USER MOD reduce.3.24.130724 H: found=0, std=0, add=349, rem=0, adj=8 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= 0.156 X(o=0.16,f=0) USER MOD Single : A 1 GLN N :NH3+ -125:sc= 0.403 (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 :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.32 USER MOD Single : A 26 CYS SG : rot 66:sc= -6.16! USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00601) USER MOD Single : A 29 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.0074) USER MOD Single : A 31 ASN : amide:sc= -0.151 K(o=-0.15,f=-2!) USER MOD Single : A 35 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.021) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.28) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.104 F(o=-1,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 28.884 11.082 7.437 1.00 0.00 N ATOM 2 CA GLN A 1 28.906 11.495 6.041 1.00 0.00 C ATOM 3 C GLN A 1 29.864 10.613 5.220 1.00 0.00 C ATOM 4 O GLN A 1 30.877 11.048 4.692 1.00 0.00 O ATOM 5 CB GLN A 1 29.264 12.992 5.935 1.00 0.00 C ATOM 6 CG GLN A 1 28.517 13.699 4.798 1.00 0.00 C ATOM 7 CD GLN A 1 28.782 15.209 4.847 1.00 0.00 C ATOM 8 OE1 GLN A 1 28.052 15.977 5.450 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.896 15.569 4.180 1.00 0.00 N ATOM 0 H1 GLN A 1 27.905 10.883 7.725 1.00 0.00 H new ATOM 0 H2 GLN A 1 29.460 10.224 7.554 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.272 11.843 8.030 1.00 0.00 H new ATOM 0 HA GLN A 1 27.911 11.360 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 1 29.031 13.485 6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.338 13.095 5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 1 28.838 13.297 3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 1 27.447 13.507 4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 1 30.454 14.863 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 1 30.182 16.548 4.155 1.00 0.00 H new ATOM 18 N GLU A 2 29.456 9.328 5.176 1.00 0.00 N ATOM 19 CA GLU A 2 30.276 8.303 4.549 1.00 0.00 C ATOM 20 C GLU A 2 29.971 8.181 3.063 1.00 0.00 C ATOM 21 O GLU A 2 30.866 7.873 2.296 1.00 0.00 O ATOM 22 CB GLU A 2 30.080 6.952 5.242 1.00 0.00 C ATOM 23 CG GLU A 2 30.589 6.968 6.682 1.00 0.00 C ATOM 24 CD GLU A 2 29.652 7.622 7.703 1.00 0.00 C ATOM 25 OE1 GLU A 2 28.488 7.240 7.757 1.00 0.00 O ATOM 26 OE2 GLU A 2 30.106 8.496 8.446 1.00 0.00 O ATOM 0 H GLU A 2 28.575 8.991 5.564 1.00 0.00 H new ATOM 0 HA GLU A 2 31.318 8.604 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.022 6.691 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.603 6.178 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.779 5.941 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.546 7.490 6.706 1.00 0.00 H new ATOM 33 N LYS A 3 28.683 8.440 2.723 1.00 0.00 N ATOM 34 CA LYS A 3 28.112 8.402 1.368 1.00 0.00 C ATOM 35 C LYS A 3 29.047 8.924 0.255 1.00 0.00 C ATOM 36 O LYS A 3 29.004 8.448 -0.873 1.00 0.00 O ATOM 37 CB LYS A 3 26.781 9.161 1.384 1.00 0.00 C ATOM 38 CG LYS A 3 26.860 10.586 1.965 1.00 0.00 C ATOM 39 CD LYS A 3 26.941 11.693 0.909 1.00 0.00 C ATOM 40 CE LYS A 3 25.629 11.861 0.135 1.00 0.00 C ATOM 41 NZ LYS A 3 25.494 13.191 -0.446 1.00 0.00 N ATOM 0 H LYS A 3 27.988 8.692 3.425 1.00 0.00 H new ATOM 0 HA LYS A 3 27.960 7.354 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 3 26.399 9.219 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 3 26.058 8.587 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 3 25.984 10.760 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 3 27.734 10.654 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 3 27.197 12.635 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 3 27.745 11.466 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 3 25.580 11.114 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 3 24.789 11.672 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 24.592 13.256 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 25.514 13.904 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 26.280 13.363 -1.105 1.00 0.00 H new ATOM 55 N GLU A 4 29.889 9.901 0.656 1.00 0.00 N ATOM 56 CA GLU A 4 30.940 10.480 -0.182 1.00 0.00 C ATOM 57 C GLU A 4 31.834 9.414 -0.823 1.00 0.00 C ATOM 58 O GLU A 4 32.027 9.370 -2.024 1.00 0.00 O ATOM 59 CB GLU A 4 31.841 11.342 0.715 1.00 0.00 C ATOM 60 CG GLU A 4 31.375 12.792 0.728 1.00 0.00 C ATOM 61 CD GLU A 4 32.324 13.722 1.506 1.00 0.00 C ATOM 62 OE1 GLU A 4 33.522 13.443 1.580 1.00 0.00 O ATOM 63 OE2 GLU A 4 31.852 14.729 2.027 1.00 0.00 O ATOM 0 H GLU A 4 29.850 10.311 1.589 1.00 0.00 H new ATOM 0 HA GLU A 4 30.455 11.049 -0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 4 31.835 10.946 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 4 32.870 11.291 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 4 31.286 13.149 -0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 4 30.380 12.844 1.171 1.00 0.00 H new ATOM 70 N ALA A 5 32.387 8.585 0.077 1.00 0.00 N ATOM 71 CA ALA A 5 33.216 7.495 -0.389 1.00 0.00 C ATOM 72 C ALA A 5 32.345 6.348 -0.892 1.00 0.00 C ATOM 73 O ALA A 5 32.788 5.591 -1.739 1.00 0.00 O ATOM 74 CB ALA A 5 34.123 7.038 0.735 1.00 0.00 C ATOM 0 H ALA A 5 32.274 8.653 1.088 1.00 0.00 H new ATOM 0 HA ALA A 5 33.833 7.835 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 5 34.749 6.216 0.386 1.00 0.00 H new ATOM 0 HB2 ALA A 5 34.756 7.867 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 5 33.518 6.701 1.577 1.00 0.00 H new ATOM 80 N ILE A 6 31.095 6.239 -0.378 1.00 0.00 N ATOM 81 CA ILE A 6 30.271 5.087 -0.766 1.00 0.00 C ATOM 82 C ILE A 6 30.011 5.025 -2.293 1.00 0.00 C ATOM 83 O ILE A 6 29.618 3.986 -2.801 1.00 0.00 O ATOM 84 CB ILE A 6 28.979 4.953 0.066 1.00 0.00 C ATOM 85 CG1 ILE A 6 29.276 5.057 1.571 1.00 0.00 C ATOM 86 CG2 ILE A 6 28.256 3.634 -0.216 1.00 0.00 C ATOM 87 CD1 ILE A 6 28.070 4.789 2.481 1.00 0.00 C ATOM 0 H ILE A 6 30.661 6.898 0.269 1.00 0.00 H new ATOM 0 HA ILE A 6 30.866 4.206 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 6 28.329 5.776 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 6 30.067 4.350 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 6 29.660 6.055 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 6 27.351 3.578 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.990 3.584 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 6 28.911 2.799 0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.373 4.884 3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.283 5.511 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.696 3.781 2.302 1.00 0.00 H new ATOM 99 N GLU A 7 30.278 6.157 -2.989 1.00 0.00 N ATOM 100 CA GLU A 7 30.183 6.218 -4.446 1.00 0.00 C ATOM 101 C GLU A 7 31.575 6.130 -5.106 1.00 0.00 C ATOM 102 O GLU A 7 31.703 5.664 -6.223 1.00 0.00 O ATOM 103 CB GLU A 7 29.456 7.508 -4.858 1.00 0.00 C ATOM 104 CG GLU A 7 30.324 8.771 -4.749 1.00 0.00 C ATOM 105 CD GLU A 7 29.536 10.046 -5.086 1.00 0.00 C ATOM 106 OE1 GLU A 7 28.651 10.406 -4.313 1.00 0.00 O ATOM 107 OE2 GLU A 7 29.818 10.670 -6.111 1.00 0.00 O ATOM 0 H GLU A 7 30.560 7.035 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 7 29.610 5.359 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.108 7.405 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.572 7.631 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.724 8.849 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.176 8.684 -5.423 1.00 0.00 H new ATOM 114 N ARG A 8 32.590 6.618 -4.357 1.00 0.00 N ATOM 115 CA ARG A 8 33.971 6.652 -4.837 1.00 0.00 C ATOM 116 C ARG A 8 34.626 5.254 -4.780 1.00 0.00 C ATOM 117 O ARG A 8 35.595 4.973 -5.464 1.00 0.00 O ATOM 118 CB ARG A 8 34.752 7.683 -3.991 1.00 0.00 C ATOM 119 CG ARG A 8 35.621 8.615 -4.847 1.00 0.00 C ATOM 120 CD ARG A 8 35.797 10.025 -4.253 1.00 0.00 C ATOM 121 NE ARG A 8 34.797 10.960 -4.773 1.00 0.00 N ATOM 122 CZ ARG A 8 34.789 11.368 -6.068 1.00 0.00 C ATOM 123 NH1 ARG A 8 35.693 10.923 -6.941 1.00 0.00 N ATOM 124 NH2 ARG A 8 33.861 12.223 -6.482 1.00 0.00 N ATOM 0 H ARG A 8 32.467 6.992 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 8 33.988 6.952 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 8 34.048 8.280 -3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 8 35.385 7.156 -3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 8 36.603 8.161 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 8 35.176 8.702 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 8 35.718 9.975 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 8 36.796 10.395 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 8 34.081 11.317 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 8 36.410 10.262 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 8 35.668 11.243 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 8 33.159 12.570 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 8 33.850 12.533 -7.454 1.00 0.00 H new ATOM 138 N LEU A 9 34.015 4.423 -3.916 1.00 0.00 N ATOM 139 CA LEU A 9 34.415 3.057 -3.623 1.00 0.00 C ATOM 140 C LEU A 9 33.654 2.099 -4.550 1.00 0.00 C ATOM 141 O LEU A 9 34.099 1.013 -4.883 1.00 0.00 O ATOM 142 CB LEU A 9 34.029 2.762 -2.181 1.00 0.00 C ATOM 143 CG LEU A 9 34.726 3.645 -1.135 1.00 0.00 C ATOM 144 CD1 LEU A 9 33.872 3.642 0.137 1.00 0.00 C ATOM 145 CD2 LEU A 9 36.163 3.241 -0.854 1.00 0.00 C ATOM 0 H LEU A 9 33.193 4.710 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 9 35.487 2.929 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 9 32.951 2.881 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.257 1.718 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 9 34.804 4.656 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.347 4.263 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.882 4.038 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 9 33.778 2.622 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 9 36.589 3.910 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 9 36.187 2.217 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 9 36.746 3.306 -1.773 1.00 0.00 H new ATOM 157 N LYS A 10 32.462 2.602 -4.922 1.00 0.00 N ATOM 158 CA LYS A 10 31.593 1.930 -5.875 1.00 0.00 C ATOM 159 C LYS A 10 32.071 2.204 -7.318 1.00 0.00 C ATOM 160 O LYS A 10 31.861 1.417 -8.227 1.00 0.00 O ATOM 161 CB LYS A 10 30.163 2.478 -5.676 1.00 0.00 C ATOM 162 CG LYS A 10 29.129 1.406 -5.320 1.00 0.00 C ATOM 163 CD LYS A 10 28.205 0.985 -6.468 1.00 0.00 C ATOM 164 CE LYS A 10 27.422 2.129 -7.116 1.00 0.00 C ATOM 165 NZ LYS A 10 26.067 1.696 -7.433 1.00 0.00 N ATOM 0 H LYS A 10 32.086 3.481 -4.566 1.00 0.00 H new ATOM 0 HA LYS A 10 31.614 0.852 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 10 30.179 3.229 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 10 29.848 2.983 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 10 29.655 0.523 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 10 28.516 1.774 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 10 28.803 0.493 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.497 0.246 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.390 2.985 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.928 2.457 -8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.545 2.481 -7.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 26.105 0.893 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.583 1.404 -6.560 1.00 0.00 H new ATOM 179 N ALA A 11 32.716 3.385 -7.454 1.00 0.00 N ATOM 180 CA ALA A 11 33.191 3.869 -8.744 1.00 0.00 C ATOM 181 C ALA A 11 34.508 3.186 -9.147 1.00 0.00 C ATOM 182 O ALA A 11 34.857 3.143 -10.317 1.00 0.00 O ATOM 183 CB ALA A 11 33.369 5.389 -8.673 1.00 0.00 C ATOM 0 H ALA A 11 32.914 4.013 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 11 32.453 3.623 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 11 33.724 5.759 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 11 32.414 5.856 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 11 34.096 5.634 -7.899 1.00 0.00 H new ATOM 189 N LEU A 12 35.174 2.611 -8.115 1.00 0.00 N ATOM 190 CA LEU A 12 36.305 1.702 -8.305 1.00 0.00 C ATOM 191 C LEU A 12 35.920 0.500 -9.199 1.00 0.00 C ATOM 192 O LEU A 12 36.783 -0.131 -9.793 1.00 0.00 O ATOM 193 CB LEU A 12 36.774 1.220 -6.917 1.00 0.00 C ATOM 194 CG LEU A 12 37.810 2.171 -6.276 1.00 0.00 C ATOM 195 CD1 LEU A 12 37.620 2.341 -4.757 1.00 0.00 C ATOM 196 CD2 LEU A 12 39.229 1.689 -6.537 1.00 0.00 C ATOM 0 H LEU A 12 34.935 2.771 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 12 37.112 2.229 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 12 35.911 1.131 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 12 37.209 0.225 -7.010 1.00 0.00 H new ATOM 0 HG LEU A 12 37.646 3.140 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.379 3.020 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 36.630 2.751 -4.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 37.716 1.372 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.938 2.376 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.359 0.694 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 12 39.408 1.651 -7.611 1.00 0.00 H new ATOM 208 N GLY A 13 34.591 0.246 -9.258 1.00 0.00 N ATOM 209 CA GLY A 13 34.013 -0.807 -10.093 1.00 0.00 C ATOM 210 C GLY A 13 33.109 -1.753 -9.285 1.00 0.00 C ATOM 211 O GLY A 13 32.540 -2.698 -9.816 1.00 0.00 O ATOM 0 H GLY A 13 33.899 0.771 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.435 -0.354 -10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.814 -1.381 -10.559 1.00 0.00 H new ATOM 215 N PHE A 14 33.046 -1.457 -7.970 1.00 0.00 N ATOM 216 CA PHE A 14 32.474 -2.349 -6.987 1.00 0.00 C ATOM 217 C PHE A 14 31.055 -1.894 -6.626 1.00 0.00 C ATOM 218 O PHE A 14 30.686 -0.741 -6.946 1.00 0.00 O ATOM 219 CB PHE A 14 33.423 -2.284 -5.773 1.00 0.00 C ATOM 220 CG PHE A 14 34.835 -2.790 -6.033 1.00 0.00 C ATOM 221 CD1 PHE A 14 35.209 -3.498 -7.185 1.00 0.00 C ATOM 222 CD2 PHE A 14 35.809 -2.556 -5.069 1.00 0.00 C ATOM 223 CE1 PHE A 14 36.517 -3.951 -7.363 1.00 0.00 C ATOM 224 CE2 PHE A 14 37.096 -3.033 -5.224 1.00 0.00 C ATOM 225 CZ PHE A 14 37.464 -3.721 -6.370 1.00 0.00 C ATOM 0 H PHE A 14 33.397 -0.584 -7.577 1.00 0.00 H new ATOM 0 HA PHE A 14 32.382 -3.372 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 14 33.481 -1.251 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 14 32.989 -2.865 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 14 34.471 -3.696 -7.948 1.00 0.00 H new ATOM 0 HD2 PHE A 14 35.555 -1.992 -4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 14 36.792 -4.477 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 14 37.824 -2.868 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 14 38.477 -4.075 -6.491 1.00 0.00 H new ATOM 235 N PRO A 15 30.260 -2.767 -5.976 1.00 0.00 N ATOM 236 CA PRO A 15 28.918 -2.462 -5.469 1.00 0.00 C ATOM 237 C PRO A 15 28.942 -1.881 -4.046 1.00 0.00 C ATOM 238 O PRO A 15 29.814 -2.205 -3.249 1.00 0.00 O ATOM 239 CB PRO A 15 28.231 -3.822 -5.429 1.00 0.00 C ATOM 240 CG PRO A 15 29.362 -4.799 -5.118 1.00 0.00 C ATOM 241 CD PRO A 15 30.613 -4.176 -5.743 1.00 0.00 C ATOM 0 HA PRO A 15 28.424 -1.718 -6.094 1.00 0.00 H new ATOM 0 HB2 PRO A 15 27.454 -3.854 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 15 27.752 -4.055 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 15 29.483 -4.932 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 15 29.159 -5.783 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 15 31.472 -4.263 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 15 30.880 -4.675 -6.674 1.00 0.00 H new ATOM 249 N GLU A 16 27.937 -1.018 -3.775 1.00 0.00 N ATOM 250 CA GLU A 16 27.774 -0.334 -2.491 1.00 0.00 C ATOM 251 C GLU A 16 27.723 -1.299 -1.272 1.00 0.00 C ATOM 252 O GLU A 16 27.882 -0.887 -0.132 1.00 0.00 O ATOM 253 CB GLU A 16 26.517 0.553 -2.545 1.00 0.00 C ATOM 254 CG GLU A 16 26.228 1.269 -1.208 1.00 0.00 C ATOM 255 CD GLU A 16 25.405 2.579 -1.322 1.00 0.00 C ATOM 256 OE1 GLU A 16 25.399 3.199 -2.384 1.00 0.00 O ATOM 257 OE2 GLU A 16 24.785 2.976 -0.333 1.00 0.00 O ATOM 0 H GLU A 16 27.214 -0.781 -4.454 1.00 0.00 H new ATOM 0 HA GLU A 16 28.661 0.281 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 16 26.638 1.298 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 25.657 -0.060 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 25.694 0.580 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 16 27.178 1.497 -0.724 1.00 0.00 H new ATOM 264 N SER A 17 27.491 -2.589 -1.578 1.00 0.00 N ATOM 265 CA SER A 17 27.325 -3.608 -0.553 1.00 0.00 C ATOM 266 C SER A 17 28.659 -3.957 0.141 1.00 0.00 C ATOM 267 O SER A 17 28.730 -4.024 1.357 1.00 0.00 O ATOM 268 CB SER A 17 26.700 -4.855 -1.213 1.00 0.00 C ATOM 269 OG SER A 17 25.482 -5.245 -0.607 1.00 0.00 O ATOM 0 H SER A 17 27.416 -2.940 -2.533 1.00 0.00 H new ATOM 0 HA SER A 17 26.669 -3.226 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 17 26.526 -4.652 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 17 27.408 -5.682 -1.160 1.00 0.00 H new ATOM 0 HG SER A 17 25.128 -6.037 -1.063 1.00 0.00 H new ATOM 275 N LEU A 18 29.700 -4.169 -0.705 1.00 0.00 N ATOM 276 CA LEU A 18 31.032 -4.463 -0.174 1.00 0.00 C ATOM 277 C LEU A 18 31.747 -3.179 0.271 1.00 0.00 C ATOM 278 O LEU A 18 32.651 -3.213 1.092 1.00 0.00 O ATOM 279 CB LEU A 18 31.859 -5.284 -1.181 1.00 0.00 C ATOM 280 CG LEU A 18 32.286 -4.604 -2.494 1.00 0.00 C ATOM 281 CD1 LEU A 18 33.347 -3.544 -2.257 1.00 0.00 C ATOM 282 CD2 LEU A 18 32.852 -5.641 -3.480 1.00 0.00 C ATOM 0 H LEU A 18 29.636 -4.141 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 18 30.918 -5.081 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.761 -5.624 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.284 -6.174 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 18 31.395 -4.133 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.623 -3.086 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.954 -2.780 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 18 34.227 -4.004 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.149 -5.142 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 18 33.720 -6.129 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 18 32.089 -6.388 -3.701 1.00 0.00 H new ATOM 294 N VAL A 19 31.269 -2.067 -0.327 1.00 0.00 N ATOM 295 CA VAL A 19 31.821 -0.740 -0.113 1.00 0.00 C ATOM 296 C VAL A 19 31.604 -0.304 1.339 1.00 0.00 C ATOM 297 O VAL A 19 32.519 0.139 2.013 1.00 0.00 O ATOM 298 CB VAL A 19 31.093 0.233 -1.043 1.00 0.00 C ATOM 299 CG1 VAL A 19 31.302 1.669 -0.620 1.00 0.00 C ATOM 300 CG2 VAL A 19 31.519 0.106 -2.512 1.00 0.00 C ATOM 0 H VAL A 19 30.482 -2.080 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 19 32.891 -0.748 -0.320 1.00 0.00 H new ATOM 0 HB VAL A 19 30.041 -0.040 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 19 30.770 2.331 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 19 30.920 1.810 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 19 32.366 1.904 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 30.964 0.824 -3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 19 32.587 0.307 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 19 31.309 -0.903 -2.866 1.00 0.00 H new ATOM 310 N ILE A 20 30.320 -0.443 1.740 1.00 0.00 N ATOM 311 CA ILE A 20 29.856 -0.076 3.065 1.00 0.00 C ATOM 312 C ILE A 20 30.733 -0.726 4.130 1.00 0.00 C ATOM 313 O ILE A 20 31.317 -0.064 4.972 1.00 0.00 O ATOM 314 CB ILE A 20 28.347 -0.427 3.189 1.00 0.00 C ATOM 315 CG1 ILE A 20 27.547 0.787 3.648 1.00 0.00 C ATOM 316 CG2 ILE A 20 27.974 -1.657 4.036 1.00 0.00 C ATOM 317 CD1 ILE A 20 27.812 1.141 5.105 1.00 0.00 C ATOM 0 H ILE A 20 29.586 -0.816 1.138 1.00 0.00 H new ATOM 0 HA ILE A 20 29.946 0.998 3.225 1.00 0.00 H new ATOM 0 HB ILE A 20 28.079 -0.720 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 20 27.796 1.641 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 20 26.484 0.590 3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 20 26.891 -1.784 4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.444 -2.545 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.322 -1.514 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 20 27.218 2.012 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 20 27.538 0.298 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.870 1.366 5.238 1.00 0.00 H new ATOM 329 N GLN A 21 30.803 -2.061 4.004 1.00 0.00 N ATOM 330 CA GLN A 21 31.489 -2.834 5.018 1.00 0.00 C ATOM 331 C GLN A 21 33.014 -2.723 4.878 1.00 0.00 C ATOM 332 O GLN A 21 33.741 -3.040 5.809 1.00 0.00 O ATOM 333 CB GLN A 21 31.015 -4.291 4.957 1.00 0.00 C ATOM 334 CG GLN A 21 30.772 -4.853 6.366 1.00 0.00 C ATOM 335 CD GLN A 21 30.471 -6.358 6.370 1.00 0.00 C ATOM 336 OE1 GLN A 21 29.657 -6.754 5.369 1.00 0.00 O flip ATOM 337 NE2 GLN A 21 30.941 -7.100 7.214 1.00 0.00 N flip ATOM 0 H GLN A 21 30.405 -2.600 3.235 1.00 0.00 H new ATOM 0 HA GLN A 21 31.241 -2.428 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 21 30.096 -4.354 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 21 31.761 -4.898 4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 21 31.650 -4.662 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 21 29.939 -4.321 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 21 31.550 -6.725 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 21 30.726 -8.097 7.194 1.00 0.00 H new ATOM 346 N ALA A 22 33.454 -2.252 3.692 1.00 0.00 N ATOM 347 CA ALA A 22 34.876 -2.059 3.453 1.00 0.00 C ATOM 348 C ALA A 22 35.378 -0.717 3.990 1.00 0.00 C ATOM 349 O ALA A 22 36.551 -0.596 4.291 1.00 0.00 O ATOM 350 CB ALA A 22 35.205 -2.104 1.967 1.00 0.00 C ATOM 0 H ALA A 22 32.849 -2.007 2.908 1.00 0.00 H new ATOM 0 HA ALA A 22 35.371 -2.875 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 22 36.276 -1.956 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 22 34.916 -3.073 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 22 34.659 -1.315 1.449 1.00 0.00 H new ATOM 356 N TYR A 23 34.463 0.271 4.084 1.00 0.00 N ATOM 357 CA TYR A 23 34.864 1.568 4.631 1.00 0.00 C ATOM 358 C TYR A 23 34.855 1.473 6.161 1.00 0.00 C ATOM 359 O TYR A 23 35.803 1.839 6.837 1.00 0.00 O ATOM 360 CB TYR A 23 33.908 2.676 4.130 1.00 0.00 C ATOM 361 CG TYR A 23 34.617 3.954 3.764 1.00 0.00 C ATOM 362 CD1 TYR A 23 35.495 3.949 2.701 1.00 0.00 C ATOM 363 CD2 TYR A 23 34.392 5.150 4.435 1.00 0.00 C ATOM 364 CE1 TYR A 23 36.153 5.103 2.312 1.00 0.00 C ATOM 365 CE2 TYR A 23 35.059 6.314 4.069 1.00 0.00 C ATOM 366 CZ TYR A 23 35.948 6.294 2.999 1.00 0.00 C ATOM 367 OH TYR A 23 36.634 7.423 2.591 1.00 0.00 O ATOM 0 H TYR A 23 33.486 0.196 3.800 1.00 0.00 H new ATOM 0 HA TYR A 23 35.868 1.827 4.295 1.00 0.00 H new ATOM 0 HB2 TYR A 23 33.362 2.310 3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 23 33.170 2.887 4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 23 35.672 3.030 2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.688 5.176 5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 23 36.829 5.078 1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 23 34.887 7.231 4.614 1.00 0.00 H new ATOM 0 HH TYR A 23 36.389 8.179 3.164 1.00 0.00 H new ATOM 377 N PHE A 24 33.710 0.921 6.613 1.00 0.00 N ATOM 378 CA PHE A 24 33.339 0.739 8.007 1.00 0.00 C ATOM 379 C PHE A 24 34.303 -0.245 8.719 1.00 0.00 C ATOM 380 O PHE A 24 34.665 -0.040 9.868 1.00 0.00 O ATOM 381 CB PHE A 24 31.875 0.242 8.095 1.00 0.00 C ATOM 382 CG PHE A 24 30.797 1.281 7.830 1.00 0.00 C ATOM 383 CD1 PHE A 24 30.862 2.166 6.754 1.00 0.00 C ATOM 384 CD2 PHE A 24 29.701 1.380 8.686 1.00 0.00 C ATOM 385 CE1 PHE A 24 29.900 3.145 6.556 1.00 0.00 C ATOM 386 CE2 PHE A 24 28.728 2.359 8.494 1.00 0.00 C ATOM 387 CZ PHE A 24 28.834 3.249 7.437 1.00 0.00 C ATOM 0 H PHE A 24 32.993 0.578 5.974 1.00 0.00 H new ATOM 0 HA PHE A 24 33.418 1.698 8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.747 -0.574 7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 24 31.713 -0.174 9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 24 31.683 2.087 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.605 0.688 9.510 1.00 0.00 H new ATOM 0 HE1 PHE A 24 29.981 3.823 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 24 27.889 2.424 9.171 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.090 4.020 7.300 1.00 0.00 H new ATOM 397 N ALA A 25 34.709 -1.302 7.969 1.00 0.00 N ATOM 398 CA ALA A 25 35.686 -2.260 8.491 1.00 0.00 C ATOM 399 C ALA A 25 37.089 -1.644 8.568 1.00 0.00 C ATOM 400 O ALA A 25 37.881 -2.015 9.419 1.00 0.00 O ATOM 401 CB ALA A 25 35.762 -3.526 7.627 1.00 0.00 C ATOM 0 H ALA A 25 34.378 -1.500 7.025 1.00 0.00 H new ATOM 0 HA ALA A 25 35.344 -2.526 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 25 36.498 -4.211 8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 25 34.786 -4.011 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 25 36.056 -3.257 6.612 1.00 0.00 H new ATOM 407 N CYS A 26 37.340 -0.688 7.645 1.00 0.00 N ATOM 408 CA CYS A 26 38.625 0.008 7.639 1.00 0.00 C ATOM 409 C CYS A 26 38.588 1.307 8.466 1.00 0.00 C ATOM 410 O CYS A 26 39.493 2.119 8.355 1.00 0.00 O ATOM 411 CB CYS A 26 39.053 0.299 6.196 1.00 0.00 C ATOM 412 SG CYS A 26 40.563 -0.585 5.770 1.00 0.00 S ATOM 0 H CYS A 26 36.685 -0.395 6.920 1.00 0.00 H new ATOM 0 HA CYS A 26 39.359 -0.647 8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 26 38.255 0.010 5.512 1.00 0.00 H new ATOM 0 HB3 CYS A 26 39.208 1.370 6.070 1.00 0.00 H new ATOM 0 HG CYS A 26 40.332 -1.864 5.771 1.00 0.00 H new ATOM 418 N GLU A 27 37.517 1.476 9.282 1.00 0.00 N ATOM 419 CA GLU A 27 37.346 2.694 10.078 1.00 0.00 C ATOM 420 C GLU A 27 37.242 3.931 9.155 1.00 0.00 C ATOM 421 O GLU A 27 38.142 4.748 9.065 1.00 0.00 O ATOM 422 CB GLU A 27 38.455 2.832 11.151 1.00 0.00 C ATOM 423 CG GLU A 27 38.502 4.235 11.803 1.00 0.00 C ATOM 424 CD GLU A 27 39.010 4.278 13.254 1.00 0.00 C ATOM 425 OE1 GLU A 27 38.825 3.305 13.979 1.00 0.00 O ATOM 426 OE2 GLU A 27 39.576 5.301 13.649 1.00 0.00 O ATOM 0 H GLU A 27 36.774 0.787 9.398 1.00 0.00 H new ATOM 0 HA GLU A 27 36.407 2.624 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.296 2.083 11.927 1.00 0.00 H new ATOM 0 HB3 GLU A 27 39.422 2.618 10.695 1.00 0.00 H new ATOM 0 HG2 GLU A 27 39.139 4.877 11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.500 4.662 11.775 1.00 0.00 H new ATOM 433 N LYS A 28 36.073 3.986 8.491 1.00 0.00 N ATOM 434 CA LYS A 28 35.627 5.086 7.640 1.00 0.00 C ATOM 435 C LYS A 28 36.751 5.831 6.877 1.00 0.00 C ATOM 436 O LYS A 28 36.763 7.056 6.788 1.00 0.00 O ATOM 437 CB LYS A 28 34.732 6.013 8.496 1.00 0.00 C ATOM 438 CG LYS A 28 33.306 6.026 7.969 1.00 0.00 C ATOM 439 CD LYS A 28 32.654 4.639 8.036 1.00 0.00 C ATOM 440 CE LYS A 28 31.642 4.500 9.178 1.00 0.00 C ATOM 441 NZ LYS A 28 32.250 4.714 10.478 1.00 0.00 N ATOM 0 H LYS A 28 35.390 3.230 8.540 1.00 0.00 H new ATOM 0 HA LYS A 28 35.048 4.668 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.738 5.676 9.532 1.00 0.00 H new ATOM 0 HB3 LYS A 28 35.137 7.025 8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.712 6.734 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.304 6.378 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.154 4.434 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.432 3.885 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.834 5.217 9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 28 31.196 3.506 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 31.536 4.577 11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 33.027 4.036 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.624 5.683 10.531 1.00 0.00 H new ATOM 455 N ASN A 29 37.698 5.024 6.360 1.00 0.00 N ATOM 456 CA ASN A 29 38.945 5.577 5.833 1.00 0.00 C ATOM 457 C ASN A 29 38.940 5.458 4.332 1.00 0.00 C ATOM 458 O ASN A 29 38.389 4.505 3.798 1.00 0.00 O ATOM 459 CB ASN A 29 40.132 4.757 6.354 1.00 0.00 C ATOM 460 CG ASN A 29 41.051 5.619 7.217 1.00 0.00 C ATOM 461 OD1 ASN A 29 41.591 6.621 6.776 1.00 0.00 O ATOM 462 ND2 ASN A 29 41.167 5.168 8.478 1.00 0.00 N ATOM 0 H ASN A 29 37.620 4.009 6.300 1.00 0.00 H new ATOM 0 HA ASN A 29 39.031 6.618 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 29 39.767 3.911 6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 29 40.693 4.348 5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 29 41.743 5.675 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 29 40.679 4.319 8.763 1.00 0.00 H new ATOM 469 N GLU A 30 39.582 6.443 3.687 1.00 0.00 N ATOM 470 CA GLU A 30 39.527 6.562 2.236 1.00 0.00 C ATOM 471 C GLU A 30 40.634 5.737 1.578 1.00 0.00 C ATOM 472 O GLU A 30 40.398 4.938 0.688 1.00 0.00 O ATOM 473 CB GLU A 30 39.506 8.035 1.786 1.00 0.00 C ATOM 474 CG GLU A 30 39.335 9.055 2.935 1.00 0.00 C ATOM 475 CD GLU A 30 38.788 10.412 2.458 1.00 0.00 C ATOM 476 OE1 GLU A 30 37.895 10.425 1.611 1.00 0.00 O ATOM 477 OE2 GLU A 30 39.246 11.442 2.953 1.00 0.00 O ATOM 0 H GLU A 30 40.140 7.161 4.150 1.00 0.00 H new ATOM 0 HA GLU A 30 38.583 6.139 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 30 40.434 8.254 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 30 38.694 8.172 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 30 38.660 8.640 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 30 40.297 9.209 3.423 1.00 0.00 H new ATOM 484 N ASN A 31 41.848 5.987 2.105 1.00 0.00 N ATOM 485 CA ASN A 31 43.032 5.283 1.647 1.00 0.00 C ATOM 486 C ASN A 31 43.000 3.822 2.099 1.00 0.00 C ATOM 487 O ASN A 31 43.284 2.929 1.320 1.00 0.00 O ATOM 488 CB ASN A 31 44.283 5.984 2.210 1.00 0.00 C ATOM 489 CG ASN A 31 44.920 6.950 1.200 1.00 0.00 C ATOM 490 OD1 ASN A 31 44.494 7.099 0.066 1.00 0.00 O ATOM 491 ND2 ASN A 31 46.004 7.574 1.701 1.00 0.00 N ATOM 0 H ASN A 31 42.021 6.669 2.843 1.00 0.00 H new ATOM 0 HA ASN A 31 43.059 5.300 0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 31 44.013 6.533 3.112 1.00 0.00 H new ATOM 0 HB3 ASN A 31 45.017 5.232 2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 31 46.532 8.225 1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 31 46.297 7.395 2.662 1.00 0.00 H new ATOM 498 N LEU A 32 42.636 3.647 3.393 1.00 0.00 N ATOM 499 CA LEU A 32 42.608 2.308 3.972 1.00 0.00 C ATOM 500 C LEU A 32 41.552 1.435 3.281 1.00 0.00 C ATOM 501 O LEU A 32 41.770 0.256 3.064 1.00 0.00 O ATOM 502 CB LEU A 32 42.345 2.380 5.490 1.00 0.00 C ATOM 503 CG LEU A 32 43.138 1.338 6.293 1.00 0.00 C ATOM 504 CD1 LEU A 32 44.614 1.738 6.377 1.00 0.00 C ATOM 505 CD2 LEU A 32 42.555 1.149 7.698 1.00 0.00 C ATOM 0 H LEU A 32 42.368 4.399 4.028 1.00 0.00 H new ATOM 0 HA LEU A 32 43.583 1.848 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.600 3.377 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.280 2.238 5.675 1.00 0.00 H new ATOM 0 HG LEU A 32 43.060 0.385 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.162 0.989 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.031 1.803 5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.701 2.706 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.141 0.405 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.588 2.096 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.522 0.811 7.621 1.00 0.00 H new ATOM 517 N ALA A 33 40.422 2.103 2.937 1.00 0.00 N ATOM 518 CA ALA A 33 39.329 1.424 2.253 1.00 0.00 C ATOM 519 C ALA A 33 39.684 1.049 0.820 1.00 0.00 C ATOM 520 O ALA A 33 39.357 -0.040 0.388 1.00 0.00 O ATOM 521 CB ALA A 33 38.100 2.305 2.212 1.00 0.00 C ATOM 0 H ALA A 33 40.259 3.092 3.124 1.00 0.00 H new ATOM 0 HA ALA A 33 39.135 0.513 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.294 1.782 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.788 2.542 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.331 3.228 1.680 1.00 0.00 H new ATOM 527 N ALA A 34 40.388 1.968 0.125 1.00 0.00 N ATOM 528 CA ALA A 34 40.883 1.674 -1.225 1.00 0.00 C ATOM 529 C ALA A 34 42.081 0.691 -1.204 1.00 0.00 C ATOM 530 O ALA A 34 42.725 0.448 -2.214 1.00 0.00 O ATOM 531 CB ALA A 34 41.282 2.982 -1.912 1.00 0.00 C ATOM 0 H ALA A 34 40.620 2.899 0.472 1.00 0.00 H new ATOM 0 HA ALA A 34 40.081 1.190 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 34 41.650 2.768 -2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 34 40.414 3.639 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 34 42.066 3.472 -1.334 1.00 0.00 H new ATOM 537 N ASN A 35 42.315 0.144 0.004 1.00 0.00 N ATOM 538 CA ASN A 35 43.268 -0.920 0.250 1.00 0.00 C ATOM 539 C ASN A 35 42.510 -2.171 0.746 1.00 0.00 C ATOM 540 O ASN A 35 42.947 -3.290 0.531 1.00 0.00 O ATOM 541 CB ASN A 35 44.284 -0.406 1.297 1.00 0.00 C ATOM 542 CG ASN A 35 45.725 -0.547 0.787 1.00 0.00 C ATOM 543 OD1 ASN A 35 46.540 -1.259 1.351 1.00 0.00 O ATOM 544 ND2 ASN A 35 45.911 0.047 -0.405 1.00 0.00 N ATOM 0 H ASN A 35 41.827 0.447 0.847 1.00 0.00 H new ATOM 0 HA ASN A 35 43.805 -1.200 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 35 44.077 0.639 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 35 44.168 -0.965 2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 35 46.788 -0.083 -0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 35 45.175 0.628 -0.806 1.00 0.00 H new ATOM 551 N PHE A 36 41.353 -1.933 1.403 1.00 0.00 N ATOM 552 CA PHE A 36 40.518 -3.046 1.867 1.00 0.00 C ATOM 553 C PHE A 36 39.562 -3.519 0.743 1.00 0.00 C ATOM 554 O PHE A 36 38.921 -4.556 0.819 1.00 0.00 O ATOM 555 CB PHE A 36 39.736 -2.626 3.120 1.00 0.00 C ATOM 556 CG PHE A 36 39.225 -3.811 3.900 1.00 0.00 C ATOM 557 CD1 PHE A 36 40.023 -4.384 4.882 1.00 0.00 C ATOM 558 CD2 PHE A 36 37.969 -4.351 3.653 1.00 0.00 C ATOM 559 CE1 PHE A 36 39.578 -5.479 5.607 1.00 0.00 C ATOM 560 CE2 PHE A 36 37.520 -5.452 4.371 1.00 0.00 C ATOM 561 CZ PHE A 36 38.325 -6.015 5.351 1.00 0.00 C ATOM 0 H PHE A 36 40.989 -1.004 1.616 1.00 0.00 H new ATOM 0 HA PHE A 36 41.162 -3.886 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 36 40.378 -2.022 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 36 38.895 -1.997 2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 36 41.001 -3.972 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 37.336 -3.911 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 36 40.206 -5.914 6.370 1.00 0.00 H new ATOM 0 HE2 PHE A 36 36.545 -5.870 4.167 1.00 0.00 H new ATOM 0 HZ PHE A 36 37.976 -6.869 5.913 1.00 0.00 H new ATOM 571 N LEU A 37 39.511 -2.681 -0.304 1.00 0.00 N ATOM 572 CA LEU A 37 38.672 -2.933 -1.454 1.00 0.00 C ATOM 573 C LEU A 37 39.519 -3.598 -2.541 1.00 0.00 C ATOM 574 O LEU A 37 39.106 -4.568 -3.161 1.00 0.00 O ATOM 575 CB LEU A 37 38.043 -1.585 -1.847 1.00 0.00 C ATOM 576 CG LEU A 37 36.845 -1.298 -0.930 1.00 0.00 C ATOM 577 CD1 LEU A 37 36.682 0.144 -0.493 1.00 0.00 C ATOM 578 CD2 LEU A 37 35.562 -1.773 -1.572 1.00 0.00 C ATOM 0 H LEU A 37 40.052 -1.818 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 37 37.854 -3.628 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.781 -0.787 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.721 -1.610 -2.888 1.00 0.00 H new ATOM 0 HG LEU A 37 37.064 -1.857 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.806 0.233 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.569 0.460 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.553 0.778 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 37 34.723 -1.562 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 37 35.415 -1.254 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.621 -2.846 -1.752 1.00 0.00 H new ATOM 590 N LEU A 38 40.725 -3.014 -2.718 1.00 0.00 N ATOM 591 CA LEU A 38 41.573 -3.391 -3.843 1.00 0.00 C ATOM 592 C LEU A 38 42.729 -4.323 -3.455 1.00 0.00 C ATOM 593 O LEU A 38 43.445 -4.805 -4.321 1.00 0.00 O ATOM 594 CB LEU A 38 42.149 -2.144 -4.517 1.00 0.00 C ATOM 595 CG LEU A 38 41.200 -0.946 -4.639 1.00 0.00 C ATOM 596 CD1 LEU A 38 41.859 0.125 -5.513 1.00 0.00 C ATOM 597 CD2 LEU A 38 39.804 -1.325 -5.144 1.00 0.00 C ATOM 0 H LEU A 38 41.116 -2.298 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 38 40.928 -3.939 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 38 43.031 -1.828 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 38 42.486 -2.419 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 38 41.032 -0.545 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 38 41.191 0.981 -5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 42.795 0.443 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 38 42.061 -0.286 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.184 -0.430 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.885 -1.780 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.348 -2.035 -4.454 1.00 0.00 H new ATOM 609 N SER A 39 42.867 -4.545 -2.132 1.00 0.00 N ATOM 610 CA SER A 39 43.912 -5.441 -1.641 1.00 0.00 C ATOM 611 C SER A 39 43.312 -6.571 -0.782 1.00 0.00 C ATOM 612 O SER A 39 44.014 -7.507 -0.431 1.00 0.00 O ATOM 613 CB SER A 39 44.982 -4.633 -0.878 1.00 0.00 C ATOM 614 OG SER A 39 46.301 -5.004 -1.237 1.00 0.00 O ATOM 0 H SER A 39 42.282 -4.126 -1.409 1.00 0.00 H new ATOM 0 HA SER A 39 44.399 -5.920 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 39 44.840 -3.571 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 39 44.846 -4.778 0.194 1.00 0.00 H new ATOM 0 HG SER A 39 46.942 -4.464 -0.729 1.00 0.00 H new ATOM 620 N GLN A 40 41.995 -6.438 -0.483 1.00 0.00 N ATOM 621 CA GLN A 40 41.275 -7.444 0.307 1.00 0.00 C ATOM 622 C GLN A 40 40.183 -8.068 -0.569 1.00 0.00 C ATOM 623 O GLN A 40 39.004 -7.745 -0.471 1.00 0.00 O ATOM 624 CB GLN A 40 40.682 -6.789 1.573 1.00 0.00 C ATOM 625 CG GLN A 40 41.061 -7.499 2.876 1.00 0.00 C ATOM 626 CD GLN A 40 40.128 -8.678 3.164 1.00 0.00 C ATOM 627 OE1 GLN A 40 38.914 -8.572 3.115 1.00 0.00 O ATOM 628 NE2 GLN A 40 40.789 -9.808 3.483 1.00 0.00 N ATOM 0 H GLN A 40 41.422 -5.647 -0.779 1.00 0.00 H new ATOM 0 HA GLN A 40 41.955 -8.232 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.017 -5.753 1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.596 -6.769 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 40 42.089 -7.855 2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.020 -6.790 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.809 -9.814 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.270 -10.657 3.706 1.00 0.00 H new ATOM 637 N ASN A 41 40.661 -8.989 -1.427 1.00 0.00 N ATOM 638 CA ASN A 41 39.765 -9.761 -2.274 1.00 0.00 C ATOM 639 C ASN A 41 40.501 -11.066 -2.644 1.00 0.00 C ATOM 640 O ASN A 41 41.333 -11.555 -1.884 1.00 0.00 O ATOM 641 CB ASN A 41 39.368 -8.895 -3.499 1.00 0.00 C ATOM 642 CG ASN A 41 37.936 -9.099 -4.029 1.00 0.00 C ATOM 643 OD1 ASN A 41 37.370 -10.278 -3.708 1.00 0.00 O flip ATOM 644 ND2 ASN A 41 37.378 -8.226 -4.674 1.00 0.00 N flip ATOM 0 H ASN A 41 41.651 -9.207 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 41 38.834 -10.032 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 41 39.490 -7.845 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 41 40.068 -9.102 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 41 37.866 -7.355 -4.882 1.00 0.00 H new ATOM 0 HD22 ASN A 41 36.424 -8.368 -5.005 1.00 0.00 H new ATOM 651 N PHE A 42 40.160 -11.588 -3.840 1.00 0.00 N ATOM 652 CA PHE A 42 40.705 -12.859 -4.299 1.00 0.00 C ATOM 653 C PHE A 42 40.667 -12.899 -5.836 1.00 0.00 C ATOM 654 O PHE A 42 41.697 -12.914 -6.490 1.00 0.00 O ATOM 655 CB PHE A 42 39.916 -14.021 -3.665 1.00 0.00 C ATOM 656 CG PHE A 42 40.274 -15.363 -4.254 1.00 0.00 C ATOM 657 CD1 PHE A 42 41.602 -15.764 -4.354 1.00 0.00 C ATOM 658 CD2 PHE A 42 39.277 -16.212 -4.721 1.00 0.00 C ATOM 659 CE1 PHE A 42 41.932 -16.980 -4.936 1.00 0.00 C ATOM 660 CE2 PHE A 42 39.602 -17.431 -5.300 1.00 0.00 C ATOM 661 CZ PHE A 42 40.931 -17.813 -5.414 1.00 0.00 C ATOM 0 H PHE A 42 39.514 -11.145 -4.493 1.00 0.00 H new ATOM 0 HA PHE A 42 41.744 -12.964 -3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 42 40.105 -14.039 -2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 42 38.849 -13.844 -3.798 1.00 0.00 H new ATOM 0 HD1 PHE A 42 42.384 -15.123 -3.975 1.00 0.00 H new ATOM 0 HD2 PHE A 42 38.241 -15.921 -4.633 1.00 0.00 H new ATOM 0 HE1 PHE A 42 42.967 -17.277 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 42 38.820 -18.082 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 42 41.186 -18.757 -5.874 1.00 0.00 H new ATOM 671 N ASP A 43 39.416 -12.931 -6.354 1.00 0.00 N ATOM 672 CA ASP A 43 39.169 -13.122 -7.785 1.00 0.00 C ATOM 673 C ASP A 43 39.947 -12.093 -8.638 1.00 0.00 C ATOM 674 O ASP A 43 40.587 -12.429 -9.624 1.00 0.00 O ATOM 675 CB ASP A 43 37.654 -12.999 -8.054 1.00 0.00 C ATOM 676 CG ASP A 43 37.203 -13.846 -9.263 1.00 0.00 C ATOM 677 OD1 ASP A 43 37.855 -13.793 -10.304 1.00 0.00 O ATOM 678 OD2 ASP A 43 36.201 -14.554 -9.147 1.00 0.00 O ATOM 0 H ASP A 43 38.569 -12.826 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 43 39.520 -14.114 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 43 37.103 -13.313 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 37.403 -11.953 -8.232 1.00 0.00 H new ATOM 683 N ASP A 44 39.849 -10.833 -8.156 1.00 0.00 N ATOM 684 CA ASP A 44 40.550 -9.707 -8.759 1.00 0.00 C ATOM 685 C ASP A 44 40.702 -8.611 -7.689 1.00 0.00 C ATOM 686 O ASP A 44 39.747 -8.273 -6.998 1.00 0.00 O ATOM 687 CB ASP A 44 39.797 -9.214 -10.014 1.00 0.00 C ATOM 688 CG ASP A 44 38.389 -8.650 -9.715 1.00 0.00 C ATOM 689 OD1 ASP A 44 37.496 -9.435 -9.393 1.00 0.00 O ATOM 690 OD2 ASP A 44 38.200 -7.438 -9.809 1.00 0.00 O ATOM 0 H ASP A 44 39.284 -10.583 -7.345 1.00 0.00 H new ATOM 0 HA ASP A 44 41.543 -10.002 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 44 40.391 -8.442 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 44 39.705 -10.040 -10.719 1.00 0.00 H new ATOM 695 N GLU A 45 41.950 -8.094 -7.594 1.00 0.00 N ATOM 696 CA GLU A 45 42.291 -6.989 -6.696 1.00 0.00 C ATOM 697 C GLU A 45 42.047 -7.381 -5.219 1.00 0.00 C ATOM 698 O GLU A 45 41.244 -6.730 -4.558 1.00 0.00 O ATOM 699 CB GLU A 45 41.558 -5.696 -7.130 1.00 0.00 C ATOM 700 CG GLU A 45 42.165 -5.074 -8.400 1.00 0.00 C ATOM 701 CD GLU A 45 41.182 -4.144 -9.143 1.00 0.00 C ATOM 702 OE1 GLU A 45 40.040 -4.546 -9.358 1.00 0.00 O ATOM 703 OE2 GLU A 45 41.571 -3.033 -9.510 1.00 0.00 O ATOM 704 OXT GLU A 45 42.667 -8.338 -4.748 1.00 0.00 O ATOM 0 H GLU A 45 42.740 -8.437 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 45 43.357 -6.776 -6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 45 40.506 -5.920 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 41.598 -4.969 -6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 43.058 -4.510 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 42.482 -5.871 -9.073 1.00 0.00 H new TER 711 GLU A 45