USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 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 Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.37 K(o=-2.4,f=-0.68) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -61:sc= 1.19 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 24 GLN : amide:sc= -0.965 K(o=-0.96,f=-1.9!) USER MOD Single : A 25 GLN : amide:sc= -2.65 K(o=-2.7,f=-4.8!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00771 USER MOD Single : A 37 MET CE :methyl 143:sc= -0.0679 (180deg=-0.679) USER MOD Single : A 39 THR OG1 : rot -87:sc= -0.167 USER MOD Single : A 45 MET CE :methyl -164:sc= 0 (180deg=-0.193) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -5.25! C(o=-5.3!,f=-12!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 123:sc= -1.65! USER MOD Single : A 54 GLN : amide:sc= 0.00553 X(o=0.0055,f=0) USER MOD Single : A 55 GLN : amide:sc= -3.29! K(o=-3.3!,f=-1.9) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.92!) USER MOD Single : A 76 THR OG1 : rot -80:sc= 1.03 USER MOD Single : A 79 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -95:sc= -1.44! USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0759) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -7.38! C(o=-7.4!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 -9.400 23.541 -3.819 1.00 0.00 N ATOM 2 CA LEU A 3 -10.016 23.238 -2.501 1.00 0.00 C ATOM 3 C LEU A 3 -10.088 21.735 -2.259 1.00 0.00 C ATOM 4 O LEU A 3 -9.586 21.229 -1.256 1.00 0.00 O ATOM 5 CB LEU A 3 -11.419 23.848 -2.464 1.00 0.00 C ATOM 6 CG LEU A 3 -11.506 25.247 -1.852 1.00 0.00 C ATOM 7 CD1 LEU A 3 -10.873 25.266 -0.469 1.00 0.00 C ATOM 8 CD2 LEU A 3 -10.838 26.268 -2.760 1.00 0.00 C ATOM 0 HA LEU A 3 -9.400 23.668 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.806 23.890 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.073 23.182 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.558 25.513 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.945 26.270 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.396 24.564 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.824 24.978 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.909 27.258 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.789 26.005 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.337 26.274 -3.729 1.00 0.00 H new ATOM 22 N LEU A 4 -10.720 21.033 -3.187 1.00 0.00 N ATOM 23 CA LEU A 4 -10.868 19.585 -3.088 1.00 0.00 C ATOM 24 C LEU A 4 -9.986 18.875 -4.109 1.00 0.00 C ATOM 25 O LEU A 4 -9.515 17.763 -3.870 1.00 0.00 O ATOM 26 CB LEU A 4 -12.330 19.186 -3.298 1.00 0.00 C ATOM 27 CG LEU A 4 -13.192 19.191 -2.035 1.00 0.00 C ATOM 28 CD1 LEU A 4 -14.668 19.256 -2.397 1.00 0.00 C ATOM 29 CD2 LEU A 4 -12.902 17.961 -1.188 1.00 0.00 C ATOM 0 H LEU A 4 -11.141 21.442 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.553 19.281 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.775 19.865 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.359 18.188 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.943 20.077 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.266 19.259 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.864 20.167 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.933 18.389 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.524 17.981 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.123 17.062 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.851 17.958 -0.899 1.00 0.00 H new ATOM 41 N LYS A 5 -9.767 19.523 -5.249 1.00 0.00 N ATOM 42 CA LYS A 5 -8.944 18.949 -6.306 1.00 0.00 C ATOM 43 C LYS A 5 -7.486 18.863 -5.875 1.00 0.00 C ATOM 44 O LYS A 5 -6.805 17.877 -6.153 1.00 0.00 O ATOM 45 CB LYS A 5 -9.065 19.775 -7.587 1.00 0.00 C ATOM 46 CG LYS A 5 -8.249 19.227 -8.746 1.00 0.00 C ATOM 47 CD LYS A 5 -9.052 18.238 -9.576 1.00 0.00 C ATOM 48 CE LYS A 5 -8.146 17.264 -10.311 1.00 0.00 C ATOM 49 NZ LYS A 5 -8.752 16.799 -11.590 1.00 0.00 N ATOM 0 H LYS A 5 -10.148 20.445 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.305 17.939 -6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.113 19.821 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.747 20.797 -7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.917 20.050 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.353 18.738 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.732 17.686 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.666 18.779 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.188 17.743 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.942 16.405 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.103 16.136 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.654 16.320 -11.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.923 17.616 -12.210 1.00 0.00 H new ATOM 63 N ALA A 6 -7.013 19.896 -5.190 1.00 0.00 N ATOM 64 CA ALA A 6 -5.635 19.923 -4.715 1.00 0.00 C ATOM 65 C ALA A 6 -5.363 18.731 -3.809 1.00 0.00 C ATOM 66 O ALA A 6 -4.353 18.036 -3.954 1.00 0.00 O ATOM 67 CB ALA A 6 -5.350 21.227 -3.985 1.00 0.00 C ATOM 0 H ALA A 6 -7.560 20.723 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.970 19.859 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.317 21.231 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.507 22.066 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.021 21.320 -3.131 1.00 0.00 H new ATOM 73 N ASN A 7 -6.285 18.482 -2.885 1.00 0.00 N ATOM 74 CA ASN A 7 -6.156 17.360 -1.972 1.00 0.00 C ATOM 75 C ASN A 7 -6.136 16.055 -2.757 1.00 0.00 C ATOM 76 O ASN A 7 -5.188 15.273 -2.659 1.00 0.00 O ATOM 77 CB ASN A 7 -7.302 17.358 -0.956 1.00 0.00 C ATOM 78 CG ASN A 7 -6.808 17.494 0.473 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.389 16.517 1.092 1.00 0.00 O ATOM 80 ND2 ASN A 7 -6.856 18.712 1.005 1.00 0.00 N ATOM 0 H ASN A 7 -7.127 19.043 -2.751 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.218 17.457 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.985 18.177 -1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.870 16.433 -1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.538 18.863 1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.211 19.495 0.456 1.00 0.00 H new ATOM 87 N LYS A 8 -7.183 15.823 -3.550 1.00 0.00 N ATOM 88 CA LYS A 8 -7.269 14.611 -4.353 1.00 0.00 C ATOM 89 C LYS A 8 -6.042 14.474 -5.243 1.00 0.00 C ATOM 90 O LYS A 8 -5.611 13.364 -5.554 1.00 0.00 O ATOM 91 CB LYS A 8 -8.536 14.632 -5.212 1.00 0.00 C ATOM 92 CG LYS A 8 -9.742 14.002 -4.533 1.00 0.00 C ATOM 93 CD LYS A 8 -10.943 13.955 -5.466 1.00 0.00 C ATOM 94 CE LYS A 8 -11.578 15.327 -5.628 1.00 0.00 C ATOM 95 NZ LYS A 8 -12.880 15.424 -4.911 1.00 0.00 N ATOM 0 H LYS A 8 -7.976 16.456 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.312 13.755 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.773 15.664 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.340 14.107 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.492 12.992 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.996 14.571 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.633 13.579 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.682 13.255 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.897 16.089 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.730 15.534 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.281 16.374 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.539 14.714 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.731 15.252 -3.896 1.00 0.00 H new ATOM 109 N ASP A 9 -5.466 15.608 -5.635 1.00 0.00 N ATOM 110 CA ASP A 9 -4.275 15.592 -6.469 1.00 0.00 C ATOM 111 C ASP A 9 -3.135 14.940 -5.704 1.00 0.00 C ATOM 112 O ASP A 9 -2.426 14.082 -6.234 1.00 0.00 O ATOM 113 CB ASP A 9 -3.891 17.013 -6.892 1.00 0.00 C ATOM 114 CG ASP A 9 -4.174 17.274 -8.357 1.00 0.00 C ATOM 115 OD1 ASP A 9 -3.608 16.555 -9.208 1.00 0.00 O ATOM 116 OD2 ASP A 9 -4.959 18.199 -8.655 1.00 0.00 O ATOM 0 H ASP A 9 -5.803 16.539 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.480 15.017 -7.372 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -4.441 17.732 -6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.831 17.174 -6.695 1.00 0.00 H new ATOM 121 N LEU A 10 -2.970 15.340 -4.444 1.00 0.00 N ATOM 122 CA LEU A 10 -1.922 14.775 -3.608 1.00 0.00 C ATOM 123 C LEU A 10 -2.131 13.275 -3.462 1.00 0.00 C ATOM 124 O LEU A 10 -1.177 12.496 -3.524 1.00 0.00 O ATOM 125 CB LEU A 10 -1.918 15.444 -2.231 1.00 0.00 C ATOM 126 CG LEU A 10 -0.905 14.871 -1.237 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.381 15.683 -1.258 1.00 0.00 C ATOM 128 CD2 LEU A 10 -1.495 14.840 0.166 1.00 0.00 C ATOM 0 H LEU A 10 -3.545 16.047 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.958 14.956 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.716 16.507 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.915 15.360 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.670 13.849 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.089 15.261 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.813 15.655 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.164 16.716 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.762 14.430 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.758 15.852 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.388 14.216 0.171 1.00 0.00 H new ATOM 140 N ILE A 11 -3.389 12.863 -3.294 1.00 0.00 N ATOM 141 CA ILE A 11 -3.690 11.443 -3.173 1.00 0.00 C ATOM 142 C ILE A 11 -3.254 10.723 -4.445 1.00 0.00 C ATOM 143 O ILE A 11 -2.500 9.753 -4.388 1.00 0.00 O ATOM 144 CB ILE A 11 -5.197 11.198 -2.918 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.552 11.559 -1.475 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.571 9.748 -3.207 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.674 13.046 -1.235 1.00 0.00 C ATOM 0 H ILE A 11 -4.198 13.481 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.142 11.051 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.766 11.836 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.494 11.078 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.789 11.154 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.635 9.602 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.351 9.516 -4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.995 9.088 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.927 13.226 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.726 13.531 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.457 13.455 -1.874 1.00 0.00 H new ATOM 159 N SER A 12 -3.742 11.194 -5.595 1.00 0.00 N ATOM 160 CA SER A 12 -3.401 10.579 -6.873 1.00 0.00 C ATOM 161 C SER A 12 -1.893 10.416 -7.005 1.00 0.00 C ATOM 162 O SER A 12 -1.414 9.423 -7.550 1.00 0.00 O ATOM 163 CB SER A 12 -3.938 11.422 -8.029 1.00 0.00 C ATOM 164 OG SER A 12 -3.174 12.603 -8.198 1.00 0.00 O ATOM 0 H SER A 12 -4.370 11.994 -5.664 1.00 0.00 H new ATOM 0 HA SER A 12 -3.863 9.592 -6.911 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.918 10.838 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.979 11.683 -7.840 1.00 0.00 H new ATOM 0 HG SER A 12 -3.229 13.148 -7.385 1.00 0.00 H new ATOM 170 N ALA A 13 -1.147 11.380 -6.479 1.00 0.00 N ATOM 171 CA ALA A 13 0.306 11.308 -6.523 1.00 0.00 C ATOM 172 C ALA A 13 0.775 10.102 -5.726 1.00 0.00 C ATOM 173 O ALA A 13 1.584 9.304 -6.196 1.00 0.00 O ATOM 174 CB ALA A 13 0.928 12.589 -5.989 1.00 0.00 C ATOM 0 H ALA A 13 -1.520 12.212 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 13 0.627 11.196 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.014 12.511 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.600 13.433 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.616 12.742 -4.956 1.00 0.00 H new ATOM 180 N GLY A 14 0.226 9.960 -4.526 1.00 0.00 N ATOM 181 CA GLY A 14 0.562 8.828 -3.687 1.00 0.00 C ATOM 182 C GLY A 14 0.122 7.530 -4.329 1.00 0.00 C ATOM 183 O GLY A 14 0.722 6.477 -4.115 1.00 0.00 O ATOM 0 H GLY A 14 -0.447 10.610 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.638 8.806 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.084 8.937 -2.714 1.00 0.00 H new ATOM 187 N LEU A 15 -0.928 7.626 -5.138 1.00 0.00 N ATOM 188 CA LEU A 15 -1.455 6.472 -5.847 1.00 0.00 C ATOM 189 C LEU A 15 -0.482 6.049 -6.933 1.00 0.00 C ATOM 190 O LEU A 15 0.001 4.916 -6.944 1.00 0.00 O ATOM 191 CB LEU A 15 -2.828 6.787 -6.449 1.00 0.00 C ATOM 192 CG LEU A 15 -4.022 6.307 -5.624 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.143 7.114 -4.340 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.304 6.400 -6.437 1.00 0.00 C ATOM 0 H LEU A 15 -1.430 8.495 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.577 5.651 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.910 7.865 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.886 6.336 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.859 5.263 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.998 6.758 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.235 6.996 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.283 8.167 -4.584 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.143 6.054 -5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.472 7.435 -6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.216 5.777 -7.327 1.00 0.00 H new ATOM 206 N LYS A 16 -0.197 6.966 -7.850 1.00 0.00 N ATOM 207 CA LYS A 16 0.722 6.683 -8.944 1.00 0.00 C ATOM 208 C LYS A 16 2.054 6.186 -8.401 1.00 0.00 C ATOM 209 O LYS A 16 2.651 5.259 -8.946 1.00 0.00 O ATOM 210 CB LYS A 16 0.937 7.933 -9.798 1.00 0.00 C ATOM 211 CG LYS A 16 1.803 7.688 -11.024 1.00 0.00 C ATOM 212 CD LYS A 16 2.802 8.816 -11.238 1.00 0.00 C ATOM 213 CE LYS A 16 4.149 8.289 -11.706 1.00 0.00 C ATOM 214 NZ LYS A 16 5.199 8.445 -10.661 1.00 0.00 N ATOM 0 H LYS A 16 -0.588 7.908 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 16 0.284 5.904 -9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.032 8.316 -10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.399 8.707 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.337 6.745 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.169 7.591 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.409 9.516 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.931 9.370 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.055 7.236 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.453 8.819 -12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.102 8.074 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.307 9.452 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.921 7.918 -9.809 1.00 0.00 H new ATOM 228 N GLU A 17 2.511 6.805 -7.318 1.00 0.00 N ATOM 229 CA GLU A 17 3.769 6.419 -6.696 1.00 0.00 C ATOM 230 C GLU A 17 3.706 4.981 -6.199 1.00 0.00 C ATOM 231 O GLU A 17 4.595 4.177 -6.484 1.00 0.00 O ATOM 232 CB GLU A 17 4.100 7.359 -5.535 1.00 0.00 C ATOM 233 CG GLU A 17 4.826 8.624 -5.966 1.00 0.00 C ATOM 234 CD GLU A 17 6.111 8.852 -5.191 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.036 9.374 -4.059 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.190 8.508 -5.717 1.00 0.00 O ATOM 0 H GLU A 17 2.029 7.575 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 17 4.556 6.493 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.176 7.635 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.715 6.826 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.054 8.563 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.167 9.481 -5.830 1.00 0.00 H new ATOM 243 N PHE A 18 2.654 4.660 -5.456 1.00 0.00 N ATOM 244 CA PHE A 18 2.489 3.311 -4.926 1.00 0.00 C ATOM 245 C PHE A 18 2.290 2.315 -6.061 1.00 0.00 C ATOM 246 O PHE A 18 2.753 1.176 -5.990 1.00 0.00 O ATOM 247 CB PHE A 18 1.309 3.246 -3.951 1.00 0.00 C ATOM 248 CG PHE A 18 1.271 1.989 -3.117 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.410 1.215 -2.936 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.092 1.584 -2.512 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.371 0.065 -2.170 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.048 0.434 -1.744 1.00 0.00 C ATOM 253 CZ PHE A 18 1.188 -0.326 -1.574 1.00 0.00 C ATOM 0 H PHE A 18 1.907 5.309 -5.208 1.00 0.00 H new ATOM 0 HA PHE A 18 3.396 3.048 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.352 4.109 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.380 3.324 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.338 1.515 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.804 2.173 -2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.265 -0.527 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.878 0.131 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.155 -1.225 -0.976 1.00 0.00 H new ATOM 263 N SER A 19 1.609 2.755 -7.113 1.00 0.00 N ATOM 264 CA SER A 19 1.364 1.906 -8.271 1.00 0.00 C ATOM 265 C SER A 19 2.682 1.566 -8.954 1.00 0.00 C ATOM 266 O SER A 19 2.986 0.397 -9.199 1.00 0.00 O ATOM 267 CB SER A 19 0.426 2.603 -9.258 1.00 0.00 C ATOM 268 OG SER A 19 -0.926 2.475 -8.855 1.00 0.00 O ATOM 0 H SER A 19 1.217 3.694 -7.187 1.00 0.00 H new ATOM 0 HA SER A 19 0.889 0.985 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.689 3.658 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.555 2.174 -10.252 1.00 0.00 H new ATOM 0 HG SER A 19 -1.505 2.930 -9.502 1.00 0.00 H new ATOM 274 N VAL A 20 3.469 2.598 -9.244 1.00 0.00 N ATOM 275 CA VAL A 20 4.764 2.411 -9.879 1.00 0.00 C ATOM 276 C VAL A 20 5.687 1.617 -8.967 1.00 0.00 C ATOM 277 O VAL A 20 6.482 0.798 -9.427 1.00 0.00 O ATOM 278 CB VAL A 20 5.426 3.759 -10.224 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.668 3.541 -11.074 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.440 4.676 -10.930 1.00 0.00 C ATOM 0 H VAL A 20 3.231 3.570 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 20 4.597 1.862 -10.806 1.00 0.00 H new ATOM 0 HB VAL A 20 5.730 4.241 -9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.122 4.504 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.382 2.927 -10.525 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.391 3.036 -11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.927 5.622 -11.165 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.100 4.204 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.585 4.860 -10.280 1.00 0.00 H new ATOM 290 N LEU A 21 5.560 1.854 -7.663 1.00 0.00 N ATOM 291 CA LEU A 21 6.369 1.148 -6.678 1.00 0.00 C ATOM 292 C LEU A 21 6.079 -0.346 -6.748 1.00 0.00 C ATOM 293 O LEU A 21 6.994 -1.168 -6.766 1.00 0.00 O ATOM 294 CB LEU A 21 6.080 1.675 -5.270 1.00 0.00 C ATOM 295 CG LEU A 21 7.050 1.199 -4.190 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.478 1.571 -4.553 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.671 1.789 -2.840 1.00 0.00 C ATOM 0 H LEU A 21 4.905 2.528 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 21 7.422 1.319 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.095 2.765 -5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.070 1.377 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 21 6.986 0.113 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.154 1.224 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.746 1.103 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.559 2.654 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.371 1.440 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.708 2.877 -2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.662 1.473 -2.575 1.00 0.00 H new ATOM 309 N LEU A 22 4.795 -0.685 -6.812 1.00 0.00 N ATOM 310 CA LEU A 22 4.383 -2.078 -6.908 1.00 0.00 C ATOM 311 C LEU A 22 4.915 -2.675 -8.207 1.00 0.00 C ATOM 312 O LEU A 22 5.313 -3.839 -8.253 1.00 0.00 O ATOM 313 CB LEU A 22 2.859 -2.196 -6.843 1.00 0.00 C ATOM 314 CG LEU A 22 2.256 -1.956 -5.458 1.00 0.00 C ATOM 315 CD1 LEU A 22 0.837 -1.426 -5.572 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.284 -3.237 -4.639 1.00 0.00 C ATOM 0 H LEU A 22 4.026 -0.016 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 22 4.796 -2.632 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.423 -1.482 -7.542 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.571 -3.191 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 22 2.858 -1.205 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.428 -1.263 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.843 -0.484 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.220 -2.151 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.852 -3.050 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.706 -4.008 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.315 -3.573 -4.524 1.00 0.00 H new ATOM 328 N ASN A 23 4.947 -1.853 -9.258 1.00 0.00 N ATOM 329 CA ASN A 23 5.462 -2.284 -10.554 1.00 0.00 C ATOM 330 C ASN A 23 6.963 -2.553 -10.451 1.00 0.00 C ATOM 331 O ASN A 23 7.530 -3.311 -11.237 1.00 0.00 O ATOM 332 CB ASN A 23 5.187 -1.223 -11.621 1.00 0.00 C ATOM 333 CG ASN A 23 3.936 -1.524 -12.423 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.818 -1.398 -11.923 1.00 0.00 O ATOM 335 ND2 ASN A 23 4.118 -1.922 -13.677 1.00 0.00 N ATOM 0 H ASN A 23 4.622 -0.886 -9.235 1.00 0.00 H new ATOM 0 HA ASN A 23 4.954 -3.203 -10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.084 -0.249 -11.143 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.041 -1.159 -12.295 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.313 -2.137 -14.266 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.063 -2.013 -14.051 1.00 0.00 H new ATOM 342 N GLN A 24 7.589 -1.938 -9.448 1.00 0.00 N ATOM 343 CA GLN A 24 9.014 -2.107 -9.183 1.00 0.00 C ATOM 344 C GLN A 24 9.246 -3.352 -8.328 1.00 0.00 C ATOM 345 O GLN A 24 10.253 -3.466 -7.628 1.00 0.00 O ATOM 346 CB GLN A 24 9.581 -0.871 -8.479 1.00 0.00 C ATOM 347 CG GLN A 24 9.816 0.305 -9.415 1.00 0.00 C ATOM 348 CD GLN A 24 10.705 -0.053 -10.590 1.00 0.00 C ATOM 349 OE1 GLN A 24 10.256 -0.669 -11.556 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.973 0.332 -10.511 1.00 0.00 N ATOM 0 H GLN A 24 7.120 -1.308 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 24 9.530 -2.230 -10.135 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.895 -0.565 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.522 -1.136 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.857 0.666 -9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.270 1.124 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.301 0.841 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.619 0.119 -11.271 1.00 0.00 H new ATOM 359 N GLN A 25 8.302 -4.287 -8.405 1.00 0.00 N ATOM 360 CA GLN A 25 8.386 -5.532 -7.660 1.00 0.00 C ATOM 361 C GLN A 25 8.637 -6.703 -8.600 1.00 0.00 C ATOM 362 O GLN A 25 7.733 -7.154 -9.304 1.00 0.00 O ATOM 363 CB GLN A 25 7.102 -5.764 -6.865 1.00 0.00 C ATOM 364 CG GLN A 25 6.803 -4.664 -5.860 1.00 0.00 C ATOM 365 CD GLN A 25 7.913 -4.487 -4.842 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.849 -5.285 -4.782 1.00 0.00 O ATOM 367 NE2 GLN A 25 7.812 -3.438 -4.033 1.00 0.00 N ATOM 0 H GLN A 25 7.465 -4.201 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 25 9.222 -5.459 -6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.265 -5.849 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.177 -6.715 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.648 -3.724 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.872 -4.894 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.019 -2.803 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.528 -3.268 -3.326 1.00 0.00 H new ATOM 376 N VAL A 26 9.870 -7.191 -8.603 1.00 0.00 N ATOM 377 CA VAL A 26 10.249 -8.312 -9.450 1.00 0.00 C ATOM 378 C VAL A 26 10.866 -9.422 -8.615 1.00 0.00 C ATOM 379 O VAL A 26 11.821 -9.194 -7.873 1.00 0.00 O ATOM 380 CB VAL A 26 11.250 -7.886 -10.542 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.542 -7.114 -11.644 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.376 -7.059 -9.941 1.00 0.00 C ATOM 0 H VAL A 26 10.627 -6.826 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 26 9.341 -8.673 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 26 11.684 -8.784 -10.981 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.265 -6.822 -12.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.775 -7.744 -12.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.078 -6.222 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.073 -6.767 -10.727 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.962 -6.166 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.902 -7.650 -9.191 1.00 0.00 H new ATOM 392 N PHE A 27 10.312 -10.624 -8.725 1.00 0.00 N ATOM 393 CA PHE A 27 10.817 -11.755 -7.962 1.00 0.00 C ATOM 394 C PHE A 27 11.067 -12.970 -8.847 1.00 0.00 C ATOM 395 O PHE A 27 10.145 -13.724 -9.153 1.00 0.00 O ATOM 396 CB PHE A 27 9.837 -12.143 -6.851 1.00 0.00 C ATOM 397 CG PHE A 27 9.070 -10.992 -6.269 1.00 0.00 C ATOM 398 CD1 PHE A 27 9.731 -9.884 -5.763 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.687 -11.025 -6.220 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.023 -8.829 -5.220 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.975 -9.973 -5.679 1.00 0.00 C ATOM 402 CZ PHE A 27 7.643 -8.876 -5.179 1.00 0.00 C ATOM 0 H PHE A 27 9.519 -10.838 -9.330 1.00 0.00 H new ATOM 0 HA PHE A 27 11.765 -11.440 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.130 -12.872 -7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.390 -12.636 -6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 27 10.810 -9.845 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.159 -11.883 -6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.547 -7.970 -4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.896 -10.010 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.087 -8.053 -4.755 1.00 0.00 H new ATOM 412 N ASN A 28 12.322 -13.178 -9.223 1.00 0.00 N ATOM 413 CA ASN A 28 12.685 -14.333 -10.032 1.00 0.00 C ATOM 414 C ASN A 28 12.820 -15.538 -9.112 1.00 0.00 C ATOM 415 O ASN A 28 12.123 -16.542 -9.263 1.00 0.00 O ATOM 416 CB ASN A 28 13.996 -14.079 -10.781 1.00 0.00 C ATOM 417 CG ASN A 28 13.785 -13.908 -12.273 1.00 0.00 C ATOM 418 OD1 ASN A 28 14.269 -14.709 -13.075 1.00 0.00 O ATOM 419 ND2 ASN A 28 13.061 -12.862 -12.654 1.00 0.00 N ATOM 0 H ASN A 28 13.101 -12.566 -8.982 1.00 0.00 H new ATOM 0 HA ASN A 28 11.912 -14.519 -10.778 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.474 -13.185 -10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.678 -14.911 -10.606 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.886 -12.696 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.679 -12.224 -11.955 1.00 0.00 H new ATOM 426 N ASP A 29 13.710 -15.402 -8.135 1.00 0.00 N ATOM 427 CA ASP A 29 13.948 -16.439 -7.141 1.00 0.00 C ATOM 428 C ASP A 29 13.595 -15.893 -5.758 1.00 0.00 C ATOM 429 O ASP A 29 13.305 -14.704 -5.623 1.00 0.00 O ATOM 430 CB ASP A 29 15.411 -16.888 -7.182 1.00 0.00 C ATOM 431 CG ASP A 29 15.568 -18.294 -7.727 1.00 0.00 C ATOM 432 OD1 ASP A 29 14.998 -18.581 -8.802 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.259 -19.108 -7.080 1.00 0.00 O ATOM 0 H ASP A 29 14.286 -14.569 -8.011 1.00 0.00 H new ATOM 0 HA ASP A 29 13.322 -17.304 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.984 -16.196 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.831 -16.842 -6.177 1.00 0.00 H new ATOM 438 N PRO A 30 13.603 -16.737 -4.711 1.00 0.00 N ATOM 439 CA PRO A 30 13.272 -16.300 -3.344 1.00 0.00 C ATOM 440 C PRO A 30 14.300 -15.318 -2.777 1.00 0.00 C ATOM 441 O PRO A 30 14.889 -15.555 -1.723 1.00 0.00 O ATOM 442 CB PRO A 30 13.275 -17.602 -2.541 1.00 0.00 C ATOM 443 CG PRO A 30 14.133 -18.533 -3.326 1.00 0.00 C ATOM 444 CD PRO A 30 13.924 -18.173 -4.769 1.00 0.00 C ATOM 0 HA PRO A 30 12.323 -15.765 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.674 -17.447 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.266 -17.997 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.181 -18.428 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.856 -19.570 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.816 -18.363 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.114 -18.750 -5.215 1.00 0.00 H new ATOM 452 N LEU A 31 14.514 -14.223 -3.498 1.00 0.00 N ATOM 453 CA LEU A 31 15.470 -13.192 -3.109 1.00 0.00 C ATOM 454 C LEU A 31 15.372 -12.827 -1.628 1.00 0.00 C ATOM 455 O LEU A 31 16.195 -13.251 -0.817 1.00 0.00 O ATOM 456 CB LEU A 31 15.241 -11.945 -3.964 1.00 0.00 C ATOM 457 CG LEU A 31 15.991 -11.922 -5.297 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.682 -13.175 -6.103 1.00 0.00 C ATOM 459 CD2 LEU A 31 15.628 -10.675 -6.089 1.00 0.00 C ATOM 0 H LEU A 31 14.027 -14.024 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 31 16.470 -13.592 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.174 -11.853 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.534 -11.069 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 31 17.061 -11.900 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.224 -13.142 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.989 -14.056 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.611 -13.226 -6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.170 -10.674 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.556 -10.668 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.898 -9.788 -5.515 1.00 0.00 H new ATOM 471 N VAL A 32 14.371 -12.025 -1.293 1.00 0.00 N ATOM 472 CA VAL A 32 14.166 -11.578 0.084 1.00 0.00 C ATOM 473 C VAL A 32 13.041 -12.361 0.761 1.00 0.00 C ATOM 474 O VAL A 32 12.188 -12.945 0.093 1.00 0.00 O ATOM 475 CB VAL A 32 13.888 -10.045 0.159 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.637 -9.455 -1.222 1.00 0.00 C ATOM 477 CG2 VAL A 32 12.725 -9.727 1.091 1.00 0.00 C ATOM 0 H VAL A 32 13.684 -11.668 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 32 15.092 -11.775 0.624 1.00 0.00 H new ATOM 0 HB VAL A 32 14.785 -9.582 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.447 -8.386 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.512 -9.616 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.772 -9.940 -1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.563 -8.649 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.823 -10.221 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.956 -10.083 2.095 1.00 0.00 H new ATOM 487 N SER A 33 13.051 -12.365 2.092 1.00 0.00 N ATOM 488 CA SER A 33 12.035 -13.069 2.867 1.00 0.00 C ATOM 489 C SER A 33 10.760 -12.239 2.977 1.00 0.00 C ATOM 490 O SER A 33 10.756 -11.046 2.677 1.00 0.00 O ATOM 491 CB SER A 33 12.566 -13.396 4.263 1.00 0.00 C ATOM 492 OG SER A 33 13.113 -12.246 4.884 1.00 0.00 O ATOM 0 H SER A 33 13.754 -11.887 2.656 1.00 0.00 H new ATOM 0 HA SER A 33 11.798 -13.998 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.759 -13.796 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.328 -14.172 4.193 1.00 0.00 H new ATOM 0 HG SER A 33 13.444 -12.482 5.776 1.00 0.00 H new ATOM 498 N GLU A 34 9.681 -12.880 3.413 1.00 0.00 N ATOM 499 CA GLU A 34 8.397 -12.206 3.566 1.00 0.00 C ATOM 500 C GLU A 34 8.419 -11.240 4.743 1.00 0.00 C ATOM 501 O GLU A 34 7.682 -10.256 4.759 1.00 0.00 O ATOM 502 CB GLU A 34 7.279 -13.232 3.757 1.00 0.00 C ATOM 503 CG GLU A 34 7.599 -14.292 4.800 1.00 0.00 C ATOM 504 CD GLU A 34 6.421 -14.596 5.704 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.969 -13.677 6.418 1.00 0.00 O ATOM 506 OE2 GLU A 34 5.951 -15.753 5.697 1.00 0.00 O ATOM 0 H GLU A 34 9.670 -13.868 3.667 1.00 0.00 H new ATOM 0 HA GLU A 34 8.209 -11.634 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.366 -12.712 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.079 -13.721 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.912 -15.207 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.440 -13.957 5.406 1.00 0.00 H new ATOM 513 N GLU A 35 9.266 -11.519 5.726 1.00 0.00 N ATOM 514 CA GLU A 35 9.372 -10.661 6.899 1.00 0.00 C ATOM 515 C GLU A 35 9.976 -9.314 6.523 1.00 0.00 C ATOM 516 O GLU A 35 9.568 -8.275 7.043 1.00 0.00 O ATOM 517 CB GLU A 35 10.222 -11.334 7.978 1.00 0.00 C ATOM 518 CG GLU A 35 9.998 -10.766 9.370 1.00 0.00 C ATOM 519 CD GLU A 35 11.250 -10.143 9.956 1.00 0.00 C ATOM 520 OE1 GLU A 35 12.029 -10.875 10.604 1.00 0.00 O ATOM 521 OE2 GLU A 35 11.452 -8.925 9.770 1.00 0.00 O ATOM 0 H GLU A 35 9.887 -12.328 5.735 1.00 0.00 H new ATOM 0 HA GLU A 35 8.369 -10.496 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.001 -12.401 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.275 -11.230 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.209 -10.015 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.649 -11.560 10.030 1.00 0.00 H new ATOM 528 N ASP A 36 10.934 -9.333 5.599 1.00 0.00 N ATOM 529 CA ASP A 36 11.575 -8.105 5.144 1.00 0.00 C ATOM 530 C ASP A 36 10.632 -7.327 4.239 1.00 0.00 C ATOM 531 O ASP A 36 10.437 -6.122 4.408 1.00 0.00 O ATOM 532 CB ASP A 36 12.876 -8.415 4.406 1.00 0.00 C ATOM 533 CG ASP A 36 13.758 -7.192 4.253 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.306 -6.722 5.273 1.00 0.00 O ATOM 535 OD2 ASP A 36 13.903 -6.702 3.113 1.00 0.00 O ATOM 0 H ASP A 36 11.281 -10.182 5.153 1.00 0.00 H new ATOM 0 HA ASP A 36 11.812 -7.497 6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.422 -9.188 4.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.644 -8.818 3.420 1.00 0.00 H new ATOM 540 N MET A 37 10.028 -8.032 3.291 1.00 0.00 N ATOM 541 CA MET A 37 9.081 -7.418 2.372 1.00 0.00 C ATOM 542 C MET A 37 7.909 -6.853 3.162 1.00 0.00 C ATOM 543 O MET A 37 7.495 -5.711 2.960 1.00 0.00 O ATOM 544 CB MET A 37 8.585 -8.442 1.348 1.00 0.00 C ATOM 545 CG MET A 37 7.868 -7.817 0.162 1.00 0.00 C ATOM 546 SD MET A 37 9.000 -7.008 -0.985 1.00 0.00 S ATOM 547 CE MET A 37 8.649 -5.285 -0.645 1.00 0.00 C ATOM 0 H MET A 37 10.178 -9.029 3.139 1.00 0.00 H new ATOM 0 HA MET A 37 9.578 -6.612 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.434 -9.021 0.985 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.911 -9.141 1.843 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.310 -8.589 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 37 7.142 -7.089 0.524 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.572 -4.708 -0.702 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.939 -4.907 -1.380 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.223 -5.191 0.354 1.00 0.00 H new ATOM 557 N VAL A 38 7.395 -7.665 4.079 1.00 0.00 N ATOM 558 CA VAL A 38 6.287 -7.268 4.931 1.00 0.00 C ATOM 559 C VAL A 38 6.634 -5.992 5.696 1.00 0.00 C ATOM 560 O VAL A 38 5.812 -5.085 5.806 1.00 0.00 O ATOM 561 CB VAL A 38 5.924 -8.399 5.924 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.162 -7.867 7.131 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.120 -9.482 5.219 1.00 0.00 C ATOM 0 H VAL A 38 7.734 -8.612 4.250 1.00 0.00 H new ATOM 0 HA VAL A 38 5.423 -7.075 4.295 1.00 0.00 H new ATOM 0 HB VAL A 38 6.855 -8.831 6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.926 -8.691 7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.776 -7.135 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.238 -7.394 6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.872 -10.271 5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.202 -9.051 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.710 -9.900 4.403 1.00 0.00 H new ATOM 573 N THR A 39 7.856 -5.927 6.220 1.00 0.00 N ATOM 574 CA THR A 39 8.292 -4.749 6.968 1.00 0.00 C ATOM 575 C THR A 39 8.363 -3.526 6.061 1.00 0.00 C ATOM 576 O THR A 39 8.089 -2.407 6.494 1.00 0.00 O ATOM 577 CB THR A 39 9.651 -4.982 7.629 1.00 0.00 C ATOM 578 OG1 THR A 39 10.338 -6.055 7.015 1.00 0.00 O ATOM 579 CG2 THR A 39 9.547 -5.280 9.109 1.00 0.00 C ATOM 0 H THR A 39 8.555 -6.666 6.142 1.00 0.00 H new ATOM 0 HA THR A 39 7.554 -4.568 7.749 1.00 0.00 H new ATOM 0 HB THR A 39 10.199 -4.049 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.071 -6.898 7.437 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.545 -5.436 9.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.072 -4.440 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.949 -6.179 9.258 1.00 0.00 H new ATOM 587 N VAL A 40 8.719 -3.744 4.801 1.00 0.00 N ATOM 588 CA VAL A 40 8.808 -2.654 3.840 1.00 0.00 C ATOM 589 C VAL A 40 7.414 -2.214 3.412 1.00 0.00 C ATOM 590 O VAL A 40 7.160 -1.030 3.191 1.00 0.00 O ATOM 591 CB VAL A 40 9.614 -3.061 2.592 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.846 -1.857 1.692 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.935 -3.704 2.993 1.00 0.00 C ATOM 0 H VAL A 40 8.950 -4.663 4.423 1.00 0.00 H new ATOM 0 HA VAL A 40 9.324 -1.829 4.331 1.00 0.00 H new ATOM 0 HB VAL A 40 9.037 -3.797 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.417 -2.163 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.886 -1.449 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.402 -1.095 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.490 -3.985 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.522 -2.995 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.740 -4.593 3.592 1.00 0.00 H new ATOM 603 N VAL A 41 6.513 -3.185 3.307 1.00 0.00 N ATOM 604 CA VAL A 41 5.137 -2.918 2.916 1.00 0.00 C ATOM 605 C VAL A 41 4.378 -2.228 4.046 1.00 0.00 C ATOM 606 O VAL A 41 3.658 -1.256 3.819 1.00 0.00 O ATOM 607 CB VAL A 41 4.412 -4.224 2.525 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.932 -3.976 2.264 1.00 0.00 C ATOM 609 CG2 VAL A 41 5.075 -4.854 1.309 1.00 0.00 C ATOM 0 H VAL A 41 6.714 -4.168 3.489 1.00 0.00 H new ATOM 0 HA VAL A 41 5.161 -2.257 2.050 1.00 0.00 H new ATOM 0 HB VAL A 41 4.489 -4.918 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.449 -4.914 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.466 -3.576 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.821 -3.260 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.553 -5.774 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.032 -4.159 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.116 -5.081 1.539 1.00 0.00 H new ATOM 619 N GLU A 42 4.552 -2.732 5.265 1.00 0.00 N ATOM 620 CA GLU A 42 3.889 -2.161 6.432 1.00 0.00 C ATOM 621 C GLU A 42 4.404 -0.753 6.700 1.00 0.00 C ATOM 622 O GLU A 42 3.628 0.165 6.963 1.00 0.00 O ATOM 623 CB GLU A 42 4.116 -3.046 7.659 1.00 0.00 C ATOM 624 CG GLU A 42 2.997 -4.043 7.906 1.00 0.00 C ATOM 625 CD GLU A 42 3.250 -4.915 9.121 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.422 -4.358 10.226 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.276 -6.154 8.968 1.00 0.00 O ATOM 0 H GLU A 42 5.147 -3.535 5.469 1.00 0.00 H new ATOM 0 HA GLU A 42 2.819 -2.109 6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.054 -3.588 7.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.227 -2.412 8.538 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.059 -3.505 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.879 -4.677 7.027 1.00 0.00 H new ATOM 634 N ASP A 43 5.720 -0.590 6.621 1.00 0.00 N ATOM 635 CA ASP A 43 6.340 0.707 6.845 1.00 0.00 C ATOM 636 C ASP A 43 5.863 1.709 5.799 1.00 0.00 C ATOM 637 O ASP A 43 5.580 2.865 6.108 1.00 0.00 O ATOM 638 CB ASP A 43 7.864 0.584 6.794 1.00 0.00 C ATOM 639 CG ASP A 43 8.563 1.778 7.415 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.407 2.899 6.885 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.265 1.594 8.430 1.00 0.00 O ATOM 0 H ASP A 43 6.376 -1.340 6.404 1.00 0.00 H new ATOM 0 HA ASP A 43 6.049 1.063 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.170 -0.323 7.315 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.183 0.479 5.757 1.00 0.00 H new ATOM 646 N TRP A 44 5.791 1.248 4.553 1.00 0.00 N ATOM 647 CA TRP A 44 5.365 2.091 3.441 1.00 0.00 C ATOM 648 C TRP A 44 3.945 2.616 3.644 1.00 0.00 C ATOM 649 O TRP A 44 3.678 3.801 3.439 1.00 0.00 O ATOM 650 CB TRP A 44 5.428 1.303 2.130 1.00 0.00 C ATOM 651 CG TRP A 44 6.801 1.222 1.534 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.930 1.853 1.974 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.187 0.465 0.383 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.994 1.532 1.164 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.562 0.681 0.181 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.499 -0.378 -0.496 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.263 0.085 -0.865 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.196 -0.968 -1.533 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.565 -0.736 -1.710 1.00 0.00 C ATOM 0 H TRP A 44 6.023 0.291 4.288 1.00 0.00 H new ATOM 0 HA TRP A 44 6.044 2.943 3.397 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.060 0.293 2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.756 1.765 1.407 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.980 2.508 2.832 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.949 1.872 1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.443 -0.564 -0.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.319 0.264 -1.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.675 -1.620 -2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.081 -1.214 -2.529 1.00 0.00 H new ATOM 670 N MET A 45 3.036 1.732 4.041 1.00 0.00 N ATOM 671 CA MET A 45 1.647 2.120 4.258 1.00 0.00 C ATOM 672 C MET A 45 1.497 2.995 5.499 1.00 0.00 C ATOM 673 O MET A 45 0.711 3.942 5.508 1.00 0.00 O ATOM 674 CB MET A 45 0.754 0.882 4.378 1.00 0.00 C ATOM 675 CG MET A 45 1.185 -0.080 5.473 1.00 0.00 C ATOM 676 SD MET A 45 -0.118 -1.239 5.930 1.00 0.00 S ATOM 677 CE MET A 45 0.072 -2.480 4.653 1.00 0.00 C ATOM 0 H MET A 45 3.234 0.747 4.218 1.00 0.00 H new ATOM 0 HA MET A 45 1.332 2.703 3.393 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.270 1.201 4.570 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.750 0.354 3.424 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.060 -0.637 5.139 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.486 0.488 6.353 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.819 -3.107 4.619 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.209 -1.991 3.688 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.942 -3.098 4.873 1.00 0.00 H new ATOM 687 N ASN A 46 2.248 2.676 6.547 1.00 0.00 N ATOM 688 CA ASN A 46 2.182 3.439 7.789 1.00 0.00 C ATOM 689 C ASN A 46 2.784 4.831 7.609 1.00 0.00 C ATOM 690 O ASN A 46 2.346 5.798 8.241 1.00 0.00 O ATOM 691 CB ASN A 46 2.903 2.691 8.914 1.00 0.00 C ATOM 692 CG ASN A 46 1.986 2.380 10.081 1.00 0.00 C ATOM 693 OD1 ASN A 46 1.307 3.264 10.604 1.00 0.00 O ATOM 694 ND2 ASN A 46 1.963 1.119 10.496 1.00 0.00 N ATOM 0 H ASN A 46 2.907 1.898 6.562 1.00 0.00 H new ATOM 0 HA ASN A 46 1.132 3.554 8.059 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.316 1.762 8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.743 3.290 9.265 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.366 0.850 11.278 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.543 0.419 10.033 1.00 0.00 H new ATOM 701 N PHE A 47 3.778 4.939 6.740 1.00 0.00 N ATOM 702 CA PHE A 47 4.408 6.225 6.489 1.00 0.00 C ATOM 703 C PHE A 47 3.492 7.101 5.647 1.00 0.00 C ATOM 704 O PHE A 47 3.315 8.279 5.939 1.00 0.00 O ATOM 705 CB PHE A 47 5.780 6.042 5.817 1.00 0.00 C ATOM 706 CG PHE A 47 5.924 6.722 4.480 1.00 0.00 C ATOM 707 CD1 PHE A 47 6.048 8.101 4.392 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.938 5.976 3.312 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.182 8.721 3.164 1.00 0.00 C ATOM 710 CE2 PHE A 47 6.071 6.591 2.082 1.00 0.00 C ATOM 711 CZ PHE A 47 6.194 7.965 2.008 1.00 0.00 C ATOM 0 H PHE A 47 4.162 4.161 6.203 1.00 0.00 H new ATOM 0 HA PHE A 47 4.576 6.724 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.551 6.422 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.967 4.976 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.040 8.697 5.293 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.844 4.901 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.277 9.795 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.079 5.998 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.299 8.447 1.048 1.00 0.00 H new ATOM 721 N TYR A 48 2.902 6.519 4.610 1.00 0.00 N ATOM 722 CA TYR A 48 1.999 7.266 3.748 1.00 0.00 C ATOM 723 C TYR A 48 0.762 7.706 4.523 1.00 0.00 C ATOM 724 O TYR A 48 0.261 8.813 4.326 1.00 0.00 O ATOM 725 CB TYR A 48 1.596 6.428 2.533 1.00 0.00 C ATOM 726 CG TYR A 48 2.443 6.697 1.308 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.792 7.995 0.947 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.894 5.652 0.513 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.565 8.240 -0.172 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.668 5.890 -0.607 1.00 0.00 C ATOM 731 CZ TYR A 48 4.001 7.185 -0.945 1.00 0.00 C ATOM 732 OH TYR A 48 4.771 7.425 -2.059 1.00 0.00 O ATOM 0 H TYR A 48 3.032 5.542 4.348 1.00 0.00 H new ATOM 0 HA TYR A 48 2.522 8.155 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.668 5.371 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.551 6.627 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.453 8.824 1.551 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.636 4.636 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.826 9.253 -0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.011 5.066 -1.215 1.00 0.00 H new ATOM 0 HH TYR A 48 4.995 6.574 -2.491 1.00 0.00 H new ATOM 742 N ILE A 49 0.273 6.840 5.409 1.00 0.00 N ATOM 743 CA ILE A 49 -0.902 7.165 6.206 1.00 0.00 C ATOM 744 C ILE A 49 -0.618 8.344 7.135 1.00 0.00 C ATOM 745 O ILE A 49 -1.379 9.312 7.165 1.00 0.00 O ATOM 746 CB ILE A 49 -1.404 5.957 7.031 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.711 6.307 7.740 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.362 5.514 8.035 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.502 5.096 8.185 1.00 0.00 C ATOM 0 H ILE A 49 0.669 5.918 5.590 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.690 7.439 5.505 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.586 5.129 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.489 6.925 8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.328 6.908 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.741 4.663 8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.548 5.224 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.142 6.335 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.417 5.421 8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.756 4.488 7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.904 4.506 8.879 1.00 0.00 H new ATOM 761 N ASN A 50 0.484 8.274 7.885 1.00 0.00 N ATOM 762 CA ASN A 50 0.839 9.364 8.791 1.00 0.00 C ATOM 763 C ASN A 50 1.281 10.591 7.997 1.00 0.00 C ATOM 764 O ASN A 50 1.085 11.728 8.425 1.00 0.00 O ATOM 765 CB ASN A 50 1.929 8.932 9.780 1.00 0.00 C ATOM 766 CG ASN A 50 3.258 8.618 9.117 1.00 0.00 C ATOM 767 OD1 ASN A 50 3.681 9.298 8.183 1.00 0.00 O ATOM 768 ND2 ASN A 50 3.929 7.584 9.610 1.00 0.00 N ATOM 0 H ASN A 50 1.134 7.488 7.883 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.046 9.626 9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.076 9.724 10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.587 8.052 10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.833 7.326 9.213 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.541 7.047 10.386 1.00 0.00 H new ATOM 775 N TYR A 51 1.875 10.340 6.836 1.00 0.00 N ATOM 776 CA TYR A 51 2.351 11.400 5.956 1.00 0.00 C ATOM 777 C TYR A 51 1.184 12.211 5.402 1.00 0.00 C ATOM 778 O TYR A 51 1.192 13.442 5.437 1.00 0.00 O ATOM 779 CB TYR A 51 3.149 10.771 4.812 1.00 0.00 C ATOM 780 CG TYR A 51 3.822 11.755 3.887 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.114 12.387 2.872 1.00 0.00 C ATOM 782 CD2 TYR A 51 5.176 12.028 4.011 1.00 0.00 C ATOM 783 CE1 TYR A 51 3.740 13.265 2.010 1.00 0.00 C ATOM 784 CE2 TYR A 51 5.808 12.907 3.157 1.00 0.00 C ATOM 785 CZ TYR A 51 5.086 13.524 2.156 1.00 0.00 C ATOM 786 OH TYR A 51 5.713 14.399 1.297 1.00 0.00 O ATOM 0 H TYR A 51 2.040 9.399 6.479 1.00 0.00 H new ATOM 0 HA TYR A 51 2.989 12.078 6.523 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.910 10.116 5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.479 10.143 4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.059 12.188 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.746 11.544 4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.177 13.747 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.862 13.111 3.271 1.00 0.00 H new ATOM 0 HH TYR A 51 6.660 14.471 1.537 1.00 0.00 H new ATOM 796 N TYR A 52 0.182 11.505 4.895 1.00 0.00 N ATOM 797 CA TYR A 52 -1.006 12.135 4.330 1.00 0.00 C ATOM 798 C TYR A 52 -1.912 12.686 5.422 1.00 0.00 C ATOM 799 O TYR A 52 -2.672 13.627 5.194 1.00 0.00 O ATOM 800 CB TYR A 52 -1.767 11.144 3.455 1.00 0.00 C ATOM 801 CG TYR A 52 -1.011 10.783 2.203 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.534 11.775 1.357 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.756 9.460 1.877 1.00 0.00 C ATOM 804 CE1 TYR A 52 0.173 11.459 0.216 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.044 9.133 0.741 1.00 0.00 C ATOM 806 CZ TYR A 52 0.419 10.138 -0.088 1.00 0.00 C ATOM 807 OH TYR A 52 1.137 9.821 -1.219 1.00 0.00 O ATOM 0 H TYR A 52 0.168 10.486 4.863 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.681 12.972 3.712 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.969 10.239 4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.732 11.571 3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.720 12.812 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.120 8.674 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.532 12.242 -0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.150 8.098 0.501 1.00 0.00 H new ATOM 0 HH TYR A 52 1.919 9.285 -0.971 1.00 0.00 H new ATOM 817 N ARG A 53 -1.811 12.112 6.614 1.00 0.00 N ATOM 818 CA ARG A 53 -2.609 12.570 7.741 1.00 0.00 C ATOM 819 C ARG A 53 -2.156 13.961 8.191 1.00 0.00 C ATOM 820 O ARG A 53 -2.818 14.601 9.008 1.00 0.00 O ATOM 821 CB ARG A 53 -2.505 11.583 8.905 1.00 0.00 C ATOM 822 CG ARG A 53 -3.589 11.764 9.958 1.00 0.00 C ATOM 823 CD ARG A 53 -3.018 11.700 11.366 1.00 0.00 C ATOM 824 NE ARG A 53 -2.730 10.327 11.779 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.655 9.476 12.218 1.00 0.00 C ATOM 826 NH1 ARG A 53 -4.926 9.851 12.304 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.308 8.246 12.570 1.00 0.00 N ATOM 0 H ARG A 53 -1.187 11.333 6.824 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.649 12.628 7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.556 10.567 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.529 11.694 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.085 12.723 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.348 10.991 9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.104 12.292 11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.725 12.148 12.064 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.764 10.002 11.728 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.198 10.796 12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.630 9.194 12.641 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.333 7.953 12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.016 7.593 12.907 1.00 0.00 H new ATOM 841 N GLN A 54 -1.019 14.421 7.662 1.00 0.00 N ATOM 842 CA GLN A 54 -0.480 15.723 8.014 1.00 0.00 C ATOM 843 C GLN A 54 -0.818 16.753 6.949 1.00 0.00 C ATOM 844 O GLN A 54 -0.968 17.936 7.255 1.00 0.00 O ATOM 845 CB GLN A 54 1.037 15.639 8.199 1.00 0.00 C ATOM 846 CG GLN A 54 1.455 14.980 9.503 1.00 0.00 C ATOM 847 CD GLN A 54 2.939 14.674 9.553 1.00 0.00 C ATOM 848 OE1 GLN A 54 3.774 15.555 9.352 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.275 13.417 9.823 1.00 0.00 N ATOM 0 H GLN A 54 -0.457 13.903 6.986 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.935 16.036 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.466 15.082 7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.456 16.645 8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.194 15.633 10.336 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.893 14.056 9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.549 12.718 9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.259 13.151 9.870 1.00 0.00 H new ATOM 858 N GLN A 55 -0.946 16.311 5.693 1.00 0.00 N ATOM 859 CA GLN A 55 -1.281 17.210 4.591 1.00 0.00 C ATOM 860 C GLN A 55 -2.731 17.667 4.717 1.00 0.00 C ATOM 861 O GLN A 55 -3.546 17.477 3.813 1.00 0.00 O ATOM 862 CB GLN A 55 -1.064 16.501 3.249 1.00 0.00 C ATOM 863 CG GLN A 55 0.240 16.868 2.561 1.00 0.00 C ATOM 864 CD GLN A 55 1.389 15.973 2.973 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.977 15.286 2.140 1.00 0.00 O ATOM 866 NE2 GLN A 55 1.717 15.976 4.258 1.00 0.00 N ATOM 0 H GLN A 55 -0.822 15.337 5.418 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.630 18.083 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.087 15.423 3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.894 16.741 2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.106 16.807 1.481 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.490 17.903 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.201 16.562 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.485 15.392 4.590 1.00 0.00 H new ATOM 875 N VAL A 56 -3.030 18.276 5.855 1.00 0.00 N ATOM 876 CA VAL A 56 -4.376 18.773 6.127 1.00 0.00 C ATOM 877 C VAL A 56 -4.402 19.742 7.303 1.00 0.00 C ATOM 878 O VAL A 56 -3.654 19.584 8.268 1.00 0.00 O ATOM 879 CB VAL A 56 -5.373 17.627 6.410 1.00 0.00 C ATOM 880 CG1 VAL A 56 -6.667 17.860 5.646 1.00 0.00 C ATOM 881 CG2 VAL A 56 -4.782 16.261 6.068 1.00 0.00 C ATOM 0 H VAL A 56 -2.360 18.439 6.607 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.681 19.298 5.222 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.586 17.626 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.363 17.047 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.110 18.805 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.457 17.895 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -5.515 15.483 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.520 16.232 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.888 16.091 6.668 1.00 0.00 H new ATOM 891 N THR A 57 -5.302 20.722 7.233 1.00 0.00 N ATOM 892 CA THR A 57 -5.473 21.700 8.307 1.00 0.00 C ATOM 893 C THR A 57 -6.737 22.523 8.068 1.00 0.00 C ATOM 894 O THR A 57 -6.968 22.992 6.954 1.00 0.00 O ATOM 895 CB THR A 57 -4.254 22.629 8.433 1.00 0.00 C ATOM 896 OG1 THR A 57 -4.635 23.989 8.312 1.00 0.00 O ATOM 897 CG2 THR A 57 -3.170 22.372 7.407 1.00 0.00 C ATOM 0 H THR A 57 -5.927 20.860 6.439 1.00 0.00 H new ATOM 0 HA THR A 57 -5.568 21.151 9.244 1.00 0.00 H new ATOM 0 HB THR A 57 -3.849 22.412 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.843 24.559 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.347 23.069 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.805 21.350 7.511 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.577 22.512 6.405 1.00 0.00 H new ATOM 905 N GLY A 58 -7.546 22.722 9.106 1.00 0.00 N ATOM 906 CA GLY A 58 -8.759 23.516 8.954 1.00 0.00 C ATOM 907 C GLY A 58 -9.934 22.737 8.381 1.00 0.00 C ATOM 908 O GLY A 58 -11.062 22.865 8.856 1.00 0.00 O ATOM 0 H GLY A 58 -7.387 22.352 10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.042 23.920 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.547 24.366 8.305 1.00 0.00 H new ATOM 912 N GLU A 59 -9.668 21.939 7.355 1.00 0.00 N ATOM 913 CA GLU A 59 -10.712 21.147 6.708 1.00 0.00 C ATOM 914 C GLU A 59 -10.721 19.711 7.230 1.00 0.00 C ATOM 915 O GLU A 59 -9.937 18.878 6.781 1.00 0.00 O ATOM 916 CB GLU A 59 -10.517 21.154 5.194 1.00 0.00 C ATOM 917 CG GLU A 59 -11.778 21.508 4.422 1.00 0.00 C ATOM 918 CD GLU A 59 -12.212 22.944 4.644 1.00 0.00 C ATOM 919 OE1 GLU A 59 -11.950 23.481 5.741 1.00 0.00 O ATOM 920 OE2 GLU A 59 -12.813 23.532 3.720 1.00 0.00 O ATOM 0 H GLU A 59 -8.739 21.821 6.951 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.674 21.600 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.733 21.867 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.170 20.171 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.607 21.344 3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.584 20.838 4.722 1.00 0.00 H new ATOM 927 N PRO A 60 -11.611 19.399 8.191 1.00 0.00 N ATOM 928 CA PRO A 60 -11.702 18.052 8.761 1.00 0.00 C ATOM 929 C PRO A 60 -12.220 17.021 7.765 1.00 0.00 C ATOM 930 O PRO A 60 -11.632 15.955 7.606 1.00 0.00 O ATOM 931 CB PRO A 60 -12.686 18.218 9.923 1.00 0.00 C ATOM 932 CG PRO A 60 -13.505 19.408 9.558 1.00 0.00 C ATOM 933 CD PRO A 60 -12.589 20.323 8.796 1.00 0.00 C ATOM 0 HA PRO A 60 -10.723 17.679 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.308 17.331 10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.162 18.372 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -14.363 19.120 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.896 19.900 10.448 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.128 20.891 8.038 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -12.106 21.046 9.453 1.00 0.00 H new ATOM 941 N GLN A 61 -13.325 17.326 7.095 1.00 0.00 N ATOM 942 CA GLN A 61 -13.897 16.400 6.127 1.00 0.00 C ATOM 943 C GLN A 61 -12.885 16.050 5.040 1.00 0.00 C ATOM 944 O GLN A 61 -12.884 14.938 4.518 1.00 0.00 O ATOM 945 CB GLN A 61 -15.154 17.007 5.497 1.00 0.00 C ATOM 946 CG GLN A 61 -16.434 16.281 5.876 1.00 0.00 C ATOM 947 CD GLN A 61 -17.672 16.956 5.319 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.768 17.211 4.119 1.00 0.00 O ATOM 949 NE2 GLN A 61 -18.629 17.248 6.192 1.00 0.00 N ATOM 0 H GLN A 61 -13.839 18.200 7.203 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.166 15.483 6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.235 18.051 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.048 16.997 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.388 15.255 5.510 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.510 16.229 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -18.507 17.018 7.178 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -19.486 17.702 5.876 1.00 0.00 H new ATOM 958 N GLU A 62 -12.035 17.011 4.699 1.00 0.00 N ATOM 959 CA GLU A 62 -11.029 16.805 3.664 1.00 0.00 C ATOM 960 C GLU A 62 -9.980 15.775 4.090 1.00 0.00 C ATOM 961 O GLU A 62 -9.642 14.878 3.314 1.00 0.00 O ATOM 962 CB GLU A 62 -10.375 18.142 3.278 1.00 0.00 C ATOM 963 CG GLU A 62 -8.966 18.342 3.816 1.00 0.00 C ATOM 964 CD GLU A 62 -8.364 19.666 3.385 1.00 0.00 C ATOM 965 OE1 GLU A 62 -8.628 20.094 2.242 1.00 0.00 O ATOM 966 OE2 GLU A 62 -7.634 20.278 4.192 1.00 0.00 O ATOM 0 H GLU A 62 -12.022 17.939 5.123 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.531 16.402 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.348 18.216 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.005 18.956 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.985 18.292 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.329 17.527 3.471 1.00 0.00 H new ATOM 973 N ARG A 63 -9.462 15.895 5.314 1.00 0.00 N ATOM 974 CA ARG A 63 -8.452 14.945 5.784 1.00 0.00 C ATOM 975 C ARG A 63 -9.041 13.548 5.899 1.00 0.00 C ATOM 976 O ARG A 63 -8.478 12.586 5.405 1.00 0.00 O ATOM 977 CB ARG A 63 -7.878 15.360 7.150 1.00 0.00 C ATOM 978 CG ARG A 63 -8.857 16.093 8.052 1.00 0.00 C ATOM 979 CD ARG A 63 -8.396 16.081 9.500 1.00 0.00 C ATOM 980 NE ARG A 63 -7.203 16.899 9.709 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.294 16.656 10.653 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.443 15.632 11.485 1.00 0.00 N ATOM 983 NH2 ARG A 63 -5.234 17.444 10.769 1.00 0.00 N ATOM 0 H ARG A 63 -9.717 16.621 5.983 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.647 14.945 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.526 14.468 7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.009 15.997 6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.965 17.123 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.840 15.628 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.201 16.446 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.188 15.055 9.804 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.058 17.702 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.258 15.024 11.405 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.742 15.453 12.204 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.115 18.235 10.136 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.538 17.259 11.491 1.00 0.00 H new ATOM 997 N ASP A 64 -10.163 13.459 6.585 1.00 0.00 N ATOM 998 CA ASP A 64 -10.843 12.191 6.822 1.00 0.00 C ATOM 999 C ASP A 64 -11.336 11.517 5.541 1.00 0.00 C ATOM 1000 O ASP A 64 -11.361 10.285 5.460 1.00 0.00 O ATOM 1001 CB ASP A 64 -12.008 12.386 7.793 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.587 12.229 9.241 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.415 11.076 9.688 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.429 13.260 9.929 1.00 0.00 O ATOM 0 H ASP A 64 -10.634 14.264 6.997 1.00 0.00 H new ATOM 0 HA ASP A 64 -10.101 11.523 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.436 13.378 7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.792 11.664 7.565 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.705 12.300 4.530 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.169 11.714 3.277 1.00 0.00 C ATOM 1011 C LYS A 65 -10.999 11.160 2.488 1.00 0.00 C ATOM 1012 O LYS A 65 -11.019 10.011 2.048 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.934 12.737 2.435 1.00 0.00 C ATOM 1014 CG LYS A 65 -14.436 12.503 2.421 1.00 0.00 C ATOM 1015 CD LYS A 65 -15.209 13.790 2.671 1.00 0.00 C ATOM 1016 CE LYS A 65 -16.249 14.037 1.589 1.00 0.00 C ATOM 1017 NZ LYS A 65 -17.571 13.451 1.943 1.00 0.00 N ATOM 0 H LYS A 65 -11.693 13.320 4.552 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.851 10.899 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.733 13.737 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.559 12.708 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.730 12.083 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.697 11.768 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.700 13.738 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.516 14.630 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.359 15.110 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.903 13.609 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.251 13.642 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.472 12.424 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.914 13.878 2.827 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.968 11.974 2.331 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.782 11.547 1.615 1.00 0.00 C ATOM 1033 C ALA A 66 -8.084 10.444 2.392 1.00 0.00 C ATOM 1034 O ALA A 66 -7.580 9.481 1.815 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.844 12.723 1.390 1.00 0.00 C ATOM 0 H ALA A 66 -9.930 12.929 2.688 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.076 11.158 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.959 12.385 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.354 13.489 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.546 13.140 2.352 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.050 10.602 3.713 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.406 9.635 4.583 1.00 0.00 C ATOM 1043 C LEU A 67 -8.056 8.266 4.473 1.00 0.00 C ATOM 1044 O LEU A 67 -7.356 7.254 4.464 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.432 10.108 6.037 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.171 10.843 6.494 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.988 9.893 6.500 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.887 12.039 5.597 1.00 0.00 C ATOM 0 H LEU A 67 -8.464 11.396 4.201 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.369 9.548 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.290 10.766 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.586 9.244 6.683 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.334 11.211 7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.095 10.426 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.188 9.067 7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.830 9.502 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.986 12.546 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.743 11.699 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.729 12.730 5.635 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.387 8.211 4.387 1.00 0.00 N ATOM 1061 CA GLN A 68 -10.058 6.926 4.276 1.00 0.00 C ATOM 1062 C GLN A 68 -9.905 6.362 2.872 1.00 0.00 C ATOM 1063 O GLN A 68 -9.804 5.148 2.686 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.541 7.057 4.636 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.338 7.919 3.666 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.828 7.650 3.741 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -14.329 6.695 3.146 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.546 8.492 4.475 1.00 0.00 N ATOM 0 H GLN A 68 -10.004 9.023 4.392 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.591 6.237 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.985 6.062 4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.626 7.480 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.151 8.971 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.989 7.734 2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.090 9.270 4.951 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.554 8.361 4.563 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.879 7.247 1.885 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.730 6.828 0.505 1.00 0.00 C ATOM 1079 C GLU A 69 -8.325 6.305 0.257 1.00 0.00 C ATOM 1080 O GLU A 69 -8.138 5.322 -0.460 1.00 0.00 O ATOM 1081 CB GLU A 69 -10.045 7.984 -0.448 1.00 0.00 C ATOM 1082 CG GLU A 69 -11.308 7.769 -1.266 1.00 0.00 C ATOM 1083 CD GLU A 69 -12.501 8.516 -0.704 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -12.477 9.764 -0.713 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -13.461 7.853 -0.257 1.00 0.00 O ATOM 0 H GLU A 69 -9.959 8.255 2.017 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.439 6.023 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.148 8.903 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.203 8.126 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.132 8.093 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.536 6.704 -1.303 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.336 6.955 0.862 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.961 6.519 0.696 1.00 0.00 C ATOM 1094 C LEU A 70 -5.761 5.189 1.399 1.00 0.00 C ATOM 1095 O LEU A 70 -5.222 4.244 0.820 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.994 7.565 1.259 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.370 8.499 0.222 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.753 9.712 0.902 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.325 7.760 -0.599 1.00 0.00 C ATOM 0 H LEU A 70 -7.460 7.771 1.461 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.754 6.399 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.525 8.168 1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.193 7.049 1.788 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.156 8.843 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.313 10.367 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.525 10.254 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.979 9.385 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.891 8.440 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.541 7.388 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.793 6.921 -1.114 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.183 5.119 2.657 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.031 3.897 3.431 1.00 0.00 C ATOM 1113 C ARG A 71 -6.679 2.717 2.717 1.00 0.00 C ATOM 1114 O ARG A 71 -6.136 1.615 2.728 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.596 4.057 4.846 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.113 4.132 4.914 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.679 3.173 5.948 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.987 2.655 5.552 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.770 1.931 6.349 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.383 1.638 7.583 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.945 1.500 5.910 1.00 0.00 N ATOM 0 H ARG A 71 -6.629 5.888 3.157 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.964 3.695 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.259 3.219 5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.180 4.961 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.416 5.150 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.533 3.900 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.987 2.343 6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.766 3.683 6.907 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.319 2.860 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.481 1.968 7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.987 1.083 8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.248 1.723 4.962 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.545 0.945 6.520 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.829 2.943 2.082 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.506 1.874 1.363 1.00 0.00 C ATOM 1137 C GLN A 72 -7.695 1.462 0.142 1.00 0.00 C ATOM 1138 O GLN A 72 -7.540 0.276 -0.143 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.906 2.322 0.936 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.873 1.171 0.714 1.00 0.00 C ATOM 1141 CD GLN A 72 -12.252 1.453 1.278 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -13.025 2.221 0.706 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -12.568 0.828 2.407 1.00 0.00 N ATOM 0 H GLN A 72 -8.303 3.846 2.053 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.600 1.016 2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.314 2.986 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.828 2.902 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.955 0.971 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.472 0.270 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.896 0.200 2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.483 0.977 2.833 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.171 2.455 -0.572 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.367 2.198 -1.760 1.00 0.00 C ATOM 1154 C GLU A 73 -5.154 1.341 -1.414 1.00 0.00 C ATOM 1155 O GLU A 73 -4.877 0.349 -2.082 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.913 3.517 -2.390 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.960 3.514 -3.909 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.369 3.666 -4.448 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.222 2.812 -4.127 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.618 4.638 -5.191 1.00 0.00 O ATOM 0 H GLU A 73 -7.289 3.443 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.982 1.656 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.544 4.324 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.895 3.733 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.340 4.325 -4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.531 2.583 -4.280 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.453 1.722 -0.351 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.287 0.967 0.094 1.00 0.00 C ATOM 1169 C LEU A 74 -3.723 -0.398 0.618 1.00 0.00 C ATOM 1170 O LEU A 74 -3.118 -1.423 0.309 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.537 1.735 1.185 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.095 3.148 0.794 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.303 4.113 1.951 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.638 3.148 0.355 1.00 0.00 C ATOM 0 H LEU A 74 -4.670 2.543 0.215 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.616 0.826 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.175 1.801 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.656 1.161 1.472 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.708 3.480 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.983 5.112 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.359 4.135 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.716 3.784 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.341 4.160 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.011 2.795 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.517 2.489 -0.505 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.772 -0.386 1.436 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.294 -1.609 2.039 1.00 0.00 C ATOM 1188 C ASN A 75 -5.574 -2.668 0.979 1.00 0.00 C ATOM 1189 O ASN A 75 -5.221 -3.835 1.148 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.569 -1.312 2.830 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.901 -2.404 3.827 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.620 -3.580 3.596 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -7.501 -2.016 4.945 1.00 0.00 N ATOM 0 H ASN A 75 -5.279 0.460 1.697 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.535 -1.997 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.453 -0.365 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.402 -1.191 2.138 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.749 -2.704 5.656 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.715 -1.030 5.093 1.00 0.00 H new ATOM 1200 N THR A 76 -6.196 -2.256 -0.116 1.00 0.00 N ATOM 1201 CA THR A 76 -6.500 -3.181 -1.200 1.00 0.00 C ATOM 1202 C THR A 76 -5.272 -3.393 -2.079 1.00 0.00 C ATOM 1203 O THR A 76 -4.897 -4.522 -2.371 1.00 0.00 O ATOM 1204 CB THR A 76 -7.662 -2.653 -2.044 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.655 -1.236 -2.085 1.00 0.00 O ATOM 1206 CG2 THR A 76 -9.019 -3.096 -1.539 1.00 0.00 C ATOM 0 H THR A 76 -6.498 -1.295 -0.278 1.00 0.00 H new ATOM 0 HA THR A 76 -6.789 -4.137 -0.763 1.00 0.00 H new ATOM 0 HB THR A 76 -7.509 -3.073 -3.038 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.058 -0.883 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.798 -2.687 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.074 -4.185 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.163 -2.736 -0.520 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.669 -2.292 -2.509 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.492 -2.333 -3.377 1.00 0.00 C ATOM 1216 C LEU A 77 -2.410 -3.274 -2.843 1.00 0.00 C ATOM 1217 O LEU A 77 -1.866 -4.090 -3.586 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.915 -0.925 -3.538 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.630 -0.044 -4.565 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.027 1.352 -4.584 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.564 -0.677 -5.950 1.00 0.00 C ATOM 0 H LEU A 77 -4.977 -1.350 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.815 -2.718 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.944 -0.424 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.866 -1.009 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.678 0.040 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.548 1.964 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.128 1.806 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.971 1.289 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.077 -0.037 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.522 -0.793 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.045 -1.655 -5.927 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.083 -3.136 -1.563 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.046 -3.954 -0.933 1.00 0.00 C ATOM 1235 C ALA A 78 -1.512 -5.383 -0.648 1.00 0.00 C ATOM 1236 O ALA A 78 -0.693 -6.294 -0.524 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.572 -3.293 0.352 1.00 0.00 C ATOM 0 H ALA A 78 -2.522 -2.462 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.220 -4.024 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.200 -3.908 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.163 -2.308 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.412 -3.188 1.038 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.820 -5.571 -0.510 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.377 -6.887 -0.198 1.00 0.00 C ATOM 1245 C ASN A 79 -2.873 -7.983 -1.146 1.00 0.00 C ATOM 1246 O ASN A 79 -2.434 -9.040 -0.691 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.907 -6.829 -0.243 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.537 -7.151 1.099 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.150 -8.111 1.766 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.515 -6.348 1.501 1.00 0.00 N ATOM 0 H ASN A 79 -3.515 -4.831 -0.609 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.039 -7.147 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.221 -5.834 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.273 -7.532 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.977 -6.515 2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.804 -5.564 0.916 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.936 -7.767 -2.473 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.492 -8.765 -3.453 1.00 0.00 C ATOM 1259 C PRO A 80 -0.983 -8.981 -3.451 1.00 0.00 C ATOM 1260 O PRO A 80 -0.503 -10.042 -3.857 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.941 -8.177 -4.792 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.021 -6.712 -4.552 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.463 -6.557 -3.124 1.00 0.00 C ATOM 0 HA PRO A 80 -2.911 -9.747 -3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.231 -8.410 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.906 -8.581 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.055 -6.235 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.729 -6.242 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.059 -5.650 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.548 -6.497 -3.043 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.227 -7.985 -2.995 1.00 0.00 N ATOM 1272 CA PHE A 81 1.228 -8.088 -2.952 1.00 0.00 C ATOM 1273 C PHE A 81 1.667 -9.102 -1.902 1.00 0.00 C ATOM 1274 O PHE A 81 2.420 -10.029 -2.192 1.00 0.00 O ATOM 1275 CB PHE A 81 1.810 -6.705 -2.624 1.00 0.00 C ATOM 1276 CG PHE A 81 3.303 -6.567 -2.791 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.132 -7.674 -2.898 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.877 -5.306 -2.827 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.495 -7.524 -3.037 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.242 -5.151 -2.970 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.052 -6.263 -3.074 1.00 0.00 C ATOM 0 H PHE A 81 -0.598 -7.099 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 81 1.594 -8.427 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.322 -5.966 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.554 -6.458 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.704 -8.665 -2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.248 -4.432 -2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.128 -8.395 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.674 -4.162 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.120 -6.146 -3.184 1.00 0.00 H new ATOM 1291 N LEU A 82 1.193 -8.916 -0.679 1.00 0.00 N ATOM 1292 CA LEU A 82 1.547 -9.806 0.419 1.00 0.00 C ATOM 1293 C LEU A 82 1.290 -11.265 0.060 1.00 0.00 C ATOM 1294 O LEU A 82 2.187 -12.101 0.169 1.00 0.00 O ATOM 1295 CB LEU A 82 0.770 -9.421 1.677 1.00 0.00 C ATOM 1296 CG LEU A 82 0.834 -7.935 2.038 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.076 -7.661 3.325 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.282 -7.480 2.159 1.00 0.00 C ATOM 0 H LEU A 82 0.562 -8.157 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 82 2.614 -9.697 0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.274 -9.704 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.153 -10.002 2.516 1.00 0.00 H new ATOM 0 HG LEU A 82 0.360 -7.366 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.135 -6.599 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.968 -7.948 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.517 -8.239 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.310 -6.421 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.781 -8.056 2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.793 -7.637 1.209 1.00 0.00 H new ATOM 1310 N ALA A 83 0.072 -11.574 -0.370 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.267 -12.940 -0.739 1.00 0.00 C ATOM 1312 C ALA A 83 0.545 -13.395 -1.944 1.00 0.00 C ATOM 1313 O ALA A 83 0.929 -14.560 -2.042 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.757 -13.060 -1.022 1.00 0.00 C ATOM 0 H ALA A 83 -0.690 -10.903 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.020 -13.590 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.994 -14.088 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.320 -12.784 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.026 -12.394 -1.842 1.00 0.00 H new ATOM 1320 N LYS A 84 0.812 -12.469 -2.855 1.00 0.00 N ATOM 1321 CA LYS A 84 1.591 -12.784 -4.043 1.00 0.00 C ATOM 1322 C LYS A 84 3.025 -13.135 -3.661 1.00 0.00 C ATOM 1323 O LYS A 84 3.632 -14.043 -4.236 1.00 0.00 O ATOM 1324 CB LYS A 84 1.582 -11.601 -5.015 1.00 0.00 C ATOM 1325 CG LYS A 84 2.380 -11.847 -6.285 1.00 0.00 C ATOM 1326 CD LYS A 84 1.471 -12.062 -7.485 1.00 0.00 C ATOM 1327 CE LYS A 84 2.235 -12.631 -8.670 1.00 0.00 C ATOM 1328 NZ LYS A 84 1.941 -11.888 -9.928 1.00 0.00 N ATOM 0 H LYS A 84 0.502 -11.499 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 84 1.138 -13.646 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.551 -11.371 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.983 -10.723 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.037 -10.998 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.019 -12.720 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.662 -12.740 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.011 -11.115 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.305 -12.590 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.975 -13.682 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.481 -12.306 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.924 -11.948 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.213 -10.891 -9.814 1.00 0.00 H new ATOM 1342 N TYR A 85 3.559 -12.420 -2.673 1.00 0.00 N ATOM 1343 CA TYR A 85 4.918 -12.672 -2.218 1.00 0.00 C ATOM 1344 C TYR A 85 4.989 -13.980 -1.434 1.00 0.00 C ATOM 1345 O TYR A 85 5.832 -14.832 -1.716 1.00 0.00 O ATOM 1346 CB TYR A 85 5.417 -11.511 -1.356 1.00 0.00 C ATOM 1347 CG TYR A 85 6.922 -11.407 -1.302 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.671 -11.319 -2.468 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.594 -11.403 -0.088 1.00 0.00 C ATOM 1350 CE1 TYR A 85 9.048 -11.227 -2.424 1.00 0.00 C ATOM 1351 CE2 TYR A 85 8.970 -11.313 -0.036 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.693 -11.224 -1.207 1.00 0.00 C ATOM 1353 OH TYR A 85 11.063 -11.136 -1.160 1.00 0.00 O ATOM 0 H TYR A 85 3.075 -11.670 -2.179 1.00 0.00 H new ATOM 0 HA TYR A 85 5.561 -12.758 -3.094 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.010 -10.578 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.032 -11.629 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.169 -11.323 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.031 -11.471 0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.617 -11.158 -3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.478 -11.312 0.917 1.00 0.00 H new ATOM 0 HH TYR A 85 11.447 -12.036 -1.100 1.00 0.00 H new ATOM 1363 N ARG A 86 4.120 -14.131 -0.434 1.00 0.00 N ATOM 1364 CA ARG A 86 4.130 -15.339 0.387 1.00 0.00 C ATOM 1365 C ARG A 86 4.020 -16.582 -0.494 1.00 0.00 C ATOM 1366 O ARG A 86 4.882 -17.465 -0.440 1.00 0.00 O ATOM 1367 CB ARG A 86 3.008 -15.304 1.434 1.00 0.00 C ATOM 1368 CG ARG A 86 1.611 -15.446 0.855 1.00 0.00 C ATOM 1369 CD ARG A 86 0.540 -15.182 1.903 1.00 0.00 C ATOM 1370 NE ARG A 86 0.742 -15.982 3.111 1.00 0.00 N ATOM 1371 CZ ARG A 86 1.414 -15.561 4.182 1.00 0.00 C ATOM 1372 NH1 ARG A 86 1.963 -14.352 4.204 1.00 0.00 N ATOM 1373 NH2 ARG A 86 1.540 -16.356 5.236 1.00 0.00 N ATOM 0 H ARG A 86 3.412 -13.444 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 86 5.079 -15.381 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.174 -16.105 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.068 -14.364 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.488 -14.750 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.485 -16.450 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.543 -14.124 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.441 -15.403 1.482 1.00 0.00 H new ATOM 0 HE ARG A 86 0.344 -16.921 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.872 -13.736 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.475 -14.039 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.123 -17.287 5.225 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.054 -16.037 6.057 1.00 0.00 H new ATOM 1387 N ASP A 87 2.977 -16.651 -1.318 1.00 0.00 N ATOM 1388 CA ASP A 87 2.800 -17.789 -2.209 1.00 0.00 C ATOM 1389 C ASP A 87 4.007 -17.929 -3.131 1.00 0.00 C ATOM 1390 O ASP A 87 4.457 -19.039 -3.414 1.00 0.00 O ATOM 1391 CB ASP A 87 1.521 -17.626 -3.035 1.00 0.00 C ATOM 1392 CG ASP A 87 0.694 -18.895 -3.076 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.082 -19.238 -2.043 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.659 -19.546 -4.141 1.00 0.00 O ATOM 0 H ASP A 87 2.250 -15.939 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 87 2.712 -18.692 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.921 -16.818 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.783 -17.333 -4.052 1.00 0.00 H new ATOM 1399 N PHE A 88 4.532 -16.795 -3.591 1.00 0.00 N ATOM 1400 CA PHE A 88 5.691 -16.798 -4.475 1.00 0.00 C ATOM 1401 C PHE A 88 6.877 -17.485 -3.805 1.00 0.00 C ATOM 1402 O PHE A 88 7.587 -18.268 -4.429 1.00 0.00 O ATOM 1403 CB PHE A 88 6.082 -15.362 -4.858 1.00 0.00 C ATOM 1404 CG PHE A 88 7.438 -15.261 -5.507 1.00 0.00 C ATOM 1405 CD1 PHE A 88 7.578 -15.441 -6.871 1.00 0.00 C ATOM 1406 CD2 PHE A 88 8.573 -15.004 -4.749 1.00 0.00 C ATOM 1407 CE1 PHE A 88 8.820 -15.364 -7.471 1.00 0.00 C ATOM 1408 CE2 PHE A 88 9.817 -14.929 -5.343 1.00 0.00 C ATOM 1409 CZ PHE A 88 9.941 -15.109 -6.706 1.00 0.00 C ATOM 0 H PHE A 88 4.173 -15.867 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 88 5.423 -17.349 -5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.332 -14.959 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.069 -14.739 -3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.706 -15.644 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.481 -14.861 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.914 -15.503 -8.538 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.692 -14.730 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.913 -15.051 -7.173 1.00 0.00 H new ATOM 1419 N LEU A 89 7.091 -17.172 -2.536 1.00 0.00 N ATOM 1420 CA LEU A 89 8.201 -17.739 -1.784 1.00 0.00 C ATOM 1421 C LEU A 89 8.072 -19.253 -1.611 1.00 0.00 C ATOM 1422 O LEU A 89 9.019 -19.993 -1.877 1.00 0.00 O ATOM 1423 CB LEU A 89 8.305 -17.065 -0.413 1.00 0.00 C ATOM 1424 CG LEU A 89 9.452 -16.063 -0.267 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.794 -16.776 -0.327 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.365 -14.995 -1.348 1.00 0.00 C ATOM 0 H LEU A 89 6.508 -16.526 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 89 9.109 -17.552 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.366 -16.551 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.420 -17.838 0.347 1.00 0.00 H new ATOM 0 HG LEU A 89 9.365 -15.578 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.598 -16.048 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.856 -17.504 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.892 -17.288 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.188 -14.290 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.427 -15.465 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.417 -14.464 -1.260 1.00 0.00 H new ATOM 1438 N LYS A 90 6.909 -19.715 -1.157 1.00 0.00 N ATOM 1439 CA LYS A 90 6.683 -21.145 -0.942 1.00 0.00 C ATOM 1440 C LYS A 90 6.549 -21.941 -2.247 1.00 0.00 C ATOM 1441 O LYS A 90 7.031 -23.069 -2.345 1.00 0.00 O ATOM 1442 CB LYS A 90 5.431 -21.348 -0.083 1.00 0.00 C ATOM 1443 CG LYS A 90 5.668 -22.215 1.145 1.00 0.00 C ATOM 1444 CD LYS A 90 5.614 -21.398 2.427 1.00 0.00 C ATOM 1445 CE LYS A 90 4.200 -20.924 2.727 1.00 0.00 C ATOM 1446 NZ LYS A 90 3.320 -22.040 3.170 1.00 0.00 N ATOM 0 H LYS A 90 6.110 -19.123 -0.931 1.00 0.00 H new ATOM 0 HA LYS A 90 7.565 -21.528 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.058 -20.375 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.651 -21.803 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.917 -23.004 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.639 -22.703 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.981 -21.999 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.277 -20.537 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.231 -20.158 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.776 -20.460 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.422 -21.654 3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.132 -22.674 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.791 -22.573 3.929 1.00 0.00 H new ATOM 1460 N SER A 91 5.854 -21.366 -3.224 1.00 0.00 N ATOM 1461 CA SER A 91 5.611 -22.042 -4.502 1.00 0.00 C ATOM 1462 C SER A 91 6.841 -22.079 -5.411 1.00 0.00 C ATOM 1463 O SER A 91 7.341 -23.153 -5.742 1.00 0.00 O ATOM 1464 CB SER A 91 4.451 -21.367 -5.235 1.00 0.00 C ATOM 1465 OG SER A 91 3.682 -22.315 -5.955 1.00 0.00 O ATOM 0 H SER A 91 5.447 -20.433 -3.159 1.00 0.00 H new ATOM 0 HA SER A 91 5.362 -23.076 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.816 -20.848 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.839 -20.613 -5.920 1.00 0.00 H new ATOM 0 HG SER A 91 2.946 -21.859 -6.413 1.00 0.00 H new ATOM 1471 N HIS A 92 7.284 -20.906 -5.856 1.00 0.00 N ATOM 1472 CA HIS A 92 8.421 -20.786 -6.781 1.00 0.00 C ATOM 1473 C HIS A 92 9.629 -21.671 -6.425 1.00 0.00 C ATOM 1474 O HIS A 92 10.576 -21.728 -7.206 1.00 0.00 O ATOM 1475 CB HIS A 92 8.859 -19.327 -6.896 1.00 0.00 C ATOM 1476 CG HIS A 92 7.939 -18.508 -7.746 1.00 0.00 C ATOM 1477 ND1 HIS A 92 8.361 -17.801 -8.852 1.00 0.00 N ATOM 1478 CD2 HIS A 92 6.602 -18.304 -7.661 1.00 0.00 C ATOM 1479 CE1 HIS A 92 7.325 -17.199 -9.410 1.00 0.00 C ATOM 1480 NE2 HIS A 92 6.246 -17.490 -8.706 1.00 0.00 N ATOM 0 H HIS A 92 6.871 -20.012 -5.590 1.00 0.00 H new ATOM 0 HA HIS A 92 8.056 -21.151 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 92 8.911 -18.889 -5.899 1.00 0.00 H new ATOM 0 HB3 HIS A 92 9.865 -19.287 -7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.939 -18.708 -6.910 1.00 0.00 H new ATOM 0 HE1 HIS A 92 7.356 -16.575 -10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.301 -17.162 -8.907 1.00 0.00 H new ATOM 1489 N GLU A 93 9.578 -22.368 -5.278 1.00 0.00 N ATOM 1490 CA GLU A 93 10.647 -23.281 -4.825 1.00 0.00 C ATOM 1491 C GLU A 93 11.124 -22.916 -3.415 1.00 0.00 C ATOM 1492 O GLU A 93 10.367 -23.046 -2.453 1.00 0.00 O ATOM 1493 CB GLU A 93 11.835 -23.343 -5.801 1.00 0.00 C ATOM 1494 CG GLU A 93 11.541 -24.124 -7.075 1.00 0.00 C ATOM 1495 CD GLU A 93 12.283 -23.578 -8.279 1.00 0.00 C ATOM 1496 OE1 GLU A 93 13.496 -23.305 -8.154 1.00 0.00 O ATOM 1497 OE2 GLU A 93 11.653 -23.424 -9.345 1.00 0.00 O ATOM 0 H GLU A 93 8.790 -22.315 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 93 10.208 -24.278 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.128 -22.328 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.686 -23.798 -5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.815 -25.169 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.469 -24.100 -7.272 1.00 0.00 H new ATOM 1504 N LEU A 94 12.374 -22.470 -3.286 1.00 0.00 N ATOM 1505 CA LEU A 94 12.916 -22.107 -1.981 1.00 0.00 C ATOM 1506 C LEU A 94 12.450 -20.717 -1.562 1.00 0.00 C ATOM 1507 O LEU A 94 13.035 -20.159 -0.611 1.00 0.00 O ATOM 1508 CB LEU A 94 14.451 -22.165 -1.998 1.00 0.00 C ATOM 1509 CG LEU A 94 15.115 -21.757 -3.319 1.00 0.00 C ATOM 1510 CD1 LEU A 94 16.354 -20.916 -3.059 1.00 0.00 C ATOM 1511 CD2 LEU A 94 15.469 -22.989 -4.138 1.00 0.00 C ATOM 1512 OXT LEU A 94 11.504 -20.197 -2.191 1.00 0.00 O ATOM 0 H LEU A 94 13.024 -22.353 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 94 12.544 -22.828 -1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.830 -21.518 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.761 -23.181 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 94 14.407 -21.155 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.810 -20.637 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.074 -20.015 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.067 -21.492 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 94 15.939 -22.682 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.159 -23.616 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 94 14.563 -23.553 -4.356 1.00 0.00 H new TER 1524 LEU A 94