USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=6 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 Set 1.1: A 35 ASN : amide:sc= -0.0925 K(o=0.048,f=-1.2) USER MOD Set 1.2: A 39 SER OG : rot 163:sc= 0.141 USER MOD Single : A 1 GLN : amide:sc=-0.00378 X(o=-0.0038,f=-0.079) USER MOD Single : A 1 GLN N :NH3+ -150:sc= 0.254 (180deg=0.0384) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -134:sc= -0.352 (180deg=-0.983) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 26 CYS SG : rot 70:sc= -6.88! 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=0.0072) USER MOD Single : A 31 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.8!) USER MOD Single : A 40 GLN : amide:sc= 0.0234 X(o=0.023,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.787 K(o=-0.79,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 28.522 9.997 8.292 1.00 0.00 N ATOM 2 CA GLN A 1 29.113 10.980 7.395 1.00 0.00 C ATOM 3 C GLN A 1 30.280 10.371 6.595 1.00 0.00 C ATOM 4 O GLN A 1 31.438 10.505 6.963 1.00 0.00 O ATOM 5 CB GLN A 1 29.589 12.199 8.214 1.00 0.00 C ATOM 6 CG GLN A 1 29.544 13.517 7.430 1.00 0.00 C ATOM 7 CD GLN A 1 29.943 14.660 8.381 1.00 0.00 C ATOM 8 OE1 GLN A 1 30.944 14.590 9.077 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.041 15.659 8.432 1.00 0.00 N ATOM 0 H1 GLN A 1 27.512 10.210 8.423 1.00 0.00 H new ATOM 0 H2 GLN A 1 28.625 9.047 7.882 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.006 10.032 9.212 1.00 0.00 H new ATOM 0 HA GLN A 1 28.358 11.301 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 1 28.968 12.294 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.609 12.022 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 1 30.224 13.476 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 1 28.544 13.687 7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 1 28.229 15.645 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 1 29.170 16.430 9.087 1.00 0.00 H new ATOM 18 N GLU A 2 29.903 9.684 5.491 1.00 0.00 N ATOM 19 CA GLU A 2 30.920 8.980 4.704 1.00 0.00 C ATOM 20 C GLU A 2 30.381 8.529 3.334 1.00 0.00 C ATOM 21 O GLU A 2 30.924 7.622 2.719 1.00 0.00 O ATOM 22 CB GLU A 2 31.478 7.769 5.490 1.00 0.00 C ATOM 23 CG GLU A 2 30.612 6.488 5.513 1.00 0.00 C ATOM 24 CD GLU A 2 29.120 6.744 5.846 1.00 0.00 C ATOM 25 OE1 GLU A 2 28.825 7.133 6.976 1.00 0.00 O ATOM 26 OE2 GLU A 2 28.270 6.552 4.975 1.00 0.00 O ATOM 0 H GLU A 2 28.947 9.608 5.144 1.00 0.00 H new ATOM 0 HA GLU A 2 31.730 9.686 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.451 7.513 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 2 31.647 8.082 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.678 5.999 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.024 5.796 6.247 1.00 0.00 H new ATOM 33 N LYS A 3 29.281 9.193 2.911 1.00 0.00 N ATOM 34 CA LYS A 3 28.539 8.752 1.726 1.00 0.00 C ATOM 35 C LYS A 3 29.272 9.089 0.423 1.00 0.00 C ATOM 36 O LYS A 3 29.014 8.519 -0.628 1.00 0.00 O ATOM 37 CB LYS A 3 27.103 9.304 1.683 1.00 0.00 C ATOM 38 CG LYS A 3 26.698 10.191 2.869 1.00 0.00 C ATOM 39 CD LYS A 3 25.173 10.330 2.961 1.00 0.00 C ATOM 40 CE LYS A 3 24.602 9.401 4.039 1.00 0.00 C ATOM 41 NZ LYS A 3 23.173 9.167 3.893 1.00 0.00 N ATOM 0 H LYS A 3 28.899 10.021 3.369 1.00 0.00 H new ATOM 0 HA LYS A 3 28.476 7.667 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.981 9.878 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.411 8.464 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 3 27.084 9.764 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 3 27.150 11.177 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 3 24.911 11.363 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 3 24.724 10.094 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 3 25.126 8.446 4.002 1.00 0.00 H new ATOM 0 HE3 LYS A 3 24.795 9.832 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.846 8.533 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 22.665 10.072 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 22.986 8.729 2.969 1.00 0.00 H new ATOM 55 N GLU A 4 30.203 10.052 0.584 1.00 0.00 N ATOM 56 CA GLU A 4 31.017 10.505 -0.528 1.00 0.00 C ATOM 57 C GLU A 4 31.929 9.397 -1.040 1.00 0.00 C ATOM 58 O GLU A 4 32.279 9.345 -2.206 1.00 0.00 O ATOM 59 CB GLU A 4 31.869 11.694 -0.061 1.00 0.00 C ATOM 60 CG GLU A 4 32.006 12.764 -1.162 1.00 0.00 C ATOM 61 CD GLU A 4 31.946 14.191 -0.584 1.00 0.00 C ATOM 62 OE1 GLU A 4 30.996 14.495 0.138 1.00 0.00 O ATOM 63 OE2 GLU A 4 32.841 14.988 -0.866 1.00 0.00 O ATOM 0 H GLU A 4 30.398 10.518 1.470 1.00 0.00 H new ATOM 0 HA GLU A 4 30.358 10.800 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 4 31.417 12.140 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.859 11.341 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 4 32.950 12.625 -1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 4 31.210 12.635 -1.895 1.00 0.00 H new ATOM 70 N ALA A 5 32.266 8.524 -0.074 1.00 0.00 N ATOM 71 CA ALA A 5 33.062 7.367 -0.388 1.00 0.00 C ATOM 72 C ALA A 5 32.182 6.239 -0.909 1.00 0.00 C ATOM 73 O ALA A 5 32.636 5.430 -1.696 1.00 0.00 O ATOM 74 CB ALA A 5 33.795 6.927 0.862 1.00 0.00 C ATOM 0 H ALA A 5 31.997 8.611 0.906 1.00 0.00 H new ATOM 0 HA ALA A 5 33.781 7.620 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.403 6.050 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.438 7.735 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.072 6.679 1.639 1.00 0.00 H new ATOM 80 N ILE A 6 30.908 6.210 -0.459 1.00 0.00 N ATOM 81 CA ILE A 6 30.052 5.084 -0.828 1.00 0.00 C ATOM 82 C ILE A 6 29.825 5.006 -2.361 1.00 0.00 C ATOM 83 O ILE A 6 29.396 3.981 -2.872 1.00 0.00 O ATOM 84 CB ILE A 6 28.723 5.065 -0.046 1.00 0.00 C ATOM 85 CG1 ILE A 6 28.909 5.205 1.480 1.00 0.00 C ATOM 86 CG2 ILE A 6 27.915 3.798 -0.357 1.00 0.00 C ATOM 87 CD1 ILE A 6 29.190 3.915 2.247 1.00 0.00 C ATOM 0 H ILE A 6 30.474 6.920 0.131 1.00 0.00 H new ATOM 0 HA ILE A 6 30.590 4.182 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 6 28.170 5.941 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 6 29.730 5.898 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.010 5.661 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.983 3.813 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.692 3.762 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.495 2.919 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.302 4.139 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.361 3.221 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 6 30.108 3.462 1.873 1.00 0.00 H new ATOM 99 N GLU A 7 30.159 6.134 -3.043 1.00 0.00 N ATOM 100 CA GLU A 7 30.083 6.224 -4.496 1.00 0.00 C ATOM 101 C GLU A 7 31.477 6.193 -5.144 1.00 0.00 C ATOM 102 O GLU A 7 31.617 5.788 -6.283 1.00 0.00 O ATOM 103 CB GLU A 7 29.326 7.497 -4.903 1.00 0.00 C ATOM 104 CG GLU A 7 30.130 8.798 -4.729 1.00 0.00 C ATOM 105 CD GLU A 7 29.313 10.012 -5.197 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.448 10.466 -4.449 1.00 0.00 O ATOM 107 OE2 GLU A 7 29.550 10.495 -6.305 1.00 0.00 O ATOM 0 H GLU A 7 30.483 6.989 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 7 29.539 5.352 -4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.024 7.408 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.413 7.567 -4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.407 8.922 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.057 8.737 -5.299 1.00 0.00 H new ATOM 114 N ARG A 8 32.479 6.659 -4.365 1.00 0.00 N ATOM 115 CA ARG A 8 33.856 6.730 -4.853 1.00 0.00 C ATOM 116 C ARG A 8 34.552 5.359 -4.780 1.00 0.00 C ATOM 117 O ARG A 8 35.520 5.103 -5.475 1.00 0.00 O ATOM 118 CB ARG A 8 34.620 7.778 -4.022 1.00 0.00 C ATOM 119 CG ARG A 8 35.473 8.731 -4.872 1.00 0.00 C ATOM 120 CD ARG A 8 35.681 10.091 -4.184 1.00 0.00 C ATOM 121 NE ARG A 8 37.089 10.338 -3.892 1.00 0.00 N ATOM 122 CZ ARG A 8 37.925 10.909 -4.785 1.00 0.00 C ATOM 123 NH1 ARG A 8 37.544 11.124 -6.041 1.00 0.00 N ATOM 124 NH2 ARG A 8 39.145 11.271 -4.394 1.00 0.00 N ATOM 0 H ARG A 8 32.353 6.986 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 8 33.848 7.025 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 8 33.905 8.362 -3.443 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.265 7.265 -3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.442 8.272 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 8 34.992 8.884 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.297 10.885 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 8 35.106 10.122 -3.258 1.00 0.00 H new ATOM 0 HE ARG A 8 37.455 10.069 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.607 10.856 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG A 8 38.189 11.557 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 8 39.438 11.116 -3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 8 39.786 11.703 -5.059 1.00 0.00 H new ATOM 138 N LEU A 9 33.979 4.518 -3.894 1.00 0.00 N ATOM 139 CA LEU A 9 34.430 3.163 -3.620 1.00 0.00 C ATOM 140 C LEU A 9 33.727 2.188 -4.574 1.00 0.00 C ATOM 141 O LEU A 9 34.242 1.153 -4.963 1.00 0.00 O ATOM 142 CB LEU A 9 34.048 2.791 -2.193 1.00 0.00 C ATOM 143 CG LEU A 9 34.752 3.639 -1.133 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.916 3.588 0.146 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.195 3.201 -0.912 1.00 0.00 C ATOM 0 H LEU A 9 33.165 4.784 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 9 35.510 3.108 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.970 2.897 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.286 1.741 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 9 34.823 4.672 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.398 4.186 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.921 3.986 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.833 2.555 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.654 3.832 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.213 2.162 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.751 3.295 -1.845 1.00 0.00 H new ATOM 157 N LYS A 10 32.497 2.628 -4.902 1.00 0.00 N ATOM 158 CA LYS A 10 31.645 1.940 -5.858 1.00 0.00 C ATOM 159 C LYS A 10 32.102 2.244 -7.301 1.00 0.00 C ATOM 160 O LYS A 10 31.964 1.426 -8.197 1.00 0.00 O ATOM 161 CB LYS A 10 30.207 2.446 -5.642 1.00 0.00 C ATOM 162 CG LYS A 10 29.217 1.358 -5.228 1.00 0.00 C ATOM 163 CD LYS A 10 28.476 0.722 -6.417 1.00 0.00 C ATOM 164 CE LYS A 10 26.950 0.639 -6.257 1.00 0.00 C ATOM 165 NZ LYS A 10 26.417 -0.659 -6.655 1.00 0.00 N ATOM 0 H LYS A 10 32.078 3.469 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 10 31.701 0.861 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.218 3.222 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.855 2.911 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.751 0.579 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.487 1.784 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 10 28.702 1.295 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 10 28.866 -0.284 -6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.686 0.834 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.482 1.420 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.579 -0.521 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.141 -1.184 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 26.150 -1.199 -5.807 1.00 0.00 H new ATOM 179 N ALA A 11 32.641 3.482 -7.449 1.00 0.00 N ATOM 180 CA ALA A 11 33.064 4.004 -8.747 1.00 0.00 C ATOM 181 C ALA A 11 34.379 3.373 -9.213 1.00 0.00 C ATOM 182 O ALA A 11 34.662 3.313 -10.400 1.00 0.00 O ATOM 183 CB ALA A 11 33.240 5.525 -8.674 1.00 0.00 C ATOM 0 H ALA A 11 32.788 4.129 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 11 32.285 3.750 -9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.555 5.902 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.293 5.988 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 11 33.997 5.768 -7.928 1.00 0.00 H new ATOM 189 N LEU A 12 35.130 2.873 -8.206 1.00 0.00 N ATOM 190 CA LEU A 12 36.300 2.034 -8.449 1.00 0.00 C ATOM 191 C LEU A 12 35.929 0.788 -9.301 1.00 0.00 C ATOM 192 O LEU A 12 36.788 0.197 -9.939 1.00 0.00 O ATOM 193 CB LEU A 12 36.832 1.591 -7.079 1.00 0.00 C ATOM 194 CG LEU A 12 37.879 2.505 -6.410 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.611 2.666 -4.902 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.289 1.936 -6.575 1.00 0.00 C ATOM 0 H LEU A 12 34.937 3.043 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 12 37.053 2.594 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.984 1.493 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.269 0.598 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 12 37.801 3.474 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.369 3.316 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.625 3.106 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.649 1.689 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 12 40.008 2.600 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.340 0.950 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.526 1.852 -7.636 1.00 0.00 H new ATOM 208 N GLY A 13 34.615 0.450 -9.275 1.00 0.00 N ATOM 209 CA GLY A 13 34.062 -0.629 -10.099 1.00 0.00 C ATOM 210 C GLY A 13 33.365 -1.719 -9.266 1.00 0.00 C ATOM 211 O GLY A 13 32.918 -2.734 -9.794 1.00 0.00 O ATOM 0 H GLY A 13 33.925 0.917 -8.687 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.349 -0.209 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.864 -1.081 -10.683 1.00 0.00 H new ATOM 215 N PHE A 14 33.314 -1.457 -7.944 1.00 0.00 N ATOM 216 CA PHE A 14 32.799 -2.410 -6.987 1.00 0.00 C ATOM 217 C PHE A 14 31.348 -2.101 -6.643 1.00 0.00 C ATOM 218 O PHE A 14 30.903 -0.951 -6.907 1.00 0.00 O ATOM 219 CB PHE A 14 33.669 -2.295 -5.735 1.00 0.00 C ATOM 220 CG PHE A 14 35.099 -2.673 -6.010 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.511 -4.005 -5.997 1.00 0.00 C ATOM 222 CD2 PHE A 14 36.031 -1.688 -6.293 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.835 -4.340 -6.255 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.345 -2.022 -6.577 1.00 0.00 C ATOM 225 CZ PHE A 14 37.753 -3.346 -6.548 1.00 0.00 C ATOM 0 H PHE A 14 33.630 -0.580 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 14 32.829 -3.419 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.630 -1.273 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.267 -2.939 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.794 -4.784 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.731 -0.651 -6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 14 37.147 -5.374 -6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 14 38.055 -1.246 -6.822 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.782 -3.601 -6.753 1.00 0.00 H new ATOM 235 N PRO A 15 30.611 -3.069 -6.057 1.00 0.00 N ATOM 236 CA PRO A 15 29.246 -2.899 -5.547 1.00 0.00 C ATOM 237 C PRO A 15 29.221 -2.253 -4.146 1.00 0.00 C ATOM 238 O PRO A 15 30.060 -2.586 -3.320 1.00 0.00 O ATOM 239 CB PRO A 15 28.712 -4.328 -5.432 1.00 0.00 C ATOM 240 CG PRO A 15 29.944 -5.189 -5.170 1.00 0.00 C ATOM 241 CD PRO A 15 31.088 -4.460 -5.878 1.00 0.00 C ATOM 0 HA PRO A 15 28.664 -2.249 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.989 -4.415 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO A 15 28.203 -4.634 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 15 30.138 -5.287 -4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.813 -6.197 -5.564 1.00 0.00 H new ATOM 0 HD2 PRO A 15 32.001 -4.490 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 15 31.317 -4.924 -6.837 1.00 0.00 H new ATOM 249 N GLU A 16 28.236 -1.347 -3.905 1.00 0.00 N ATOM 250 CA GLU A 16 28.078 -0.645 -2.616 1.00 0.00 C ATOM 251 C GLU A 16 28.050 -1.605 -1.392 1.00 0.00 C ATOM 252 O GLU A 16 28.243 -1.199 -0.253 1.00 0.00 O ATOM 253 CB GLU A 16 26.800 0.222 -2.625 1.00 0.00 C ATOM 254 CG GLU A 16 26.322 0.753 -1.254 1.00 0.00 C ATOM 255 CD GLU A 16 25.079 1.666 -1.404 1.00 0.00 C ATOM 256 OE1 GLU A 16 24.107 1.229 -2.013 1.00 0.00 O ATOM 257 OE2 GLU A 16 25.087 2.797 -0.910 1.00 0.00 O ATOM 0 H GLU A 16 27.535 -1.088 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 16 28.958 -0.012 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.970 1.075 -3.282 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.993 -0.363 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 26.083 -0.086 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.128 1.309 -0.776 1.00 0.00 H new ATOM 264 N SER A 17 27.778 -2.887 -1.693 1.00 0.00 N ATOM 265 CA SER A 17 27.637 -3.874 -0.636 1.00 0.00 C ATOM 266 C SER A 17 28.973 -4.153 0.080 1.00 0.00 C ATOM 267 O SER A 17 29.018 -4.257 1.296 1.00 0.00 O ATOM 268 CB SER A 17 27.074 -5.169 -1.246 1.00 0.00 C ATOM 269 OG SER A 17 25.998 -5.694 -0.493 1.00 0.00 O ATOM 0 H SER A 17 27.656 -3.247 -2.639 1.00 0.00 H new ATOM 0 HA SER A 17 26.954 -3.481 0.117 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.740 -4.973 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.868 -5.913 -1.309 1.00 0.00 H new ATOM 0 HG SER A 17 25.671 -6.514 -0.918 1.00 0.00 H new ATOM 275 N LEU A 18 30.049 -4.253 -0.743 1.00 0.00 N ATOM 276 CA LEU A 18 31.372 -4.424 -0.151 1.00 0.00 C ATOM 277 C LEU A 18 31.885 -3.099 0.422 1.00 0.00 C ATOM 278 O LEU A 18 32.705 -3.088 1.326 1.00 0.00 O ATOM 279 CB LEU A 18 32.376 -5.066 -1.126 1.00 0.00 C ATOM 280 CG LEU A 18 32.654 -4.379 -2.477 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.035 -2.914 -2.326 1.00 0.00 C ATOM 282 CD2 LEU A 18 33.770 -5.135 -3.216 1.00 0.00 C ATOM 0 H LEU A 18 30.020 -4.219 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 18 31.272 -5.127 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.328 -5.159 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.028 -6.077 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 18 31.729 -4.409 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.219 -2.483 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.222 -2.375 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.937 -2.833 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.967 -4.650 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 18 34.677 -5.127 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.458 -6.165 -3.390 1.00 0.00 H new ATOM 294 N VAL A 19 31.354 -2.011 -0.176 1.00 0.00 N ATOM 295 CA VAL A 19 31.863 -0.665 0.041 1.00 0.00 C ATOM 296 C VAL A 19 31.632 -0.271 1.501 1.00 0.00 C ATOM 297 O VAL A 19 32.521 0.192 2.194 1.00 0.00 O ATOM 298 CB VAL A 19 31.138 0.310 -0.907 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.216 1.735 -0.415 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.603 0.253 -2.374 1.00 0.00 C ATOM 0 H VAL A 19 30.563 -2.054 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 19 32.932 -0.627 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 19 30.104 -0.034 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.693 2.390 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.751 1.806 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.260 2.039 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 19 31.036 0.974 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.665 0.494 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.438 -0.749 -2.769 1.00 0.00 H new ATOM 310 N ILE A 20 30.361 -0.498 1.885 1.00 0.00 N ATOM 311 CA ILE A 20 29.876 -0.225 3.215 1.00 0.00 C ATOM 312 C ILE A 20 30.790 -0.868 4.260 1.00 0.00 C ATOM 313 O ILE A 20 31.306 -0.197 5.132 1.00 0.00 O ATOM 314 CB ILE A 20 28.390 -0.667 3.288 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.528 0.477 3.810 1.00 0.00 C ATOM 316 CG2 ILE A 20 28.098 -1.959 4.073 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.802 0.785 5.278 1.00 0.00 C ATOM 0 H ILE A 20 29.650 -0.880 1.261 1.00 0.00 H new ATOM 0 HA ILE A 20 29.904 0.840 3.444 1.00 0.00 H new ATOM 0 HB ILE A 20 28.131 -0.918 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.713 1.370 3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.476 0.222 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 20 27.027 -2.163 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.635 -2.791 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.425 -1.839 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.164 1.607 5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.591 -0.098 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.848 1.067 5.402 1.00 0.00 H new ATOM 329 N GLN A 21 30.972 -2.192 4.086 1.00 0.00 N ATOM 330 CA GLN A 21 31.692 -2.984 5.073 1.00 0.00 C ATOM 331 C GLN A 21 33.221 -2.972 4.842 1.00 0.00 C ATOM 332 O GLN A 21 33.955 -3.628 5.566 1.00 0.00 O ATOM 333 CB GLN A 21 31.123 -4.416 5.039 1.00 0.00 C ATOM 334 CG GLN A 21 30.912 -5.000 6.443 1.00 0.00 C ATOM 335 CD GLN A 21 30.166 -6.341 6.376 1.00 0.00 C ATOM 336 OE1 GLN A 21 29.875 -6.875 5.314 1.00 0.00 O ATOM 337 NE2 GLN A 21 29.862 -6.832 7.594 1.00 0.00 N ATOM 0 H GLN A 21 30.632 -2.718 3.281 1.00 0.00 H new ATOM 0 HA GLN A 21 31.547 -2.545 6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.173 -4.413 4.504 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.802 -5.060 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 21 31.877 -5.141 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 21 30.346 -4.295 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 21 30.142 -6.324 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 21 29.352 -7.712 7.677 1.00 0.00 H new ATOM 346 N ALA A 22 33.649 -2.205 3.811 1.00 0.00 N ATOM 347 CA ALA A 22 35.066 -2.024 3.502 1.00 0.00 C ATOM 348 C ALA A 22 35.561 -0.622 3.872 1.00 0.00 C ATOM 349 O ALA A 22 36.758 -0.398 3.913 1.00 0.00 O ATOM 350 CB ALA A 22 35.344 -2.228 2.011 1.00 0.00 C ATOM 0 H ALA A 22 33.020 -1.704 3.183 1.00 0.00 H new ATOM 0 HA ALA A 22 35.594 -2.771 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.407 -2.086 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 35.054 -3.238 1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.769 -1.505 1.432 1.00 0.00 H new ATOM 356 N TYR A 23 34.591 0.289 4.131 1.00 0.00 N ATOM 357 CA TYR A 23 34.935 1.621 4.629 1.00 0.00 C ATOM 358 C TYR A 23 34.798 1.612 6.149 1.00 0.00 C ATOM 359 O TYR A 23 35.684 2.040 6.866 1.00 0.00 O ATOM 360 CB TYR A 23 34.016 2.695 4.004 1.00 0.00 C ATOM 361 CG TYR A 23 34.768 3.926 3.566 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.702 3.792 2.558 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.537 5.184 4.109 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.398 4.897 2.079 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.243 6.292 3.657 1.00 0.00 C ATOM 366 CZ TYR A 23 36.175 6.150 2.632 1.00 0.00 C ATOM 367 OH TYR A 23 36.884 7.222 2.129 1.00 0.00 O ATOM 0 H TYR A 23 33.593 0.122 4.004 1.00 0.00 H new ATOM 0 HA TYR A 23 35.959 1.868 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.497 2.268 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.253 2.980 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.895 2.817 2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.801 5.302 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 23 37.112 4.780 1.277 1.00 0.00 H new ATOM 0 HE2 TYR A 23 35.069 7.262 4.100 1.00 0.00 H new ATOM 0 HH TYR A 23 36.628 8.038 2.608 1.00 0.00 H new ATOM 377 N PHE A 24 33.628 1.071 6.558 1.00 0.00 N ATOM 378 CA PHE A 24 33.201 0.999 7.949 1.00 0.00 C ATOM 379 C PHE A 24 34.109 0.051 8.756 1.00 0.00 C ATOM 380 O PHE A 24 34.438 0.327 9.900 1.00 0.00 O ATOM 381 CB PHE A 24 31.736 0.510 8.045 1.00 0.00 C ATOM 382 CG PHE A 24 30.682 1.541 7.688 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.785 2.363 6.566 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.563 1.689 8.505 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.817 3.315 6.285 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.588 2.641 8.226 1.00 0.00 C ATOM 387 CZ PHE A 24 28.718 3.463 7.116 1.00 0.00 C ATOM 0 H PHE A 24 32.952 0.669 5.909 1.00 0.00 H new ATOM 0 HA PHE A 24 33.274 2.002 8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.614 -0.352 7.388 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.552 0.164 9.062 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.633 2.256 5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.451 1.053 9.371 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.920 3.945 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.729 2.740 8.874 1.00 0.00 H new ATOM 0 HZ PHE A 24 27.970 4.211 6.902 1.00 0.00 H new ATOM 397 N ALA A 25 34.499 -1.067 8.090 1.00 0.00 N ATOM 398 CA ALA A 25 35.422 -2.006 8.729 1.00 0.00 C ATOM 399 C ALA A 25 36.844 -1.428 8.803 1.00 0.00 C ATOM 400 O ALA A 25 37.622 -1.798 9.670 1.00 0.00 O ATOM 401 CB ALA A 25 35.463 -3.333 7.971 1.00 0.00 C ATOM 0 H ALA A 25 34.197 -1.323 7.150 1.00 0.00 H new ATOM 0 HA ALA A 25 35.054 -2.177 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.156 -4.013 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.467 -3.776 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 25 35.795 -3.157 6.948 1.00 0.00 H new ATOM 407 N CYS A 26 37.118 -0.498 7.860 1.00 0.00 N ATOM 408 CA CYS A 26 38.403 0.195 7.844 1.00 0.00 C ATOM 409 C CYS A 26 38.393 1.488 8.681 1.00 0.00 C ATOM 410 O CYS A 26 39.392 2.189 8.711 1.00 0.00 O ATOM 411 CB CYS A 26 38.784 0.526 6.394 1.00 0.00 C ATOM 412 SG CYS A 26 40.217 -0.437 5.866 1.00 0.00 S ATOM 0 H CYS A 26 36.474 -0.222 7.119 1.00 0.00 H new ATOM 0 HA CYS A 26 39.138 -0.473 8.293 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.940 0.319 5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.004 1.590 6.306 1.00 0.00 H new ATOM 0 HG CYS A 26 39.879 -1.686 5.744 1.00 0.00 H new ATOM 418 N GLU A 27 37.232 1.767 9.331 1.00 0.00 N ATOM 419 CA GLU A 27 37.014 3.004 10.089 1.00 0.00 C ATOM 420 C GLU A 27 36.972 4.225 9.149 1.00 0.00 C ATOM 421 O GLU A 27 37.875 5.051 9.148 1.00 0.00 O ATOM 422 CB GLU A 27 38.065 3.178 11.208 1.00 0.00 C ATOM 423 CG GLU A 27 38.015 4.543 11.938 1.00 0.00 C ATOM 424 CD GLU A 27 37.741 4.401 13.436 1.00 0.00 C ATOM 425 OE1 GLU A 27 36.571 4.305 13.805 1.00 0.00 O ATOM 426 OE2 GLU A 27 38.692 4.401 14.217 1.00 0.00 O ATOM 0 H GLU A 27 36.431 1.136 9.337 1.00 0.00 H new ATOM 0 HA GLU A 27 36.042 2.929 10.577 1.00 0.00 H new ATOM 0 HB2 GLU A 27 37.929 2.384 11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.058 3.048 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 38.962 5.063 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.240 5.163 11.488 1.00 0.00 H new ATOM 433 N LYS A 28 35.865 4.278 8.373 1.00 0.00 N ATOM 434 CA LYS A 28 35.553 5.355 7.431 1.00 0.00 C ATOM 435 C LYS A 28 36.803 5.921 6.699 1.00 0.00 C ATOM 436 O LYS A 28 36.885 7.108 6.398 1.00 0.00 O ATOM 437 CB LYS A 28 34.740 6.446 8.161 1.00 0.00 C ATOM 438 CG LYS A 28 33.227 6.222 8.081 1.00 0.00 C ATOM 439 CD LYS A 28 32.742 4.922 8.728 1.00 0.00 C ATOM 440 CE LYS A 28 31.236 4.929 9.036 1.00 0.00 C ATOM 441 NZ LYS A 28 30.893 5.190 10.423 1.00 0.00 N ATOM 0 H LYS A 28 35.151 3.549 8.392 1.00 0.00 H new ATOM 0 HA LYS A 28 34.944 4.939 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.042 6.476 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 28 34.981 7.419 7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.723 7.061 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.927 6.225 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.968 4.087 8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.295 4.754 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.756 5.682 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 28 30.818 3.964 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 29.859 5.175 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 31.317 4.459 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 31.257 6.124 10.701 1.00 0.00 H new ATOM 455 N ASN A 29 37.776 5.014 6.464 1.00 0.00 N ATOM 456 CA ASN A 29 39.088 5.441 5.981 1.00 0.00 C ATOM 457 C ASN A 29 39.075 5.382 4.474 1.00 0.00 C ATOM 458 O ASN A 29 38.361 4.575 3.913 1.00 0.00 O ATOM 459 CB ASN A 29 40.170 4.464 6.480 1.00 0.00 C ATOM 460 CG ASN A 29 41.080 5.168 7.482 1.00 0.00 C ATOM 461 OD1 ASN A 29 40.913 5.083 8.688 1.00 0.00 O ATOM 462 ND2 ASN A 29 42.027 5.902 6.866 1.00 0.00 N ATOM 0 H ASN A 29 37.674 4.008 6.600 1.00 0.00 H new ATOM 0 HA ASN A 29 39.301 6.448 6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.703 3.597 6.946 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.757 4.096 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 29 42.685 6.452 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 29 42.086 5.908 5.848 1.00 0.00 H new ATOM 469 N GLU A 30 39.891 6.259 3.862 1.00 0.00 N ATOM 470 CA GLU A 30 39.887 6.405 2.411 1.00 0.00 C ATOM 471 C GLU A 30 40.993 5.560 1.781 1.00 0.00 C ATOM 472 O GLU A 30 40.765 4.781 0.870 1.00 0.00 O ATOM 473 CB GLU A 30 39.971 7.889 2.001 1.00 0.00 C ATOM 474 CG GLU A 30 39.685 8.879 3.152 1.00 0.00 C ATOM 475 CD GLU A 30 39.459 10.301 2.601 1.00 0.00 C ATOM 476 OE1 GLU A 30 40.393 10.864 2.027 1.00 0.00 O ATOM 477 OE2 GLU A 30 38.356 10.829 2.742 1.00 0.00 O ATOM 0 H GLU A 30 40.550 6.866 4.349 1.00 0.00 H new ATOM 0 HA GLU A 30 38.939 6.030 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.966 8.089 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 30 39.262 8.072 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.805 8.554 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 30 40.521 8.883 3.852 1.00 0.00 H new ATOM 484 N ASN A 31 42.199 5.777 2.350 1.00 0.00 N ATOM 485 CA ASN A 31 43.394 5.093 1.878 1.00 0.00 C ATOM 486 C ASN A 31 43.322 3.591 2.204 1.00 0.00 C ATOM 487 O ASN A 31 43.567 2.750 1.353 1.00 0.00 O ATOM 488 CB ASN A 31 44.634 5.741 2.538 1.00 0.00 C ATOM 489 CG ASN A 31 45.592 6.390 1.521 1.00 0.00 C ATOM 490 OD1 ASN A 31 45.274 6.616 0.362 1.00 0.00 O ATOM 491 ND2 ASN A 31 46.790 6.687 2.061 1.00 0.00 N ATOM 0 H ASN A 31 42.357 6.417 3.129 1.00 0.00 H new ATOM 0 HA ASN A 31 43.468 5.191 0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.305 6.497 3.251 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.175 4.982 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 31 47.509 7.133 1.492 1.00 0.00 H new ATOM 0 HD22 ASN A 31 46.978 6.465 3.039 1.00 0.00 H new ATOM 498 N LEU A 32 42.964 3.330 3.485 1.00 0.00 N ATOM 499 CA LEU A 32 42.874 1.956 3.975 1.00 0.00 C ATOM 500 C LEU A 32 41.732 1.204 3.266 1.00 0.00 C ATOM 501 O LEU A 32 41.827 0.022 2.985 1.00 0.00 O ATOM 502 CB LEU A 32 42.644 1.958 5.499 1.00 0.00 C ATOM 503 CG LEU A 32 43.468 0.911 6.278 1.00 0.00 C ATOM 504 CD1 LEU A 32 43.137 0.993 7.770 1.00 0.00 C ATOM 505 CD2 LEU A 32 43.337 -0.538 5.770 1.00 0.00 C ATOM 0 H LEU A 32 42.739 4.045 4.176 1.00 0.00 H new ATOM 0 HA LEU A 32 43.811 1.444 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.881 2.949 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.586 1.785 5.693 1.00 0.00 H new ATOM 0 HG LEU A 32 44.512 1.171 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 32 43.722 0.251 8.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.378 1.989 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 32 42.075 0.797 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.954 -1.196 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.296 -0.853 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.669 -0.591 4.733 1.00 0.00 H new ATOM 517 N ALA A 33 40.658 1.972 2.984 1.00 0.00 N ATOM 518 CA ALA A 33 39.522 1.382 2.290 1.00 0.00 C ATOM 519 C ALA A 33 39.856 0.971 0.859 1.00 0.00 C ATOM 520 O ALA A 33 39.446 -0.086 0.416 1.00 0.00 O ATOM 521 CB ALA A 33 38.395 2.377 2.232 1.00 0.00 C ATOM 0 H ALA A 33 40.564 2.960 3.219 1.00 0.00 H new ATOM 0 HA ALA A 33 39.242 0.489 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.545 1.934 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.099 2.651 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.723 3.268 1.697 1.00 0.00 H new ATOM 527 N ALA A 34 40.643 1.842 0.189 1.00 0.00 N ATOM 528 CA ALA A 34 41.134 1.532 -1.154 1.00 0.00 C ATOM 529 C ALA A 34 42.250 0.465 -1.124 1.00 0.00 C ATOM 530 O ALA A 34 42.893 0.193 -2.126 1.00 0.00 O ATOM 531 CB ALA A 34 41.658 2.811 -1.810 1.00 0.00 C ATOM 0 H ALA A 34 40.942 2.746 0.555 1.00 0.00 H new ATOM 0 HA ALA A 34 40.304 1.126 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 34 42.024 2.583 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.852 3.542 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.471 3.221 -1.211 1.00 0.00 H new ATOM 537 N ASN A 35 42.421 -0.116 0.083 1.00 0.00 N ATOM 538 CA ASN A 35 43.298 -1.246 0.314 1.00 0.00 C ATOM 539 C ASN A 35 42.456 -2.485 0.707 1.00 0.00 C ATOM 540 O ASN A 35 42.805 -3.610 0.403 1.00 0.00 O ATOM 541 CB ASN A 35 44.300 -0.850 1.421 1.00 0.00 C ATOM 542 CG ASN A 35 45.757 -0.994 0.943 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.063 -0.913 -0.240 1.00 0.00 O ATOM 544 ND2 ASN A 35 46.601 -1.346 1.926 1.00 0.00 N ATOM 0 H ASN A 35 41.940 0.203 0.924 1.00 0.00 H new ATOM 0 HA ASN A 35 43.853 -1.508 -0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.117 0.180 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.140 -1.477 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 35 47.572 -1.568 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 35 46.271 -1.391 2.890 1.00 0.00 H new ATOM 551 N PHE A 36 41.317 -2.219 1.383 1.00 0.00 N ATOM 552 CA PHE A 36 40.403 -3.309 1.737 1.00 0.00 C ATOM 553 C PHE A 36 39.446 -3.646 0.570 1.00 0.00 C ATOM 554 O PHE A 36 38.713 -4.622 0.596 1.00 0.00 O ATOM 555 CB PHE A 36 39.604 -2.903 2.980 1.00 0.00 C ATOM 556 CG PHE A 36 39.042 -4.105 3.693 1.00 0.00 C ATOM 557 CD1 PHE A 36 39.824 -4.794 4.611 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.748 -4.547 3.445 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.321 -5.904 5.274 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.238 -5.654 4.105 1.00 0.00 C ATOM 561 CZ PHE A 36 38.025 -6.333 5.024 1.00 0.00 C ATOM 0 H PHE A 36 41.021 -1.290 1.683 1.00 0.00 H new ATOM 0 HA PHE A 36 40.988 -4.204 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.246 -2.343 3.660 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.791 -2.238 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 36 40.832 -4.463 4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.133 -4.022 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 36 39.938 -6.434 5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.230 -5.987 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.630 -7.193 5.544 1.00 0.00 H new ATOM 571 N LEU A 37 39.506 -2.767 -0.444 1.00 0.00 N ATOM 572 CA LEU A 37 38.700 -2.905 -1.640 1.00 0.00 C ATOM 573 C LEU A 37 39.544 -3.455 -2.793 1.00 0.00 C ATOM 574 O LEU A 37 39.051 -4.199 -3.629 1.00 0.00 O ATOM 575 CB LEU A 37 38.132 -1.518 -1.952 1.00 0.00 C ATOM 576 CG LEU A 37 36.833 -1.265 -1.169 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.739 0.102 -0.505 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.659 -1.481 -2.108 1.00 0.00 C ATOM 0 H LEU A 37 40.115 -1.949 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 37 37.886 -3.615 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.868 -0.755 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.939 -1.432 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 37 36.821 -1.973 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.789 0.186 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.559 0.219 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.802 0.881 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.727 -1.306 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.731 -0.787 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.676 -2.505 -2.482 1.00 0.00 H new ATOM 590 N LEU A 38 40.828 -3.025 -2.788 1.00 0.00 N ATOM 591 CA LEU A 38 41.697 -3.278 -3.936 1.00 0.00 C ATOM 592 C LEU A 38 42.835 -4.253 -3.607 1.00 0.00 C ATOM 593 O LEU A 38 43.551 -4.682 -4.500 1.00 0.00 O ATOM 594 CB LEU A 38 42.265 -1.955 -4.471 1.00 0.00 C ATOM 595 CG LEU A 38 41.268 -0.786 -4.453 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.908 0.463 -5.064 1.00 0.00 C ATOM 597 CD2 LEU A 38 39.960 -1.116 -5.163 1.00 0.00 C ATOM 0 H LEU A 38 41.265 -2.516 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 38 41.086 -3.749 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.138 -1.682 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.609 -2.108 -5.494 1.00 0.00 H new ATOM 0 HG LEU A 38 41.019 -0.594 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.192 1.285 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.791 0.738 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.197 0.257 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.294 -0.254 -5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 38 40.164 -1.364 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.485 -1.966 -4.674 1.00 0.00 H new ATOM 609 N SER A 39 42.956 -4.574 -2.295 1.00 0.00 N ATOM 610 CA SER A 39 43.997 -5.500 -1.843 1.00 0.00 C ATOM 611 C SER A 39 43.392 -6.710 -1.093 1.00 0.00 C ATOM 612 O SER A 39 44.095 -7.662 -0.784 1.00 0.00 O ATOM 613 CB SER A 39 45.047 -4.773 -0.977 1.00 0.00 C ATOM 614 OG SER A 39 45.235 -3.441 -1.431 1.00 0.00 O ATOM 0 H SER A 39 42.356 -4.210 -1.555 1.00 0.00 H new ATOM 0 HA SER A 39 44.503 -5.885 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 39 44.725 -4.766 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 39 45.993 -5.312 -1.014 1.00 0.00 H new ATOM 0 HG SER A 39 45.677 -2.916 -0.731 1.00 0.00 H new ATOM 620 N GLN A 40 42.060 -6.621 -0.840 1.00 0.00 N ATOM 621 CA GLN A 40 41.323 -7.720 -0.211 1.00 0.00 C ATOM 622 C GLN A 40 41.046 -8.869 -1.200 1.00 0.00 C ATOM 623 O GLN A 40 40.884 -10.004 -0.777 1.00 0.00 O ATOM 624 CB GLN A 40 40.011 -7.189 0.380 1.00 0.00 C ATOM 625 CG GLN A 40 39.141 -8.248 1.104 1.00 0.00 C ATOM 626 CD GLN A 40 37.784 -8.457 0.413 1.00 0.00 C ATOM 627 OE1 GLN A 40 37.443 -9.547 -0.023 1.00 0.00 O ATOM 628 NE2 GLN A 40 37.037 -7.335 0.356 1.00 0.00 N ATOM 0 H GLN A 40 41.491 -5.805 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 40 41.943 -8.128 0.587 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.244 -6.390 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.422 -6.745 -0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.679 -9.195 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.977 -7.937 2.136 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.396 -6.463 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.113 -7.359 -0.076 1.00 0.00 H new ATOM 637 N ASN A 41 41.014 -8.522 -2.517 1.00 0.00 N ATOM 638 CA ASN A 41 40.744 -9.505 -3.582 1.00 0.00 C ATOM 639 C ASN A 41 41.576 -10.796 -3.385 1.00 0.00 C ATOM 640 O ASN A 41 41.104 -11.787 -2.840 1.00 0.00 O ATOM 641 CB ASN A 41 40.989 -8.859 -4.971 1.00 0.00 C ATOM 642 CG ASN A 41 40.773 -9.830 -6.168 1.00 0.00 C ATOM 643 OD1 ASN A 41 41.230 -10.964 -6.186 1.00 0.00 O ATOM 644 ND2 ASN A 41 40.061 -9.309 -7.180 1.00 0.00 N ATOM 0 H ASN A 41 41.172 -7.573 -2.856 1.00 0.00 H new ATOM 0 HA ASN A 41 39.697 -9.802 -3.527 1.00 0.00 H new ATOM 0 HB2 ASN A 41 40.323 -8.004 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 41 42.009 -8.475 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 41 39.879 -9.866 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 41 39.702 -8.356 -7.114 1.00 0.00 H new ATOM 651 N PHE A 42 42.831 -10.703 -3.879 1.00 0.00 N ATOM 652 CA PHE A 42 43.742 -11.832 -3.785 1.00 0.00 C ATOM 653 C PHE A 42 44.555 -11.666 -2.495 1.00 0.00 C ATOM 654 O PHE A 42 44.886 -10.563 -2.078 1.00 0.00 O ATOM 655 CB PHE A 42 44.644 -11.866 -5.041 1.00 0.00 C ATOM 656 CG PHE A 42 44.516 -13.157 -5.812 1.00 0.00 C ATOM 657 CD1 PHE A 42 44.742 -14.379 -5.187 1.00 0.00 C ATOM 658 CD2 PHE A 42 44.175 -13.146 -7.162 1.00 0.00 C ATOM 659 CE1 PHE A 42 44.625 -15.568 -5.891 1.00 0.00 C ATOM 660 CE2 PHE A 42 44.062 -14.335 -7.871 1.00 0.00 C ATOM 661 CZ PHE A 42 44.286 -15.548 -7.236 1.00 0.00 C ATOM 0 H PHE A 42 43.215 -9.874 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 42 43.207 -12.781 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 42 44.386 -11.031 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 42 45.683 -11.727 -4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 42 45.012 -14.402 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 42 43.997 -12.205 -7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 42 44.798 -16.510 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 42 43.799 -14.315 -8.918 1.00 0.00 H new ATOM 0 HZ PHE A 42 44.197 -16.473 -7.787 1.00 0.00 H new ATOM 671 N ASP A 43 44.843 -12.844 -1.899 1.00 0.00 N ATOM 672 CA ASP A 43 45.638 -12.903 -0.678 1.00 0.00 C ATOM 673 C ASP A 43 47.044 -12.338 -0.945 1.00 0.00 C ATOM 674 O ASP A 43 47.664 -12.625 -1.958 1.00 0.00 O ATOM 675 CB ASP A 43 45.738 -14.376 -0.220 1.00 0.00 C ATOM 676 CG ASP A 43 44.975 -14.600 1.098 1.00 0.00 C ATOM 677 OD1 ASP A 43 45.524 -14.290 2.155 1.00 0.00 O ATOM 678 OD2 ASP A 43 43.842 -15.081 1.054 1.00 0.00 O ATOM 0 H ASP A 43 44.535 -13.752 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 43 45.165 -12.307 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 43 45.333 -15.029 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 43 46.785 -14.649 -0.088 1.00 0.00 H new ATOM 683 N ASP A 44 47.478 -11.507 0.031 1.00 0.00 N ATOM 684 CA ASP A 44 48.787 -10.881 -0.082 1.00 0.00 C ATOM 685 C ASP A 44 49.215 -10.356 1.300 1.00 0.00 C ATOM 686 O ASP A 44 50.256 -10.716 1.829 1.00 0.00 O ATOM 687 CB ASP A 44 48.749 -9.748 -1.141 1.00 0.00 C ATOM 688 CG ASP A 44 50.120 -9.555 -1.821 1.00 0.00 C ATOM 689 OD1 ASP A 44 51.133 -9.513 -1.123 1.00 0.00 O ATOM 690 OD2 ASP A 44 50.160 -9.456 -3.048 1.00 0.00 O ATOM 0 H ASP A 44 46.952 -11.269 0.872 1.00 0.00 H new ATOM 0 HA ASP A 44 49.523 -11.612 -0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 44 47.998 -9.981 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 44 48.444 -8.816 -0.665 1.00 0.00 H new ATOM 695 N GLU A 45 48.335 -9.477 1.828 1.00 0.00 N ATOM 696 CA GLU A 45 48.598 -8.785 3.089 1.00 0.00 C ATOM 697 C GLU A 45 47.329 -8.014 3.540 1.00 0.00 C ATOM 698 O GLU A 45 46.290 -8.104 2.881 1.00 0.00 O ATOM 699 CB GLU A 45 49.814 -7.832 2.960 1.00 0.00 C ATOM 700 CG GLU A 45 49.884 -7.102 1.602 1.00 0.00 C ATOM 701 CD GLU A 45 50.582 -5.727 1.663 1.00 0.00 C ATOM 702 OE1 GLU A 45 51.345 -5.473 2.596 1.00 0.00 O ATOM 703 OE2 GLU A 45 50.346 -4.914 0.768 1.00 0.00 O ATOM 704 OXT GLU A 45 47.394 -7.325 4.558 1.00 0.00 O ATOM 0 H GLU A 45 47.443 -9.237 1.395 1.00 0.00 H new ATOM 0 HA GLU A 45 48.846 -9.526 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 45 49.772 -7.092 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 45 50.731 -8.404 3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 45 50.412 -7.734 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 48.872 -6.967 1.221 1.00 0.00 H new TER 711 GLU A 45