USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 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 25 GLN : amide:sc= -0.264 K(o=-2.1,f=-1.5) USER MOD Set 1.2: A 37 MET CE :methyl -106:sc= -1.87! (180deg=-4.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.68 K(o=-0.68,f=-1.5) USER MOD Single : A 8 LYS NZ :NH3+ -143:sc= -0.816 (180deg=-3.2!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -0.845 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.97! K(o=-3!,f=-0.44) USER MOD Single : A 28 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= -0.905 USER MOD Single : A 39 THR OG1 : rot -64:sc= 0.475 USER MOD Single : A 45 MET CE :methyl -158:sc= -0.381 (180deg=-0.9) USER MOD Single : A 46 ASN : amide:sc= -0.256 K(o=-0.26,f=-2!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 50 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 119:sc= -1.35! USER MOD Single : A 54 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.1) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 61 GLN : amide:sc= -4.02 K(o=-4,f=-6.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.2 K(o=-2.2,f=-10!) USER MOD Single : A 72 GLN : amide:sc= -0.668 K(o=-0.67,f=-4.4!) USER MOD Single : A 75 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 76 THR OG1 : rot 75:sc= 0.159 USER MOD Single : A 79 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -147:sc= -2.38! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -14.3! C(o=-14!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 5.066 29.630 0.954 1.00 0.00 N ATOM 2 CA LEU A 3 5.887 28.460 1.367 1.00 0.00 C ATOM 3 C LEU A 3 6.141 27.509 0.198 1.00 0.00 C ATOM 4 O LEU A 3 7.202 26.896 0.116 1.00 0.00 O ATOM 5 CB LEU A 3 5.165 27.730 2.502 1.00 0.00 C ATOM 6 CG LEU A 3 3.680 27.454 2.259 1.00 0.00 C ATOM 7 CD1 LEU A 3 3.253 26.178 2.966 1.00 0.00 C ATOM 8 CD2 LEU A 3 2.838 28.632 2.726 1.00 0.00 C ATOM 0 HA LEU A 3 6.859 28.815 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.670 26.781 2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.264 28.320 3.413 1.00 0.00 H new ATOM 0 HG LEU A 3 3.523 27.322 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.194 25.997 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.836 25.339 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.423 26.282 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.784 28.420 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.999 28.794 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.127 29.527 2.175 1.00 0.00 H new ATOM 22 N LEU A 4 5.157 27.401 -0.701 1.00 0.00 N ATOM 23 CA LEU A 4 5.240 26.534 -1.888 1.00 0.00 C ATOM 24 C LEU A 4 6.024 25.243 -1.637 1.00 0.00 C ATOM 25 O LEU A 4 5.436 24.176 -1.455 1.00 0.00 O ATOM 26 CB LEU A 4 5.850 27.286 -3.079 1.00 0.00 C ATOM 27 CG LEU A 4 6.912 28.337 -2.739 1.00 0.00 C ATOM 28 CD1 LEU A 4 8.074 28.254 -3.717 1.00 0.00 C ATOM 29 CD2 LEU A 4 6.303 29.732 -2.748 1.00 0.00 C ATOM 0 H LEU A 4 4.277 27.912 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 4 4.214 26.251 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.294 26.555 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.044 27.777 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 4 7.291 28.135 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.819 29.007 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.526 27.263 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.711 28.432 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.071 30.466 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.898 29.946 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.504 29.785 -2.009 1.00 0.00 H new ATOM 41 N LYS A 5 7.348 25.344 -1.648 1.00 0.00 N ATOM 42 CA LYS A 5 8.214 24.185 -1.444 1.00 0.00 C ATOM 43 C LYS A 5 7.809 23.393 -0.205 1.00 0.00 C ATOM 44 O LYS A 5 7.974 22.174 -0.158 1.00 0.00 O ATOM 45 CB LYS A 5 9.671 24.631 -1.315 1.00 0.00 C ATOM 46 CG LYS A 5 9.904 25.626 -0.187 1.00 0.00 C ATOM 47 CD LYS A 5 11.118 25.248 0.648 1.00 0.00 C ATOM 48 CE LYS A 5 11.414 26.302 1.704 1.00 0.00 C ATOM 49 NZ LYS A 5 12.485 27.238 1.267 1.00 0.00 N ATOM 0 H LYS A 5 7.849 26.220 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 5 8.105 23.536 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.298 23.754 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.990 25.079 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.044 26.624 -0.603 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.021 25.668 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.945 24.286 1.130 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.985 25.127 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.506 26.865 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.715 25.813 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.658 27.941 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.359 26.705 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.188 27.723 0.397 1.00 0.00 H new ATOM 63 N ALA A 6 7.272 24.085 0.793 1.00 0.00 N ATOM 64 CA ALA A 6 6.840 23.427 2.021 1.00 0.00 C ATOM 65 C ALA A 6 5.788 22.365 1.722 1.00 0.00 C ATOM 66 O ALA A 6 5.861 21.244 2.227 1.00 0.00 O ATOM 67 CB ALA A 6 6.301 24.447 3.011 1.00 0.00 C ATOM 0 H ALA A 6 7.126 25.094 0.777 1.00 0.00 H new ATOM 0 HA ALA A 6 7.704 22.936 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.983 23.938 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.082 25.168 3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.450 24.967 2.571 1.00 0.00 H new ATOM 73 N ASN A 7 4.818 22.722 0.887 1.00 0.00 N ATOM 74 CA ASN A 7 3.761 21.794 0.509 1.00 0.00 C ATOM 75 C ASN A 7 4.344 20.620 -0.269 1.00 0.00 C ATOM 76 O ASN A 7 4.047 19.461 0.019 1.00 0.00 O ATOM 77 CB ASN A 7 2.698 22.504 -0.333 1.00 0.00 C ATOM 78 CG ASN A 7 1.835 23.439 0.491 1.00 0.00 C ATOM 79 OD1 ASN A 7 2.164 24.612 0.669 1.00 0.00 O ATOM 80 ND2 ASN A 7 0.722 22.923 1.000 1.00 0.00 N ATOM 0 H ASN A 7 4.743 23.645 0.460 1.00 0.00 H new ATOM 0 HA ASN A 7 3.291 21.419 1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.186 23.070 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.064 21.760 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.102 23.504 1.563 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.488 21.945 0.827 1.00 0.00 H new ATOM 87 N LYS A 8 5.181 20.931 -1.255 1.00 0.00 N ATOM 88 CA LYS A 8 5.815 19.907 -2.077 1.00 0.00 C ATOM 89 C LYS A 8 6.692 18.993 -1.229 1.00 0.00 C ATOM 90 O LYS A 8 6.899 17.828 -1.567 1.00 0.00 O ATOM 91 CB LYS A 8 6.652 20.556 -3.181 1.00 0.00 C ATOM 92 CG LYS A 8 5.820 21.226 -4.264 1.00 0.00 C ATOM 93 CD LYS A 8 6.180 22.695 -4.419 1.00 0.00 C ATOM 94 CE LYS A 8 7.442 22.875 -5.249 1.00 0.00 C ATOM 95 NZ LYS A 8 8.323 23.939 -4.695 1.00 0.00 N ATOM 0 H LYS A 8 5.436 21.887 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 8 5.029 19.305 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.315 21.297 -2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.285 19.796 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.974 20.711 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.762 21.134 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.353 23.225 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.324 23.141 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.989 21.933 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.170 23.126 -6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.766 24.464 -5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.757 24.592 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.062 23.506 -4.106 1.00 0.00 H new ATOM 109 N ASP A 9 7.214 19.523 -0.128 1.00 0.00 N ATOM 110 CA ASP A 9 8.066 18.734 0.750 1.00 0.00 C ATOM 111 C ASP A 9 7.234 17.737 1.544 1.00 0.00 C ATOM 112 O ASP A 9 7.588 16.562 1.644 1.00 0.00 O ATOM 113 CB ASP A 9 8.852 19.645 1.697 1.00 0.00 C ATOM 114 CG ASP A 9 10.296 19.209 1.853 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.527 18.072 2.315 1.00 0.00 O ATOM 116 OD2 ASP A 9 11.196 20.005 1.512 1.00 0.00 O ATOM 0 H ASP A 9 7.064 20.485 0.174 1.00 0.00 H new ATOM 0 HA ASP A 9 8.775 18.181 0.134 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.823 20.668 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.370 19.651 2.674 1.00 0.00 H new ATOM 121 N LEU A 10 6.113 18.201 2.091 1.00 0.00 N ATOM 122 CA LEU A 10 5.230 17.328 2.853 1.00 0.00 C ATOM 123 C LEU A 10 4.709 16.216 1.956 1.00 0.00 C ATOM 124 O LEU A 10 4.727 15.037 2.325 1.00 0.00 O ATOM 125 CB LEU A 10 4.063 18.122 3.438 1.00 0.00 C ATOM 126 CG LEU A 10 3.264 17.394 4.520 1.00 0.00 C ATOM 127 CD1 LEU A 10 3.965 17.506 5.866 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.852 17.952 4.604 1.00 0.00 C ATOM 0 H LEU A 10 5.798 19.169 2.021 1.00 0.00 H new ATOM 0 HA LEU A 10 5.794 16.891 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.449 19.052 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.386 18.394 2.628 1.00 0.00 H new ATOM 0 HG LEU A 10 3.201 16.339 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.383 16.982 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.957 17.059 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.058 18.557 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.297 17.423 5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.894 19.013 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.351 17.820 3.645 1.00 0.00 H new ATOM 140 N ILE A 11 4.262 16.592 0.760 1.00 0.00 N ATOM 141 CA ILE A 11 3.762 15.614 -0.186 1.00 0.00 C ATOM 142 C ILE A 11 4.868 14.636 -0.542 1.00 0.00 C ATOM 143 O ILE A 11 4.693 13.429 -0.418 1.00 0.00 O ATOM 144 CB ILE A 11 3.173 16.269 -1.460 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.188 15.314 -2.128 1.00 0.00 C ATOM 146 CG2 ILE A 11 4.252 16.695 -2.445 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.004 16.010 -2.754 1.00 0.00 C ATOM 0 H ILE A 11 4.238 17.557 0.431 1.00 0.00 H new ATOM 0 HA ILE A 11 2.942 15.078 0.292 1.00 0.00 H new ATOM 0 HB ILE A 11 2.650 17.174 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.711 14.743 -2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.829 14.599 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.787 17.148 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.913 17.419 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.830 15.823 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.346 15.270 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.457 16.558 -1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.353 16.705 -3.518 1.00 0.00 H new ATOM 159 N SER A 12 6.011 15.160 -0.977 1.00 0.00 N ATOM 160 CA SER A 12 7.143 14.316 -1.336 1.00 0.00 C ATOM 161 C SER A 12 7.470 13.348 -0.203 1.00 0.00 C ATOM 162 O SER A 12 7.907 12.226 -0.439 1.00 0.00 O ATOM 163 CB SER A 12 8.366 15.177 -1.659 1.00 0.00 C ATOM 164 OG SER A 12 9.338 14.438 -2.379 1.00 0.00 O ATOM 0 H SER A 12 6.176 16.160 -1.088 1.00 0.00 H new ATOM 0 HA SER A 12 6.874 13.739 -2.221 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.059 16.045 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.803 15.554 -0.734 1.00 0.00 H new ATOM 0 HG SER A 12 10.108 15.012 -2.574 1.00 0.00 H new ATOM 170 N ALA A 13 7.253 13.799 1.027 1.00 0.00 N ATOM 171 CA ALA A 13 7.522 12.969 2.193 1.00 0.00 C ATOM 172 C ALA A 13 6.554 11.799 2.256 1.00 0.00 C ATOM 173 O ALA A 13 6.956 10.667 2.515 1.00 0.00 O ATOM 174 CB ALA A 13 7.464 13.795 3.469 1.00 0.00 C ATOM 0 H ALA A 13 6.894 14.729 1.241 1.00 0.00 H new ATOM 0 HA ALA A 13 8.531 12.566 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.668 13.154 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.210 14.588 3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.472 14.235 3.573 1.00 0.00 H new ATOM 180 N GLY A 14 5.289 12.067 1.962 1.00 0.00 N ATOM 181 CA GLY A 14 4.306 10.996 1.937 1.00 0.00 C ATOM 182 C GLY A 14 4.557 10.108 0.736 1.00 0.00 C ATOM 183 O GLY A 14 4.395 8.890 0.786 1.00 0.00 O ATOM 0 H GLY A 14 4.926 12.995 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.367 10.411 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.300 11.413 1.891 1.00 0.00 H new ATOM 187 N LEU A 15 4.973 10.764 -0.337 1.00 0.00 N ATOM 188 CA LEU A 15 5.287 10.095 -1.585 1.00 0.00 C ATOM 189 C LEU A 15 6.400 9.084 -1.365 1.00 0.00 C ATOM 190 O LEU A 15 6.210 7.890 -1.575 1.00 0.00 O ATOM 191 CB LEU A 15 5.674 11.107 -2.660 1.00 0.00 C ATOM 192 CG LEU A 15 4.603 11.361 -3.723 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.552 12.330 -3.203 1.00 0.00 C ATOM 194 CD2 LEU A 15 5.234 11.893 -5.000 1.00 0.00 C ATOM 0 H LEU A 15 5.102 11.775 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 15 4.400 9.566 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.917 12.053 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.581 10.760 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 15 4.114 10.414 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.799 12.498 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.077 11.910 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.026 13.277 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.457 12.068 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.750 12.829 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.947 11.164 -5.384 1.00 0.00 H new ATOM 206 N LYS A 16 7.559 9.564 -0.937 1.00 0.00 N ATOM 207 CA LYS A 16 8.694 8.686 -0.686 1.00 0.00 C ATOM 208 C LYS A 16 8.332 7.643 0.365 1.00 0.00 C ATOM 209 O LYS A 16 8.737 6.485 0.280 1.00 0.00 O ATOM 210 CB LYS A 16 9.904 9.508 -0.228 1.00 0.00 C ATOM 211 CG LYS A 16 11.087 8.667 0.219 1.00 0.00 C ATOM 212 CD LYS A 16 11.840 8.086 -0.968 1.00 0.00 C ATOM 213 CE LYS A 16 13.347 8.205 -0.789 1.00 0.00 C ATOM 214 NZ LYS A 16 13.971 6.896 -0.452 1.00 0.00 N ATOM 0 H LYS A 16 7.738 10.552 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 16 8.952 8.170 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.220 10.157 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.600 10.156 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.764 9.278 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.738 7.858 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.570 7.037 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.539 8.604 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.792 8.594 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.563 8.924 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.997 7.020 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.565 6.536 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.787 6.216 -1.217 1.00 0.00 H new ATOM 228 N GLU A 17 7.550 8.067 1.346 1.00 0.00 N ATOM 229 CA GLU A 17 7.111 7.174 2.409 1.00 0.00 C ATOM 230 C GLU A 17 6.289 6.029 1.834 1.00 0.00 C ATOM 231 O GLU A 17 6.499 4.864 2.177 1.00 0.00 O ATOM 232 CB GLU A 17 6.295 7.936 3.455 1.00 0.00 C ATOM 233 CG GLU A 17 6.122 7.179 4.761 1.00 0.00 C ATOM 234 CD GLU A 17 7.357 7.241 5.639 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.682 8.343 6.130 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.999 6.188 5.836 1.00 0.00 O ATOM 0 H GLU A 17 7.206 9.024 1.429 1.00 0.00 H new ATOM 0 HA GLU A 17 7.996 6.762 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.782 8.890 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.312 8.162 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.272 7.591 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.887 6.137 4.544 1.00 0.00 H new ATOM 243 N PHE A 18 5.348 6.367 0.961 1.00 0.00 N ATOM 244 CA PHE A 18 4.489 5.366 0.341 1.00 0.00 C ATOM 245 C PHE A 18 5.266 4.522 -0.663 1.00 0.00 C ATOM 246 O PHE A 18 5.208 3.294 -0.627 1.00 0.00 O ATOM 247 CB PHE A 18 3.292 6.043 -0.340 1.00 0.00 C ATOM 248 CG PHE A 18 2.021 5.223 -0.373 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.823 4.144 0.483 1.00 0.00 C ATOM 250 CD2 PHE A 18 1.013 5.546 -1.269 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.650 3.412 0.441 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.161 4.818 -1.313 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.342 3.750 -0.458 1.00 0.00 C ATOM 0 H PHE A 18 5.160 7.325 0.667 1.00 0.00 H new ATOM 0 HA PHE A 18 4.120 4.702 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.086 6.982 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.571 6.293 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.595 3.875 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.147 6.379 -1.943 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.510 2.577 1.111 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.936 5.085 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.258 3.179 -0.492 1.00 0.00 H new ATOM 263 N SER A 19 6.004 5.178 -1.555 1.00 0.00 N ATOM 264 CA SER A 19 6.792 4.471 -2.559 1.00 0.00 C ATOM 265 C SER A 19 7.743 3.485 -1.891 1.00 0.00 C ATOM 266 O SER A 19 7.843 2.327 -2.299 1.00 0.00 O ATOM 267 CB SER A 19 7.582 5.461 -3.416 1.00 0.00 C ATOM 268 OG SER A 19 8.514 6.185 -2.632 1.00 0.00 O ATOM 0 H SER A 19 6.072 6.195 -1.603 1.00 0.00 H new ATOM 0 HA SER A 19 6.108 3.919 -3.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.107 4.924 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.896 6.154 -3.902 1.00 0.00 H new ATOM 0 HG SER A 19 9.113 6.690 -3.220 1.00 0.00 H new ATOM 274 N VAL A 20 8.430 3.948 -0.853 1.00 0.00 N ATOM 275 CA VAL A 20 9.360 3.103 -0.123 1.00 0.00 C ATOM 276 C VAL A 20 8.608 2.019 0.636 1.00 0.00 C ATOM 277 O VAL A 20 9.102 0.910 0.800 1.00 0.00 O ATOM 278 CB VAL A 20 10.218 3.921 0.865 1.00 0.00 C ATOM 279 CG1 VAL A 20 11.186 3.021 1.622 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.973 5.017 0.131 1.00 0.00 C ATOM 0 H VAL A 20 8.359 4.903 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 20 10.025 2.644 -0.855 1.00 0.00 H new ATOM 0 HB VAL A 20 9.550 4.385 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.779 3.622 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.625 2.273 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.848 2.522 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.573 5.584 0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.626 4.570 -0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.263 5.684 -0.358 1.00 0.00 H new ATOM 290 N LEU A 21 7.403 2.343 1.094 1.00 0.00 N ATOM 291 CA LEU A 21 6.592 1.383 1.831 1.00 0.00 C ATOM 292 C LEU A 21 6.248 0.183 0.951 1.00 0.00 C ATOM 293 O LEU A 21 6.365 -0.966 1.378 1.00 0.00 O ATOM 294 CB LEU A 21 5.310 2.053 2.329 1.00 0.00 C ATOM 295 CG LEU A 21 4.301 1.122 3.000 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.595 0.996 4.486 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.885 1.628 2.777 1.00 0.00 C ATOM 0 H LEU A 21 6.969 3.258 0.968 1.00 0.00 H new ATOM 0 HA LEU A 21 7.166 1.030 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.581 2.837 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.823 2.540 1.484 1.00 0.00 H new ATOM 0 HG LEU A 21 4.390 0.134 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.866 0.329 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.597 0.590 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.534 1.979 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.178 0.955 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.784 2.627 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.676 1.666 1.708 1.00 0.00 H new ATOM 309 N LEU A 22 5.827 0.460 -0.278 1.00 0.00 N ATOM 310 CA LEU A 22 5.469 -0.600 -1.218 1.00 0.00 C ATOM 311 C LEU A 22 6.717 -1.313 -1.723 1.00 0.00 C ATOM 312 O LEU A 22 6.680 -2.501 -2.042 1.00 0.00 O ATOM 313 CB LEU A 22 4.679 -0.029 -2.402 1.00 0.00 C ATOM 314 CG LEU A 22 3.613 1.007 -2.034 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.165 1.774 -3.267 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.427 0.339 -1.357 1.00 0.00 C ATOM 0 H LEU A 22 5.725 1.405 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 22 4.842 -1.320 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.381 0.427 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.196 -0.853 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 22 4.052 1.715 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.407 2.505 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.020 2.288 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.746 1.080 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.681 1.092 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.987 -0.394 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.761 -0.161 -0.448 1.00 0.00 H new ATOM 328 N ASN A 23 7.821 -0.577 -1.799 1.00 0.00 N ATOM 329 CA ASN A 23 9.082 -1.137 -2.271 1.00 0.00 C ATOM 330 C ASN A 23 9.819 -1.876 -1.157 1.00 0.00 C ATOM 331 O ASN A 23 10.555 -2.828 -1.420 1.00 0.00 O ATOM 332 CB ASN A 23 9.975 -0.030 -2.835 1.00 0.00 C ATOM 333 CG ASN A 23 10.756 -0.481 -4.055 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.234 -0.503 -5.169 1.00 0.00 O ATOM 335 ND2 ASN A 23 12.017 -0.843 -3.848 1.00 0.00 N ATOM 0 H ASN A 23 7.868 0.408 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 23 8.850 -1.854 -3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.360 0.830 -3.099 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.671 0.300 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.593 -1.155 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.409 -0.809 -2.907 1.00 0.00 H new ATOM 342 N GLN A 24 9.630 -1.434 0.085 1.00 0.00 N ATOM 343 CA GLN A 24 10.297 -2.063 1.222 1.00 0.00 C ATOM 344 C GLN A 24 9.336 -2.870 2.080 1.00 0.00 C ATOM 345 O GLN A 24 9.715 -3.348 3.150 1.00 0.00 O ATOM 346 CB GLN A 24 11.017 -1.020 2.081 1.00 0.00 C ATOM 347 CG GLN A 24 12.513 -0.947 1.823 1.00 0.00 C ATOM 348 CD GLN A 24 12.842 -0.617 0.381 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.697 -1.254 -0.235 1.00 0.00 O ATOM 350 NE2 GLN A 24 12.164 0.384 -0.168 1.00 0.00 N ATOM 0 H GLN A 24 9.026 -0.649 0.328 1.00 0.00 H new ATOM 0 HA GLN A 24 11.032 -2.754 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.576 -0.041 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.849 -1.250 3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.953 -0.192 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.970 -1.901 2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.464 0.886 0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.343 0.651 -1.136 1.00 0.00 H new ATOM 359 N GLN A 25 8.108 -3.070 1.598 1.00 0.00 N ATOM 360 CA GLN A 25 7.149 -3.886 2.337 1.00 0.00 C ATOM 361 C GLN A 25 7.877 -5.169 2.725 1.00 0.00 C ATOM 362 O GLN A 25 8.893 -5.489 2.105 1.00 0.00 O ATOM 363 CB GLN A 25 5.921 -4.202 1.477 1.00 0.00 C ATOM 364 CG GLN A 25 4.631 -3.597 2.007 1.00 0.00 C ATOM 365 CD GLN A 25 3.955 -4.478 3.038 1.00 0.00 C ATOM 366 OE1 GLN A 25 3.656 -4.038 4.149 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.707 -5.730 2.674 1.00 0.00 N ATOM 0 H GLN A 25 7.761 -2.687 0.719 1.00 0.00 H new ATOM 0 HA GLN A 25 6.788 -3.356 3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.094 -3.837 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.804 -5.284 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.845 -2.624 2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.946 -3.425 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.972 -6.053 1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.252 -6.370 3.325 1.00 0.00 H new ATOM 376 N VAL A 26 7.414 -5.918 3.713 1.00 0.00 N ATOM 377 CA VAL A 26 8.112 -7.139 4.081 1.00 0.00 C ATOM 378 C VAL A 26 7.266 -8.348 3.737 1.00 0.00 C ATOM 379 O VAL A 26 6.056 -8.350 3.960 1.00 0.00 O ATOM 380 CB VAL A 26 8.454 -7.161 5.585 1.00 0.00 C ATOM 381 CG1 VAL A 26 7.186 -7.116 6.427 1.00 0.00 C ATOM 382 CG2 VAL A 26 9.288 -8.386 5.927 1.00 0.00 C ATOM 0 H VAL A 26 6.580 -5.710 4.262 1.00 0.00 H new ATOM 0 HA VAL A 26 9.044 -7.171 3.516 1.00 0.00 H new ATOM 0 HB VAL A 26 9.044 -6.274 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.451 -7.132 7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.634 -6.203 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.564 -7.981 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.519 -8.383 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.728 -9.288 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.215 -8.366 5.355 1.00 0.00 H new ATOM 392 N PHE A 27 7.898 -9.380 3.196 1.00 0.00 N ATOM 393 CA PHE A 27 7.169 -10.581 2.837 1.00 0.00 C ATOM 394 C PHE A 27 7.647 -11.764 3.664 1.00 0.00 C ATOM 395 O PHE A 27 8.630 -12.426 3.332 1.00 0.00 O ATOM 396 CB PHE A 27 7.347 -10.854 1.342 1.00 0.00 C ATOM 397 CG PHE A 27 6.972 -9.679 0.473 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.700 -8.491 0.512 1.00 0.00 C ATOM 399 CD2 PHE A 27 5.885 -9.761 -0.384 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.345 -7.421 -0.285 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.530 -8.691 -1.182 1.00 0.00 C ATOM 402 CZ PHE A 27 6.259 -7.521 -1.132 1.00 0.00 C ATOM 0 H PHE A 27 8.899 -9.408 3.000 1.00 0.00 H new ATOM 0 HA PHE A 27 6.109 -10.435 3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.386 -11.123 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.738 -11.714 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.550 -8.407 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.309 -10.673 -0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.917 -6.506 -0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.681 -8.770 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.981 -6.684 -1.755 1.00 0.00 H new ATOM 412 N ASN A 28 6.932 -12.005 4.756 1.00 0.00 N ATOM 413 CA ASN A 28 7.258 -13.092 5.665 1.00 0.00 C ATOM 414 C ASN A 28 6.012 -13.639 6.347 1.00 0.00 C ATOM 415 O ASN A 28 5.065 -12.903 6.625 1.00 0.00 O ATOM 416 CB ASN A 28 8.260 -12.616 6.717 1.00 0.00 C ATOM 417 CG ASN A 28 9.665 -12.498 6.161 1.00 0.00 C ATOM 418 OD1 ASN A 28 10.263 -11.422 6.174 1.00 0.00 O ATOM 419 ND2 ASN A 28 10.200 -13.608 5.668 1.00 0.00 N ATOM 0 H ASN A 28 6.118 -11.457 5.033 1.00 0.00 H new ATOM 0 HA ASN A 28 7.703 -13.896 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.943 -11.648 7.106 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.261 -13.312 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.143 -13.591 5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.668 -14.478 5.678 1.00 0.00 H new ATOM 426 N ASP A 29 6.032 -14.932 6.629 1.00 0.00 N ATOM 427 CA ASP A 29 4.917 -15.589 7.299 1.00 0.00 C ATOM 428 C ASP A 29 4.809 -15.110 8.749 1.00 0.00 C ATOM 429 O ASP A 29 5.825 -14.854 9.396 1.00 0.00 O ATOM 430 CB ASP A 29 5.099 -17.109 7.264 1.00 0.00 C ATOM 431 CG ASP A 29 6.349 -17.558 7.994 1.00 0.00 C ATOM 432 OD1 ASP A 29 6.336 -17.569 9.244 1.00 0.00 O ATOM 433 OD2 ASP A 29 7.342 -17.898 7.317 1.00 0.00 O ATOM 0 H ASP A 29 6.811 -15.551 6.404 1.00 0.00 H new ATOM 0 HA ASP A 29 3.998 -15.330 6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.228 -17.587 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.147 -17.443 6.227 1.00 0.00 H new ATOM 438 N PRO A 30 3.580 -14.977 9.289 1.00 0.00 N ATOM 439 CA PRO A 30 2.338 -15.268 8.561 1.00 0.00 C ATOM 440 C PRO A 30 2.056 -14.248 7.465 1.00 0.00 C ATOM 441 O PRO A 30 2.046 -13.042 7.710 1.00 0.00 O ATOM 442 CB PRO A 30 1.263 -15.193 9.647 1.00 0.00 C ATOM 443 CG PRO A 30 1.832 -14.284 10.678 1.00 0.00 C ATOM 444 CD PRO A 30 3.317 -14.526 10.667 1.00 0.00 C ATOM 0 HA PRO A 30 2.382 -16.230 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.325 -14.804 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.049 -16.178 10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.604 -13.243 10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.409 -14.494 11.660 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.873 -13.620 10.906 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.607 -15.280 11.399 1.00 0.00 H new ATOM 452 N LEU A 31 1.833 -14.744 6.255 1.00 0.00 N ATOM 453 CA LEU A 31 1.555 -13.882 5.114 1.00 0.00 C ATOM 454 C LEU A 31 0.148 -13.306 5.201 1.00 0.00 C ATOM 455 O LEU A 31 -0.826 -14.039 5.378 1.00 0.00 O ATOM 456 CB LEU A 31 1.729 -14.659 3.809 1.00 0.00 C ATOM 457 CG LEU A 31 3.174 -15.022 3.463 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.218 -16.249 2.566 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.873 -13.845 2.799 1.00 0.00 C ATOM 0 H LEU A 31 1.839 -15.741 6.038 1.00 0.00 H new ATOM 0 HA LEU A 31 2.265 -13.055 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.144 -15.577 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.313 -14.068 2.993 1.00 0.00 H new ATOM 0 HG LEU A 31 3.701 -15.258 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.255 -16.491 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.756 -17.092 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.675 -16.045 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.900 -14.120 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.346 -13.578 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.875 -12.993 3.478 1.00 0.00 H new ATOM 471 N VAL A 32 0.048 -11.989 5.072 1.00 0.00 N ATOM 472 CA VAL A 32 -1.239 -11.310 5.134 1.00 0.00 C ATOM 473 C VAL A 32 -2.047 -11.564 3.864 1.00 0.00 C ATOM 474 O VAL A 32 -1.494 -11.606 2.765 1.00 0.00 O ATOM 475 CB VAL A 32 -1.057 -9.793 5.343 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.232 -9.187 4.221 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.404 -9.101 5.460 1.00 0.00 C ATOM 0 H VAL A 32 0.844 -11.369 4.924 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.784 -11.715 5.987 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.516 -9.642 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.118 -8.116 4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.751 -9.658 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.736 -9.351 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.252 -8.032 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.977 -9.264 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.951 -9.510 6.310 1.00 0.00 H new ATOM 487 N SER A 33 -3.354 -11.763 4.022 1.00 0.00 N ATOM 488 CA SER A 33 -4.228 -12.046 2.887 1.00 0.00 C ATOM 489 C SER A 33 -4.604 -10.776 2.129 1.00 0.00 C ATOM 490 O SER A 33 -4.266 -9.667 2.540 1.00 0.00 O ATOM 491 CB SER A 33 -5.495 -12.758 3.365 1.00 0.00 C ATOM 492 OG SER A 33 -6.020 -12.140 4.527 1.00 0.00 O ATOM 0 H SER A 33 -3.830 -11.733 4.924 1.00 0.00 H new ATOM 0 HA SER A 33 -3.679 -12.693 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.244 -12.745 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.271 -13.804 3.575 1.00 0.00 H new ATOM 0 HG SER A 33 -6.830 -12.613 4.811 1.00 0.00 H new ATOM 498 N GLU A 34 -5.293 -10.960 1.005 1.00 0.00 N ATOM 499 CA GLU A 34 -5.710 -9.846 0.158 1.00 0.00 C ATOM 500 C GLU A 34 -6.669 -8.907 0.878 1.00 0.00 C ATOM 501 O GLU A 34 -6.528 -7.689 0.798 1.00 0.00 O ATOM 502 CB GLU A 34 -6.361 -10.374 -1.123 1.00 0.00 C ATOM 503 CG GLU A 34 -5.847 -9.705 -2.386 1.00 0.00 C ATOM 504 CD GLU A 34 -6.945 -9.452 -3.401 1.00 0.00 C ATOM 505 OE1 GLU A 34 -7.300 -10.396 -4.139 1.00 0.00 O ATOM 506 OE2 GLU A 34 -7.451 -8.312 -3.456 1.00 0.00 O ATOM 0 H GLU A 34 -5.576 -11.877 0.658 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.816 -9.275 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.186 -11.448 -1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.440 -10.230 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.374 -8.758 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.078 -10.332 -2.837 1.00 0.00 H new ATOM 513 N GLU A 35 -7.643 -9.472 1.581 1.00 0.00 N ATOM 514 CA GLU A 35 -8.618 -8.666 2.310 1.00 0.00 C ATOM 515 C GLU A 35 -7.944 -7.913 3.449 1.00 0.00 C ATOM 516 O GLU A 35 -8.271 -6.757 3.731 1.00 0.00 O ATOM 517 CB GLU A 35 -9.743 -9.549 2.857 1.00 0.00 C ATOM 518 CG GLU A 35 -9.253 -10.834 3.507 1.00 0.00 C ATOM 519 CD GLU A 35 -9.851 -11.057 4.883 1.00 0.00 C ATOM 520 OE1 GLU A 35 -9.364 -10.434 5.850 1.00 0.00 O ATOM 521 OE2 GLU A 35 -10.805 -11.856 4.993 1.00 0.00 O ATOM 0 H GLU A 35 -7.780 -10.480 1.663 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.047 -7.942 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.317 -8.979 3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.423 -9.801 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.502 -11.679 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.166 -10.805 3.588 1.00 0.00 H new ATOM 528 N ASP A 36 -6.976 -8.567 4.078 1.00 0.00 N ATOM 529 CA ASP A 36 -6.232 -7.953 5.164 1.00 0.00 C ATOM 530 C ASP A 36 -5.313 -6.878 4.601 1.00 0.00 C ATOM 531 O ASP A 36 -5.125 -5.822 5.205 1.00 0.00 O ATOM 532 CB ASP A 36 -5.428 -9.003 5.929 1.00 0.00 C ATOM 533 CG ASP A 36 -6.294 -9.822 6.865 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.955 -10.768 6.387 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.312 -9.519 8.077 1.00 0.00 O ATOM 0 H ASP A 36 -6.690 -9.520 3.854 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.932 -7.495 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.935 -9.667 5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.643 -8.510 6.502 1.00 0.00 H new ATOM 540 N MET A 37 -4.766 -7.148 3.417 1.00 0.00 N ATOM 541 CA MET A 37 -3.895 -6.196 2.747 1.00 0.00 C ATOM 542 C MET A 37 -4.702 -4.973 2.337 1.00 0.00 C ATOM 543 O MET A 37 -4.279 -3.835 2.539 1.00 0.00 O ATOM 544 CB MET A 37 -3.243 -6.832 1.518 1.00 0.00 C ATOM 545 CG MET A 37 -1.924 -6.186 1.127 1.00 0.00 C ATOM 546 SD MET A 37 -0.557 -6.714 2.177 1.00 0.00 S ATOM 547 CE MET A 37 0.384 -5.196 2.303 1.00 0.00 C ATOM 0 H MET A 37 -4.913 -8.018 2.906 1.00 0.00 H new ATOM 0 HA MET A 37 -3.105 -5.896 3.435 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.076 -7.891 1.713 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.933 -6.768 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.697 -6.432 0.090 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.023 -5.102 1.184 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.283 -5.273 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.223 -4.361 1.953 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.666 -5.028 3.342 1.00 0.00 H new ATOM 557 N VAL A 38 -5.882 -5.222 1.769 1.00 0.00 N ATOM 558 CA VAL A 38 -6.764 -4.145 1.343 1.00 0.00 C ATOM 559 C VAL A 38 -7.053 -3.215 2.512 1.00 0.00 C ATOM 560 O VAL A 38 -6.971 -1.995 2.379 1.00 0.00 O ATOM 561 CB VAL A 38 -8.093 -4.687 0.778 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.008 -3.544 0.357 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.833 -5.628 -0.390 1.00 0.00 C ATOM 0 H VAL A 38 -6.245 -6.159 1.595 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.255 -3.597 0.550 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.595 -5.249 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.939 -3.950 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.224 -2.914 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.516 -2.949 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.782 -6.000 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.306 -5.092 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.224 -6.467 -0.053 1.00 0.00 H new ATOM 573 N THR A 39 -7.369 -3.798 3.667 1.00 0.00 N ATOM 574 CA THR A 39 -7.640 -3.006 4.860 1.00 0.00 C ATOM 575 C THR A 39 -6.421 -2.156 5.206 1.00 0.00 C ATOM 576 O THR A 39 -6.539 -0.967 5.499 1.00 0.00 O ATOM 577 CB THR A 39 -8.001 -3.913 6.041 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.914 -5.280 5.674 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.396 -3.670 6.577 1.00 0.00 C ATOM 0 H THR A 39 -7.443 -4.807 3.800 1.00 0.00 H new ATOM 0 HA THR A 39 -8.488 -2.352 4.658 1.00 0.00 H new ATOM 0 HB THR A 39 -7.280 -3.669 6.821 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.576 -5.475 4.978 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.588 -4.345 7.411 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.480 -2.638 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.126 -3.852 5.788 1.00 0.00 H new ATOM 587 N VAL A 40 -5.245 -2.782 5.163 1.00 0.00 N ATOM 588 CA VAL A 40 -3.995 -2.092 5.463 1.00 0.00 C ATOM 589 C VAL A 40 -3.821 -0.863 4.574 1.00 0.00 C ATOM 590 O VAL A 40 -3.502 0.224 5.055 1.00 0.00 O ATOM 591 CB VAL A 40 -2.781 -3.022 5.277 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.501 -2.330 5.726 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.984 -4.329 6.032 1.00 0.00 C ATOM 0 H VAL A 40 -5.134 -3.767 4.923 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.047 -1.780 6.506 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.687 -3.255 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.655 -3.003 5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.348 -1.428 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.582 -2.063 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.115 -4.971 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.108 -4.120 7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.874 -4.832 5.655 1.00 0.00 H new ATOM 603 N VAL A 41 -4.040 -1.043 3.275 1.00 0.00 N ATOM 604 CA VAL A 41 -3.915 0.052 2.322 1.00 0.00 C ATOM 605 C VAL A 41 -5.019 1.082 2.533 1.00 0.00 C ATOM 606 O VAL A 41 -4.776 2.286 2.477 1.00 0.00 O ATOM 607 CB VAL A 41 -3.972 -0.457 0.867 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.714 0.680 -0.110 1.00 0.00 C ATOM 609 CG2 VAL A 41 -2.976 -1.587 0.656 1.00 0.00 C ATOM 0 H VAL A 41 -4.305 -1.936 2.860 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.944 0.517 2.495 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.973 -0.846 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.759 0.300 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.471 1.453 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.727 1.103 0.077 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.031 -1.933 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.968 -1.228 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.214 -2.412 1.328 1.00 0.00 H new ATOM 619 N GLU A 42 -6.233 0.597 2.773 1.00 0.00 N ATOM 620 CA GLU A 42 -7.379 1.471 2.991 1.00 0.00 C ATOM 621 C GLU A 42 -7.116 2.441 4.142 1.00 0.00 C ATOM 622 O GLU A 42 -7.356 3.643 4.018 1.00 0.00 O ATOM 623 CB GLU A 42 -8.632 0.641 3.279 1.00 0.00 C ATOM 624 CG GLU A 42 -9.639 0.649 2.141 1.00 0.00 C ATOM 625 CD GLU A 42 -10.856 -0.208 2.433 1.00 0.00 C ATOM 626 OE1 GLU A 42 -11.654 0.175 3.313 1.00 0.00 O ATOM 627 OE2 GLU A 42 -11.011 -1.261 1.779 1.00 0.00 O ATOM 0 H GLU A 42 -6.448 -0.399 2.821 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.539 2.052 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.337 -0.388 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.111 1.022 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.958 1.674 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.157 0.291 1.231 1.00 0.00 H new ATOM 634 N ASP A 43 -6.613 1.915 5.254 1.00 0.00 N ATOM 635 CA ASP A 43 -6.312 2.745 6.414 1.00 0.00 C ATOM 636 C ASP A 43 -5.092 3.614 6.138 1.00 0.00 C ATOM 637 O ASP A 43 -5.020 4.756 6.585 1.00 0.00 O ATOM 638 CB ASP A 43 -6.080 1.882 7.657 1.00 0.00 C ATOM 639 CG ASP A 43 -4.951 0.889 7.476 1.00 0.00 C ATOM 640 OD1 ASP A 43 -3.805 1.327 7.249 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.214 -0.328 7.568 1.00 0.00 O ATOM 0 H ASP A 43 -6.406 0.924 5.376 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.169 3.391 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.858 2.528 8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.997 1.344 7.897 1.00 0.00 H new ATOM 646 N TRP A 44 -4.146 3.070 5.378 1.00 0.00 N ATOM 647 CA TRP A 44 -2.931 3.795 5.012 1.00 0.00 C ATOM 648 C TRP A 44 -3.282 5.038 4.198 1.00 0.00 C ATOM 649 O TRP A 44 -2.768 6.133 4.442 1.00 0.00 O ATOM 650 CB TRP A 44 -2.022 2.891 4.165 1.00 0.00 C ATOM 651 CG TRP A 44 -0.936 2.188 4.927 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.468 2.487 6.174 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.174 1.062 4.471 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.540 1.615 6.521 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.737 0.731 5.491 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.177 0.300 3.298 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.638 -0.330 5.370 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.715 -0.748 3.180 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.611 -1.055 4.211 1.00 0.00 C ATOM 0 H TRP A 44 -4.197 2.124 5.001 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.416 4.091 5.926 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.640 2.142 3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.563 3.495 3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.834 3.290 6.797 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.056 1.625 7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.866 0.527 2.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.331 -0.569 6.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.721 -1.341 2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.295 -1.882 4.088 1.00 0.00 H new ATOM 670 N MET A 45 -4.158 4.841 3.218 1.00 0.00 N ATOM 671 CA MET A 45 -4.584 5.914 2.332 1.00 0.00 C ATOM 672 C MET A 45 -5.479 6.927 3.044 1.00 0.00 C ATOM 673 O MET A 45 -5.390 8.126 2.779 1.00 0.00 O ATOM 674 CB MET A 45 -5.273 5.318 1.086 1.00 0.00 C ATOM 675 CG MET A 45 -6.773 5.585 0.970 1.00 0.00 C ATOM 676 SD MET A 45 -7.703 4.134 0.431 1.00 0.00 S ATOM 677 CE MET A 45 -6.718 3.581 -0.958 1.00 0.00 C ATOM 0 H MET A 45 -4.589 3.939 3.018 1.00 0.00 H new ATOM 0 HA MET A 45 -3.699 6.465 2.012 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.782 5.714 0.197 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.113 4.240 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.154 5.917 1.936 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.939 6.400 0.265 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.332 2.968 -1.618 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.346 4.446 -1.507 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.876 2.992 -0.595 1.00 0.00 H new ATOM 687 N ASN A 46 -6.333 6.462 3.952 1.00 0.00 N ATOM 688 CA ASN A 46 -7.213 7.363 4.683 1.00 0.00 C ATOM 689 C ASN A 46 -6.415 8.142 5.716 1.00 0.00 C ATOM 690 O ASN A 46 -6.632 9.338 5.914 1.00 0.00 O ATOM 691 CB ASN A 46 -8.334 6.579 5.366 1.00 0.00 C ATOM 692 CG ASN A 46 -9.690 7.233 5.186 1.00 0.00 C ATOM 693 OD1 ASN A 46 -9.927 7.934 4.203 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.589 7.008 6.138 1.00 0.00 N ATOM 0 H ASN A 46 -6.433 5.477 4.196 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.661 8.063 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.365 5.567 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.115 6.490 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.518 7.423 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.350 6.420 6.936 1.00 0.00 H new ATOM 701 N PHE A 47 -5.478 7.455 6.363 1.00 0.00 N ATOM 702 CA PHE A 47 -4.639 8.088 7.366 1.00 0.00 C ATOM 703 C PHE A 47 -3.859 9.234 6.735 1.00 0.00 C ATOM 704 O PHE A 47 -3.790 10.324 7.294 1.00 0.00 O ATOM 705 CB PHE A 47 -3.687 7.064 8.006 1.00 0.00 C ATOM 706 CG PHE A 47 -2.228 7.418 7.903 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.703 8.467 8.640 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.386 6.701 7.069 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.366 8.796 8.545 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.048 7.025 6.971 1.00 0.00 C ATOM 711 CZ PHE A 47 0.464 8.075 7.710 1.00 0.00 C ATOM 0 H PHE A 47 -5.284 6.465 6.209 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.274 8.489 8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.947 6.953 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.847 6.094 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.347 9.034 9.296 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.781 5.880 6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.031 9.617 9.124 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.599 6.458 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.511 8.331 7.634 1.00 0.00 H new ATOM 721 N TYR A 48 -3.278 8.981 5.564 1.00 0.00 N ATOM 722 CA TYR A 48 -2.512 10.007 4.870 1.00 0.00 C ATOM 723 C TYR A 48 -3.415 11.161 4.452 1.00 0.00 C ATOM 724 O TYR A 48 -3.075 12.326 4.643 1.00 0.00 O ATOM 725 CB TYR A 48 -1.817 9.417 3.641 1.00 0.00 C ATOM 726 CG TYR A 48 -0.494 8.752 3.946 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.455 9.382 4.741 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.195 7.495 3.437 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.666 8.777 5.020 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.014 6.883 3.712 1.00 0.00 C ATOM 731 CZ TYR A 48 1.940 7.528 4.503 1.00 0.00 C ATOM 732 OH TYR A 48 3.145 6.923 4.778 1.00 0.00 O ATOM 0 H TYR A 48 -3.323 8.083 5.082 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.754 10.386 5.555 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.480 8.688 3.176 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.654 10.211 2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.243 10.360 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.918 6.987 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.394 9.280 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.231 5.905 3.309 1.00 0.00 H new ATOM 0 HH TYR A 48 3.179 6.047 4.339 1.00 0.00 H new ATOM 742 N ILE A 49 -4.563 10.826 3.876 1.00 0.00 N ATOM 743 CA ILE A 49 -5.516 11.831 3.423 1.00 0.00 C ATOM 744 C ILE A 49 -5.899 12.782 4.561 1.00 0.00 C ATOM 745 O ILE A 49 -5.761 14.002 4.440 1.00 0.00 O ATOM 746 CB ILE A 49 -6.783 11.155 2.839 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.564 10.809 1.364 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.017 12.034 3.001 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.485 12.020 0.459 1.00 0.00 C ATOM 0 H ILE A 49 -4.857 9.863 3.711 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.037 12.416 2.638 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.959 10.237 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.643 10.234 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.377 10.167 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.884 11.525 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.189 12.228 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.862 12.979 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.329 11.696 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.415 12.584 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.654 12.653 0.770 1.00 0.00 H new ATOM 761 N ASN A 50 -6.375 12.218 5.667 1.00 0.00 N ATOM 762 CA ASN A 50 -6.774 13.017 6.821 1.00 0.00 C ATOM 763 C ASN A 50 -5.560 13.659 7.485 1.00 0.00 C ATOM 764 O ASN A 50 -5.621 14.796 7.951 1.00 0.00 O ATOM 765 CB ASN A 50 -7.526 12.151 7.833 1.00 0.00 C ATOM 766 CG ASN A 50 -8.926 11.803 7.369 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.827 12.641 7.393 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.116 10.560 6.942 1.00 0.00 N ATOM 0 H ASN A 50 -6.494 11.212 5.789 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.435 13.810 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.966 11.233 8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.582 12.677 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.038 10.268 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.340 9.898 6.939 1.00 0.00 H new ATOM 775 N TYR A 51 -4.460 12.918 7.526 1.00 0.00 N ATOM 776 CA TYR A 51 -3.225 13.397 8.132 1.00 0.00 C ATOM 777 C TYR A 51 -2.703 14.629 7.402 1.00 0.00 C ATOM 778 O TYR A 51 -2.262 15.594 8.025 1.00 0.00 O ATOM 779 CB TYR A 51 -2.185 12.270 8.102 1.00 0.00 C ATOM 780 CG TYR A 51 -0.768 12.687 8.430 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.503 13.791 9.231 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.308 11.963 7.934 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.796 14.160 9.525 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.607 12.324 8.223 1.00 0.00 C ATOM 785 CZ TYR A 51 1.847 13.423 9.019 1.00 0.00 C ATOM 786 OH TYR A 51 3.142 13.788 9.311 1.00 0.00 O ATOM 0 H TYR A 51 -4.399 11.975 7.143 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.420 13.685 9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.491 11.497 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.192 11.818 7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.324 14.369 9.629 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.124 11.101 7.310 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.988 15.021 10.148 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.431 11.749 7.828 1.00 0.00 H new ATOM 0 HH TYR A 51 3.763 13.165 8.879 1.00 0.00 H new ATOM 796 N TYR A 52 -2.750 14.583 6.080 1.00 0.00 N ATOM 797 CA TYR A 52 -2.277 15.686 5.260 1.00 0.00 C ATOM 798 C TYR A 52 -3.255 16.848 5.253 1.00 0.00 C ATOM 799 O TYR A 52 -2.846 17.995 5.140 1.00 0.00 O ATOM 800 CB TYR A 52 -2.010 15.211 3.837 1.00 0.00 C ATOM 801 CG TYR A 52 -0.860 14.244 3.766 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.325 14.511 4.434 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.963 13.060 3.052 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.379 13.628 4.393 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.084 12.166 3.008 1.00 0.00 C ATOM 806 CZ TYR A 52 1.256 12.454 3.681 1.00 0.00 C ATOM 807 OH TYR A 52 2.300 11.562 3.649 1.00 0.00 O ATOM 0 H TYR A 52 -3.113 13.790 5.551 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.346 16.044 5.699 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.907 14.735 3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.798 16.072 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.422 15.428 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.877 12.835 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.297 13.853 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.011 11.246 2.451 1.00 0.00 H new ATOM 0 HH TYR A 52 2.012 10.707 4.032 1.00 0.00 H new ATOM 817 N ARG A 53 -4.544 16.560 5.383 1.00 0.00 N ATOM 818 CA ARG A 53 -5.546 17.621 5.396 1.00 0.00 C ATOM 819 C ARG A 53 -5.313 18.558 6.576 1.00 0.00 C ATOM 820 O ARG A 53 -5.621 19.748 6.511 1.00 0.00 O ATOM 821 CB ARG A 53 -6.959 17.032 5.461 1.00 0.00 C ATOM 822 CG ARG A 53 -8.050 18.086 5.561 1.00 0.00 C ATOM 823 CD ARG A 53 -9.438 17.467 5.514 1.00 0.00 C ATOM 824 NE ARG A 53 -9.722 16.850 4.220 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.440 15.584 3.920 1.00 0.00 C ATOM 826 NH1 ARG A 53 -8.856 14.795 4.814 1.00 0.00 N ATOM 827 NH2 ARG A 53 -9.739 15.107 2.720 1.00 0.00 N ATOM 0 H ARG A 53 -4.918 15.616 5.480 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.451 18.190 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.132 16.424 4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.028 16.366 6.321 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.932 18.644 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.942 18.800 4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.527 16.717 6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.184 18.235 5.720 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.164 17.425 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.620 15.158 5.738 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.643 13.826 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.184 15.710 2.028 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.524 14.137 2.488 1.00 0.00 H new ATOM 841 N GLN A 54 -4.773 18.006 7.656 1.00 0.00 N ATOM 842 CA GLN A 54 -4.500 18.776 8.864 1.00 0.00 C ATOM 843 C GLN A 54 -3.009 19.100 8.995 1.00 0.00 C ATOM 844 O GLN A 54 -2.612 19.892 9.850 1.00 0.00 O ATOM 845 CB GLN A 54 -4.976 17.979 10.085 1.00 0.00 C ATOM 846 CG GLN A 54 -4.528 18.549 11.422 1.00 0.00 C ATOM 847 CD GLN A 54 -4.966 17.691 12.592 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.570 18.180 13.546 1.00 0.00 O ATOM 849 NE2 GLN A 54 -4.663 16.398 12.524 1.00 0.00 N ATOM 0 H GLN A 54 -4.514 17.021 7.720 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.039 19.722 8.804 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.065 17.932 10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.611 16.955 10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.442 18.641 11.429 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.934 19.554 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.161 16.034 11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.933 15.770 13.282 1.00 0.00 H new ATOM 858 N GLN A 55 -2.186 18.469 8.162 1.00 0.00 N ATOM 859 CA GLN A 55 -0.740 18.671 8.208 1.00 0.00 C ATOM 860 C GLN A 55 -0.263 19.710 7.189 1.00 0.00 C ATOM 861 O GLN A 55 0.907 19.717 6.809 1.00 0.00 O ATOM 862 CB GLN A 55 -0.043 17.330 7.953 1.00 0.00 C ATOM 863 CG GLN A 55 1.476 17.383 8.014 1.00 0.00 C ATOM 864 CD GLN A 55 1.990 18.146 9.219 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.737 19.114 9.084 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.588 17.709 10.405 1.00 0.00 N ATOM 0 H GLN A 55 -2.496 17.812 7.446 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.484 19.054 9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.398 16.606 8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.341 16.962 6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.870 16.367 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.855 17.850 7.105 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.968 16.902 10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.899 18.180 11.254 1.00 0.00 H new ATOM 875 N VAL A 56 -1.154 20.588 6.739 1.00 0.00 N ATOM 876 CA VAL A 56 -0.778 21.607 5.757 1.00 0.00 C ATOM 877 C VAL A 56 -0.577 22.970 6.410 1.00 0.00 C ATOM 878 O VAL A 56 -0.843 23.152 7.597 1.00 0.00 O ATOM 879 CB VAL A 56 -1.840 21.765 4.648 1.00 0.00 C ATOM 880 CG1 VAL A 56 -1.184 21.826 3.278 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.865 20.649 4.698 1.00 0.00 C ATOM 0 H VAL A 56 -2.130 20.618 7.032 1.00 0.00 H new ATOM 0 HA VAL A 56 0.158 21.261 5.319 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.362 22.705 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.951 21.937 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.504 22.677 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.625 20.907 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.597 20.792 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.365 19.690 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.370 20.662 5.664 1.00 0.00 H new ATOM 891 N THR A 57 -0.114 23.927 5.610 1.00 0.00 N ATOM 892 CA THR A 57 0.123 25.290 6.071 1.00 0.00 C ATOM 893 C THR A 57 -0.232 26.272 4.957 1.00 0.00 C ATOM 894 O THR A 57 -0.486 25.861 3.824 1.00 0.00 O ATOM 895 CB THR A 57 1.584 25.465 6.487 1.00 0.00 C ATOM 896 OG1 THR A 57 2.453 24.908 5.517 1.00 0.00 O ATOM 897 CG2 THR A 57 1.908 24.819 7.817 1.00 0.00 C ATOM 0 H THR A 57 0.107 23.779 4.625 1.00 0.00 H new ATOM 0 HA THR A 57 -0.506 25.489 6.939 1.00 0.00 H new ATOM 0 HB THR A 57 1.731 26.541 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.383 25.032 5.801 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.960 24.980 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.289 25.262 8.597 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.709 23.749 7.760 1.00 0.00 H new ATOM 905 N GLY A 58 -0.242 27.566 5.264 1.00 0.00 N ATOM 906 CA GLY A 58 -0.560 28.558 4.250 1.00 0.00 C ATOM 907 C GLY A 58 -2.051 28.762 4.065 1.00 0.00 C ATOM 908 O GLY A 58 -2.832 28.573 4.999 1.00 0.00 O ATOM 0 H GLY A 58 -0.037 27.944 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.100 29.508 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.121 28.252 3.301 1.00 0.00 H new ATOM 912 N GLU A 59 -2.447 29.156 2.856 1.00 0.00 N ATOM 913 CA GLU A 59 -3.853 29.395 2.550 1.00 0.00 C ATOM 914 C GLU A 59 -4.614 28.081 2.394 1.00 0.00 C ATOM 915 O GLU A 59 -4.015 27.031 2.167 1.00 0.00 O ATOM 916 CB GLU A 59 -3.988 30.240 1.283 1.00 0.00 C ATOM 917 CG GLU A 59 -3.909 31.734 1.547 1.00 0.00 C ATOM 918 CD GLU A 59 -4.986 32.213 2.503 1.00 0.00 C ATOM 919 OE1 GLU A 59 -6.106 32.507 2.035 1.00 0.00 O ATOM 920 OE2 GLU A 59 -4.709 32.291 3.718 1.00 0.00 O ATOM 0 H GLU A 59 -1.813 29.316 2.073 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.290 29.942 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.202 29.960 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.940 30.013 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.929 31.976 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.000 32.272 0.603 1.00 0.00 H new ATOM 927 N PRO A 60 -5.950 28.120 2.533 1.00 0.00 N ATOM 928 CA PRO A 60 -6.796 26.923 2.431 1.00 0.00 C ATOM 929 C PRO A 60 -6.846 26.319 1.028 1.00 0.00 C ATOM 930 O PRO A 60 -7.037 25.112 0.881 1.00 0.00 O ATOM 931 CB PRO A 60 -8.182 27.429 2.842 1.00 0.00 C ATOM 932 CG PRO A 60 -8.154 28.890 2.562 1.00 0.00 C ATOM 933 CD PRO A 60 -6.741 29.331 2.823 1.00 0.00 C ATOM 0 HA PRO A 60 -6.407 26.118 3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.968 26.933 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.378 27.232 3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.444 29.096 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.855 29.424 3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.454 30.163 2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.607 29.663 3.853 1.00 0.00 H new ATOM 941 N GLN A 61 -6.683 27.146 -0.002 1.00 0.00 N ATOM 942 CA GLN A 61 -6.727 26.646 -1.375 1.00 0.00 C ATOM 943 C GLN A 61 -5.550 25.716 -1.657 1.00 0.00 C ATOM 944 O GLN A 61 -5.697 24.693 -2.331 1.00 0.00 O ATOM 945 CB GLN A 61 -6.754 27.808 -2.379 1.00 0.00 C ATOM 946 CG GLN A 61 -5.447 28.579 -2.492 1.00 0.00 C ATOM 947 CD GLN A 61 -5.410 29.803 -1.602 1.00 0.00 C ATOM 948 OE1 GLN A 61 -6.378 30.112 -0.907 1.00 0.00 O ATOM 949 NE2 GLN A 61 -4.286 30.511 -1.618 1.00 0.00 N ATOM 0 H GLN A 61 -6.522 28.149 0.084 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.646 26.072 -1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.015 27.416 -3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.545 28.500 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.618 27.921 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.298 28.884 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.508 30.219 -2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.201 31.347 -1.039 1.00 0.00 H new ATOM 958 N GLU A 62 -4.383 26.067 -1.129 1.00 0.00 N ATOM 959 CA GLU A 62 -3.190 25.256 -1.320 1.00 0.00 C ATOM 960 C GLU A 62 -3.370 23.895 -0.665 1.00 0.00 C ATOM 961 O GLU A 62 -3.081 22.859 -1.268 1.00 0.00 O ATOM 962 CB GLU A 62 -1.965 25.954 -0.734 1.00 0.00 C ATOM 963 CG GLU A 62 -1.443 27.096 -1.591 1.00 0.00 C ATOM 964 CD GLU A 62 0.024 27.390 -1.344 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.345 27.951 -0.276 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.852 27.059 -2.219 1.00 0.00 O ATOM 0 H GLU A 62 -4.239 26.906 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.036 25.120 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.215 26.339 0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.170 25.221 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.588 26.851 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.028 27.993 -1.389 1.00 0.00 H new ATOM 973 N ARG A 63 -3.860 23.901 0.572 1.00 0.00 N ATOM 974 CA ARG A 63 -4.086 22.655 1.298 1.00 0.00 C ATOM 975 C ARG A 63 -4.990 21.746 0.482 1.00 0.00 C ATOM 976 O ARG A 63 -4.691 20.570 0.272 1.00 0.00 O ATOM 977 CB ARG A 63 -4.731 22.894 2.678 1.00 0.00 C ATOM 978 CG ARG A 63 -4.669 24.328 3.192 1.00 0.00 C ATOM 979 CD ARG A 63 -3.261 24.712 3.613 1.00 0.00 C ATOM 980 NE ARG A 63 -3.220 25.282 4.961 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.678 24.672 6.056 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.203 23.456 5.987 1.00 0.00 N ATOM 983 NH2 ARG A 63 -3.604 25.285 7.230 1.00 0.00 N ATOM 0 H ARG A 63 -4.106 24.746 1.088 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.113 22.190 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.776 22.589 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.243 22.245 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.015 25.009 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.346 24.441 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.620 23.832 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.856 25.433 2.903 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.813 26.211 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.260 22.975 5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.549 23.001 6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.198 26.219 7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.953 24.823 8.070 1.00 0.00 H new ATOM 997 N ASP A 64 -6.111 22.303 0.042 1.00 0.00 N ATOM 998 CA ASP A 64 -7.082 21.550 -0.731 1.00 0.00 C ATOM 999 C ASP A 64 -6.450 20.918 -1.967 1.00 0.00 C ATOM 1000 O ASP A 64 -6.750 19.767 -2.290 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.246 22.452 -1.143 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.506 21.667 -1.459 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.135 21.148 -0.513 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.863 21.574 -2.653 1.00 0.00 O ATOM 0 H ASP A 64 -6.368 23.276 0.209 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.455 20.746 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.454 23.160 -0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.957 23.036 -2.017 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.579 21.649 -2.670 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.947 21.094 -3.863 1.00 0.00 C ATOM 1011 C LYS A 65 -4.116 19.871 -3.505 1.00 0.00 C ATOM 1012 O LYS A 65 -4.234 18.819 -4.129 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.062 22.151 -4.532 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.634 22.697 -5.830 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.664 23.655 -6.503 1.00 0.00 C ATOM 1016 CE LYS A 65 -4.389 24.839 -7.123 1.00 0.00 C ATOM 1017 NZ LYS A 65 -3.488 26.011 -7.302 1.00 0.00 N ATOM 0 H LYS A 65 -5.303 22.603 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.729 20.793 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.910 22.977 -3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.082 21.718 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.861 21.872 -6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.574 23.211 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.939 24.013 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.104 23.126 -7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.801 24.547 -8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.230 25.121 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.021 26.797 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.115 26.306 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.699 25.750 -7.927 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.272 20.021 -2.496 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.417 18.928 -2.055 1.00 0.00 C ATOM 1033 C ALA A 66 -3.249 17.710 -1.668 1.00 0.00 C ATOM 1034 O ALA A 66 -2.841 16.571 -1.891 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.548 19.371 -0.889 1.00 0.00 C ATOM 0 H ALA A 66 -3.160 20.886 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.768 18.647 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.915 18.542 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.922 20.208 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.183 19.681 -0.059 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.415 17.958 -1.083 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.301 16.880 -0.661 1.00 0.00 C ATOM 1043 C LEU A 67 -5.891 16.144 -1.857 1.00 0.00 C ATOM 1044 O LEU A 67 -6.039 14.922 -1.828 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.418 17.430 0.223 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.115 17.424 1.723 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.738 18.016 1.993 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.188 18.191 2.483 1.00 0.00 C ATOM 0 H LEU A 67 -4.769 18.895 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.709 16.167 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.635 18.453 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.321 16.846 0.047 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.116 16.392 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.540 18.003 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.981 17.426 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.706 19.043 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.959 18.178 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.217 19.222 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.158 17.723 2.315 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.220 16.881 -2.915 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.781 16.263 -4.107 1.00 0.00 C ATOM 1062 C GLN A 68 -5.708 15.452 -4.828 1.00 0.00 C ATOM 1063 O GLN A 68 -5.951 14.321 -5.258 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.408 17.321 -5.033 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.464 17.918 -6.069 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.418 17.114 -7.355 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -5.673 16.139 -7.465 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -7.213 17.522 -8.337 1.00 0.00 N ATOM 0 H GLN A 68 -6.109 17.893 -2.969 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.579 15.583 -3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.254 16.870 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.805 18.129 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.777 18.938 -6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.461 17.978 -5.648 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.814 18.335 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.223 17.022 -9.226 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.516 16.030 -4.945 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.409 15.354 -5.599 1.00 0.00 C ATOM 1079 C GLU A 69 -2.958 14.154 -4.769 1.00 0.00 C ATOM 1080 O GLU A 69 -2.434 13.180 -5.309 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.249 16.330 -5.841 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.387 16.593 -4.620 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.257 17.561 -4.912 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.787 17.115 -5.435 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.415 18.765 -4.619 1.00 0.00 O ATOM 0 H GLU A 69 -4.296 16.963 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.744 14.988 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.618 15.936 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.655 17.278 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.008 16.994 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.972 15.651 -4.261 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.187 14.215 -3.456 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.825 13.107 -2.582 1.00 0.00 C ATOM 1094 C LEU A 70 -3.746 11.932 -2.870 1.00 0.00 C ATOM 1095 O LEU A 70 -3.298 10.803 -3.063 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.943 13.521 -1.108 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.724 13.209 -0.233 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -1.591 11.709 -0.014 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.457 13.782 -0.852 1.00 0.00 C ATOM 0 H LEU A 70 -3.616 15.010 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.790 12.821 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.134 14.593 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.813 13.024 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.869 13.682 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.720 11.508 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.486 11.333 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.472 11.210 -0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.396 13.549 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.304 13.344 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.555 14.863 -0.946 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.043 12.219 -2.893 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.053 11.200 -3.153 1.00 0.00 C ATOM 1113 C ARG A 71 -5.776 10.488 -4.472 1.00 0.00 C ATOM 1114 O ARG A 71 -5.767 9.258 -4.529 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.446 11.835 -3.181 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.444 11.159 -2.255 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.933 9.837 -2.827 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.900 8.766 -1.833 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.404 7.553 -2.037 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.970 7.248 -3.199 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -9.343 6.639 -1.079 1.00 0.00 N ATOM 0 H ARG A 71 -5.421 13.153 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.013 10.464 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.362 12.886 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.830 11.803 -4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.981 10.986 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.294 11.821 -2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.951 9.957 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.314 9.560 -3.680 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.465 8.960 -0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.020 7.946 -3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.355 6.316 -3.350 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.909 6.866 -0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.730 5.709 -1.236 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.533 11.260 -5.528 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.238 10.678 -6.831 1.00 0.00 C ATOM 1137 C GLN A 72 -3.869 10.006 -6.801 1.00 0.00 C ATOM 1138 O GLN A 72 -3.646 8.985 -7.452 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.292 11.755 -7.925 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.008 12.558 -8.077 1.00 0.00 C ATOM 1141 CD GLN A 72 -3.071 11.972 -9.116 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -2.050 11.371 -8.778 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -3.412 12.144 -10.388 1.00 0.00 N ATOM 0 H GLN A 72 -5.535 12.280 -5.507 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.991 9.925 -7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.523 11.278 -8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.111 12.440 -7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.256 13.583 -8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.496 12.602 -7.116 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.267 12.648 -10.623 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.819 11.772 -11.130 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.959 10.591 -6.027 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.611 10.059 -5.893 1.00 0.00 C ATOM 1154 C GLU A 73 -1.647 8.630 -5.362 1.00 0.00 C ATOM 1155 O GLU A 73 -1.006 7.739 -5.919 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.781 10.947 -4.962 1.00 0.00 C ATOM 1157 CG GLU A 73 0.031 12.005 -5.692 1.00 0.00 C ATOM 1158 CD GLU A 73 1.221 11.421 -6.427 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.134 10.254 -6.864 1.00 0.00 O ATOM 1160 OE2 GLU A 73 2.239 12.131 -6.568 1.00 0.00 O ATOM 0 H GLU A 73 -3.134 11.436 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.146 10.049 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.447 11.438 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.105 10.319 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.611 12.525 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.380 12.748 -4.975 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.414 8.407 -4.296 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.544 7.077 -3.715 1.00 0.00 C ATOM 1169 C LEU A 74 -3.278 6.150 -4.674 1.00 0.00 C ATOM 1170 O LEU A 74 -2.905 4.992 -4.844 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.282 7.144 -2.375 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.772 8.205 -1.393 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.112 7.817 0.037 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.270 8.411 -1.542 1.00 0.00 C ATOM 0 H LEU A 74 -2.953 9.130 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.544 6.680 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.338 7.333 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.216 6.168 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.270 9.146 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.742 8.582 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.193 7.729 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.645 6.862 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.935 9.169 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.752 7.473 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.047 8.739 -2.557 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.340 6.666 -5.280 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.147 5.883 -6.210 1.00 0.00 C ATOM 1188 C ASN A 75 -4.273 5.245 -7.286 1.00 0.00 C ATOM 1189 O ASN A 75 -4.473 4.088 -7.655 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.218 6.767 -6.859 1.00 0.00 C ATOM 1191 CG ASN A 75 -7.624 6.340 -6.487 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -8.098 5.285 -6.912 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.299 7.159 -5.690 1.00 0.00 N ATOM 0 H ASN A 75 -4.663 7.624 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.636 5.087 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.063 7.802 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.106 6.733 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.250 6.925 -5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.867 8.023 -5.362 1.00 0.00 H new ATOM 1200 N THR A 76 -3.300 6.001 -7.777 1.00 0.00 N ATOM 1201 CA THR A 76 -2.392 5.497 -8.802 1.00 0.00 C ATOM 1202 C THR A 76 -1.285 4.641 -8.186 1.00 0.00 C ATOM 1203 O THR A 76 -1.024 3.527 -8.637 1.00 0.00 O ATOM 1204 CB THR A 76 -1.779 6.659 -9.583 1.00 0.00 C ATOM 1205 OG1 THR A 76 -2.789 7.514 -10.090 1.00 0.00 O ATOM 1206 CG2 THR A 76 -0.928 6.210 -10.751 1.00 0.00 C ATOM 0 H THR A 76 -3.119 6.961 -7.485 1.00 0.00 H new ATOM 0 HA THR A 76 -2.968 4.871 -9.483 1.00 0.00 H new ATOM 0 HB THR A 76 -1.143 7.182 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.161 8.050 -9.359 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.523 7.083 -11.263 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.109 5.590 -10.387 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.539 5.633 -11.446 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.627 5.183 -7.165 1.00 0.00 N ATOM 1215 CA LEU A 77 0.471 4.489 -6.489 1.00 0.00 C ATOM 1216 C LEU A 77 0.047 3.127 -5.939 1.00 0.00 C ATOM 1217 O LEU A 77 0.844 2.190 -5.903 1.00 0.00 O ATOM 1218 CB LEU A 77 1.019 5.353 -5.351 1.00 0.00 C ATOM 1219 CG LEU A 77 2.366 6.018 -5.635 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.505 7.305 -4.838 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.504 5.062 -5.314 1.00 0.00 C ATOM 0 H LEU A 77 -0.835 6.106 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 77 1.248 4.318 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.289 6.129 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.118 4.733 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 77 2.413 6.268 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.470 7.764 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.706 7.993 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.439 7.082 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.457 5.549 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.460 4.784 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.412 4.167 -5.930 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.196 3.028 -5.486 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.709 1.788 -4.911 1.00 0.00 C ATOM 1235 C ALA A 78 -2.016 0.735 -5.974 1.00 0.00 C ATOM 1236 O ALA A 78 -1.931 -0.464 -5.710 1.00 0.00 O ATOM 1237 CB ALA A 78 -2.953 2.075 -4.085 1.00 0.00 C ATOM 0 H ALA A 78 -1.870 3.793 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.927 1.380 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.330 1.145 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.704 2.767 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.718 2.519 -4.722 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.386 1.182 -7.168 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.721 0.269 -8.259 1.00 0.00 C ATOM 1245 C ASN A 79 -1.617 -0.773 -8.487 1.00 0.00 C ATOM 1246 O ASN A 79 -1.898 -1.970 -8.572 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.009 1.070 -9.544 1.00 0.00 C ATOM 1248 CG ASN A 79 -2.145 0.672 -10.730 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -2.089 -0.499 -11.112 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -1.474 1.650 -11.327 1.00 0.00 N ATOM 0 H ASN A 79 -2.462 2.171 -7.407 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.620 -0.281 -7.981 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.058 0.941 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.860 2.130 -9.339 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.884 1.445 -12.134 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.548 2.606 -10.979 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.349 -0.341 -8.600 1.00 0.00 N ATOM 1258 CA PRO A 80 0.776 -1.255 -8.832 1.00 0.00 C ATOM 1259 C PRO A 80 1.089 -2.143 -7.629 1.00 0.00 C ATOM 1260 O PRO A 80 1.442 -3.315 -7.792 1.00 0.00 O ATOM 1261 CB PRO A 80 1.949 -0.315 -9.121 1.00 0.00 C ATOM 1262 CG PRO A 80 1.587 0.963 -8.450 1.00 0.00 C ATOM 1263 CD PRO A 80 0.089 1.064 -8.530 1.00 0.00 C ATOM 0 HA PRO A 80 0.558 -1.954 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.883 -0.717 -8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.088 -0.173 -10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.923 0.968 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.062 1.811 -8.944 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.326 1.570 -7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.229 1.627 -9.407 1.00 0.00 H new ATOM 1271 N PHE A 81 0.952 -1.600 -6.419 1.00 0.00 N ATOM 1272 CA PHE A 81 1.222 -2.369 -5.211 1.00 0.00 C ATOM 1273 C PHE A 81 0.225 -3.512 -5.075 1.00 0.00 C ATOM 1274 O PHE A 81 0.608 -4.674 -4.929 1.00 0.00 O ATOM 1275 CB PHE A 81 1.137 -1.451 -3.989 1.00 0.00 C ATOM 1276 CG PHE A 81 1.309 -2.158 -2.673 1.00 0.00 C ATOM 1277 CD1 PHE A 81 2.284 -3.130 -2.512 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.499 -1.840 -1.593 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.447 -3.772 -1.300 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.659 -2.476 -0.378 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.634 -3.444 -0.231 1.00 0.00 C ATOM 0 H PHE A 81 0.658 -0.638 -6.253 1.00 0.00 H new ATOM 0 HA PHE A 81 2.225 -2.791 -5.277 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.900 -0.678 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.171 -0.947 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.923 -3.388 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.266 -1.086 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.209 -4.529 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.023 -2.217 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.761 -3.944 0.718 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.059 -3.172 -5.129 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.115 -4.166 -5.016 1.00 0.00 C ATOM 1293 C LEU A 82 -1.976 -5.221 -6.105 1.00 0.00 C ATOM 1294 O LEU A 82 -2.351 -6.377 -5.911 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.490 -3.499 -5.103 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.886 -2.672 -3.879 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.910 -1.613 -4.258 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.431 -3.574 -2.781 1.00 0.00 C ATOM 0 H LEU A 82 -1.391 -2.215 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.022 -4.653 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.509 -2.853 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.243 -4.272 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.996 -2.168 -3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.180 -1.035 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.485 -0.949 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.800 -2.096 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.708 -2.969 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.309 -4.105 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.667 -4.295 -2.489 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.421 -4.825 -7.248 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.222 -5.750 -8.351 1.00 0.00 C ATOM 1312 C ALA A 83 -0.198 -6.809 -7.969 1.00 0.00 C ATOM 1313 O ALA A 83 -0.431 -8.005 -8.143 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.777 -5.003 -9.599 1.00 0.00 C ATOM 0 H ALA A 83 -1.104 -3.873 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.169 -6.244 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.633 -5.711 -10.415 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.540 -4.277 -9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.161 -4.485 -9.398 1.00 0.00 H new ATOM 1320 N LYS A 84 0.936 -6.362 -7.433 1.00 0.00 N ATOM 1321 CA LYS A 84 1.990 -7.279 -7.012 1.00 0.00 C ATOM 1322 C LYS A 84 1.454 -8.280 -5.992 1.00 0.00 C ATOM 1323 O LYS A 84 1.651 -9.490 -6.125 1.00 0.00 O ATOM 1324 CB LYS A 84 3.166 -6.506 -6.410 1.00 0.00 C ATOM 1325 CG LYS A 84 3.963 -5.721 -7.436 1.00 0.00 C ATOM 1326 CD LYS A 84 4.736 -6.641 -8.368 1.00 0.00 C ATOM 1327 CE LYS A 84 4.473 -6.308 -9.828 1.00 0.00 C ATOM 1328 NZ LYS A 84 5.405 -5.264 -10.337 1.00 0.00 N ATOM 0 H LYS A 84 1.147 -5.376 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 84 2.337 -7.822 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.789 -5.820 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.830 -7.207 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.289 -5.094 -8.020 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.657 -5.053 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.803 -6.556 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.455 -7.676 -8.174 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.576 -7.211 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.445 -5.964 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.192 -5.066 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.290 -4.394 -9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.385 -5.602 -10.252 1.00 0.00 H new ATOM 1342 N TYR A 85 0.766 -7.767 -4.977 1.00 0.00 N ATOM 1343 CA TYR A 85 0.205 -8.628 -3.946 1.00 0.00 C ATOM 1344 C TYR A 85 -0.914 -9.490 -4.515 1.00 0.00 C ATOM 1345 O TYR A 85 -1.095 -10.634 -4.103 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.296 -7.817 -2.751 1.00 0.00 C ATOM 1347 CG TYR A 85 0.114 -8.426 -1.432 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.456 -8.542 -1.091 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.834 -8.905 -0.536 1.00 0.00 C ATOM 1350 CE1 TYR A 85 1.843 -9.114 0.105 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.455 -9.481 0.662 1.00 0.00 C ATOM 1352 CZ TYR A 85 0.885 -9.583 0.976 1.00 0.00 C ATOM 1353 OH TYR A 85 1.267 -10.159 2.165 1.00 0.00 O ATOM 0 H TYR A 85 0.586 -6.771 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 85 1.002 -9.282 -3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.093 -6.801 -2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.383 -7.746 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.210 -8.178 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.883 -8.826 -0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.891 -9.193 0.356 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.203 -9.849 1.348 1.00 0.00 H new ATOM 0 HH TYR A 85 0.632 -10.866 2.405 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.652 -8.947 -5.476 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.734 -9.691 -6.107 1.00 0.00 C ATOM 1365 C ARG A 86 -2.168 -10.913 -6.820 1.00 0.00 C ATOM 1366 O ARG A 86 -2.755 -11.994 -6.794 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.494 -8.805 -7.094 1.00 0.00 C ATOM 1368 CG ARG A 86 -4.774 -8.220 -6.519 1.00 0.00 C ATOM 1369 CD ARG A 86 -5.003 -6.797 -7.000 1.00 0.00 C ATOM 1370 NE ARG A 86 -6.282 -6.652 -7.691 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.661 -5.544 -8.321 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -5.866 -4.482 -8.347 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.841 -5.496 -8.925 1.00 0.00 N ATOM 0 H ARG A 86 -1.522 -8.000 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.433 -10.017 -5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.844 -7.991 -7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.737 -9.389 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.621 -8.843 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.724 -8.233 -5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.972 -6.117 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.194 -6.506 -7.670 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.921 -7.447 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.959 -4.513 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.162 -3.635 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.457 -6.309 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.132 -4.646 -9.408 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.999 -10.732 -7.429 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.319 -11.816 -8.123 1.00 0.00 C ATOM 1389 C ASP A 87 0.262 -12.795 -7.106 1.00 0.00 C ATOM 1390 O ASP A 87 0.356 -13.995 -7.361 1.00 0.00 O ATOM 1391 CB ASP A 87 0.789 -11.265 -9.024 1.00 0.00 C ATOM 1392 CG ASP A 87 0.245 -10.648 -10.298 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.466 -9.625 -10.206 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.528 -11.189 -11.388 1.00 0.00 O ATOM 0 H ASP A 87 -0.504 -9.841 -7.454 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.040 -12.340 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.360 -10.516 -8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.480 -12.069 -9.279 1.00 0.00 H new ATOM 1399 N PHE A 88 0.638 -12.260 -5.947 1.00 0.00 N ATOM 1400 CA PHE A 88 1.199 -13.060 -4.862 1.00 0.00 C ATOM 1401 C PHE A 88 0.106 -13.896 -4.194 1.00 0.00 C ATOM 1402 O PHE A 88 0.318 -15.044 -3.821 1.00 0.00 O ATOM 1403 CB PHE A 88 1.841 -12.119 -3.835 1.00 0.00 C ATOM 1404 CG PHE A 88 2.721 -12.789 -2.817 1.00 0.00 C ATOM 1405 CD1 PHE A 88 3.642 -13.755 -3.191 1.00 0.00 C ATOM 1406 CD2 PHE A 88 2.638 -12.432 -1.481 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.458 -14.352 -2.250 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.452 -13.025 -0.537 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.364 -13.987 -0.921 1.00 0.00 C ATOM 0 H PHE A 88 0.563 -11.265 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 88 1.951 -13.740 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.431 -11.374 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.049 -11.584 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.722 -14.044 -4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.927 -11.680 -1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.170 -15.105 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.375 -12.736 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.002 -14.453 -0.185 1.00 0.00 H new ATOM 1419 N LEU A 89 -1.075 -13.310 -4.078 1.00 0.00 N ATOM 1420 CA LEU A 89 -2.214 -14.001 -3.487 1.00 0.00 C ATOM 1421 C LEU A 89 -2.858 -14.961 -4.490 1.00 0.00 C ATOM 1422 O LEU A 89 -3.233 -16.083 -4.152 1.00 0.00 O ATOM 1423 CB LEU A 89 -3.251 -12.987 -2.994 1.00 0.00 C ATOM 1424 CG LEU A 89 -3.103 -12.570 -1.528 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.450 -13.728 -0.606 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.692 -12.072 -1.253 1.00 0.00 C ATOM 0 H LEU A 89 -1.272 -12.357 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.852 -14.584 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.190 -12.095 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.246 -13.409 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.799 -11.754 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.339 -13.413 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.480 -14.038 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.780 -14.565 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.607 -11.780 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.977 -12.867 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.480 -11.212 -1.888 1.00 0.00 H new ATOM 1438 N LYS A 90 -3.029 -14.468 -5.710 1.00 0.00 N ATOM 1439 CA LYS A 90 -3.686 -15.221 -6.779 1.00 0.00 C ATOM 1440 C LYS A 90 -2.858 -16.378 -7.347 1.00 0.00 C ATOM 1441 O LYS A 90 -3.421 -17.407 -7.720 1.00 0.00 O ATOM 1442 CB LYS A 90 -4.075 -14.274 -7.913 1.00 0.00 C ATOM 1443 CG LYS A 90 -5.211 -13.330 -7.554 1.00 0.00 C ATOM 1444 CD LYS A 90 -6.567 -13.952 -7.848 1.00 0.00 C ATOM 1445 CE LYS A 90 -7.505 -12.957 -8.511 1.00 0.00 C ATOM 1446 NZ LYS A 90 -7.615 -13.189 -9.979 1.00 0.00 N ATOM 0 H LYS A 90 -2.718 -13.538 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.565 -15.675 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.203 -13.687 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.364 -14.863 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.150 -13.071 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.106 -12.402 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.438 -14.819 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.013 -14.311 -6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.493 -13.032 -8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.146 -11.944 -8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.264 -12.490 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.677 -13.093 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.981 -14.147 -10.153 1.00 0.00 H new ATOM 1460 N SER A 91 -1.543 -16.216 -7.448 1.00 0.00 N ATOM 1461 CA SER A 91 -0.713 -17.284 -8.017 1.00 0.00 C ATOM 1462 C SER A 91 0.187 -17.969 -6.991 1.00 0.00 C ATOM 1463 O SER A 91 0.551 -19.132 -7.162 1.00 0.00 O ATOM 1464 CB SER A 91 0.145 -16.725 -9.154 1.00 0.00 C ATOM 1465 OG SER A 91 -0.515 -16.851 -10.402 1.00 0.00 O ATOM 0 H SER A 91 -1.035 -15.382 -7.154 1.00 0.00 H new ATOM 0 HA SER A 91 -1.401 -18.043 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.369 -15.676 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.098 -17.253 -9.188 1.00 0.00 H new ATOM 0 HG SER A 91 0.054 -16.485 -11.111 1.00 0.00 H new ATOM 1471 N HIS A 92 0.580 -17.248 -5.951 1.00 0.00 N ATOM 1472 CA HIS A 92 1.479 -17.815 -4.950 1.00 0.00 C ATOM 1473 C HIS A 92 0.738 -18.615 -3.878 1.00 0.00 C ATOM 1474 O HIS A 92 -0.453 -18.426 -3.636 1.00 0.00 O ATOM 1475 CB HIS A 92 2.352 -16.717 -4.321 1.00 0.00 C ATOM 1476 CG HIS A 92 2.391 -16.724 -2.820 1.00 0.00 C ATOM 1477 ND1 HIS A 92 3.553 -16.909 -2.103 1.00 0.00 N ATOM 1478 CD2 HIS A 92 1.409 -16.552 -1.901 1.00 0.00 C ATOM 1479 CE1 HIS A 92 3.286 -16.847 -0.811 1.00 0.00 C ATOM 1480 NE2 HIS A 92 1.993 -16.631 -0.663 1.00 0.00 N ATOM 0 H HIS A 92 0.297 -16.284 -5.777 1.00 0.00 H new ATOM 0 HA HIS A 92 2.128 -18.521 -5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.370 -16.822 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.987 -15.746 -4.656 1.00 0.00 H new ATOM 0 HD1 HIS A 92 4.476 -17.069 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.362 -16.384 -2.106 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.004 -16.955 -0.012 1.00 0.00 H new ATOM 1489 N GLU A 93 1.491 -19.506 -3.241 1.00 0.00 N ATOM 1490 CA GLU A 93 0.967 -20.359 -2.179 1.00 0.00 C ATOM 1491 C GLU A 93 1.602 -20.001 -0.841 1.00 0.00 C ATOM 1492 O GLU A 93 2.724 -19.498 -0.793 1.00 0.00 O ATOM 1493 CB GLU A 93 1.218 -21.833 -2.499 1.00 0.00 C ATOM 1494 CG GLU A 93 0.020 -22.725 -2.216 1.00 0.00 C ATOM 1495 CD GLU A 93 -0.682 -23.177 -3.482 1.00 0.00 C ATOM 1496 OE1 GLU A 93 -1.175 -22.306 -4.229 1.00 0.00 O ATOM 1497 OE2 GLU A 93 -0.738 -24.401 -3.724 1.00 0.00 O ATOM 0 H GLU A 93 2.479 -19.657 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.108 -20.194 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.492 -21.927 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.069 -22.184 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.348 -23.600 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.688 -22.188 -1.585 1.00 0.00 H new ATOM 1504 N LEU A 94 0.881 -20.259 0.245 1.00 0.00 N ATOM 1505 CA LEU A 94 1.382 -19.957 1.580 1.00 0.00 C ATOM 1506 C LEU A 94 1.027 -21.070 2.561 1.00 0.00 C ATOM 1507 O LEU A 94 1.954 -21.617 3.194 1.00 0.00 O ATOM 1508 CB LEU A 94 0.808 -18.627 2.070 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.660 -18.382 1.704 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -1.496 -18.154 2.954 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.785 -17.198 0.755 1.00 0.00 C ATOM 1512 OXT LEU A 94 -0.175 -21.385 2.689 1.00 0.00 O ATOM 0 H LEU A 94 -0.050 -20.676 0.227 1.00 0.00 H new ATOM 0 HA LEU A 94 2.468 -19.880 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.909 -18.582 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.409 -17.816 1.660 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.037 -19.271 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.534 -17.982 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.436 -19.032 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.118 -17.284 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.835 -17.040 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.387 -16.304 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.223 -17.402 -0.157 1.00 0.00 H new TER 1524 LEU A 94