USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 819 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 1 GLY N :NH3+ -111:sc= 0.0729 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 1.31 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -129:sc= 0.962 USER MOD Single : A 17 GLN : amide:sc=-0.00211 K(o=-0.0021,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.864 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.928 USER MOD Single : A 28 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.6) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 32 SER OG : rot 170:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.309 F(o=-1.4,f=-0.31) USER MOD Single : A 45 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 130:sc= -1.54 USER MOD Single : A 53 ASN : amide:sc= -1 K(o=-1,f=-7.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 10:sc= -0.104 USER MOD Single : A 59 MET CE :methyl -151:sc= -0.289 (180deg=-1.11) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 44:sc= 0.00204 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc=-0.00999 X(o=-0.01,f=-0.16) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 140:sc= -0.274 (180deg=-1.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.391 -19.097 -1.621 1.00 0.00 N ATOM 2 CA GLY A 1 4.103 -19.421 -1.037 1.00 0.00 C ATOM 3 C GLY A 1 3.092 -19.870 -2.073 1.00 0.00 C ATOM 4 O GLY A 1 3.391 -19.905 -3.267 1.00 0.00 O ATOM 0 H1 GLY A 1 6.093 -19.807 -1.329 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.311 -19.095 -2.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.693 -18.157 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.232 -20.209 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.716 -18.548 -0.511 1.00 0.00 H new ATOM 8 N SER A 2 1.892 -20.216 -1.617 1.00 0.00 N ATOM 9 CA SER A 2 0.836 -20.670 -2.513 1.00 0.00 C ATOM 10 C SER A 2 -0.537 -20.273 -1.979 1.00 0.00 C ATOM 11 O SER A 2 -0.825 -20.434 -0.793 1.00 0.00 O ATOM 12 CB SER A 2 0.907 -22.188 -2.691 1.00 0.00 C ATOM 13 OG SER A 2 0.671 -22.857 -1.465 1.00 0.00 O ATOM 0 H SER A 2 1.627 -20.190 -0.632 1.00 0.00 H new ATOM 0 HA SER A 2 0.983 -20.190 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.171 -22.505 -3.430 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.887 -22.466 -3.078 1.00 0.00 H new ATOM 0 HG SER A 2 0.720 -23.826 -1.606 1.00 0.00 H new ATOM 19 N SER A 3 -1.382 -19.753 -2.864 1.00 0.00 N ATOM 20 CA SER A 3 -2.724 -19.329 -2.483 1.00 0.00 C ATOM 21 C SER A 3 -3.771 -19.946 -3.405 1.00 0.00 C ATOM 22 O SER A 3 -3.475 -20.312 -4.542 1.00 0.00 O ATOM 23 CB SER A 3 -2.829 -17.803 -2.521 1.00 0.00 C ATOM 24 OG SER A 3 -2.381 -17.231 -1.305 1.00 0.00 O ATOM 0 H SER A 3 -1.161 -19.615 -3.850 1.00 0.00 H new ATOM 0 HA SER A 3 -2.913 -19.674 -1.466 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.236 -17.415 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.863 -17.511 -2.705 1.00 0.00 H new ATOM 0 HG SER A 3 -2.456 -16.255 -1.355 1.00 0.00 H new ATOM 30 N GLY A 4 -4.998 -20.058 -2.905 1.00 0.00 N ATOM 31 CA GLY A 4 -6.072 -20.630 -3.696 1.00 0.00 C ATOM 32 C GLY A 4 -7.407 -19.963 -3.431 1.00 0.00 C ATOM 33 O GLY A 4 -7.458 -18.815 -2.990 1.00 0.00 O ATOM 0 H GLY A 4 -5.267 -19.763 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.828 -20.539 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.152 -21.695 -3.478 1.00 0.00 H new ATOM 37 N SER A 5 -8.491 -20.684 -3.701 1.00 0.00 N ATOM 38 CA SER A 5 -9.833 -20.153 -3.494 1.00 0.00 C ATOM 39 C SER A 5 -10.394 -20.603 -2.148 1.00 0.00 C ATOM 40 O SER A 5 -11.168 -21.557 -2.074 1.00 0.00 O ATOM 41 CB SER A 5 -10.762 -20.603 -4.623 1.00 0.00 C ATOM 42 OG SER A 5 -10.694 -19.714 -5.724 1.00 0.00 O ATOM 0 H SER A 5 -8.466 -21.637 -4.063 1.00 0.00 H new ATOM 0 HA SER A 5 -9.771 -19.065 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.488 -21.608 -4.945 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.787 -20.655 -4.256 1.00 0.00 H new ATOM 0 HG SER A 5 -11.295 -20.024 -6.433 1.00 0.00 H new ATOM 48 N SER A 6 -9.996 -19.909 -1.087 1.00 0.00 N ATOM 49 CA SER A 6 -10.455 -20.239 0.258 1.00 0.00 C ATOM 50 C SER A 6 -10.041 -19.159 1.253 1.00 0.00 C ATOM 51 O SER A 6 -9.256 -18.269 0.930 1.00 0.00 O ATOM 52 CB SER A 6 -9.892 -21.593 0.694 1.00 0.00 C ATOM 53 OG SER A 6 -10.737 -22.654 0.280 1.00 0.00 O ATOM 0 H SER A 6 -9.357 -19.115 -1.132 1.00 0.00 H new ATOM 0 HA SER A 6 -11.543 -20.295 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.897 -21.730 0.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.783 -21.613 1.778 1.00 0.00 H new ATOM 0 HG SER A 6 -11.159 -22.422 -0.573 1.00 0.00 H new ATOM 59 N GLY A 7 -10.576 -19.246 2.467 1.00 0.00 N ATOM 60 CA GLY A 7 -10.252 -18.272 3.492 1.00 0.00 C ATOM 61 C GLY A 7 -11.487 -17.684 4.146 1.00 0.00 C ATOM 62 O GLY A 7 -11.669 -16.466 4.162 1.00 0.00 O ATOM 0 H GLY A 7 -11.228 -19.974 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.631 -18.744 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.661 -17.469 3.052 1.00 0.00 H new ATOM 66 N ARG A 8 -12.339 -18.551 4.683 1.00 0.00 N ATOM 67 CA ARG A 8 -13.565 -18.111 5.338 1.00 0.00 C ATOM 68 C ARG A 8 -13.491 -18.344 6.844 1.00 0.00 C ATOM 69 O ARG A 8 -13.602 -19.477 7.313 1.00 0.00 O ATOM 70 CB ARG A 8 -14.772 -18.848 4.755 1.00 0.00 C ATOM 71 CG ARG A 8 -16.072 -18.564 5.491 1.00 0.00 C ATOM 72 CD ARG A 8 -17.150 -19.572 5.125 1.00 0.00 C ATOM 73 NE ARG A 8 -17.130 -20.738 6.005 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.741 -21.883 5.722 1.00 0.00 C ATOM 75 NH1 ARG A 8 -18.416 -22.015 4.588 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.678 -22.898 6.574 1.00 0.00 N ATOM 0 H ARG A 8 -12.203 -19.562 4.677 1.00 0.00 H new ATOM 0 HA ARG A 8 -13.680 -17.042 5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.888 -18.567 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.578 -19.920 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.896 -18.592 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.416 -17.558 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -18.128 -19.093 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -17.010 -19.894 4.093 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.619 -20.669 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.467 -21.236 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.884 -22.895 4.373 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.160 -22.799 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.148 -23.777 6.356 1.00 0.00 H new ATOM 90 N ASP A 9 -13.302 -17.266 7.596 1.00 0.00 N ATOM 91 CA ASP A 9 -13.214 -17.353 9.049 1.00 0.00 C ATOM 92 C ASP A 9 -14.303 -16.514 9.711 1.00 0.00 C ATOM 93 O ASP A 9 -14.977 -15.723 9.052 1.00 0.00 O ATOM 94 CB ASP A 9 -11.836 -16.890 9.526 1.00 0.00 C ATOM 95 CG ASP A 9 -11.451 -15.539 8.959 1.00 0.00 C ATOM 96 OD1 ASP A 9 -12.152 -14.549 9.256 1.00 0.00 O ATOM 97 OD2 ASP A 9 -10.448 -15.470 8.217 1.00 0.00 O ATOM 0 H ASP A 9 -13.207 -16.321 7.224 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.359 -18.395 9.335 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.830 -16.839 10.615 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.088 -17.628 9.237 1.00 0.00 H new ATOM 102 N ARG A 10 -14.470 -16.695 11.017 1.00 0.00 N ATOM 103 CA ARG A 10 -15.479 -15.957 11.767 1.00 0.00 C ATOM 104 C ARG A 10 -15.207 -14.456 11.714 1.00 0.00 C ATOM 105 O ARG A 10 -14.285 -14.007 11.034 1.00 0.00 O ATOM 106 CB ARG A 10 -15.510 -16.429 13.222 1.00 0.00 C ATOM 107 CG ARG A 10 -16.268 -17.731 13.424 1.00 0.00 C ATOM 108 CD ARG A 10 -15.484 -18.920 12.893 1.00 0.00 C ATOM 109 NE ARG A 10 -15.985 -20.186 13.421 1.00 0.00 N ATOM 110 CZ ARG A 10 -15.689 -20.646 14.631 1.00 0.00 C ATOM 111 NH1 ARG A 10 -14.899 -19.948 15.434 1.00 0.00 N ATOM 112 NH2 ARG A 10 -16.184 -21.808 15.040 1.00 0.00 N ATOM 0 H ARG A 10 -13.920 -17.346 11.577 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.449 -16.149 11.309 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -14.487 -16.555 13.576 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.967 -15.653 13.837 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -16.473 -17.873 14.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.232 -17.674 12.918 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.540 -18.934 11.805 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.432 -18.808 13.157 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.596 -20.748 12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.517 -19.055 15.123 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.673 -20.304 16.363 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.792 -22.348 14.425 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.956 -22.161 15.970 1.00 0.00 H new ATOM 126 N SER A 11 -16.016 -13.687 12.435 1.00 0.00 N ATOM 127 CA SER A 11 -15.865 -12.237 12.467 1.00 0.00 C ATOM 128 C SER A 11 -14.436 -11.847 12.830 1.00 0.00 C ATOM 129 O SER A 11 -13.925 -12.225 13.885 1.00 0.00 O ATOM 130 CB SER A 11 -16.844 -11.623 13.469 1.00 0.00 C ATOM 131 OG SER A 11 -16.753 -10.209 13.471 1.00 0.00 O ATOM 0 H SER A 11 -16.783 -14.044 13.005 1.00 0.00 H new ATOM 0 HA SER A 11 -16.086 -11.852 11.472 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.861 -11.925 13.219 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.634 -12.005 14.468 1.00 0.00 H new ATOM 0 HG SER A 11 -17.390 -9.841 14.118 1.00 0.00 H new ATOM 137 N THR A 12 -13.794 -11.087 11.948 1.00 0.00 N ATOM 138 CA THR A 12 -12.423 -10.646 12.173 1.00 0.00 C ATOM 139 C THR A 12 -12.128 -9.359 11.413 1.00 0.00 C ATOM 140 O THR A 12 -12.258 -9.306 10.189 1.00 0.00 O ATOM 141 CB THR A 12 -11.409 -11.725 11.748 1.00 0.00 C ATOM 142 OG1 THR A 12 -11.758 -12.245 10.461 1.00 0.00 O ATOM 143 CG2 THR A 12 -11.365 -12.856 12.764 1.00 0.00 C ATOM 0 H THR A 12 -14.202 -10.764 11.071 1.00 0.00 H new ATOM 0 HA THR A 12 -12.321 -10.464 13.243 1.00 0.00 H new ATOM 0 HB THR A 12 -10.422 -11.265 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.783 -13.224 10.500 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.642 -13.606 12.443 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.070 -12.461 13.736 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.351 -13.313 12.843 1.00 0.00 H new ATOM 151 N ILE A 13 -11.729 -8.323 12.143 1.00 0.00 N ATOM 152 CA ILE A 13 -11.414 -7.036 11.536 1.00 0.00 C ATOM 153 C ILE A 13 -9.938 -6.694 11.709 1.00 0.00 C ATOM 154 O ILE A 13 -9.291 -7.151 12.651 1.00 0.00 O ATOM 155 CB ILE A 13 -12.266 -5.905 12.140 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.752 -6.265 12.076 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.001 -4.596 11.411 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.324 -6.221 10.676 1.00 0.00 C ATOM 0 H ILE A 13 -11.616 -8.350 13.156 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.642 -7.123 10.474 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.987 -5.779 13.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.893 -7.265 12.486 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.312 -5.578 12.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.611 -3.806 11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.947 -4.335 11.504 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.256 -4.708 10.357 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.381 -6.487 10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.214 -5.216 10.270 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.790 -6.929 10.042 1.00 0.00 H new ATOM 170 N ALA A 14 -9.412 -5.885 10.795 1.00 0.00 N ATOM 171 CA ALA A 14 -8.014 -5.478 10.848 1.00 0.00 C ATOM 172 C ALA A 14 -7.883 -3.959 10.820 1.00 0.00 C ATOM 173 O ALA A 14 -8.374 -3.301 9.902 1.00 0.00 O ATOM 174 CB ALA A 14 -7.239 -6.098 9.695 1.00 0.00 C ATOM 0 H ALA A 14 -9.934 -5.499 10.008 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.593 -5.836 11.788 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.196 -5.785 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.296 -7.185 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.669 -5.769 8.749 1.00 0.00 H new ATOM 180 N ARG A 15 -7.219 -3.408 11.831 1.00 0.00 N ATOM 181 CA ARG A 15 -7.026 -1.966 11.922 1.00 0.00 C ATOM 182 C ARG A 15 -5.786 -1.533 11.145 1.00 0.00 C ATOM 183 O ARG A 15 -4.661 -1.881 11.508 1.00 0.00 O ATOM 184 CB ARG A 15 -6.899 -1.538 13.385 1.00 0.00 C ATOM 185 CG ARG A 15 -7.493 -0.169 13.673 1.00 0.00 C ATOM 186 CD ARG A 15 -8.929 -0.277 14.162 1.00 0.00 C ATOM 187 NE ARG A 15 -9.033 -1.067 15.386 1.00 0.00 N ATOM 188 CZ ARG A 15 -10.038 -0.958 16.248 1.00 0.00 C ATOM 189 NH1 ARG A 15 -11.019 -0.096 16.022 1.00 0.00 N ATOM 190 NH2 ARG A 15 -10.062 -1.712 17.340 1.00 0.00 N ATOM 0 H ARG A 15 -6.806 -3.938 12.598 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.897 -1.480 11.483 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.392 -2.278 14.015 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.845 -1.533 13.663 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.889 0.340 14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.460 0.441 12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.327 0.722 14.340 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.543 -0.731 13.384 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.294 -1.739 15.590 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.004 0.486 15.184 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.789 -0.015 16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.308 -2.376 17.518 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.834 -1.628 18.001 1.00 0.00 H new ATOM 204 N ILE A 16 -5.998 -0.774 10.075 1.00 0.00 N ATOM 205 CA ILE A 16 -4.898 -0.295 9.249 1.00 0.00 C ATOM 206 C ILE A 16 -4.948 1.221 9.093 1.00 0.00 C ATOM 207 O ILE A 16 -5.758 1.750 8.332 1.00 0.00 O ATOM 208 CB ILE A 16 -4.919 -0.944 7.852 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.246 -2.434 7.963 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.582 -0.740 7.154 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.145 -3.249 8.606 1.00 0.00 C ATOM 0 H ILE A 16 -6.922 -0.478 9.760 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.976 -0.576 9.758 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.695 -0.465 7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.161 -2.554 8.542 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.445 -2.829 6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.612 -1.204 6.168 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.386 0.327 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.789 -1.197 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.446 -4.296 8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.233 -3.159 8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.961 -2.880 9.615 1.00 0.00 H new ATOM 223 N GLN A 17 -4.076 1.914 9.818 1.00 0.00 N ATOM 224 CA GLN A 17 -4.020 3.370 9.759 1.00 0.00 C ATOM 225 C GLN A 17 -3.125 3.835 8.616 1.00 0.00 C ATOM 226 O GLN A 17 -2.064 3.260 8.371 1.00 0.00 O ATOM 227 CB GLN A 17 -3.509 3.936 11.085 1.00 0.00 C ATOM 228 CG GLN A 17 -3.318 5.444 11.070 1.00 0.00 C ATOM 229 CD GLN A 17 -3.226 6.035 12.463 1.00 0.00 C ATOM 230 OE1 GLN A 17 -3.158 5.308 13.455 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.222 7.360 12.546 1.00 0.00 N ATOM 0 H GLN A 17 -3.399 1.491 10.453 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.029 3.740 9.579 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.211 3.675 11.877 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.560 3.460 11.332 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.411 5.686 10.516 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.149 5.906 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.280 7.924 11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.161 7.814 13.457 1.00 0.00 H new ATOM 240 N PHE A 18 -3.559 4.879 7.917 1.00 0.00 N ATOM 241 CA PHE A 18 -2.797 5.420 6.798 1.00 0.00 C ATOM 242 C PHE A 18 -2.345 6.848 7.088 1.00 0.00 C ATOM 243 O PHE A 18 -3.147 7.782 7.063 1.00 0.00 O ATOM 244 CB PHE A 18 -3.637 5.389 5.519 1.00 0.00 C ATOM 245 CG PHE A 18 -4.053 4.006 5.109 1.00 0.00 C ATOM 246 CD1 PHE A 18 -3.203 3.205 4.363 1.00 0.00 C ATOM 247 CD2 PHE A 18 -5.294 3.505 5.470 1.00 0.00 C ATOM 248 CE1 PHE A 18 -3.584 1.932 3.984 1.00 0.00 C ATOM 249 CE2 PHE A 18 -5.680 2.233 5.094 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.824 1.444 4.350 1.00 0.00 C ATOM 0 H PHE A 18 -4.435 5.367 8.106 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.912 4.799 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.528 6.000 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.067 5.844 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.232 3.580 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.967 4.117 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.913 1.318 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.650 1.856 5.381 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.123 0.449 4.055 1.00 0.00 H new ATOM 260 N ARG A 19 -1.054 7.010 7.363 1.00 0.00 N ATOM 261 CA ARG A 19 -0.495 8.323 7.660 1.00 0.00 C ATOM 262 C ARG A 19 -0.083 9.041 6.378 1.00 0.00 C ATOM 263 O ARG A 19 0.484 8.434 5.469 1.00 0.00 O ATOM 264 CB ARG A 19 0.711 8.188 8.591 1.00 0.00 C ATOM 265 CG ARG A 19 0.393 7.490 9.903 1.00 0.00 C ATOM 266 CD ARG A 19 1.541 7.613 10.893 1.00 0.00 C ATOM 267 NE ARG A 19 1.107 7.379 12.267 1.00 0.00 N ATOM 268 CZ ARG A 19 0.563 8.317 13.035 1.00 0.00 C ATOM 269 NH1 ARG A 19 0.387 9.544 12.565 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.193 8.027 14.276 1.00 0.00 N ATOM 0 H ARG A 19 -0.376 6.248 7.386 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.265 8.914 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.497 7.635 8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.108 9.181 8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.510 7.921 10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.185 6.437 9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.322 6.898 10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.981 8.607 10.816 1.00 0.00 H new ATOM 0 HE ARG A 19 1.228 6.445 12.659 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.669 9.770 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.031 10.262 13.157 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.326 7.084 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.225 8.747 14.865 1.00 0.00 H new ATOM 284 N LEU A 20 -0.374 10.335 6.312 1.00 0.00 N ATOM 285 CA LEU A 20 -0.035 11.137 5.141 1.00 0.00 C ATOM 286 C LEU A 20 1.039 12.166 5.478 1.00 0.00 C ATOM 287 O LEU A 20 1.188 12.591 6.624 1.00 0.00 O ATOM 288 CB LEU A 20 -1.281 11.841 4.603 1.00 0.00 C ATOM 289 CG LEU A 20 -2.343 10.939 3.972 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.580 11.744 3.607 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.783 10.233 2.746 1.00 0.00 C ATOM 0 H LEU A 20 -0.844 10.852 7.055 1.00 0.00 H new ATOM 0 HA LEU A 20 0.357 10.468 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.743 12.394 5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.967 12.574 3.859 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.630 10.183 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.324 11.085 3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.994 12.202 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.310 12.523 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.552 9.596 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.467 10.974 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.928 9.623 3.036 1.00 0.00 H new ATOM 303 N PRO A 21 1.804 12.579 4.457 1.00 0.00 N ATOM 304 CA PRO A 21 2.876 13.566 4.620 1.00 0.00 C ATOM 305 C PRO A 21 2.339 14.963 4.911 1.00 0.00 C ATOM 306 O PRO A 21 3.057 15.821 5.423 1.00 0.00 O ATOM 307 CB PRO A 21 3.592 13.539 3.267 1.00 0.00 C ATOM 308 CG PRO A 21 2.559 13.069 2.302 1.00 0.00 C ATOM 309 CD PRO A 21 1.682 12.115 3.065 1.00 0.00 C ATOM 0 HA PRO A 21 3.523 13.329 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.966 14.527 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.450 12.868 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.979 13.906 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.020 12.576 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.649 12.153 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.018 11.084 2.954 1.00 0.00 H new ATOM 317 N ASP A 22 1.071 15.185 4.580 1.00 0.00 N ATOM 318 CA ASP A 22 0.437 16.478 4.807 1.00 0.00 C ATOM 319 C ASP A 22 0.233 16.729 6.298 1.00 0.00 C ATOM 320 O ASP A 22 0.678 17.744 6.833 1.00 0.00 O ATOM 321 CB ASP A 22 -0.906 16.546 4.078 1.00 0.00 C ATOM 322 CG ASP A 22 -1.511 17.936 4.108 1.00 0.00 C ATOM 323 OD1 ASP A 22 -1.576 18.531 5.204 1.00 0.00 O ATOM 324 OD2 ASP A 22 -1.919 18.428 3.036 1.00 0.00 O ATOM 0 H ASP A 22 0.463 14.486 4.154 1.00 0.00 H new ATOM 0 HA ASP A 22 1.096 17.252 4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.770 16.234 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.600 15.841 4.535 1.00 0.00 H new ATOM 329 N GLY A 23 -0.444 15.798 6.963 1.00 0.00 N ATOM 330 CA GLY A 23 -0.696 15.937 8.385 1.00 0.00 C ATOM 331 C GLY A 23 -1.832 15.055 8.862 1.00 0.00 C ATOM 332 O GLY A 23 -1.743 14.435 9.922 1.00 0.00 O ATOM 0 H GLY A 23 -0.823 14.950 6.542 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.210 15.687 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.930 16.978 8.609 1.00 0.00 H new ATOM 336 N SER A 24 -2.905 14.999 8.079 1.00 0.00 N ATOM 337 CA SER A 24 -4.066 14.190 8.430 1.00 0.00 C ATOM 338 C SER A 24 -3.833 12.724 8.079 1.00 0.00 C ATOM 339 O SER A 24 -3.014 12.403 7.218 1.00 0.00 O ATOM 340 CB SER A 24 -5.312 14.708 7.709 1.00 0.00 C ATOM 341 OG SER A 24 -5.890 15.796 8.407 1.00 0.00 O ATOM 0 H SER A 24 -2.994 15.504 7.197 1.00 0.00 H new ATOM 0 HA SER A 24 -4.220 14.267 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.048 15.019 6.698 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.042 13.904 7.614 1.00 0.00 H new ATOM 0 HG SER A 24 -6.683 16.110 7.925 1.00 0.00 H new ATOM 347 N SER A 25 -4.561 11.838 8.751 1.00 0.00 N ATOM 348 CA SER A 25 -4.432 10.405 8.514 1.00 0.00 C ATOM 349 C SER A 25 -5.791 9.717 8.590 1.00 0.00 C ATOM 350 O SER A 25 -6.660 10.118 9.364 1.00 0.00 O ATOM 351 CB SER A 25 -3.474 9.781 9.532 1.00 0.00 C ATOM 352 OG SER A 25 -2.217 10.435 9.515 1.00 0.00 O ATOM 0 H SER A 25 -5.246 12.087 9.464 1.00 0.00 H new ATOM 0 HA SER A 25 -4.028 10.263 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.907 9.844 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.340 8.722 9.309 1.00 0.00 H new ATOM 0 HG SER A 25 -1.623 10.020 10.175 1.00 0.00 H new ATOM 358 N PHE A 26 -5.968 8.678 7.780 1.00 0.00 N ATOM 359 CA PHE A 26 -7.222 7.934 7.754 1.00 0.00 C ATOM 360 C PHE A 26 -6.977 6.447 7.993 1.00 0.00 C ATOM 361 O PHE A 26 -6.062 5.855 7.418 1.00 0.00 O ATOM 362 CB PHE A 26 -7.932 8.136 6.414 1.00 0.00 C ATOM 363 CG PHE A 26 -7.079 7.795 5.226 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.796 6.474 4.916 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.559 8.795 4.420 1.00 0.00 C ATOM 366 CE1 PHE A 26 -6.011 6.157 3.823 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.775 8.483 3.325 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.499 7.163 3.028 1.00 0.00 C ATOM 0 H PHE A 26 -5.259 8.332 7.133 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.857 8.313 8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.832 7.522 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.253 9.175 6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.193 5.683 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.768 9.829 4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.799 5.124 3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.379 9.271 2.702 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.884 6.918 2.175 1.00 0.00 H new ATOM 378 N THR A 27 -7.800 5.847 8.847 1.00 0.00 N ATOM 379 CA THR A 27 -7.673 4.430 9.165 1.00 0.00 C ATOM 380 C THR A 27 -8.925 3.661 8.758 1.00 0.00 C ATOM 381 O THR A 27 -9.973 3.784 9.390 1.00 0.00 O ATOM 382 CB THR A 27 -7.416 4.212 10.668 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.293 4.992 11.091 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.160 2.742 10.965 1.00 0.00 C ATOM 0 H THR A 27 -8.562 6.321 9.331 1.00 0.00 H new ATOM 0 HA THR A 27 -6.820 4.055 8.600 1.00 0.00 H new ATOM 0 HB THR A 27 -8.304 4.528 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.137 4.849 12.048 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.981 2.612 12.032 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.029 2.154 10.669 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.286 2.405 10.407 1.00 0.00 H new ATOM 392 N ASN A 28 -8.808 2.867 7.698 1.00 0.00 N ATOM 393 CA ASN A 28 -9.931 2.077 7.207 1.00 0.00 C ATOM 394 C ASN A 28 -10.068 0.778 7.995 1.00 0.00 C ATOM 395 O ASN A 28 -9.357 0.557 8.975 1.00 0.00 O ATOM 396 CB ASN A 28 -9.753 1.769 5.719 1.00 0.00 C ATOM 397 CG ASN A 28 -11.074 1.517 5.019 1.00 0.00 C ATOM 398 OD1 ASN A 28 -11.890 2.425 4.864 1.00 0.00 O ATOM 399 ND2 ASN A 28 -11.290 0.278 4.591 1.00 0.00 N ATOM 0 H ASN A 28 -7.947 2.754 7.163 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.841 2.661 7.343 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.243 2.603 5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.112 0.894 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.161 0.048 4.112 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.585 -0.444 4.741 1.00 0.00 H new ATOM 406 N GLN A 29 -10.987 -0.078 7.559 1.00 0.00 N ATOM 407 CA GLN A 29 -11.217 -1.355 8.224 1.00 0.00 C ATOM 408 C GLN A 29 -11.210 -2.501 7.217 1.00 0.00 C ATOM 409 O GLN A 29 -12.107 -2.612 6.381 1.00 0.00 O ATOM 410 CB GLN A 29 -12.548 -1.330 8.977 1.00 0.00 C ATOM 411 CG GLN A 29 -12.430 -0.814 10.403 1.00 0.00 C ATOM 412 CD GLN A 29 -13.777 -0.505 11.024 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.369 -1.497 11.680 1.00 0.00 O flip ATOM 414 NE2 GLN A 29 -14.281 0.613 10.917 1.00 0.00 N flip ATOM 0 H GLN A 29 -11.584 0.090 6.749 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.408 -1.516 8.937 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.254 -0.705 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.964 -2.337 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.915 -1.556 11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.816 0.086 10.410 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.791 1.346 10.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.188 0.806 11.341 1.00 0.00 H new ATOM 423 N PHE A 30 -10.193 -3.352 7.303 1.00 0.00 N ATOM 424 CA PHE A 30 -10.069 -4.490 6.399 1.00 0.00 C ATOM 425 C PHE A 30 -10.058 -5.803 7.176 1.00 0.00 C ATOM 426 O PHE A 30 -9.659 -5.862 8.339 1.00 0.00 O ATOM 427 CB PHE A 30 -8.793 -4.368 5.564 1.00 0.00 C ATOM 428 CG PHE A 30 -8.576 -2.993 4.998 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.162 -2.623 3.798 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.787 -2.071 5.667 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.964 -1.359 3.275 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.586 -0.806 5.149 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.175 -0.449 3.951 1.00 0.00 C ATOM 0 H PHE A 30 -9.443 -3.275 7.990 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.932 -4.489 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.937 -4.637 6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.834 -5.087 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.780 -3.330 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.324 -2.344 6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.426 -1.083 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.969 -0.097 5.680 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.019 0.539 3.544 1.00 0.00 H new ATOM 443 N PRO A 31 -10.508 -6.882 6.519 1.00 0.00 N ATOM 444 CA PRO A 31 -10.561 -8.215 7.128 1.00 0.00 C ATOM 445 C PRO A 31 -9.173 -8.806 7.348 1.00 0.00 C ATOM 446 O PRO A 31 -8.369 -8.890 6.420 1.00 0.00 O ATOM 447 CB PRO A 31 -11.339 -9.043 6.102 1.00 0.00 C ATOM 448 CG PRO A 31 -11.111 -8.348 4.803 1.00 0.00 C ATOM 449 CD PRO A 31 -11.000 -6.885 5.131 1.00 0.00 C ATOM 0 HA PRO A 31 -11.021 -8.194 8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.980 -10.072 6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.400 -9.084 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.203 -8.710 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.934 -8.532 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.310 -6.374 4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.962 -6.380 5.045 1.00 0.00 H new ATOM 457 N SER A 32 -8.899 -9.216 8.582 1.00 0.00 N ATOM 458 CA SER A 32 -7.606 -9.798 8.925 1.00 0.00 C ATOM 459 C SER A 32 -7.100 -10.698 7.802 1.00 0.00 C ATOM 460 O SER A 32 -5.895 -10.884 7.636 1.00 0.00 O ATOM 461 CB SER A 32 -7.711 -10.596 10.226 1.00 0.00 C ATOM 462 OG SER A 32 -7.402 -9.786 11.347 1.00 0.00 O ATOM 0 H SER A 32 -9.555 -9.156 9.361 1.00 0.00 H new ATOM 0 HA SER A 32 -6.894 -8.984 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.719 -10.997 10.330 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.031 -11.447 10.190 1.00 0.00 H new ATOM 0 HG SER A 32 -7.630 -10.266 12.170 1.00 0.00 H new ATOM 468 N ASP A 33 -8.031 -11.254 7.034 1.00 0.00 N ATOM 469 CA ASP A 33 -7.681 -12.135 5.926 1.00 0.00 C ATOM 470 C ASP A 33 -7.160 -11.332 4.738 1.00 0.00 C ATOM 471 O ASP A 33 -6.180 -11.715 4.099 1.00 0.00 O ATOM 472 CB ASP A 33 -8.894 -12.965 5.503 1.00 0.00 C ATOM 473 CG ASP A 33 -10.203 -12.237 5.737 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.612 -12.114 6.910 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.820 -11.791 4.746 1.00 0.00 O ATOM 0 H ASP A 33 -9.033 -11.110 7.158 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.891 -12.806 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.806 -13.219 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.899 -13.904 6.057 1.00 0.00 H new ATOM 480 N ALA A 34 -7.823 -10.218 4.446 1.00 0.00 N ATOM 481 CA ALA A 34 -7.426 -9.361 3.336 1.00 0.00 C ATOM 482 C ALA A 34 -5.911 -9.193 3.286 1.00 0.00 C ATOM 483 O ALA A 34 -5.257 -8.942 4.299 1.00 0.00 O ATOM 484 CB ALA A 34 -8.106 -8.005 3.447 1.00 0.00 C ATOM 0 H ALA A 34 -8.638 -9.888 4.963 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.743 -9.839 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.800 -7.375 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.188 -8.138 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.818 -7.529 4.384 1.00 0.00 H new ATOM 490 N PRO A 35 -5.339 -9.334 2.082 1.00 0.00 N ATOM 491 CA PRO A 35 -3.894 -9.202 1.872 1.00 0.00 C ATOM 492 C PRO A 35 -3.412 -7.765 2.041 1.00 0.00 C ATOM 493 O PRO A 35 -4.134 -6.817 1.729 1.00 0.00 O ATOM 494 CB PRO A 35 -3.702 -9.664 0.425 1.00 0.00 C ATOM 495 CG PRO A 35 -5.016 -9.412 -0.230 1.00 0.00 C ATOM 496 CD PRO A 35 -6.057 -9.633 0.832 1.00 0.00 C ATOM 0 HA PRO A 35 -3.322 -9.780 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.902 -9.109 -0.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.432 -10.719 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.068 -8.396 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.168 -10.087 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.916 -8.976 0.695 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.433 -10.656 0.819 1.00 0.00 H new ATOM 504 N LEU A 36 -2.189 -7.610 2.535 1.00 0.00 N ATOM 505 CA LEU A 36 -1.611 -6.288 2.745 1.00 0.00 C ATOM 506 C LEU A 36 -1.931 -5.361 1.576 1.00 0.00 C ATOM 507 O LEU A 36 -2.262 -4.192 1.772 1.00 0.00 O ATOM 508 CB LEU A 36 -0.096 -6.395 2.926 1.00 0.00 C ATOM 509 CG LEU A 36 0.582 -5.215 3.624 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.093 -5.304 3.476 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.067 -3.897 3.066 1.00 0.00 C ATOM 0 H LEU A 36 -1.578 -8.384 2.798 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.050 -5.866 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.119 -7.300 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.359 -6.520 1.944 1.00 0.00 H new ATOM 0 HG LEU A 36 0.338 -5.257 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.558 -4.456 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.448 -6.232 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.357 -5.288 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.561 -3.069 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.280 -3.846 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.009 -3.830 3.225 1.00 0.00 H new ATOM 523 N GLU A 37 -1.832 -5.893 0.362 1.00 0.00 N ATOM 524 CA GLU A 37 -2.112 -5.114 -0.838 1.00 0.00 C ATOM 525 C GLU A 37 -3.383 -4.287 -0.665 1.00 0.00 C ATOM 526 O GLU A 37 -3.438 -3.124 -1.063 1.00 0.00 O ATOM 527 CB GLU A 37 -2.252 -6.036 -2.051 1.00 0.00 C ATOM 528 CG GLU A 37 -2.740 -5.326 -3.302 1.00 0.00 C ATOM 529 CD GLU A 37 -2.371 -6.064 -4.574 1.00 0.00 C ATOM 530 OE1 GLU A 37 -2.514 -7.304 -4.603 1.00 0.00 O ATOM 531 OE2 GLU A 37 -1.939 -5.401 -5.540 1.00 0.00 O ATOM 0 H GLU A 37 -1.560 -6.860 0.184 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.276 -4.434 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.287 -6.498 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.945 -6.841 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.823 -5.214 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.317 -4.322 -3.333 1.00 0.00 H new ATOM 538 N GLU A 38 -4.402 -4.897 -0.068 1.00 0.00 N ATOM 539 CA GLU A 38 -5.673 -4.218 0.157 1.00 0.00 C ATOM 540 C GLU A 38 -5.448 -2.809 0.699 1.00 0.00 C ATOM 541 O GLU A 38 -6.057 -1.848 0.231 1.00 0.00 O ATOM 542 CB GLU A 38 -6.540 -5.019 1.130 1.00 0.00 C ATOM 543 CG GLU A 38 -7.311 -6.149 0.470 1.00 0.00 C ATOM 544 CD GLU A 38 -8.031 -5.707 -0.789 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.735 -4.677 -0.740 1.00 0.00 O ATOM 546 OE2 GLU A 38 -7.889 -6.391 -1.825 1.00 0.00 O ATOM 0 H GLU A 38 -4.372 -5.859 0.268 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.190 -4.142 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.905 -5.433 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.245 -4.344 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.623 -6.959 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.037 -6.550 1.177 1.00 0.00 H new ATOM 553 N ALA A 39 -4.570 -2.696 1.690 1.00 0.00 N ATOM 554 CA ALA A 39 -4.263 -1.406 2.296 1.00 0.00 C ATOM 555 C ALA A 39 -3.592 -0.474 1.293 1.00 0.00 C ATOM 556 O ALA A 39 -3.686 0.748 1.408 1.00 0.00 O ATOM 557 CB ALA A 39 -3.378 -1.595 3.519 1.00 0.00 C ATOM 0 H ALA A 39 -4.059 -3.482 2.090 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.201 -0.946 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.157 -0.624 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.895 -2.217 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.447 -2.080 3.223 1.00 0.00 H new ATOM 563 N ARG A 40 -2.914 -1.059 0.311 1.00 0.00 N ATOM 564 CA ARG A 40 -2.225 -0.281 -0.711 1.00 0.00 C ATOM 565 C ARG A 40 -3.202 0.196 -1.782 1.00 0.00 C ATOM 566 O ARG A 40 -3.114 1.328 -2.256 1.00 0.00 O ATOM 567 CB ARG A 40 -1.114 -1.113 -1.354 1.00 0.00 C ATOM 568 CG ARG A 40 0.011 -0.276 -1.941 1.00 0.00 C ATOM 569 CD ARG A 40 1.098 -1.151 -2.546 1.00 0.00 C ATOM 570 NE ARG A 40 2.154 -0.358 -3.171 1.00 0.00 N ATOM 571 CZ ARG A 40 2.046 0.189 -4.376 1.00 0.00 C ATOM 572 NH1 ARG A 40 0.935 0.031 -5.083 1.00 0.00 N ATOM 573 NH2 ARG A 40 3.050 0.897 -4.877 1.00 0.00 N ATOM 0 H ARG A 40 -2.827 -2.069 0.202 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.784 0.592 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.700 -1.790 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.544 -1.732 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.390 0.389 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.441 0.355 -1.163 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.530 -1.782 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.657 -1.816 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 40 3.022 -0.217 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.160 -0.512 -4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.855 0.452 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.906 1.022 -4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.966 1.317 -5.803 1.00 0.00 H new ATOM 587 N GLN A 41 -4.132 -0.676 -2.158 1.00 0.00 N ATOM 588 CA GLN A 41 -5.124 -0.344 -3.174 1.00 0.00 C ATOM 589 C GLN A 41 -6.141 0.656 -2.635 1.00 0.00 C ATOM 590 O GLN A 41 -6.561 1.572 -3.342 1.00 0.00 O ATOM 591 CB GLN A 41 -5.838 -1.609 -3.652 1.00 0.00 C ATOM 592 CG GLN A 41 -6.958 -2.061 -2.728 1.00 0.00 C ATOM 593 CD GLN A 41 -7.849 -3.112 -3.362 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.364 -4.347 -3.412 1.00 0.00 O flip ATOM 595 NE2 GLN A 41 -8.960 -2.817 -3.802 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.219 -1.617 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.605 0.112 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.248 -1.431 -4.646 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.109 -2.414 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.527 -2.461 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.563 -1.199 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.293 -1.855 -3.743 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.548 -3.535 -4.226 1.00 0.00 H new ATOM 604 N PHE A 42 -6.534 0.473 -1.379 1.00 0.00 N ATOM 605 CA PHE A 42 -7.504 1.359 -0.745 1.00 0.00 C ATOM 606 C PHE A 42 -6.992 2.796 -0.719 1.00 0.00 C ATOM 607 O PHE A 42 -7.581 3.687 -1.332 1.00 0.00 O ATOM 608 CB PHE A 42 -7.803 0.887 0.680 1.00 0.00 C ATOM 609 CG PHE A 42 -8.466 1.932 1.531 1.00 0.00 C ATOM 610 CD1 PHE A 42 -9.832 2.148 1.447 1.00 0.00 C ATOM 611 CD2 PHE A 42 -7.722 2.698 2.415 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.445 3.109 2.230 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.330 3.660 3.200 1.00 0.00 C ATOM 614 CZ PHE A 42 -9.693 3.866 3.106 1.00 0.00 C ATOM 0 H PHE A 42 -6.196 -0.280 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.423 1.329 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.443 0.006 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.871 0.580 1.155 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.425 1.559 0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.656 2.542 2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.511 3.267 2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.740 4.250 3.886 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.170 4.618 3.717 1.00 0.00 H new ATOM 624 N ALA A 43 -5.893 3.014 -0.005 1.00 0.00 N ATOM 625 CA ALA A 43 -5.301 4.342 0.100 1.00 0.00 C ATOM 626 C ALA A 43 -5.130 4.977 -1.276 1.00 0.00 C ATOM 627 O ALA A 43 -5.215 6.196 -1.423 1.00 0.00 O ATOM 628 CB ALA A 43 -3.962 4.268 0.819 1.00 0.00 C ATOM 0 H ALA A 43 -5.394 2.288 0.509 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.978 4.970 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.532 5.267 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.109 3.864 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.285 3.620 0.262 1.00 0.00 H new ATOM 634 N ALA A 44 -4.886 4.142 -2.281 1.00 0.00 N ATOM 635 CA ALA A 44 -4.704 4.623 -3.646 1.00 0.00 C ATOM 636 C ALA A 44 -6.021 5.120 -4.233 1.00 0.00 C ATOM 637 O ALA A 44 -6.036 6.022 -5.070 1.00 0.00 O ATOM 638 CB ALA A 44 -4.117 3.523 -4.518 1.00 0.00 C ATOM 0 H ALA A 44 -4.810 3.130 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.009 5.462 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.986 3.895 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.151 3.217 -4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.793 2.668 -4.529 1.00 0.00 H new ATOM 644 N GLN A 45 -7.124 4.525 -3.789 1.00 0.00 N ATOM 645 CA GLN A 45 -8.445 4.908 -4.273 1.00 0.00 C ATOM 646 C GLN A 45 -8.814 6.308 -3.797 1.00 0.00 C ATOM 647 O GLN A 45 -9.569 7.022 -4.458 1.00 0.00 O ATOM 648 CB GLN A 45 -9.495 3.901 -3.800 1.00 0.00 C ATOM 649 CG GLN A 45 -9.715 2.751 -4.769 1.00 0.00 C ATOM 650 CD GLN A 45 -10.328 1.535 -4.102 1.00 0.00 C ATOM 651 OE1 GLN A 45 -10.270 1.387 -2.881 1.00 0.00 O ATOM 652 NE2 GLN A 45 -10.921 0.657 -4.902 1.00 0.00 N ATOM 0 H GLN A 45 -7.129 3.777 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.419 4.911 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.191 3.498 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.441 4.420 -3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.365 3.083 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.762 2.472 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.946 0.820 -5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.352 -0.180 -4.510 1.00 0.00 H new ATOM 661 N THR A 46 -8.278 6.697 -2.644 1.00 0.00 N ATOM 662 CA THR A 46 -8.553 8.012 -2.078 1.00 0.00 C ATOM 663 C THR A 46 -7.465 9.011 -2.455 1.00 0.00 C ATOM 664 O THR A 46 -7.755 10.138 -2.855 1.00 0.00 O ATOM 665 CB THR A 46 -8.667 7.950 -0.543 1.00 0.00 C ATOM 666 OG1 THR A 46 -9.804 7.165 -0.168 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.790 9.346 0.048 1.00 0.00 C ATOM 0 H THR A 46 -7.651 6.120 -2.084 1.00 0.00 H new ATOM 0 HA THR A 46 -9.505 8.342 -2.493 1.00 0.00 H new ATOM 0 HB THR A 46 -7.761 7.487 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.869 7.129 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.869 9.276 1.133 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.909 9.931 -0.215 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.680 9.833 -0.350 1.00 0.00 H new ATOM 675 N VAL A 47 -6.211 8.590 -2.326 1.00 0.00 N ATOM 676 CA VAL A 47 -5.079 9.448 -2.655 1.00 0.00 C ATOM 677 C VAL A 47 -4.433 9.025 -3.970 1.00 0.00 C ATOM 678 O VAL A 47 -3.235 9.217 -4.175 1.00 0.00 O ATOM 679 CB VAL A 47 -4.014 9.424 -1.542 1.00 0.00 C ATOM 680 CG1 VAL A 47 -4.656 9.659 -0.183 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.253 8.107 -1.561 1.00 0.00 C ATOM 0 H VAL A 47 -5.953 7.660 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.468 10.461 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.304 10.230 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.888 9.639 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.151 10.630 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.389 8.877 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.505 8.108 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.948 7.283 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.760 7.986 -2.525 1.00 0.00 H new ATOM 691 N GLY A 48 -5.236 8.449 -4.859 1.00 0.00 N ATOM 692 CA GLY A 48 -4.726 8.008 -6.144 1.00 0.00 C ATOM 693 C GLY A 48 -4.163 9.150 -6.967 1.00 0.00 C ATOM 694 O GLY A 48 -3.208 8.968 -7.721 1.00 0.00 O ATOM 0 H GLY A 48 -6.231 8.280 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.949 7.260 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.527 7.522 -6.702 1.00 0.00 H new ATOM 698 N ASN A 49 -4.756 10.331 -6.822 1.00 0.00 N ATOM 699 CA ASN A 49 -4.309 11.506 -7.560 1.00 0.00 C ATOM 700 C ASN A 49 -3.424 12.392 -6.688 1.00 0.00 C ATOM 701 O ASN A 49 -2.464 12.995 -7.169 1.00 0.00 O ATOM 702 CB ASN A 49 -5.512 12.307 -8.063 1.00 0.00 C ATOM 703 CG ASN A 49 -5.967 11.863 -9.441 1.00 0.00 C ATOM 704 OD1 ASN A 49 -5.193 11.289 -10.207 1.00 0.00 O ATOM 705 ND2 ASN A 49 -7.228 12.129 -9.761 1.00 0.00 N ATOM 0 H ASN A 49 -5.547 10.499 -6.200 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.724 11.166 -8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.337 12.199 -7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.254 13.366 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.591 11.855 -10.674 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.834 12.607 -9.094 1.00 0.00 H new ATOM 712 N THR A 50 -3.753 12.465 -5.402 1.00 0.00 N ATOM 713 CA THR A 50 -2.989 13.276 -4.463 1.00 0.00 C ATOM 714 C THR A 50 -1.491 13.137 -4.708 1.00 0.00 C ATOM 715 O THR A 50 -0.808 14.116 -5.008 1.00 0.00 O ATOM 716 CB THR A 50 -3.298 12.887 -3.005 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.686 13.100 -2.724 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.449 13.698 -2.037 1.00 0.00 C ATOM 0 H THR A 50 -4.544 11.972 -4.987 1.00 0.00 H new ATOM 0 HA THR A 50 -3.286 14.312 -4.626 1.00 0.00 H new ATOM 0 HB THR A 50 -3.060 11.831 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.874 12.849 -1.796 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.685 13.406 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.393 13.511 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.660 14.759 -2.169 1.00 0.00 H new ATOM 726 N TYR A 51 -0.986 11.915 -4.578 1.00 0.00 N ATOM 727 CA TYR A 51 0.432 11.649 -4.784 1.00 0.00 C ATOM 728 C TYR A 51 0.649 10.768 -6.011 1.00 0.00 C ATOM 729 O TYR A 51 1.536 11.024 -6.825 1.00 0.00 O ATOM 730 CB TYR A 51 1.031 10.976 -3.548 1.00 0.00 C ATOM 731 CG TYR A 51 0.500 11.525 -2.243 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.108 12.611 -1.625 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.609 10.957 -1.627 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.627 13.116 -0.432 1.00 0.00 C ATOM 735 CE2 TYR A 51 -1.097 11.456 -0.435 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.476 12.535 0.158 1.00 0.00 C ATOM 737 OH TYR A 51 -0.959 13.034 1.346 1.00 0.00 O ATOM 0 H TYR A 51 -1.538 11.094 -4.331 1.00 0.00 H new ATOM 0 HA TYR A 51 0.934 12.602 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.827 9.906 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.114 11.095 -3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.971 13.068 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.097 10.111 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.112 13.960 0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.960 11.003 0.030 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.925 13.182 1.270 1.00 0.00 H new ATOM 747 N GLY A 52 -0.170 9.728 -6.137 1.00 0.00 N ATOM 748 CA GLY A 52 -0.053 8.825 -7.267 1.00 0.00 C ATOM 749 C GLY A 52 0.508 7.473 -6.873 1.00 0.00 C ATOM 750 O GLY A 52 -0.166 6.681 -6.217 1.00 0.00 O ATOM 0 H GLY A 52 -0.912 9.495 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.034 8.689 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.590 9.275 -8.023 1.00 0.00 H new ATOM 754 N ASN A 53 1.747 7.209 -7.277 1.00 0.00 N ATOM 755 CA ASN A 53 2.398 5.942 -6.963 1.00 0.00 C ATOM 756 C ASN A 53 3.159 6.033 -5.644 1.00 0.00 C ATOM 757 O ASN A 53 4.385 6.155 -5.629 1.00 0.00 O ATOM 758 CB ASN A 53 3.354 5.544 -8.090 1.00 0.00 C ATOM 759 CG ASN A 53 4.027 6.743 -8.728 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.094 7.820 -8.135 1.00 0.00 O ATOM 761 ND2 ASN A 53 4.529 6.562 -9.944 1.00 0.00 N ATOM 0 H ASN A 53 2.319 7.854 -7.821 1.00 0.00 H new ATOM 0 HA ASN A 53 1.625 5.180 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.115 4.871 -7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.803 4.992 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.993 7.333 -10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.451 5.652 -10.398 1.00 0.00 H new ATOM 768 N PHE A 54 2.425 5.973 -4.538 1.00 0.00 N ATOM 769 CA PHE A 54 3.030 6.049 -3.214 1.00 0.00 C ATOM 770 C PHE A 54 3.414 4.660 -2.710 1.00 0.00 C ATOM 771 O PHE A 54 3.100 3.651 -3.341 1.00 0.00 O ATOM 772 CB PHE A 54 2.068 6.713 -2.227 1.00 0.00 C ATOM 773 CG PHE A 54 0.865 5.874 -1.906 1.00 0.00 C ATOM 774 CD1 PHE A 54 0.996 4.700 -1.181 1.00 0.00 C ATOM 775 CD2 PHE A 54 -0.398 6.258 -2.329 1.00 0.00 C ATOM 776 CE1 PHE A 54 -0.109 3.926 -0.883 1.00 0.00 C ATOM 777 CE2 PHE A 54 -1.506 5.487 -2.034 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.362 4.319 -1.311 1.00 0.00 C ATOM 0 H PHE A 54 1.410 5.872 -4.533 1.00 0.00 H new ATOM 0 HA PHE A 54 3.935 6.652 -3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.603 6.935 -1.304 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.737 7.666 -2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.973 4.387 -0.845 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.517 7.170 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.007 3.014 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.485 5.798 -2.369 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.227 3.715 -1.081 1.00 0.00 H new ATOM 788 N SER A 55 4.095 4.618 -1.570 1.00 0.00 N ATOM 789 CA SER A 55 4.525 3.355 -0.983 1.00 0.00 C ATOM 790 C SER A 55 4.027 3.225 0.453 1.00 0.00 C ATOM 791 O SER A 55 3.486 4.173 1.024 1.00 0.00 O ATOM 792 CB SER A 55 6.051 3.246 -1.017 1.00 0.00 C ATOM 793 OG SER A 55 6.464 1.895 -1.130 1.00 0.00 O ATOM 0 H SER A 55 4.361 5.444 -1.034 1.00 0.00 H new ATOM 0 HA SER A 55 4.096 2.545 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.441 3.820 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.470 3.683 -0.111 1.00 0.00 H new ATOM 0 HG SER A 55 7.443 1.853 -1.151 1.00 0.00 H new ATOM 799 N LEU A 56 4.212 2.044 1.032 1.00 0.00 N ATOM 800 CA LEU A 56 3.781 1.787 2.402 1.00 0.00 C ATOM 801 C LEU A 56 4.930 1.236 3.240 1.00 0.00 C ATOM 802 O LEU A 56 5.709 0.405 2.773 1.00 0.00 O ATOM 803 CB LEU A 56 2.609 0.805 2.414 1.00 0.00 C ATOM 804 CG LEU A 56 1.258 1.366 1.970 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.189 0.285 2.015 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.859 2.549 2.842 1.00 0.00 C ATOM 0 H LEU A 56 4.658 1.249 0.574 1.00 0.00 H new ATOM 0 HA LEU A 56 3.458 2.732 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.860 -0.037 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.502 0.411 3.425 1.00 0.00 H new ATOM 0 HG LEU A 56 1.352 1.713 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.765 0.704 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.469 -0.531 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.097 -0.093 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.105 2.936 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.784 2.227 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.612 3.333 2.759 1.00 0.00 H new ATOM 818 N ALA A 57 5.028 1.702 4.481 1.00 0.00 N ATOM 819 CA ALA A 57 6.079 1.252 5.385 1.00 0.00 C ATOM 820 C ALA A 57 5.599 1.258 6.832 1.00 0.00 C ATOM 821 O ALA A 57 4.595 1.892 7.162 1.00 0.00 O ATOM 822 CB ALA A 57 7.316 2.126 5.234 1.00 0.00 C ATOM 0 H ALA A 57 4.392 2.391 4.883 1.00 0.00 H new ATOM 0 HA ALA A 57 6.337 0.227 5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.093 1.778 5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.680 2.067 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.062 3.159 5.470 1.00 0.00 H new ATOM 828 N THR A 58 6.320 0.548 7.694 1.00 0.00 N ATOM 829 CA THR A 58 5.966 0.471 9.105 1.00 0.00 C ATOM 830 C THR A 58 6.306 1.768 9.830 1.00 0.00 C ATOM 831 O THR A 58 6.732 2.743 9.210 1.00 0.00 O ATOM 832 CB THR A 58 6.689 -0.697 9.803 1.00 0.00 C ATOM 833 OG1 THR A 58 8.090 -0.651 9.511 1.00 0.00 O ATOM 834 CG2 THR A 58 6.116 -2.033 9.354 1.00 0.00 C ATOM 0 H THR A 58 7.153 0.018 7.439 1.00 0.00 H new ATOM 0 HA THR A 58 4.890 0.303 9.151 1.00 0.00 H new ATOM 0 HB THR A 58 6.539 -0.598 10.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.304 0.195 9.066 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.642 -2.843 9.860 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.056 -2.077 9.604 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.239 -2.138 8.276 1.00 0.00 H new ATOM 842 N MET A 59 6.115 1.774 11.145 1.00 0.00 N ATOM 843 CA MET A 59 6.404 2.953 11.954 1.00 0.00 C ATOM 844 C MET A 59 7.506 2.660 12.967 1.00 0.00 C ATOM 845 O MET A 59 8.473 3.414 13.082 1.00 0.00 O ATOM 846 CB MET A 59 5.141 3.423 12.678 1.00 0.00 C ATOM 847 CG MET A 59 4.310 4.408 11.872 1.00 0.00 C ATOM 848 SD MET A 59 4.805 6.120 12.145 1.00 0.00 S ATOM 849 CE MET A 59 4.417 6.312 13.883 1.00 0.00 C ATOM 0 H MET A 59 5.762 0.976 11.673 1.00 0.00 H new ATOM 0 HA MET A 59 6.748 3.745 11.288 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.527 2.556 12.921 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.425 3.887 13.623 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.401 4.172 10.812 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.259 4.291 12.135 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.168 7.353 14.087 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.567 5.679 14.138 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.280 6.021 14.483 1.00 0.00 H new ATOM 859 N PHE A 60 7.353 1.562 13.700 1.00 0.00 N ATOM 860 CA PHE A 60 8.335 1.171 14.705 1.00 0.00 C ATOM 861 C PHE A 60 9.614 0.663 14.046 1.00 0.00 C ATOM 862 O PHE A 60 10.670 1.292 14.114 1.00 0.00 O ATOM 863 CB PHE A 60 7.756 0.092 15.621 1.00 0.00 C ATOM 864 CG PHE A 60 7.182 0.635 16.898 1.00 0.00 C ATOM 865 CD1 PHE A 60 8.009 0.970 17.958 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.814 0.810 17.039 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.483 1.470 19.135 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.283 1.310 18.213 1.00 0.00 C ATOM 869 CZ PHE A 60 6.119 1.639 19.263 1.00 0.00 C ATOM 0 H PHE A 60 6.559 0.927 13.617 1.00 0.00 H new ATOM 0 HA PHE A 60 8.579 2.051 15.301 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.978 -0.450 15.084 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.538 -0.628 15.861 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.077 0.839 17.864 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.156 0.553 16.222 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.139 1.728 19.953 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.216 1.443 18.310 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.706 2.028 20.182 1.00 0.00 H new ATOM 879 N PRO A 61 9.519 -0.505 13.393 1.00 0.00 N ATOM 880 CA PRO A 61 10.658 -1.125 12.710 1.00 0.00 C ATOM 881 C PRO A 61 11.078 -0.351 11.465 1.00 0.00 C ATOM 882 O PRO A 61 12.127 -0.620 10.880 1.00 0.00 O ATOM 883 CB PRO A 61 10.131 -2.510 12.326 1.00 0.00 C ATOM 884 CG PRO A 61 8.653 -2.341 12.239 1.00 0.00 C ATOM 885 CD PRO A 61 8.292 -1.310 13.272 1.00 0.00 C ATOM 0 HA PRO A 61 11.546 -1.152 13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.548 -2.843 11.376 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.401 -3.257 13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.356 -2.015 11.242 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.141 -3.283 12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.443 -0.704 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.018 -1.771 14.221 1.00 0.00 H new ATOM 893 N ARG A 62 10.253 0.611 11.065 1.00 0.00 N ATOM 894 CA ARG A 62 10.539 1.423 9.889 1.00 0.00 C ATOM 895 C ARG A 62 11.227 0.593 8.809 1.00 0.00 C ATOM 896 O ARG A 62 12.305 0.949 8.331 1.00 0.00 O ATOM 897 CB ARG A 62 11.419 2.616 10.268 1.00 0.00 C ATOM 898 CG ARG A 62 11.534 3.662 9.171 1.00 0.00 C ATOM 899 CD ARG A 62 10.165 4.116 8.690 1.00 0.00 C ATOM 900 NE ARG A 62 10.205 5.457 8.112 1.00 0.00 N ATOM 901 CZ ARG A 62 10.618 5.712 6.876 1.00 0.00 C ATOM 902 NH1 ARG A 62 11.023 4.723 6.091 1.00 0.00 N ATOM 903 NH2 ARG A 62 10.625 6.959 6.421 1.00 0.00 N ATOM 0 H ARG A 62 9.381 0.847 11.538 1.00 0.00 H new ATOM 0 HA ARG A 62 9.592 1.790 9.493 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.014 3.085 11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.416 2.255 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.094 4.520 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.098 3.252 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.790 3.412 7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.464 4.102 9.525 1.00 0.00 H new ATOM 0 HE ARG A 62 9.899 6.240 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.018 3.763 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.340 4.922 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.313 7.723 7.021 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.942 7.154 5.471 1.00 0.00 H new ATOM 917 N ARG A 63 10.598 -0.515 8.431 1.00 0.00 N ATOM 918 CA ARG A 63 11.150 -1.396 7.409 1.00 0.00 C ATOM 919 C ARG A 63 10.246 -1.438 6.181 1.00 0.00 C ATOM 920 O ARG A 63 9.074 -1.802 6.274 1.00 0.00 O ATOM 921 CB ARG A 63 11.334 -2.808 7.969 1.00 0.00 C ATOM 922 CG ARG A 63 12.488 -3.569 7.336 1.00 0.00 C ATOM 923 CD ARG A 63 12.768 -4.869 8.073 1.00 0.00 C ATOM 924 NE ARG A 63 13.460 -4.643 9.339 1.00 0.00 N ATOM 925 CZ ARG A 63 14.215 -5.557 9.937 1.00 0.00 C ATOM 926 NH1 ARG A 63 14.377 -6.752 9.387 1.00 0.00 N ATOM 927 NH2 ARG A 63 14.812 -5.275 11.089 1.00 0.00 N ATOM 0 H ARG A 63 9.706 -0.824 8.817 1.00 0.00 H new ATOM 0 HA ARG A 63 12.121 -1.001 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.498 -2.745 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.413 -3.372 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.255 -3.784 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.383 -2.946 7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.828 -5.388 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.372 -5.521 7.441 1.00 0.00 H new ATOM 0 HE ARG A 63 13.358 -3.733 9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.921 -6.972 8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.958 -7.452 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.691 -4.356 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.392 -5.977 11.548 1.00 0.00 H new ATOM 941 N GLU A 64 10.800 -1.063 5.032 1.00 0.00 N ATOM 942 CA GLU A 64 10.042 -1.057 3.786 1.00 0.00 C ATOM 943 C GLU A 64 9.523 -2.454 3.458 1.00 0.00 C ATOM 944 O GLU A 64 10.302 -3.382 3.242 1.00 0.00 O ATOM 945 CB GLU A 64 10.911 -0.540 2.637 1.00 0.00 C ATOM 946 CG GLU A 64 10.114 0.074 1.499 1.00 0.00 C ATOM 947 CD GLU A 64 10.982 0.445 0.312 1.00 0.00 C ATOM 948 OE1 GLU A 64 11.395 -0.471 -0.430 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.247 1.651 0.125 1.00 0.00 O ATOM 0 H GLU A 64 11.769 -0.760 4.938 1.00 0.00 H new ATOM 0 HA GLU A 64 9.188 -0.392 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.606 0.204 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.510 -1.363 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.346 -0.630 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.599 0.964 1.860 1.00 0.00 H new ATOM 956 N PHE A 65 8.202 -2.595 3.422 1.00 0.00 N ATOM 957 CA PHE A 65 7.578 -3.878 3.122 1.00 0.00 C ATOM 958 C PHE A 65 8.184 -4.496 1.865 1.00 0.00 C ATOM 959 O PHE A 65 8.929 -3.843 1.133 1.00 0.00 O ATOM 960 CB PHE A 65 6.069 -3.705 2.942 1.00 0.00 C ATOM 961 CG PHE A 65 5.335 -3.474 4.232 1.00 0.00 C ATOM 962 CD1 PHE A 65 4.948 -4.542 5.026 1.00 0.00 C ATOM 963 CD2 PHE A 65 5.032 -2.189 4.652 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.271 -4.332 6.213 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.356 -1.972 5.838 1.00 0.00 C ATOM 966 CZ PHE A 65 3.976 -3.045 6.620 1.00 0.00 C ATOM 0 H PHE A 65 7.543 -1.836 3.597 1.00 0.00 H new ATOM 0 HA PHE A 65 7.762 -4.549 3.961 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.885 -2.865 2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.665 -4.593 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.178 -5.550 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.328 -1.346 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.973 -5.173 6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.125 -0.965 6.153 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.449 -2.878 7.548 1.00 0.00 H new ATOM 976 N THR A 66 7.859 -5.762 1.620 1.00 0.00 N ATOM 977 CA THR A 66 8.371 -6.470 0.453 1.00 0.00 C ATOM 978 C THR A 66 7.236 -7.084 -0.359 1.00 0.00 C ATOM 979 O THR A 66 6.116 -7.228 0.132 1.00 0.00 O ATOM 980 CB THR A 66 9.357 -7.582 0.859 1.00 0.00 C ATOM 981 OG1 THR A 66 9.757 -8.327 -0.296 1.00 0.00 O ATOM 982 CG2 THR A 66 8.727 -8.518 1.880 1.00 0.00 C ATOM 0 H THR A 66 7.244 -6.318 2.214 1.00 0.00 H new ATOM 0 HA THR A 66 8.895 -5.735 -0.158 1.00 0.00 H new ATOM 0 HB THR A 66 10.232 -7.114 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.385 -9.031 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.442 -9.295 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.450 -7.953 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.837 -8.978 1.451 1.00 0.00 H new ATOM 990 N ARG A 67 7.533 -7.446 -1.602 1.00 0.00 N ATOM 991 CA ARG A 67 6.537 -8.045 -2.483 1.00 0.00 C ATOM 992 C ARG A 67 5.820 -9.198 -1.787 1.00 0.00 C ATOM 993 O ARG A 67 4.604 -9.346 -1.905 1.00 0.00 O ATOM 994 CB ARG A 67 7.197 -8.543 -3.770 1.00 0.00 C ATOM 995 CG ARG A 67 7.286 -7.486 -4.858 1.00 0.00 C ATOM 996 CD ARG A 67 8.132 -7.961 -6.029 1.00 0.00 C ATOM 997 NE ARG A 67 7.338 -8.684 -7.019 1.00 0.00 N ATOM 998 CZ ARG A 67 7.682 -8.795 -8.297 1.00 0.00 C ATOM 999 NH1 ARG A 67 8.800 -8.235 -8.738 1.00 0.00 N ATOM 1000 NH2 ARG A 67 6.908 -9.470 -9.138 1.00 0.00 N ATOM 0 H ARG A 67 8.456 -7.335 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 67 5.802 -7.280 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.201 -8.900 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.635 -9.396 -4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.284 -7.238 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.714 -6.573 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.609 -7.103 -6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.930 -8.607 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 67 6.472 -9.128 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.399 -7.717 -8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.061 -8.322 -9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.048 -9.904 -8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.173 -9.555 -10.119 1.00 0.00 H new ATOM 1014 N GLU A 68 6.581 -10.011 -1.062 1.00 0.00 N ATOM 1015 CA GLU A 68 6.017 -11.151 -0.348 1.00 0.00 C ATOM 1016 C GLU A 68 4.988 -10.693 0.681 1.00 0.00 C ATOM 1017 O GLU A 68 3.923 -11.294 0.820 1.00 0.00 O ATOM 1018 CB GLU A 68 7.126 -11.948 0.342 1.00 0.00 C ATOM 1019 CG GLU A 68 7.995 -12.740 -0.620 1.00 0.00 C ATOM 1020 CD GLU A 68 7.430 -14.115 -0.920 1.00 0.00 C ATOM 1021 OE1 GLU A 68 6.664 -14.636 -0.083 1.00 0.00 O ATOM 1022 OE2 GLU A 68 7.754 -14.669 -1.991 1.00 0.00 O ATOM 0 H GLU A 68 7.589 -9.902 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 68 5.518 -11.792 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.757 -11.262 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.676 -12.633 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.100 -12.183 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.994 -12.846 -0.198 1.00 0.00 H new ATOM 1029 N ASP A 69 5.315 -9.626 1.402 1.00 0.00 N ATOM 1030 CA ASP A 69 4.420 -9.086 2.419 1.00 0.00 C ATOM 1031 C ASP A 69 3.039 -8.808 1.835 1.00 0.00 C ATOM 1032 O ASP A 69 2.033 -8.856 2.543 1.00 0.00 O ATOM 1033 CB ASP A 69 5.004 -7.804 3.014 1.00 0.00 C ATOM 1034 CG ASP A 69 5.903 -8.074 4.204 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.947 -8.735 4.020 1.00 0.00 O ATOM 1036 OD2 ASP A 69 5.563 -7.626 5.319 1.00 0.00 O ATOM 0 H ASP A 69 6.194 -9.118 1.301 1.00 0.00 H new ATOM 0 HA ASP A 69 4.317 -9.830 3.209 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.571 -7.276 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.191 -7.145 3.319 1.00 0.00 H new ATOM 1041 N TYR A 70 2.997 -8.516 0.540 1.00 0.00 N ATOM 1042 CA TYR A 70 1.740 -8.227 -0.139 1.00 0.00 C ATOM 1043 C TYR A 70 1.068 -9.512 -0.613 1.00 0.00 C ATOM 1044 O TYR A 70 -0.112 -9.517 -0.966 1.00 0.00 O ATOM 1045 CB TYR A 70 1.981 -7.296 -1.329 1.00 0.00 C ATOM 1046 CG TYR A 70 2.392 -5.897 -0.929 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.530 -5.076 -0.213 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.643 -5.396 -1.270 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.902 -3.797 0.154 1.00 0.00 C ATOM 1050 CE2 TYR A 70 4.023 -4.119 -0.906 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.149 -3.323 -0.195 1.00 0.00 C ATOM 1052 OH TYR A 70 3.524 -2.050 0.168 1.00 0.00 O ATOM 0 H TYR A 70 3.820 -8.473 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 70 1.078 -7.733 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.755 -7.725 -1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.071 -7.242 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.552 -5.444 0.061 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.329 -6.015 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.220 -3.172 0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.000 -3.745 -1.177 1.00 0.00 H new ATOM 0 HH TYR A 70 4.432 -1.872 -0.154 1.00 0.00 H new ATOM 1062 N LYS A 71 1.827 -10.603 -0.616 1.00 0.00 N ATOM 1063 CA LYS A 71 1.308 -11.896 -1.043 1.00 0.00 C ATOM 1064 C LYS A 71 0.611 -12.611 0.110 1.00 0.00 C ATOM 1065 O LYS A 71 -0.318 -13.390 -0.101 1.00 0.00 O ATOM 1066 CB LYS A 71 2.441 -12.769 -1.588 1.00 0.00 C ATOM 1067 CG LYS A 71 3.202 -12.131 -2.736 1.00 0.00 C ATOM 1068 CD LYS A 71 2.402 -12.171 -4.027 1.00 0.00 C ATOM 1069 CE LYS A 71 3.256 -11.784 -5.225 1.00 0.00 C ATOM 1070 NZ LYS A 71 2.435 -11.596 -6.453 1.00 0.00 N ATOM 0 H LYS A 71 2.805 -10.617 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 71 0.578 -11.723 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.138 -12.991 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.027 -13.720 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.439 -11.097 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.150 -12.650 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.998 -13.173 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.552 -11.493 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.796 -10.863 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.004 -12.557 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.053 -11.333 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.940 -12.482 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.738 -10.841 -6.292 1.00 0.00 H new ATOM 1084 N ARG A 72 1.065 -12.338 1.329 1.00 0.00 N ATOM 1085 CA ARG A 72 0.484 -12.955 2.516 1.00 0.00 C ATOM 1086 C ARG A 72 -0.608 -12.070 3.110 1.00 0.00 C ATOM 1087 O ARG A 72 -0.664 -10.870 2.840 1.00 0.00 O ATOM 1088 CB ARG A 72 1.568 -13.217 3.563 1.00 0.00 C ATOM 1089 CG ARG A 72 2.286 -11.959 4.024 1.00 0.00 C ATOM 1090 CD ARG A 72 3.699 -12.265 4.495 1.00 0.00 C ATOM 1091 NE ARG A 72 3.710 -12.952 5.784 1.00 0.00 N ATOM 1092 CZ ARG A 72 4.752 -13.635 6.244 1.00 0.00 C ATOM 1093 NH1 ARG A 72 5.862 -13.722 5.525 1.00 0.00 N ATOM 1094 NH2 ARG A 72 4.685 -14.233 7.427 1.00 0.00 N ATOM 0 H ARG A 72 1.833 -11.694 1.521 1.00 0.00 H new ATOM 0 HA ARG A 72 0.037 -13.904 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.117 -13.705 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.299 -13.912 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.322 -11.239 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.724 -11.494 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.203 -12.882 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.264 -11.336 4.575 1.00 0.00 H new ATOM 0 HE ARG A 72 2.871 -12.905 6.363 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.918 -13.264 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.660 -14.247 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.833 -14.168 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.486 -14.757 7.779 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.475 -12.671 3.918 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.566 -11.938 4.549 1.00 0.00 C ATOM 1110 C ARG A 73 -2.032 -10.941 5.572 1.00 0.00 C ATOM 1111 O ARG A 73 -0.873 -11.016 5.982 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.537 -12.908 5.225 1.00 0.00 C ATOM 1113 CG ARG A 73 -4.144 -13.925 4.272 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.912 -15.003 5.022 1.00 0.00 C ATOM 1115 NE ARG A 73 -4.051 -15.757 5.928 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.337 -16.978 6.368 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.455 -17.578 5.986 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -3.503 -17.600 7.191 1.00 0.00 N ATOM 0 H ARG A 73 -1.443 -13.663 4.151 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.096 -11.386 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.014 -13.436 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.339 -12.338 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.812 -13.419 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.354 -14.386 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.721 -14.543 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.371 -15.685 4.307 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.182 -15.323 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.098 -17.103 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.672 -18.515 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.641 -17.141 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.723 -18.537 7.528 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.884 -10.007 5.982 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.498 -8.994 6.957 1.00 0.00 C ATOM 1134 C LEU A 74 -2.172 -9.631 8.304 1.00 0.00 C ATOM 1135 O LEU A 74 -1.058 -9.499 8.813 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.618 -7.966 7.125 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.697 -6.879 6.051 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.128 -6.391 5.891 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.772 -5.721 6.395 1.00 0.00 C ATOM 0 H LEU A 74 -3.847 -9.931 5.654 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.604 -8.492 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.570 -8.496 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.498 -7.483 8.095 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.372 -7.307 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.165 -5.618 5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.766 -7.225 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.480 -5.980 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.841 -4.957 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.066 -5.293 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.745 -6.082 6.458 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.150 -10.325 8.877 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.967 -10.986 10.164 1.00 0.00 C ATOM 1153 C LEU A 75 -1.674 -11.796 10.182 1.00 0.00 C ATOM 1154 O LEU A 75 -1.049 -11.962 11.229 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.157 -11.898 10.465 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.059 -13.328 9.934 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.213 -14.171 10.452 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -4.035 -13.331 8.412 1.00 0.00 C ATOM 0 H LEU A 75 -4.078 -10.444 8.470 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.903 -10.217 10.933 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.291 -11.942 11.546 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.055 -11.439 10.051 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.128 -13.765 10.294 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.126 -15.186 10.063 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.185 -14.196 11.541 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.157 -13.736 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.965 -14.357 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.949 -12.875 8.033 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.173 -12.763 8.061 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.279 -12.295 9.016 1.00 0.00 N ATOM 1171 CA ASP A 76 -0.059 -13.084 8.897 1.00 0.00 C ATOM 1172 C ASP A 76 1.171 -12.234 9.203 1.00 0.00 C ATOM 1173 O ASP A 76 2.160 -12.727 9.747 1.00 0.00 O ATOM 1174 CB ASP A 76 0.054 -13.679 7.492 1.00 0.00 C ATOM 1175 CG ASP A 76 -0.591 -15.047 7.389 1.00 0.00 C ATOM 1176 OD1 ASP A 76 -1.520 -15.326 8.175 1.00 0.00 O ATOM 1177 OD2 ASP A 76 -0.167 -15.838 6.521 1.00 0.00 O ATOM 0 H ASP A 76 -1.786 -12.167 8.140 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.108 -13.895 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.415 -13.004 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.106 -13.755 7.216 1.00 0.00 H new ATOM 1182 N LEU A 77 1.102 -10.956 8.849 1.00 0.00 N ATOM 1183 CA LEU A 77 2.210 -10.036 9.086 1.00 0.00 C ATOM 1184 C LEU A 77 2.058 -9.334 10.431 1.00 0.00 C ATOM 1185 O LEU A 77 2.614 -8.258 10.646 1.00 0.00 O ATOM 1186 CB LEU A 77 2.287 -9.000 7.963 1.00 0.00 C ATOM 1187 CG LEU A 77 2.723 -9.525 6.594 1.00 0.00 C ATOM 1188 CD1 LEU A 77 2.165 -8.648 5.484 1.00 0.00 C ATOM 1189 CD2 LEU A 77 4.241 -9.596 6.509 1.00 0.00 C ATOM 0 H LEU A 77 0.291 -10.533 8.397 1.00 0.00 H new ATOM 0 HA LEU A 77 3.133 -10.615 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.307 -8.536 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.980 -8.215 8.267 1.00 0.00 H new ATOM 0 HG LEU A 77 2.325 -10.532 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.485 -9.037 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.076 -8.649 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.533 -7.629 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.533 -9.972 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.661 -8.601 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.618 -10.267 7.281 1.00 0.00 H new ATOM 1201 N GLU A 78 1.304 -9.953 11.334 1.00 0.00 N ATOM 1202 CA GLU A 78 1.080 -9.387 12.659 1.00 0.00 C ATOM 1203 C GLU A 78 0.320 -8.068 12.566 1.00 0.00 C ATOM 1204 O GLU A 78 0.490 -7.180 13.403 1.00 0.00 O ATOM 1205 CB GLU A 78 2.414 -9.171 13.377 1.00 0.00 C ATOM 1206 CG GLU A 78 3.322 -10.389 13.356 1.00 0.00 C ATOM 1207 CD GLU A 78 4.775 -10.039 13.610 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.374 -9.346 12.762 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.313 -10.458 14.657 1.00 0.00 O ATOM 0 H GLU A 78 0.838 -10.846 11.172 1.00 0.00 H new ATOM 0 HA GLU A 78 0.478 -10.093 13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.934 -8.333 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.218 -8.892 14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.986 -11.100 14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.236 -10.885 12.389 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.519 -7.946 11.543 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.306 -6.735 11.339 1.00 0.00 C ATOM 1218 C LEU A 79 -2.794 -7.014 11.526 1.00 0.00 C ATOM 1219 O LEU A 79 -3.641 -6.233 11.095 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.053 -6.168 9.941 1.00 0.00 C ATOM 1221 CG LEU A 79 0.384 -6.263 9.428 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.539 -5.488 8.129 1.00 0.00 C ATOM 1223 CD2 LEU A 79 1.360 -5.751 10.477 1.00 0.00 C ATOM 0 H LEU A 79 -0.672 -8.671 10.842 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.997 -6.001 12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.704 -6.687 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.350 -5.119 9.937 1.00 0.00 H new ATOM 0 HG LEU A 79 0.611 -7.311 9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.568 -5.567 7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.133 -5.901 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.293 -4.440 8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.378 -5.826 10.094 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.135 -4.709 10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.268 -6.350 11.383 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.104 -8.133 12.173 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.489 -8.513 12.421 1.00 0.00 C ATOM 1237 C ALA A 80 -5.170 -7.523 13.360 1.00 0.00 C ATOM 1238 O ALA A 80 -6.217 -6.955 13.048 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.555 -9.920 12.996 1.00 0.00 C ATOM 0 H ALA A 80 -2.415 -8.792 12.535 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.021 -8.496 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.595 -10.191 13.176 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.114 -10.623 12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.003 -9.956 13.935 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.566 -7.311 14.538 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.098 -6.390 15.546 1.00 0.00 C ATOM 1247 C PRO A 81 -4.986 -4.931 15.115 1.00 0.00 C ATOM 1248 O PRO A 81 -5.886 -4.393 14.472 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.216 -6.655 16.769 1.00 0.00 C ATOM 1250 CG PRO A 81 -2.940 -7.180 16.210 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.316 -7.954 14.977 1.00 0.00 C ATOM 0 HA PRO A 81 -6.161 -6.553 15.726 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.051 -5.743 17.343 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.679 -7.376 17.442 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.256 -6.367 15.967 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.431 -7.819 16.932 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.542 -7.892 14.212 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.464 -9.012 15.196 1.00 0.00 H new ATOM 1259 N SER A 82 -3.874 -4.297 15.473 1.00 0.00 N ATOM 1260 CA SER A 82 -3.646 -2.899 15.126 1.00 0.00 C ATOM 1261 C SER A 82 -2.333 -2.736 14.366 1.00 0.00 C ATOM 1262 O SER A 82 -1.295 -3.250 14.780 1.00 0.00 O ATOM 1263 CB SER A 82 -3.628 -2.034 16.388 1.00 0.00 C ATOM 1264 OG SER A 82 -2.838 -2.629 17.403 1.00 0.00 O ATOM 0 H SER A 82 -3.117 -4.729 16.003 1.00 0.00 H new ATOM 0 HA SER A 82 -4.463 -2.572 14.482 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.235 -1.046 16.150 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.646 -1.893 16.751 1.00 0.00 H new ATOM 0 HG SER A 82 -2.007 -2.972 17.012 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.388 -2.015 13.250 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.205 -1.781 12.433 1.00 0.00 C ATOM 1272 C ALA A 83 -1.158 -0.340 11.934 1.00 0.00 C ATOM 1273 O ALA A 83 -2.194 0.302 11.765 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.175 -2.749 11.259 1.00 0.00 C ATOM 0 H ALA A 83 -3.240 -1.583 12.892 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.325 -1.952 13.054 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.286 -2.563 10.657 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.153 -3.773 11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.065 -2.605 10.646 1.00 0.00 H new ATOM 1280 N SER A 84 0.051 0.161 11.702 1.00 0.00 N ATOM 1281 CA SER A 84 0.233 1.528 11.227 1.00 0.00 C ATOM 1282 C SER A 84 1.178 1.566 10.030 1.00 0.00 C ATOM 1283 O SER A 84 2.392 1.428 10.178 1.00 0.00 O ATOM 1284 CB SER A 84 0.779 2.412 12.350 1.00 0.00 C ATOM 1285 OG SER A 84 -0.005 2.288 13.524 1.00 0.00 O ATOM 0 H SER A 84 0.919 -0.359 11.835 1.00 0.00 H new ATOM 0 HA SER A 84 -0.739 1.910 10.913 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.810 2.134 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.791 3.452 12.025 1.00 0.00 H new ATOM 0 HG SER A 84 0.366 2.861 14.227 1.00 0.00 H new ATOM 1291 N VAL A 85 0.611 1.754 8.842 1.00 0.00 N ATOM 1292 CA VAL A 85 1.401 1.811 7.618 1.00 0.00 C ATOM 1293 C VAL A 85 1.531 3.244 7.115 1.00 0.00 C ATOM 1294 O VAL A 85 0.554 3.852 6.678 1.00 0.00 O ATOM 1295 CB VAL A 85 0.779 0.943 6.508 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.064 -0.530 6.759 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.717 1.196 6.410 1.00 0.00 C ATOM 0 H VAL A 85 -0.393 1.869 8.702 1.00 0.00 H new ATOM 0 HA VAL A 85 2.390 1.423 7.861 1.00 0.00 H new ATOM 0 HB VAL A 85 1.234 1.219 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.617 -1.128 5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.141 -0.695 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.638 -0.825 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.140 0.575 5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.191 0.949 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.894 2.246 6.179 1.00 0.00 H new ATOM 1307 N VAL A 86 2.746 3.780 7.178 1.00 0.00 N ATOM 1308 CA VAL A 86 3.006 5.142 6.728 1.00 0.00 C ATOM 1309 C VAL A 86 3.020 5.223 5.205 1.00 0.00 C ATOM 1310 O VAL A 86 3.651 4.406 4.534 1.00 0.00 O ATOM 1311 CB VAL A 86 4.348 5.667 7.271 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.149 6.347 8.618 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.358 4.534 7.380 1.00 0.00 C ATOM 0 H VAL A 86 3.566 3.291 7.537 1.00 0.00 H new ATOM 0 HA VAL A 86 2.199 5.763 7.116 1.00 0.00 H new ATOM 0 HB VAL A 86 4.740 6.406 6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.108 6.712 8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.461 7.185 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.735 5.632 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.301 4.923 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.976 3.770 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.521 4.096 6.395 1.00 0.00 H new ATOM 1323 N LEU A 87 2.321 6.215 4.665 1.00 0.00 N ATOM 1324 CA LEU A 87 2.253 6.405 3.220 1.00 0.00 C ATOM 1325 C LEU A 87 3.382 7.310 2.736 1.00 0.00 C ATOM 1326 O LEU A 87 3.538 8.435 3.213 1.00 0.00 O ATOM 1327 CB LEU A 87 0.901 7.004 2.828 1.00 0.00 C ATOM 1328 CG LEU A 87 0.672 7.223 1.332 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.804 7.094 0.993 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.203 8.584 0.905 1.00 0.00 C ATOM 0 H LEU A 87 1.793 6.900 5.206 1.00 0.00 H new ATOM 0 HA LEU A 87 2.364 5.430 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.114 6.350 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.789 7.962 3.336 1.00 0.00 H new ATOM 0 HG LEU A 87 1.217 6.454 0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.947 7.253 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.153 6.097 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.372 7.839 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.032 8.723 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.686 9.367 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.272 8.638 1.111 1.00 0.00 H new ATOM 1342 N LEU A 88 4.165 6.812 1.786 1.00 0.00 N ATOM 1343 CA LEU A 88 5.279 7.576 1.235 1.00 0.00 C ATOM 1344 C LEU A 88 4.986 8.009 -0.198 1.00 0.00 C ATOM 1345 O LEU A 88 4.837 7.187 -1.103 1.00 0.00 O ATOM 1346 CB LEU A 88 6.563 6.745 1.276 1.00 0.00 C ATOM 1347 CG LEU A 88 7.032 6.304 2.663 1.00 0.00 C ATOM 1348 CD1 LEU A 88 7.783 4.984 2.577 1.00 0.00 C ATOM 1349 CD2 LEU A 88 7.906 7.376 3.296 1.00 0.00 C ATOM 0 H LEU A 88 4.049 5.883 1.381 1.00 0.00 H new ATOM 0 HA LEU A 88 5.412 8.469 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.416 5.855 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.361 7.323 0.811 1.00 0.00 H new ATOM 0 HG LEU A 88 6.155 6.160 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.109 4.685 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.126 4.218 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.653 5.102 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.231 7.045 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.779 7.552 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.336 8.300 3.393 1.00 0.00 H new ATOM 1361 N PRO A 89 4.904 9.330 -0.412 1.00 0.00 N ATOM 1362 CA PRO A 89 4.631 9.903 -1.734 1.00 0.00 C ATOM 1363 C PRO A 89 5.800 9.721 -2.697 1.00 0.00 C ATOM 1364 O PRO A 89 6.960 9.728 -2.287 1.00 0.00 O ATOM 1365 CB PRO A 89 4.409 11.388 -1.438 1.00 0.00 C ATOM 1366 CG PRO A 89 5.161 11.640 -0.176 1.00 0.00 C ATOM 1367 CD PRO A 89 5.071 10.368 0.620 1.00 0.00 C ATOM 0 HA PRO A 89 3.784 9.420 -2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.779 12.013 -2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.349 11.614 -1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.199 11.897 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.730 12.476 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.969 10.202 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.229 10.386 1.312 1.00 0.00 H new ATOM 1375 N ALA A 90 5.485 9.559 -3.978 1.00 0.00 N ATOM 1376 CA ALA A 90 6.509 9.378 -4.999 1.00 0.00 C ATOM 1377 C ALA A 90 7.028 10.721 -5.500 1.00 0.00 C ATOM 1378 O ALA A 90 8.234 10.915 -5.649 1.00 0.00 O ATOM 1379 CB ALA A 90 5.961 8.556 -6.156 1.00 0.00 C ATOM 0 H ALA A 90 4.529 9.549 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 90 7.344 8.841 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.737 8.429 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.646 7.578 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.107 9.071 -6.596 1.00 0.00 H new ATOM 1385 N GLY A 91 6.109 11.646 -5.760 1.00 0.00 N ATOM 1386 CA GLY A 91 6.494 12.959 -6.243 1.00 0.00 C ATOM 1387 C GLY A 91 5.534 13.499 -7.284 1.00 0.00 C ATOM 1388 O GLY A 91 4.791 14.444 -7.022 1.00 0.00 O ATOM 0 H GLY A 91 5.105 11.509 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.541 13.652 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.496 12.906 -6.670 1.00 0.00 H new ATOM 1392 N ARG A 92 5.550 12.898 -8.470 1.00 0.00 N ATOM 1393 CA ARG A 92 4.675 13.326 -9.555 1.00 0.00 C ATOM 1394 C ARG A 92 3.341 12.586 -9.502 1.00 0.00 C ATOM 1395 O ARG A 92 3.272 11.404 -9.167 1.00 0.00 O ATOM 1396 CB ARG A 92 5.350 13.086 -10.907 1.00 0.00 C ATOM 1397 CG ARG A 92 5.692 11.628 -11.167 1.00 0.00 C ATOM 1398 CD ARG A 92 6.886 11.494 -12.099 1.00 0.00 C ATOM 1399 NE ARG A 92 8.153 11.668 -11.394 1.00 0.00 N ATOM 1400 CZ ARG A 92 9.312 11.881 -12.007 1.00 0.00 C ATOM 1401 NH1 ARG A 92 9.364 11.947 -13.330 1.00 0.00 N ATOM 1402 NH2 ARG A 92 10.423 12.029 -11.296 1.00 0.00 N ATOM 0 H ARG A 92 6.159 12.114 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 92 4.484 14.392 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.693 13.443 -11.700 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.263 13.679 -10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.909 11.130 -10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.830 11.123 -11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.867 10.513 -12.574 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.809 12.235 -12.895 1.00 0.00 H new ATOM 0 HE ARG A 92 8.148 11.624 -10.375 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.513 11.834 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.255 12.111 -13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.387 11.979 -10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.312 12.192 -11.768 1.00 0.00 H new ATOM 1416 N PRO A 93 2.256 13.298 -9.841 1.00 0.00 N ATOM 1417 CA PRO A 93 0.905 12.730 -9.840 1.00 0.00 C ATOM 1418 C PRO A 93 0.704 11.710 -10.956 1.00 0.00 C ATOM 1419 O PRO A 93 0.521 12.073 -12.117 1.00 0.00 O ATOM 1420 CB PRO A 93 0.007 13.950 -10.064 1.00 0.00 C ATOM 1421 CG PRO A 93 0.873 14.932 -10.775 1.00 0.00 C ATOM 1422 CD PRO A 93 2.265 14.712 -10.252 1.00 0.00 C ATOM 0 HA PRO A 93 0.691 12.189 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.870 13.692 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.356 14.354 -9.119 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.833 14.779 -11.853 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.542 15.953 -10.586 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.017 14.903 -11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.488 15.373 -9.414 1.00 0.00 H new ATOM 1430 N ALA A 94 0.741 10.431 -10.595 1.00 0.00 N ATOM 1431 CA ALA A 94 0.560 9.358 -11.565 1.00 0.00 C ATOM 1432 C ALA A 94 -0.914 9.167 -11.904 1.00 0.00 C ATOM 1433 O ALA A 94 -1.795 9.606 -11.164 1.00 0.00 O ATOM 1434 CB ALA A 94 1.155 8.062 -11.036 1.00 0.00 C ATOM 0 H ALA A 94 0.895 10.113 -9.638 1.00 0.00 H new ATOM 0 HA ALA A 94 1.082 9.637 -12.480 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.012 7.270 -11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.221 8.199 -10.852 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.659 7.787 -10.105 1.00 0.00 H new ATOM 1440 N THR A 95 -1.178 8.508 -13.028 1.00 0.00 N ATOM 1441 CA THR A 95 -2.545 8.259 -13.466 1.00 0.00 C ATOM 1442 C THR A 95 -2.871 6.770 -13.436 1.00 0.00 C ATOM 1443 O THR A 95 -2.030 5.935 -13.769 1.00 0.00 O ATOM 1444 CB THR A 95 -2.787 8.798 -14.889 1.00 0.00 C ATOM 1445 OG1 THR A 95 -4.146 8.570 -15.275 1.00 0.00 O ATOM 1446 CG2 THR A 95 -1.852 8.129 -15.886 1.00 0.00 C ATOM 0 H THR A 95 -0.462 8.137 -13.652 1.00 0.00 H new ATOM 0 HA THR A 95 -3.199 8.785 -12.770 1.00 0.00 H new ATOM 0 HB THR A 95 -2.586 9.869 -14.887 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.292 8.917 -16.180 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.041 8.525 -16.884 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.818 8.329 -15.606 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.027 7.053 -15.883 1.00 0.00 H new ATOM 1454 N SER A 96 -4.096 6.445 -13.037 1.00 0.00 N ATOM 1455 CA SER A 96 -4.531 5.055 -12.961 1.00 0.00 C ATOM 1456 C SER A 96 -5.873 4.867 -13.662 1.00 0.00 C ATOM 1457 O SER A 96 -6.806 5.644 -13.458 1.00 0.00 O ATOM 1458 CB SER A 96 -4.639 4.611 -11.501 1.00 0.00 C ATOM 1459 OG SER A 96 -4.736 3.201 -11.403 1.00 0.00 O ATOM 0 H SER A 96 -4.805 7.125 -12.761 1.00 0.00 H new ATOM 0 HA SER A 96 -3.787 4.439 -13.466 1.00 0.00 H new ATOM 0 HB2 SER A 96 -3.767 4.958 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.513 5.072 -11.041 1.00 0.00 H new ATOM 0 HG SER A 96 -4.802 2.942 -10.460 1.00 0.00 H new ATOM 1465 N ILE A 97 -5.961 3.830 -14.489 1.00 0.00 N ATOM 1466 CA ILE A 97 -7.188 3.539 -15.220 1.00 0.00 C ATOM 1467 C ILE A 97 -7.984 2.432 -14.538 1.00 0.00 C ATOM 1468 O ILE A 97 -7.413 1.494 -13.981 1.00 0.00 O ATOM 1469 CB ILE A 97 -6.893 3.123 -16.673 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -6.084 1.824 -16.700 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -6.148 4.232 -17.401 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -6.942 0.580 -16.770 1.00 0.00 C ATOM 0 H ILE A 97 -5.198 3.178 -14.669 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.777 4.456 -15.226 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.840 2.951 -17.185 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.412 1.841 -17.558 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.460 1.775 -15.808 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.947 3.923 -18.427 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.757 5.136 -17.407 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.206 4.433 -16.891 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.303 -0.303 -16.786 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.595 0.539 -15.898 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.547 0.606 -17.676 1.00 0.00 H new ATOM 1484 N VAL A 98 -9.308 2.546 -14.587 1.00 0.00 N ATOM 1485 CA VAL A 98 -10.184 1.553 -13.976 1.00 0.00 C ATOM 1486 C VAL A 98 -11.265 1.100 -14.951 1.00 0.00 C ATOM 1487 O VAL A 98 -12.134 1.882 -15.338 1.00 0.00 O ATOM 1488 CB VAL A 98 -10.854 2.103 -12.703 1.00 0.00 C ATOM 1489 CG1 VAL A 98 -11.856 1.101 -12.152 1.00 0.00 C ATOM 1490 CG2 VAL A 98 -9.805 2.451 -11.657 1.00 0.00 C ATOM 0 H VAL A 98 -9.797 3.316 -15.043 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.559 0.701 -13.709 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.393 3.015 -12.961 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -12.319 1.507 -11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.625 0.906 -12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -11.343 0.171 -11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.296 2.838 -10.764 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.237 1.557 -11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.130 3.208 -12.057 1.00 0.00 H new ATOM 1500 N HIS A 99 -11.206 -0.168 -15.345 1.00 0.00 N ATOM 1501 CA HIS A 99 -12.181 -0.726 -16.275 1.00 0.00 C ATOM 1502 C HIS A 99 -12.853 -1.961 -15.681 1.00 0.00 C ATOM 1503 O HIS A 99 -12.274 -3.046 -15.663 1.00 0.00 O ATOM 1504 CB HIS A 99 -11.507 -1.086 -17.599 1.00 0.00 C ATOM 1505 CG HIS A 99 -11.351 0.079 -18.528 1.00 0.00 C ATOM 1506 ND1 HIS A 99 -12.410 0.865 -18.933 1.00 0.00 N ATOM 1507 CD2 HIS A 99 -10.252 0.591 -19.130 1.00 0.00 C ATOM 1508 CE1 HIS A 99 -11.969 1.809 -19.745 1.00 0.00 C ATOM 1509 NE2 HIS A 99 -10.663 1.665 -19.881 1.00 0.00 N ATOM 0 H HIS A 99 -10.493 -0.828 -15.035 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.945 0.030 -16.458 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -10.524 -1.510 -17.393 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.091 -1.861 -18.096 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.241 0.224 -19.037 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.573 2.569 -20.217 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -10.058 2.256 -20.451 1.00 0.00 H new ATOM 1518 N SER A 100 -14.078 -1.786 -15.196 1.00 0.00 N ATOM 1519 CA SER A 100 -14.827 -2.884 -14.597 1.00 0.00 C ATOM 1520 C SER A 100 -16.253 -2.454 -14.268 1.00 0.00 C ATOM 1521 O SER A 100 -16.509 -1.284 -13.980 1.00 0.00 O ATOM 1522 CB SER A 100 -14.125 -3.377 -13.330 1.00 0.00 C ATOM 1523 OG SER A 100 -14.738 -4.555 -12.834 1.00 0.00 O ATOM 0 H SER A 100 -14.573 -0.894 -15.206 1.00 0.00 H new ATOM 0 HA SER A 100 -14.870 -3.698 -15.320 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.074 -3.573 -13.545 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.155 -2.599 -12.567 1.00 0.00 H new ATOM 0 HG SER A 100 -14.271 -4.851 -12.025 1.00 0.00 H new ATOM 1529 N SER A 101 -17.178 -3.407 -14.312 1.00 0.00 N ATOM 1530 CA SER A 101 -18.579 -3.127 -14.022 1.00 0.00 C ATOM 1531 C SER A 101 -18.883 -3.348 -12.544 1.00 0.00 C ATOM 1532 O SER A 101 -18.012 -3.754 -11.774 1.00 0.00 O ATOM 1533 CB SER A 101 -19.486 -4.013 -14.879 1.00 0.00 C ATOM 1534 OG SER A 101 -20.816 -3.525 -14.886 1.00 0.00 O ATOM 0 H SER A 101 -16.982 -4.380 -14.546 1.00 0.00 H new ATOM 0 HA SER A 101 -18.772 -2.081 -14.262 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.104 -4.051 -15.899 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.472 -5.033 -14.495 1.00 0.00 H new ATOM 0 HG SER A 101 -21.375 -4.107 -15.442 1.00 0.00 H new ATOM 1540 N SER A 102 -20.125 -3.078 -12.154 1.00 0.00 N ATOM 1541 CA SER A 102 -20.544 -3.244 -10.767 1.00 0.00 C ATOM 1542 C SER A 102 -21.592 -4.346 -10.644 1.00 0.00 C ATOM 1543 O SER A 102 -21.362 -5.366 -9.997 1.00 0.00 O ATOM 1544 CB SER A 102 -21.103 -1.929 -10.221 1.00 0.00 C ATOM 1545 OG SER A 102 -20.060 -1.058 -9.821 1.00 0.00 O ATOM 0 H SER A 102 -20.858 -2.743 -12.779 1.00 0.00 H new ATOM 0 HA SER A 102 -19.671 -3.531 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.713 -1.445 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 102 -21.756 -2.132 -9.373 1.00 0.00 H new ATOM 0 HG SER A 102 -20.444 -0.224 -9.478 1.00 0.00 H new ATOM 1551 N GLY A 103 -22.744 -4.130 -11.271 1.00 0.00 N ATOM 1552 CA GLY A 103 -23.811 -5.113 -11.220 1.00 0.00 C ATOM 1553 C GLY A 103 -24.462 -5.192 -9.853 1.00 0.00 C ATOM 1554 O GLY A 103 -23.827 -5.596 -8.879 1.00 0.00 O ATOM 0 H GLY A 103 -22.958 -3.293 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -24.567 -4.863 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -23.412 -6.092 -11.486 1.00 0.00 H new ATOM 1558 N ASP A 104 -25.730 -4.803 -9.780 1.00 0.00 N ATOM 1559 CA ASP A 104 -26.467 -4.831 -8.522 1.00 0.00 C ATOM 1560 C ASP A 104 -27.342 -6.078 -8.432 1.00 0.00 C ATOM 1561 O ASP A 104 -27.830 -6.580 -9.445 1.00 0.00 O ATOM 1562 CB ASP A 104 -27.331 -3.576 -8.385 1.00 0.00 C ATOM 1563 CG ASP A 104 -27.829 -3.369 -6.968 1.00 0.00 C ATOM 1564 OD1 ASP A 104 -27.044 -2.882 -6.128 1.00 0.00 O ATOM 1565 OD2 ASP A 104 -29.005 -3.694 -6.700 1.00 0.00 O ATOM 0 H ASP A 104 -26.269 -4.465 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 104 -25.744 -4.857 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -26.754 -2.705 -8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -28.184 -3.650 -9.060 1.00 0.00 H new ATOM 1570 N ILE A 105 -27.534 -6.573 -7.214 1.00 0.00 N ATOM 1571 CA ILE A 105 -28.350 -7.760 -6.993 1.00 0.00 C ATOM 1572 C ILE A 105 -29.764 -7.384 -6.565 1.00 0.00 C ATOM 1573 O ILE A 105 -29.984 -6.331 -5.966 1.00 0.00 O ATOM 1574 CB ILE A 105 -27.729 -8.678 -5.923 1.00 0.00 C ATOM 1575 CG1 ILE A 105 -26.319 -9.103 -6.341 1.00 0.00 C ATOM 1576 CG2 ILE A 105 -28.610 -9.897 -5.695 1.00 0.00 C ATOM 1577 CD1 ILE A 105 -25.466 -9.582 -5.187 1.00 0.00 C ATOM 0 H ILE A 105 -27.136 -6.171 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 105 -28.391 -8.296 -7.941 1.00 0.00 H new ATOM 0 HB ILE A 105 -27.659 -8.125 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -26.393 -9.898 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -25.823 -8.261 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -28.158 -10.536 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -29.596 -9.576 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -28.709 -10.454 -6.627 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -24.481 -9.867 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -25.362 -8.781 -4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -25.940 -10.444 -4.717 1.00 0.00 H new ATOM 1589 N LEU A 106 -30.720 -8.253 -6.874 1.00 0.00 N ATOM 1590 CA LEU A 106 -32.115 -8.013 -6.520 1.00 0.00 C ATOM 1591 C LEU A 106 -32.782 -9.297 -6.036 1.00 0.00 C ATOM 1592 O LEU A 106 -32.551 -10.373 -6.586 1.00 0.00 O ATOM 1593 CB LEU A 106 -32.878 -7.451 -7.721 1.00 0.00 C ATOM 1594 CG LEU A 106 -33.459 -8.481 -8.689 1.00 0.00 C ATOM 1595 CD1 LEU A 106 -34.870 -8.868 -8.274 1.00 0.00 C ATOM 1596 CD2 LEU A 106 -33.450 -7.941 -10.112 1.00 0.00 C ATOM 0 H LEU A 106 -30.555 -9.130 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 106 -32.138 -7.284 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -33.694 -6.831 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -32.208 -6.796 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 106 -32.834 -9.374 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -35.267 -9.602 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -34.850 -9.297 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -35.506 -7.983 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -33.867 -8.688 -10.787 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -34.050 -7.033 -10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -32.426 -7.715 -10.409 1.00 0.00 H new ATOM 1608 N MET A 107 -33.611 -9.174 -5.005 1.00 0.00 N ATOM 1609 CA MET A 107 -34.315 -10.324 -4.449 1.00 0.00 C ATOM 1610 C MET A 107 -35.782 -9.994 -4.195 1.00 0.00 C ATOM 1611 O MET A 107 -36.121 -8.863 -3.845 1.00 0.00 O ATOM 1612 CB MET A 107 -33.649 -10.776 -3.147 1.00 0.00 C ATOM 1613 CG MET A 107 -33.867 -12.247 -2.832 1.00 0.00 C ATOM 1614 SD MET A 107 -33.307 -12.693 -1.177 1.00 0.00 S ATOM 1615 CE MET A 107 -34.383 -11.676 -0.170 1.00 0.00 C ATOM 0 H MET A 107 -33.812 -8.290 -4.538 1.00 0.00 H new ATOM 0 HA MET A 107 -34.264 -11.135 -5.176 1.00 0.00 H new ATOM 0 HB2 MET A 107 -32.578 -10.581 -3.209 1.00 0.00 H new ATOM 0 HB3 MET A 107 -34.035 -10.175 -2.323 1.00 0.00 H new ATOM 0 HG2 MET A 107 -34.927 -12.482 -2.928 1.00 0.00 H new ATOM 0 HG3 MET A 107 -33.338 -12.854 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 107 -34.706 -12.242 0.704 1.00 0.00 H new ATOM 0 HE2 MET A 107 -33.844 -10.785 0.153 1.00 0.00 H new ATOM 0 HE3 MET A 107 -35.255 -11.380 -0.753 1.00 0.00 H new ATOM 1625 N ILE A 108 -36.647 -10.986 -4.373 1.00 0.00 N ATOM 1626 CA ILE A 108 -38.077 -10.800 -4.162 1.00 0.00 C ATOM 1627 C ILE A 108 -38.544 -11.515 -2.899 1.00 0.00 C ATOM 1628 O ILE A 108 -38.037 -12.582 -2.554 1.00 0.00 O ATOM 1629 CB ILE A 108 -38.895 -11.314 -5.362 1.00 0.00 C ATOM 1630 CG1 ILE A 108 -38.475 -10.588 -6.642 1.00 0.00 C ATOM 1631 CG2 ILE A 108 -40.383 -11.131 -5.106 1.00 0.00 C ATOM 1632 CD1 ILE A 108 -37.338 -11.264 -7.375 1.00 0.00 C ATOM 0 H ILE A 108 -36.382 -11.927 -4.663 1.00 0.00 H new ATOM 0 HA ILE A 108 -38.243 -9.728 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 108 -38.697 -12.378 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -39.335 -10.517 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -38.180 -9.569 -6.392 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -40.948 -11.499 -5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -40.670 -11.690 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -40.599 -10.073 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -37.094 -10.695 -8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -36.464 -11.311 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -37.636 -12.274 -7.656 1.00 0.00 H new ATOM 1644 N ASP A 109 -39.516 -10.921 -2.215 1.00 0.00 N ATOM 1645 CA ASP A 109 -40.054 -11.503 -0.991 1.00 0.00 C ATOM 1646 C ASP A 109 -40.110 -13.024 -1.090 1.00 0.00 C ATOM 1647 O ASP A 109 -40.968 -13.580 -1.776 1.00 0.00 O ATOM 1648 CB ASP A 109 -41.451 -10.946 -0.708 1.00 0.00 C ATOM 1649 CG ASP A 109 -41.860 -11.118 0.742 1.00 0.00 C ATOM 1650 OD1 ASP A 109 -41.996 -12.276 1.187 1.00 0.00 O ATOM 1651 OD2 ASP A 109 -42.043 -10.093 1.431 1.00 0.00 O ATOM 0 H ASP A 109 -39.947 -10.038 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 109 -39.390 -11.235 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -41.476 -9.887 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -42.176 -11.448 -1.349 1.00 0.00 H new TER 1656 ASP A 109