USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 347 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 GLN : amide:sc=-0.00175 X(o=-0.0017,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 23 TYR OH : rot 30:sc= -1.48 USER MOD Single : A 26 CYS SG : rot 65:sc= -7.33! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 31 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 35 ASN : amide:sc= -0.208 K(o=-0.21,f=-4.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 27.795 10.571 7.894 1.00 0.00 N ATOM 2 CA GLN A 1 28.652 11.078 6.830 1.00 0.00 C ATOM 3 C GLN A 1 29.524 9.948 6.340 1.00 0.00 C ATOM 4 O GLN A 1 30.376 9.485 7.088 1.00 0.00 O ATOM 5 CB GLN A 1 29.582 12.213 7.302 1.00 0.00 C ATOM 6 CG GLN A 1 28.969 13.602 7.083 1.00 0.00 C ATOM 7 CD GLN A 1 29.925 14.565 6.355 1.00 0.00 C ATOM 8 OE1 GLN A 1 31.059 14.786 6.769 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.330 15.234 5.352 1.00 0.00 N ATOM 0 H1 GLN A 1 27.186 11.338 8.244 1.00 0.00 H new ATOM 0 H2 GLN A 1 27.203 9.800 7.525 1.00 0.00 H new ATOM 0 H3 GLN A 1 28.384 10.213 8.673 1.00 0.00 H new ATOM 0 HA GLN A 1 28.002 11.473 6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.804 12.080 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.529 12.149 6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 1 28.050 13.502 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 1 28.694 14.029 8.047 1.00 0.00 H new ATOM 0 HE21 GLN A 1 28.382 14.988 5.067 1.00 0.00 H new ATOM 0 HE22 GLN A 1 29.827 15.987 4.876 1.00 0.00 H new ATOM 18 N GLU A 2 29.289 9.544 5.072 1.00 0.00 N ATOM 19 CA GLU A 2 30.170 8.539 4.490 1.00 0.00 C ATOM 20 C GLU A 2 29.889 8.293 3.014 1.00 0.00 C ATOM 21 O GLU A 2 30.818 7.965 2.287 1.00 0.00 O ATOM 22 CB GLU A 2 30.195 7.214 5.301 1.00 0.00 C ATOM 23 CG GLU A 2 31.627 6.722 5.551 1.00 0.00 C ATOM 24 CD GLU A 2 32.540 7.788 6.220 1.00 0.00 C ATOM 25 OE1 GLU A 2 32.507 7.917 7.441 1.00 0.00 O ATOM 26 OE2 GLU A 2 33.280 8.482 5.520 1.00 0.00 O ATOM 0 H GLU A 2 28.538 9.882 4.470 1.00 0.00 H new ATOM 0 HA GLU A 2 31.173 8.961 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.691 7.363 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.637 6.448 4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.593 5.835 6.184 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.070 6.419 4.602 1.00 0.00 H new ATOM 33 N LYS A 3 28.607 8.481 2.626 1.00 0.00 N ATOM 34 CA LYS A 3 28.054 8.336 1.268 1.00 0.00 C ATOM 35 C LYS A 3 28.987 8.795 0.128 1.00 0.00 C ATOM 36 O LYS A 3 28.974 8.226 -0.958 1.00 0.00 O ATOM 37 CB LYS A 3 26.716 9.062 1.212 1.00 0.00 C ATOM 38 CG LYS A 3 26.835 10.547 1.572 1.00 0.00 C ATOM 39 CD LYS A 3 25.474 11.189 1.855 1.00 0.00 C ATOM 40 CE LYS A 3 25.573 12.269 2.932 1.00 0.00 C ATOM 41 NZ LYS A 3 24.284 12.888 3.216 1.00 0.00 N ATOM 0 H LYS A 3 27.890 8.755 3.298 1.00 0.00 H new ATOM 0 HA LYS A 3 27.930 7.268 1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.297 8.967 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.017 8.581 1.896 1.00 0.00 H new ATOM 0 HG2 LYS A 3 27.474 10.656 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 3 27.322 11.079 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 3 25.079 11.625 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 3 24.768 10.421 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 3 25.972 11.831 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 3 26.279 13.035 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 24.402 13.613 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 23.913 13.330 2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 23.616 12.163 3.548 1.00 0.00 H new ATOM 55 N GLU A 4 29.789 9.824 0.455 1.00 0.00 N ATOM 56 CA GLU A 4 30.843 10.339 -0.421 1.00 0.00 C ATOM 57 C GLU A 4 31.726 9.218 -0.976 1.00 0.00 C ATOM 58 O GLU A 4 31.810 9.006 -2.180 1.00 0.00 O ATOM 59 CB GLU A 4 31.714 11.272 0.435 1.00 0.00 C ATOM 60 CG GLU A 4 31.255 12.724 0.313 1.00 0.00 C ATOM 61 CD GLU A 4 31.939 13.453 -0.864 1.00 0.00 C ATOM 62 OE1 GLU A 4 32.290 12.810 -1.855 1.00 0.00 O ATOM 63 OE2 GLU A 4 32.121 14.666 -0.768 1.00 0.00 O ATOM 0 H GLU A 4 29.719 10.322 1.343 1.00 0.00 H new ATOM 0 HA GLU A 4 30.389 10.850 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 31.669 10.960 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.755 11.190 0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 4 30.174 12.752 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 4 31.473 13.252 1.241 1.00 0.00 H new ATOM 70 N ALA A 5 32.378 8.520 -0.035 1.00 0.00 N ATOM 71 CA ALA A 5 33.221 7.408 -0.429 1.00 0.00 C ATOM 72 C ALA A 5 32.382 6.228 -0.899 1.00 0.00 C ATOM 73 O ALA A 5 32.854 5.433 -1.683 1.00 0.00 O ATOM 74 CB ALA A 5 34.094 6.993 0.738 1.00 0.00 C ATOM 0 H ALA A 5 32.335 8.704 0.967 1.00 0.00 H new ATOM 0 HA ALA A 5 33.851 7.727 -1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.727 6.157 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.720 7.832 1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.464 6.691 1.574 1.00 0.00 H new ATOM 80 N ILE A 6 31.119 6.151 -0.423 1.00 0.00 N ATOM 81 CA ILE A 6 30.290 5.005 -0.808 1.00 0.00 C ATOM 82 C ILE A 6 29.981 5.001 -2.327 1.00 0.00 C ATOM 83 O ILE A 6 29.497 4.009 -2.853 1.00 0.00 O ATOM 84 CB ILE A 6 29.013 4.891 0.049 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.328 5.122 1.539 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.330 3.527 -0.104 1.00 0.00 C ATOM 87 CD1 ILE A 6 28.115 4.952 2.464 1.00 0.00 C ATOM 0 H ILE A 6 30.677 6.832 0.194 1.00 0.00 H new ATOM 0 HA ILE A 6 30.876 4.109 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 6 28.333 5.662 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.108 4.426 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.730 6.128 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.436 3.496 0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 6 28.051 3.375 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 6 29.016 2.739 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.417 5.131 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.341 5.666 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.725 3.938 2.370 1.00 0.00 H new ATOM 99 N GLU A 7 30.301 6.134 -2.993 1.00 0.00 N ATOM 100 CA GLU A 7 30.132 6.260 -4.441 1.00 0.00 C ATOM 101 C GLU A 7 31.493 6.194 -5.165 1.00 0.00 C ATOM 102 O GLU A 7 31.560 5.821 -6.328 1.00 0.00 O ATOM 103 CB GLU A 7 29.360 7.550 -4.761 1.00 0.00 C ATOM 104 CG GLU A 7 30.194 8.852 -4.725 1.00 0.00 C ATOM 105 CD GLU A 7 30.314 9.481 -6.127 1.00 0.00 C ATOM 106 OE1 GLU A 7 31.219 9.096 -6.869 1.00 0.00 O ATOM 107 OE2 GLU A 7 29.505 10.345 -6.465 1.00 0.00 O ATOM 0 H GLU A 7 30.677 6.968 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 7 29.546 5.419 -4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.916 7.451 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.538 7.646 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.730 9.565 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.189 8.638 -4.334 1.00 0.00 H new ATOM 114 N ARG A 8 32.551 6.577 -4.422 1.00 0.00 N ATOM 115 CA ARG A 8 33.912 6.631 -4.957 1.00 0.00 C ATOM 116 C ARG A 8 34.593 5.252 -4.889 1.00 0.00 C ATOM 117 O ARG A 8 35.512 4.948 -5.642 1.00 0.00 O ATOM 118 CB ARG A 8 34.688 7.692 -4.154 1.00 0.00 C ATOM 119 CG ARG A 8 35.493 8.646 -5.047 1.00 0.00 C ATOM 120 CD ARG A 8 35.728 10.010 -4.386 1.00 0.00 C ATOM 121 NE ARG A 8 37.151 10.295 -4.228 1.00 0.00 N ATOM 122 CZ ARG A 8 37.895 10.838 -5.215 1.00 0.00 C ATOM 123 NH1 ARG A 8 37.411 10.979 -6.449 1.00 0.00 N ATOM 124 NH2 ARG A 8 39.133 11.248 -4.942 1.00 0.00 N ATOM 0 H ARG A 8 32.480 6.854 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 8 33.894 6.907 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.986 8.270 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.365 7.193 -3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.454 8.191 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.965 8.789 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.265 10.791 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.242 10.030 -3.410 1.00 0.00 H new ATOM 0 HE ARG A 8 37.600 10.076 -3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.461 10.674 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 8 37.990 11.392 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.506 11.150 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.707 11.660 -5.677 1.00 0.00 H new ATOM 138 N LEU A 9 34.063 4.461 -3.943 1.00 0.00 N ATOM 139 CA LEU A 9 34.444 3.087 -3.672 1.00 0.00 C ATOM 140 C LEU A 9 33.621 2.169 -4.589 1.00 0.00 C ATOM 141 O LEU A 9 34.065 1.121 -5.033 1.00 0.00 O ATOM 142 CB LEU A 9 34.112 2.758 -2.221 1.00 0.00 C ATOM 143 CG LEU A 9 34.866 3.583 -1.159 1.00 0.00 C ATOM 144 CD1 LEU A 9 34.045 3.579 0.136 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.287 3.094 -0.924 1.00 0.00 C ATOM 0 H LEU A 9 33.323 4.788 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 9 35.510 2.947 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.042 2.899 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.321 1.702 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 9 34.973 4.603 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.565 4.159 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.067 4.021 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.919 2.554 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.765 3.715 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.264 2.059 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.852 3.157 -1.854 1.00 0.00 H new ATOM 157 N LYS A 10 32.388 2.644 -4.835 1.00 0.00 N ATOM 158 CA LYS A 10 31.500 1.961 -5.768 1.00 0.00 C ATOM 159 C LYS A 10 31.980 2.185 -7.219 1.00 0.00 C ATOM 160 O LYS A 10 31.848 1.319 -8.078 1.00 0.00 O ATOM 161 CB LYS A 10 30.071 2.522 -5.616 1.00 0.00 C ATOM 162 CG LYS A 10 29.091 1.545 -4.969 1.00 0.00 C ATOM 163 CD LYS A 10 27.729 1.531 -5.684 1.00 0.00 C ATOM 164 CE LYS A 10 27.678 0.546 -6.854 1.00 0.00 C ATOM 165 NZ LYS A 10 27.238 1.130 -8.109 1.00 0.00 N ATOM 0 H LYS A 10 31.997 3.483 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 10 31.507 0.893 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.110 3.433 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.694 2.802 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.517 0.542 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.948 1.816 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.950 1.274 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.507 2.533 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 10 28.670 0.116 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.009 -0.274 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 27.231 0.399 -8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.279 1.516 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.888 1.894 -8.383 1.00 0.00 H new ATOM 179 N ALA A 11 32.517 3.403 -7.438 1.00 0.00 N ATOM 180 CA ALA A 11 32.892 3.846 -8.780 1.00 0.00 C ATOM 181 C ALA A 11 34.205 3.206 -9.240 1.00 0.00 C ATOM 182 O ALA A 11 34.469 3.103 -10.433 1.00 0.00 O ATOM 183 CB ALA A 11 33.026 5.370 -8.798 1.00 0.00 C ATOM 0 H ALA A 11 32.696 4.087 -6.703 1.00 0.00 H new ATOM 0 HA ALA A 11 32.108 3.533 -9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.306 5.699 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.074 5.822 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.794 5.676 -8.088 1.00 0.00 H new ATOM 189 N LEU A 12 34.972 2.744 -8.230 1.00 0.00 N ATOM 190 CA LEU A 12 36.144 1.906 -8.457 1.00 0.00 C ATOM 191 C LEU A 12 35.765 0.625 -9.252 1.00 0.00 C ATOM 192 O LEU A 12 36.614 0.029 -9.905 1.00 0.00 O ATOM 193 CB LEU A 12 36.727 1.522 -7.091 1.00 0.00 C ATOM 194 CG LEU A 12 37.770 2.485 -6.481 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.670 2.527 -4.943 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.183 2.041 -6.848 1.00 0.00 C ATOM 0 H LEU A 12 34.790 2.945 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 12 36.878 2.456 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.902 1.424 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.187 0.538 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 12 37.562 3.476 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.418 3.214 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.676 2.867 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.845 1.530 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.906 2.730 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.360 1.037 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.294 2.039 -7.932 1.00 0.00 H new ATOM 208 N GLY A 13 34.465 0.261 -9.163 1.00 0.00 N ATOM 209 CA GLY A 13 33.913 -0.874 -9.909 1.00 0.00 C ATOM 210 C GLY A 13 33.099 -1.832 -9.021 1.00 0.00 C ATOM 211 O GLY A 13 32.490 -2.778 -9.512 1.00 0.00 O ATOM 0 H GLY A 13 33.784 0.744 -8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.277 -0.501 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.728 -1.425 -10.379 1.00 0.00 H new ATOM 215 N PHE A 14 33.133 -1.547 -7.707 1.00 0.00 N ATOM 216 CA PHE A 14 32.521 -2.403 -6.706 1.00 0.00 C ATOM 217 C PHE A 14 31.085 -1.956 -6.432 1.00 0.00 C ATOM 218 O PHE A 14 30.729 -0.819 -6.766 1.00 0.00 O ATOM 219 CB PHE A 14 33.357 -2.250 -5.428 1.00 0.00 C ATOM 220 CG PHE A 14 34.800 -2.618 -5.667 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.216 -3.949 -5.773 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.746 -1.613 -5.815 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.550 -4.263 -6.020 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.061 -1.927 -6.090 1.00 0.00 C ATOM 225 CZ PHE A 14 37.474 -3.245 -6.180 1.00 0.00 C ATOM 0 H PHE A 14 33.586 -0.718 -7.323 1.00 0.00 H new ATOM 0 HA PHE A 14 32.493 -3.438 -7.046 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.296 -1.221 -5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 14 32.944 -2.883 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.493 -4.744 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.451 -0.579 -5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 14 36.862 -5.295 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.778 -1.133 -6.237 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.511 -3.478 -6.374 1.00 0.00 H new ATOM 235 N PRO A 15 30.273 -2.846 -5.812 1.00 0.00 N ATOM 236 CA PRO A 15 28.928 -2.533 -5.320 1.00 0.00 C ATOM 237 C PRO A 15 28.942 -1.882 -3.926 1.00 0.00 C ATOM 238 O PRO A 15 29.806 -2.193 -3.112 1.00 0.00 O ATOM 239 CB PRO A 15 28.258 -3.901 -5.207 1.00 0.00 C ATOM 240 CG PRO A 15 29.406 -4.852 -4.881 1.00 0.00 C ATOM 241 CD PRO A 15 30.617 -4.258 -5.603 1.00 0.00 C ATOM 0 HA PRO A 15 28.426 -1.828 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.499 -3.910 -4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 15 27.761 -4.180 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.576 -4.914 -3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.194 -5.863 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.523 -4.360 -5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 15 30.801 -4.765 -6.550 1.00 0.00 H new ATOM 249 N GLU A 16 27.953 -0.985 -3.686 1.00 0.00 N ATOM 250 CA GLU A 16 27.814 -0.275 -2.402 1.00 0.00 C ATOM 251 C GLU A 16 27.745 -1.227 -1.184 1.00 0.00 C ATOM 252 O GLU A 16 27.981 -0.818 -0.057 1.00 0.00 O ATOM 253 CB GLU A 16 26.626 0.701 -2.416 1.00 0.00 C ATOM 254 CG GLU A 16 26.166 1.194 -1.031 1.00 0.00 C ATOM 255 CD GLU A 16 25.284 2.463 -1.083 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.123 3.058 -2.148 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.766 2.847 -0.034 1.00 0.00 O ATOM 0 H GLU A 16 27.240 -0.740 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 16 28.727 0.309 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.895 1.567 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.784 0.216 -2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.611 0.396 -0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.044 1.398 -0.418 1.00 0.00 H new ATOM 264 N SER A 17 27.411 -2.495 -1.472 1.00 0.00 N ATOM 265 CA SER A 17 27.235 -3.491 -0.423 1.00 0.00 C ATOM 266 C SER A 17 28.570 -3.873 0.238 1.00 0.00 C ATOM 267 O SER A 17 28.653 -3.955 1.461 1.00 0.00 O ATOM 268 CB SER A 17 26.550 -4.716 -1.043 1.00 0.00 C ATOM 269 OG SER A 17 26.396 -5.775 -0.102 1.00 0.00 O ATOM 0 H SER A 17 27.260 -2.845 -2.418 1.00 0.00 H new ATOM 0 HA SER A 17 26.615 -3.075 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.572 -4.428 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.136 -5.068 -1.892 1.00 0.00 H new ATOM 0 HG SER A 17 25.955 -6.536 -0.535 1.00 0.00 H new ATOM 275 N LEU A 18 29.598 -4.089 -0.613 1.00 0.00 N ATOM 276 CA LEU A 18 30.922 -4.398 -0.072 1.00 0.00 C ATOM 277 C LEU A 18 31.667 -3.130 0.354 1.00 0.00 C ATOM 278 O LEU A 18 32.581 -3.180 1.163 1.00 0.00 O ATOM 279 CB LEU A 18 31.741 -5.250 -1.051 1.00 0.00 C ATOM 280 CG LEU A 18 32.238 -4.594 -2.342 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.321 -3.561 -2.089 1.00 0.00 C ATOM 282 CD2 LEU A 18 32.806 -5.678 -3.269 1.00 0.00 C ATOM 0 H LEU A 18 29.535 -4.056 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 18 30.780 -4.996 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.611 -5.630 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.136 -6.113 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 18 31.388 -4.085 -2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.638 -3.127 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.930 -2.775 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.173 -4.038 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.162 -5.218 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.634 -6.184 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.026 -6.402 -3.503 1.00 0.00 H new ATOM 294 N VAL A 19 31.221 -2.017 -0.252 1.00 0.00 N ATOM 295 CA VAL A 19 31.830 -0.711 -0.071 1.00 0.00 C ATOM 296 C VAL A 19 31.629 -0.246 1.370 1.00 0.00 C ATOM 297 O VAL A 19 32.575 0.127 2.050 1.00 0.00 O ATOM 298 CB VAL A 19 31.140 0.254 -1.035 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.408 1.687 -0.667 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.549 0.054 -2.506 1.00 0.00 C ATOM 0 H VAL A 19 30.421 -2.010 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 19 32.901 -0.750 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 19 30.078 0.026 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.902 2.345 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 19 31.036 1.880 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.481 1.876 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.020 0.773 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.624 0.205 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.293 -0.958 -2.820 1.00 0.00 H new ATOM 310 N ILE A 20 30.341 -0.286 1.766 1.00 0.00 N ATOM 311 CA ILE A 20 29.900 0.136 3.085 1.00 0.00 C ATOM 312 C ILE A 20 30.709 -0.536 4.193 1.00 0.00 C ATOM 313 O ILE A 20 31.264 0.114 5.073 1.00 0.00 O ATOM 314 CB ILE A 20 28.375 -0.123 3.209 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.660 1.136 3.676 1.00 0.00 C ATOM 316 CG2 ILE A 20 27.932 -1.326 4.054 1.00 0.00 C ATOM 317 CD1 ILE A 20 28.012 1.537 5.104 1.00 0.00 C ATOM 0 H ILE A 20 29.584 -0.616 1.167 1.00 0.00 H new ATOM 0 HA ILE A 20 30.078 1.204 3.207 1.00 0.00 H new ATOM 0 HB ILE A 20 28.083 -0.398 2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.909 1.957 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.583 0.981 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.844 -1.389 4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.348 -2.241 3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.289 -1.204 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.467 2.442 5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.737 0.732 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.084 1.723 5.176 1.00 0.00 H new ATOM 329 N GLN A 21 30.729 -1.871 4.074 1.00 0.00 N ATOM 330 CA GLN A 21 31.341 -2.694 5.096 1.00 0.00 C ATOM 331 C GLN A 21 32.862 -2.662 4.966 1.00 0.00 C ATOM 332 O GLN A 21 33.557 -2.906 5.936 1.00 0.00 O ATOM 333 CB GLN A 21 30.802 -4.132 4.999 1.00 0.00 C ATOM 334 CG GLN A 21 30.046 -4.549 6.266 1.00 0.00 C ATOM 335 CD GLN A 21 29.600 -6.014 6.203 1.00 0.00 C ATOM 336 OE1 GLN A 21 29.478 -6.620 5.142 1.00 0.00 O ATOM 337 NE2 GLN A 21 29.370 -6.547 7.416 1.00 0.00 N ATOM 0 H GLN A 21 30.332 -2.387 3.289 1.00 0.00 H new ATOM 0 HA GLN A 21 31.084 -2.297 6.078 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.139 -4.213 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.631 -4.819 4.829 1.00 0.00 H new ATOM 0 HG2 GLN A 21 30.685 -4.400 7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 21 29.174 -3.908 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 21 29.493 -5.979 8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.072 -7.519 7.498 1.00 0.00 H new ATOM 346 N ALA A 22 33.332 -2.339 3.742 1.00 0.00 N ATOM 347 CA ALA A 22 34.772 -2.221 3.530 1.00 0.00 C ATOM 348 C ALA A 22 35.316 -0.915 4.105 1.00 0.00 C ATOM 349 O ALA A 22 36.476 -0.856 4.488 1.00 0.00 O ATOM 350 CB ALA A 22 35.139 -2.289 2.045 1.00 0.00 C ATOM 0 H ALA A 22 32.753 -2.163 2.921 1.00 0.00 H new ATOM 0 HA ALA A 22 35.224 -3.066 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.219 -2.197 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 22 34.811 -3.243 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.648 -1.475 1.511 1.00 0.00 H new ATOM 356 N TYR A 23 34.445 0.110 4.145 1.00 0.00 N ATOM 357 CA TYR A 23 34.862 1.413 4.661 1.00 0.00 C ATOM 358 C TYR A 23 34.861 1.366 6.186 1.00 0.00 C ATOM 359 O TYR A 23 35.866 1.618 6.835 1.00 0.00 O ATOM 360 CB TYR A 23 33.893 2.506 4.150 1.00 0.00 C ATOM 361 CG TYR A 23 34.605 3.769 3.770 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.528 3.718 2.748 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.356 4.988 4.390 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.206 4.855 2.339 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.027 6.134 3.987 1.00 0.00 C ATOM 366 CZ TYR A 23 35.940 6.076 2.945 1.00 0.00 C ATOM 367 OH TYR A 23 36.569 7.215 2.472 1.00 0.00 O ATOM 0 H TYR A 23 33.475 0.059 3.834 1.00 0.00 H new ATOM 0 HA TYR A 23 35.867 1.651 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.345 2.127 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.157 2.726 4.923 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.726 2.776 2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.635 5.044 5.192 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.941 4.792 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.838 7.073 4.486 1.00 0.00 H new ATOM 0 HH TYR A 23 36.748 7.116 1.514 1.00 0.00 H new ATOM 377 N PHE A 24 33.666 1.000 6.683 1.00 0.00 N ATOM 378 CA PHE A 24 33.352 0.894 8.099 1.00 0.00 C ATOM 379 C PHE A 24 34.250 -0.147 8.803 1.00 0.00 C ATOM 380 O PHE A 24 34.624 0.039 9.956 1.00 0.00 O ATOM 381 CB PHE A 24 31.866 0.522 8.252 1.00 0.00 C ATOM 382 CG PHE A 24 30.896 1.679 8.137 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.921 2.561 7.059 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.924 1.866 9.117 1.00 0.00 C ATOM 385 CE1 PHE A 24 30.015 3.607 6.967 1.00 0.00 C ATOM 386 CE2 PHE A 24 29.009 2.908 9.027 1.00 0.00 C ATOM 387 CZ PHE A 24 29.055 3.781 7.951 1.00 0.00 C ATOM 0 H PHE A 24 32.875 0.765 6.083 1.00 0.00 H new ATOM 0 HA PHE A 24 33.544 1.855 8.576 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.614 -0.219 7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.725 0.046 9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.659 2.428 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.881 1.191 9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 24 30.058 4.286 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 24 28.262 3.038 9.796 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.346 4.593 7.880 1.00 0.00 H new ATOM 397 N ALA A 25 34.594 -1.224 8.059 1.00 0.00 N ATOM 398 CA ALA A 25 35.535 -2.218 8.585 1.00 0.00 C ATOM 399 C ALA A 25 36.947 -1.629 8.698 1.00 0.00 C ATOM 400 O ALA A 25 37.675 -1.927 9.639 1.00 0.00 O ATOM 401 CB ALA A 25 35.591 -3.458 7.688 1.00 0.00 C ATOM 0 H ALA A 25 34.242 -1.417 7.121 1.00 0.00 H new ATOM 0 HA ALA A 25 35.177 -2.504 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.297 -4.177 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.602 -3.912 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 25 35.914 -3.169 6.688 1.00 0.00 H new ATOM 407 N CYS A 26 37.280 -0.777 7.708 1.00 0.00 N ATOM 408 CA CYS A 26 38.571 -0.086 7.720 1.00 0.00 C ATOM 409 C CYS A 26 38.538 1.195 8.574 1.00 0.00 C ATOM 410 O CYS A 26 39.523 1.923 8.589 1.00 0.00 O ATOM 411 CB CYS A 26 38.997 0.275 6.285 1.00 0.00 C ATOM 412 SG CYS A 26 40.448 -0.664 5.755 1.00 0.00 S ATOM 0 H CYS A 26 36.684 -0.558 6.910 1.00 0.00 H new ATOM 0 HA CYS A 26 39.293 -0.771 8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.170 0.082 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.215 1.342 6.229 1.00 0.00 H new ATOM 0 HG CYS A 26 40.148 -1.927 5.692 1.00 0.00 H new ATOM 418 N GLU A 27 37.385 1.452 9.245 1.00 0.00 N ATOM 419 CA GLU A 27 37.168 2.694 9.994 1.00 0.00 C ATOM 420 C GLU A 27 37.313 3.925 9.080 1.00 0.00 C ATOM 421 O GLU A 27 38.184 4.768 9.258 1.00 0.00 O ATOM 422 CB GLU A 27 38.076 2.748 11.234 1.00 0.00 C ATOM 423 CG GLU A 27 38.108 4.130 11.924 1.00 0.00 C ATOM 424 CD GLU A 27 38.069 4.070 13.451 1.00 0.00 C ATOM 425 OE1 GLU A 27 38.634 3.148 14.032 1.00 0.00 O ATOM 426 OE2 GLU A 27 37.457 4.962 14.043 1.00 0.00 O ATOM 0 H GLU A 27 36.596 0.806 9.276 1.00 0.00 H new ATOM 0 HA GLU A 27 36.142 2.709 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 27 37.738 2.001 11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.090 2.474 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.011 4.657 11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.260 4.718 11.573 1.00 0.00 H new ATOM 433 N LYS A 28 36.377 3.952 8.118 1.00 0.00 N ATOM 434 CA LYS A 28 36.135 5.030 7.166 1.00 0.00 C ATOM 435 C LYS A 28 37.378 5.898 6.844 1.00 0.00 C ATOM 436 O LYS A 28 37.345 7.127 6.861 1.00 0.00 O ATOM 437 CB LYS A 28 34.958 5.886 7.668 1.00 0.00 C ATOM 438 CG LYS A 28 33.748 5.062 8.156 1.00 0.00 C ATOM 439 CD LYS A 28 33.875 4.658 9.627 1.00 0.00 C ATOM 440 CE LYS A 28 33.006 5.460 10.590 1.00 0.00 C ATOM 441 NZ LYS A 28 33.057 4.850 11.915 1.00 0.00 N ATOM 0 H LYS A 28 35.734 3.172 7.982 1.00 0.00 H new ATOM 0 HA LYS A 28 35.884 4.564 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.305 6.521 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.634 6.548 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.836 5.643 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.650 4.166 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.619 3.603 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 34.917 4.762 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 33.355 6.491 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.977 5.489 10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 32.464 5.397 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 32.704 3.873 11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.039 4.845 12.257 1.00 0.00 H new ATOM 455 N ASN A 29 38.477 5.156 6.608 1.00 0.00 N ATOM 456 CA ASN A 29 39.807 5.746 6.600 1.00 0.00 C ATOM 457 C ASN A 29 40.153 6.289 5.219 1.00 0.00 C ATOM 458 O ASN A 29 41.053 7.110 5.082 1.00 0.00 O ATOM 459 CB ASN A 29 40.833 4.684 7.035 1.00 0.00 C ATOM 460 CG ASN A 29 41.484 5.056 8.368 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.016 4.700 9.443 1.00 0.00 O ATOM 462 ND2 ASN A 29 42.590 5.805 8.217 1.00 0.00 N ATOM 0 H ASN A 29 38.459 4.153 6.423 1.00 0.00 H new ATOM 0 HA ASN A 29 39.830 6.582 7.299 1.00 0.00 H new ATOM 0 HB2 ASN A 29 40.341 3.715 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 29 41.601 4.581 6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 29 43.108 6.121 9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 29 42.912 6.057 7.282 1.00 0.00 H new ATOM 469 N GLU A 30 39.373 5.805 4.231 1.00 0.00 N ATOM 470 CA GLU A 30 39.442 6.303 2.863 1.00 0.00 C ATOM 471 C GLU A 30 40.530 5.590 2.075 1.00 0.00 C ATOM 472 O GLU A 30 40.255 4.787 1.188 1.00 0.00 O ATOM 473 CB GLU A 30 39.448 7.843 2.729 1.00 0.00 C ATOM 474 CG GLU A 30 38.738 8.604 3.882 1.00 0.00 C ATOM 475 CD GLU A 30 37.859 9.787 3.442 1.00 0.00 C ATOM 476 OE1 GLU A 30 37.573 9.932 2.256 1.00 0.00 O ATOM 477 OE2 GLU A 30 37.449 10.549 4.318 1.00 0.00 O ATOM 0 H GLU A 30 38.686 5.064 4.368 1.00 0.00 H new ATOM 0 HA GLU A 30 38.494 6.041 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.482 8.184 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.970 8.113 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.119 7.898 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 30 39.496 8.973 4.573 1.00 0.00 H new ATOM 484 N ASN A 31 41.766 5.925 2.474 1.00 0.00 N ATOM 485 CA ASN A 31 42.962 5.325 1.916 1.00 0.00 C ATOM 486 C ASN A 31 43.022 3.826 2.238 1.00 0.00 C ATOM 487 O ASN A 31 43.320 3.018 1.364 1.00 0.00 O ATOM 488 CB ASN A 31 44.182 6.055 2.518 1.00 0.00 C ATOM 489 CG ASN A 31 44.972 6.853 1.473 1.00 0.00 C ATOM 490 OD1 ASN A 31 44.759 6.767 0.267 1.00 0.00 O ATOM 491 ND2 ASN A 31 45.907 7.642 2.026 1.00 0.00 N ATOM 0 H ASN A 31 41.952 6.622 3.195 1.00 0.00 H new ATOM 0 HA ASN A 31 42.957 5.425 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 31 43.844 6.730 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 31 44.842 5.325 2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 31 46.499 8.224 1.433 1.00 0.00 H new ATOM 0 HD22 ASN A 31 46.025 7.660 3.039 1.00 0.00 H new ATOM 498 N LEU A 32 42.722 3.502 3.515 1.00 0.00 N ATOM 499 CA LEU A 32 42.759 2.104 3.953 1.00 0.00 C ATOM 500 C LEU A 32 41.638 1.289 3.274 1.00 0.00 C ATOM 501 O LEU A 32 41.779 0.101 3.007 1.00 0.00 O ATOM 502 CB LEU A 32 42.608 2.038 5.485 1.00 0.00 C ATOM 503 CG LEU A 32 43.468 0.968 6.193 1.00 0.00 C ATOM 504 CD1 LEU A 32 42.941 0.737 7.615 1.00 0.00 C ATOM 505 CD2 LEU A 32 43.633 -0.350 5.421 1.00 0.00 C ATOM 0 H LEU A 32 42.460 4.173 4.237 1.00 0.00 H new ATOM 0 HA LEU A 32 43.717 1.672 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.860 3.014 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.560 1.852 5.722 1.00 0.00 H new ATOM 0 HG LEU A 32 44.480 1.371 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 32 43.551 -0.019 8.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.991 1.669 8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 41.907 0.396 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.252 -1.036 6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.654 -0.799 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.110 -0.152 4.461 1.00 0.00 H new ATOM 517 N ALA A 33 40.529 2.003 3.001 1.00 0.00 N ATOM 518 CA ALA A 33 39.409 1.364 2.332 1.00 0.00 C ATOM 519 C ALA A 33 39.743 0.993 0.890 1.00 0.00 C ATOM 520 O ALA A 33 39.375 -0.079 0.440 1.00 0.00 O ATOM 521 CB ALA A 33 38.212 2.280 2.337 1.00 0.00 C ATOM 0 H ALA A 33 40.397 2.988 3.229 1.00 0.00 H new ATOM 0 HA ALA A 33 39.186 0.448 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.378 1.792 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.932 2.507 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.459 3.205 1.816 1.00 0.00 H new ATOM 527 N ALA A 34 40.486 1.897 0.218 1.00 0.00 N ATOM 528 CA ALA A 34 40.997 1.615 -1.129 1.00 0.00 C ATOM 529 C ALA A 34 42.180 0.616 -1.112 1.00 0.00 C ATOM 530 O ALA A 34 42.826 0.379 -2.128 1.00 0.00 O ATOM 531 CB ALA A 34 41.430 2.933 -1.777 1.00 0.00 C ATOM 0 H ALA A 34 40.740 2.814 0.584 1.00 0.00 H new ATOM 0 HA ALA A 34 40.199 1.149 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 34 41.812 2.738 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.575 3.606 -1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.212 3.395 -1.174 1.00 0.00 H new ATOM 537 N ASN A 35 42.410 0.045 0.084 1.00 0.00 N ATOM 538 CA ASN A 35 43.373 -1.023 0.298 1.00 0.00 C ATOM 539 C ASN A 35 42.636 -2.302 0.744 1.00 0.00 C ATOM 540 O ASN A 35 43.129 -3.405 0.557 1.00 0.00 O ATOM 541 CB ASN A 35 44.358 -0.576 1.396 1.00 0.00 C ATOM 542 CG ASN A 35 45.803 -0.517 0.873 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.151 -1.110 -0.144 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.579 0.338 1.556 1.00 0.00 N ATOM 0 H ASN A 35 41.920 0.324 0.934 1.00 0.00 H new ATOM 0 HA ASN A 35 43.914 -1.234 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.066 0.405 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.303 -1.267 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.528 0.532 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 46.220 0.794 2.395 1.00 0.00 H new ATOM 551 N PHE A 36 41.447 -2.116 1.341 1.00 0.00 N ATOM 552 CA PHE A 36 40.639 -3.278 1.727 1.00 0.00 C ATOM 553 C PHE A 36 39.731 -3.725 0.567 1.00 0.00 C ATOM 554 O PHE A 36 39.200 -4.829 0.554 1.00 0.00 O ATOM 555 CB PHE A 36 39.793 -2.923 2.958 1.00 0.00 C ATOM 556 CG PHE A 36 39.288 -4.159 3.653 1.00 0.00 C ATOM 557 CD1 PHE A 36 40.186 -5.080 4.182 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.926 -4.400 3.773 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.731 -6.224 4.819 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.463 -5.538 4.416 1.00 0.00 C ATOM 561 CZ PHE A 36 38.368 -6.452 4.943 1.00 0.00 C ATOM 0 H PHE A 36 41.038 -1.207 1.559 1.00 0.00 H new ATOM 0 HA PHE A 36 41.305 -4.106 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.389 -2.331 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.949 -2.304 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 36 41.248 -4.902 4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.220 -3.694 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.437 -6.937 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.401 -5.714 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 38.011 -7.338 5.448 1.00 0.00 H new ATOM 571 N LEU A 37 39.597 -2.791 -0.387 1.00 0.00 N ATOM 572 CA LEU A 37 38.809 -2.986 -1.589 1.00 0.00 C ATOM 573 C LEU A 37 39.703 -3.502 -2.721 1.00 0.00 C ATOM 574 O LEU A 37 39.279 -4.335 -3.517 1.00 0.00 O ATOM 575 CB LEU A 37 38.160 -1.631 -1.916 1.00 0.00 C ATOM 576 CG LEU A 37 36.857 -1.420 -1.122 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.713 -0.048 -0.477 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.676 -1.677 -2.042 1.00 0.00 C ATOM 0 H LEU A 37 40.041 -1.874 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 37 38.030 -3.736 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.860 -0.827 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.949 -1.576 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 37 36.888 -2.127 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.765 0.004 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.534 0.114 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.736 0.721 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.747 -1.531 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.712 -0.984 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.720 -2.701 -2.413 1.00 0.00 H new ATOM 590 N LEU A 38 40.936 -2.955 -2.763 1.00 0.00 N ATOM 591 CA LEU A 38 41.829 -3.181 -3.905 1.00 0.00 C ATOM 592 C LEU A 38 43.054 -4.016 -3.505 1.00 0.00 C ATOM 593 O LEU A 38 43.865 -4.384 -4.351 1.00 0.00 O ATOM 594 CB LEU A 38 42.286 -1.839 -4.495 1.00 0.00 C ATOM 595 CG LEU A 38 41.218 -0.739 -4.486 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.723 0.526 -5.171 1.00 0.00 C ATOM 597 CD2 LEU A 38 39.911 -1.172 -5.118 1.00 0.00 C ATOM 0 H LEU A 38 41.326 -2.364 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 38 41.270 -3.737 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.154 -1.489 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.612 -2.001 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 38 41.019 -0.530 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 38 40.944 1.288 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.606 0.895 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 38 41.981 0.301 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.198 -0.348 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.085 -1.454 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.509 -2.026 -4.573 1.00 0.00 H new ATOM 609 N SER A 39 43.150 -4.274 -2.186 1.00 0.00 N ATOM 610 CA SER A 39 44.292 -5.005 -1.641 1.00 0.00 C ATOM 611 C SER A 39 43.830 -5.973 -0.537 1.00 0.00 C ATOM 612 O SER A 39 44.648 -6.439 0.249 1.00 0.00 O ATOM 613 CB SER A 39 45.348 -4.007 -1.116 1.00 0.00 C ATOM 614 OG SER A 39 46.653 -4.308 -1.575 1.00 0.00 O ATOM 0 H SER A 39 42.457 -3.989 -1.494 1.00 0.00 H new ATOM 0 HA SER A 39 44.751 -5.601 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 45.079 -2.999 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 39 45.339 -4.013 -0.026 1.00 0.00 H new ATOM 0 HG SER A 39 47.285 -3.649 -1.219 1.00 0.00 H new ATOM 620 N GLN A 40 42.496 -6.236 -0.534 1.00 0.00 N ATOM 621 CA GLN A 40 41.836 -7.135 0.427 1.00 0.00 C ATOM 622 C GLN A 40 42.690 -8.366 0.719 1.00 0.00 C ATOM 623 O GLN A 40 43.143 -9.053 -0.190 1.00 0.00 O ATOM 624 CB GLN A 40 40.441 -7.550 -0.082 1.00 0.00 C ATOM 625 CG GLN A 40 40.358 -8.769 -1.031 1.00 0.00 C ATOM 626 CD GLN A 40 40.388 -10.142 -0.307 1.00 0.00 C ATOM 627 OE1 GLN A 40 41.254 -10.983 -0.536 1.00 0.00 O ATOM 628 NE2 GLN A 40 39.366 -10.338 0.540 1.00 0.00 N ATOM 0 H GLN A 40 41.851 -5.822 -1.207 1.00 0.00 H new ATOM 0 HA GLN A 40 41.714 -6.586 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.815 -7.757 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.002 -6.694 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.440 -8.699 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.189 -8.724 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 40 38.678 -9.600 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.277 -11.225 1.036 1.00 0.00 H new ATOM 637 N ASN A 41 42.907 -8.580 2.029 1.00 0.00 N ATOM 638 CA ASN A 41 43.759 -9.686 2.436 1.00 0.00 C ATOM 639 C ASN A 41 42.881 -10.758 3.075 1.00 0.00 C ATOM 640 O ASN A 41 41.660 -10.656 3.095 1.00 0.00 O ATOM 641 CB ASN A 41 44.886 -9.169 3.361 1.00 0.00 C ATOM 642 CG ASN A 41 46.237 -9.495 2.709 1.00 0.00 C ATOM 643 OD1 ASN A 41 46.637 -10.652 2.617 1.00 0.00 O ATOM 644 ND2 ASN A 41 46.844 -8.426 2.166 1.00 0.00 N ATOM 0 H ASN A 41 42.518 -8.022 2.789 1.00 0.00 H new ATOM 0 HA ASN A 41 44.261 -10.141 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 41 44.788 -8.094 3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 41 44.816 -9.638 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 41 47.704 -8.545 1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 41 46.445 -7.495 2.290 1.00 0.00 H new ATOM 651 N PHE A 42 43.586 -11.795 3.567 1.00 0.00 N ATOM 652 CA PHE A 42 42.927 -12.950 4.154 1.00 0.00 C ATOM 653 C PHE A 42 43.060 -12.816 5.681 1.00 0.00 C ATOM 654 O PHE A 42 43.329 -11.735 6.198 1.00 0.00 O ATOM 655 CB PHE A 42 43.533 -14.263 3.603 1.00 0.00 C ATOM 656 CG PHE A 42 44.334 -14.103 2.337 1.00 0.00 C ATOM 657 CD1 PHE A 42 43.739 -13.664 1.157 1.00 0.00 C ATOM 658 CD2 PHE A 42 45.694 -14.399 2.339 1.00 0.00 C ATOM 659 CE1 PHE A 42 44.495 -13.512 0.004 1.00 0.00 C ATOM 660 CE2 PHE A 42 46.452 -14.252 1.186 1.00 0.00 C ATOM 661 CZ PHE A 42 45.851 -13.805 0.020 1.00 0.00 C ATOM 0 H PHE A 42 44.605 -11.845 3.564 1.00 0.00 H new ATOM 0 HA PHE A 42 41.870 -12.988 3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 42 44.173 -14.702 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 42 42.725 -14.971 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 42 42.683 -13.441 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 46.164 -14.747 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 42 44.028 -13.166 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 42 47.506 -14.485 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 42 46.439 -13.685 -0.878 1.00 0.00 H new ATOM 671 N ASP A 43 42.870 -13.967 6.364 1.00 0.00 N ATOM 672 CA ASP A 43 43.031 -14.003 7.810 1.00 0.00 C ATOM 673 C ASP A 43 43.114 -15.474 8.255 1.00 0.00 C ATOM 674 O ASP A 43 42.106 -16.159 8.385 1.00 0.00 O ATOM 675 CB ASP A 43 41.843 -13.273 8.482 1.00 0.00 C ATOM 676 CG ASP A 43 42.172 -12.668 9.864 1.00 0.00 C ATOM 677 OD1 ASP A 43 43.305 -12.779 10.331 1.00 0.00 O ATOM 678 OD2 ASP A 43 41.272 -12.073 10.458 1.00 0.00 O ATOM 0 H ASP A 43 42.611 -14.857 5.937 1.00 0.00 H new ATOM 0 HA ASP A 43 43.946 -13.493 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 43 41.500 -12.477 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 43 41.016 -13.974 8.592 1.00 0.00 H new ATOM 683 N ASP A 44 44.373 -15.907 8.467 1.00 0.00 N ATOM 684 CA ASP A 44 44.652 -17.285 8.868 1.00 0.00 C ATOM 685 C ASP A 44 45.271 -17.247 10.271 1.00 0.00 C ATOM 686 O ASP A 44 46.264 -16.564 10.499 1.00 0.00 O ATOM 687 CB ASP A 44 45.627 -17.956 7.880 1.00 0.00 C ATOM 688 CG ASP A 44 45.206 -17.769 6.405 1.00 0.00 C ATOM 689 OD1 ASP A 44 45.586 -16.765 5.804 1.00 0.00 O ATOM 690 OD2 ASP A 44 44.510 -18.635 5.872 1.00 0.00 O ATOM 0 H ASP A 44 45.202 -15.321 8.366 1.00 0.00 H new ATOM 0 HA ASP A 44 43.730 -17.866 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.625 -17.542 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 44 45.688 -19.021 8.104 1.00 0.00 H new ATOM 695 N GLU A 45 44.638 -18.010 11.187 1.00 0.00 N ATOM 696 CA GLU A 45 45.112 -18.075 12.570 1.00 0.00 C ATOM 697 C GLU A 45 46.487 -18.785 12.646 1.00 0.00 C ATOM 698 O GLU A 45 46.531 -20.006 12.531 1.00 0.00 O ATOM 699 CB GLU A 45 44.045 -18.787 13.425 1.00 0.00 C ATOM 700 CG GLU A 45 44.311 -18.728 14.941 1.00 0.00 C ATOM 701 CD GLU A 45 45.114 -19.944 15.452 1.00 0.00 C ATOM 702 OE1 GLU A 45 44.542 -21.030 15.534 1.00 0.00 O ATOM 703 OE2 GLU A 45 46.295 -19.792 15.770 1.00 0.00 O ATOM 704 OXT GLU A 45 47.500 -18.100 12.821 1.00 0.00 O ATOM 0 H GLU A 45 43.813 -18.577 10.992 1.00 0.00 H new ATOM 0 HA GLU A 45 45.260 -17.069 12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 43.073 -18.339 13.220 1.00 0.00 H new ATOM 0 HB3 GLU A 45 43.986 -19.831 13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.856 -17.813 15.175 1.00 0.00 H new ATOM 0 HG3 GLU A 45 43.360 -18.677 15.471 1.00 0.00 H new TER 711 GLU A 45