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= -0.0359 K(o=-0.036,f=-0.61) USER MOD Single : A 23 TYR OH : rot -108:sc= 0.664 USER MOD Single : A 26 CYS SG : rot 80:sc= -3.3! USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0.372! (180deg=0.286!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-2.4) USER MOD Single : A 31 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.4!) USER MOD Single : A 35 ASN : amide:sc= -0.0392 K(o=-0.039,f=-0.95) USER MOD Single : A 39 SER OG : rot -30:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.254 -2.008 -8.980 1.00 0.00 N ATOM 36 CA LYS A 3 31.228 -0.556 -9.148 1.00 0.00 C ATOM 37 C LYS A 3 30.099 0.126 -8.336 1.00 0.00 C ATOM 38 O LYS A 3 30.166 1.311 -8.052 1.00 0.00 O ATOM 39 CB LYS A 3 31.147 -0.203 -10.632 1.00 0.00 C ATOM 40 CG LYS A 3 29.973 -0.868 -11.346 1.00 0.00 C ATOM 41 CD LYS A 3 29.784 -0.297 -12.752 1.00 0.00 C ATOM 42 CE LYS A 3 28.340 -0.431 -13.224 1.00 0.00 C ATOM 43 NZ LYS A 3 28.159 0.112 -14.564 1.00 0.00 N ATOM 0 HA LYS A 3 32.160 -0.163 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.062 0.879 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.075 -0.499 -11.120 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.143 -1.943 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.062 -0.722 -10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.074 0.754 -12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 3 30.444 -0.815 -13.447 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.050 -1.482 -13.215 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.680 0.088 -12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 27.165 0.003 -14.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 28.412 1.121 -14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 28.770 -0.400 -15.232 1.00 0.00 H new ATOM 57 N GLU A 4 29.080 -0.693 -7.980 1.00 0.00 N ATOM 58 CA GLU A 4 27.943 -0.234 -7.181 1.00 0.00 C ATOM 59 C GLU A 4 28.374 0.115 -5.754 1.00 0.00 C ATOM 60 O GLU A 4 27.917 1.078 -5.164 1.00 0.00 O ATOM 61 CB GLU A 4 26.875 -1.347 -7.114 1.00 0.00 C ATOM 62 CG GLU A 4 25.539 -0.954 -7.765 1.00 0.00 C ATOM 63 CD GLU A 4 25.269 -1.801 -9.019 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.849 -1.504 -10.064 1.00 0.00 O ATOM 65 OE2 GLU A 4 24.488 -2.747 -8.934 1.00 0.00 O ATOM 0 H GLU A 4 29.033 -1.678 -8.241 1.00 0.00 H new ATOM 0 HA GLU A 4 27.537 0.659 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.261 -2.240 -7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.699 -1.608 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.728 -1.088 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.557 0.103 -8.032 1.00 0.00 H new ATOM 72 N ALA A 5 29.287 -0.744 -5.254 1.00 0.00 N ATOM 73 CA ALA A 5 29.836 -0.472 -3.941 1.00 0.00 C ATOM 74 C ALA A 5 30.850 0.671 -4.014 1.00 0.00 C ATOM 75 O ALA A 5 31.190 1.232 -2.986 1.00 0.00 O ATOM 76 CB ALA A 5 30.462 -1.731 -3.345 1.00 0.00 C ATOM 0 H ALA A 5 29.634 -1.582 -5.720 1.00 0.00 H new ATOM 0 HA ALA A 5 29.025 -0.162 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.868 -1.504 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.702 -2.507 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.263 -2.082 -3.995 1.00 0.00 H new ATOM 82 N ILE A 6 31.330 1.019 -5.223 1.00 0.00 N ATOM 83 CA ILE A 6 32.418 1.998 -5.292 1.00 0.00 C ATOM 84 C ILE A 6 31.924 3.424 -5.029 1.00 0.00 C ATOM 85 O ILE A 6 32.672 4.252 -4.536 1.00 0.00 O ATOM 86 CB ILE A 6 33.225 1.879 -6.599 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.628 0.424 -6.871 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.445 2.811 -6.652 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.426 -0.275 -5.775 1.00 0.00 C ATOM 0 H ILE A 6 31.000 0.657 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 6 33.111 1.760 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 6 32.558 2.210 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.722 -0.153 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 6 34.214 0.398 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.966 2.674 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.116 3.846 -6.565 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.120 2.574 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.651 -1.296 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.357 0.265 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.841 -0.294 -4.855 1.00 0.00 H new ATOM 101 N GLU A 7 30.637 3.659 -5.340 1.00 0.00 N ATOM 102 CA GLU A 7 30.028 4.946 -5.014 1.00 0.00 C ATOM 103 C GLU A 7 29.481 4.959 -3.572 1.00 0.00 C ATOM 104 O GLU A 7 29.197 6.009 -3.025 1.00 0.00 O ATOM 105 CB GLU A 7 28.920 5.258 -6.031 1.00 0.00 C ATOM 106 CG GLU A 7 27.797 4.207 -6.054 1.00 0.00 C ATOM 107 CD GLU A 7 26.607 4.591 -6.956 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.684 5.596 -7.663 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.607 3.873 -6.937 1.00 0.00 O ATOM 0 H GLU A 7 30.020 2.992 -5.803 1.00 0.00 H new ATOM 0 HA GLU A 7 30.792 5.722 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.490 6.233 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.360 5.330 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.208 3.257 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.436 4.052 -5.037 1.00 0.00 H new ATOM 116 N ARG A 8 29.349 3.736 -3.008 1.00 0.00 N ATOM 117 CA ARG A 8 28.776 3.560 -1.679 1.00 0.00 C ATOM 118 C ARG A 8 29.859 3.767 -0.615 1.00 0.00 C ATOM 119 O ARG A 8 29.711 4.576 0.283 1.00 0.00 O ATOM 120 CB ARG A 8 28.179 2.144 -1.591 1.00 0.00 C ATOM 121 CG ARG A 8 26.735 2.099 -1.067 1.00 0.00 C ATOM 122 CD ARG A 8 25.762 1.520 -2.098 1.00 0.00 C ATOM 123 NE ARG A 8 24.559 0.994 -1.463 1.00 0.00 N ATOM 124 CZ ARG A 8 23.602 1.766 -0.904 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.688 3.092 -0.911 1.00 0.00 N ATOM 126 NH2 ARG A 8 22.557 1.172 -0.337 1.00 0.00 N ATOM 0 H ARG A 8 29.634 2.868 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 8 27.989 4.294 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.209 1.688 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.808 1.537 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.699 1.498 -0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.417 3.106 -0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.487 2.294 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.255 0.726 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 8 24.433 -0.018 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.490 3.549 -1.345 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.952 3.653 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 8 22.490 0.154 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG A 8 21.822 1.734 0.092 1.00 0.00 H new ATOM 140 N LEU A 9 30.940 2.986 -0.822 1.00 0.00 N ATOM 141 CA LEU A 9 32.189 2.995 -0.071 1.00 0.00 C ATOM 142 C LEU A 9 32.778 4.423 -0.111 1.00 0.00 C ATOM 143 O LEU A 9 33.112 4.995 0.915 1.00 0.00 O ATOM 144 CB LEU A 9 33.142 1.951 -0.662 1.00 0.00 C ATOM 145 CG LEU A 9 32.613 0.506 -0.673 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.322 -0.246 -1.805 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.757 -0.216 0.667 1.00 0.00 C ATOM 0 H LEU A 9 30.953 2.292 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 9 32.024 2.729 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.381 2.240 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.074 1.974 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 9 31.537 0.534 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.966 -1.276 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.107 0.242 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.398 -0.239 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.362 -1.228 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.810 -0.260 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.202 0.325 1.433 1.00 0.00 H new ATOM 159 N LYS A 10 32.824 4.989 -1.337 1.00 0.00 N ATOM 160 CA LYS A 10 33.247 6.389 -1.480 1.00 0.00 C ATOM 161 C LYS A 10 32.318 7.378 -0.743 1.00 0.00 C ATOM 162 O LYS A 10 32.770 8.390 -0.233 1.00 0.00 O ATOM 163 CB LYS A 10 33.254 6.802 -2.953 1.00 0.00 C ATOM 164 CG LYS A 10 34.490 6.329 -3.701 1.00 0.00 C ATOM 165 CD LYS A 10 34.498 6.737 -5.180 1.00 0.00 C ATOM 166 CE LYS A 10 33.668 7.974 -5.534 1.00 0.00 C ATOM 167 NZ LYS A 10 33.761 8.264 -6.957 1.00 0.00 N ATOM 0 H LYS A 10 32.583 4.516 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 10 34.244 6.437 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.366 6.400 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.190 7.888 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.377 6.734 -3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.555 5.243 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.530 6.916 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 10 34.134 5.897 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 10 32.626 7.811 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 10 34.019 8.831 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.192 9.106 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.754 8.441 -7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.404 7.453 -7.501 1.00 0.00 H new ATOM 181 N ALA A 11 31.008 7.041 -0.744 1.00 0.00 N ATOM 182 CA ALA A 11 30.008 7.940 -0.161 1.00 0.00 C ATOM 183 C ALA A 11 30.149 8.081 1.367 1.00 0.00 C ATOM 184 O ALA A 11 29.657 9.040 1.941 1.00 0.00 O ATOM 185 CB ALA A 11 28.588 7.479 -0.511 1.00 0.00 C ATOM 0 H ALA A 11 30.634 6.175 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 11 30.190 8.922 -0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.864 8.162 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.464 7.472 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.425 6.474 -0.121 1.00 0.00 H new ATOM 191 N LEU A 12 30.858 7.106 1.985 1.00 0.00 N ATOM 192 CA LEU A 12 31.141 7.179 3.416 1.00 0.00 C ATOM 193 C LEU A 12 32.290 8.184 3.724 1.00 0.00 C ATOM 194 O LEU A 12 32.712 8.300 4.865 1.00 0.00 O ATOM 195 CB LEU A 12 31.530 5.781 3.925 1.00 0.00 C ATOM 196 CG LEU A 12 30.418 4.707 3.980 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.603 3.683 2.862 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.430 3.946 5.309 1.00 0.00 C ATOM 0 H LEU A 12 31.232 6.281 1.516 1.00 0.00 H new ATOM 0 HA LEU A 12 30.244 7.532 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.332 5.403 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.942 5.891 4.928 1.00 0.00 H new ATOM 0 HG LEU A 12 29.471 5.235 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.811 2.936 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.559 4.187 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.571 3.194 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.635 3.201 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.392 3.450 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.272 4.645 6.130 1.00 0.00 H new ATOM 210 N GLY A 13 32.756 8.898 2.667 1.00 0.00 N ATOM 211 CA GLY A 13 33.778 9.934 2.809 1.00 0.00 C ATOM 212 C GLY A 13 35.187 9.408 2.501 1.00 0.00 C ATOM 213 O GLY A 13 36.155 9.863 3.093 1.00 0.00 O ATOM 0 H GLY A 13 32.430 8.764 1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.548 10.763 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.754 10.328 3.825 1.00 0.00 H new ATOM 217 N PHE A 14 35.227 8.421 1.567 1.00 0.00 N ATOM 218 CA PHE A 14 36.458 7.709 1.202 1.00 0.00 C ATOM 219 C PHE A 14 36.843 8.082 -0.252 1.00 0.00 C ATOM 220 O PHE A 14 36.635 9.217 -0.673 1.00 0.00 O ATOM 221 CB PHE A 14 36.249 6.188 1.418 1.00 0.00 C ATOM 222 CG PHE A 14 35.753 5.827 2.801 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.989 6.644 3.908 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.990 4.676 2.970 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.374 6.378 5.121 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.378 4.407 4.185 1.00 0.00 C ATOM 227 CZ PHE A 14 34.546 5.283 5.253 1.00 0.00 C ATOM 0 H PHE A 14 34.404 8.105 1.054 1.00 0.00 H new ATOM 0 HA PHE A 14 37.294 8.003 1.837 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.536 5.821 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.192 5.672 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.655 7.489 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.873 3.986 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.544 7.030 5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.773 3.520 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 14 34.029 5.106 6.184 1.00 0.00 H new ATOM 237 N GLU A 15 37.415 7.094 -0.978 1.00 0.00 N ATOM 238 CA GLU A 15 37.912 7.286 -2.345 1.00 0.00 C ATOM 239 C GLU A 15 38.018 5.913 -3.013 1.00 0.00 C ATOM 240 O GLU A 15 38.422 4.948 -2.372 1.00 0.00 O ATOM 241 CB GLU A 15 39.308 7.940 -2.351 1.00 0.00 C ATOM 242 CG GLU A 15 39.591 8.721 -3.650 1.00 0.00 C ATOM 243 CD GLU A 15 39.230 10.220 -3.582 1.00 0.00 C ATOM 244 OE1 GLU A 15 38.657 10.660 -2.585 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.536 10.937 -4.534 1.00 0.00 O ATOM 0 H GLU A 15 37.541 6.145 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 15 37.222 7.941 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.392 8.615 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.067 7.169 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.649 8.625 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.032 8.261 -4.465 1.00 0.00 H new ATOM 252 N GLU A 16 37.657 5.886 -4.314 1.00 0.00 N ATOM 253 CA GLU A 16 37.572 4.680 -5.146 1.00 0.00 C ATOM 254 C GLU A 16 38.840 3.782 -5.099 1.00 0.00 C ATOM 255 O GLU A 16 38.775 2.605 -5.421 1.00 0.00 O ATOM 256 CB GLU A 16 37.183 5.077 -6.581 1.00 0.00 C ATOM 257 CG GLU A 16 37.562 4.089 -7.701 1.00 0.00 C ATOM 258 CD GLU A 16 36.822 4.387 -9.020 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.663 5.560 -9.353 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.413 3.444 -9.699 1.00 0.00 O ATOM 0 H GLU A 16 37.410 6.734 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 16 36.791 4.048 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.104 5.228 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.645 6.038 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.638 4.133 -7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.332 3.073 -7.379 1.00 0.00 H new ATOM 267 N SER A 17 39.978 4.372 -4.680 1.00 0.00 N ATOM 268 CA SER A 17 41.208 3.600 -4.567 1.00 0.00 C ATOM 269 C SER A 17 41.227 2.785 -3.262 1.00 0.00 C ATOM 270 O SER A 17 41.425 1.583 -3.292 1.00 0.00 O ATOM 271 CB SER A 17 42.406 4.566 -4.593 1.00 0.00 C ATOM 272 OG SER A 17 43.041 4.635 -5.854 1.00 0.00 O ATOM 0 H SER A 17 40.060 5.356 -4.423 1.00 0.00 H new ATOM 0 HA SER A 17 41.268 2.903 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.067 5.562 -4.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.133 4.252 -3.844 1.00 0.00 H new ATOM 0 HG SER A 17 43.791 5.264 -5.809 1.00 0.00 H new ATOM 278 N LEU A 18 41.015 3.505 -2.127 1.00 0.00 N ATOM 279 CA LEU A 18 41.011 2.815 -0.827 1.00 0.00 C ATOM 280 C LEU A 18 39.831 1.851 -0.724 1.00 0.00 C ATOM 281 O LEU A 18 39.860 0.908 0.073 1.00 0.00 O ATOM 282 CB LEU A 18 41.107 3.791 0.368 1.00 0.00 C ATOM 283 CG LEU A 18 39.831 4.506 0.875 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.561 4.242 2.367 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.923 6.017 0.653 1.00 0.00 C ATOM 0 H LEU A 18 40.853 4.511 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 18 41.919 2.214 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.527 3.238 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.829 4.563 0.102 1.00 0.00 H new ATOM 0 HG LEU A 18 39.005 4.093 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.655 4.766 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.433 3.172 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.404 4.601 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.014 6.494 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.783 6.413 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.038 6.222 -0.411 1.00 0.00 H new ATOM 297 N VAL A 19 38.838 2.135 -1.572 1.00 0.00 N ATOM 298 CA VAL A 19 37.563 1.451 -1.724 1.00 0.00 C ATOM 299 C VAL A 19 37.739 0.128 -2.470 1.00 0.00 C ATOM 300 O VAL A 19 37.400 -0.925 -1.960 1.00 0.00 O ATOM 301 CB VAL A 19 36.675 2.436 -2.496 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.613 1.803 -3.395 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.119 3.567 -1.611 1.00 0.00 C ATOM 0 H VAL A 19 38.919 2.917 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 19 37.117 1.184 -0.766 1.00 0.00 H new ATOM 0 HB VAL A 19 37.363 2.900 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.043 2.588 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.097 1.176 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.941 1.194 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.499 4.230 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.518 3.139 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.946 4.133 -1.182 1.00 0.00 H new ATOM 313 N ILE A 20 38.265 0.260 -3.706 1.00 0.00 N ATOM 314 CA ILE A 20 38.469 -0.907 -4.561 1.00 0.00 C ATOM 315 C ILE A 20 39.337 -1.935 -3.847 1.00 0.00 C ATOM 316 O ILE A 20 38.995 -3.103 -3.811 1.00 0.00 O ATOM 317 CB ILE A 20 39.066 -0.493 -5.926 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.980 0.038 -6.873 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.871 -1.606 -6.623 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.093 -1.068 -7.467 1.00 0.00 C ATOM 0 H ILE A 20 38.548 1.148 -4.120 1.00 0.00 H new ATOM 0 HA ILE A 20 37.503 -1.370 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 20 39.772 0.305 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.352 0.746 -6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.454 0.588 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.256 -1.236 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.703 -1.906 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.224 -2.465 -6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.348 -0.622 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.710 -1.764 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.591 -1.603 -6.661 1.00 0.00 H new ATOM 332 N GLN A 21 40.445 -1.426 -3.279 1.00 0.00 N ATOM 333 CA GLN A 21 41.387 -2.285 -2.577 1.00 0.00 C ATOM 334 C GLN A 21 40.834 -2.777 -1.219 1.00 0.00 C ATOM 335 O GLN A 21 41.225 -3.830 -0.748 1.00 0.00 O ATOM 336 CB GLN A 21 42.703 -1.519 -2.407 1.00 0.00 C ATOM 337 CG GLN A 21 43.901 -2.424 -2.089 1.00 0.00 C ATOM 338 CD GLN A 21 45.206 -1.623 -2.269 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.381 -0.889 -3.223 1.00 0.00 O ATOM 340 NE2 GLN A 21 46.084 -1.784 -1.267 1.00 0.00 N ATOM 0 H GLN A 21 40.699 -0.438 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 21 41.557 -3.185 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.911 -0.962 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.588 -0.788 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.828 -2.798 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.900 -3.293 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.869 -2.418 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.966 -1.272 -1.275 1.00 0.00 H new ATOM 349 N ALA A 22 39.903 -1.978 -0.640 1.00 0.00 N ATOM 350 CA ALA A 22 39.214 -2.384 0.590 1.00 0.00 C ATOM 351 C ALA A 22 38.090 -3.385 0.334 1.00 0.00 C ATOM 352 O ALA A 22 37.607 -3.998 1.270 1.00 0.00 O ATOM 353 CB ALA A 22 38.503 -1.204 1.259 1.00 0.00 C ATOM 0 H ALA A 22 39.623 -1.067 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 22 40.006 -2.808 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.005 -1.546 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.233 -0.436 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.764 -0.789 0.574 1.00 0.00 H new ATOM 359 N TYR A 23 37.679 -3.482 -0.946 1.00 0.00 N ATOM 360 CA TYR A 23 36.582 -4.372 -1.309 1.00 0.00 C ATOM 361 C TYR A 23 37.168 -5.652 -1.915 1.00 0.00 C ATOM 362 O TYR A 23 36.583 -6.714 -1.787 1.00 0.00 O ATOM 363 CB TYR A 23 35.610 -3.653 -2.265 1.00 0.00 C ATOM 364 CG TYR A 23 34.161 -3.972 -1.987 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.465 -3.237 -1.045 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.486 -4.980 -2.657 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.114 -3.456 -0.804 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.137 -5.219 -2.426 1.00 0.00 C ATOM 369 CZ TYR A 23 31.441 -4.432 -1.513 1.00 0.00 C ATOM 370 OH TYR A 23 30.085 -4.587 -1.304 1.00 0.00 O ATOM 0 H TYR A 23 38.086 -2.963 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 23 36.003 -4.649 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.761 -2.576 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.847 -3.932 -3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.984 -2.474 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.018 -5.591 -3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.592 -2.866 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.630 -6.013 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 23 29.923 -5.419 -0.812 1.00 0.00 H new ATOM 380 N PHE A 24 38.346 -5.504 -2.559 1.00 0.00 N ATOM 381 CA PHE A 24 38.993 -6.613 -3.261 1.00 0.00 C ATOM 382 C PHE A 24 39.839 -7.441 -2.278 1.00 0.00 C ATOM 383 O PHE A 24 39.870 -8.656 -2.345 1.00 0.00 O ATOM 384 CB PHE A 24 39.906 -6.083 -4.389 1.00 0.00 C ATOM 385 CG PHE A 24 39.353 -6.328 -5.768 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.554 -7.562 -6.377 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.653 -5.343 -6.453 1.00 0.00 C ATOM 388 CE1 PHE A 24 39.091 -7.798 -7.663 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.190 -5.571 -7.743 1.00 0.00 C ATOM 390 CZ PHE A 24 38.419 -6.797 -8.350 1.00 0.00 C ATOM 0 H PHE A 24 38.861 -4.625 -2.602 1.00 0.00 H new ATOM 0 HA PHE A 24 38.214 -7.241 -3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.058 -5.013 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.884 -6.557 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 24 40.075 -8.343 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.467 -4.391 -5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.253 -8.759 -8.129 1.00 0.00 H new ATOM 0 HE2 PHE A 24 37.654 -4.796 -8.271 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.074 -6.973 -9.358 1.00 0.00 H new ATOM 400 N ALA A 25 40.517 -6.698 -1.369 1.00 0.00 N ATOM 401 CA ALA A 25 41.313 -7.334 -0.320 1.00 0.00 C ATOM 402 C ALA A 25 40.402 -8.034 0.708 1.00 0.00 C ATOM 403 O ALA A 25 40.798 -8.993 1.352 1.00 0.00 O ATOM 404 CB ALA A 25 42.192 -6.290 0.378 1.00 0.00 C ATOM 0 H ALA A 25 40.522 -5.678 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 25 41.952 -8.087 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.781 -6.773 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.861 -5.832 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.560 -5.522 0.824 1.00 0.00 H new ATOM 410 N CYS A 26 39.160 -7.503 0.789 1.00 0.00 N ATOM 411 CA CYS A 26 38.127 -8.078 1.647 1.00 0.00 C ATOM 412 C CYS A 26 37.385 -9.261 0.990 1.00 0.00 C ATOM 413 O CYS A 26 36.432 -9.765 1.567 1.00 0.00 O ATOM 414 CB CYS A 26 37.115 -6.982 1.998 1.00 0.00 C ATOM 415 SG CYS A 26 37.515 -6.245 3.608 1.00 0.00 S ATOM 0 H CYS A 26 38.861 -6.679 0.267 1.00 0.00 H new ATOM 0 HA CYS A 26 38.620 -8.467 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.121 -6.212 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.109 -7.401 2.022 1.00 0.00 H new ATOM 0 HG CYS A 26 38.476 -5.382 3.463 1.00 0.00 H new ATOM 421 N GLU A 27 37.834 -9.664 -0.226 1.00 0.00 N ATOM 422 CA GLU A 27 37.145 -10.706 -0.996 1.00 0.00 C ATOM 423 C GLU A 27 35.666 -10.329 -1.255 1.00 0.00 C ATOM 424 O GLU A 27 34.739 -10.999 -0.835 1.00 0.00 O ATOM 425 CB GLU A 27 37.346 -12.090 -0.340 1.00 0.00 C ATOM 426 CG GLU A 27 36.461 -13.205 -0.935 1.00 0.00 C ATOM 427 CD GLU A 27 37.123 -14.593 -0.932 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.213 -14.722 -1.486 1.00 0.00 O ATOM 429 OE2 GLU A 27 36.536 -15.533 -0.393 1.00 0.00 O ATOM 0 H GLU A 27 38.662 -9.282 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 27 37.595 -10.779 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.392 -12.379 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.139 -12.008 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.530 -13.256 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.199 -12.940 -1.959 1.00 0.00 H new ATOM 436 N LYS A 28 35.557 -9.193 -1.983 1.00 0.00 N ATOM 437 CA LYS A 28 34.342 -8.580 -2.514 1.00 0.00 C ATOM 438 C LYS A 28 33.105 -8.844 -1.638 1.00 0.00 C ATOM 439 O LYS A 28 32.125 -9.433 -2.076 1.00 0.00 O ATOM 440 CB LYS A 28 34.164 -9.054 -3.964 1.00 0.00 C ATOM 441 CG LYS A 28 35.423 -8.873 -4.832 1.00 0.00 C ATOM 442 CD LYS A 28 35.709 -7.425 -5.259 1.00 0.00 C ATOM 443 CE LYS A 28 35.190 -7.103 -6.661 1.00 0.00 C ATOM 444 NZ LYS A 28 35.747 -8.034 -7.639 1.00 0.00 N ATOM 0 H LYS A 28 36.385 -8.649 -2.226 1.00 0.00 H new ATOM 0 HA LYS A 28 34.448 -7.495 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.884 -10.107 -3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.338 -8.506 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.284 -9.251 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.322 -9.487 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.251 -6.743 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.784 -7.248 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.102 -7.160 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.459 -6.081 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.398 -7.791 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.785 -7.972 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.455 -9.003 -7.401 1.00 0.00 H new ATOM 458 N ASN A 29 33.245 -8.403 -0.363 1.00 0.00 N ATOM 459 CA ASN A 29 32.259 -8.737 0.664 1.00 0.00 C ATOM 460 C ASN A 29 31.366 -7.514 0.908 1.00 0.00 C ATOM 461 O ASN A 29 30.983 -6.866 -0.072 1.00 0.00 O ATOM 462 CB ASN A 29 32.989 -9.284 1.909 1.00 0.00 C ATOM 463 CG ASN A 29 32.128 -10.334 2.640 1.00 0.00 C ATOM 464 OD1 ASN A 29 30.941 -10.172 2.852 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.816 -11.452 2.965 1.00 0.00 N ATOM 0 H ASN A 29 34.021 -7.826 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 29 31.587 -9.536 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.938 -9.730 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.222 -8.464 2.588 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.339 -12.231 3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.812 -11.517 2.756 1.00 0.00 H new ATOM 472 N GLU A 30 31.023 -7.204 2.175 1.00 0.00 N ATOM 473 CA GLU A 30 30.112 -6.074 2.415 1.00 0.00 C ATOM 474 C GLU A 30 30.435 -5.428 3.775 1.00 0.00 C ATOM 475 O GLU A 30 30.964 -4.332 3.864 1.00 0.00 O ATOM 476 CB GLU A 30 28.614 -6.484 2.330 1.00 0.00 C ATOM 477 CG GLU A 30 28.300 -7.809 1.611 1.00 0.00 C ATOM 478 CD GLU A 30 26.890 -8.299 1.994 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.759 -8.928 3.045 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.944 -8.046 1.248 1.00 0.00 O ATOM 0 H GLU A 30 31.346 -7.695 3.009 1.00 0.00 H new ATOM 0 HA GLU A 30 30.272 -5.344 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.220 -6.545 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.071 -5.685 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.364 -7.670 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 30 29.041 -8.562 1.880 1.00 0.00 H new ATOM 487 N ASN A 31 30.081 -6.207 4.820 1.00 0.00 N ATOM 488 CA ASN A 31 30.367 -5.828 6.199 1.00 0.00 C ATOM 489 C ASN A 31 31.877 -5.830 6.460 1.00 0.00 C ATOM 490 O ASN A 31 32.333 -5.194 7.396 1.00 0.00 O ATOM 491 CB ASN A 31 29.676 -6.822 7.164 1.00 0.00 C ATOM 492 CG ASN A 31 28.612 -6.159 8.061 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.129 -5.071 7.814 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.289 -6.916 9.133 1.00 0.00 N ATOM 0 H ASN A 31 29.597 -7.100 4.723 1.00 0.00 H new ATOM 0 HA ASN A 31 29.985 -4.821 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.208 -7.616 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.432 -7.291 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 31 27.595 -6.583 9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 31 28.739 -7.821 9.273 1.00 0.00 H new ATOM 501 N LEU A 32 32.606 -6.575 5.599 1.00 0.00 N ATOM 502 CA LEU A 32 34.054 -6.668 5.759 1.00 0.00 C ATOM 503 C LEU A 32 34.722 -5.415 5.173 1.00 0.00 C ATOM 504 O LEU A 32 35.618 -4.837 5.757 1.00 0.00 O ATOM 505 CB LEU A 32 34.587 -7.913 5.020 1.00 0.00 C ATOM 506 CG LEU A 32 35.697 -8.681 5.760 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.665 -7.800 6.559 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.070 -9.737 6.664 1.00 0.00 C ATOM 0 H LEU A 32 32.221 -7.101 4.814 1.00 0.00 H new ATOM 0 HA LEU A 32 34.286 -6.747 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.755 -8.593 4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.966 -7.604 4.046 1.00 0.00 H new ATOM 0 HG LEU A 32 36.309 -9.146 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.411 -8.428 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 32 37.162 -7.102 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.111 -7.243 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 35.856 -10.281 7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.417 -9.253 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.488 -10.433 6.061 1.00 0.00 H new ATOM 520 N ALA A 33 34.212 -5.062 3.969 1.00 0.00 N ATOM 521 CA ALA A 33 34.731 -3.911 3.246 1.00 0.00 C ATOM 522 C ALA A 33 34.530 -2.614 4.024 1.00 0.00 C ATOM 523 O ALA A 33 35.447 -1.828 4.172 1.00 0.00 O ATOM 524 CB ALA A 33 34.023 -3.774 1.913 1.00 0.00 C ATOM 0 H ALA A 33 33.455 -5.557 3.497 1.00 0.00 H new ATOM 0 HA ALA A 33 35.799 -4.078 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.418 -2.910 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.187 -4.674 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.954 -3.640 2.081 1.00 0.00 H new ATOM 530 N ALA A 34 33.284 -2.459 4.521 1.00 0.00 N ATOM 531 CA ALA A 34 32.985 -1.316 5.375 1.00 0.00 C ATOM 532 C ALA A 34 33.934 -1.308 6.579 1.00 0.00 C ATOM 533 O ALA A 34 34.574 -0.306 6.866 1.00 0.00 O ATOM 534 CB ALA A 34 31.524 -1.353 5.832 1.00 0.00 C ATOM 0 H ALA A 34 32.503 -3.091 4.348 1.00 0.00 H new ATOM 0 HA ALA A 34 33.134 -0.398 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.320 -0.492 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.869 -1.324 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.341 -2.270 6.392 1.00 0.00 H new ATOM 540 N ASN A 35 34.051 -2.476 7.235 1.00 0.00 N ATOM 541 CA ASN A 35 34.949 -2.538 8.392 1.00 0.00 C ATOM 542 C ASN A 35 36.403 -2.160 8.039 1.00 0.00 C ATOM 543 O ASN A 35 37.095 -1.575 8.864 1.00 0.00 O ATOM 544 CB ASN A 35 34.944 -3.948 9.005 1.00 0.00 C ATOM 545 CG ASN A 35 34.952 -3.906 10.543 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.182 -2.895 11.177 1.00 0.00 O ATOM 547 ND2 ASN A 35 34.639 -5.105 11.080 1.00 0.00 N ATOM 0 H ASN A 35 33.565 -3.341 7.000 1.00 0.00 H new ATOM 0 HA ASN A 35 34.571 -1.809 9.109 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.063 -4.490 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.815 -4.500 8.653 1.00 0.00 H new ATOM 0 HD21 ASN A 35 34.581 -5.211 12.093 1.00 0.00 H new ATOM 0 HD22 ASN A 35 34.460 -5.905 10.473 1.00 0.00 H new ATOM 554 N PHE A 36 36.821 -2.501 6.800 1.00 0.00 N ATOM 555 CA PHE A 36 38.176 -2.182 6.330 1.00 0.00 C ATOM 556 C PHE A 36 38.380 -0.650 6.303 1.00 0.00 C ATOM 557 O PHE A 36 39.335 -0.124 6.853 1.00 0.00 O ATOM 558 CB PHE A 36 38.402 -2.806 4.931 1.00 0.00 C ATOM 559 CG PHE A 36 39.779 -2.581 4.333 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.180 -1.315 3.911 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.657 -3.646 4.144 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.415 -1.107 3.315 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.898 -3.444 3.550 1.00 0.00 C ATOM 564 CZ PHE A 36 42.280 -2.174 3.133 1.00 0.00 C ATOM 0 H PHE A 36 36.242 -2.992 6.118 1.00 0.00 H new ATOM 0 HA PHE A 36 38.911 -2.605 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.224 -3.879 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.657 -2.401 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.514 -0.477 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.371 -4.638 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.702 -0.116 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.569 -4.279 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.244 -2.020 2.671 1.00 0.00 H new ATOM 574 N LEU A 37 37.429 0.008 5.598 1.00 0.00 N ATOM 575 CA LEU A 37 37.553 1.424 5.280 1.00 0.00 C ATOM 576 C LEU A 37 37.363 2.314 6.531 1.00 0.00 C ATOM 577 O LEU A 37 37.914 3.404 6.614 1.00 0.00 O ATOM 578 CB LEU A 37 36.517 1.809 4.215 1.00 0.00 C ATOM 579 CG LEU A 37 36.694 1.160 2.825 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.440 0.392 2.395 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.076 2.175 1.730 1.00 0.00 C ATOM 0 H LEU A 37 36.577 -0.429 5.247 1.00 0.00 H new ATOM 0 HA LEU A 37 38.561 1.591 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.527 1.550 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.538 2.892 4.093 1.00 0.00 H new ATOM 0 HG LEU A 37 37.523 0.461 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.603 -0.050 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.231 -0.397 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.592 1.076 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.186 1.658 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.294 2.930 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.018 2.656 1.993 1.00 0.00 H new ATOM 593 N LEU A 38 36.553 1.776 7.479 1.00 0.00 N ATOM 594 CA LEU A 38 36.194 2.508 8.694 1.00 0.00 C ATOM 595 C LEU A 38 37.274 2.291 9.787 1.00 0.00 C ATOM 596 O LEU A 38 37.471 3.121 10.660 1.00 0.00 O ATOM 597 CB LEU A 38 34.788 2.123 9.230 1.00 0.00 C ATOM 598 CG LEU A 38 33.581 2.100 8.247 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.361 2.876 8.762 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.910 2.585 6.838 1.00 0.00 C ATOM 0 H LEU A 38 36.145 0.843 7.415 1.00 0.00 H new ATOM 0 HA LEU A 38 36.151 3.565 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.867 1.132 9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.543 2.816 10.035 1.00 0.00 H new ATOM 0 HG LEU A 38 33.333 1.040 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.557 2.819 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.025 2.442 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.634 3.919 8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.015 2.537 6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.266 3.614 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.685 1.951 6.407 1.00 0.00 H new ATOM 612 N SER A 39 37.956 1.126 9.654 1.00 0.00 N ATOM 613 CA SER A 39 39.045 0.738 10.551 1.00 0.00 C ATOM 614 C SER A 39 40.405 1.267 10.062 1.00 0.00 C ATOM 615 O SER A 39 41.406 1.146 10.752 1.00 0.00 O ATOM 616 CB SER A 39 39.099 -0.794 10.684 1.00 0.00 C ATOM 617 OG SER A 39 40.005 -1.223 11.685 1.00 0.00 O ATOM 0 H SER A 39 37.760 0.442 8.924 1.00 0.00 H new ATOM 0 HA SER A 39 38.844 1.184 11.525 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.103 -1.170 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.389 -1.228 9.727 1.00 0.00 H new ATOM 0 HG SER A 39 40.733 -0.572 11.768 1.00 0.00 H new