USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 634 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 56 TYR OH : rot -140:sc= -6.67! USER MOD Set 1.2: A 66 LYS NZ :NH3+ -123:sc= -1.24 (180deg=-4.79!) USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 48 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.824 USER MOD Single : A 7 ASN : amide:sc= -14.2! C(o=-14!,f=-12!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -14:sc= 0.635! USER MOD Single : A 12 SER OG : rot 180:sc= -0.0606 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 60:sc= -1.2! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -1.27 (180deg=-2.43!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -154:sc= -1.3! USER MOD Single : A 28 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.034) USER MOD Single : A 30 ASN : amide:sc= -13.6! C(o=-14!,f=-17!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.976 X(o=-0.98,f=-0.9!) USER MOD Single : A 43 TYR OH : rot -145:sc= -2.9! USER MOD Single : A 44 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= -0.989! (180deg=-1.47!) USER MOD Single : A 51 THR OG1 : rot 138:sc= -4.12! USER MOD Single : A 55 SER OG : rot 142:sc= -0.827 USER MOD Single : A 58 ASN : amide:sc= -0.691 K(o=-0.69,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 63 ASN : amide:sc= -0.595 X(o=-0.59,f=-0.45) USER MOD Single : A 64 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 13:sc= -1.87! USER MOD Single : A 69 THR OG1 : rot 80:sc= -2.05 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 168:sc= -0.0631 (180deg=-0.382) USER MOD Single : A 78 ASN : amide:sc= -1.01! X(o=-1!,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.874 USER MOD Single : A 84 THR OG1 : rot 40:sc= -2.7! USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.641 17.075 -6.833 1.00 0.00 N ATOM 38 CA ASP A 3 -7.609 15.985 -6.873 1.00 0.00 C ATOM 39 C ASP A 3 -6.906 14.635 -6.993 1.00 0.00 C ATOM 40 O ASP A 3 -6.992 13.966 -8.021 1.00 0.00 O ATOM 41 CB ASP A 3 -8.575 16.177 -8.039 1.00 0.00 C ATOM 42 CG ASP A 3 -10.009 16.351 -7.578 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.215 16.795 -6.428 1.00 0.00 O ATOM 44 OD2 ASP A 3 -10.927 16.041 -8.364 1.00 0.00 O ATOM 0 HA ASP A 3 -8.172 15.998 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.273 17.050 -8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.512 15.316 -8.705 1.00 0.00 H new ATOM 49 N PRO A 4 -6.187 14.223 -5.938 1.00 0.00 N ATOM 50 CA PRO A 4 -5.456 12.950 -5.918 1.00 0.00 C ATOM 51 C PRO A 4 -6.395 11.752 -5.930 1.00 0.00 C ATOM 52 O PRO A 4 -7.269 11.632 -5.072 1.00 0.00 O ATOM 53 CB PRO A 4 -4.680 12.993 -4.593 1.00 0.00 C ATOM 54 CG PRO A 4 -4.732 14.415 -4.147 1.00 0.00 C ATOM 55 CD PRO A 4 -6.023 14.963 -4.679 1.00 0.00 C ATOM 0 HA PRO A 4 -4.820 12.837 -6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.131 12.333 -3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.651 12.662 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.696 14.485 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.881 14.977 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.852 14.787 -3.994 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.970 16.039 -4.845 1.00 0.00 H new ATOM 63 N THR A 5 -6.212 10.859 -6.899 1.00 0.00 N ATOM 64 CA THR A 5 -7.060 9.675 -6.986 1.00 0.00 C ATOM 65 C THR A 5 -6.236 8.399 -6.857 1.00 0.00 C ATOM 66 O THR A 5 -5.117 8.314 -7.365 1.00 0.00 O ATOM 67 CB THR A 5 -7.850 9.669 -8.297 1.00 0.00 C ATOM 68 OG1 THR A 5 -7.762 10.928 -8.940 1.00 0.00 O ATOM 69 CG2 THR A 5 -9.316 9.347 -8.110 1.00 0.00 C ATOM 0 H THR A 5 -5.497 10.930 -7.623 1.00 0.00 H new ATOM 0 HA THR A 5 -7.766 9.709 -6.156 1.00 0.00 H new ATOM 0 HB THR A 5 -7.399 8.884 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.272 10.904 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.818 9.359 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.417 8.359 -7.661 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.771 10.091 -7.456 1.00 0.00 H new ATOM 77 N ILE A 6 -6.795 7.409 -6.167 1.00 0.00 N ATOM 78 CA ILE A 6 -6.113 6.135 -5.962 1.00 0.00 C ATOM 79 C ILE A 6 -7.101 4.979 -5.948 1.00 0.00 C ATOM 80 O ILE A 6 -8.293 5.171 -5.715 1.00 0.00 O ATOM 81 CB ILE A 6 -5.330 6.127 -4.637 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.512 4.840 -4.506 1.00 0.00 C ATOM 83 CG2 ILE A 6 -6.283 6.274 -3.461 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.537 4.627 -5.639 1.00 0.00 C ATOM 0 H ILE A 6 -7.720 7.465 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.420 6.012 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.642 6.973 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.963 4.862 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.192 3.990 -4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.716 6.267 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.826 7.215 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.991 5.445 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.992 3.696 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.081 4.572 -6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.833 5.458 -5.674 1.00 0.00 H new ATOM 96 N ASN A 7 -6.601 3.774 -6.208 1.00 0.00 N ATOM 97 CA ASN A 7 -7.457 2.595 -6.229 1.00 0.00 C ATOM 98 C ASN A 7 -8.005 2.250 -4.871 1.00 0.00 C ATOM 99 O ASN A 7 -9.144 2.612 -4.576 1.00 0.00 O ATOM 100 CB ASN A 7 -6.798 1.385 -6.913 1.00 0.00 C ATOM 101 CG ASN A 7 -5.352 1.611 -7.339 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.987 1.323 -8.478 1.00 0.00 O ATOM 103 ND2 ASN A 7 -4.515 2.126 -6.437 1.00 0.00 N ATOM 0 H ASN A 7 -5.617 3.590 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.312 2.866 -6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.834 0.534 -6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.385 1.116 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.539 2.292 -6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.851 2.354 -5.501 1.00 0.00 H new ATOM 110 N PRO A 8 -7.291 1.527 -4.026 1.00 0.00 N ATOM 111 CA PRO A 8 -7.837 1.156 -2.767 1.00 0.00 C ATOM 112 C PRO A 8 -7.253 1.939 -1.600 1.00 0.00 C ATOM 113 O PRO A 8 -6.404 2.813 -1.780 1.00 0.00 O ATOM 114 CB PRO A 8 -7.415 -0.285 -2.715 1.00 0.00 C ATOM 115 CG PRO A 8 -6.053 -0.307 -3.348 1.00 0.00 C ATOM 116 CD PRO A 8 -5.953 0.942 -4.187 1.00 0.00 C ATOM 0 HA PRO A 8 -8.907 1.343 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.381 -0.651 -1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.114 -0.922 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.272 -0.328 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.924 -1.198 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.170 1.611 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.729 0.716 -5.230 1.00 0.00 H new ATOM 124 N THR A 9 -7.713 1.613 -0.398 1.00 0.00 N ATOM 125 CA THR A 9 -7.241 2.276 0.802 1.00 0.00 C ATOM 126 C THR A 9 -7.082 1.284 1.956 1.00 0.00 C ATOM 127 O THR A 9 -6.722 1.672 3.068 1.00 0.00 O ATOM 128 CB THR A 9 -8.210 3.390 1.203 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.214 4.422 0.233 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.886 4.019 2.540 1.00 0.00 C ATOM 0 H THR A 9 -8.414 0.891 -0.233 1.00 0.00 H new ATOM 0 HA THR A 9 -6.264 2.708 0.586 1.00 0.00 H new ATOM 0 HB THR A 9 -9.186 2.909 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.840 5.125 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.613 4.800 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.924 3.258 3.319 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.887 4.453 2.505 1.00 0.00 H new ATOM 138 N SER A 10 -7.347 0.005 1.699 1.00 0.00 N ATOM 139 CA SER A 10 -7.226 -1.003 2.744 1.00 0.00 C ATOM 140 C SER A 10 -7.315 -2.421 2.186 1.00 0.00 C ATOM 141 O SER A 10 -8.307 -2.795 1.560 1.00 0.00 O ATOM 142 CB SER A 10 -8.307 -0.795 3.804 1.00 0.00 C ATOM 143 OG SER A 10 -9.480 -1.527 3.486 1.00 0.00 O ATOM 0 H SER A 10 -7.642 -0.352 0.790 1.00 0.00 H new ATOM 0 HA SER A 10 -6.241 -0.886 3.196 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.931 -1.109 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.546 0.266 3.881 1.00 0.00 H new ATOM 0 HG SER A 10 -9.433 -1.833 2.556 1.00 0.00 H new ATOM 149 N ILE A 11 -6.273 -3.205 2.439 1.00 0.00 N ATOM 150 CA ILE A 11 -6.214 -4.587 1.994 1.00 0.00 C ATOM 151 C ILE A 11 -5.798 -5.491 3.150 1.00 0.00 C ATOM 152 O ILE A 11 -5.396 -5.003 4.207 1.00 0.00 O ATOM 153 CB ILE A 11 -5.222 -4.765 0.831 1.00 0.00 C ATOM 154 CG1 ILE A 11 -3.798 -4.450 1.294 1.00 0.00 C ATOM 155 CG2 ILE A 11 -5.612 -3.876 -0.336 1.00 0.00 C ATOM 156 CD1 ILE A 11 -3.073 -5.651 1.864 1.00 0.00 C ATOM 0 H ILE A 11 -5.449 -2.899 2.957 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.209 -4.862 1.644 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.255 -5.803 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.228 -4.057 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.834 -3.665 2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.901 -4.013 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.612 -4.143 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.603 -2.833 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.070 -5.358 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.621 -6.032 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.006 -6.430 1.104 1.00 0.00 H new ATOM 168 N SER A 12 -5.898 -6.800 2.959 1.00 0.00 N ATOM 169 CA SER A 12 -5.528 -7.742 4.011 1.00 0.00 C ATOM 170 C SER A 12 -5.116 -9.094 3.440 1.00 0.00 C ATOM 171 O SER A 12 -5.750 -9.618 2.524 1.00 0.00 O ATOM 172 CB SER A 12 -6.689 -7.929 4.985 1.00 0.00 C ATOM 173 OG SER A 12 -7.800 -7.131 4.617 1.00 0.00 O ATOM 0 H SER A 12 -6.228 -7.232 2.096 1.00 0.00 H new ATOM 0 HA SER A 12 -4.671 -7.322 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.983 -8.978 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.367 -7.667 5.993 1.00 0.00 H new ATOM 0 HG SER A 12 -8.529 -7.271 5.256 1.00 0.00 H new ATOM 179 N ALA A 13 -4.048 -9.654 4.001 1.00 0.00 N ATOM 180 CA ALA A 13 -3.542 -10.950 3.569 1.00 0.00 C ATOM 181 C ALA A 13 -2.464 -11.456 4.523 1.00 0.00 C ATOM 182 O ALA A 13 -1.693 -10.670 5.075 1.00 0.00 O ATOM 183 CB ALA A 13 -2.993 -10.858 2.151 1.00 0.00 C ATOM 0 H ALA A 13 -3.515 -9.227 4.759 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.369 -11.660 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.618 -11.834 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.786 -10.542 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.181 -10.132 2.122 1.00 0.00 H new ATOM 189 N LYS A 14 -2.405 -12.772 4.712 1.00 0.00 N ATOM 190 CA LYS A 14 -1.403 -13.361 5.588 1.00 0.00 C ATOM 191 C LYS A 14 -0.033 -13.240 4.946 1.00 0.00 C ATOM 192 O LYS A 14 0.103 -13.402 3.733 1.00 0.00 O ATOM 193 CB LYS A 14 -1.732 -14.830 5.872 1.00 0.00 C ATOM 194 CG LYS A 14 -0.593 -15.596 6.526 1.00 0.00 C ATOM 195 CD LYS A 14 0.298 -16.251 5.490 1.00 0.00 C ATOM 196 CE LYS A 14 -0.216 -17.624 5.091 1.00 0.00 C ATOM 197 NZ LYS A 14 0.631 -18.719 5.639 1.00 0.00 N ATOM 0 H LYS A 14 -3.035 -13.444 4.273 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.402 -12.825 6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.609 -14.878 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.998 -15.321 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.001 -14.917 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.999 -16.357 7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.358 -15.614 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.309 -16.342 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.239 -17.745 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.245 -17.698 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.245 -19.638 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.602 -18.620 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.639 -18.665 6.678 1.00 0.00 H new ATOM 211 N ALA A 15 0.983 -12.938 5.741 1.00 0.00 N ATOM 212 CA ALA A 15 2.320 -12.791 5.194 1.00 0.00 C ATOM 213 C ALA A 15 2.705 -14.019 4.399 1.00 0.00 C ATOM 214 O ALA A 15 3.001 -15.082 4.943 1.00 0.00 O ATOM 215 CB ALA A 15 3.344 -12.484 6.279 1.00 0.00 C ATOM 0 H ALA A 15 0.909 -12.793 6.748 1.00 0.00 H new ATOM 0 HA ALA A 15 2.313 -11.937 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.331 -12.381 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.075 -11.554 6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.359 -13.296 7.005 1.00 0.00 H new ATOM 221 N GLY A 16 2.648 -13.846 3.096 1.00 0.00 N ATOM 222 CA GLY A 16 2.935 -14.909 2.169 1.00 0.00 C ATOM 223 C GLY A 16 1.851 -14.970 1.127 1.00 0.00 C ATOM 224 O GLY A 16 2.116 -15.071 -0.065 1.00 0.00 O ATOM 0 H GLY A 16 2.400 -12.961 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.902 -14.741 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.000 -15.860 2.698 1.00 0.00 H new ATOM 228 N SER A 17 0.615 -14.827 1.585 1.00 0.00 N ATOM 229 CA SER A 17 -0.525 -14.810 0.706 1.00 0.00 C ATOM 230 C SER A 17 -0.639 -13.432 0.078 1.00 0.00 C ATOM 231 O SER A 17 -1.708 -13.002 -0.349 1.00 0.00 O ATOM 232 CB SER A 17 -1.771 -15.114 1.519 1.00 0.00 C ATOM 233 OG SER A 17 -1.533 -14.949 2.908 1.00 0.00 O ATOM 0 H SER A 17 0.385 -14.721 2.573 1.00 0.00 H new ATOM 0 HA SER A 17 -0.414 -15.557 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.582 -14.456 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.096 -16.136 1.322 1.00 0.00 H new ATOM 0 HG SER A 17 -1.254 -14.026 3.085 1.00 0.00 H new ATOM 239 N PHE A 18 0.479 -12.734 0.069 1.00 0.00 N ATOM 240 CA PHE A 18 0.540 -11.389 -0.441 1.00 0.00 C ATOM 241 C PHE A 18 1.031 -11.344 -1.874 1.00 0.00 C ATOM 242 O PHE A 18 2.174 -10.983 -2.140 1.00 0.00 O ATOM 243 CB PHE A 18 1.462 -10.587 0.440 1.00 0.00 C ATOM 244 CG PHE A 18 0.763 -9.909 1.583 1.00 0.00 C ATOM 245 CD1 PHE A 18 -0.451 -9.277 1.395 1.00 0.00 C ATOM 246 CD2 PHE A 18 1.327 -9.909 2.848 1.00 0.00 C ATOM 247 CE1 PHE A 18 -1.092 -8.657 2.451 1.00 0.00 C ATOM 248 CE2 PHE A 18 0.690 -9.292 3.904 1.00 0.00 C ATOM 249 CZ PHE A 18 -0.519 -8.666 3.707 1.00 0.00 C ATOM 0 H PHE A 18 1.370 -13.089 0.417 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.466 -10.970 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.235 -11.245 0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.965 -9.833 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.903 -9.267 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.276 -10.398 3.009 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.041 -8.166 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.140 -9.300 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.019 -8.183 4.533 1.00 0.00 H new ATOM 259 N ALA A 19 0.151 -11.694 -2.787 1.00 0.00 N ATOM 260 CA ALA A 19 0.485 -11.675 -4.203 1.00 0.00 C ATOM 261 C ALA A 19 0.651 -10.235 -4.686 1.00 0.00 C ATOM 262 O ALA A 19 -0.067 -9.343 -4.239 1.00 0.00 O ATOM 263 CB ALA A 19 -0.581 -12.387 -5.014 1.00 0.00 C ATOM 0 H ALA A 19 -0.801 -11.995 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 19 1.429 -12.202 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.312 -12.362 -6.070 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.658 -13.423 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.540 -11.889 -4.872 1.00 0.00 H new ATOM 269 N ASP A 20 1.608 -10.014 -5.586 1.00 0.00 N ATOM 270 CA ASP A 20 1.873 -8.674 -6.117 1.00 0.00 C ATOM 271 C ASP A 20 0.584 -7.870 -6.249 1.00 0.00 C ATOM 272 O ASP A 20 -0.419 -8.377 -6.739 1.00 0.00 O ATOM 273 CB ASP A 20 2.568 -8.771 -7.476 1.00 0.00 C ATOM 274 CG ASP A 20 2.788 -7.411 -8.112 1.00 0.00 C ATOM 275 OD1 ASP A 20 1.792 -6.776 -8.512 1.00 0.00 O ATOM 276 OD2 ASP A 20 3.957 -6.985 -8.209 1.00 0.00 O ATOM 0 H ASP A 20 2.213 -10.743 -5.964 1.00 0.00 H new ATOM 0 HA ASP A 20 2.528 -8.158 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.528 -9.272 -7.355 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.968 -9.389 -8.144 1.00 0.00 H new ATOM 281 N THR A 21 0.615 -6.616 -5.800 1.00 0.00 N ATOM 282 CA THR A 21 -0.565 -5.766 -5.866 1.00 0.00 C ATOM 283 C THR A 21 -0.270 -4.449 -6.573 1.00 0.00 C ATOM 284 O THR A 21 0.326 -3.546 -5.996 1.00 0.00 O ATOM 285 CB THR A 21 -1.100 -5.492 -4.459 1.00 0.00 C ATOM 286 OG1 THR A 21 -1.116 -6.681 -3.689 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.499 -4.917 -4.450 1.00 0.00 C ATOM 0 H THR A 21 1.437 -6.173 -5.391 1.00 0.00 H new ATOM 0 HA THR A 21 -1.321 -6.297 -6.445 1.00 0.00 H new ATOM 0 HB THR A 21 -0.422 -4.754 -4.031 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.460 -6.485 -2.792 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.816 -4.747 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.507 -3.972 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.183 -5.617 -4.930 1.00 0.00 H new ATOM 295 N LYS A 22 -0.707 -4.337 -7.824 1.00 0.00 N ATOM 296 CA LYS A 22 -0.496 -3.135 -8.598 1.00 0.00 C ATOM 297 C LYS A 22 -1.343 -1.998 -8.056 1.00 0.00 C ATOM 298 O LYS A 22 -2.258 -2.207 -7.260 1.00 0.00 O ATOM 299 CB LYS A 22 -0.835 -3.385 -10.069 1.00 0.00 C ATOM 300 CG LYS A 22 0.220 -2.884 -11.035 1.00 0.00 C ATOM 301 CD LYS A 22 1.245 -3.963 -11.344 1.00 0.00 C ATOM 302 CE LYS A 22 0.763 -4.893 -12.443 1.00 0.00 C ATOM 303 NZ LYS A 22 -0.245 -5.865 -11.944 1.00 0.00 N ATOM 0 H LYS A 22 -1.211 -5.073 -8.319 1.00 0.00 H new ATOM 0 HA LYS A 22 0.555 -2.856 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.976 -4.455 -10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.784 -2.902 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.256 -2.557 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.721 -2.015 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.184 -3.498 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.450 -4.540 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.331 -4.305 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.613 -5.433 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.147 -6.763 -12.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.094 -6.031 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.200 -5.482 -12.094 1.00 0.00 H new ATOM 317 N ILE A 23 -1.020 -0.795 -8.488 1.00 0.00 N ATOM 318 CA ILE A 23 -1.732 0.389 -8.053 1.00 0.00 C ATOM 319 C ILE A 23 -1.591 1.529 -9.061 1.00 0.00 C ATOM 320 O ILE A 23 -0.573 1.651 -9.739 1.00 0.00 O ATOM 321 CB ILE A 23 -1.228 0.833 -6.670 1.00 0.00 C ATOM 322 CG1 ILE A 23 -2.201 0.330 -5.598 1.00 0.00 C ATOM 323 CG2 ILE A 23 -1.040 2.347 -6.600 1.00 0.00 C ATOM 324 CD1 ILE A 23 -2.228 1.158 -4.330 1.00 0.00 C ATOM 0 H ILE A 23 -0.262 -0.612 -9.146 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.790 0.137 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.246 0.395 -6.490 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.205 0.305 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.938 -0.696 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.683 2.624 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.311 2.658 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.992 2.841 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.944 0.728 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.236 1.163 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.523 2.180 -4.569 1.00 0.00 H new ATOM 336 N THR A 24 -2.626 2.364 -9.145 1.00 0.00 N ATOM 337 CA THR A 24 -2.623 3.496 -10.063 1.00 0.00 C ATOM 338 C THR A 24 -2.896 4.796 -9.315 1.00 0.00 C ATOM 339 O THR A 24 -4.031 5.072 -8.925 1.00 0.00 O ATOM 340 CB THR A 24 -3.669 3.293 -11.159 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.591 1.983 -11.690 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.524 4.264 -12.312 1.00 0.00 C ATOM 0 H THR A 24 -3.476 2.276 -8.588 1.00 0.00 H new ATOM 0 HA THR A 24 -1.637 3.561 -10.523 1.00 0.00 H new ATOM 0 HB THR A 24 -4.631 3.467 -10.676 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.269 1.872 -12.389 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.297 4.065 -13.054 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.629 5.285 -11.944 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.542 4.142 -12.769 1.00 0.00 H new ATOM 350 N LEU A 25 -1.850 5.586 -9.116 1.00 0.00 N ATOM 351 CA LEU A 25 -1.965 6.854 -8.416 1.00 0.00 C ATOM 352 C LEU A 25 -2.296 7.983 -9.385 1.00 0.00 C ATOM 353 O LEU A 25 -1.418 8.496 -10.076 1.00 0.00 O ATOM 354 CB LEU A 25 -0.658 7.143 -7.692 1.00 0.00 C ATOM 355 CG LEU A 25 -0.720 6.996 -6.173 1.00 0.00 C ATOM 356 CD1 LEU A 25 0.664 7.115 -5.566 1.00 0.00 C ATOM 357 CD2 LEU A 25 -1.660 8.035 -5.577 1.00 0.00 C ATOM 0 H LEU A 25 -0.906 5.367 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.778 6.789 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.110 6.472 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.343 8.159 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.109 6.005 -5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.597 7.007 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.307 6.332 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.085 8.091 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.693 7.917 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.300 9.034 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.660 7.899 -5.988 1.00 0.00 H new ATOM 369 N THR A 26 -3.567 8.367 -9.431 1.00 0.00 N ATOM 370 CA THR A 26 -4.007 9.435 -10.319 1.00 0.00 C ATOM 371 C THR A 26 -3.457 10.779 -9.849 1.00 0.00 C ATOM 372 O THR A 26 -3.863 11.295 -8.799 1.00 0.00 O ATOM 373 CB THR A 26 -5.532 9.486 -10.383 1.00 0.00 C ATOM 374 OG1 THR A 26 -6.074 8.177 -10.414 1.00 0.00 O ATOM 375 CG2 THR A 26 -6.057 10.230 -11.590 1.00 0.00 C ATOM 0 H THR A 26 -4.309 7.955 -8.865 1.00 0.00 H new ATOM 0 HA THR A 26 -3.623 9.229 -11.318 1.00 0.00 H new ATOM 0 HB THR A 26 -5.842 10.022 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.949 8.196 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.147 10.228 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.696 11.258 -11.569 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.707 9.741 -12.499 1.00 0.00 H new ATOM 383 N PRO A 27 -2.518 11.350 -10.631 1.00 0.00 N ATOM 384 CA PRO A 27 -1.872 12.628 -10.336 1.00 0.00 C ATOM 385 C PRO A 27 -2.589 13.807 -10.964 1.00 0.00 C ATOM 386 O PRO A 27 -2.111 14.929 -10.894 1.00 0.00 O ATOM 387 CB PRO A 27 -0.531 12.439 -11.017 1.00 0.00 C ATOM 388 CG PRO A 27 -0.895 11.733 -12.273 1.00 0.00 C ATOM 389 CD PRO A 27 -2.001 10.779 -11.893 1.00 0.00 C ATOM 0 HA PRO A 27 -1.842 12.849 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.041 13.392 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.153 11.850 -10.406 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.228 12.436 -13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.039 11.198 -12.685 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.774 10.732 -12.660 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.628 9.764 -11.753 1.00 0.00 H new ATOM 397 N ASN A 28 -3.714 13.503 -11.597 1.00 0.00 N ATOM 398 CA ASN A 28 -4.554 14.453 -12.300 1.00 0.00 C ATOM 399 C ASN A 28 -4.615 15.778 -11.576 1.00 0.00 C ATOM 400 O ASN A 28 -5.643 16.191 -11.044 1.00 0.00 O ATOM 401 CB ASN A 28 -5.966 13.884 -12.457 1.00 0.00 C ATOM 402 CG ASN A 28 -6.512 14.069 -13.858 1.00 0.00 C ATOM 403 OD1 ASN A 28 -7.605 14.603 -14.045 1.00 0.00 O ATOM 404 ND2 ASN A 28 -5.752 13.626 -14.853 1.00 0.00 N ATOM 0 H ASN A 28 -4.077 12.551 -11.634 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.116 14.624 -13.283 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.956 12.822 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.632 14.370 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.068 13.722 -15.818 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.852 13.189 -14.652 1.00 0.00 H new ATOM 411 N GLY A 29 -3.474 16.413 -11.575 1.00 0.00 N ATOM 412 CA GLY A 29 -3.311 17.702 -10.929 1.00 0.00 C ATOM 413 C GLY A 29 -2.368 17.634 -9.744 1.00 0.00 C ATOM 414 O GLY A 29 -1.722 18.619 -9.389 1.00 0.00 O ATOM 0 H GLY A 29 -2.628 16.058 -12.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.931 18.423 -11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.283 18.065 -10.597 1.00 0.00 H new ATOM 418 N ASN A 30 -2.297 16.457 -9.142 1.00 0.00 N ATOM 419 CA ASN A 30 -1.432 16.217 -7.991 1.00 0.00 C ATOM 420 C ASN A 30 -0.185 15.444 -8.401 1.00 0.00 C ATOM 421 O ASN A 30 -0.093 14.937 -9.519 1.00 0.00 O ATOM 422 CB ASN A 30 -2.188 15.435 -6.914 1.00 0.00 C ATOM 423 CG ASN A 30 -3.670 15.298 -7.211 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.498 15.963 -6.594 1.00 0.00 O ATOM 425 ND2 ASN A 30 -4.014 14.432 -8.161 1.00 0.00 N ATOM 0 H ASN A 30 -2.835 15.641 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.129 17.184 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.749 14.442 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.060 15.934 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.997 14.301 -8.400 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.295 13.899 -8.650 1.00 0.00 H new ATOM 432 N THR A 31 0.763 15.354 -7.482 1.00 0.00 N ATOM 433 CA THR A 31 2.005 14.639 -7.733 1.00 0.00 C ATOM 434 C THR A 31 2.276 13.629 -6.621 1.00 0.00 C ATOM 435 O THR A 31 1.750 13.752 -5.517 1.00 0.00 O ATOM 436 CB THR A 31 3.172 15.620 -7.844 1.00 0.00 C ATOM 437 OG1 THR A 31 4.404 14.923 -7.929 1.00 0.00 O ATOM 438 CG2 THR A 31 3.266 16.575 -6.673 1.00 0.00 C ATOM 0 H THR A 31 0.696 15.768 -6.552 1.00 0.00 H new ATOM 0 HA THR A 31 1.906 14.102 -8.676 1.00 0.00 H new ATOM 0 HB THR A 31 2.979 16.198 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.140 15.566 -8.001 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.115 17.243 -6.816 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.350 17.162 -6.608 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.401 16.009 -5.751 1.00 0.00 H new ATOM 446 N PHE A 32 3.099 12.634 -6.926 1.00 0.00 N ATOM 447 CA PHE A 32 3.442 11.600 -5.955 1.00 0.00 C ATOM 448 C PHE A 32 4.906 11.696 -5.545 1.00 0.00 C ATOM 449 O PHE A 32 5.780 11.950 -6.376 1.00 0.00 O ATOM 450 CB PHE A 32 3.154 10.212 -6.535 1.00 0.00 C ATOM 451 CG PHE A 32 3.343 9.095 -5.547 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.130 9.299 -4.192 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.737 7.839 -5.975 1.00 0.00 C ATOM 454 CE1 PHE A 32 3.306 8.274 -3.287 1.00 0.00 C ATOM 455 CE2 PHE A 32 3.916 6.808 -5.074 1.00 0.00 C ATOM 456 CZ PHE A 32 3.700 7.026 -3.729 1.00 0.00 C ATOM 0 H PHE A 32 3.542 12.520 -7.838 1.00 0.00 H new ATOM 0 HA PHE A 32 2.827 11.754 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.129 10.188 -6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.807 10.043 -7.391 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.822 10.273 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.907 7.663 -7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.136 8.446 -2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.224 5.833 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.839 6.221 -3.022 1.00 0.00 H new ATOM 466 N ASN A 33 5.171 11.484 -4.260 1.00 0.00 N ATOM 467 CA ASN A 33 6.531 11.539 -3.738 1.00 0.00 C ATOM 468 C ASN A 33 7.035 10.138 -3.406 1.00 0.00 C ATOM 469 O ASN A 33 8.203 9.818 -3.632 1.00 0.00 O ATOM 470 CB ASN A 33 6.585 12.424 -2.490 1.00 0.00 C ATOM 471 CG ASN A 33 7.801 13.331 -2.480 1.00 0.00 C ATOM 472 OD1 ASN A 33 8.886 12.929 -2.059 1.00 0.00 O ATOM 473 ND2 ASN A 33 7.622 14.563 -2.942 1.00 0.00 N ATOM 0 H ASN A 33 4.460 11.272 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 33 7.176 11.969 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.681 13.031 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.597 11.794 -1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.402 15.220 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.704 14.852 -3.281 1.00 0.00 H new ATOM 480 N GLY A 34 6.146 9.308 -2.870 1.00 0.00 N ATOM 481 CA GLY A 34 6.518 7.949 -2.518 1.00 0.00 C ATOM 482 C GLY A 34 5.858 7.478 -1.237 1.00 0.00 C ATOM 483 O GLY A 34 5.309 8.280 -0.480 1.00 0.00 O ATOM 0 H GLY A 34 5.175 9.551 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.243 7.278 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.601 7.889 -2.408 1.00 0.00 H new ATOM 487 N ILE A 35 5.915 6.172 -0.991 1.00 0.00 N ATOM 488 CA ILE A 35 5.326 5.587 0.199 1.00 0.00 C ATOM 489 C ILE A 35 6.399 5.316 1.244 1.00 0.00 C ATOM 490 O ILE A 35 6.979 4.230 1.290 1.00 0.00 O ATOM 491 CB ILE A 35 4.610 4.265 -0.113 1.00 0.00 C ATOM 492 CG1 ILE A 35 4.110 4.245 -1.559 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.460 4.036 0.852 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.616 2.888 -2.013 1.00 0.00 C ATOM 0 H ILE A 35 6.368 5.498 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 35 4.599 6.304 0.579 1.00 0.00 H new ATOM 0 HB ILE A 35 5.328 3.454 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.303 4.970 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.917 4.567 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.967 3.094 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.843 3.996 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.744 4.853 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.278 2.951 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.426 2.163 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.788 2.572 -1.379 1.00 0.00 H new ATOM 506 N SER A 36 6.658 6.306 2.081 1.00 0.00 N ATOM 507 CA SER A 36 7.667 6.171 3.132 1.00 0.00 C ATOM 508 C SER A 36 7.257 5.112 4.132 1.00 0.00 C ATOM 509 O SER A 36 8.104 4.484 4.766 1.00 0.00 O ATOM 510 CB SER A 36 7.896 7.510 3.837 1.00 0.00 C ATOM 511 OG SER A 36 8.937 8.242 3.215 1.00 0.00 O ATOM 0 H SER A 36 6.189 7.211 2.058 1.00 0.00 H new ATOM 0 HA SER A 36 8.603 5.862 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.976 8.095 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.145 7.336 4.884 1.00 0.00 H new ATOM 0 HG SER A 36 9.063 9.094 3.683 1.00 0.00 H new ATOM 517 N GLU A 37 5.955 4.883 4.247 1.00 0.00 N ATOM 518 CA GLU A 37 5.461 3.860 5.143 1.00 0.00 C ATOM 519 C GLU A 37 6.176 2.557 4.822 1.00 0.00 C ATOM 520 O GLU A 37 6.350 1.691 5.680 1.00 0.00 O ATOM 521 CB GLU A 37 3.955 3.715 4.974 1.00 0.00 C ATOM 522 CG GLU A 37 3.220 3.413 6.268 1.00 0.00 C ATOM 523 CD GLU A 37 1.851 4.064 6.310 1.00 0.00 C ATOM 524 OE1 GLU A 37 1.306 4.362 5.226 1.00 0.00 O ATOM 525 OE2 GLU A 37 1.330 4.279 7.425 1.00 0.00 O ATOM 0 H GLU A 37 5.233 5.389 3.734 1.00 0.00 H new ATOM 0 HA GLU A 37 5.657 4.130 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.556 4.635 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.754 2.918 4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.112 2.334 6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.814 3.763 7.112 1.00 0.00 H new ATOM 532 N LEU A 38 6.611 2.449 3.565 1.00 0.00 N ATOM 533 CA LEU A 38 7.334 1.287 3.089 1.00 0.00 C ATOM 534 C LEU A 38 8.419 1.714 2.098 1.00 0.00 C ATOM 535 O LEU A 38 8.182 1.795 0.894 1.00 0.00 O ATOM 536 CB LEU A 38 6.382 0.283 2.436 1.00 0.00 C ATOM 537 CG LEU A 38 5.021 0.839 2.020 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.484 0.075 0.820 1.00 0.00 C ATOM 539 CD2 LEU A 38 4.038 0.766 3.179 1.00 0.00 C ATOM 0 H LEU A 38 6.468 3.168 2.856 1.00 0.00 H new ATOM 0 HA LEU A 38 7.806 0.801 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.870 -0.133 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.221 -0.542 3.130 1.00 0.00 H new ATOM 0 HG LEU A 38 5.145 1.885 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.514 0.482 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.179 0.173 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.374 -0.978 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.074 1.166 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.916 -0.272 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.418 1.352 4.016 1.00 0.00 H new ATOM 551 N GLN A 39 9.605 2.002 2.633 1.00 0.00 N ATOM 552 CA GLN A 39 10.748 2.444 1.862 1.00 0.00 C ATOM 553 C GLN A 39 10.744 1.837 0.478 1.00 0.00 C ATOM 554 O GLN A 39 11.249 0.744 0.234 1.00 0.00 O ATOM 555 CB GLN A 39 12.047 2.083 2.583 1.00 0.00 C ATOM 556 CG GLN A 39 13.297 2.517 1.836 1.00 0.00 C ATOM 557 CD GLN A 39 14.396 2.988 2.770 1.00 0.00 C ATOM 558 OE1 GLN A 39 14.587 2.435 3.852 1.00 0.00 O ATOM 559 NE2 GLN A 39 15.127 4.016 2.351 1.00 0.00 N ATOM 0 H GLN A 39 9.793 1.931 3.633 1.00 0.00 H new ATOM 0 HA GLN A 39 10.682 3.527 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.045 2.544 3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.081 1.004 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.666 1.685 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.043 3.320 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.933 4.444 1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.882 4.377 2.935 1.00 0.00 H new ATOM 568 N SER A 40 10.148 2.622 -0.383 1.00 0.00 N ATOM 569 CA SER A 40 9.970 2.354 -1.818 1.00 0.00 C ATOM 570 C SER A 40 10.403 0.959 -2.234 1.00 0.00 C ATOM 571 O SER A 40 9.700 0.275 -2.972 1.00 0.00 O ATOM 572 CB SER A 40 10.738 3.391 -2.636 1.00 0.00 C ATOM 573 OG SER A 40 11.209 4.443 -1.810 1.00 0.00 O ATOM 0 H SER A 40 9.747 3.517 -0.103 1.00 0.00 H new ATOM 0 HA SER A 40 8.900 2.422 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.580 2.913 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.092 3.797 -3.414 1.00 0.00 H new ATOM 0 HG SER A 40 11.699 5.093 -2.356 1.00 0.00 H new ATOM 579 N SER A 41 11.559 0.548 -1.762 1.00 0.00 N ATOM 580 CA SER A 41 12.085 -0.767 -2.090 1.00 0.00 C ATOM 581 C SER A 41 11.036 -1.850 -1.840 1.00 0.00 C ATOM 582 O SER A 41 11.112 -2.946 -2.397 1.00 0.00 O ATOM 583 CB SER A 41 13.344 -1.059 -1.271 1.00 0.00 C ATOM 584 OG SER A 41 14.443 -1.356 -2.115 1.00 0.00 O ATOM 0 H SER A 41 12.156 1.103 -1.149 1.00 0.00 H new ATOM 0 HA SER A 41 12.343 -0.773 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.583 -0.198 -0.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.159 -1.898 -0.600 1.00 0.00 H new ATOM 0 HG SER A 41 15.236 -1.537 -1.568 1.00 0.00 H new ATOM 590 N GLN A 42 10.059 -1.533 -0.995 1.00 0.00 N ATOM 591 CA GLN A 42 8.993 -2.458 -0.654 1.00 0.00 C ATOM 592 C GLN A 42 8.076 -2.729 -1.845 1.00 0.00 C ATOM 593 O GLN A 42 7.428 -3.777 -1.928 1.00 0.00 O ATOM 594 CB GLN A 42 8.191 -1.857 0.483 1.00 0.00 C ATOM 595 CG GLN A 42 9.039 -1.160 1.532 1.00 0.00 C ATOM 596 CD GLN A 42 10.285 -1.945 1.896 1.00 0.00 C ATOM 597 OE1 GLN A 42 11.362 -1.711 1.346 1.00 0.00 O ATOM 598 NE2 GLN A 42 10.145 -2.884 2.823 1.00 0.00 N ATOM 0 H GLN A 42 9.988 -0.628 -0.530 1.00 0.00 H new ATOM 0 HA GLN A 42 9.433 -3.411 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.477 -1.142 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.612 -2.646 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.330 -0.176 1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.441 -1.000 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.234 -3.044 3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.948 -3.445 3.106 1.00 0.00 H new ATOM 607 N TYR A 43 8.014 -1.767 -2.747 1.00 0.00 N ATOM 608 CA TYR A 43 7.170 -1.866 -3.933 1.00 0.00 C ATOM 609 C TYR A 43 7.921 -1.457 -5.191 1.00 0.00 C ATOM 610 O TYR A 43 9.131 -1.231 -5.174 1.00 0.00 O ATOM 611 CB TYR A 43 5.924 -0.995 -3.760 1.00 0.00 C ATOM 612 CG TYR A 43 6.204 0.323 -3.092 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.555 1.443 -3.834 1.00 0.00 C ATOM 614 CD2 TYR A 43 6.122 0.452 -1.712 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.815 2.653 -3.223 1.00 0.00 C ATOM 616 CE2 TYR A 43 6.378 1.656 -1.091 1.00 0.00 C ATOM 617 CZ TYR A 43 6.726 2.754 -1.850 1.00 0.00 C ATOM 618 OH TYR A 43 6.991 3.954 -1.235 1.00 0.00 O ATOM 0 H TYR A 43 8.543 -0.897 -2.683 1.00 0.00 H new ATOM 0 HA TYR A 43 6.873 -2.909 -4.047 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.480 -0.811 -4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.186 -1.542 -3.173 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.626 1.366 -4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.853 -0.406 -1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.086 3.514 -3.815 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.306 1.739 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 43 7.424 3.790 -0.371 1.00 0.00 H new ATOM 628 N THR A 44 7.169 -1.357 -6.275 1.00 0.00 N ATOM 629 CA THR A 44 7.696 -0.968 -7.567 1.00 0.00 C ATOM 630 C THR A 44 6.891 0.200 -8.096 1.00 0.00 C ATOM 631 O THR A 44 5.884 0.029 -8.781 1.00 0.00 O ATOM 632 CB THR A 44 7.636 -2.133 -8.553 1.00 0.00 C ATOM 633 OG1 THR A 44 8.393 -3.233 -8.078 1.00 0.00 O ATOM 634 CG2 THR A 44 8.152 -1.781 -9.930 1.00 0.00 C ATOM 0 H THR A 44 6.167 -1.546 -6.280 1.00 0.00 H new ATOM 0 HA THR A 44 8.740 -0.678 -7.452 1.00 0.00 H new ATOM 0 HB THR A 44 6.579 -2.387 -8.634 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.340 -3.969 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.081 -2.654 -10.579 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.555 -0.969 -10.346 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.193 -1.466 -9.859 1.00 0.00 H new ATOM 642 N LYS A 45 7.332 1.387 -7.736 1.00 0.00 N ATOM 643 CA LYS A 45 6.663 2.612 -8.124 1.00 0.00 C ATOM 644 C LYS A 45 6.776 2.865 -9.617 1.00 0.00 C ATOM 645 O LYS A 45 7.531 2.202 -10.328 1.00 0.00 O ATOM 646 CB LYS A 45 7.270 3.794 -7.373 1.00 0.00 C ATOM 647 CG LYS A 45 8.764 3.666 -7.117 1.00 0.00 C ATOM 648 CD LYS A 45 9.055 3.108 -5.735 1.00 0.00 C ATOM 649 CE LYS A 45 10.412 2.425 -5.693 1.00 0.00 C ATOM 650 NZ LYS A 45 10.302 0.993 -5.300 1.00 0.00 N ATOM 0 H LYS A 45 8.165 1.530 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 45 5.608 2.504 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.087 4.705 -7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.757 3.906 -6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.207 3.017 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.235 4.643 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.028 3.914 -5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.278 2.396 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.885 2.497 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.059 2.946 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.248 0.618 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.698 0.910 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.883 0.450 -6.082 1.00 0.00 H new ATOM 664 N GLY A 46 6.008 3.841 -10.077 1.00 0.00 N ATOM 665 CA GLY A 46 6.005 4.205 -11.473 1.00 0.00 C ATOM 666 C GLY A 46 5.319 5.533 -11.701 1.00 0.00 C ATOM 667 O GLY A 46 4.225 5.583 -12.265 1.00 0.00 O ATOM 0 H GLY A 46 5.378 4.394 -9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.031 4.257 -11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.500 3.430 -12.050 1.00 0.00 H new ATOM 671 N THR A 47 5.963 6.609 -11.242 1.00 0.00 N ATOM 672 CA THR A 47 5.429 7.969 -11.381 1.00 0.00 C ATOM 673 C THR A 47 3.936 7.954 -11.700 1.00 0.00 C ATOM 674 O THR A 47 3.540 7.758 -12.849 1.00 0.00 O ATOM 675 CB THR A 47 6.184 8.723 -12.477 1.00 0.00 C ATOM 676 OG1 THR A 47 5.754 10.071 -12.545 1.00 0.00 O ATOM 677 CG2 THR A 47 6.010 8.115 -13.853 1.00 0.00 C ATOM 0 H THR A 47 6.864 6.565 -10.766 1.00 0.00 H new ATOM 0 HA THR A 47 5.567 8.478 -10.427 1.00 0.00 H new ATOM 0 HB THR A 47 7.236 8.657 -12.200 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.249 10.537 -13.251 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.572 8.699 -14.582 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.379 7.090 -13.847 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.954 8.119 -14.121 1.00 0.00 H new ATOM 685 N ASN A 48 3.119 8.155 -10.670 1.00 0.00 N ATOM 686 CA ASN A 48 1.665 8.154 -10.813 1.00 0.00 C ATOM 687 C ASN A 48 1.101 6.753 -10.595 1.00 0.00 C ATOM 688 O ASN A 48 -0.101 6.576 -10.460 1.00 0.00 O ATOM 689 CB ASN A 48 1.238 8.688 -12.185 1.00 0.00 C ATOM 690 CG ASN A 48 2.009 9.929 -12.590 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.677 10.556 -11.769 1.00 0.00 O ATOM 692 ND2 ASN A 48 1.923 10.290 -13.865 1.00 0.00 N ATOM 0 H ASN A 48 3.443 8.322 -9.717 1.00 0.00 H new ATOM 0 HA ASN A 48 1.260 8.818 -10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.385 7.911 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.172 8.916 -12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.422 11.116 -14.196 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.358 9.742 -14.513 1.00 0.00 H new ATOM 699 N GLU A 49 1.986 5.764 -10.558 1.00 0.00 N ATOM 700 CA GLU A 49 1.578 4.380 -10.344 1.00 0.00 C ATOM 701 C GLU A 49 2.580 3.654 -9.457 1.00 0.00 C ATOM 702 O GLU A 49 3.690 4.132 -9.238 1.00 0.00 O ATOM 703 CB GLU A 49 1.448 3.649 -11.679 1.00 0.00 C ATOM 704 CG GLU A 49 0.063 3.739 -12.292 1.00 0.00 C ATOM 705 CD GLU A 49 0.098 3.881 -13.801 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.177 5.030 -14.286 1.00 0.00 O ATOM 707 OE2 GLU A 49 0.048 2.846 -14.496 1.00 0.00 O ATOM 0 H GLU A 49 2.991 5.894 -10.673 1.00 0.00 H new ATOM 0 HA GLU A 49 0.608 4.387 -9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.174 4.061 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.704 2.599 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.505 2.847 -12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.465 4.591 -11.863 1.00 0.00 H new ATOM 714 N VAL A 50 2.181 2.494 -8.953 1.00 0.00 N ATOM 715 CA VAL A 50 3.047 1.693 -8.094 1.00 0.00 C ATOM 716 C VAL A 50 2.531 0.267 -7.981 1.00 0.00 C ATOM 717 O VAL A 50 1.343 0.007 -8.177 1.00 0.00 O ATOM 718 CB VAL A 50 3.176 2.299 -6.687 1.00 0.00 C ATOM 719 CG1 VAL A 50 1.812 2.453 -6.038 1.00 0.00 C ATOM 720 CG2 VAL A 50 4.093 1.446 -5.822 1.00 0.00 C ATOM 0 H VAL A 50 1.262 2.085 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 50 4.033 1.687 -8.559 1.00 0.00 H new ATOM 0 HB VAL A 50 3.618 3.291 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.929 2.884 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.191 3.110 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.335 1.476 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.173 1.889 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.682 0.440 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.082 1.397 -6.278 1.00 0.00 H new ATOM 730 N THR A 51 3.430 -0.655 -7.669 1.00 0.00 N ATOM 731 CA THR A 51 3.062 -2.056 -7.542 1.00 0.00 C ATOM 732 C THR A 51 3.733 -2.704 -6.336 1.00 0.00 C ATOM 733 O THR A 51 4.958 -2.788 -6.264 1.00 0.00 O ATOM 734 CB THR A 51 3.449 -2.811 -8.812 1.00 0.00 C ATOM 735 OG1 THR A 51 2.768 -2.286 -9.936 1.00 0.00 O ATOM 736 CG2 THR A 51 3.154 -4.294 -8.744 1.00 0.00 C ATOM 0 H THR A 51 4.416 -0.458 -7.500 1.00 0.00 H new ATOM 0 HA THR A 51 1.983 -2.106 -7.396 1.00 0.00 H new ATOM 0 HB THR A 51 4.527 -2.678 -8.907 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.386 -2.225 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.454 -4.768 -9.679 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.709 -4.738 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.086 -4.446 -8.586 1.00 0.00 H new ATOM 744 N LEU A 52 2.920 -3.180 -5.400 1.00 0.00 N ATOM 745 CA LEU A 52 3.432 -3.843 -4.204 1.00 0.00 C ATOM 746 C LEU A 52 4.035 -5.180 -4.578 1.00 0.00 C ATOM 747 O LEU A 52 3.463 -5.914 -5.386 1.00 0.00 O ATOM 748 CB LEU A 52 2.307 -4.070 -3.198 1.00 0.00 C ATOM 749 CG LEU A 52 2.027 -2.897 -2.274 1.00 0.00 C ATOM 750 CD1 LEU A 52 0.575 -2.900 -1.824 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.965 -2.916 -1.079 1.00 0.00 C ATOM 0 H LEU A 52 1.903 -3.120 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 52 4.193 -3.205 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.394 -4.309 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.553 -4.941 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 52 2.207 -1.976 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.397 -2.052 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.076 -2.824 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.361 -3.826 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.746 -2.067 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.826 -3.843 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.997 -2.852 -1.425 1.00 0.00 H new ATOM 763 N LEU A 53 5.183 -5.512 -3.995 1.00 0.00 N ATOM 764 CA LEU A 53 5.808 -6.780 -4.312 1.00 0.00 C ATOM 765 C LEU A 53 5.697 -7.770 -3.159 1.00 0.00 C ATOM 766 O LEU A 53 6.158 -7.517 -2.045 1.00 0.00 O ATOM 767 CB LEU A 53 7.274 -6.612 -4.724 1.00 0.00 C ATOM 768 CG LEU A 53 7.859 -5.219 -4.529 1.00 0.00 C ATOM 769 CD1 LEU A 53 9.325 -5.303 -4.136 1.00 0.00 C ATOM 770 CD2 LEU A 53 7.692 -4.391 -5.794 1.00 0.00 C ATOM 0 H LEU A 53 5.684 -4.935 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 53 5.262 -7.184 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.876 -7.322 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.370 -6.883 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 53 7.316 -4.729 -3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.724 -4.298 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.420 -5.859 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.883 -5.813 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.115 -3.399 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.209 -4.880 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.632 -4.300 -6.032 1.00 0.00 H new ATOM 782 N ALA A 54 5.088 -8.908 -3.453 1.00 0.00 N ATOM 783 CA ALA A 54 4.898 -9.973 -2.475 1.00 0.00 C ATOM 784 C ALA A 54 6.128 -10.186 -1.591 1.00 0.00 C ATOM 785 O ALA A 54 6.037 -10.823 -0.549 1.00 0.00 O ATOM 786 CB ALA A 54 4.542 -11.269 -3.184 1.00 0.00 C ATOM 0 H ALA A 54 4.711 -9.121 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 54 4.081 -9.667 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.402 -12.060 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.621 -11.133 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.348 -11.545 -3.864 1.00 0.00 H new ATOM 792 N SER A 55 7.273 -9.656 -2.005 1.00 0.00 N ATOM 793 CA SER A 55 8.501 -9.806 -1.233 1.00 0.00 C ATOM 794 C SER A 55 8.438 -8.984 0.043 1.00 0.00 C ATOM 795 O SER A 55 8.760 -9.469 1.126 1.00 0.00 O ATOM 796 CB SER A 55 9.713 -9.387 -2.067 1.00 0.00 C ATOM 797 OG SER A 55 9.547 -8.076 -2.582 1.00 0.00 O ATOM 0 H SER A 55 7.377 -9.121 -2.867 1.00 0.00 H new ATOM 0 HA SER A 55 8.606 -10.857 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.613 -9.429 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.854 -10.089 -2.889 1.00 0.00 H new ATOM 0 HG SER A 55 10.405 -7.604 -2.557 1.00 0.00 H new ATOM 803 N TYR A 56 8.012 -7.738 -0.096 1.00 0.00 N ATOM 804 CA TYR A 56 7.887 -6.830 1.022 1.00 0.00 C ATOM 805 C TYR A 56 6.759 -7.274 1.930 1.00 0.00 C ATOM 806 O TYR A 56 6.951 -7.551 3.117 1.00 0.00 O ATOM 807 CB TYR A 56 7.602 -5.431 0.480 1.00 0.00 C ATOM 808 CG TYR A 56 6.673 -4.594 1.334 1.00 0.00 C ATOM 809 CD1 TYR A 56 6.827 -4.520 2.712 1.00 0.00 C ATOM 810 CD2 TYR A 56 5.640 -3.868 0.752 1.00 0.00 C ATOM 811 CE1 TYR A 56 5.979 -3.750 3.484 1.00 0.00 C ATOM 812 CE2 TYR A 56 4.789 -3.098 1.516 1.00 0.00 C ATOM 813 CZ TYR A 56 4.961 -3.041 2.880 1.00 0.00 C ATOM 814 OH TYR A 56 4.113 -2.273 3.640 1.00 0.00 O ATOM 0 H TYR A 56 7.744 -7.332 -0.992 1.00 0.00 H new ATOM 0 HA TYR A 56 8.811 -6.824 1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.548 -4.900 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.171 -5.524 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.623 -5.074 3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.502 -3.908 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.112 -3.703 4.555 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.991 -2.542 1.046 1.00 0.00 H new ATOM 0 HH TYR A 56 3.198 -2.363 3.301 1.00 0.00 H new ATOM 824 N LEU A 57 5.581 -7.329 1.347 1.00 0.00 N ATOM 825 CA LEU A 57 4.386 -7.731 2.082 1.00 0.00 C ATOM 826 C LEU A 57 4.598 -9.079 2.748 1.00 0.00 C ATOM 827 O LEU A 57 4.158 -9.301 3.875 1.00 0.00 O ATOM 828 CB LEU A 57 3.152 -7.792 1.172 1.00 0.00 C ATOM 829 CG LEU A 57 3.398 -7.461 -0.289 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.165 -7.767 -1.126 1.00 0.00 C ATOM 831 CD2 LEU A 57 3.787 -6.001 -0.439 1.00 0.00 C ATOM 0 H LEU A 57 5.418 -7.102 0.366 1.00 0.00 H new ATOM 0 HA LEU A 57 4.207 -6.974 2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.727 -8.794 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.402 -7.104 1.561 1.00 0.00 H new ATOM 0 HG LEU A 57 4.219 -8.082 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.364 -7.522 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.922 -8.826 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.325 -7.172 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.961 -5.777 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.983 -5.370 -0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.697 -5.807 0.128 1.00 0.00 H new ATOM 843 N ASN A 58 5.275 -9.983 2.051 1.00 0.00 N ATOM 844 CA ASN A 58 5.536 -11.302 2.597 1.00 0.00 C ATOM 845 C ASN A 58 6.452 -11.203 3.811 1.00 0.00 C ATOM 846 O ASN A 58 6.415 -12.052 4.702 1.00 0.00 O ATOM 847 CB ASN A 58 6.166 -12.220 1.546 1.00 0.00 C ATOM 848 CG ASN A 58 6.588 -13.558 2.123 1.00 0.00 C ATOM 849 OD1 ASN A 58 5.826 -14.208 2.837 1.00 0.00 O ATOM 850 ND2 ASN A 58 7.810 -13.975 1.815 1.00 0.00 N ATOM 0 H ASN A 58 5.649 -9.826 1.115 1.00 0.00 H new ATOM 0 HA ASN A 58 4.582 -11.731 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.453 -12.385 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.034 -11.726 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.150 -14.867 2.174 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.409 -13.403 1.219 1.00 0.00 H new ATOM 857 N THR A 59 7.277 -10.159 3.832 1.00 0.00 N ATOM 858 CA THR A 59 8.211 -9.943 4.928 1.00 0.00 C ATOM 859 C THR A 59 7.546 -9.214 6.086 1.00 0.00 C ATOM 860 O THR A 59 7.960 -9.349 7.238 1.00 0.00 O ATOM 861 CB THR A 59 9.427 -9.154 4.443 1.00 0.00 C ATOM 862 OG1 THR A 59 10.136 -9.882 3.455 1.00 0.00 O ATOM 863 CG2 THR A 59 10.401 -8.814 5.550 1.00 0.00 C ATOM 0 H THR A 59 7.316 -9.450 3.100 1.00 0.00 H new ATOM 0 HA THR A 59 8.537 -10.920 5.284 1.00 0.00 H new ATOM 0 HB THR A 59 9.025 -8.225 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.648 -9.843 2.606 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.240 -8.254 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.898 -8.209 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.768 -9.733 6.007 1.00 0.00 H new ATOM 871 N LEU A 60 6.511 -8.438 5.777 1.00 0.00 N ATOM 872 CA LEU A 60 5.791 -7.685 6.799 1.00 0.00 C ATOM 873 C LEU A 60 5.573 -8.534 8.051 1.00 0.00 C ATOM 874 O LEU A 60 5.281 -9.727 7.962 1.00 0.00 O ATOM 875 CB LEU A 60 4.447 -7.203 6.257 1.00 0.00 C ATOM 876 CG LEU A 60 4.444 -5.769 5.722 1.00 0.00 C ATOM 877 CD1 LEU A 60 3.375 -5.600 4.653 1.00 0.00 C ATOM 878 CD2 LEU A 60 4.230 -4.781 6.854 1.00 0.00 C ATOM 0 H LEU A 60 6.153 -8.314 4.830 1.00 0.00 H new ATOM 0 HA LEU A 60 6.397 -6.820 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.132 -7.874 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.703 -7.281 7.050 1.00 0.00 H new ATOM 0 HG LEU A 60 5.415 -5.567 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.388 -4.574 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.574 -6.284 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.396 -5.820 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.231 -3.766 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.273 -4.981 7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.033 -4.885 7.584 1.00 0.00 H new ATOM 890 N PRO A 61 5.726 -7.927 9.239 1.00 0.00 N ATOM 891 CA PRO A 61 5.555 -8.628 10.518 1.00 0.00 C ATOM 892 C PRO A 61 4.254 -9.421 10.587 1.00 0.00 C ATOM 893 O PRO A 61 3.444 -9.393 9.662 1.00 0.00 O ATOM 894 CB PRO A 61 5.545 -7.493 11.541 1.00 0.00 C ATOM 895 CG PRO A 61 6.342 -6.405 10.908 1.00 0.00 C ATOM 896 CD PRO A 61 6.082 -6.510 9.428 1.00 0.00 C ATOM 0 HA PRO A 61 6.339 -9.367 10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.529 -7.164 11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.986 -7.808 12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.042 -5.429 11.289 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.403 -6.520 11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.274 -5.848 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.962 -6.236 8.846 1.00 0.00 H new ATOM 904 N GLU A 62 4.064 -10.126 11.699 1.00 0.00 N ATOM 905 CA GLU A 62 2.868 -10.932 11.911 1.00 0.00 C ATOM 906 C GLU A 62 1.612 -10.093 11.793 1.00 0.00 C ATOM 907 O GLU A 62 1.635 -9.000 11.235 1.00 0.00 O ATOM 908 CB GLU A 62 2.922 -11.606 13.284 1.00 0.00 C ATOM 909 CG GLU A 62 2.612 -10.668 14.440 1.00 0.00 C ATOM 910 CD GLU A 62 1.231 -10.894 15.022 1.00 0.00 C ATOM 911 OE1 GLU A 62 0.731 -12.035 14.937 1.00 0.00 O ATOM 912 OE2 GLU A 62 0.648 -9.929 15.560 1.00 0.00 O ATOM 0 H GLU A 62 4.729 -10.154 12.472 1.00 0.00 H new ATOM 0 HA GLU A 62 2.837 -11.698 11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.213 -12.434 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.914 -12.033 13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.358 -10.804 15.223 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.693 -9.636 14.097 1.00 0.00 H new ATOM 919 N ASN A 63 0.519 -10.645 12.302 1.00 0.00 N ATOM 920 CA ASN A 63 -0.773 -10.005 12.257 1.00 0.00 C ATOM 921 C ASN A 63 -0.670 -8.502 12.486 1.00 0.00 C ATOM 922 O ASN A 63 -1.049 -7.992 13.541 1.00 0.00 O ATOM 923 CB ASN A 63 -1.700 -10.625 13.304 1.00 0.00 C ATOM 924 CG ASN A 63 -3.156 -10.587 12.880 1.00 0.00 C ATOM 925 OD1 ASN A 63 -3.810 -11.625 12.773 1.00 0.00 O ATOM 926 ND2 ASN A 63 -3.671 -9.388 12.638 1.00 0.00 N ATOM 0 H ASN A 63 0.512 -11.557 12.760 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.184 -10.163 11.260 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.403 -11.658 13.482 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.585 -10.093 14.248 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.646 -9.300 12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.092 -8.554 12.739 1.00 0.00 H new ATOM 933 N THR A 64 -0.155 -7.801 11.485 1.00 0.00 N ATOM 934 CA THR A 64 0.006 -6.353 11.563 1.00 0.00 C ATOM 935 C THR A 64 -0.860 -5.652 10.529 1.00 0.00 C ATOM 936 O THR A 64 -1.368 -6.280 9.601 1.00 0.00 O ATOM 937 CB THR A 64 1.474 -5.972 11.354 1.00 0.00 C ATOM 938 OG1 THR A 64 1.987 -6.580 10.183 1.00 0.00 O ATOM 939 CG2 THR A 64 2.367 -6.373 12.509 1.00 0.00 C ATOM 0 H THR A 64 0.160 -8.212 10.606 1.00 0.00 H new ATOM 0 HA THR A 64 -0.312 -6.031 12.555 1.00 0.00 H new ATOM 0 HB THR A 64 1.482 -4.885 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.144 -7.533 10.351 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.393 -6.074 12.296 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.027 -5.881 13.420 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.325 -7.454 12.643 1.00 0.00 H new ATOM 947 N THR A 65 -1.032 -4.347 10.700 1.00 0.00 N ATOM 948 CA THR A 65 -1.847 -3.560 9.781 1.00 0.00 C ATOM 949 C THR A 65 -1.065 -2.377 9.227 1.00 0.00 C ATOM 950 O THR A 65 -1.312 -1.229 9.595 1.00 0.00 O ATOM 951 CB THR A 65 -3.088 -3.046 10.494 1.00 0.00 C ATOM 952 OG1 THR A 65 -3.485 -3.936 11.521 1.00 0.00 O ATOM 953 CG2 THR A 65 -4.271 -2.846 9.572 1.00 0.00 C ATOM 0 H THR A 65 -0.620 -3.812 11.464 1.00 0.00 H new ATOM 0 HA THR A 65 -2.136 -4.208 8.953 1.00 0.00 H new ATOM 0 HB THR A 65 -2.802 -2.077 10.904 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.284 -3.585 11.967 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.122 -2.478 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.013 -2.120 8.801 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.532 -3.795 9.104 1.00 0.00 H new ATOM 961 N LYS A 66 -0.139 -2.662 8.333 1.00 0.00 N ATOM 962 CA LYS A 66 0.665 -1.633 7.713 1.00 0.00 C ATOM 963 C LYS A 66 -0.189 -0.730 6.850 1.00 0.00 C ATOM 964 O LYS A 66 -1.400 -0.920 6.743 1.00 0.00 O ATOM 965 CB LYS A 66 1.771 -2.274 6.895 1.00 0.00 C ATOM 966 CG LYS A 66 3.158 -1.847 7.335 1.00 0.00 C ATOM 967 CD LYS A 66 4.067 -1.632 6.146 1.00 0.00 C ATOM 968 CE LYS A 66 5.308 -0.844 6.526 1.00 0.00 C ATOM 969 NZ LYS A 66 6.331 -0.865 5.445 1.00 0.00 N ATOM 0 H LYS A 66 0.075 -3.608 8.019 1.00 0.00 H new ATOM 0 HA LYS A 66 1.114 -1.017 8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.690 -3.358 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.634 -2.017 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.091 -0.927 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.585 -2.607 7.990 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.361 -2.597 5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.524 -1.102 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.031 0.187 6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.736 -1.258 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.223 -1.247 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.998 -1.465 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.487 0.102 5.096 1.00 0.00 H new ATOM 983 N THR A 67 0.438 0.260 6.260 1.00 0.00 N ATOM 984 CA THR A 67 -0.273 1.213 5.424 1.00 0.00 C ATOM 985 C THR A 67 0.604 1.773 4.310 1.00 0.00 C ATOM 986 O THR A 67 1.766 2.103 4.529 1.00 0.00 O ATOM 987 CB THR A 67 -0.800 2.350 6.306 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.918 1.917 7.060 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.216 3.590 5.545 1.00 0.00 C ATOM 0 H THR A 67 1.440 0.431 6.340 1.00 0.00 H new ATOM 0 HA THR A 67 -1.100 0.692 4.942 1.00 0.00 H new ATOM 0 HB THR A 67 0.042 2.617 6.944 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.984 0.940 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.576 4.343 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.361 3.984 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.012 3.337 4.844 1.00 0.00 H new ATOM 997 N LEU A 68 0.024 1.894 3.121 1.00 0.00 N ATOM 998 CA LEU A 68 0.727 2.435 1.972 1.00 0.00 C ATOM 999 C LEU A 68 0.407 3.920 1.832 1.00 0.00 C ATOM 1000 O LEU A 68 -0.449 4.305 1.040 1.00 0.00 O ATOM 1001 CB LEU A 68 0.310 1.689 0.704 1.00 0.00 C ATOM 1002 CG LEU A 68 1.333 0.685 0.172 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.141 -0.662 0.841 1.00 0.00 C ATOM 1004 CD2 LEU A 68 1.218 0.554 -1.333 1.00 0.00 C ATOM 0 H LEU A 68 -0.940 1.621 2.931 1.00 0.00 H new ATOM 0 HA LEU A 68 1.800 2.310 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.623 1.162 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.103 2.421 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 68 2.333 1.050 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.875 -1.368 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.272 -0.555 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.137 -1.032 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.954 -0.165 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.217 0.209 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.400 1.523 -1.798 1.00 0.00 H new ATOM 1016 N THR A 69 1.086 4.750 2.622 1.00 0.00 N ATOM 1017 CA THR A 69 0.849 6.189 2.594 1.00 0.00 C ATOM 1018 C THR A 69 1.542 6.843 1.405 1.00 0.00 C ATOM 1019 O THR A 69 2.736 7.139 1.454 1.00 0.00 O ATOM 1020 CB THR A 69 1.324 6.830 3.901 1.00 0.00 C ATOM 1021 OG1 THR A 69 0.415 6.557 4.951 1.00 0.00 O ATOM 1022 CG2 THR A 69 1.477 8.337 3.815 1.00 0.00 C ATOM 0 H THR A 69 1.801 4.451 3.286 1.00 0.00 H new ATOM 0 HA THR A 69 -0.224 6.349 2.487 1.00 0.00 H new ATOM 0 HB THR A 69 2.303 6.391 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.573 5.653 5.294 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.816 8.724 4.776 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.208 8.585 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.517 8.786 3.562 1.00 0.00 H new ATOM 1030 N PHE A 70 0.780 7.078 0.344 1.00 0.00 N ATOM 1031 CA PHE A 70 1.308 7.712 -0.844 1.00 0.00 C ATOM 1032 C PHE A 70 1.465 9.209 -0.618 1.00 0.00 C ATOM 1033 O PHE A 70 0.486 9.953 -0.645 1.00 0.00 O ATOM 1034 CB PHE A 70 0.364 7.463 -2.020 1.00 0.00 C ATOM 1035 CG PHE A 70 0.198 6.013 -2.376 1.00 0.00 C ATOM 1036 CD1 PHE A 70 0.899 5.027 -1.698 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.649 5.636 -3.398 1.00 0.00 C ATOM 1038 CE1 PHE A 70 0.751 3.696 -2.036 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -0.802 4.307 -3.741 1.00 0.00 C ATOM 1040 CZ PHE A 70 -0.097 3.336 -3.058 1.00 0.00 C ATOM 0 H PHE A 70 -0.209 6.836 0.288 1.00 0.00 H new ATOM 0 HA PHE A 70 2.287 7.287 -1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.614 7.882 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.738 8.000 -2.892 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.568 5.303 -0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.201 6.392 -3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.301 2.938 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.471 4.028 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.211 2.296 -3.325 1.00 0.00 H new ATOM 1050 N ASP A 71 2.696 9.649 -0.386 1.00 0.00 N ATOM 1051 CA ASP A 71 2.948 11.063 -0.147 1.00 0.00 C ATOM 1052 C ASP A 71 2.729 11.874 -1.409 1.00 0.00 C ATOM 1053 O ASP A 71 3.627 12.037 -2.234 1.00 0.00 O ATOM 1054 CB ASP A 71 4.361 11.277 0.363 1.00 0.00 C ATOM 1055 CG ASP A 71 4.686 12.743 0.571 1.00 0.00 C ATOM 1056 OD1 ASP A 71 4.986 13.431 -0.422 1.00 0.00 O ATOM 1057 OD2 ASP A 71 4.643 13.201 1.731 1.00 0.00 O ATOM 0 H ASP A 71 3.525 9.055 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 71 2.243 11.402 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.489 10.742 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.069 10.848 -0.346 1.00 0.00 H new ATOM 1062 N PHE A 72 1.518 12.376 -1.535 1.00 0.00 N ATOM 1063 CA PHE A 72 1.122 13.186 -2.676 1.00 0.00 C ATOM 1064 C PHE A 72 1.312 14.668 -2.376 1.00 0.00 C ATOM 1065 O PHE A 72 0.676 15.523 -2.991 1.00 0.00 O ATOM 1066 CB PHE A 72 -0.334 12.909 -3.030 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.513 12.198 -4.339 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.176 11.033 -4.610 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -1.376 12.701 -5.295 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.012 10.381 -5.815 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -1.546 12.053 -6.502 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.850 10.894 -6.761 1.00 0.00 C ATOM 0 H PHE A 72 0.776 12.235 -0.849 1.00 0.00 H new ATOM 0 HA PHE A 72 1.754 12.922 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.784 12.311 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.877 13.854 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.851 10.627 -3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.923 13.611 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.558 9.471 -6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.223 12.454 -7.241 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.979 10.386 -7.705 1.00 0.00 H new ATOM 1082 N GLY A 73 2.180 14.966 -1.418 1.00 0.00 N ATOM 1083 CA GLY A 73 2.428 16.346 -1.046 1.00 0.00 C ATOM 1084 C GLY A 73 1.159 17.082 -0.662 1.00 0.00 C ATOM 1085 O GLY A 73 1.146 18.311 -0.577 1.00 0.00 O ATOM 0 H GLY A 73 2.717 14.277 -0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.127 16.373 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.906 16.863 -1.878 1.00 0.00 H new ATOM 1089 N VAL A 74 0.086 16.331 -0.429 1.00 0.00 N ATOM 1090 CA VAL A 74 -1.188 16.921 -0.055 1.00 0.00 C ATOM 1091 C VAL A 74 -1.593 16.500 1.351 1.00 0.00 C ATOM 1092 O VAL A 74 -2.204 17.271 2.089 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.304 16.519 -1.035 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.991 17.026 -2.436 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.495 15.009 -1.039 1.00 0.00 C ATOM 0 H VAL A 74 0.077 15.313 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.057 18.003 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.235 16.979 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.791 16.733 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.909 18.113 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.049 16.596 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.288 14.744 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.567 14.526 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.767 14.674 -0.038 1.00 0.00 H new ATOM 1105 N GLY A 75 -1.244 15.270 1.719 1.00 0.00 N ATOM 1106 CA GLY A 75 -1.580 14.770 3.040 1.00 0.00 C ATOM 1107 C GLY A 75 -3.062 14.532 3.213 1.00 0.00 C ATOM 1108 O GLY A 75 -3.516 13.390 3.296 1.00 0.00 O ATOM 0 H GLY A 75 -0.736 14.613 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.043 13.838 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.240 15.483 3.791 1.00 0.00 H new ATOM 1112 N THR A 76 -3.812 15.615 3.273 1.00 0.00 N ATOM 1113 CA THR A 76 -5.258 15.546 3.441 1.00 0.00 C ATOM 1114 C THR A 76 -5.883 14.579 2.443 1.00 0.00 C ATOM 1115 O THR A 76 -6.450 13.554 2.825 1.00 0.00 O ATOM 1116 CB THR A 76 -5.876 16.934 3.278 1.00 0.00 C ATOM 1117 OG1 THR A 76 -5.313 17.848 4.202 1.00 0.00 O ATOM 1118 CG2 THR A 76 -7.377 16.950 3.476 1.00 0.00 C ATOM 0 H THR A 76 -3.443 16.564 3.208 1.00 0.00 H new ATOM 0 HA THR A 76 -5.462 15.178 4.447 1.00 0.00 H new ATOM 0 HB THR A 76 -5.657 17.225 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.721 18.730 4.079 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.750 17.966 3.346 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.848 16.294 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.615 16.602 4.481 1.00 0.00 H new ATOM 1126 N LYS A 77 -5.785 14.911 1.159 1.00 0.00 N ATOM 1127 CA LYS A 77 -6.345 14.080 0.109 1.00 0.00 C ATOM 1128 C LYS A 77 -5.337 13.040 -0.369 1.00 0.00 C ATOM 1129 O LYS A 77 -5.535 12.402 -1.402 1.00 0.00 O ATOM 1130 CB LYS A 77 -6.806 14.943 -1.062 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.934 15.898 -0.708 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.762 16.258 -1.931 1.00 0.00 C ATOM 1133 CE LYS A 77 -9.968 17.107 -1.556 1.00 0.00 C ATOM 1134 NZ LYS A 77 -9.604 18.201 -0.610 1.00 0.00 N ATOM 0 H LYS A 77 -5.320 15.755 0.824 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.205 13.553 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.958 15.518 -1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.133 14.294 -1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.576 15.442 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.520 16.805 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.142 16.800 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.097 15.347 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.404 17.537 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.731 16.474 -1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.394 18.874 -0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.405 17.797 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.759 18.696 -0.960 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.255 12.877 0.378 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.219 11.915 0.024 1.00 0.00 C ATOM 1150 C ASN A 78 -3.774 10.489 0.056 1.00 0.00 C ATOM 1151 O ASN A 78 -4.236 10.014 1.091 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.019 12.064 0.971 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.732 10.818 1.790 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -1.942 10.797 3.004 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -1.250 9.776 1.130 1.00 0.00 N ATOM 0 H ASN A 78 -4.070 13.399 1.235 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.882 12.117 -0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.134 12.316 0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.202 12.899 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.037 8.911 1.627 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.092 9.838 0.124 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.737 9.786 -1.087 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.243 8.414 -1.186 1.00 0.00 C ATOM 1164 C PRO A 79 -3.403 7.421 -0.389 1.00 0.00 C ATOM 1165 O PRO A 79 -2.369 6.945 -0.858 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.162 8.109 -2.683 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.106 9.023 -3.198 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.205 10.273 -2.370 1.00 0.00 C ATOM 0 HA PRO A 79 -5.248 8.323 -0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.904 7.065 -2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.117 8.290 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.119 8.570 -3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.259 9.241 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.234 10.752 -2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -3.868 11.008 -2.828 1.00 0.00 H new ATOM 1176 N LYS A 80 -3.858 7.117 0.816 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.157 6.178 1.683 1.00 0.00 C ATOM 1178 C LYS A 80 -3.961 4.895 1.849 1.00 0.00 C ATOM 1179 O LYS A 80 -5.179 4.933 2.032 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.900 6.810 3.052 1.00 0.00 C ATOM 1181 CG LYS A 80 -2.354 5.835 4.082 1.00 0.00 C ATOM 1182 CD LYS A 80 -2.429 6.411 5.488 1.00 0.00 C ATOM 1183 CE LYS A 80 -3.530 5.749 6.302 1.00 0.00 C ATOM 1184 NZ LYS A 80 -4.430 6.750 6.935 1.00 0.00 N ATOM 0 H LYS A 80 -4.711 7.506 1.218 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.202 5.934 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.196 7.634 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.831 7.237 3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.919 4.904 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.319 5.592 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.471 6.274 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.610 7.484 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.114 5.093 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.084 5.122 7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.167 6.259 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.878 7.361 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.876 7.332 6.197 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.276 3.760 1.785 1.00 0.00 N ATOM 1199 CA LEU A 81 -3.923 2.467 1.932 1.00 0.00 C ATOM 1200 C LEU A 81 -3.463 1.771 3.207 1.00 0.00 C ATOM 1201 O LEU A 81 -2.437 2.124 3.781 1.00 0.00 O ATOM 1202 CB LEU A 81 -3.644 1.577 0.716 1.00 0.00 C ATOM 1203 CG LEU A 81 -2.685 2.168 -0.313 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.138 1.077 -1.218 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -3.386 3.242 -1.133 1.00 0.00 C ATOM 0 H LEU A 81 -2.269 3.711 1.632 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.997 2.638 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.237 0.628 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.590 1.356 0.223 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.849 2.627 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.456 1.516 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.604 0.341 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.962 0.591 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.690 3.655 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.239 2.805 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.732 4.037 -0.472 1.00 0.00 H new ATOM 1217 N THR A 82 -4.233 0.784 3.649 1.00 0.00 N ATOM 1218 CA THR A 82 -3.901 0.049 4.865 1.00 0.00 C ATOM 1219 C THR A 82 -3.671 -1.433 4.583 1.00 0.00 C ATOM 1220 O THR A 82 -4.617 -2.179 4.333 1.00 0.00 O ATOM 1221 CB THR A 82 -5.013 0.210 5.901 1.00 0.00 C ATOM 1222 OG1 THR A 82 -5.811 1.341 5.607 1.00 0.00 O ATOM 1223 CG2 THR A 82 -4.499 0.365 7.316 1.00 0.00 C ATOM 0 H THR A 82 -5.088 0.475 3.187 1.00 0.00 H new ATOM 0 HA THR A 82 -2.974 0.466 5.257 1.00 0.00 H new ATOM 0 HB THR A 82 -5.595 -0.710 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.193 1.248 4.709 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.341 0.475 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.921 -0.517 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.864 1.249 7.378 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.408 -1.854 4.636 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.054 -3.251 4.400 1.00 0.00 C ATOM 1233 C ILE A 83 -2.194 -4.069 5.681 1.00 0.00 C ATOM 1234 O ILE A 83 -1.430 -3.881 6.630 1.00 0.00 O ATOM 1235 CB ILE A 83 -0.608 -3.384 3.880 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -0.389 -2.491 2.652 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.287 -4.840 3.564 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -0.801 -3.127 1.337 1.00 0.00 C ATOM 0 H ILE A 83 -1.614 -1.247 4.840 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.741 -3.632 3.644 1.00 0.00 H new ATOM 0 HB ILE A 83 0.073 -3.049 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.949 -1.565 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.666 -2.221 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.737 -4.916 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.395 -5.441 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.973 -5.206 2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.613 -2.429 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.223 -4.037 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.863 -3.372 1.368 1.00 0.00 H new ATOM 1250 N THR A 84 -3.169 -4.973 5.708 1.00 0.00 N ATOM 1251 CA THR A 84 -3.396 -5.806 6.880 1.00 0.00 C ATOM 1252 C THR A 84 -2.719 -7.163 6.729 1.00 0.00 C ATOM 1253 O THR A 84 -3.258 -8.074 6.103 1.00 0.00 O ATOM 1254 CB THR A 84 -4.898 -5.986 7.116 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.463 -4.811 7.668 1.00 0.00 O ATOM 1256 CG2 THR A 84 -5.233 -7.136 8.046 1.00 0.00 C ATOM 0 H THR A 84 -3.811 -5.145 4.934 1.00 0.00 H new ATOM 0 HA THR A 84 -2.958 -5.305 7.743 1.00 0.00 H new ATOM 0 HB THR A 84 -5.316 -6.205 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.067 -4.024 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.314 -7.203 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.856 -8.067 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.769 -6.965 9.018 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.530 -7.291 7.311 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.781 -8.535 7.249 1.00 0.00 C ATOM 1266 C VAL A 85 -1.212 -9.484 8.358 1.00 0.00 C ATOM 1267 O VAL A 85 -1.313 -9.089 9.518 1.00 0.00 O ATOM 1268 CB VAL A 85 0.727 -8.294 7.371 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.494 -9.596 7.208 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.187 -7.258 6.358 1.00 0.00 C ATOM 0 H VAL A 85 -1.067 -6.545 7.831 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.993 -8.980 6.277 1.00 0.00 H new ATOM 0 HB VAL A 85 0.934 -7.905 8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.563 -9.402 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.186 -10.299 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.284 -10.022 6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.261 -7.101 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.966 -7.611 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.664 -6.318 6.536 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.466 -10.732 7.986 1.00 0.00 N ATOM 1281 CA LEU A 86 -1.890 -11.742 8.945 1.00 0.00 C ATOM 1282 C LEU A 86 -0.759 -12.726 9.236 1.00 0.00 C ATOM 1283 O LEU A 86 0.212 -12.803 8.489 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.117 -12.493 8.421 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.463 -11.926 8.876 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -5.381 -11.712 7.683 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -5.113 -12.853 9.892 1.00 0.00 C ATOM 0 H LEU A 86 -1.386 -11.068 7.026 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.154 -11.236 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.088 -12.491 7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.051 -13.533 8.739 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.289 -10.961 9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.334 -11.308 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.918 -11.011 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.550 -12.663 7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.070 -12.435 10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.275 -13.832 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.461 -12.957 10.759 1.00 0.00 H new