USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 295 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 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= -0.434 K(o=-0.43,f=-1.9) USER MOD Single : A 23 TYR OH : rot -114:sc= 0.918 USER MOD Single : A 26 CYS SG : rot 74:sc= -3.97! USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0.0755 (180deg=-0.0337!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 31 ASN : amide:sc=-0.00368 X(o=-0.0037,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.155 K(o=-0.15,f=-0.97) USER MOD Single : A 39 SER OG : rot -25:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.211 -1.811 -9.130 1.00 0.00 N ATOM 36 CA LYS A 3 31.105 -0.356 -9.226 1.00 0.00 C ATOM 37 C LYS A 3 29.971 0.262 -8.384 1.00 0.00 C ATOM 38 O LYS A 3 30.011 1.442 -8.063 1.00 0.00 O ATOM 39 CB LYS A 3 31.029 0.044 -10.693 1.00 0.00 C ATOM 40 CG LYS A 3 29.858 -0.585 -11.458 1.00 0.00 C ATOM 41 CD LYS A 3 29.975 -0.321 -12.962 1.00 0.00 C ATOM 42 CE LYS A 3 29.801 1.160 -13.336 1.00 0.00 C ATOM 43 NZ LYS A 3 30.630 1.524 -14.479 1.00 0.00 N ATOM 0 HA LYS A 3 32.007 0.064 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.949 1.129 -10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.961 -0.237 -11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.836 -1.659 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 3 28.917 -0.179 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.950 -0.664 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.224 -0.912 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.754 1.357 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 3 30.062 1.785 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 30.488 2.529 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 31.631 1.358 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 30.363 0.944 -15.300 1.00 0.00 H new ATOM 57 N GLU A 4 28.989 -0.592 -8.032 1.00 0.00 N ATOM 58 CA GLU A 4 27.871 -0.159 -7.202 1.00 0.00 C ATOM 59 C GLU A 4 28.339 0.168 -5.776 1.00 0.00 C ATOM 60 O GLU A 4 27.988 1.183 -5.198 1.00 0.00 O ATOM 61 CB GLU A 4 26.821 -1.289 -7.130 1.00 0.00 C ATOM 62 CG GLU A 4 25.467 -0.909 -7.734 1.00 0.00 C ATOM 63 CD GLU A 4 24.839 0.393 -7.175 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.319 0.930 -6.175 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.865 0.864 -7.757 1.00 0.00 O ATOM 0 H GLU A 4 28.956 -1.573 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 4 27.441 0.738 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.207 -2.166 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.677 -1.574 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.585 -0.803 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.770 -1.730 -7.569 1.00 0.00 H new ATOM 72 N ALA A 5 29.158 -0.769 -5.251 1.00 0.00 N ATOM 73 CA ALA A 5 29.691 -0.507 -3.925 1.00 0.00 C ATOM 74 C ALA A 5 30.723 0.620 -3.972 1.00 0.00 C ATOM 75 O ALA A 5 31.028 1.185 -2.930 1.00 0.00 O ATOM 76 CB ALA A 5 30.282 -1.765 -3.292 1.00 0.00 C ATOM 0 H ALA A 5 29.440 -1.644 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 5 28.861 -0.189 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.670 -1.526 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.507 -2.527 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.092 -2.141 -3.917 1.00 0.00 H new ATOM 82 N ILE A 6 31.252 0.958 -5.160 1.00 0.00 N ATOM 83 CA ILE A 6 32.350 1.931 -5.203 1.00 0.00 C ATOM 84 C ILE A 6 31.859 3.349 -4.890 1.00 0.00 C ATOM 85 O ILE A 6 32.572 4.130 -4.276 1.00 0.00 O ATOM 86 CB ILE A 6 33.137 1.860 -6.522 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.564 0.413 -6.783 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.371 2.773 -6.547 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.402 0.250 -8.053 1.00 0.00 C ATOM 0 H ILE A 6 30.953 0.591 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 6 33.052 1.659 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 6 32.469 2.216 -7.307 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.136 0.051 -5.929 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.675 -0.213 -6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.879 2.673 -7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.060 3.808 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.051 2.487 -5.745 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.671 -0.799 -8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.824 0.582 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.308 0.850 -7.970 1.00 0.00 H new ATOM 101 N GLU A 7 30.614 3.631 -5.311 1.00 0.00 N ATOM 102 CA GLU A 7 30.024 4.924 -4.989 1.00 0.00 C ATOM 103 C GLU A 7 29.513 4.950 -3.536 1.00 0.00 C ATOM 104 O GLU A 7 29.285 6.010 -2.980 1.00 0.00 O ATOM 105 CB GLU A 7 28.895 5.241 -5.980 1.00 0.00 C ATOM 106 CG GLU A 7 27.745 4.221 -5.964 1.00 0.00 C ATOM 107 CD GLU A 7 26.544 4.726 -6.784 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.622 4.720 -8.013 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.542 5.119 -6.186 1.00 0.00 O ATOM 0 H GLU A 7 30.022 3.002 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 7 30.791 5.693 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.494 6.229 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.311 5.288 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.092 3.271 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.435 4.035 -4.936 1.00 0.00 H new ATOM 116 N ARG A 8 29.350 3.729 -2.972 1.00 0.00 N ATOM 117 CA ARG A 8 28.816 3.591 -1.622 1.00 0.00 C ATOM 118 C ARG A 8 29.927 3.793 -0.592 1.00 0.00 C ATOM 119 O ARG A 8 29.822 4.634 0.283 1.00 0.00 O ATOM 120 CB ARG A 8 28.144 2.212 -1.468 1.00 0.00 C ATOM 121 CG ARG A 8 26.713 2.311 -0.913 1.00 0.00 C ATOM 122 CD ARG A 8 25.671 1.671 -1.833 1.00 0.00 C ATOM 123 NE ARG A 8 25.474 0.272 -1.474 1.00 0.00 N ATOM 124 CZ ARG A 8 25.017 -0.665 -2.333 1.00 0.00 C ATOM 125 NH1 ARG A 8 24.812 -0.388 -3.618 1.00 0.00 N ATOM 126 NH2 ARG A 8 24.764 -1.886 -1.878 1.00 0.00 N ATOM 0 H ARG A 8 29.580 2.848 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 8 28.061 4.358 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.120 1.713 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.745 1.591 -0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.673 1.828 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.460 3.360 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 8 24.727 2.210 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 8 25.997 1.745 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 8 25.694 -0.016 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 8 25.001 0.549 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 8 24.466 -1.113 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.915 -2.105 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 8 24.418 -2.605 -2.513 1.00 0.00 H new ATOM 140 N LEU A 9 30.983 2.980 -0.803 1.00 0.00 N ATOM 141 CA LEU A 9 32.262 2.990 -0.107 1.00 0.00 C ATOM 142 C LEU A 9 32.844 4.422 -0.160 1.00 0.00 C ATOM 143 O LEU A 9 33.192 4.993 0.865 1.00 0.00 O ATOM 144 CB LEU A 9 33.186 1.939 -0.738 1.00 0.00 C ATOM 145 CG LEU A 9 32.628 0.500 -0.720 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.220 -0.283 -1.896 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.867 -0.232 0.597 1.00 0.00 C ATOM 0 H LEU A 9 30.950 2.252 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 9 32.148 2.723 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.387 2.224 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.141 1.951 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 9 31.545 0.570 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.830 -1.301 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.946 0.204 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.306 -0.310 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.448 -1.236 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.938 -0.296 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.386 0.313 1.409 1.00 0.00 H new ATOM 159 N LYS A 10 32.871 5.000 -1.379 1.00 0.00 N ATOM 160 CA LYS A 10 33.298 6.403 -1.493 1.00 0.00 C ATOM 161 C LYS A 10 32.352 7.384 -0.770 1.00 0.00 C ATOM 162 O LYS A 10 32.796 8.400 -0.261 1.00 0.00 O ATOM 163 CB LYS A 10 33.372 6.858 -2.954 1.00 0.00 C ATOM 164 CG LYS A 10 34.646 6.412 -3.658 1.00 0.00 C ATOM 165 CD LYS A 10 34.929 7.262 -4.896 1.00 0.00 C ATOM 166 CE LYS A 10 33.691 7.484 -5.765 1.00 0.00 C ATOM 167 NZ LYS A 10 34.064 7.886 -7.111 1.00 0.00 N ATOM 0 H LYS A 10 32.616 4.543 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 10 34.282 6.427 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.510 6.466 -3.494 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.305 7.945 -2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.487 6.481 -2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.556 5.365 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.325 8.228 -4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.703 6.779 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.102 6.568 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.059 8.250 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.206 8.030 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.606 8.773 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.647 7.143 -7.546 1.00 0.00 H new ATOM 181 N ALA A 11 31.043 7.043 -0.777 1.00 0.00 N ATOM 182 CA ALA A 11 30.045 7.942 -0.190 1.00 0.00 C ATOM 183 C ALA A 11 30.204 8.093 1.337 1.00 0.00 C ATOM 184 O ALA A 11 29.718 9.056 1.912 1.00 0.00 O ATOM 185 CB ALA A 11 28.619 7.483 -0.521 1.00 0.00 C ATOM 0 H ALA A 11 30.670 6.179 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 11 30.220 8.920 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.902 8.170 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.482 7.472 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.458 6.480 -0.125 1.00 0.00 H new ATOM 191 N LEU A 12 30.922 7.123 1.950 1.00 0.00 N ATOM 192 CA LEU A 12 31.221 7.200 3.376 1.00 0.00 C ATOM 193 C LEU A 12 32.383 8.200 3.674 1.00 0.00 C ATOM 194 O LEU A 12 32.812 8.316 4.812 1.00 0.00 O ATOM 195 CB LEU A 12 31.597 5.797 3.887 1.00 0.00 C ATOM 196 CG LEU A 12 30.484 4.723 3.954 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.641 3.698 2.830 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.524 3.951 5.277 1.00 0.00 C ATOM 0 H LEU A 12 31.293 6.298 1.479 1.00 0.00 H new ATOM 0 HA LEU A 12 30.333 7.567 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.394 5.412 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 12 32.015 5.907 4.888 1.00 0.00 H new ATOM 0 HG LEU A 12 29.539 5.258 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.846 2.955 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.581 4.203 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.608 3.204 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.728 3.206 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.488 3.453 5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.384 4.644 6.107 1.00 0.00 H new ATOM 210 N GLY A 13 32.853 8.909 2.615 1.00 0.00 N ATOM 211 CA GLY A 13 33.885 9.941 2.748 1.00 0.00 C ATOM 212 C GLY A 13 35.290 9.419 2.409 1.00 0.00 C ATOM 213 O GLY A 13 36.283 9.912 2.925 1.00 0.00 O ATOM 0 H GLY A 13 32.524 8.775 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.644 10.777 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.880 10.325 3.768 1.00 0.00 H new ATOM 217 N PHE A 14 35.298 8.382 1.533 1.00 0.00 N ATOM 218 CA PHE A 14 36.526 7.662 1.191 1.00 0.00 C ATOM 219 C PHE A 14 36.928 8.029 -0.253 1.00 0.00 C ATOM 220 O PHE A 14 36.742 9.169 -0.674 1.00 0.00 O ATOM 221 CB PHE A 14 36.291 6.147 1.410 1.00 0.00 C ATOM 222 CG PHE A 14 35.786 5.801 2.793 1.00 0.00 C ATOM 223 CD1 PHE A 14 36.030 6.624 3.898 1.00 0.00 C ATOM 224 CD2 PHE A 14 35.011 4.661 2.973 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.420 6.367 5.114 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.406 4.400 4.194 1.00 0.00 C ATOM 227 CZ PHE A 14 34.587 5.279 5.257 1.00 0.00 C ATOM 0 H PHE A 14 34.464 8.036 1.058 1.00 0.00 H new ATOM 0 HA PHE A 14 37.361 7.946 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.573 5.790 0.671 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.225 5.614 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.699 7.466 3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.878 3.971 2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.598 7.022 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.796 3.517 4.319 1.00 0.00 H new ATOM 0 HZ PHE A 14 34.075 5.109 6.193 1.00 0.00 H new ATOM 237 N GLU A 15 37.492 7.032 -0.971 1.00 0.00 N ATOM 238 CA GLU A 15 38.014 7.240 -2.324 1.00 0.00 C ATOM 239 C GLU A 15 38.165 5.885 -3.010 1.00 0.00 C ATOM 240 O GLU A 15 38.555 4.906 -2.383 1.00 0.00 O ATOM 241 CB GLU A 15 39.377 7.958 -2.283 1.00 0.00 C ATOM 242 CG GLU A 15 39.722 8.695 -3.585 1.00 0.00 C ATOM 243 CD GLU A 15 40.218 10.126 -3.305 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.410 10.304 -3.055 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.401 11.045 -3.339 1.00 0.00 O ATOM 0 H GLU A 15 37.593 6.077 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 15 37.317 7.867 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.377 8.672 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.157 7.227 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.489 8.141 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.843 8.732 -4.228 1.00 0.00 H new ATOM 252 N GLU A 16 37.840 5.902 -4.314 1.00 0.00 N ATOM 253 CA GLU A 16 37.758 4.754 -5.224 1.00 0.00 C ATOM 254 C GLU A 16 38.961 3.769 -5.127 1.00 0.00 C ATOM 255 O GLU A 16 38.834 2.596 -5.447 1.00 0.00 O ATOM 256 CB GLU A 16 37.510 5.306 -6.644 1.00 0.00 C ATOM 257 CG GLU A 16 38.333 4.738 -7.816 1.00 0.00 C ATOM 258 CD GLU A 16 37.849 3.384 -8.369 1.00 0.00 C ATOM 259 OE1 GLU A 16 37.127 2.672 -7.680 1.00 0.00 O ATOM 260 OE2 GLU A 16 38.201 3.058 -9.500 1.00 0.00 O ATOM 0 H GLU A 16 37.613 6.776 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 16 36.923 4.119 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.456 5.155 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.679 6.382 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.328 5.466 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.368 4.630 -7.492 1.00 0.00 H new ATOM 267 N SER A 17 40.115 4.297 -4.670 1.00 0.00 N ATOM 268 CA SER A 17 41.314 3.480 -4.527 1.00 0.00 C ATOM 269 C SER A 17 41.322 2.723 -3.188 1.00 0.00 C ATOM 270 O SER A 17 41.532 1.523 -3.170 1.00 0.00 O ATOM 271 CB SER A 17 42.537 4.401 -4.626 1.00 0.00 C ATOM 272 OG SER A 17 43.122 4.395 -5.913 1.00 0.00 O ATOM 0 H SER A 17 40.231 5.274 -4.400 1.00 0.00 H new ATOM 0 HA SER A 17 41.336 2.732 -5.319 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.242 5.419 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.281 4.091 -3.892 1.00 0.00 H new ATOM 0 HG SER A 17 43.895 4.998 -5.924 1.00 0.00 H new ATOM 278 N LEU A 18 41.082 3.476 -2.081 1.00 0.00 N ATOM 279 CA LEU A 18 41.006 2.808 -0.773 1.00 0.00 C ATOM 280 C LEU A 18 39.796 1.880 -0.716 1.00 0.00 C ATOM 281 O LEU A 18 39.767 0.948 0.093 1.00 0.00 O ATOM 282 CB LEU A 18 41.093 3.790 0.419 1.00 0.00 C ATOM 283 CG LEU A 18 39.814 4.518 0.901 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.496 4.277 2.384 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.946 6.028 0.711 1.00 0.00 C ATOM 0 H LEU A 18 40.946 4.487 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 18 41.894 2.185 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.495 3.238 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.826 4.554 0.160 1.00 0.00 H new ATOM 0 HG LEU A 18 39.008 4.105 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.588 4.816 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.349 3.211 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.325 4.633 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.036 6.519 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.797 6.394 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.100 6.250 -0.345 1.00 0.00 H new ATOM 297 N VAL A 19 38.847 2.170 -1.614 1.00 0.00 N ATOM 298 CA VAL A 19 37.568 1.506 -1.791 1.00 0.00 C ATOM 299 C VAL A 19 37.742 0.152 -2.469 1.00 0.00 C ATOM 300 O VAL A 19 37.378 -0.870 -1.917 1.00 0.00 O ATOM 301 CB VAL A 19 36.688 2.467 -2.598 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.601 1.778 -3.416 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.136 3.611 -1.731 1.00 0.00 C ATOM 0 H VAL A 19 38.971 2.932 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 19 37.094 1.285 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 19 37.352 2.914 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.023 2.527 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.061 1.091 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.941 1.223 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.518 4.267 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.534 3.197 -0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.964 4.181 -1.311 1.00 0.00 H new ATOM 313 N ILE A 20 38.300 0.224 -3.692 1.00 0.00 N ATOM 314 CA ILE A 20 38.507 -0.972 -4.501 1.00 0.00 C ATOM 315 C ILE A 20 39.401 -1.963 -3.779 1.00 0.00 C ATOM 316 O ILE A 20 39.086 -3.137 -3.720 1.00 0.00 O ATOM 317 CB ILE A 20 39.085 -0.571 -5.868 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.952 -0.112 -6.788 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.954 -1.640 -6.562 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.026 -1.254 -7.221 1.00 0.00 C ATOM 0 H ILE A 20 38.610 1.092 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 20 37.551 -1.469 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 20 39.777 0.247 -5.665 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.364 0.650 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.380 0.356 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.311 -1.255 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.807 -1.884 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.360 -2.538 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.244 -0.862 -7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.603 -2.006 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.571 -1.708 -6.340 1.00 0.00 H new ATOM 332 N GLN A 21 40.503 -1.418 -3.237 1.00 0.00 N ATOM 333 CA GLN A 21 41.460 -2.242 -2.512 1.00 0.00 C ATOM 334 C GLN A 21 40.868 -2.759 -1.180 1.00 0.00 C ATOM 335 O GLN A 21 41.227 -3.833 -0.726 1.00 0.00 O ATOM 336 CB GLN A 21 42.748 -1.426 -2.307 1.00 0.00 C ATOM 337 CG GLN A 21 44.009 -2.283 -2.097 1.00 0.00 C ATOM 338 CD GLN A 21 44.217 -2.713 -0.638 1.00 0.00 C ATOM 339 OE1 GLN A 21 44.069 -3.861 -0.275 1.00 0.00 O ATOM 340 NE2 GLN A 21 44.602 -1.698 0.164 1.00 0.00 N ATOM 0 H GLN A 21 40.743 -0.428 -3.290 1.00 0.00 H new ATOM 0 HA GLN A 21 41.697 -3.133 -3.093 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.899 -0.783 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.618 -0.773 -1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.944 -3.172 -2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 21 44.881 -1.721 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.704 -0.757 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 21 44.791 -1.871 1.151 1.00 0.00 H new ATOM 349 N ALA A 22 39.931 -1.958 -0.612 1.00 0.00 N ATOM 350 CA ALA A 22 39.208 -2.366 0.598 1.00 0.00 C ATOM 351 C ALA A 22 38.092 -3.362 0.314 1.00 0.00 C ATOM 352 O ALA A 22 37.594 -3.989 1.236 1.00 0.00 O ATOM 353 CB ALA A 22 38.473 -1.191 1.252 1.00 0.00 C ATOM 0 H ALA A 22 39.668 -1.041 -0.973 1.00 0.00 H new ATOM 0 HA ALA A 22 39.988 -2.789 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.952 -1.539 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.193 -0.421 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.751 -0.776 0.548 1.00 0.00 H new ATOM 359 N TYR A 23 37.701 -3.436 -0.972 1.00 0.00 N ATOM 360 CA TYR A 23 36.611 -4.321 -1.359 1.00 0.00 C ATOM 361 C TYR A 23 37.195 -5.601 -1.956 1.00 0.00 C ATOM 362 O TYR A 23 36.555 -6.637 -1.913 1.00 0.00 O ATOM 363 CB TYR A 23 35.661 -3.607 -2.339 1.00 0.00 C ATOM 364 CG TYR A 23 34.215 -3.946 -2.082 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.498 -3.216 -1.152 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.566 -4.968 -2.761 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.146 -3.453 -0.931 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.222 -5.228 -2.543 1.00 0.00 C ATOM 369 CZ TYR A 23 31.500 -4.443 -1.648 1.00 0.00 C ATOM 370 OH TYR A 23 30.142 -4.615 -1.452 1.00 0.00 O ATOM 0 H TYR A 23 38.118 -2.904 -1.736 1.00 0.00 H new ATOM 0 HA TYR A 23 36.020 -4.590 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.800 -2.529 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.921 -3.884 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.999 -2.445 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.116 -5.569 -3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.604 -2.867 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.736 -6.038 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 23 29.980 -5.485 -1.031 1.00 0.00 H new ATOM 380 N PHE A 24 38.423 -5.496 -2.501 1.00 0.00 N ATOM 381 CA PHE A 24 39.050 -6.617 -3.200 1.00 0.00 C ATOM 382 C PHE A 24 39.872 -7.459 -2.210 1.00 0.00 C ATOM 383 O PHE A 24 39.909 -8.673 -2.298 1.00 0.00 O ATOM 384 CB PHE A 24 39.980 -6.103 -4.320 1.00 0.00 C ATOM 385 CG PHE A 24 39.460 -6.391 -5.703 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.642 -7.652 -6.256 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.813 -5.412 -6.446 1.00 0.00 C ATOM 388 CE1 PHE A 24 39.217 -7.921 -7.550 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.392 -5.672 -7.745 1.00 0.00 C ATOM 390 CZ PHE A 24 38.605 -6.926 -8.298 1.00 0.00 C ATOM 0 H PHE A 24 38.991 -4.649 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 24 38.264 -7.230 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.114 -5.027 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.963 -6.561 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 24 40.117 -8.429 -5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.635 -4.440 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.363 -8.904 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 24 37.901 -4.901 -8.321 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.294 -7.128 -9.312 1.00 0.00 H new ATOM 400 N ALA A 25 40.521 -6.725 -1.273 1.00 0.00 N ATOM 401 CA ALA A 25 41.287 -7.361 -0.204 1.00 0.00 C ATOM 402 C ALA A 25 40.350 -8.032 0.813 1.00 0.00 C ATOM 403 O ALA A 25 40.722 -8.986 1.478 1.00 0.00 O ATOM 404 CB ALA A 25 42.152 -6.312 0.498 1.00 0.00 C ATOM 0 H ALA A 25 40.522 -5.705 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 25 41.925 -8.129 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.724 -6.786 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.837 -5.864 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.513 -5.537 0.921 1.00 0.00 H new ATOM 410 N CYS A 26 39.114 -7.488 0.858 1.00 0.00 N ATOM 411 CA CYS A 26 38.047 -8.076 1.659 1.00 0.00 C ATOM 412 C CYS A 26 37.314 -9.217 0.919 1.00 0.00 C ATOM 413 O CYS A 26 36.290 -9.685 1.394 1.00 0.00 O ATOM 414 CB CYS A 26 37.047 -6.972 2.022 1.00 0.00 C ATOM 415 SG CYS A 26 37.463 -6.236 3.626 1.00 0.00 S ATOM 0 H CYS A 26 38.843 -6.647 0.348 1.00 0.00 H new ATOM 0 HA CYS A 26 38.493 -8.511 2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.051 -6.202 1.250 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.038 -7.384 2.056 1.00 0.00 H new ATOM 0 HG CYS A 26 38.509 -5.475 3.496 1.00 0.00 H new ATOM 421 N GLU A 27 37.842 -9.644 -0.254 1.00 0.00 N ATOM 422 CA GLU A 27 37.152 -10.687 -1.025 1.00 0.00 C ATOM 423 C GLU A 27 35.688 -10.285 -1.331 1.00 0.00 C ATOM 424 O GLU A 27 34.737 -10.959 -0.972 1.00 0.00 O ATOM 425 CB GLU A 27 37.305 -12.043 -0.301 1.00 0.00 C ATOM 426 CG GLU A 27 36.437 -13.210 -0.826 1.00 0.00 C ATOM 427 CD GLU A 27 35.282 -13.576 0.147 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.566 -13.958 1.284 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.116 -13.481 -0.235 1.00 0.00 O ATOM 0 H GLU A 27 38.707 -9.295 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 27 37.616 -10.800 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.351 -12.344 -0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.074 -11.894 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.019 -12.940 -1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.067 -14.086 -0.983 1.00 0.00 H new ATOM 436 N LYS A 28 35.601 -9.125 -2.009 1.00 0.00 N ATOM 437 CA LYS A 28 34.377 -8.537 -2.553 1.00 0.00 C ATOM 438 C LYS A 28 33.118 -8.805 -1.696 1.00 0.00 C ATOM 439 O LYS A 28 32.161 -9.419 -2.151 1.00 0.00 O ATOM 440 CB LYS A 28 34.222 -9.039 -3.995 1.00 0.00 C ATOM 441 CG LYS A 28 35.492 -8.878 -4.850 1.00 0.00 C ATOM 442 CD LYS A 28 35.789 -7.437 -5.296 1.00 0.00 C ATOM 443 CE LYS A 28 35.348 -7.141 -6.730 1.00 0.00 C ATOM 444 NZ LYS A 28 35.902 -8.137 -7.641 1.00 0.00 N ATOM 0 H LYS A 28 36.423 -8.551 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 28 34.471 -7.451 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.940 -10.092 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.404 -8.499 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.345 -9.251 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.399 -9.506 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.288 -6.745 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.859 -7.251 -5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.260 -7.145 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.680 -6.145 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.697 -7.862 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.932 -8.196 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.473 -9.064 -7.444 1.00 0.00 H new ATOM 458 N ASN A 29 33.200 -8.339 -0.425 1.00 0.00 N ATOM 459 CA ASN A 29 32.188 -8.686 0.576 1.00 0.00 C ATOM 460 C ASN A 29 31.279 -7.465 0.800 1.00 0.00 C ATOM 461 O ASN A 29 30.998 -6.762 -0.165 1.00 0.00 O ATOM 462 CB ASN A 29 32.898 -9.216 1.840 1.00 0.00 C ATOM 463 CG ASN A 29 32.068 -10.318 2.522 1.00 0.00 C ATOM 464 OD1 ASN A 29 30.860 -10.240 2.648 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.815 -11.376 2.911 1.00 0.00 N ATOM 0 H ASN A 29 33.946 -7.733 -0.083 1.00 0.00 H new ATOM 0 HA ASN A 29 31.532 -9.491 0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.879 -9.609 1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.063 -8.396 2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.368 -12.184 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.825 -11.366 2.771 1.00 0.00 H new ATOM 472 N GLU A 30 30.829 -7.218 2.051 1.00 0.00 N ATOM 473 CA GLU A 30 29.989 -6.041 2.311 1.00 0.00 C ATOM 474 C GLU A 30 30.373 -5.403 3.647 1.00 0.00 C ATOM 475 O GLU A 30 31.019 -4.373 3.697 1.00 0.00 O ATOM 476 CB GLU A 30 28.490 -6.391 2.294 1.00 0.00 C ATOM 477 CG GLU A 30 27.956 -6.627 0.874 1.00 0.00 C ATOM 478 CD GLU A 30 26.415 -6.669 0.788 1.00 0.00 C ATOM 479 OE1 GLU A 30 25.745 -6.088 1.643 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.899 -7.280 -0.148 1.00 0.00 O ATOM 0 H GLU A 30 31.027 -7.798 2.866 1.00 0.00 H new ATOM 0 HA GLU A 30 30.166 -5.325 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.322 -7.285 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.926 -5.583 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.326 -5.837 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.358 -7.567 0.496 1.00 0.00 H new ATOM 487 N ASN A 31 29.922 -6.093 4.715 1.00 0.00 N ATOM 488 CA ASN A 31 30.229 -5.673 6.079 1.00 0.00 C ATOM 489 C ASN A 31 31.742 -5.667 6.326 1.00 0.00 C ATOM 490 O ASN A 31 32.216 -4.972 7.211 1.00 0.00 O ATOM 491 CB ASN A 31 29.554 -6.653 7.064 1.00 0.00 C ATOM 492 CG ASN A 31 28.578 -5.919 7.993 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.960 -5.145 8.847 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.285 -6.229 7.750 1.00 0.00 N ATOM 0 H ASN A 31 29.350 -6.935 4.651 1.00 0.00 H new ATOM 0 HA ASN A 31 29.854 -4.660 6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.021 -7.423 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.316 -7.158 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.545 -5.800 8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.050 -6.892 7.011 1.00 0.00 H new ATOM 501 N LEU A 32 32.451 -6.481 5.509 1.00 0.00 N ATOM 502 CA LEU A 32 33.893 -6.628 5.676 1.00 0.00 C ATOM 503 C LEU A 32 34.608 -5.390 5.100 1.00 0.00 C ATOM 504 O LEU A 32 35.499 -4.832 5.711 1.00 0.00 O ATOM 505 CB LEU A 32 34.371 -7.894 4.935 1.00 0.00 C ATOM 506 CG LEU A 32 35.527 -8.683 5.601 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.399 -9.384 4.552 1.00 0.00 C ATOM 508 CD2 LEU A 32 36.387 -7.877 6.583 1.00 0.00 C ATOM 0 H LEU A 32 32.049 -7.029 4.749 1.00 0.00 H new ATOM 0 HA LEU A 32 34.128 -6.719 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.520 -8.565 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.687 -7.605 3.932 1.00 0.00 H new ATOM 0 HG LEU A 32 35.029 -9.433 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.201 -9.929 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.788 -10.081 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.828 -8.641 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 37.167 -8.518 6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 36.845 -7.037 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.761 -7.502 7.393 1.00 0.00 H new ATOM 520 N ALA A 33 34.142 -5.017 3.882 1.00 0.00 N ATOM 521 CA ALA A 33 34.707 -3.871 3.181 1.00 0.00 C ATOM 522 C ALA A 33 34.520 -2.576 3.965 1.00 0.00 C ATOM 523 O ALA A 33 35.452 -1.814 4.138 1.00 0.00 O ATOM 524 CB ALA A 33 34.041 -3.695 1.829 1.00 0.00 C ATOM 0 H ALA A 33 33.390 -5.493 3.384 1.00 0.00 H new ATOM 0 HA ALA A 33 35.772 -4.071 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.475 -2.835 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.197 -4.590 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.972 -3.533 1.968 1.00 0.00 H new ATOM 530 N ALA A 34 33.268 -2.396 4.441 1.00 0.00 N ATOM 531 CA ALA A 34 32.984 -1.265 5.318 1.00 0.00 C ATOM 532 C ALA A 34 33.923 -1.301 6.529 1.00 0.00 C ATOM 533 O ALA A 34 34.578 -0.316 6.845 1.00 0.00 O ATOM 534 CB ALA A 34 31.520 -1.292 5.769 1.00 0.00 C ATOM 0 H ALA A 34 32.472 -3.001 4.236 1.00 0.00 H new ATOM 0 HA ALA A 34 33.152 -0.338 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.325 -0.442 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.869 -1.236 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.323 -2.218 6.310 1.00 0.00 H new ATOM 540 N ASN A 35 34.015 -2.486 7.157 1.00 0.00 N ATOM 541 CA ASN A 35 34.903 -2.596 8.317 1.00 0.00 C ATOM 542 C ASN A 35 36.363 -2.230 7.985 1.00 0.00 C ATOM 543 O ASN A 35 37.053 -1.672 8.825 1.00 0.00 O ATOM 544 CB ASN A 35 34.867 -4.016 8.908 1.00 0.00 C ATOM 545 CG ASN A 35 34.815 -3.983 10.446 1.00 0.00 C ATOM 546 OD1 ASN A 35 34.198 -3.134 11.058 1.00 0.00 O ATOM 547 ND2 ASN A 35 35.487 -5.004 11.018 1.00 0.00 N ATOM 0 H ASN A 35 33.514 -3.336 6.897 1.00 0.00 H new ATOM 0 HA ASN A 35 34.530 -1.879 9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 35 33.997 -4.549 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.749 -4.569 8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 35 35.499 -5.101 12.033 1.00 0.00 H new ATOM 0 HD22 ASN A 35 35.982 -5.679 10.435 1.00 0.00 H new ATOM 554 N PHE A 36 36.784 -2.548 6.740 1.00 0.00 N ATOM 555 CA PHE A 36 38.144 -2.237 6.289 1.00 0.00 C ATOM 556 C PHE A 36 38.356 -0.708 6.284 1.00 0.00 C ATOM 557 O PHE A 36 39.307 -0.200 6.861 1.00 0.00 O ATOM 558 CB PHE A 36 38.374 -2.863 4.895 1.00 0.00 C ATOM 559 CG PHE A 36 39.752 -2.656 4.298 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.149 -1.402 3.843 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.629 -3.727 4.127 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.371 -1.218 3.213 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.863 -3.544 3.510 1.00 0.00 C ATOM 564 CZ PHE A 36 42.233 -2.290 3.046 1.00 0.00 C ATOM 0 H PHE A 36 36.204 -3.014 6.043 1.00 0.00 H new ATOM 0 HA PHE A 36 38.878 -2.664 6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.185 -3.934 4.963 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.635 -2.452 4.207 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.493 -0.556 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.347 -4.709 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.651 -0.239 2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.535 -4.381 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.186 -2.150 2.558 1.00 0.00 H new ATOM 574 N LEU A 37 37.416 -0.031 5.583 1.00 0.00 N ATOM 575 CA LEU A 37 37.553 1.388 5.281 1.00 0.00 C ATOM 576 C LEU A 37 37.397 2.274 6.540 1.00 0.00 C ATOM 577 O LEU A 37 37.979 3.348 6.633 1.00 0.00 O ATOM 578 CB LEU A 37 36.527 1.810 4.231 1.00 0.00 C ATOM 579 CG LEU A 37 36.705 1.166 2.844 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.436 0.441 2.399 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.119 2.180 1.766 1.00 0.00 C ATOM 0 H LEU A 37 36.561 -0.456 5.223 1.00 0.00 H new ATOM 0 HA LEU A 37 38.561 1.533 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.531 1.567 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.570 2.893 4.119 1.00 0.00 H new ATOM 0 HG LEU A 37 37.514 0.444 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.596 -0.002 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.195 -0.344 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.611 1.151 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.230 1.669 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.354 2.951 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.068 2.639 2.044 1.00 0.00 H new ATOM 593 N LEU A 38 36.570 1.750 7.480 1.00 0.00 N ATOM 594 CA LEU A 38 36.219 2.479 8.698 1.00 0.00 C ATOM 595 C LEU A 38 37.286 2.218 9.789 1.00 0.00 C ATOM 596 O LEU A 38 37.514 3.032 10.672 1.00 0.00 O ATOM 597 CB LEU A 38 34.809 2.110 9.232 1.00 0.00 C ATOM 598 CG LEU A 38 33.605 2.096 8.248 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.385 2.872 8.762 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.938 2.590 6.844 1.00 0.00 C ATOM 0 H LEU A 38 36.141 0.827 7.407 1.00 0.00 H new ATOM 0 HA LEU A 38 36.195 3.539 8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.877 1.119 9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.569 2.808 10.034 1.00 0.00 H new ATOM 0 HG LEU A 38 33.355 1.037 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.584 2.820 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.044 2.434 9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.659 3.914 8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.044 2.548 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.296 3.618 6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.712 1.957 6.410 1.00 0.00 H new ATOM 612 N SER A 39 37.922 1.029 9.637 1.00 0.00 N ATOM 613 CA SER A 39 38.992 0.596 10.531 1.00 0.00 C ATOM 614 C SER A 39 40.326 1.261 10.193 1.00 0.00 C ATOM 615 O SER A 39 41.228 1.241 11.018 1.00 0.00 O ATOM 616 CB SER A 39 39.177 -0.930 10.472 1.00 0.00 C ATOM 617 OG SER A 39 40.225 -1.390 11.307 1.00 0.00 O ATOM 0 H SER A 39 37.702 0.362 8.898 1.00 0.00 H new ATOM 0 HA SER A 39 38.692 0.896 11.535 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.246 -1.416 10.765 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.382 -1.227 9.443 1.00 0.00 H new ATOM 0 HG SER A 39 40.874 -0.669 11.445 1.00 0.00 H new