USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 857 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 99 HIS : no HD1:sc= -1.87 K(o=-1.7,f=-2.9!) USER MOD Set 1.2: A 104 SER OG : rot 105:sc= 0.144 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot -170:sc= -0.104 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.249 USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= 1.29 (180deg=-0.666) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 92:sc= -0.765! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.556 K(o=-0.56,f=-2.3!) USER MOD Single : A 29 ASN : amide:sc= 1.02 K(o=1,f=-0.08) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -98:sc= -2.18 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -8.3! C(o=-8.3!,f=-9.6!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -0.0458 F(o=-0.73,f=-0.046) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.492 USER MOD Single : A 53 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.022) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.839 (180deg=-2.43!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 35:sc= 0.516 USER MOD Single : A 78 MET CE :methyl -170:sc= -0.856 (180deg=-1.22) USER MOD Single : A 80 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-0.94!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 170:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -2.97 F(o=-4.7!,f=-3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 161:sc= -0.035 (180deg=-0.335) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -79:sc= -0.472 USER MOD Single : A 103 ASN : amide:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0703 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 14.723 -4.677 -18.276 1.00 0.00 N ATOM 2 CA GLY A -6 14.531 -4.982 -19.682 1.00 0.00 C ATOM 3 C GLY A -6 15.033 -3.876 -20.589 1.00 0.00 C ATOM 4 O GLY A -6 16.213 -3.836 -20.936 1.00 0.00 O ATOM 0 H1 GLY A -6 14.364 -5.463 -17.698 1.00 0.00 H new ATOM 0 H2 GLY A -6 15.736 -4.542 -18.085 1.00 0.00 H new ATOM 0 H3 GLY A -6 14.206 -3.807 -18.036 1.00 0.00 H new ATOM 0 HA2 GLY A -6 15.050 -5.909 -19.924 1.00 0.00 H new ATOM 0 HA3 GLY A -6 13.471 -5.151 -19.873 1.00 0.00 H new ATOM 8 N SER A -5 14.134 -2.976 -20.974 1.00 0.00 N ATOM 9 CA SER A -5 14.490 -1.866 -21.851 1.00 0.00 C ATOM 10 C SER A -5 15.118 -0.725 -21.056 1.00 0.00 C ATOM 11 O SER A -5 14.676 -0.406 -19.952 1.00 0.00 O ATOM 12 CB SER A -5 13.254 -1.362 -22.599 1.00 0.00 C ATOM 13 OG SER A -5 13.533 -0.157 -23.290 1.00 0.00 O ATOM 0 H SER A -5 13.154 -2.993 -20.693 1.00 0.00 H new ATOM 0 HA SER A -5 15.221 -2.227 -22.574 1.00 0.00 H new ATOM 0 HB2 SER A -5 12.918 -2.121 -23.306 1.00 0.00 H new ATOM 0 HB3 SER A -5 12.439 -1.200 -21.894 1.00 0.00 H new ATOM 0 HG SER A -5 12.728 0.144 -23.761 1.00 0.00 H new ATOM 19 N SER A -4 16.151 -0.114 -21.626 1.00 0.00 N ATOM 20 CA SER A -4 16.844 0.989 -20.969 1.00 0.00 C ATOM 21 C SER A -4 15.856 2.065 -20.529 1.00 0.00 C ATOM 22 O SER A -4 14.816 2.264 -21.156 1.00 0.00 O ATOM 23 CB SER A -4 17.888 1.594 -21.909 1.00 0.00 C ATOM 24 OG SER A -4 18.899 2.269 -21.181 1.00 0.00 O ATOM 0 H SER A -4 16.527 -0.363 -22.541 1.00 0.00 H new ATOM 0 HA SER A -4 17.345 0.596 -20.084 1.00 0.00 H new ATOM 0 HB2 SER A -4 18.336 0.807 -22.515 1.00 0.00 H new ATOM 0 HB3 SER A -4 17.405 2.289 -22.596 1.00 0.00 H new ATOM 0 HG SER A -4 19.555 2.645 -21.804 1.00 0.00 H new ATOM 30 N GLY A -3 16.189 2.757 -19.443 1.00 0.00 N ATOM 31 CA GLY A -3 15.322 3.804 -18.936 1.00 0.00 C ATOM 32 C GLY A -3 15.669 4.207 -17.516 1.00 0.00 C ATOM 33 O GLY A -3 16.250 5.269 -17.290 1.00 0.00 O ATOM 0 H GLY A -3 17.044 2.611 -18.906 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.393 4.676 -19.586 1.00 0.00 H new ATOM 0 HA3 GLY A -3 14.287 3.463 -18.971 1.00 0.00 H new ATOM 37 N SER A -2 15.311 3.359 -16.558 1.00 0.00 N ATOM 38 CA SER A -2 15.584 3.635 -15.152 1.00 0.00 C ATOM 39 C SER A -2 16.996 4.182 -14.970 1.00 0.00 C ATOM 40 O SER A -2 17.974 3.557 -15.381 1.00 0.00 O ATOM 41 CB SER A -2 15.405 2.365 -14.317 1.00 0.00 C ATOM 42 OG SER A -2 14.047 2.180 -13.955 1.00 0.00 O ATOM 0 H SER A -2 14.831 2.475 -16.729 1.00 0.00 H new ATOM 0 HA SER A -2 14.874 4.389 -14.811 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.755 1.502 -14.883 1.00 0.00 H new ATOM 0 HB3 SER A -2 16.019 2.427 -13.419 1.00 0.00 H new ATOM 0 HG SER A -2 13.959 1.361 -13.424 1.00 0.00 H new ATOM 48 N SER A -1 17.094 5.354 -14.350 1.00 0.00 N ATOM 49 CA SER A -1 18.386 5.989 -14.116 1.00 0.00 C ATOM 50 C SER A -1 18.921 5.638 -12.731 1.00 0.00 C ATOM 51 O SER A -1 18.323 4.844 -12.005 1.00 0.00 O ATOM 52 CB SER A -1 18.265 7.508 -14.259 1.00 0.00 C ATOM 53 OG SER A -1 17.270 8.024 -13.392 1.00 0.00 O ATOM 0 H SER A -1 16.295 5.883 -14.001 1.00 0.00 H new ATOM 0 HA SER A -1 19.087 5.616 -14.862 1.00 0.00 H new ATOM 0 HB2 SER A -1 19.224 7.975 -14.036 1.00 0.00 H new ATOM 0 HB3 SER A -1 18.020 7.761 -15.290 1.00 0.00 H new ATOM 0 HG SER A -1 17.101 8.964 -13.611 1.00 0.00 H new ATOM 59 N GLY A 0 20.052 6.236 -12.371 1.00 0.00 N ATOM 60 CA GLY A 0 20.650 5.975 -11.075 1.00 0.00 C ATOM 61 C GLY A 0 20.864 7.241 -10.269 1.00 0.00 C ATOM 62 O GLY A 0 21.761 8.029 -10.565 1.00 0.00 O ATOM 0 H GLY A 0 20.565 6.897 -12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 0 20.010 5.294 -10.514 1.00 0.00 H new ATOM 0 HA3 GLY A 0 21.606 5.471 -11.215 1.00 0.00 H new ATOM 66 N MET A 1 20.036 7.438 -9.248 1.00 0.00 N ATOM 67 CA MET A 1 20.139 8.618 -8.397 1.00 0.00 C ATOM 68 C MET A 1 20.303 9.881 -9.237 1.00 0.00 C ATOM 69 O MET A 1 21.036 10.795 -8.862 1.00 0.00 O ATOM 70 CB MET A 1 21.317 8.476 -7.432 1.00 0.00 C ATOM 71 CG MET A 1 22.661 8.336 -8.130 1.00 0.00 C ATOM 72 SD MET A 1 24.047 8.358 -6.978 1.00 0.00 S ATOM 73 CE MET A 1 25.317 9.115 -7.990 1.00 0.00 C ATOM 0 H MET A 1 19.287 6.796 -8.990 1.00 0.00 H new ATOM 0 HA MET A 1 19.217 8.703 -7.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.346 9.346 -6.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.154 7.605 -6.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.678 7.404 -8.694 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.779 9.146 -8.849 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.239 9.198 -7.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.494 8.500 -8.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.992 10.108 -8.299 1.00 0.00 H new ATOM 83 N MET A 2 19.617 9.923 -10.375 1.00 0.00 N ATOM 84 CA MET A 2 19.688 11.074 -11.267 1.00 0.00 C ATOM 85 C MET A 2 18.594 12.086 -10.936 1.00 0.00 C ATOM 86 O MET A 2 18.854 13.285 -10.836 1.00 0.00 O ATOM 87 CB MET A 2 19.560 10.626 -12.724 1.00 0.00 C ATOM 88 CG MET A 2 20.894 10.306 -13.380 1.00 0.00 C ATOM 89 SD MET A 2 21.674 11.757 -14.112 1.00 0.00 S ATOM 90 CE MET A 2 23.280 11.714 -13.319 1.00 0.00 C ATOM 0 H MET A 2 19.006 9.174 -10.701 1.00 0.00 H new ATOM 0 HA MET A 2 20.657 11.553 -11.126 1.00 0.00 H new ATOM 0 HB2 MET A 2 18.921 9.744 -12.770 1.00 0.00 H new ATOM 0 HB3 MET A 2 19.062 11.410 -13.295 1.00 0.00 H new ATOM 0 HG2 MET A 2 21.565 9.873 -12.638 1.00 0.00 H new ATOM 0 HG3 MET A 2 20.743 9.551 -14.152 1.00 0.00 H new ATOM 0 HE1 MET A 2 23.882 12.552 -13.670 1.00 0.00 H new ATOM 0 HE2 MET A 2 23.154 11.785 -12.239 1.00 0.00 H new ATOM 0 HE3 MET A 2 23.782 10.778 -13.565 1.00 0.00 H new ATOM 100 N LEU A 3 17.371 11.594 -10.769 1.00 0.00 N ATOM 101 CA LEU A 3 16.238 12.456 -10.450 1.00 0.00 C ATOM 102 C LEU A 3 16.328 12.965 -9.014 1.00 0.00 C ATOM 103 O LEU A 3 16.546 12.191 -8.083 1.00 0.00 O ATOM 104 CB LEU A 3 14.924 11.699 -10.653 1.00 0.00 C ATOM 105 CG LEU A 3 13.706 12.553 -11.008 1.00 0.00 C ATOM 106 CD1 LEU A 3 12.732 11.762 -11.867 1.00 0.00 C ATOM 107 CD2 LEU A 3 13.021 13.055 -9.745 1.00 0.00 C ATOM 0 H LEU A 3 17.139 10.604 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 3 16.265 13.314 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 3 15.070 10.963 -11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.702 11.146 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 3 14.045 13.416 -11.581 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.872 12.386 -12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 3 13.227 11.452 -12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.398 10.880 -11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.156 13.661 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.695 12.205 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.721 13.659 -9.167 1.00 0.00 H new ATOM 119 N GLY A 4 16.156 14.272 -8.844 1.00 0.00 N ATOM 120 CA GLY A 4 16.220 14.862 -7.519 1.00 0.00 C ATOM 121 C GLY A 4 17.632 14.904 -6.970 1.00 0.00 C ATOM 122 O GLY A 4 18.608 14.710 -7.694 1.00 0.00 O ATOM 0 H GLY A 4 15.974 14.933 -9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.818 15.874 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.586 14.292 -6.840 1.00 0.00 H new ATOM 126 N PRO A 5 17.754 15.164 -5.660 1.00 0.00 N ATOM 127 CA PRO A 5 19.053 15.237 -4.985 1.00 0.00 C ATOM 128 C PRO A 5 19.729 13.875 -4.878 1.00 0.00 C ATOM 129 O PRO A 5 19.223 12.879 -5.394 1.00 0.00 O ATOM 130 CB PRO A 5 18.701 15.771 -3.594 1.00 0.00 C ATOM 131 CG PRO A 5 17.283 15.365 -3.381 1.00 0.00 C ATOM 132 CD PRO A 5 16.633 15.405 -4.736 1.00 0.00 C ATOM 0 HA PRO A 5 19.760 15.862 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.353 15.347 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.815 16.854 -3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.224 14.366 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.783 16.042 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.861 14.642 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.156 16.367 -4.925 1.00 0.00 H new ATOM 140 N GLU A 6 20.874 13.838 -4.203 1.00 0.00 N ATOM 141 CA GLU A 6 21.618 12.597 -4.029 1.00 0.00 C ATOM 142 C GLU A 6 20.678 11.441 -3.700 1.00 0.00 C ATOM 143 O GLU A 6 20.255 11.276 -2.557 1.00 0.00 O ATOM 144 CB GLU A 6 22.661 12.752 -2.920 1.00 0.00 C ATOM 145 CG GLU A 6 23.533 11.523 -2.728 1.00 0.00 C ATOM 146 CD GLU A 6 22.846 10.440 -1.921 1.00 0.00 C ATOM 147 OE1 GLU A 6 22.492 10.705 -0.753 1.00 0.00 O ATOM 148 OE2 GLU A 6 22.662 9.326 -2.455 1.00 0.00 O ATOM 0 H GLU A 6 21.306 14.653 -3.768 1.00 0.00 H new ATOM 0 HA GLU A 6 22.126 12.374 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 6 23.298 13.607 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 6 22.152 12.976 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 6 23.810 11.123 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 6 24.457 11.813 -2.228 1.00 0.00 H new ATOM 155 N GLY A 7 20.355 10.641 -4.713 1.00 0.00 N ATOM 156 CA GLY A 7 19.467 9.511 -4.512 1.00 0.00 C ATOM 157 C GLY A 7 18.278 9.857 -3.637 1.00 0.00 C ATOM 158 O GLY A 7 17.969 9.139 -2.686 1.00 0.00 O ATOM 0 H GLY A 7 20.693 10.756 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.111 9.156 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.023 8.692 -4.056 1.00 0.00 H new ATOM 162 N GLY A 8 17.610 10.961 -3.957 1.00 0.00 N ATOM 163 CA GLY A 8 16.457 11.381 -3.182 1.00 0.00 C ATOM 164 C GLY A 8 15.457 10.261 -2.976 1.00 0.00 C ATOM 165 O GLY A 8 15.013 10.016 -1.855 1.00 0.00 O ATOM 0 H GLY A 8 17.847 11.572 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.790 11.749 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.967 12.213 -3.688 1.00 0.00 H new ATOM 169 N GLU A 9 15.101 9.581 -4.062 1.00 0.00 N ATOM 170 CA GLU A 9 14.144 8.483 -3.994 1.00 0.00 C ATOM 171 C GLU A 9 14.708 7.319 -3.185 1.00 0.00 C ATOM 172 O GLU A 9 15.870 7.335 -2.781 1.00 0.00 O ATOM 173 CB GLU A 9 13.777 8.009 -5.402 1.00 0.00 C ATOM 174 CG GLU A 9 14.932 7.359 -6.146 1.00 0.00 C ATOM 175 CD GLU A 9 14.731 7.358 -7.649 1.00 0.00 C ATOM 176 OE1 GLU A 9 13.568 7.462 -8.091 1.00 0.00 O ATOM 177 OE2 GLU A 9 15.736 7.252 -8.382 1.00 0.00 O ATOM 0 H GLU A 9 15.460 9.771 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 9 13.246 8.848 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.954 7.298 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.416 8.860 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.856 7.886 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.052 6.333 -5.799 1.00 0.00 H new ATOM 184 N GLY A 10 13.876 6.309 -2.952 1.00 0.00 N ATOM 185 CA GLY A 10 14.308 5.151 -2.192 1.00 0.00 C ATOM 186 C GLY A 10 13.590 3.882 -2.608 1.00 0.00 C ATOM 187 O GLY A 10 12.598 3.933 -3.336 1.00 0.00 O ATOM 0 H GLY A 10 12.910 6.272 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.382 5.016 -2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.135 5.331 -1.131 1.00 0.00 H new ATOM 191 N TYR A 11 14.093 2.742 -2.148 1.00 0.00 N ATOM 192 CA TYR A 11 13.495 1.454 -2.481 1.00 0.00 C ATOM 193 C TYR A 11 12.059 1.372 -1.972 1.00 0.00 C ATOM 194 O TYR A 11 11.820 1.210 -0.775 1.00 0.00 O ATOM 195 CB TYR A 11 14.324 0.315 -1.886 1.00 0.00 C ATOM 196 CG TYR A 11 15.796 0.397 -2.224 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.221 0.493 -3.543 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.760 0.377 -1.224 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.565 0.567 -3.857 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.106 0.453 -1.529 1.00 0.00 C ATOM 201 CZ TYR A 11 18.503 0.547 -2.846 1.00 0.00 C ATOM 202 OH TYR A 11 19.842 0.621 -3.153 1.00 0.00 O ATOM 0 H TYR A 11 14.913 2.683 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 11 13.483 1.358 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.208 0.320 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.930 -0.636 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.489 0.510 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.453 0.301 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.879 0.640 -4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.843 0.439 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 11 20.369 0.596 -2.327 1.00 0.00 H new ATOM 212 N VAL A 12 11.105 1.485 -2.891 1.00 0.00 N ATOM 213 CA VAL A 12 9.692 1.422 -2.538 1.00 0.00 C ATOM 214 C VAL A 12 8.904 0.616 -3.564 1.00 0.00 C ATOM 215 O VAL A 12 9.284 0.539 -4.733 1.00 0.00 O ATOM 216 CB VAL A 12 9.078 2.831 -2.426 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.591 2.742 -2.118 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.804 3.645 -1.366 1.00 0.00 C ATOM 0 H VAL A 12 11.285 1.621 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 12 9.630 0.928 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 12 9.196 3.338 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.174 3.746 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.086 2.199 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.446 2.217 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.358 4.637 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.719 3.144 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.856 3.738 -1.636 1.00 0.00 H new ATOM 228 N VAL A 13 7.804 0.017 -3.120 1.00 0.00 N ATOM 229 CA VAL A 13 6.961 -0.783 -4.000 1.00 0.00 C ATOM 230 C VAL A 13 5.483 -0.546 -3.709 1.00 0.00 C ATOM 231 O VAL A 13 5.082 -0.393 -2.555 1.00 0.00 O ATOM 232 CB VAL A 13 7.266 -2.286 -3.858 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.651 -2.603 -4.403 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.145 -2.718 -2.404 1.00 0.00 C ATOM 0 H VAL A 13 7.476 0.071 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 13 7.183 -0.470 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 13 6.535 -2.845 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.849 -3.669 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.698 -2.331 -5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.399 -2.036 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.364 -3.783 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.853 -2.154 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.132 -2.527 -2.051 1.00 0.00 H new ATOM 244 N LYS A 14 4.675 -0.518 -4.764 1.00 0.00 N ATOM 245 CA LYS A 14 3.240 -0.302 -4.624 1.00 0.00 C ATOM 246 C LYS A 14 2.466 -1.585 -4.910 1.00 0.00 C ATOM 247 O LYS A 14 2.595 -2.173 -5.985 1.00 0.00 O ATOM 248 CB LYS A 14 2.776 0.808 -5.569 1.00 0.00 C ATOM 249 CG LYS A 14 1.266 0.892 -5.714 1.00 0.00 C ATOM 250 CD LYS A 14 0.867 1.650 -6.969 1.00 0.00 C ATOM 251 CE LYS A 14 0.982 3.153 -6.772 1.00 0.00 C ATOM 252 NZ LYS A 14 2.325 3.663 -7.164 1.00 0.00 N ATOM 0 H LYS A 14 4.990 -0.642 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 14 3.042 -0.001 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.151 1.764 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.218 0.645 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.846 -0.113 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.843 1.386 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.502 1.341 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.158 1.395 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.216 3.656 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.791 3.398 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.793 4.081 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.902 2.878 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.219 4.387 -7.904 1.00 0.00 H new ATOM 266 N LEU A 15 1.661 -2.013 -3.944 1.00 0.00 N ATOM 267 CA LEU A 15 0.865 -3.226 -4.093 1.00 0.00 C ATOM 268 C LEU A 15 -0.585 -2.888 -4.426 1.00 0.00 C ATOM 269 O LEU A 15 -1.195 -2.029 -3.789 1.00 0.00 O ATOM 270 CB LEU A 15 0.925 -4.060 -2.812 1.00 0.00 C ATOM 271 CG LEU A 15 2.319 -4.494 -2.358 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.275 -5.027 -0.935 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.885 -5.542 -3.305 1.00 0.00 C ATOM 0 H LEU A 15 1.542 -1.538 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 15 1.282 -3.806 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.465 -3.487 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.317 -4.953 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 15 2.974 -3.623 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.276 -5.331 -0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.912 -4.247 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.605 -5.886 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.878 -5.840 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.230 -6.413 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.954 -5.125 -4.310 1.00 0.00 H new ATOM 285 N ARG A 16 -1.131 -3.570 -5.427 1.00 0.00 N ATOM 286 CA ARG A 16 -2.510 -3.343 -5.844 1.00 0.00 C ATOM 287 C ARG A 16 -3.322 -4.632 -5.763 1.00 0.00 C ATOM 288 O ARG A 16 -2.766 -5.730 -5.771 1.00 0.00 O ATOM 289 CB ARG A 16 -2.549 -2.792 -7.271 1.00 0.00 C ATOM 290 CG ARG A 16 -3.923 -2.302 -7.697 1.00 0.00 C ATOM 291 CD ARG A 16 -3.826 -1.255 -8.795 1.00 0.00 C ATOM 292 NE ARG A 16 -3.090 -0.072 -8.360 1.00 0.00 N ATOM 293 CZ ARG A 16 -3.202 1.118 -8.940 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.018 1.282 -9.972 1.00 0.00 N ATOM 295 NH2 ARG A 16 -2.499 2.148 -8.486 1.00 0.00 N ATOM 0 H ARG A 16 -0.640 -4.284 -5.965 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.952 -2.612 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.838 -1.970 -7.354 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.220 -3.569 -7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.518 -3.145 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.443 -1.881 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.334 -1.688 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.829 -0.963 -9.107 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.455 -0.164 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.562 0.493 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.102 2.197 -10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.872 2.027 -7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.586 3.061 -8.932 1.00 0.00 H new ATOM 309 N GLY A 17 -4.642 -4.491 -5.685 1.00 0.00 N ATOM 310 CA GLY A 17 -5.509 -5.652 -5.603 1.00 0.00 C ATOM 311 C GLY A 17 -5.608 -6.202 -4.194 1.00 0.00 C ATOM 312 O GLY A 17 -6.084 -7.320 -3.988 1.00 0.00 O ATOM 0 H GLY A 17 -5.126 -3.593 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.505 -5.384 -5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.134 -6.430 -6.268 1.00 0.00 H new ATOM 316 N LEU A 18 -5.158 -5.418 -3.221 1.00 0.00 N ATOM 317 CA LEU A 18 -5.197 -5.834 -1.823 1.00 0.00 C ATOM 318 C LEU A 18 -6.626 -5.813 -1.289 1.00 0.00 C ATOM 319 O LEU A 18 -7.444 -4.975 -1.668 1.00 0.00 O ATOM 320 CB LEU A 18 -4.309 -4.922 -0.974 1.00 0.00 C ATOM 321 CG LEU A 18 -2.814 -4.957 -1.292 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.113 -3.748 -0.693 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.190 -6.246 -0.778 1.00 0.00 C ATOM 0 H LEU A 18 -4.762 -4.491 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.821 -6.855 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.661 -3.897 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.444 -5.190 0.074 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.691 -4.923 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.050 -3.790 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.542 -2.836 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.244 -3.750 0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.126 -6.254 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.324 -6.310 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.673 -7.099 -1.254 1.00 0.00 H new ATOM 335 N PRO A 19 -6.933 -6.755 -0.385 1.00 0.00 N ATOM 336 CA PRO A 19 -8.263 -6.864 0.224 1.00 0.00 C ATOM 337 C PRO A 19 -8.560 -5.712 1.178 1.00 0.00 C ATOM 338 O PRO A 19 -7.653 -5.163 1.805 1.00 0.00 O ATOM 339 CB PRO A 19 -8.195 -8.188 0.989 1.00 0.00 C ATOM 340 CG PRO A 19 -6.747 -8.385 1.278 1.00 0.00 C ATOM 341 CD PRO A 19 -6.007 -7.785 0.114 1.00 0.00 C ATOM 0 HA PRO A 19 -9.057 -6.827 -0.522 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.780 -8.145 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.595 -9.009 0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.466 -7.898 2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.511 -9.444 1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.055 -7.354 0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.787 -8.531 -0.650 1.00 0.00 H new ATOM 349 N TRP A 20 -9.833 -5.350 1.283 1.00 0.00 N ATOM 350 CA TRP A 20 -10.249 -4.263 2.161 1.00 0.00 C ATOM 351 C TRP A 20 -9.916 -4.580 3.615 1.00 0.00 C ATOM 352 O TRP A 20 -10.034 -3.722 4.490 1.00 0.00 O ATOM 353 CB TRP A 20 -11.750 -4.006 2.014 1.00 0.00 C ATOM 354 CG TRP A 20 -12.102 -3.235 0.778 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.344 -3.104 -0.351 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.300 -2.486 0.547 1.00 0.00 C ATOM 357 NE1 TRP A 20 -11.999 -2.320 -1.269 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.201 -1.929 -0.743 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.448 -2.234 1.303 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.206 -1.135 -1.289 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.444 -1.446 0.760 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.319 -0.904 -0.527 1.00 0.00 C ATOM 0 H TRP A 20 -10.595 -5.793 0.771 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.704 -3.365 1.869 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.275 -4.961 2.000 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.105 -3.460 2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.372 -3.551 -0.500 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.647 -2.070 -2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.555 -2.648 2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.110 -0.716 -2.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.334 -1.244 1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.116 -0.293 -0.924 1.00 0.00 H new ATOM 373 N SER A 21 -9.498 -5.817 3.866 1.00 0.00 N ATOM 374 CA SER A 21 -9.151 -6.247 5.215 1.00 0.00 C ATOM 375 C SER A 21 -7.661 -6.559 5.319 1.00 0.00 C ATOM 376 O SER A 21 -7.220 -7.234 6.250 1.00 0.00 O ATOM 377 CB SER A 21 -9.969 -7.479 5.607 1.00 0.00 C ATOM 378 OG SER A 21 -10.188 -7.522 7.006 1.00 0.00 O ATOM 0 H SER A 21 -9.392 -6.538 3.153 1.00 0.00 H new ATOM 0 HA SER A 21 -9.383 -5.432 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.926 -7.464 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.447 -8.382 5.290 1.00 0.00 H new ATOM 0 HG SER A 21 -10.714 -8.318 7.230 1.00 0.00 H new ATOM 384 N CYS A 22 -6.890 -6.062 4.358 1.00 0.00 N ATOM 385 CA CYS A 22 -5.449 -6.287 4.339 1.00 0.00 C ATOM 386 C CYS A 22 -4.774 -5.579 5.510 1.00 0.00 C ATOM 387 O CYS A 22 -5.072 -4.422 5.804 1.00 0.00 O ATOM 388 CB CYS A 22 -4.853 -5.798 3.019 1.00 0.00 C ATOM 389 SG CYS A 22 -3.162 -6.366 2.718 1.00 0.00 S ATOM 0 H CYS A 22 -7.239 -5.500 3.581 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.271 -7.358 4.434 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.489 -6.133 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.866 -4.708 3.008 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.191 -7.476 2.043 1.00 0.00 H new ATOM 395 N SER A 23 -3.863 -6.283 6.174 1.00 0.00 N ATOM 396 CA SER A 23 -3.149 -5.725 7.316 1.00 0.00 C ATOM 397 C SER A 23 -1.640 -5.813 7.109 1.00 0.00 C ATOM 398 O SER A 23 -1.150 -6.693 6.400 1.00 0.00 O ATOM 399 CB SER A 23 -3.543 -6.458 8.600 1.00 0.00 C ATOM 400 OG SER A 23 -4.832 -6.065 9.037 1.00 0.00 O ATOM 0 H SER A 23 -3.602 -7.241 5.941 1.00 0.00 H new ATOM 0 HA SER A 23 -3.425 -4.675 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.527 -7.534 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.812 -6.249 9.381 1.00 0.00 H new ATOM 0 HG SER A 23 -5.061 -6.549 9.858 1.00 0.00 H new ATOM 406 N ILE A 24 -0.909 -4.896 7.733 1.00 0.00 N ATOM 407 CA ILE A 24 0.544 -4.870 7.618 1.00 0.00 C ATOM 408 C ILE A 24 1.120 -6.282 7.616 1.00 0.00 C ATOM 409 O ILE A 24 2.001 -6.602 6.819 1.00 0.00 O ATOM 410 CB ILE A 24 1.185 -4.068 8.766 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.717 -2.612 8.722 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.702 -4.145 8.683 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.137 -1.806 9.932 1.00 0.00 C ATOM 0 H ILE A 24 -1.299 -4.161 8.323 1.00 0.00 H new ATOM 0 HA ILE A 24 0.777 -4.383 6.671 1.00 0.00 H new ATOM 0 HB ILE A 24 0.870 -4.503 9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.114 -2.138 7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.370 -2.590 8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.141 -3.573 9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.018 -5.186 8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.036 -3.731 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.771 -0.784 9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.718 -2.256 10.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.225 -1.797 10.003 1.00 0.00 H new ATOM 425 N GLU A 25 0.616 -7.122 8.515 1.00 0.00 N ATOM 426 CA GLU A 25 1.081 -8.501 8.615 1.00 0.00 C ATOM 427 C GLU A 25 1.031 -9.193 7.256 1.00 0.00 C ATOM 428 O GLU A 25 2.015 -9.784 6.812 1.00 0.00 O ATOM 429 CB GLU A 25 0.232 -9.276 9.626 1.00 0.00 C ATOM 430 CG GLU A 25 0.727 -9.154 11.057 1.00 0.00 C ATOM 431 CD GLU A 25 -0.351 -9.466 12.076 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.691 -10.657 12.236 1.00 0.00 O ATOM 433 OE2 GLU A 25 -0.856 -8.519 12.714 1.00 0.00 O ATOM 0 H GLU A 25 -0.113 -6.872 9.183 1.00 0.00 H new ATOM 0 HA GLU A 25 2.116 -8.485 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.796 -8.918 9.574 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.217 -10.329 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.569 -9.831 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.098 -8.143 11.224 1.00 0.00 H new ATOM 440 N ASP A 26 -0.123 -9.115 6.601 1.00 0.00 N ATOM 441 CA ASP A 26 -0.302 -9.732 5.292 1.00 0.00 C ATOM 442 C ASP A 26 0.739 -9.219 4.302 1.00 0.00 C ATOM 443 O ASP A 26 1.224 -9.966 3.453 1.00 0.00 O ATOM 444 CB ASP A 26 -1.709 -9.454 4.762 1.00 0.00 C ATOM 445 CG ASP A 26 -2.731 -10.447 5.281 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.604 -11.648 4.962 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.657 -10.024 6.004 1.00 0.00 O ATOM 0 H ASP A 26 -0.948 -8.631 6.955 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.170 -10.808 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.009 -8.446 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.696 -9.486 3.673 1.00 0.00 H new ATOM 452 N VAL A 27 1.077 -7.939 4.417 1.00 0.00 N ATOM 453 CA VAL A 27 2.060 -7.325 3.532 1.00 0.00 C ATOM 454 C VAL A 27 3.463 -7.846 3.824 1.00 0.00 C ATOM 455 O VAL A 27 4.188 -8.246 2.914 1.00 0.00 O ATOM 456 CB VAL A 27 2.055 -5.791 3.666 1.00 0.00 C ATOM 457 CG1 VAL A 27 3.020 -5.165 2.670 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.649 -5.244 3.474 1.00 0.00 C ATOM 0 H VAL A 27 0.685 -7.307 5.115 1.00 0.00 H new ATOM 0 HA VAL A 27 1.781 -7.594 2.513 1.00 0.00 H new ATOM 0 HB VAL A 27 2.387 -5.530 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.003 -4.081 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.028 -5.533 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.721 -5.432 1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.664 -4.159 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.286 -5.514 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.012 -5.667 4.230 1.00 0.00 H new ATOM 468 N GLN A 28 3.837 -7.838 5.099 1.00 0.00 N ATOM 469 CA GLN A 28 5.154 -8.309 5.511 1.00 0.00 C ATOM 470 C GLN A 28 5.395 -9.737 5.033 1.00 0.00 C ATOM 471 O GLN A 28 6.442 -10.043 4.464 1.00 0.00 O ATOM 472 CB GLN A 28 5.292 -8.238 7.033 1.00 0.00 C ATOM 473 CG GLN A 28 5.222 -6.824 7.585 1.00 0.00 C ATOM 474 CD GLN A 28 5.226 -6.788 9.100 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.214 -7.070 9.743 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.369 -6.440 9.681 1.00 0.00 N ATOM 0 H GLN A 28 3.247 -7.511 5.864 1.00 0.00 H new ATOM 0 HA GLN A 28 5.903 -7.661 5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.504 -8.837 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.242 -8.686 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.069 -6.249 7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.318 -6.338 7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.183 -6.214 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.432 -6.399 10.698 1.00 0.00 H new ATOM 485 N ASN A 29 4.418 -10.607 5.268 1.00 0.00 N ATOM 486 CA ASN A 29 4.525 -12.004 4.862 1.00 0.00 C ATOM 487 C ASN A 29 4.530 -12.130 3.341 1.00 0.00 C ATOM 488 O ASN A 29 5.277 -12.928 2.776 1.00 0.00 O ATOM 489 CB ASN A 29 3.369 -12.817 5.448 1.00 0.00 C ATOM 490 CG ASN A 29 3.503 -13.014 6.946 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.270 -13.861 7.406 1.00 0.00 O ATOM 492 ND2 ASN A 29 2.754 -12.232 7.715 1.00 0.00 N ATOM 0 H ASN A 29 3.544 -10.370 5.737 1.00 0.00 H new ATOM 0 HA ASN A 29 5.467 -12.396 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.427 -12.312 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.328 -13.790 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.800 -12.320 8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.132 -11.544 7.290 1.00 0.00 H new ATOM 499 N PHE A 30 3.690 -11.335 2.685 1.00 0.00 N ATOM 500 CA PHE A 30 3.597 -11.357 1.230 1.00 0.00 C ATOM 501 C PHE A 30 4.955 -11.079 0.593 1.00 0.00 C ATOM 502 O PHE A 30 5.439 -11.857 -0.230 1.00 0.00 O ATOM 503 CB PHE A 30 2.574 -10.326 0.748 1.00 0.00 C ATOM 504 CG PHE A 30 2.454 -10.256 -0.748 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.450 -9.666 -1.510 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.344 -10.779 -1.392 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.341 -9.599 -2.886 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.230 -10.716 -2.768 1.00 0.00 C ATOM 509 CZ PHE A 30 2.230 -10.126 -3.516 1.00 0.00 C ATOM 0 H PHE A 30 3.065 -10.668 3.138 1.00 0.00 H new ATOM 0 HA PHE A 30 3.271 -12.352 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.599 -10.567 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.853 -9.343 1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.321 -9.254 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.559 -11.241 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.123 -9.135 -3.468 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.360 -11.128 -3.258 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.144 -10.077 -4.591 1.00 0.00 H new ATOM 519 N LEU A 31 5.566 -9.964 0.980 1.00 0.00 N ATOM 520 CA LEU A 31 6.869 -9.581 0.447 1.00 0.00 C ATOM 521 C LEU A 31 7.995 -10.160 1.297 1.00 0.00 C ATOM 522 O LEU A 31 8.990 -9.487 1.569 1.00 0.00 O ATOM 523 CB LEU A 31 6.990 -8.057 0.389 1.00 0.00 C ATOM 524 CG LEU A 31 6.008 -7.341 -0.539 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.213 -5.835 -0.473 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.163 -7.840 -1.968 1.00 0.00 C ATOM 0 H LEU A 31 5.180 -9.310 1.661 1.00 0.00 H new ATOM 0 HA LEU A 31 6.955 -9.985 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.859 -7.663 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.004 -7.805 0.077 1.00 0.00 H new ATOM 0 HG LEU A 31 4.995 -7.564 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.506 -5.342 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.050 -5.490 0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.230 -5.592 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.456 -7.319 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.179 -7.648 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.965 -8.911 -2.003 1.00 0.00 H new ATOM 538 N SER A 32 7.834 -11.412 1.712 1.00 0.00 N ATOM 539 CA SER A 32 8.837 -12.082 2.532 1.00 0.00 C ATOM 540 C SER A 32 10.197 -12.070 1.842 1.00 0.00 C ATOM 541 O SER A 32 11.203 -11.680 2.436 1.00 0.00 O ATOM 542 CB SER A 32 8.410 -13.522 2.821 1.00 0.00 C ATOM 543 OG SER A 32 9.259 -14.121 3.785 1.00 0.00 O ATOM 0 H SER A 32 7.018 -11.984 1.494 1.00 0.00 H new ATOM 0 HA SER A 32 8.923 -11.541 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.381 -13.535 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.433 -14.104 1.899 1.00 0.00 H new ATOM 0 HG SER A 32 8.965 -15.040 3.954 1.00 0.00 H new ATOM 549 N ASP A 33 10.221 -12.501 0.586 1.00 0.00 N ATOM 550 CA ASP A 33 11.457 -12.541 -0.186 1.00 0.00 C ATOM 551 C ASP A 33 12.188 -11.204 -0.110 1.00 0.00 C ATOM 552 O ASP A 33 13.392 -11.129 -0.357 1.00 0.00 O ATOM 553 CB ASP A 33 11.161 -12.892 -1.645 1.00 0.00 C ATOM 554 CG ASP A 33 10.493 -14.245 -1.791 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.838 -14.691 -0.825 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.624 -14.857 -2.871 1.00 0.00 O ATOM 0 H ASP A 33 9.398 -12.828 0.080 1.00 0.00 H new ATOM 0 HA ASP A 33 12.099 -13.311 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.519 -12.125 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.091 -12.886 -2.213 1.00 0.00 H new ATOM 561 N CYS A 34 11.452 -10.152 0.232 1.00 0.00 N ATOM 562 CA CYS A 34 12.030 -8.817 0.338 1.00 0.00 C ATOM 563 C CYS A 34 12.252 -8.436 1.798 1.00 0.00 C ATOM 564 O CYS A 34 11.663 -9.028 2.703 1.00 0.00 O ATOM 565 CB CYS A 34 11.120 -7.789 -0.337 1.00 0.00 C ATOM 566 SG CYS A 34 10.800 -8.123 -2.085 1.00 0.00 S ATOM 0 H CYS A 34 10.455 -10.198 0.440 1.00 0.00 H new ATOM 0 HA CYS A 34 12.995 -8.824 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.170 -7.756 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.573 -6.802 -0.244 1.00 0.00 H new ATOM 0 HG CYS A 34 11.594 -7.399 -2.817 1.00 0.00 H new ATOM 572 N THR A 35 13.108 -7.443 2.022 1.00 0.00 N ATOM 573 CA THR A 35 13.411 -6.984 3.372 1.00 0.00 C ATOM 574 C THR A 35 12.831 -5.597 3.624 1.00 0.00 C ATOM 575 O THR A 35 13.522 -4.589 3.475 1.00 0.00 O ATOM 576 CB THR A 35 14.930 -6.947 3.625 1.00 0.00 C ATOM 577 OG1 THR A 35 15.488 -8.254 3.447 1.00 0.00 O ATOM 578 CG2 THR A 35 15.232 -6.448 5.030 1.00 0.00 C ATOM 0 H THR A 35 13.604 -6.941 1.285 1.00 0.00 H new ATOM 0 HA THR A 35 12.953 -7.696 4.058 1.00 0.00 H new ATOM 0 HB THR A 35 15.379 -6.260 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.454 -8.222 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.311 -6.430 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.831 -5.442 5.153 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.771 -7.114 5.760 1.00 0.00 H new ATOM 586 N ILE A 36 11.560 -5.553 4.008 1.00 0.00 N ATOM 587 CA ILE A 36 10.889 -4.288 4.282 1.00 0.00 C ATOM 588 C ILE A 36 11.670 -3.461 5.297 1.00 0.00 C ATOM 589 O ILE A 36 12.073 -3.964 6.346 1.00 0.00 O ATOM 590 CB ILE A 36 9.459 -4.513 4.811 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.607 -5.219 3.754 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.828 -3.187 5.209 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.345 -5.839 4.312 1.00 0.00 C ATOM 0 H ILE A 36 10.974 -6.378 4.136 1.00 0.00 H new ATOM 0 HA ILE A 36 10.838 -3.746 3.338 1.00 0.00 H new ATOM 0 HB ILE A 36 9.509 -5.149 5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.338 -4.503 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.204 -5.996 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.818 -3.362 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.427 -2.719 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.786 -2.529 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.790 -6.322 3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.607 -6.580 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.727 -5.063 4.764 1.00 0.00 H new ATOM 605 N HIS A 37 11.878 -2.187 4.979 1.00 0.00 N ATOM 606 CA HIS A 37 12.609 -1.288 5.865 1.00 0.00 C ATOM 607 C HIS A 37 11.745 -0.874 7.053 1.00 0.00 C ATOM 608 O HIS A 37 10.621 -0.403 6.881 1.00 0.00 O ATOM 609 CB HIS A 37 13.071 -0.048 5.099 1.00 0.00 C ATOM 610 CG HIS A 37 13.330 1.137 5.978 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.570 1.422 6.510 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.501 2.113 6.416 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.492 2.522 7.239 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.247 2.961 7.198 1.00 0.00 N ATOM 0 H HIS A 37 11.551 -1.754 4.115 1.00 0.00 H new ATOM 0 HA HIS A 37 13.483 -1.820 6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.981 -0.289 4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.314 0.216 4.361 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.449 2.208 6.192 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.307 2.983 7.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.896 3.794 7.670 1.00 0.00 H new ATOM 623 N ASP A 38 12.277 -1.054 8.256 1.00 0.00 N ATOM 624 CA ASP A 38 11.555 -0.699 9.473 1.00 0.00 C ATOM 625 C ASP A 38 10.292 -1.541 9.619 1.00 0.00 C ATOM 626 O ASP A 38 9.332 -1.130 10.271 1.00 0.00 O ATOM 627 CB ASP A 38 11.195 0.787 9.462 1.00 0.00 C ATOM 628 CG ASP A 38 12.418 1.679 9.387 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.525 1.151 9.151 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.269 2.906 9.565 1.00 0.00 O ATOM 0 H ASP A 38 13.206 -1.444 8.415 1.00 0.00 H new ATOM 0 HA ASP A 38 12.205 -0.900 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.545 0.994 8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.629 1.027 10.362 1.00 0.00 H new ATOM 635 N GLY A 39 10.299 -2.722 9.008 1.00 0.00 N ATOM 636 CA GLY A 39 9.147 -3.602 9.082 1.00 0.00 C ATOM 637 C GLY A 39 7.836 -2.843 9.078 1.00 0.00 C ATOM 638 O GLY A 39 7.616 -1.971 8.237 1.00 0.00 O ATOM 0 H GLY A 39 11.081 -3.085 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.166 -4.292 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.212 -4.204 9.988 1.00 0.00 H new ATOM 642 N VAL A 40 6.959 -3.174 10.021 1.00 0.00 N ATOM 643 CA VAL A 40 5.661 -2.518 10.124 1.00 0.00 C ATOM 644 C VAL A 40 5.786 -1.015 9.895 1.00 0.00 C ATOM 645 O VAL A 40 4.876 -0.381 9.363 1.00 0.00 O ATOM 646 CB VAL A 40 5.015 -2.764 11.500 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.709 -4.242 11.689 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.917 -2.252 12.612 1.00 0.00 C ATOM 0 H VAL A 40 7.124 -3.893 10.725 1.00 0.00 H new ATOM 0 HA VAL A 40 5.026 -2.950 9.351 1.00 0.00 H new ATOM 0 HB VAL A 40 4.075 -2.214 11.544 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.253 -4.397 12.667 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.021 -4.574 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.633 -4.816 11.625 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.444 -2.434 13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.874 -2.772 12.573 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.080 -1.182 12.484 1.00 0.00 H new ATOM 658 N ALA A 41 6.920 -0.453 10.300 1.00 0.00 N ATOM 659 CA ALA A 41 7.165 0.975 10.137 1.00 0.00 C ATOM 660 C ALA A 41 7.657 1.290 8.729 1.00 0.00 C ATOM 661 O ALA A 41 8.317 2.303 8.503 1.00 0.00 O ATOM 662 CB ALA A 41 8.171 1.459 11.171 1.00 0.00 C ATOM 0 H ALA A 41 7.683 -0.964 10.743 1.00 0.00 H new ATOM 0 HA ALA A 41 6.222 1.500 10.290 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.345 2.527 11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.780 1.277 12.172 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.110 0.920 11.045 1.00 0.00 H new ATOM 668 N GLY A 42 7.331 0.414 7.783 1.00 0.00 N ATOM 669 CA GLY A 42 7.749 0.617 6.408 1.00 0.00 C ATOM 670 C GLY A 42 6.606 0.455 5.425 1.00 0.00 C ATOM 671 O GLY A 42 6.674 0.944 4.297 1.00 0.00 O ATOM 0 H GLY A 42 6.785 -0.432 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.175 1.615 6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.539 -0.093 6.163 1.00 0.00 H new ATOM 675 N VAL A 43 5.553 -0.235 5.852 1.00 0.00 N ATOM 676 CA VAL A 43 4.391 -0.460 5.001 1.00 0.00 C ATOM 677 C VAL A 43 3.376 0.668 5.147 1.00 0.00 C ATOM 678 O VAL A 43 2.909 0.959 6.248 1.00 0.00 O ATOM 679 CB VAL A 43 3.705 -1.799 5.332 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.474 -1.998 4.460 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.681 -2.954 5.163 1.00 0.00 C ATOM 0 H VAL A 43 5.481 -0.648 6.782 1.00 0.00 H new ATOM 0 HA VAL A 43 4.752 -0.489 3.973 1.00 0.00 H new ATOM 0 HB VAL A 43 3.383 -1.775 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.002 -2.949 4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.768 -1.186 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.768 -2.002 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.179 -3.892 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.035 -2.983 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.529 -2.815 5.834 1.00 0.00 H new ATOM 691 N HIS A 44 3.038 1.301 4.027 1.00 0.00 N ATOM 692 CA HIS A 44 2.077 2.397 4.029 1.00 0.00 C ATOM 693 C HIS A 44 0.856 2.051 3.183 1.00 0.00 C ATOM 694 O HIS A 44 0.974 1.773 1.989 1.00 0.00 O ATOM 695 CB HIS A 44 2.730 3.677 3.505 1.00 0.00 C ATOM 696 CG HIS A 44 4.053 3.977 4.138 1.00 0.00 C ATOM 697 ND1 HIS A 44 5.275 3.431 3.935 1.00 0.00 N flip ATOM 698 CD2 HIS A 44 4.222 4.942 5.107 1.00 0.00 C flip ATOM 699 CE1 HIS A 44 6.152 4.070 4.777 1.00 0.00 C flip ATOM 700 NE2 HIS A 44 5.491 4.978 5.473 1.00 0.00 N flip ATOM 0 H HIS A 44 3.416 1.073 3.107 1.00 0.00 H new ATOM 0 HA HIS A 44 1.750 2.559 5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.864 3.592 2.427 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.056 4.516 3.677 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.502 2.684 3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 44 3.439 5.571 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 44 7.209 3.864 4.857 1.00 0.00 H new ATOM 709 N PHE A 45 -0.317 2.069 3.809 1.00 0.00 N ATOM 710 CA PHE A 45 -1.559 1.755 3.113 1.00 0.00 C ATOM 711 C PHE A 45 -2.209 3.021 2.563 1.00 0.00 C ATOM 712 O PHE A 45 -2.003 4.116 3.087 1.00 0.00 O ATOM 713 CB PHE A 45 -2.529 1.039 4.055 1.00 0.00 C ATOM 714 CG PHE A 45 -2.210 -0.415 4.252 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.449 -1.333 3.241 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.672 -0.865 5.447 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.156 -2.672 3.418 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.377 -2.203 5.629 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.620 -3.108 4.614 1.00 0.00 C ATOM 0 H PHE A 45 -0.433 2.298 4.796 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.322 1.097 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.519 1.539 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.541 1.130 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.869 -0.998 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.481 -0.163 6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.346 -3.377 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.957 -2.541 6.565 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.391 -4.154 4.755 1.00 0.00 H new ATOM 729 N ILE A 46 -2.994 2.863 1.502 1.00 0.00 N ATOM 730 CA ILE A 46 -3.674 3.993 0.881 1.00 0.00 C ATOM 731 C ILE A 46 -5.146 4.033 1.275 1.00 0.00 C ATOM 732 O ILE A 46 -5.834 3.012 1.251 1.00 0.00 O ATOM 733 CB ILE A 46 -3.567 3.939 -0.655 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.109 3.754 -1.080 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.148 5.203 -1.271 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.269 5.001 -0.916 1.00 0.00 C ATOM 0 H ILE A 46 -3.175 1.964 1.055 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.179 4.895 1.241 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.142 3.086 -1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.667 2.949 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.080 3.441 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.065 5.150 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.197 5.295 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.598 6.071 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.247 4.796 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.686 5.803 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.267 5.303 0.131 1.00 0.00 H new ATOM 748 N TYR A 47 -5.624 5.218 1.637 1.00 0.00 N ATOM 749 CA TYR A 47 -7.015 5.391 2.038 1.00 0.00 C ATOM 750 C TYR A 47 -7.725 6.386 1.125 1.00 0.00 C ATOM 751 O TYR A 47 -7.097 7.047 0.297 1.00 0.00 O ATOM 752 CB TYR A 47 -7.094 5.868 3.489 1.00 0.00 C ATOM 753 CG TYR A 47 -6.545 4.872 4.485 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.182 4.802 4.748 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.388 3.999 5.162 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.676 3.893 5.656 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.891 3.088 6.073 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.534 3.038 6.316 1.00 0.00 C ATOM 759 OH TYR A 47 -5.034 2.131 7.222 1.00 0.00 O ATOM 0 H TYR A 47 -5.069 6.073 1.661 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.514 4.426 1.952 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.545 6.805 3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.134 6.081 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.507 5.470 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.451 4.034 4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.614 3.852 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.561 2.419 6.592 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.770 1.605 7.599 1.00 0.00 H new ATOM 769 N THR A 48 -9.042 6.488 1.281 1.00 0.00 N ATOM 770 CA THR A 48 -9.839 7.401 0.472 1.00 0.00 C ATOM 771 C THR A 48 -10.352 8.570 1.305 1.00 0.00 C ATOM 772 O THR A 48 -10.451 8.476 2.529 1.00 0.00 O ATOM 773 CB THR A 48 -11.038 6.679 -0.172 1.00 0.00 C ATOM 774 OG1 THR A 48 -11.887 6.136 0.846 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.567 5.565 -1.095 1.00 0.00 C ATOM 0 H THR A 48 -9.579 5.949 1.961 1.00 0.00 H new ATOM 0 HA THR A 48 -9.186 7.779 -0.315 1.00 0.00 H new ATOM 0 HB THR A 48 -11.597 7.405 -0.762 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.648 5.680 0.429 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.431 5.070 -1.538 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.945 5.986 -1.885 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.987 4.840 -0.524 1.00 0.00 H new ATOM 783 N ARG A 49 -10.677 9.670 0.635 1.00 0.00 N ATOM 784 CA ARG A 49 -11.179 10.858 1.315 1.00 0.00 C ATOM 785 C ARG A 49 -12.304 10.497 2.281 1.00 0.00 C ATOM 786 O ARG A 49 -12.649 11.279 3.166 1.00 0.00 O ATOM 787 CB ARG A 49 -11.678 11.883 0.295 1.00 0.00 C ATOM 788 CG ARG A 49 -13.103 11.634 -0.172 1.00 0.00 C ATOM 789 CD ARG A 49 -13.237 10.284 -0.858 1.00 0.00 C ATOM 790 NE ARG A 49 -12.714 10.309 -2.222 1.00 0.00 N ATOM 791 CZ ARG A 49 -13.316 10.932 -3.229 1.00 0.00 C ATOM 792 NH1 ARG A 49 -14.457 11.577 -3.026 1.00 0.00 N ATOM 793 NH2 ARG A 49 -12.778 10.910 -4.441 1.00 0.00 N ATOM 0 H ARG A 49 -10.602 9.764 -0.378 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.359 11.293 1.886 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.617 12.879 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.015 11.875 -0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.780 11.678 0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.405 12.424 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.705 9.529 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.286 9.990 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.838 9.821 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.874 11.595 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.918 12.055 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.901 10.414 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.241 11.389 -5.213 1.00 0.00 H new ATOM 807 N GLU A 50 -12.871 9.308 2.103 1.00 0.00 N ATOM 808 CA GLU A 50 -13.958 8.845 2.958 1.00 0.00 C ATOM 809 C GLU A 50 -13.416 8.055 4.146 1.00 0.00 C ATOM 810 O GLU A 50 -14.009 8.050 5.224 1.00 0.00 O ATOM 811 CB GLU A 50 -14.933 7.979 2.158 1.00 0.00 C ATOM 812 CG GLU A 50 -15.947 8.782 1.360 1.00 0.00 C ATOM 813 CD GLU A 50 -17.149 7.956 0.946 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.719 7.261 1.812 1.00 0.00 O ATOM 815 OE2 GLU A 50 -17.520 8.007 -0.245 1.00 0.00 O ATOM 0 H GLU A 50 -12.596 8.648 1.375 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.487 9.720 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.367 7.345 1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.464 7.317 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.282 9.631 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.465 9.187 0.470 1.00 0.00 H new ATOM 822 N GLY A 51 -12.285 7.387 3.939 1.00 0.00 N ATOM 823 CA GLY A 51 -11.682 6.603 5.001 1.00 0.00 C ATOM 824 C GLY A 51 -11.743 5.113 4.727 1.00 0.00 C ATOM 825 O GLY A 51 -11.856 4.309 5.652 1.00 0.00 O ATOM 0 H GLY A 51 -11.776 7.375 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.642 6.904 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.191 6.818 5.941 1.00 0.00 H new ATOM 829 N ARG A 52 -11.669 4.744 3.452 1.00 0.00 N ATOM 830 CA ARG A 52 -11.720 3.341 3.059 1.00 0.00 C ATOM 831 C ARG A 52 -10.398 2.904 2.433 1.00 0.00 C ATOM 832 O ARG A 52 -9.636 3.730 1.931 1.00 0.00 O ATOM 833 CB ARG A 52 -12.866 3.107 2.073 1.00 0.00 C ATOM 834 CG ARG A 52 -14.222 3.542 2.602 1.00 0.00 C ATOM 835 CD ARG A 52 -15.356 2.826 1.884 1.00 0.00 C ATOM 836 NE ARG A 52 -16.588 2.827 2.669 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.763 2.431 2.193 1.00 0.00 C ATOM 838 NH1 ARG A 52 -17.865 2.005 0.941 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.839 2.461 2.969 1.00 0.00 N ATOM 0 H ARG A 52 -11.574 5.397 2.674 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.893 2.744 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.656 3.647 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.907 2.047 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.280 3.337 3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.334 4.619 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.538 3.308 0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.061 1.798 1.674 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.543 3.149 3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -17.040 1.981 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.768 1.701 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.764 2.788 3.932 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.741 2.157 2.602 1.00 0.00 H new ATOM 853 N GLN A 53 -10.135 1.602 2.467 1.00 0.00 N ATOM 854 CA GLN A 53 -8.906 1.056 1.904 1.00 0.00 C ATOM 855 C GLN A 53 -9.000 0.957 0.385 1.00 0.00 C ATOM 856 O GLN A 53 -9.415 -0.067 -0.156 1.00 0.00 O ATOM 857 CB GLN A 53 -8.615 -0.322 2.500 1.00 0.00 C ATOM 858 CG GLN A 53 -7.957 -0.267 3.869 1.00 0.00 C ATOM 859 CD GLN A 53 -7.423 -1.614 4.314 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.685 -2.060 5.432 1.00 0.00 O ATOM 861 NE2 GLN A 53 -6.668 -2.270 3.441 1.00 0.00 N ATOM 0 H GLN A 53 -10.756 0.906 2.878 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.089 1.732 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.548 -0.880 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.969 -0.875 1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.140 0.454 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.680 0.093 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.476 -1.863 2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.280 -3.181 3.686 1.00 0.00 H new ATOM 870 N SER A 54 -8.611 2.029 -0.298 1.00 0.00 N ATOM 871 CA SER A 54 -8.655 2.065 -1.755 1.00 0.00 C ATOM 872 C SER A 54 -8.119 0.765 -2.347 1.00 0.00 C ATOM 873 O SER A 54 -8.564 0.320 -3.404 1.00 0.00 O ATOM 874 CB SER A 54 -7.846 3.251 -2.282 1.00 0.00 C ATOM 875 OG SER A 54 -7.698 3.182 -3.690 1.00 0.00 O ATOM 0 H SER A 54 -8.262 2.884 0.134 1.00 0.00 H new ATOM 0 HA SER A 54 -9.695 2.181 -2.060 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.342 4.183 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.864 3.264 -1.810 1.00 0.00 H new ATOM 0 HG SER A 54 -7.179 3.952 -4.002 1.00 0.00 H new ATOM 881 N GLY A 55 -7.158 0.160 -1.656 1.00 0.00 N ATOM 882 CA GLY A 55 -6.575 -1.083 -2.127 1.00 0.00 C ATOM 883 C GLY A 55 -5.073 -0.986 -2.311 1.00 0.00 C ATOM 884 O GLY A 55 -4.347 -1.943 -2.045 1.00 0.00 O ATOM 0 H GLY A 55 -6.773 0.508 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.800 -1.878 -1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.037 -1.361 -3.074 1.00 0.00 H new ATOM 888 N GLU A 56 -4.608 0.172 -2.769 1.00 0.00 N ATOM 889 CA GLU A 56 -3.183 0.388 -2.991 1.00 0.00 C ATOM 890 C GLU A 56 -2.449 0.575 -1.667 1.00 0.00 C ATOM 891 O GLU A 56 -2.976 1.179 -0.733 1.00 0.00 O ATOM 892 CB GLU A 56 -2.964 1.609 -3.886 1.00 0.00 C ATOM 893 CG GLU A 56 -3.347 1.377 -5.338 1.00 0.00 C ATOM 894 CD GLU A 56 -3.762 2.654 -6.044 1.00 0.00 C ATOM 895 OE1 GLU A 56 -2.931 3.583 -6.127 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.917 2.723 -6.512 1.00 0.00 O ATOM 0 H GLU A 56 -5.197 0.974 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.780 -0.494 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.545 2.444 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.915 1.900 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.503 0.932 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.166 0.659 -5.383 1.00 0.00 H new ATOM 903 N ALA A 57 -1.229 0.053 -1.595 1.00 0.00 N ATOM 904 CA ALA A 57 -0.421 0.163 -0.386 1.00 0.00 C ATOM 905 C ALA A 57 1.066 0.069 -0.710 1.00 0.00 C ATOM 906 O ALA A 57 1.537 -0.946 -1.221 1.00 0.00 O ATOM 907 CB ALA A 57 -0.815 -0.915 0.612 1.00 0.00 C ATOM 0 H ALA A 57 -0.778 -0.450 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.608 1.140 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.204 -0.821 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.866 -0.800 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.658 -1.898 0.167 1.00 0.00 H new ATOM 913 N PHE A 58 1.801 1.135 -0.410 1.00 0.00 N ATOM 914 CA PHE A 58 3.235 1.174 -0.670 1.00 0.00 C ATOM 915 C PHE A 58 4.007 0.454 0.431 1.00 0.00 C ATOM 916 O PHE A 58 3.493 0.242 1.530 1.00 0.00 O ATOM 917 CB PHE A 58 3.716 2.622 -0.784 1.00 0.00 C ATOM 918 CG PHE A 58 3.178 3.339 -1.988 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.858 3.761 -2.028 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.991 3.593 -3.081 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.361 4.421 -3.135 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.499 4.253 -4.191 1.00 0.00 C ATOM 923 CZ PHE A 58 2.182 4.668 -4.218 1.00 0.00 C ATOM 0 H PHE A 58 1.426 1.984 0.014 1.00 0.00 H new ATOM 0 HA PHE A 58 3.422 0.662 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.422 3.166 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.805 2.633 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.211 3.572 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.022 3.271 -3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.331 4.744 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.144 4.444 -5.036 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.795 5.184 -5.084 1.00 0.00 H new ATOM 933 N VAL A 59 5.247 0.080 0.130 1.00 0.00 N ATOM 934 CA VAL A 59 6.091 -0.616 1.093 1.00 0.00 C ATOM 935 C VAL A 59 7.559 -0.251 0.901 1.00 0.00 C ATOM 936 O VAL A 59 8.075 -0.281 -0.216 1.00 0.00 O ATOM 937 CB VAL A 59 5.934 -2.143 0.978 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.850 -2.851 1.966 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.484 -2.547 1.199 1.00 0.00 C ATOM 0 H VAL A 59 5.689 0.248 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 59 5.767 -0.299 2.084 1.00 0.00 H new ATOM 0 HB VAL A 59 6.223 -2.446 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.725 -3.929 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.886 -2.586 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.596 -2.545 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.391 -3.630 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.166 -2.232 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.855 -2.069 0.448 1.00 0.00 H new ATOM 949 N GLU A 60 8.227 0.093 1.998 1.00 0.00 N ATOM 950 CA GLU A 60 9.636 0.463 1.950 1.00 0.00 C ATOM 951 C GLU A 60 10.527 -0.769 2.078 1.00 0.00 C ATOM 952 O GLU A 60 10.247 -1.672 2.867 1.00 0.00 O ATOM 953 CB GLU A 60 9.963 1.461 3.063 1.00 0.00 C ATOM 954 CG GLU A 60 9.593 2.895 2.722 1.00 0.00 C ATOM 955 CD GLU A 60 10.224 3.900 3.666 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.369 4.323 3.402 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.574 4.263 4.668 1.00 0.00 O ATOM 0 H GLU A 60 7.815 0.123 2.930 1.00 0.00 H new ATOM 0 HA GLU A 60 9.829 0.931 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.437 1.165 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.030 1.412 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.906 3.114 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.509 3.004 2.753 1.00 0.00 H new ATOM 964 N LEU A 61 11.602 -0.798 1.298 1.00 0.00 N ATOM 965 CA LEU A 61 12.536 -1.919 1.323 1.00 0.00 C ATOM 966 C LEU A 61 13.840 -1.525 2.009 1.00 0.00 C ATOM 967 O LEU A 61 14.048 -0.360 2.345 1.00 0.00 O ATOM 968 CB LEU A 61 12.820 -2.403 -0.100 1.00 0.00 C ATOM 969 CG LEU A 61 11.601 -2.819 -0.924 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.023 -3.268 -2.314 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.830 -3.923 -0.216 1.00 0.00 C ATOM 0 H LEU A 61 11.849 -0.058 0.640 1.00 0.00 H new ATOM 0 HA LEU A 61 12.079 -2.729 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.341 -1.609 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.502 -3.251 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 61 10.945 -1.954 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.142 -3.560 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.530 -2.448 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.700 -4.118 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.966 -4.206 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.477 -4.789 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.494 -3.565 0.757 1.00 0.00 H new ATOM 983 N GLU A 62 14.716 -2.505 2.210 1.00 0.00 N ATOM 984 CA GLU A 62 16.000 -2.260 2.855 1.00 0.00 C ATOM 985 C GLU A 62 17.065 -1.894 1.824 1.00 0.00 C ATOM 986 O GLU A 62 17.798 -0.920 1.993 1.00 0.00 O ATOM 987 CB GLU A 62 16.443 -3.493 3.645 1.00 0.00 C ATOM 988 CG GLU A 62 17.795 -3.331 4.319 1.00 0.00 C ATOM 989 CD GLU A 62 18.332 -4.637 4.873 1.00 0.00 C ATOM 990 OE1 GLU A 62 18.021 -4.958 6.039 1.00 0.00 O ATOM 991 OE2 GLU A 62 19.061 -5.337 4.141 1.00 0.00 O ATOM 0 H GLU A 62 14.560 -3.475 1.936 1.00 0.00 H new ATOM 0 HA GLU A 62 15.879 -1.422 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.693 -3.717 4.404 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.482 -4.350 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.508 -2.925 3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.709 -2.606 5.128 1.00 0.00 H new ATOM 998 N SER A 63 17.143 -2.683 0.758 1.00 0.00 N ATOM 999 CA SER A 63 18.120 -2.446 -0.299 1.00 0.00 C ATOM 1000 C SER A 63 17.467 -2.539 -1.674 1.00 0.00 C ATOM 1001 O SER A 63 16.270 -2.800 -1.787 1.00 0.00 O ATOM 1002 CB SER A 63 19.268 -3.453 -0.197 1.00 0.00 C ATOM 1003 OG SER A 63 19.796 -3.493 1.117 1.00 0.00 O ATOM 0 H SER A 63 16.542 -3.492 0.603 1.00 0.00 H new ATOM 0 HA SER A 63 18.517 -1.439 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 63 18.913 -4.444 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.056 -3.184 -0.901 1.00 0.00 H new ATOM 0 HG SER A 63 20.527 -4.145 1.156 1.00 0.00 H new ATOM 1009 N GLU A 64 18.263 -2.324 -2.717 1.00 0.00 N ATOM 1010 CA GLU A 64 17.762 -2.383 -4.085 1.00 0.00 C ATOM 1011 C GLU A 64 17.239 -3.778 -4.413 1.00 0.00 C ATOM 1012 O GLU A 64 16.085 -3.942 -4.809 1.00 0.00 O ATOM 1013 CB GLU A 64 18.865 -1.995 -5.072 1.00 0.00 C ATOM 1014 CG GLU A 64 18.374 -1.835 -6.501 1.00 0.00 C ATOM 1015 CD GLU A 64 19.424 -1.236 -7.416 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.628 -1.420 -7.138 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.042 -0.584 -8.410 1.00 0.00 O ATOM 0 H GLU A 64 19.257 -2.108 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 64 16.938 -1.675 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.320 -1.060 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.646 -2.755 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.073 -2.808 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.488 -1.201 -6.508 1.00 0.00 H new ATOM 1024 N ASP A 65 18.096 -4.779 -4.246 1.00 0.00 N ATOM 1025 CA ASP A 65 17.721 -6.161 -4.523 1.00 0.00 C ATOM 1026 C ASP A 65 16.256 -6.407 -4.174 1.00 0.00 C ATOM 1027 O ASP A 65 15.504 -6.968 -4.971 1.00 0.00 O ATOM 1028 CB ASP A 65 18.614 -7.122 -3.737 1.00 0.00 C ATOM 1029 CG ASP A 65 18.796 -8.451 -4.442 1.00 0.00 C ATOM 1030 OD1 ASP A 65 17.847 -9.263 -4.432 1.00 0.00 O ATOM 1031 OD2 ASP A 65 19.888 -8.681 -5.004 1.00 0.00 O ATOM 0 H ASP A 65 19.055 -4.660 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 65 17.857 -6.342 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 19.589 -6.661 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.180 -7.293 -2.752 1.00 0.00 H new ATOM 1036 N ASP A 66 15.859 -5.985 -2.979 1.00 0.00 N ATOM 1037 CA ASP A 66 14.485 -6.159 -2.524 1.00 0.00 C ATOM 1038 C ASP A 66 13.496 -5.724 -3.602 1.00 0.00 C ATOM 1039 O ASP A 66 12.565 -6.457 -3.937 1.00 0.00 O ATOM 1040 CB ASP A 66 14.244 -5.361 -1.242 1.00 0.00 C ATOM 1041 CG ASP A 66 15.013 -5.918 -0.060 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.385 -7.110 -0.102 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.245 -5.162 0.906 1.00 0.00 O ATOM 0 H ASP A 66 16.470 -5.520 -2.307 1.00 0.00 H new ATOM 0 HA ASP A 66 14.328 -7.218 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.534 -4.323 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.179 -5.362 -1.012 1.00 0.00 H new ATOM 1048 N VAL A 67 13.705 -4.527 -4.140 1.00 0.00 N ATOM 1049 CA VAL A 67 12.832 -3.994 -5.180 1.00 0.00 C ATOM 1050 C VAL A 67 12.635 -5.005 -6.303 1.00 0.00 C ATOM 1051 O VAL A 67 11.505 -5.342 -6.659 1.00 0.00 O ATOM 1052 CB VAL A 67 13.397 -2.689 -5.772 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.426 -2.096 -6.782 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.704 -1.691 -4.665 1.00 0.00 C ATOM 0 H VAL A 67 14.471 -3.908 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 67 11.871 -3.785 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 67 14.328 -2.919 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.842 -1.175 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.262 -2.808 -7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.477 -1.879 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 67 14.102 -0.775 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.790 -1.464 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.440 -2.118 -3.984 1.00 0.00 H new ATOM 1064 N LYS A 68 13.741 -5.488 -6.859 1.00 0.00 N ATOM 1065 CA LYS A 68 13.692 -6.463 -7.941 1.00 0.00 C ATOM 1066 C LYS A 68 12.910 -7.704 -7.521 1.00 0.00 C ATOM 1067 O LYS A 68 12.158 -8.274 -8.313 1.00 0.00 O ATOM 1068 CB LYS A 68 15.108 -6.859 -8.364 1.00 0.00 C ATOM 1069 CG LYS A 68 16.005 -5.673 -8.671 1.00 0.00 C ATOM 1070 CD LYS A 68 17.420 -6.116 -9.008 1.00 0.00 C ATOM 1071 CE LYS A 68 18.335 -4.924 -9.244 1.00 0.00 C ATOM 1072 NZ LYS A 68 18.170 -4.361 -10.613 1.00 0.00 N ATOM 0 H LYS A 68 14.684 -5.219 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 68 13.182 -6.003 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.563 -7.452 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.050 -7.497 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.591 -5.109 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.028 -5.001 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.816 -6.724 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.403 -6.745 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.122 -4.151 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.372 -5.227 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.810 -3.551 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.397 -5.091 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.187 -4.048 -10.743 1.00 0.00 H new ATOM 1086 N LEU A 69 13.090 -8.116 -6.271 1.00 0.00 N ATOM 1087 CA LEU A 69 12.400 -9.288 -5.745 1.00 0.00 C ATOM 1088 C LEU A 69 10.895 -9.048 -5.673 1.00 0.00 C ATOM 1089 O LEU A 69 10.103 -9.863 -6.145 1.00 0.00 O ATOM 1090 CB LEU A 69 12.937 -9.641 -4.357 1.00 0.00 C ATOM 1091 CG LEU A 69 14.439 -9.918 -4.269 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.874 -10.049 -2.818 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.796 -11.174 -5.050 1.00 0.00 C ATOM 0 H LEU A 69 13.708 -7.656 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 69 12.585 -10.121 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.698 -8.822 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.404 -10.520 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 69 14.971 -9.075 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.945 -10.246 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.654 -9.123 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.335 -10.872 -2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.868 -11.356 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.255 -12.025 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.521 -11.042 -6.097 1.00 0.00 H new ATOM 1105 N ALA A 70 10.508 -7.922 -5.082 1.00 0.00 N ATOM 1106 CA ALA A 70 9.099 -7.572 -4.953 1.00 0.00 C ATOM 1107 C ALA A 70 8.384 -7.672 -6.296 1.00 0.00 C ATOM 1108 O ALA A 70 7.284 -8.220 -6.387 1.00 0.00 O ATOM 1109 CB ALA A 70 8.954 -6.171 -4.378 1.00 0.00 C ATOM 0 H ALA A 70 11.151 -7.237 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 70 8.634 -8.283 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.897 -5.923 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.422 -6.131 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.439 -5.454 -5.040 1.00 0.00 H new ATOM 1115 N LEU A 71 9.012 -7.138 -7.337 1.00 0.00 N ATOM 1116 CA LEU A 71 8.435 -7.166 -8.677 1.00 0.00 C ATOM 1117 C LEU A 71 8.113 -8.595 -9.101 1.00 0.00 C ATOM 1118 O LEU A 71 7.287 -8.821 -9.985 1.00 0.00 O ATOM 1119 CB LEU A 71 9.396 -6.527 -9.681 1.00 0.00 C ATOM 1120 CG LEU A 71 9.669 -5.035 -9.494 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.811 -4.584 -10.391 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.413 -4.223 -9.778 1.00 0.00 C ATOM 0 H LEU A 71 9.922 -6.680 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 71 7.507 -6.595 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.346 -7.058 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.996 -6.680 -10.684 1.00 0.00 H new ATOM 0 HG LEU A 71 9.960 -4.866 -8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.991 -3.519 -10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.713 -5.142 -10.140 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.549 -4.767 -11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.626 -3.163 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.091 -4.398 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.621 -4.526 -9.093 1.00 0.00 H new ATOM 1134 N LYS A 72 8.771 -9.558 -8.464 1.00 0.00 N ATOM 1135 CA LYS A 72 8.553 -10.967 -8.772 1.00 0.00 C ATOM 1136 C LYS A 72 7.248 -11.463 -8.157 1.00 0.00 C ATOM 1137 O LYS A 72 6.684 -12.464 -8.598 1.00 0.00 O ATOM 1138 CB LYS A 72 9.723 -11.809 -8.258 1.00 0.00 C ATOM 1139 CG LYS A 72 11.077 -11.342 -8.765 1.00 0.00 C ATOM 1140 CD LYS A 72 12.176 -12.331 -8.413 1.00 0.00 C ATOM 1141 CE LYS A 72 13.553 -11.772 -8.734 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.631 -12.508 -8.018 1.00 0.00 N ATOM 0 H LYS A 72 9.460 -9.388 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 72 8.486 -11.070 -9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.725 -11.786 -7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.571 -12.847 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.036 -11.212 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.311 -10.368 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.120 -12.576 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.022 -13.259 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.726 -11.829 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.590 -10.718 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.426 -11.864 -7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.262 -12.874 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.959 -13.301 -8.605 1.00 0.00 H new ATOM 1156 N LYS A 73 6.773 -10.755 -7.138 1.00 0.00 N ATOM 1157 CA LYS A 73 5.532 -11.121 -6.465 1.00 0.00 C ATOM 1158 C LYS A 73 4.324 -10.559 -7.207 1.00 0.00 C ATOM 1159 O LYS A 73 3.228 -10.475 -6.653 1.00 0.00 O ATOM 1160 CB LYS A 73 5.541 -10.609 -5.022 1.00 0.00 C ATOM 1161 CG LYS A 73 6.869 -10.812 -4.313 1.00 0.00 C ATOM 1162 CD LYS A 73 7.118 -12.280 -4.006 1.00 0.00 C ATOM 1163 CE LYS A 73 6.331 -12.736 -2.788 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.162 -14.215 -2.759 1.00 0.00 N ATOM 0 H LYS A 73 7.229 -9.924 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 73 5.458 -12.208 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.297 -9.547 -5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.757 -11.117 -4.460 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.677 -10.427 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.879 -10.239 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.839 -12.885 -4.868 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.182 -12.441 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.843 -12.411 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.351 -12.258 -2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.620 -14.486 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.651 -14.523 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.096 -14.671 -2.732 1.00 0.00 H new ATOM 1178 N ASP A 74 4.531 -10.179 -8.463 1.00 0.00 N ATOM 1179 CA ASP A 74 3.458 -9.628 -9.282 1.00 0.00 C ATOM 1180 C ASP A 74 2.360 -10.663 -9.506 1.00 0.00 C ATOM 1181 O ASP A 74 2.561 -11.856 -9.278 1.00 0.00 O ATOM 1182 CB ASP A 74 4.008 -9.150 -10.626 1.00 0.00 C ATOM 1183 CG ASP A 74 2.973 -9.220 -11.733 1.00 0.00 C ATOM 1184 OD1 ASP A 74 1.966 -8.487 -11.651 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.171 -10.010 -12.680 1.00 0.00 O ATOM 0 H ASP A 74 5.432 -10.243 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 74 3.028 -8.778 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.361 -8.123 -10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.870 -9.758 -10.900 1.00 0.00 H new ATOM 1190 N ARG A 75 1.198 -10.198 -9.953 1.00 0.00 N ATOM 1191 CA ARG A 75 0.067 -11.083 -10.206 1.00 0.00 C ATOM 1192 C ARG A 75 0.072 -12.262 -9.237 1.00 0.00 C ATOM 1193 O ARG A 75 -0.288 -13.380 -9.604 1.00 0.00 O ATOM 1194 CB ARG A 75 0.104 -11.593 -11.647 1.00 0.00 C ATOM 1195 CG ARG A 75 1.111 -12.710 -11.873 1.00 0.00 C ATOM 1196 CD ARG A 75 1.506 -12.816 -13.337 1.00 0.00 C ATOM 1197 NE ARG A 75 2.360 -13.973 -13.591 1.00 0.00 N ATOM 1198 CZ ARG A 75 2.488 -14.545 -14.783 1.00 0.00 C ATOM 1199 NH1 ARG A 75 1.820 -14.069 -15.825 1.00 0.00 N ATOM 1200 NH2 ARG A 75 3.285 -15.595 -14.934 1.00 0.00 N ATOM 0 H ARG A 75 1.015 -9.214 -10.147 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.850 -10.513 -10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.889 -11.949 -11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.341 -10.762 -12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.999 -12.529 -11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.686 -13.657 -11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.608 -12.887 -13.951 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.027 -11.907 -13.639 1.00 0.00 H new ATOM 0 HE ARG A 75 2.887 -14.363 -12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.206 -13.262 -15.712 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.920 -14.510 -16.739 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.800 -15.964 -14.134 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.383 -16.034 -15.850 1.00 0.00 H new ATOM 1214 N GLU A 76 0.483 -12.002 -7.999 1.00 0.00 N ATOM 1215 CA GLU A 76 0.536 -13.043 -6.979 1.00 0.00 C ATOM 1216 C GLU A 76 -0.834 -13.247 -6.338 1.00 0.00 C ATOM 1217 O GLU A 76 -1.817 -12.624 -6.739 1.00 0.00 O ATOM 1218 CB GLU A 76 1.565 -12.684 -5.906 1.00 0.00 C ATOM 1219 CG GLU A 76 2.979 -13.126 -6.246 1.00 0.00 C ATOM 1220 CD GLU A 76 3.183 -14.617 -6.063 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.256 -15.387 -6.391 1.00 0.00 O ATOM 1222 OE2 GLU A 76 4.269 -15.015 -5.593 1.00 0.00 O ATOM 0 H GLU A 76 0.783 -11.081 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 76 0.834 -13.974 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.557 -11.605 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.268 -13.141 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.202 -12.856 -7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.686 -12.586 -5.616 1.00 0.00 H new ATOM 1229 N SER A 77 -0.889 -14.123 -5.340 1.00 0.00 N ATOM 1230 CA SER A 77 -2.138 -14.413 -4.646 1.00 0.00 C ATOM 1231 C SER A 77 -1.964 -14.279 -3.136 1.00 0.00 C ATOM 1232 O SER A 77 -1.261 -15.071 -2.509 1.00 0.00 O ATOM 1233 CB SER A 77 -2.624 -15.822 -4.992 1.00 0.00 C ATOM 1234 OG SER A 77 -1.652 -16.794 -4.650 1.00 0.00 O ATOM 0 H SER A 77 -0.083 -14.644 -4.994 1.00 0.00 H new ATOM 0 HA SER A 77 -2.884 -13.689 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.553 -16.030 -4.462 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.845 -15.883 -6.058 1.00 0.00 H new ATOM 0 HG SER A 77 -1.181 -16.514 -3.837 1.00 0.00 H new ATOM 1240 N MET A 78 -2.610 -13.271 -2.559 1.00 0.00 N ATOM 1241 CA MET A 78 -2.528 -13.034 -1.123 1.00 0.00 C ATOM 1242 C MET A 78 -3.779 -13.543 -0.415 1.00 0.00 C ATOM 1243 O MET A 78 -4.824 -12.893 -0.435 1.00 0.00 O ATOM 1244 CB MET A 78 -2.340 -11.542 -0.841 1.00 0.00 C ATOM 1245 CG MET A 78 -2.369 -11.195 0.639 1.00 0.00 C ATOM 1246 SD MET A 78 -2.530 -9.423 0.934 1.00 0.00 S ATOM 1247 CE MET A 78 -0.835 -8.888 0.713 1.00 0.00 C ATOM 0 H MET A 78 -3.196 -12.606 -3.064 1.00 0.00 H new ATOM 0 HA MET A 78 -1.667 -13.581 -0.739 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.389 -11.218 -1.263 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.123 -10.982 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.201 -11.716 1.114 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.455 -11.556 1.111 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.736 -7.851 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.174 -9.518 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.562 -8.969 -0.339 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.666 -14.711 0.210 1.00 0.00 N ATOM 1258 CA GLY A 79 -4.796 -15.288 0.915 1.00 0.00 C ATOM 1259 C GLY A 79 -5.836 -15.861 -0.028 1.00 0.00 C ATOM 1260 O GLY A 79 -5.822 -17.056 -0.327 1.00 0.00 O ATOM 0 H GLY A 79 -2.812 -15.268 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.442 -16.074 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.258 -14.525 1.541 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.742 -15.009 -0.496 1.00 0.00 N ATOM 1265 CA HIS A 80 -7.795 -15.438 -1.410 1.00 0.00 C ATOM 1266 C HIS A 80 -7.936 -14.462 -2.574 1.00 0.00 C ATOM 1267 O HIS A 80 -8.793 -14.634 -3.441 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.126 -15.560 -0.667 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.318 -15.589 -1.574 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.246 -14.571 -1.629 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -10.729 -16.520 -2.466 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -12.178 -14.875 -2.514 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -11.887 -16.053 -3.037 1.00 0.00 N ATOM 0 H HIS A 80 -6.769 -14.018 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.520 -16.414 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.115 -16.469 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.225 -14.722 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.238 -17.456 -2.687 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.032 -14.265 -2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.434 -16.537 -3.749 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.090 -13.437 -2.585 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.122 -12.432 -3.641 1.00 0.00 C ATOM 1284 C ARG A 81 -5.772 -12.342 -4.347 1.00 0.00 C ATOM 1285 O ARG A 81 -4.802 -12.981 -3.938 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.499 -11.067 -3.064 1.00 0.00 C ATOM 1287 CG ARG A 81 -8.917 -11.006 -2.519 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.449 -9.582 -2.506 1.00 0.00 C ATOM 1289 NE ARG A 81 -9.867 -9.141 -3.834 1.00 0.00 N ATOM 1290 CZ ARG A 81 -10.039 -7.867 -4.165 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -9.830 -6.912 -3.270 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -10.422 -7.545 -5.395 1.00 0.00 N ATOM 0 H ARG A 81 -6.374 -13.281 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.875 -12.731 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.801 -10.814 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.384 -10.310 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.569 -11.633 -3.127 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.937 -11.412 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.294 -9.517 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.678 -8.911 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.036 -9.851 -4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.536 -7.155 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.963 -5.934 -3.527 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.584 -8.277 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.554 -6.566 -5.648 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.717 -11.546 -5.409 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.487 -11.375 -6.174 1.00 0.00 C ATOM 1308 C TYR A 82 -3.838 -10.029 -5.867 1.00 0.00 C ATOM 1309 O TYR A 82 -4.522 -9.056 -5.548 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.774 -11.486 -7.672 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.628 -12.890 -8.214 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.572 -13.868 -7.928 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.546 -13.237 -9.014 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.442 -15.152 -8.421 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.409 -14.518 -9.512 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.359 -15.472 -9.213 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.227 -16.750 -9.707 1.00 0.00 O ATOM 0 H TYR A 82 -6.510 -11.009 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.795 -12.166 -5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.787 -11.134 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.097 -10.824 -8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.422 -13.620 -7.310 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.800 -12.493 -9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.184 -15.901 -8.188 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.562 -14.771 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.411 -16.809 -10.247 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.514 -9.982 -5.966 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.771 -8.756 -5.701 1.00 0.00 C ATOM 1329 C ILE A 83 -0.861 -8.401 -6.872 1.00 0.00 C ATOM 1330 O ILE A 83 -0.154 -9.257 -7.402 1.00 0.00 O ATOM 1331 CB ILE A 83 -0.921 -8.878 -4.423 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.705 -9.606 -3.330 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.485 -7.502 -3.944 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.035 -8.960 -3.008 1.00 0.00 C ATOM 0 H ILE A 83 -1.933 -10.779 -6.228 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.507 -7.964 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.029 -9.461 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.877 -10.636 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.100 -9.644 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.115 -7.605 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.108 -7.018 -4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.365 -6.896 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.536 -9.529 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.870 -7.939 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.659 -8.946 -3.902 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.885 -7.132 -7.269 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.060 -6.664 -8.377 1.00 0.00 C ATOM 1348 C GLU A 84 1.014 -5.698 -7.886 1.00 0.00 C ATOM 1349 O GLU A 84 0.714 -4.579 -7.469 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.930 -5.982 -9.436 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.804 -6.947 -10.219 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.586 -6.261 -11.322 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -1.975 -5.489 -12.090 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -3.809 -6.495 -11.417 1.00 0.00 O ATOM 0 H GLU A 84 -1.466 -6.411 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 84 0.431 -7.529 -8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.566 -5.242 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.286 -5.443 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.179 -7.727 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.499 -7.438 -9.537 1.00 0.00 H new ATOM 1361 N VAL A 85 2.267 -6.139 -7.937 1.00 0.00 N ATOM 1362 CA VAL A 85 3.386 -5.314 -7.499 1.00 0.00 C ATOM 1363 C VAL A 85 3.712 -4.237 -8.527 1.00 0.00 C ATOM 1364 O VAL A 85 3.652 -4.477 -9.733 1.00 0.00 O ATOM 1365 CB VAL A 85 4.645 -6.165 -7.247 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.777 -5.300 -6.713 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.335 -7.303 -6.286 1.00 0.00 C ATOM 0 H VAL A 85 2.532 -7.063 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 85 3.083 -4.840 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 85 4.966 -6.597 -8.195 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.658 -5.919 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.015 -4.523 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.470 -4.837 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.236 -7.894 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.989 -6.894 -5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.558 -7.938 -6.712 1.00 0.00 H new ATOM 1377 N PHE A 86 4.057 -3.049 -8.042 1.00 0.00 N ATOM 1378 CA PHE A 86 4.392 -1.933 -8.919 1.00 0.00 C ATOM 1379 C PHE A 86 5.656 -1.225 -8.441 1.00 0.00 C ATOM 1380 O PHE A 86 5.752 -0.815 -7.284 1.00 0.00 O ATOM 1381 CB PHE A 86 3.230 -0.940 -8.983 1.00 0.00 C ATOM 1382 CG PHE A 86 2.059 -1.437 -9.781 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.230 -1.887 -11.080 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.787 -1.453 -9.232 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.154 -2.346 -11.817 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.293 -1.910 -9.964 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.109 -2.356 -11.258 1.00 0.00 C ATOM 0 H PHE A 86 4.112 -2.834 -7.046 1.00 0.00 H new ATOM 0 HA PHE A 86 4.576 -2.331 -9.917 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.899 -0.715 -7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.585 -0.005 -9.417 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.215 -1.879 -11.522 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.638 -1.105 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.301 -2.696 -12.828 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.279 -1.918 -9.524 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.952 -2.712 -11.832 1.00 0.00 H new ATOM 1397 N LYS A 87 6.625 -1.086 -9.339 1.00 0.00 N ATOM 1398 CA LYS A 87 7.884 -0.428 -9.011 1.00 0.00 C ATOM 1399 C LYS A 87 7.687 1.076 -8.852 1.00 0.00 C ATOM 1400 O LYS A 87 7.332 1.769 -9.806 1.00 0.00 O ATOM 1401 CB LYS A 87 8.926 -0.705 -10.097 1.00 0.00 C ATOM 1402 CG LYS A 87 10.354 -0.721 -9.579 1.00 0.00 C ATOM 1403 CD LYS A 87 10.854 0.682 -9.277 1.00 0.00 C ATOM 1404 CE LYS A 87 12.355 0.698 -9.031 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.121 0.916 -10.289 1.00 0.00 N ATOM 0 H LYS A 87 6.562 -1.421 -10.301 1.00 0.00 H new ATOM 0 HA LYS A 87 8.240 -0.832 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.707 -1.666 -10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.839 0.054 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.408 -1.329 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.005 -1.189 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.614 1.342 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.336 1.073 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.598 1.485 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.659 -0.246 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.140 0.920 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.909 0.151 -10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.850 1.829 -10.707 1.00 0.00 H new ATOM 1419 N SER A 88 7.920 1.575 -7.643 1.00 0.00 N ATOM 1420 CA SER A 88 7.765 2.997 -7.359 1.00 0.00 C ATOM 1421 C SER A 88 8.854 3.483 -6.407 1.00 0.00 C ATOM 1422 O SER A 88 9.550 2.683 -5.782 1.00 0.00 O ATOM 1423 CB SER A 88 6.386 3.272 -6.757 1.00 0.00 C ATOM 1424 OG SER A 88 5.942 4.580 -7.074 1.00 0.00 O ATOM 0 H SER A 88 8.217 1.016 -6.844 1.00 0.00 H new ATOM 0 HA SER A 88 7.858 3.542 -8.299 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.670 2.541 -7.132 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.428 3.151 -5.675 1.00 0.00 H new ATOM 0 HG SER A 88 5.000 4.676 -6.820 1.00 0.00 H new ATOM 1430 N HIS A 89 8.994 4.801 -6.303 1.00 0.00 N ATOM 1431 CA HIS A 89 9.998 5.395 -5.427 1.00 0.00 C ATOM 1432 C HIS A 89 9.369 5.860 -4.117 1.00 0.00 C ATOM 1433 O HIS A 89 8.187 5.624 -3.867 1.00 0.00 O ATOM 1434 CB HIS A 89 10.681 6.572 -6.124 1.00 0.00 C ATOM 1435 CG HIS A 89 9.811 7.259 -7.130 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.302 6.823 -8.306 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.369 8.557 -6.982 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.569 7.853 -8.840 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.625 8.888 -8.022 1.00 0.00 N flip ATOM 0 H HIS A 89 8.426 5.477 -6.814 1.00 0.00 H new ATOM 0 HA HIS A 89 10.744 4.633 -5.201 1.00 0.00 H new ATOM 0 HB2 HIS A 89 10.995 7.296 -5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.584 6.216 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.596 9.202 -6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.033 7.822 -9.777 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.171 9.790 -8.168 1.00 0.00 H new ATOM 1448 N ARG A 90 10.166 6.522 -3.285 1.00 0.00 N ATOM 1449 CA ARG A 90 9.688 7.018 -2.000 1.00 0.00 C ATOM 1450 C ARG A 90 9.103 8.420 -2.143 1.00 0.00 C ATOM 1451 O ARG A 90 8.170 8.792 -1.430 1.00 0.00 O ATOM 1452 CB ARG A 90 10.826 7.030 -0.978 1.00 0.00 C ATOM 1453 CG ARG A 90 11.592 8.342 -0.936 1.00 0.00 C ATOM 1454 CD ARG A 90 10.990 9.307 0.074 1.00 0.00 C ATOM 1455 NE ARG A 90 11.387 10.688 -0.185 1.00 0.00 N ATOM 1456 CZ ARG A 90 11.402 11.636 0.746 1.00 0.00 C ATOM 1457 NH1 ARG A 90 11.046 11.351 1.991 1.00 0.00 N ATOM 1458 NH2 ARG A 90 11.775 12.870 0.433 1.00 0.00 N ATOM 0 H ARG A 90 11.146 6.727 -3.478 1.00 0.00 H new ATOM 0 HA ARG A 90 8.902 6.349 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.417 6.826 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.519 6.221 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.634 8.148 -0.680 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.587 8.799 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.903 9.231 0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.303 9.022 1.079 1.00 0.00 H new ATOM 0 HE ARG A 90 11.668 10.939 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.760 10.403 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.058 12.080 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.051 13.092 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.786 13.597 1.149 1.00 0.00 H new ATOM 1472 N THR A 91 9.657 9.196 -3.069 1.00 0.00 N ATOM 1473 CA THR A 91 9.192 10.557 -3.305 1.00 0.00 C ATOM 1474 C THR A 91 7.735 10.571 -3.751 1.00 0.00 C ATOM 1475 O THR A 91 6.961 11.437 -3.346 1.00 0.00 O ATOM 1476 CB THR A 91 10.050 11.268 -4.369 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.296 11.681 -3.797 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.319 12.476 -4.934 1.00 0.00 C ATOM 0 H THR A 91 10.429 8.905 -3.668 1.00 0.00 H new ATOM 0 HA THR A 91 9.284 11.090 -2.359 1.00 0.00 H new ATOM 0 HB THR A 91 10.239 10.566 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.836 12.131 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.944 12.962 -5.683 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.385 12.154 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.103 13.180 -4.130 1.00 0.00 H new ATOM 1486 N GLU A 92 7.368 9.605 -4.588 1.00 0.00 N ATOM 1487 CA GLU A 92 6.002 9.508 -5.089 1.00 0.00 C ATOM 1488 C GLU A 92 5.052 9.036 -3.992 1.00 0.00 C ATOM 1489 O GLU A 92 3.942 9.549 -3.855 1.00 0.00 O ATOM 1490 CB GLU A 92 5.939 8.549 -6.280 1.00 0.00 C ATOM 1491 CG GLU A 92 4.523 8.224 -6.726 1.00 0.00 C ATOM 1492 CD GLU A 92 4.008 9.186 -7.779 1.00 0.00 C ATOM 1493 OE1 GLU A 92 4.566 10.298 -7.892 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.047 8.826 -8.491 1.00 0.00 O ATOM 0 H GLU A 92 7.997 8.880 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 92 5.690 10.501 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.483 8.986 -7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.450 7.623 -6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.495 7.209 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.859 8.248 -5.862 1.00 0.00 H new ATOM 1501 N MET A 93 5.498 8.056 -3.213 1.00 0.00 N ATOM 1502 CA MET A 93 4.688 7.516 -2.127 1.00 0.00 C ATOM 1503 C MET A 93 4.464 8.565 -1.042 1.00 0.00 C ATOM 1504 O MET A 93 3.517 8.470 -0.261 1.00 0.00 O ATOM 1505 CB MET A 93 5.361 6.280 -1.526 1.00 0.00 C ATOM 1506 CG MET A 93 4.682 5.770 -0.266 1.00 0.00 C ATOM 1507 SD MET A 93 5.693 4.581 0.636 1.00 0.00 S ATOM 1508 CE MET A 93 6.954 5.656 1.317 1.00 0.00 C ATOM 0 H MET A 93 6.415 7.620 -3.313 1.00 0.00 H new ATOM 0 HA MET A 93 3.719 7.230 -2.537 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.371 5.484 -2.271 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.400 6.517 -1.298 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.453 6.614 0.385 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.733 5.305 -0.532 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.446 5.157 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.691 5.886 0.547 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.494 6.580 1.667 1.00 0.00 H new ATOM 1518 N ASP A 94 5.340 9.562 -1.000 1.00 0.00 N ATOM 1519 CA ASP A 94 5.237 10.629 -0.011 1.00 0.00 C ATOM 1520 C ASP A 94 4.038 11.527 -0.303 1.00 0.00 C ATOM 1521 O ASP A 94 3.396 12.039 0.614 1.00 0.00 O ATOM 1522 CB ASP A 94 6.520 11.462 0.008 1.00 0.00 C ATOM 1523 CG ASP A 94 7.545 10.922 0.985 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.156 10.157 1.892 1.00 0.00 O ATOM 1525 OD2 ASP A 94 8.738 11.265 0.844 1.00 0.00 O ATOM 0 H ASP A 94 6.130 9.654 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 94 5.096 10.171 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.951 11.482 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.278 12.491 0.272 1.00 0.00 H new ATOM 1530 N TRP A 95 3.742 11.712 -1.584 1.00 0.00 N ATOM 1531 CA TRP A 95 2.621 12.548 -1.997 1.00 0.00 C ATOM 1532 C TRP A 95 1.320 11.754 -1.995 1.00 0.00 C ATOM 1533 O TRP A 95 0.304 12.209 -1.469 1.00 0.00 O ATOM 1534 CB TRP A 95 2.876 13.130 -3.388 1.00 0.00 C ATOM 1535 CG TRP A 95 2.264 12.321 -4.491 1.00 0.00 C ATOM 1536 CD1 TRP A 95 2.926 11.594 -5.440 1.00 0.00 C ATOM 1537 CD2 TRP A 95 0.867 12.158 -4.761 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.024 10.990 -6.283 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.755 11.319 -5.887 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.300 12.637 -4.159 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.477 10.952 -6.421 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.522 12.272 -4.691 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.603 11.436 -5.813 1.00 0.00 C ATOM 0 H TRP A 95 4.263 11.294 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 95 2.527 13.365 -1.282 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.479 14.144 -3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.951 13.201 -3.553 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.000 11.507 -5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.261 10.393 -7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.248 13.281 -3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.542 10.308 -7.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.430 12.637 -4.234 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.573 11.169 -6.205 1.00 0.00 H new ATOM 1554 N VAL A 96 1.357 10.564 -2.587 1.00 0.00 N ATOM 1555 CA VAL A 96 0.180 9.706 -2.652 1.00 0.00 C ATOM 1556 C VAL A 96 -0.404 9.468 -1.264 1.00 0.00 C ATOM 1557 O VAL A 96 -1.612 9.284 -1.110 1.00 0.00 O ATOM 1558 CB VAL A 96 0.511 8.347 -3.297 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.230 8.546 -4.622 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.347 7.498 -2.350 1.00 0.00 C ATOM 0 H VAL A 96 2.189 10.173 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.555 10.223 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.423 7.820 -3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.456 7.575 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.593 9.113 -5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.158 9.093 -4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.572 6.541 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.278 8.017 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.791 7.326 -1.428 1.00 0.00 H new ATOM 1570 N LEU A 97 0.460 9.474 -0.255 1.00 0.00 N ATOM 1571 CA LEU A 97 0.030 9.260 1.122 1.00 0.00 C ATOM 1572 C LEU A 97 -0.602 10.523 1.698 1.00 0.00 C ATOM 1573 O LEU A 97 -1.783 10.536 2.046 1.00 0.00 O ATOM 1574 CB LEU A 97 1.217 8.830 1.987 1.00 0.00 C ATOM 1575 CG LEU A 97 1.701 7.393 1.795 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.069 7.201 2.431 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.697 6.410 2.380 1.00 0.00 C ATOM 0 H LEU A 97 1.463 9.625 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.719 8.468 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.050 9.503 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.945 8.964 3.034 1.00 0.00 H new ATOM 0 HG LEU A 97 1.789 7.199 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.397 6.172 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.784 7.880 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.007 7.413 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.058 5.392 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.577 6.604 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.264 6.530 1.879 1.00 0.00 H new ATOM 1589 N LYS A 98 0.191 11.585 1.794 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.291 12.855 2.324 1.00 0.00 C ATOM 1591 C LYS A 98 -1.701 13.153 1.824 1.00 0.00 C ATOM 1592 O LYS A 98 -2.489 13.804 2.511 1.00 0.00 O ATOM 1593 CB LYS A 98 0.655 13.989 1.924 1.00 0.00 C ATOM 1594 CG LYS A 98 2.087 13.779 2.385 1.00 0.00 C ATOM 1595 CD LYS A 98 3.076 14.474 1.465 1.00 0.00 C ATOM 1596 CE LYS A 98 3.297 15.922 1.877 1.00 0.00 C ATOM 1597 NZ LYS A 98 2.339 16.842 1.204 1.00 0.00 N ATOM 0 H LYS A 98 1.171 11.591 1.511 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.319 12.780 3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.643 14.095 0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.282 14.925 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.203 14.160 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.307 12.712 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.027 13.941 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.708 14.438 0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.189 16.013 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.317 16.218 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.522 17.819 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.459 16.775 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.366 16.576 1.457 1.00 0.00 H new ATOM 1611 N HIS A 99 -2.012 12.673 0.624 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.329 12.887 0.033 1.00 0.00 C ATOM 1613 C HIS A 99 -4.071 11.564 -0.134 1.00 0.00 C ATOM 1614 O HIS A 99 -4.636 11.288 -1.192 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.196 13.586 -1.320 1.00 0.00 C ATOM 1616 CG HIS A 99 -2.160 14.667 -1.337 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.775 15.358 -0.207 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.426 15.174 -2.355 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.851 16.245 -0.530 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.620 16.153 -1.827 1.00 0.00 N ATOM 0 H HIS A 99 -1.371 12.134 0.042 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.904 13.523 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.948 12.845 -2.080 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.160 14.014 -1.595 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.466 14.866 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.367 16.929 0.151 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.048 16.717 -2.352 1.00 0.00 H new ATOM 1629 N SER A 100 -4.064 10.750 0.916 1.00 0.00 N ATOM 1630 CA SER A 100 -4.732 9.455 0.884 1.00 0.00 C ATOM 1631 C SER A 100 -5.815 9.375 1.956 1.00 0.00 C ATOM 1632 O SER A 100 -6.978 9.104 1.660 1.00 0.00 O ATOM 1633 CB SER A 100 -3.716 8.328 1.084 1.00 0.00 C ATOM 1634 OG SER A 100 -3.486 8.088 2.461 1.00 0.00 O ATOM 0 H SER A 100 -3.603 10.965 1.800 1.00 0.00 H new ATOM 0 HA SER A 100 -5.203 9.341 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.080 7.417 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.777 8.589 0.595 1.00 0.00 H new ATOM 0 HG SER A 100 -2.873 8.767 2.813 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.422 9.613 3.204 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.370 9.563 4.302 1.00 0.00 C ATOM 1642 C GLY A 101 -7.686 10.234 3.962 1.00 0.00 C ATOM 1643 O GLY A 101 -7.801 10.960 2.975 1.00 0.00 O ATOM 0 H GLY A 101 -4.465 9.839 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.555 8.523 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.934 10.046 5.176 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.710 9.990 4.793 1.00 0.00 N ATOM 1648 CA PRO A 102 -10.044 10.566 4.596 1.00 0.00 C ATOM 1649 C PRO A 102 -10.069 12.070 4.848 1.00 0.00 C ATOM 1650 O PRO A 102 -11.115 12.709 4.740 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.902 9.836 5.632 1.00 0.00 C ATOM 1652 CG PRO A 102 -9.943 9.420 6.693 1.00 0.00 C ATOM 1653 CD PRO A 102 -8.645 9.134 5.990 1.00 0.00 C ATOM 0 HA PRO A 102 -10.393 10.444 3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.678 10.488 6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.405 8.974 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.819 10.207 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.304 8.537 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -7.787 9.381 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.554 8.080 5.726 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.911 12.628 5.185 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.801 14.058 5.453 1.00 0.00 C ATOM 1663 C ASN A 103 -7.356 14.527 5.318 1.00 0.00 C ATOM 1664 O ASN A 103 -6.450 13.962 5.931 1.00 0.00 O ATOM 1665 CB ASN A 103 -9.325 14.377 6.854 1.00 0.00 C ATOM 1666 CG ASN A 103 -9.844 15.797 6.968 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -11.052 16.025 7.031 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -8.931 16.761 6.994 1.00 0.00 N ATOM 0 H ASN A 103 -8.036 12.113 5.279 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.406 14.588 4.717 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.124 13.680 7.108 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.527 14.225 7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.221 17.736 7.069 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.940 16.526 6.939 1.00 0.00 H new ATOM 1675 N SER A 104 -7.148 15.563 4.513 1.00 0.00 N ATOM 1676 CA SER A 104 -5.812 16.107 4.295 1.00 0.00 C ATOM 1677 C SER A 104 -5.769 17.594 4.635 1.00 0.00 C ATOM 1678 O SER A 104 -6.807 18.242 4.766 1.00 0.00 O ATOM 1679 CB SER A 104 -5.381 15.891 2.843 1.00 0.00 C ATOM 1680 OG SER A 104 -4.086 16.417 2.613 1.00 0.00 O ATOM 0 H SER A 104 -7.887 16.043 4.000 1.00 0.00 H new ATOM 0 HA SER A 104 -5.120 15.581 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.391 14.826 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.096 16.369 2.173 1.00 0.00 H new ATOM 0 HG SER A 104 -3.440 15.682 2.556 1.00 0.00 H new ATOM 1686 N ALA A 105 -4.560 18.127 4.775 1.00 0.00 N ATOM 1687 CA ALA A 105 -4.380 19.537 5.097 1.00 0.00 C ATOM 1688 C ALA A 105 -3.065 20.065 4.534 1.00 0.00 C ATOM 1689 O ALA A 105 -2.050 19.368 4.543 1.00 0.00 O ATOM 1690 CB ALA A 105 -4.432 19.745 6.604 1.00 0.00 C ATOM 0 H ALA A 105 -3.691 17.604 4.670 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.194 20.096 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.296 20.803 6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.399 19.414 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.639 19.168 7.079 1.00 0.00 H new ATOM 1696 N SER A 106 -3.090 21.300 4.043 1.00 0.00 N ATOM 1697 CA SER A 106 -1.901 21.920 3.471 1.00 0.00 C ATOM 1698 C SER A 106 -1.617 23.265 4.133 1.00 0.00 C ATOM 1699 O SER A 106 -2.534 24.030 4.429 1.00 0.00 O ATOM 1700 CB SER A 106 -2.074 22.108 1.963 1.00 0.00 C ATOM 1701 OG SER A 106 -3.080 23.065 1.680 1.00 0.00 O ATOM 0 H SER A 106 -3.921 21.891 4.030 1.00 0.00 H new ATOM 0 HA SER A 106 -1.054 21.259 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.130 22.428 1.523 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.334 21.155 1.502 1.00 0.00 H new ATOM 0 HG SER A 106 -3.170 23.168 0.710 1.00 0.00 H new ATOM 1707 N GLY A 107 -0.338 23.546 4.364 1.00 0.00 N ATOM 1708 CA GLY A 107 0.046 24.798 4.990 1.00 0.00 C ATOM 1709 C GLY A 107 1.527 24.857 5.308 1.00 0.00 C ATOM 1710 O GLY A 107 1.932 24.936 6.467 1.00 0.00 O ATOM 0 H GLY A 107 0.439 22.929 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.214 25.625 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.525 24.932 5.909 1.00 0.00 H new ATOM 1714 N PRO A 108 2.363 24.818 4.259 1.00 0.00 N ATOM 1715 CA PRO A 108 3.820 24.866 4.407 1.00 0.00 C ATOM 1716 C PRO A 108 4.311 26.232 4.872 1.00 0.00 C ATOM 1717 O PRO A 108 4.276 27.205 4.118 1.00 0.00 O ATOM 1718 CB PRO A 108 4.330 24.567 2.995 1.00 0.00 C ATOM 1719 CG PRO A 108 3.222 24.992 2.095 1.00 0.00 C ATOM 1720 CD PRO A 108 1.949 24.724 2.849 1.00 0.00 C ATOM 0 HA PRO A 108 4.176 24.164 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 108 5.247 25.116 2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.556 23.508 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.310 26.048 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.245 24.435 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.177 25.454 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.542 23.740 2.614 1.00 0.00 H new ATOM 1728 N SER A 109 4.769 26.299 6.118 1.00 0.00 N ATOM 1729 CA SER A 109 5.265 27.548 6.685 1.00 0.00 C ATOM 1730 C SER A 109 6.747 27.735 6.375 1.00 0.00 C ATOM 1731 O SER A 109 7.611 27.226 7.088 1.00 0.00 O ATOM 1732 CB SER A 109 5.042 27.569 8.198 1.00 0.00 C ATOM 1733 OG SER A 109 3.660 27.595 8.510 1.00 0.00 O ATOM 0 H SER A 109 4.807 25.503 6.754 1.00 0.00 H new ATOM 0 HA SER A 109 4.711 28.370 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.503 26.690 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 109 5.532 28.442 8.629 1.00 0.00 H new ATOM 0 HG SER A 109 3.544 27.606 9.483 1.00 0.00 H new ATOM 1739 N SER A 110 7.032 28.469 5.304 1.00 0.00 N ATOM 1740 CA SER A 110 8.409 28.722 4.896 1.00 0.00 C ATOM 1741 C SER A 110 9.041 29.812 5.757 1.00 0.00 C ATOM 1742 O SER A 110 10.124 29.631 6.312 1.00 0.00 O ATOM 1743 CB SER A 110 8.460 29.127 3.421 1.00 0.00 C ATOM 1744 OG SER A 110 7.634 30.252 3.173 1.00 0.00 O ATOM 0 H SER A 110 6.328 28.899 4.704 1.00 0.00 H new ATOM 0 HA SER A 110 8.977 27.802 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.487 29.357 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.138 28.291 2.800 1.00 0.00 H new ATOM 0 HG SER A 110 7.685 30.492 2.224 1.00 0.00 H new ATOM 1750 N GLY A 111 8.354 30.945 5.863 1.00 0.00 N ATOM 1751 CA GLY A 111 8.862 32.048 6.657 1.00 0.00 C ATOM 1752 C GLY A 111 7.754 32.847 7.315 1.00 0.00 C ATOM 1753 O GLY A 111 6.922 33.446 6.633 1.00 0.00 O ATOM 0 H GLY A 111 7.455 31.119 5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.532 31.661 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.453 32.707 6.021 1.00 0.00 H new TER 1757 GLY A 111