USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.45 K(o=-5.5,f=-3) USER MOD Set 1.2: A 52 MET CE :methyl -149:sc= -4.09 (180deg=-4.59!) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.0366! USER MOD Set 2.2: A 29 SER OG : rot 180:sc= 0.16 USER MOD Single : A 5 THR OG1 : rot -68:sc= -0.049 USER MOD Single : A 8 GLN : amide:sc= -5.02! C(o=-5!,f=-5.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.83) USER MOD Single : A 24 ASN : amide:sc= -9.44! C(o=-9.4!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 101:sc= 0.056 USER MOD Single : A 34 THR OG1 : rot 15:sc= 0.0927 USER MOD Single : A 44 SER OG : rot -44:sc= 0.894 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -7.99! C(o=-8!,f=-15!) USER MOD Single : A 61 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-2.9!) USER MOD Single : A 62 GLN : amide:sc= -4.24! C(o=-4.2!,f=-6.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 158:sc= -5.02! (180deg=-6.22!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.408 0.369 -19.232 1.00 0.00 N ATOM 40 CA LEU A 4 -14.507 0.304 -18.044 1.00 0.00 C ATOM 41 C LEU A 4 -15.316 -0.051 -16.789 1.00 0.00 C ATOM 42 O LEU A 4 -15.752 -1.174 -16.625 1.00 0.00 O ATOM 43 CB LEU A 4 -13.892 1.702 -17.933 1.00 0.00 C ATOM 44 CG LEU A 4 -14.973 2.761 -18.157 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.640 4.013 -17.345 1.00 0.00 C ATOM 46 CD2 LEU A 4 -15.033 3.120 -19.644 1.00 0.00 C ATOM 0 HA LEU A 4 -13.737 -0.461 -18.143 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.439 1.833 -16.950 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.097 1.819 -18.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.938 2.367 -17.837 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.411 4.767 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.596 3.759 -16.286 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.675 4.407 -17.664 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.803 3.875 -19.805 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.067 3.513 -19.963 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.271 2.229 -20.224 1.00 0.00 H new ATOM 58 N THR A 5 -15.524 0.885 -15.900 1.00 0.00 N ATOM 59 CA THR A 5 -16.310 0.578 -14.669 1.00 0.00 C ATOM 60 C THR A 5 -15.749 -0.670 -13.982 1.00 0.00 C ATOM 61 O THR A 5 -14.559 -0.917 -14.000 1.00 0.00 O ATOM 62 CB THR A 5 -17.742 0.322 -15.154 1.00 0.00 C ATOM 63 OG1 THR A 5 -17.849 -1.018 -15.616 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.089 1.286 -16.292 1.00 0.00 C ATOM 0 H THR A 5 -15.185 1.844 -15.973 1.00 0.00 H new ATOM 0 HA THR A 5 -16.267 1.391 -13.944 1.00 0.00 H new ATOM 0 HB THR A 5 -18.436 0.482 -14.329 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.320 -1.125 -16.434 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.108 1.097 -16.631 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.009 2.313 -15.936 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.397 1.135 -17.121 1.00 0.00 H new ATOM 72 N GLU A 6 -16.596 -1.458 -13.378 1.00 0.00 N ATOM 73 CA GLU A 6 -16.114 -2.691 -12.693 1.00 0.00 C ATOM 74 C GLU A 6 -15.060 -3.393 -13.552 1.00 0.00 C ATOM 75 O GLU A 6 -14.137 -4.002 -13.049 1.00 0.00 O ATOM 76 CB GLU A 6 -17.358 -3.566 -12.539 1.00 0.00 C ATOM 77 CG GLU A 6 -17.717 -4.197 -13.887 1.00 0.00 C ATOM 78 CD GLU A 6 -18.918 -5.126 -13.713 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.444 -5.183 -12.612 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.294 -5.766 -14.681 1.00 0.00 O ATOM 0 H GLU A 6 -17.603 -1.301 -13.329 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.646 -2.478 -11.732 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.177 -4.345 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.192 -2.967 -12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.948 -3.419 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.866 -4.755 -14.277 1.00 0.00 H new ATOM 87 N GLU A 7 -15.191 -3.303 -14.845 1.00 0.00 N ATOM 88 CA GLU A 7 -14.196 -3.954 -15.742 1.00 0.00 C ATOM 89 C GLU A 7 -12.837 -3.278 -15.572 1.00 0.00 C ATOM 90 O GLU A 7 -11.825 -3.926 -15.392 1.00 0.00 O ATOM 91 CB GLU A 7 -14.734 -3.739 -17.157 1.00 0.00 C ATOM 92 CG GLU A 7 -14.158 -4.805 -18.090 1.00 0.00 C ATOM 93 CD GLU A 7 -15.299 -5.612 -18.711 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.789 -6.514 -18.050 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.665 -5.315 -19.836 1.00 0.00 O ATOM 0 H GLU A 7 -15.945 -2.806 -15.320 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.061 -5.013 -15.522 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.823 -3.792 -17.155 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.464 -2.745 -17.513 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.563 -4.335 -18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.491 -5.466 -17.536 1.00 0.00 H new ATOM 102 N GLN A 8 -12.810 -1.973 -15.612 1.00 0.00 N ATOM 103 CA GLN A 8 -11.516 -1.258 -15.435 1.00 0.00 C ATOM 104 C GLN A 8 -11.076 -1.379 -13.974 1.00 0.00 C ATOM 105 O GLN A 8 -9.939 -1.685 -13.678 1.00 0.00 O ATOM 106 CB GLN A 8 -11.799 0.202 -15.829 1.00 0.00 C ATOM 107 CG GLN A 8 -12.245 1.017 -14.608 1.00 0.00 C ATOM 108 CD GLN A 8 -12.361 2.493 -14.995 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.563 2.998 -15.759 1.00 0.00 O ATOM 110 NE2 GLN A 8 -13.330 3.211 -14.496 1.00 0.00 N ATOM 0 H GLN A 8 -13.623 -1.375 -15.759 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.711 -1.668 -16.045 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.903 0.647 -16.262 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.573 0.233 -16.596 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.204 0.649 -14.242 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.527 0.898 -13.796 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.000 2.787 -13.854 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.417 4.196 -14.748 1.00 0.00 H new ATOM 119 N ILE A 9 -11.982 -1.154 -13.062 1.00 0.00 N ATOM 120 CA ILE A 9 -11.635 -1.268 -11.621 1.00 0.00 C ATOM 121 C ILE A 9 -11.016 -2.637 -11.347 1.00 0.00 C ATOM 122 O ILE A 9 -9.866 -2.745 -10.979 1.00 0.00 O ATOM 123 CB ILE A 9 -12.965 -1.134 -10.884 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.573 0.240 -11.169 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.729 -1.289 -9.382 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.090 0.171 -10.999 1.00 0.00 C ATOM 0 H ILE A 9 -12.950 -0.896 -13.255 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.914 -0.514 -11.305 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.651 -1.909 -11.227 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.154 0.983 -10.490 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.324 0.557 -12.182 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.677 -1.194 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.298 -2.270 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.043 -0.514 -9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.524 1.150 -11.202 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.501 -0.560 -11.696 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.329 -0.127 -9.978 1.00 0.00 H new ATOM 138 N ALA A 10 -11.772 -3.686 -11.530 1.00 0.00 N ATOM 139 CA ALA A 10 -11.219 -5.048 -11.283 1.00 0.00 C ATOM 140 C ALA A 10 -9.813 -5.152 -11.878 1.00 0.00 C ATOM 141 O ALA A 10 -8.881 -5.595 -11.232 1.00 0.00 O ATOM 142 CB ALA A 10 -12.178 -6.002 -11.995 1.00 0.00 C ATOM 0 H ALA A 10 -12.744 -3.659 -11.838 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.136 -5.279 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.838 -7.029 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.178 -5.893 -11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.203 -5.766 -13.059 1.00 0.00 H new ATOM 148 N GLU A 11 -9.653 -4.736 -13.105 1.00 0.00 N ATOM 149 CA GLU A 11 -8.307 -4.802 -13.742 1.00 0.00 C ATOM 150 C GLU A 11 -7.322 -3.932 -12.959 1.00 0.00 C ATOM 151 O GLU A 11 -6.188 -4.305 -12.734 1.00 0.00 O ATOM 152 CB GLU A 11 -8.508 -4.248 -15.154 1.00 0.00 C ATOM 153 CG GLU A 11 -8.897 -5.388 -16.097 1.00 0.00 C ATOM 154 CD GLU A 11 -7.747 -5.661 -17.070 1.00 0.00 C ATOM 155 OE1 GLU A 11 -7.448 -4.785 -17.863 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.186 -6.743 -17.004 1.00 0.00 O ATOM 0 H GLU A 11 -10.394 -4.354 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.902 -5.814 -13.759 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.285 -3.484 -15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.593 -3.769 -15.502 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.124 -6.287 -15.524 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.800 -5.126 -16.649 1.00 0.00 H new ATOM 163 N PHE A 12 -7.753 -2.775 -12.535 1.00 0.00 N ATOM 164 CA PHE A 12 -6.850 -1.883 -11.758 1.00 0.00 C ATOM 165 C PHE A 12 -6.507 -2.537 -10.417 1.00 0.00 C ATOM 166 O PHE A 12 -5.356 -2.645 -10.047 1.00 0.00 O ATOM 167 CB PHE A 12 -7.650 -0.597 -11.548 1.00 0.00 C ATOM 168 CG PHE A 12 -7.760 0.142 -12.862 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.629 0.300 -13.670 1.00 0.00 C ATOM 170 CD2 PHE A 12 -8.992 0.668 -13.273 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.727 0.982 -14.888 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.089 1.352 -14.491 1.00 0.00 C ATOM 173 CZ PHE A 12 -7.956 1.509 -15.298 1.00 0.00 C ATOM 0 H PHE A 12 -8.692 -2.410 -12.694 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.907 -1.690 -12.269 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.643 -0.831 -11.165 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.161 0.032 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.679 -0.105 -13.353 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.866 0.546 -12.651 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.853 1.101 -15.512 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.038 1.758 -14.808 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.031 2.037 -16.237 1.00 0.00 H new ATOM 183 N LYS A 13 -7.502 -2.980 -9.695 1.00 0.00 N ATOM 184 CA LYS A 13 -7.241 -3.638 -8.384 1.00 0.00 C ATOM 185 C LYS A 13 -6.035 -4.566 -8.512 1.00 0.00 C ATOM 186 O LYS A 13 -5.077 -4.461 -7.773 1.00 0.00 O ATOM 187 CB LYS A 13 -8.508 -4.440 -8.080 1.00 0.00 C ATOM 188 CG LYS A 13 -9.509 -3.552 -7.338 1.00 0.00 C ATOM 189 CD LYS A 13 -10.411 -4.423 -6.461 1.00 0.00 C ATOM 190 CE LYS A 13 -10.981 -3.580 -5.318 1.00 0.00 C ATOM 191 NZ LYS A 13 -10.282 -4.067 -4.096 1.00 0.00 N ATOM 0 H LYS A 13 -8.485 -2.914 -9.958 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.020 -2.923 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.949 -4.808 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.262 -5.313 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.980 -2.824 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.111 -2.989 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.222 -4.841 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.844 -5.263 -6.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.798 -2.518 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.060 -3.708 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.620 -3.536 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.480 -5.079 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.257 -3.926 -4.203 1.00 0.00 H new ATOM 205 N GLU A 14 -6.066 -5.465 -9.458 1.00 0.00 N ATOM 206 CA GLU A 14 -4.906 -6.381 -9.640 1.00 0.00 C ATOM 207 C GLU A 14 -3.636 -5.548 -9.822 1.00 0.00 C ATOM 208 O GLU A 14 -2.615 -5.805 -9.214 1.00 0.00 O ATOM 209 CB GLU A 14 -5.218 -7.175 -10.909 1.00 0.00 C ATOM 210 CG GLU A 14 -4.684 -8.601 -10.763 1.00 0.00 C ATOM 211 CD GLU A 14 -3.167 -8.560 -10.565 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.740 -8.187 -9.485 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.458 -8.904 -11.496 1.00 0.00 O ATOM 0 H GLU A 14 -6.839 -5.604 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.748 -7.042 -8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.294 -7.194 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.764 -6.692 -11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.159 -9.094 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.930 -9.185 -11.650 1.00 0.00 H new ATOM 220 N ALA A 15 -3.699 -4.538 -10.648 1.00 0.00 N ATOM 221 CA ALA A 15 -2.504 -3.674 -10.862 1.00 0.00 C ATOM 222 C ALA A 15 -2.138 -2.971 -9.554 1.00 0.00 C ATOM 223 O ALA A 15 -0.996 -2.966 -9.141 1.00 0.00 O ATOM 224 CB ALA A 15 -2.930 -2.655 -11.918 1.00 0.00 C ATOM 0 H ALA A 15 -4.526 -4.275 -11.183 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.630 -4.242 -11.182 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.100 -1.981 -12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.216 -3.176 -12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.779 -2.080 -11.547 1.00 0.00 H new ATOM 230 N PHE A 16 -3.100 -2.381 -8.894 1.00 0.00 N ATOM 231 CA PHE A 16 -2.794 -1.689 -7.612 1.00 0.00 C ATOM 232 C PHE A 16 -1.890 -2.576 -6.759 1.00 0.00 C ATOM 233 O PHE A 16 -0.764 -2.229 -6.462 1.00 0.00 O ATOM 234 CB PHE A 16 -4.141 -1.490 -6.917 1.00 0.00 C ATOM 235 CG PHE A 16 -3.892 -1.039 -5.498 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.534 0.289 -5.240 1.00 0.00 C ATOM 237 CD2 PHE A 16 -4.008 -1.951 -4.441 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.293 0.706 -3.926 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.765 -1.533 -3.127 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.409 -0.205 -2.871 1.00 0.00 C ATOM 0 H PHE A 16 -4.077 -2.349 -9.186 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.281 -0.740 -7.770 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.735 -0.748 -7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.710 -2.419 -6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.444 0.992 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.285 -2.976 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.017 1.731 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.852 -2.236 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.223 0.118 -1.857 1.00 0.00 H new ATOM 250 N ALA A 17 -2.373 -3.726 -6.368 1.00 0.00 N ATOM 251 CA ALA A 17 -1.536 -4.637 -5.543 1.00 0.00 C ATOM 252 C ALA A 17 -0.124 -4.692 -6.126 1.00 0.00 C ATOM 253 O ALA A 17 0.856 -4.551 -5.422 1.00 0.00 O ATOM 254 CB ALA A 17 -2.216 -6.003 -5.640 1.00 0.00 C ATOM 0 H ALA A 17 -3.308 -4.070 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.449 -4.309 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.655 -6.731 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.232 -5.932 -5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.247 -6.321 -6.682 1.00 0.00 H new ATOM 260 N LEU A 18 -0.013 -4.883 -7.414 1.00 0.00 N ATOM 261 CA LEU A 18 1.338 -4.927 -8.039 1.00 0.00 C ATOM 262 C LEU A 18 2.163 -3.738 -7.545 1.00 0.00 C ATOM 263 O LEU A 18 3.323 -3.868 -7.210 1.00 0.00 O ATOM 264 CB LEU A 18 1.086 -4.822 -9.544 1.00 0.00 C ATOM 265 CG LEU A 18 2.021 -5.777 -10.287 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.952 -5.495 -11.789 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.455 -5.571 -9.795 1.00 0.00 C ATOM 0 H LEU A 18 -0.796 -5.010 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 18 1.889 -5.834 -7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.047 -5.066 -9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.252 -3.799 -9.881 1.00 0.00 H new ATOM 0 HG LEU A 18 1.715 -6.806 -10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.619 -6.176 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.931 -5.641 -12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.258 -4.466 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.122 -6.251 -10.324 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.761 -4.542 -9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.505 -5.773 -8.725 1.00 0.00 H new ATOM 279 N PHE A 19 1.562 -2.579 -7.486 1.00 0.00 N ATOM 280 CA PHE A 19 2.301 -1.381 -6.998 1.00 0.00 C ATOM 281 C PHE A 19 2.567 -1.521 -5.497 1.00 0.00 C ATOM 282 O PHE A 19 3.666 -1.302 -5.027 1.00 0.00 O ATOM 283 CB PHE A 19 1.367 -0.199 -7.271 1.00 0.00 C ATOM 284 CG PHE A 19 1.265 0.037 -8.759 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.387 0.465 -9.478 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.049 -0.171 -9.421 1.00 0.00 C ATOM 287 CE1 PHE A 19 2.294 0.686 -10.856 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.045 0.050 -10.800 1.00 0.00 C ATOM 289 CZ PHE A 19 1.078 0.479 -11.518 1.00 0.00 C ATOM 0 H PHE A 19 0.592 -2.412 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 19 3.266 -1.253 -7.489 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.379 -0.401 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.744 0.696 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.326 0.625 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.817 -0.502 -8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.161 1.016 -11.409 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.983 -0.110 -11.310 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.006 0.650 -12.582 1.00 0.00 H new ATOM 299 N ASP A 20 1.566 -1.894 -4.746 1.00 0.00 N ATOM 300 CA ASP A 20 1.754 -2.061 -3.276 1.00 0.00 C ATOM 301 C ASP A 20 2.520 -3.356 -2.993 1.00 0.00 C ATOM 302 O ASP A 20 1.965 -4.326 -2.517 1.00 0.00 O ATOM 303 CB ASP A 20 0.338 -2.141 -2.702 1.00 0.00 C ATOM 304 CG ASP A 20 0.410 -2.458 -1.207 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.436 -2.176 -0.611 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.561 -2.978 -0.685 1.00 0.00 O ATOM 0 H ASP A 20 0.625 -2.090 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 20 2.326 -1.245 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.183 -1.197 -2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.233 -2.911 -3.221 1.00 0.00 H new ATOM 311 N LYS A 21 3.791 -3.381 -3.289 1.00 0.00 N ATOM 312 CA LYS A 21 4.593 -4.614 -3.044 1.00 0.00 C ATOM 313 C LYS A 21 4.294 -5.186 -1.655 1.00 0.00 C ATOM 314 O LYS A 21 4.486 -6.360 -1.405 1.00 0.00 O ATOM 315 CB LYS A 21 6.050 -4.163 -3.138 1.00 0.00 C ATOM 316 CG LYS A 21 6.502 -4.205 -4.598 1.00 0.00 C ATOM 317 CD LYS A 21 7.404 -5.422 -4.819 1.00 0.00 C ATOM 318 CE LYS A 21 6.541 -6.652 -5.103 1.00 0.00 C ATOM 319 NZ LYS A 21 6.551 -6.794 -6.586 1.00 0.00 N ATOM 0 H LYS A 21 4.310 -2.600 -3.690 1.00 0.00 H new ATOM 0 HA LYS A 21 4.361 -5.402 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.156 -3.153 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.683 -4.811 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.635 -4.257 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.039 -3.291 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.081 -5.239 -5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.023 -5.594 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.947 -7.540 -4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.527 -6.519 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.979 -7.618 -6.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.153 -5.937 -7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.529 -6.926 -6.915 1.00 0.00 H new ATOM 333 N ASP A 22 3.830 -4.371 -0.749 1.00 0.00 N ATOM 334 CA ASP A 22 3.524 -4.880 0.620 1.00 0.00 C ATOM 335 C ASP A 22 2.096 -5.429 0.672 1.00 0.00 C ATOM 336 O ASP A 22 1.729 -6.146 1.580 1.00 0.00 O ATOM 337 CB ASP A 22 3.667 -3.665 1.538 1.00 0.00 C ATOM 338 CG ASP A 22 4.931 -2.886 1.168 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.860 -3.505 0.675 1.00 0.00 O ATOM 340 OD2 ASP A 22 4.949 -1.686 1.385 1.00 0.00 O ATOM 0 H ASP A 22 3.649 -3.378 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 22 4.187 -5.693 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.792 -3.022 1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.718 -3.987 2.578 1.00 0.00 H new ATOM 345 N ASN A 23 1.290 -5.099 -0.299 1.00 0.00 N ATOM 346 CA ASN A 23 -0.114 -5.603 -0.309 1.00 0.00 C ATOM 347 C ASN A 23 -0.869 -5.089 0.917 1.00 0.00 C ATOM 348 O ASN A 23 -1.892 -5.623 1.297 1.00 0.00 O ATOM 349 CB ASN A 23 -0.004 -7.126 -0.252 1.00 0.00 C ATOM 350 CG ASN A 23 1.158 -7.601 -1.129 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.095 -7.522 -2.339 1.00 0.00 O ATOM 352 ND2 ASN A 23 2.227 -8.094 -0.564 1.00 0.00 N ATOM 0 H ASN A 23 1.542 -4.502 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.656 -5.266 -1.192 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.151 -7.449 0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.935 -7.579 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.007 -8.412 -1.139 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.282 -8.161 0.452 1.00 0.00 H new ATOM 359 N ASN A 24 -0.377 -4.054 1.541 1.00 0.00 N ATOM 360 CA ASN A 24 -1.074 -3.508 2.739 1.00 0.00 C ATOM 361 C ASN A 24 -2.266 -2.652 2.306 1.00 0.00 C ATOM 362 O ASN A 24 -2.886 -1.982 3.108 1.00 0.00 O ATOM 363 CB ASN A 24 -0.032 -2.647 3.453 1.00 0.00 C ATOM 364 CG ASN A 24 1.303 -3.393 3.506 1.00 0.00 C ATOM 365 OD1 ASN A 24 2.350 -2.781 3.564 1.00 0.00 O ATOM 366 ND2 ASN A 24 1.308 -4.698 3.490 1.00 0.00 N ATOM 0 H ASN A 24 0.476 -3.564 1.273 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.460 -4.296 3.385 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.091 -1.699 2.930 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.369 -2.413 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.192 -5.205 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.428 -5.211 3.441 1.00 0.00 H new ATOM 373 N GLY A 25 -2.587 -2.662 1.041 1.00 0.00 N ATOM 374 CA GLY A 25 -3.732 -1.841 0.559 1.00 0.00 C ATOM 375 C GLY A 25 -3.279 -0.389 0.407 1.00 0.00 C ATOM 376 O GLY A 25 -4.080 0.514 0.278 1.00 0.00 O ATOM 0 H GLY A 25 -2.106 -3.203 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.093 -2.224 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.562 -1.904 1.263 1.00 0.00 H new ATOM 380 N SER A 26 -1.993 -0.161 0.420 1.00 0.00 N ATOM 381 CA SER A 26 -1.480 1.228 0.274 1.00 0.00 C ATOM 382 C SER A 26 -0.165 1.221 -0.511 1.00 0.00 C ATOM 383 O SER A 26 0.645 0.324 -0.376 1.00 0.00 O ATOM 384 CB SER A 26 -1.252 1.720 1.703 1.00 0.00 C ATOM 385 OG SER A 26 0.018 2.353 1.787 1.00 0.00 O ATOM 0 H SER A 26 -1.276 -0.879 0.526 1.00 0.00 H new ATOM 0 HA SER A 26 -2.172 1.871 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.038 2.419 1.989 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.300 0.883 2.400 1.00 0.00 H new ATOM 0 HG SER A 26 0.165 2.671 2.702 1.00 0.00 H new ATOM 391 N ILE A 27 0.051 2.210 -1.331 1.00 0.00 N ATOM 392 CA ILE A 27 1.311 2.259 -2.127 1.00 0.00 C ATOM 393 C ILE A 27 2.203 3.401 -1.626 1.00 0.00 C ATOM 394 O ILE A 27 1.744 4.495 -1.369 1.00 0.00 O ATOM 395 CB ILE A 27 0.845 2.503 -3.569 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.605 1.159 -4.256 1.00 0.00 C ATOM 397 CG2 ILE A 27 1.906 3.283 -4.354 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.734 1.202 -4.991 1.00 0.00 C ATOM 0 H ILE A 27 -0.590 2.988 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 27 1.904 1.348 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.076 3.085 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.412 0.947 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.603 0.356 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.557 3.446 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.081 4.245 -3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.835 2.713 -4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.910 0.245 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.535 1.396 -4.277 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.714 1.996 -5.738 1.00 0.00 H new ATOM 410 N SER A 28 3.477 3.151 -1.487 1.00 0.00 N ATOM 411 CA SER A 28 4.399 4.220 -1.006 1.00 0.00 C ATOM 412 C SER A 28 5.319 4.672 -2.143 1.00 0.00 C ATOM 413 O SER A 28 5.042 4.447 -3.304 1.00 0.00 O ATOM 414 CB SER A 28 5.210 3.568 0.113 1.00 0.00 C ATOM 415 OG SER A 28 6.295 4.417 0.463 1.00 0.00 O ATOM 0 H SER A 28 3.919 2.253 -1.686 1.00 0.00 H new ATOM 0 HA SER A 28 3.864 5.104 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.576 3.392 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.583 2.597 -0.211 1.00 0.00 H new ATOM 0 HG SER A 28 6.816 4.002 1.182 1.00 0.00 H new ATOM 421 N SER A 29 6.411 5.309 -1.819 1.00 0.00 N ATOM 422 CA SER A 29 7.346 5.775 -2.884 1.00 0.00 C ATOM 423 C SER A 29 7.932 4.577 -3.634 1.00 0.00 C ATOM 424 O SER A 29 7.399 4.136 -4.633 1.00 0.00 O ATOM 425 CB SER A 29 8.445 6.532 -2.141 1.00 0.00 C ATOM 426 OG SER A 29 8.502 6.077 -0.795 1.00 0.00 O ATOM 0 H SER A 29 6.697 5.527 -0.864 1.00 0.00 H new ATOM 0 HA SER A 29 6.849 6.401 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.406 6.375 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.246 7.603 -2.167 1.00 0.00 H new ATOM 0 HG SER A 29 9.207 6.560 -0.316 1.00 0.00 H new ATOM 432 N SER A 30 9.028 4.049 -3.163 1.00 0.00 N ATOM 433 CA SER A 30 9.650 2.881 -3.851 1.00 0.00 C ATOM 434 C SER A 30 8.574 1.871 -4.260 1.00 0.00 C ATOM 435 O SER A 30 8.593 1.336 -5.351 1.00 0.00 O ATOM 436 CB SER A 30 10.593 2.268 -2.816 1.00 0.00 C ATOM 437 OG SER A 30 11.406 3.293 -2.258 1.00 0.00 O ATOM 0 H SER A 30 9.520 4.375 -2.331 1.00 0.00 H new ATOM 0 HA SER A 30 10.175 3.171 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.020 1.775 -2.031 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.217 1.506 -3.282 1.00 0.00 H new ATOM 0 HG SER A 30 11.052 3.550 -1.381 1.00 0.00 H new ATOM 443 N GLU A 31 7.635 1.606 -3.393 1.00 0.00 N ATOM 444 CA GLU A 31 6.560 0.630 -3.733 1.00 0.00 C ATOM 445 C GLU A 31 6.071 0.858 -5.166 1.00 0.00 C ATOM 446 O GLU A 31 6.197 0.002 -6.018 1.00 0.00 O ATOM 447 CB GLU A 31 5.440 0.910 -2.732 1.00 0.00 C ATOM 448 CG GLU A 31 5.503 -0.110 -1.594 1.00 0.00 C ATOM 449 CD GLU A 31 4.196 -0.074 -0.800 1.00 0.00 C ATOM 450 OE1 GLU A 31 4.074 0.780 0.064 1.00 0.00 O ATOM 451 OE2 GLU A 31 3.340 -0.900 -1.068 1.00 0.00 O ATOM 0 H GLU A 31 7.565 2.023 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 31 6.907 -0.402 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.538 1.920 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.472 0.856 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.668 -1.109 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.345 0.113 -0.938 1.00 0.00 H new ATOM 458 N LEU A 32 5.516 2.007 -5.439 1.00 0.00 N ATOM 459 CA LEU A 32 5.021 2.286 -6.818 1.00 0.00 C ATOM 460 C LEU A 32 6.171 2.174 -7.823 1.00 0.00 C ATOM 461 O LEU A 32 6.042 1.553 -8.859 1.00 0.00 O ATOM 462 CB LEU A 32 4.491 3.721 -6.766 1.00 0.00 C ATOM 463 CG LEU A 32 3.479 3.935 -7.893 1.00 0.00 C ATOM 464 CD1 LEU A 32 4.050 3.396 -9.206 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.183 3.195 -7.562 1.00 0.00 C ATOM 0 H LEU A 32 5.384 2.764 -4.768 1.00 0.00 H new ATOM 0 HA LEU A 32 4.253 1.580 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.021 3.911 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.315 4.428 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 32 3.275 5.001 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.327 3.550 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.974 3.923 -9.445 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.256 2.331 -9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.462 3.347 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.389 2.130 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.773 3.579 -6.628 1.00 0.00 H new ATOM 477 N ALA A 33 7.291 2.772 -7.526 1.00 0.00 N ATOM 478 CA ALA A 33 8.448 2.701 -8.467 1.00 0.00 C ATOM 479 C ALA A 33 8.969 1.265 -8.557 1.00 0.00 C ATOM 480 O ALA A 33 9.722 0.922 -9.446 1.00 0.00 O ATOM 481 CB ALA A 33 9.508 3.620 -7.860 1.00 0.00 C ATOM 0 H ALA A 33 7.457 3.307 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 33 8.177 3.004 -9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.394 3.623 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.112 4.633 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.775 3.261 -6.866 1.00 0.00 H new ATOM 487 N THR A 34 8.576 0.421 -7.643 1.00 0.00 N ATOM 488 CA THR A 34 9.051 -0.993 -7.680 1.00 0.00 C ATOM 489 C THR A 34 8.708 -1.630 -9.029 1.00 0.00 C ATOM 490 O THR A 34 9.474 -2.399 -9.576 1.00 0.00 O ATOM 491 CB THR A 34 8.297 -1.694 -6.548 1.00 0.00 C ATOM 492 OG1 THR A 34 8.558 -1.025 -5.323 1.00 0.00 O ATOM 493 CG2 THR A 34 8.763 -3.148 -6.449 1.00 0.00 C ATOM 0 H THR A 34 7.947 0.648 -6.873 1.00 0.00 H new ATOM 0 HA THR A 34 10.131 -1.070 -7.558 1.00 0.00 H new ATOM 0 HB THR A 34 7.227 -1.671 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.951 -0.146 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.226 -3.648 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.562 -3.659 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.833 -3.174 -6.243 1.00 0.00 H new ATOM 501 N VAL A 35 7.562 -1.317 -9.570 1.00 0.00 N ATOM 502 CA VAL A 35 7.171 -1.906 -10.882 1.00 0.00 C ATOM 503 C VAL A 35 7.695 -1.037 -12.030 1.00 0.00 C ATOM 504 O VAL A 35 7.409 -1.280 -13.186 1.00 0.00 O ATOM 505 CB VAL A 35 5.642 -1.916 -10.872 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.144 -2.540 -9.567 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.124 -0.479 -10.979 1.00 0.00 C ATOM 0 H VAL A 35 6.880 -0.679 -9.160 1.00 0.00 H new ATOM 0 HA VAL A 35 7.584 -2.904 -11.026 1.00 0.00 H new ATOM 0 HB VAL A 35 5.276 -2.500 -11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.054 -2.547 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.514 -3.562 -9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.509 -1.956 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.034 -0.484 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.490 0.104 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.479 -0.032 -11.908 1.00 0.00 H new ATOM 639 N SER A 44 14.127 7.963 -9.730 1.00 0.00 N ATOM 640 CA SER A 44 14.689 8.276 -8.384 1.00 0.00 C ATOM 641 C SER A 44 13.578 8.749 -7.444 1.00 0.00 C ATOM 642 O SER A 44 12.508 9.123 -7.879 1.00 0.00 O ATOM 643 CB SER A 44 15.698 9.398 -8.626 1.00 0.00 C ATOM 644 OG SER A 44 15.425 10.013 -9.878 1.00 0.00 O ATOM 0 HA SER A 44 15.151 7.406 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.639 10.135 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.712 8.999 -8.617 1.00 0.00 H new ATOM 0 HG SER A 44 15.242 9.322 -10.549 1.00 0.00 H new ATOM 650 N GLU A 45 13.828 8.729 -6.159 1.00 0.00 N ATOM 651 CA GLU A 45 12.795 9.174 -5.174 1.00 0.00 C ATOM 652 C GLU A 45 11.986 10.348 -5.730 1.00 0.00 C ATOM 653 O GLU A 45 10.777 10.386 -5.619 1.00 0.00 O ATOM 654 CB GLU A 45 13.588 9.608 -3.941 1.00 0.00 C ATOM 655 CG GLU A 45 14.652 10.630 -4.349 1.00 0.00 C ATOM 656 CD GLU A 45 14.083 12.042 -4.216 1.00 0.00 C ATOM 657 OE1 GLU A 45 12.886 12.161 -4.014 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.854 12.982 -4.316 1.00 0.00 O ATOM 0 H GLU A 45 14.709 8.422 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 45 12.080 8.383 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.918 10.042 -3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.060 8.742 -3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.535 10.522 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.969 10.450 -5.376 1.00 0.00 H new ATOM 665 N ALA A 46 12.637 11.301 -6.336 1.00 0.00 N ATOM 666 CA ALA A 46 11.892 12.461 -6.902 1.00 0.00 C ATOM 667 C ALA A 46 10.753 11.957 -7.791 1.00 0.00 C ATOM 668 O ALA A 46 9.607 12.324 -7.620 1.00 0.00 O ATOM 669 CB ALA A 46 12.921 13.231 -7.729 1.00 0.00 C ATOM 0 H ALA A 46 13.649 11.328 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 46 11.446 13.089 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.447 14.103 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.737 13.555 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.314 12.585 -8.514 1.00 0.00 H new ATOM 675 N GLU A 47 11.061 11.108 -8.734 1.00 0.00 N ATOM 676 CA GLU A 47 9.997 10.569 -9.630 1.00 0.00 C ATOM 677 C GLU A 47 9.195 9.496 -8.890 1.00 0.00 C ATOM 678 O GLU A 47 8.039 9.258 -9.178 1.00 0.00 O ATOM 679 CB GLU A 47 10.749 9.959 -10.813 1.00 0.00 C ATOM 680 CG GLU A 47 11.678 11.009 -11.424 1.00 0.00 C ATOM 681 CD GLU A 47 11.420 11.106 -12.929 1.00 0.00 C ATOM 682 OE1 GLU A 47 11.781 10.177 -13.633 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.866 12.108 -13.352 1.00 0.00 O ATOM 0 H GLU A 47 12.003 10.764 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 47 9.291 11.335 -9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.326 9.095 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.042 9.603 -11.563 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.510 11.977 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.718 10.741 -11.239 1.00 0.00 H new ATOM 690 N VAL A 48 9.803 8.855 -7.930 1.00 0.00 N ATOM 691 CA VAL A 48 9.084 7.803 -7.156 1.00 0.00 C ATOM 692 C VAL A 48 8.011 8.458 -6.289 1.00 0.00 C ATOM 693 O VAL A 48 6.826 8.283 -6.498 1.00 0.00 O ATOM 694 CB VAL A 48 10.156 7.159 -6.273 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.598 5.894 -5.624 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.376 6.792 -7.119 1.00 0.00 C ATOM 0 H VAL A 48 10.770 9.015 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 48 8.592 7.071 -7.797 1.00 0.00 H new ATOM 0 HB VAL A 48 10.450 7.869 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.364 5.439 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.733 6.150 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.298 5.189 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.135 6.334 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.081 6.088 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.783 7.692 -7.580 1.00 0.00 H new ATOM 706 N ASN A 49 8.428 9.222 -5.321 1.00 0.00 N ATOM 707 CA ASN A 49 7.458 9.912 -4.434 1.00 0.00 C ATOM 708 C ASN A 49 6.454 10.698 -5.284 1.00 0.00 C ATOM 709 O ASN A 49 5.278 10.750 -4.984 1.00 0.00 O ATOM 710 CB ASN A 49 8.331 10.844 -3.586 1.00 0.00 C ATOM 711 CG ASN A 49 7.532 12.077 -3.150 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.573 13.102 -3.800 1.00 0.00 O ATOM 713 ND2 ASN A 49 6.803 12.018 -2.069 1.00 0.00 N ATOM 0 H ASN A 49 9.409 9.399 -5.106 1.00 0.00 H new ATOM 0 HA ASN A 49 6.871 9.234 -3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.697 10.311 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.206 11.154 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.267 12.833 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.769 11.157 -1.523 1.00 0.00 H new ATOM 720 N ASP A 50 6.909 11.305 -6.347 1.00 0.00 N ATOM 721 CA ASP A 50 5.980 12.079 -7.217 1.00 0.00 C ATOM 722 C ASP A 50 4.801 11.194 -7.629 1.00 0.00 C ATOM 723 O ASP A 50 3.653 11.574 -7.503 1.00 0.00 O ATOM 724 CB ASP A 50 6.811 12.471 -8.439 1.00 0.00 C ATOM 725 CG ASP A 50 7.182 13.952 -8.350 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.305 14.776 -8.552 1.00 0.00 O ATOM 727 OD2 ASP A 50 8.337 14.238 -8.081 1.00 0.00 O ATOM 0 H ASP A 50 7.883 11.298 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 50 5.567 12.953 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.713 11.862 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.247 12.281 -9.352 1.00 0.00 H new ATOM 732 N LEU A 51 5.075 10.014 -8.113 1.00 0.00 N ATOM 733 CA LEU A 51 3.970 9.103 -8.523 1.00 0.00 C ATOM 734 C LEU A 51 3.037 8.853 -7.336 1.00 0.00 C ATOM 735 O LEU A 51 1.852 9.114 -7.399 1.00 0.00 O ATOM 736 CB LEU A 51 4.659 7.806 -8.948 1.00 0.00 C ATOM 737 CG LEU A 51 4.588 7.666 -10.469 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.467 6.496 -10.916 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.140 7.402 -10.889 1.00 0.00 C ATOM 0 H LEU A 51 6.016 9.642 -8.242 1.00 0.00 H new ATOM 0 HA LEU A 51 3.364 9.519 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.699 7.810 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.178 6.953 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 51 4.942 8.586 -10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.416 6.396 -12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.499 6.681 -10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.113 5.576 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.088 7.302 -11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.788 6.482 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.511 8.234 -10.571 1.00 0.00 H new ATOM 751 N MET A 52 3.565 8.355 -6.251 1.00 0.00 N ATOM 752 CA MET A 52 2.709 8.096 -5.059 1.00 0.00 C ATOM 753 C MET A 52 1.854 9.330 -4.754 1.00 0.00 C ATOM 754 O MET A 52 0.647 9.250 -4.641 1.00 0.00 O ATOM 755 CB MET A 52 3.690 7.823 -3.917 1.00 0.00 C ATOM 756 CG MET A 52 2.973 7.975 -2.574 1.00 0.00 C ATOM 757 SD MET A 52 3.156 9.675 -1.981 1.00 0.00 S ATOM 758 CE MET A 52 4.936 9.614 -1.660 1.00 0.00 C ATOM 0 H MET A 52 4.550 8.117 -6.139 1.00 0.00 H new ATOM 0 HA MET A 52 2.024 7.262 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.100 6.817 -4.010 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.530 8.516 -3.972 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.917 7.729 -2.684 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.389 7.278 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.179 10.277 -0.830 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.225 8.594 -1.407 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.477 9.934 -2.550 1.00 0.00 H new ATOM 768 N ASN A 53 2.473 10.472 -4.622 1.00 0.00 N ATOM 769 CA ASN A 53 1.699 11.711 -4.326 1.00 0.00 C ATOM 770 C ASN A 53 0.731 12.015 -5.473 1.00 0.00 C ATOM 771 O ASN A 53 -0.452 12.197 -5.267 1.00 0.00 O ATOM 772 CB ASN A 53 2.750 12.815 -4.205 1.00 0.00 C ATOM 773 CG ASN A 53 2.149 14.015 -3.469 1.00 0.00 C ATOM 774 OD1 ASN A 53 1.742 14.978 -4.087 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.076 13.995 -2.167 1.00 0.00 N ATOM 0 H ASN A 53 3.481 10.600 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 53 1.100 11.618 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.622 12.444 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.092 13.116 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.677 14.789 -1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.418 13.185 -1.649 1.00 0.00 H new ATOM 782 N GLU A 54 1.225 12.072 -6.680 1.00 0.00 N ATOM 783 CA GLU A 54 0.332 12.363 -7.838 1.00 0.00 C ATOM 784 C GLU A 54 -0.973 11.572 -7.708 1.00 0.00 C ATOM 785 O GLU A 54 -2.053 12.128 -7.734 1.00 0.00 O ATOM 786 CB GLU A 54 1.117 11.906 -9.068 1.00 0.00 C ATOM 787 CG GLU A 54 1.736 13.123 -9.760 1.00 0.00 C ATOM 788 CD GLU A 54 1.514 13.021 -11.270 1.00 0.00 C ATOM 789 OE1 GLU A 54 2.267 12.308 -11.913 1.00 0.00 O ATOM 790 OE2 GLU A 54 0.595 13.656 -11.757 1.00 0.00 O ATOM 0 H GLU A 54 2.207 11.930 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 54 0.061 13.417 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.898 11.205 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.458 11.378 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.287 14.039 -9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.803 13.175 -9.541 1.00 0.00 H new ATOM 797 N ILE A 55 -0.880 10.278 -7.568 1.00 0.00 N ATOM 798 CA ILE A 55 -2.114 9.452 -7.434 1.00 0.00 C ATOM 799 C ILE A 55 -2.699 9.604 -6.028 1.00 0.00 C ATOM 800 O ILE A 55 -3.813 9.198 -5.762 1.00 0.00 O ATOM 801 CB ILE A 55 -1.654 8.014 -7.669 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.175 7.860 -9.115 1.00 0.00 C ATOM 803 CG2 ILE A 55 -2.821 7.058 -7.416 1.00 0.00 C ATOM 804 CD1 ILE A 55 -0.350 6.579 -9.246 1.00 0.00 C ATOM 0 H ILE A 55 -0.004 9.757 -7.541 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.891 9.752 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.836 7.779 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.030 7.825 -9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.575 8.723 -9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.494 6.032 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.163 7.166 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.639 7.294 -8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.009 6.469 -10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.513 6.632 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.965 5.721 -8.974 1.00 0.00 H new ATOM 816 N ASP A 56 -1.956 10.185 -5.127 1.00 0.00 N ATOM 817 CA ASP A 56 -2.469 10.361 -3.739 1.00 0.00 C ATOM 818 C ASP A 56 -3.640 11.347 -3.726 1.00 0.00 C ATOM 819 O ASP A 56 -3.809 12.139 -4.631 1.00 0.00 O ATOM 820 CB ASP A 56 -1.289 10.924 -2.947 1.00 0.00 C ATOM 821 CG ASP A 56 -1.556 10.765 -1.450 1.00 0.00 C ATOM 822 OD1 ASP A 56 -2.616 10.267 -1.106 1.00 0.00 O ATOM 823 OD2 ASP A 56 -0.697 11.143 -0.670 1.00 0.00 O ATOM 0 H ASP A 56 -1.016 10.545 -5.292 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.836 9.426 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.372 10.403 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.143 11.976 -3.191 1.00 0.00 H new ATOM 828 N VAL A 57 -4.448 11.303 -2.704 1.00 0.00 N ATOM 829 CA VAL A 57 -5.607 12.236 -2.626 1.00 0.00 C ATOM 830 C VAL A 57 -5.571 13.003 -1.302 1.00 0.00 C ATOM 831 O VAL A 57 -5.919 14.166 -1.236 1.00 0.00 O ATOM 832 CB VAL A 57 -6.842 11.337 -2.692 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.010 10.804 -4.115 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.668 10.162 -1.729 1.00 0.00 C ATOM 0 H VAL A 57 -4.356 10.660 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.600 12.977 -3.426 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.724 11.912 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.890 10.163 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.132 11.639 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.127 10.229 -4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.548 9.520 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.785 9.588 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.547 10.539 -0.713 1.00 0.00 H new ATOM 844 N ASP A 58 -5.148 12.359 -0.250 1.00 0.00 N ATOM 845 CA ASP A 58 -5.083 13.049 1.071 1.00 0.00 C ATOM 846 C ASP A 58 -3.648 13.496 1.364 1.00 0.00 C ATOM 847 O ASP A 58 -3.401 14.274 2.264 1.00 0.00 O ATOM 848 CB ASP A 58 -5.536 12.000 2.088 1.00 0.00 C ATOM 849 CG ASP A 58 -4.719 10.720 1.901 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.888 10.696 1.007 1.00 0.00 O ATOM 851 OD2 ASP A 58 -4.937 9.786 2.654 1.00 0.00 O ATOM 0 H ASP A 58 -4.844 11.385 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.706 13.943 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.407 12.381 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.597 11.788 1.959 1.00 0.00 H new ATOM 856 N GLY A 59 -2.700 13.011 0.609 1.00 0.00 N ATOM 857 CA GLY A 59 -1.283 13.407 0.844 1.00 0.00 C ATOM 858 C GLY A 59 -0.742 12.672 2.070 1.00 0.00 C ATOM 859 O GLY A 59 -0.562 13.251 3.123 1.00 0.00 O ATOM 0 H GLY A 59 -2.846 12.358 -0.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.678 13.169 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.216 14.484 0.994 1.00 0.00 H new ATOM 863 N ASN A 60 -0.480 11.399 1.943 1.00 0.00 N ATOM 864 CA ASN A 60 0.049 10.628 3.105 1.00 0.00 C ATOM 865 C ASN A 60 1.303 9.849 2.698 1.00 0.00 C ATOM 866 O ASN A 60 1.587 8.793 3.227 1.00 0.00 O ATOM 867 CB ASN A 60 -1.079 9.668 3.486 1.00 0.00 C ATOM 868 CG ASN A 60 -1.559 8.924 2.239 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.871 9.534 1.235 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.634 7.621 2.258 1.00 0.00 N ATOM 0 H ASN A 60 -0.609 10.860 1.087 1.00 0.00 H new ATOM 0 HA ASN A 60 0.334 11.274 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.729 8.957 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.905 10.220 3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.954 7.116 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.373 7.107 3.100 1.00 0.00 H new ATOM 877 N HIS A 61 2.056 10.362 1.763 1.00 0.00 N ATOM 878 CA HIS A 61 3.294 9.652 1.322 1.00 0.00 C ATOM 879 C HIS A 61 2.937 8.308 0.679 1.00 0.00 C ATOM 880 O HIS A 61 3.796 7.494 0.403 1.00 0.00 O ATOM 881 CB HIS A 61 4.111 9.438 2.596 1.00 0.00 C ATOM 882 CG HIS A 61 4.120 10.702 3.411 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.765 11.930 2.873 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.436 10.947 4.724 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.877 12.848 3.850 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.282 12.302 5.000 1.00 0.00 N ATOM 0 H HIS A 61 1.868 11.243 1.284 1.00 0.00 H new ATOM 0 HA HIS A 61 3.848 10.222 0.576 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.686 8.621 3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.131 9.151 2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.756 10.200 5.436 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.665 13.899 3.720 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.443 12.776 5.889 1.00 0.00 H new ATOM 894 N GLN A 62 1.676 8.070 0.437 1.00 0.00 N ATOM 895 CA GLN A 62 1.265 6.781 -0.190 1.00 0.00 C ATOM 896 C GLN A 62 -0.209 6.836 -0.590 1.00 0.00 C ATOM 897 O GLN A 62 -0.952 7.691 -0.150 1.00 0.00 O ATOM 898 CB GLN A 62 1.489 5.712 0.883 1.00 0.00 C ATOM 899 CG GLN A 62 1.004 6.226 2.241 1.00 0.00 C ATOM 900 CD GLN A 62 2.185 6.292 3.211 1.00 0.00 C ATOM 901 OE1 GLN A 62 3.326 6.346 2.795 1.00 0.00 O ATOM 902 NE2 GLN A 62 1.959 6.290 4.496 1.00 0.00 N ATOM 0 H GLN A 62 0.912 8.713 0.647 1.00 0.00 H new ATOM 0 HA GLN A 62 1.836 6.568 -1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.954 4.800 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.547 5.456 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.555 7.213 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.231 5.567 2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.002 6.245 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.740 6.334 5.151 1.00 0.00 H new ATOM 911 N ILE A 63 -0.638 5.930 -1.425 1.00 0.00 N ATOM 912 CA ILE A 63 -2.061 5.931 -1.856 1.00 0.00 C ATOM 913 C ILE A 63 -2.643 4.518 -1.788 1.00 0.00 C ATOM 914 O ILE A 63 -1.929 3.537 -1.867 1.00 0.00 O ATOM 915 CB ILE A 63 -2.025 6.421 -3.301 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.410 5.340 -4.189 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.185 7.695 -3.394 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.497 4.342 -4.593 1.00 0.00 C ATOM 0 H ILE A 63 -0.063 5.189 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.685 6.558 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.041 6.634 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.966 5.791 -5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.609 4.828 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.162 8.041 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.624 8.467 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.169 7.486 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.063 3.568 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.920 3.884 -3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.283 4.862 -5.141 1.00 0.00 H new ATOM 930 N GLU A 64 -3.936 4.407 -1.650 1.00 0.00 N ATOM 931 CA GLU A 64 -4.569 3.059 -1.588 1.00 0.00 C ATOM 932 C GLU A 64 -5.106 2.682 -2.970 1.00 0.00 C ATOM 933 O GLU A 64 -4.742 3.274 -3.966 1.00 0.00 O ATOM 934 CB GLU A 64 -5.714 3.203 -0.585 1.00 0.00 C ATOM 935 CG GLU A 64 -5.149 3.221 0.837 1.00 0.00 C ATOM 936 CD GLU A 64 -5.926 4.233 1.682 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.069 4.498 1.349 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.365 4.724 2.647 1.00 0.00 O ATOM 0 H GLU A 64 -4.582 5.193 -1.577 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.869 2.279 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.268 4.121 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.416 2.377 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.222 2.228 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.091 3.484 0.816 1.00 0.00 H new ATOM 945 N PHE A 65 -5.969 1.708 -3.046 1.00 0.00 N ATOM 946 CA PHE A 65 -6.513 1.318 -4.377 1.00 0.00 C ATOM 947 C PHE A 65 -7.371 2.447 -4.951 1.00 0.00 C ATOM 948 O PHE A 65 -6.983 3.117 -5.886 1.00 0.00 O ATOM 949 CB PHE A 65 -7.368 0.080 -4.127 1.00 0.00 C ATOM 950 CG PHE A 65 -8.128 -0.230 -5.389 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.427 -0.542 -6.560 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.525 -0.185 -5.398 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.125 -0.814 -7.740 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.223 -0.455 -6.580 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.524 -0.769 -7.749 1.00 0.00 C ATOM 0 H PHE A 65 -6.319 1.170 -2.253 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.717 1.120 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.740 -0.765 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.058 0.255 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.347 -0.572 -6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.064 0.058 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.586 -1.058 -8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.302 -0.421 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.064 -0.977 -8.661 1.00 0.00 H new ATOM 965 N SER A 66 -8.540 2.648 -4.399 1.00 0.00 N ATOM 966 CA SER A 66 -9.448 3.727 -4.899 1.00 0.00 C ATOM 967 C SER A 66 -8.642 4.942 -5.374 1.00 0.00 C ATOM 968 O SER A 66 -8.947 5.539 -6.387 1.00 0.00 O ATOM 969 CB SER A 66 -10.315 4.100 -3.699 1.00 0.00 C ATOM 970 OG SER A 66 -11.557 4.616 -4.158 1.00 0.00 O ATOM 0 H SER A 66 -8.908 2.107 -3.617 1.00 0.00 H new ATOM 0 HA SER A 66 -10.042 3.395 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.482 3.225 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.805 4.842 -3.084 1.00 0.00 H new ATOM 0 HG SER A 66 -12.116 4.855 -3.389 1.00 0.00 H new ATOM 976 N GLU A 67 -7.608 5.307 -4.663 1.00 0.00 N ATOM 977 CA GLU A 67 -6.788 6.472 -5.100 1.00 0.00 C ATOM 978 C GLU A 67 -6.122 6.137 -6.435 1.00 0.00 C ATOM 979 O GLU A 67 -6.136 6.918 -7.368 1.00 0.00 O ATOM 980 CB GLU A 67 -5.743 6.663 -4.000 1.00 0.00 C ATOM 981 CG GLU A 67 -6.426 6.601 -2.633 1.00 0.00 C ATOM 982 CD GLU A 67 -5.549 7.295 -1.590 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.549 7.878 -1.978 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.890 7.232 -0.421 1.00 0.00 O ATOM 0 H GLU A 67 -7.298 4.852 -3.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.376 7.378 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.978 5.890 -4.072 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.240 7.622 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.402 7.083 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.597 5.563 -2.347 1.00 0.00 H new ATOM 991 N PHE A 68 -5.559 4.964 -6.536 1.00 0.00 N ATOM 992 CA PHE A 68 -4.912 4.551 -7.810 1.00 0.00 C ATOM 993 C PHE A 68 -5.931 4.663 -8.947 1.00 0.00 C ATOM 994 O PHE A 68 -5.590 4.939 -10.080 1.00 0.00 O ATOM 995 CB PHE A 68 -4.498 3.095 -7.574 1.00 0.00 C ATOM 996 CG PHE A 68 -4.367 2.364 -8.891 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.595 2.907 -9.924 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.014 1.136 -9.072 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.471 2.222 -11.139 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.891 0.452 -10.287 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.119 0.994 -11.320 1.00 0.00 C ATOM 0 H PHE A 68 -5.520 4.273 -5.787 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.057 5.168 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.550 3.062 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.237 2.597 -6.946 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.095 3.854 -9.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.608 0.716 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.875 2.641 -11.937 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.392 -0.494 -10.427 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.023 0.465 -12.257 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.186 4.464 -8.643 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.239 4.571 -9.692 1.00 0.00 C ATOM 1013 C LEU A 69 -8.517 6.045 -9.993 1.00 0.00 C ATOM 1014 O LEU A 69 -8.740 6.429 -11.124 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.476 3.910 -9.081 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.484 2.420 -9.422 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.759 2.240 -10.916 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.125 1.812 -9.078 1.00 0.00 C ATOM 0 H LEU A 69 -7.527 4.231 -7.710 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.946 4.096 -10.628 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.476 4.046 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.380 4.385 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.263 1.920 -8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.765 1.178 -11.159 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.728 2.674 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.980 2.740 -11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.130 0.749 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.346 2.312 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.928 1.940 -8.014 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.505 6.871 -8.983 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.765 8.322 -9.199 1.00 0.00 C ATOM 1032 C ALA A 70 -7.818 8.874 -10.269 1.00 0.00 C ATOM 1033 O ALA A 70 -8.234 9.544 -11.193 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.488 8.977 -7.846 1.00 0.00 C ATOM 0 H ALA A 70 -8.326 6.603 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.781 8.515 -9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.657 10.051 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.156 8.556 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.453 8.792 -7.557 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.548 8.600 -10.150 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.580 9.113 -11.163 1.00 0.00 C ATOM 1042 C LEU A 71 -5.512 8.163 -12.361 1.00 0.00 C ATOM 1043 O LEU A 71 -5.492 8.588 -13.500 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.234 9.163 -10.440 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.412 10.335 -10.979 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -3.845 11.627 -10.285 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -1.927 10.085 -10.706 1.00 0.00 C ATOM 0 H LEU A 71 -6.139 8.045 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.870 10.090 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.389 9.276 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.694 8.228 -10.587 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.575 10.427 -12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.258 12.461 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.902 11.807 -10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.683 11.535 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.341 10.920 -11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.765 9.992 -9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.616 9.165 -11.201 1.00 0.00 H new ATOM 1059 N MET A 72 -5.474 6.882 -12.118 1.00 0.00 N ATOM 1060 CA MET A 72 -5.406 5.911 -13.247 1.00 0.00 C ATOM 1061 C MET A 72 -6.473 6.241 -14.294 1.00 0.00 C ATOM 1062 O MET A 72 -6.195 6.862 -15.302 1.00 0.00 O ATOM 1063 CB MET A 72 -5.680 4.545 -12.615 1.00 0.00 C ATOM 1064 CG MET A 72 -6.001 3.527 -13.712 1.00 0.00 C ATOM 1065 SD MET A 72 -4.734 3.605 -15.004 1.00 0.00 S ATOM 1066 CE MET A 72 -3.555 2.470 -14.235 1.00 0.00 C ATOM 0 H MET A 72 -5.487 6.465 -11.187 1.00 0.00 H new ATOM 0 HA MET A 72 -4.442 5.938 -13.756 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.812 4.217 -12.043 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.514 4.617 -11.916 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.042 2.523 -13.289 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.983 3.734 -14.138 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.891 2.063 -14.998 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.966 3.006 -13.491 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.096 1.656 -13.752 1.00 0.00 H new