USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=6 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+ -170:sc= 0 (180deg=-0.0314) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.3) USER MOD Single : A 23 TYR OH : rot -100:sc= 0.432 USER MOD Single : A 26 CYS SG : rot 60:sc= -2.28 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.776 (180deg=0.436) USER MOD Single : A 29 ASN : amide:sc= -0.0787 X(o=-0.079,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.7!) USER MOD Single : A 35 ASN : amide:sc=-0.00304 X(o=-0.003,f=0.12) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.167 -1.758 -9.110 1.00 0.00 N ATOM 36 CA LYS A 3 31.110 -0.295 -9.166 1.00 0.00 C ATOM 37 C LYS A 3 29.962 0.318 -8.338 1.00 0.00 C ATOM 38 O LYS A 3 29.990 1.495 -8.007 1.00 0.00 O ATOM 39 CB LYS A 3 31.065 0.174 -10.625 1.00 0.00 C ATOM 40 CG LYS A 3 29.965 -0.510 -11.454 1.00 0.00 C ATOM 41 CD LYS A 3 29.216 0.456 -12.384 1.00 0.00 C ATOM 42 CE LYS A 3 29.783 0.502 -13.809 1.00 0.00 C ATOM 43 NZ LYS A 3 29.759 1.847 -14.371 1.00 0.00 N ATOM 0 HA LYS A 3 32.023 0.072 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 3 30.908 1.252 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.032 -0.017 -11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.411 -1.305 -12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.250 -0.981 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.167 0.164 -12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.250 1.458 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 3 30.808 0.132 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 3 29.207 -0.167 -14.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 30.151 1.828 -15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 28.779 2.192 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 30.330 2.482 -13.777 1.00 0.00 H new ATOM 57 N GLU A 4 28.979 -0.547 -8.018 1.00 0.00 N ATOM 58 CA GLU A 4 27.820 -0.147 -7.231 1.00 0.00 C ATOM 59 C GLU A 4 28.194 0.156 -5.774 1.00 0.00 C ATOM 60 O GLU A 4 27.731 1.112 -5.174 1.00 0.00 O ATOM 61 CB GLU A 4 26.800 -1.296 -7.256 1.00 0.00 C ATOM 62 CG GLU A 4 25.431 -0.798 -7.707 1.00 0.00 C ATOM 63 CD GLU A 4 24.383 -1.909 -7.551 1.00 0.00 C ATOM 64 OE1 GLU A 4 23.773 -1.997 -6.485 1.00 0.00 O ATOM 65 OE2 GLU A 4 24.190 -2.676 -8.494 1.00 0.00 O ATOM 0 H GLU A 4 28.975 -1.528 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 4 27.406 0.763 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.146 -2.080 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.721 -1.740 -6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.140 0.071 -7.117 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.478 -0.476 -8.747 1.00 0.00 H new ATOM 72 N ALA A 5 29.065 -0.738 -5.256 1.00 0.00 N ATOM 73 CA ALA A 5 29.557 -0.512 -3.910 1.00 0.00 C ATOM 74 C ALA A 5 30.612 0.592 -3.913 1.00 0.00 C ATOM 75 O ALA A 5 30.908 1.122 -2.851 1.00 0.00 O ATOM 76 CB ALA A 5 30.124 -1.793 -3.297 1.00 0.00 C ATOM 0 H ALA A 5 29.416 -1.571 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 5 28.715 -0.197 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.483 -1.586 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.344 -2.553 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.950 -2.155 -3.909 1.00 0.00 H new ATOM 82 N ILE A 6 31.173 0.938 -5.090 1.00 0.00 N ATOM 83 CA ILE A 6 32.286 1.895 -5.082 1.00 0.00 C ATOM 84 C ILE A 6 31.789 3.302 -4.753 1.00 0.00 C ATOM 85 O ILE A 6 32.394 3.988 -3.942 1.00 0.00 O ATOM 86 CB ILE A 6 33.147 1.857 -6.355 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.544 0.420 -6.687 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.421 2.714 -6.231 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.345 0.315 -7.991 1.00 0.00 C ATOM 0 H ILE A 6 30.891 0.590 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 6 32.960 1.580 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 6 32.536 2.274 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.136 0.012 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.646 -0.192 -6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.993 2.652 -7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.145 3.752 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.028 2.346 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.601 -0.728 -8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.745 0.696 -8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.259 0.903 -7.905 1.00 0.00 H new ATOM 101 N GLU A 7 30.662 3.687 -5.365 1.00 0.00 N ATOM 102 CA GLU A 7 30.063 4.985 -5.055 1.00 0.00 C ATOM 103 C GLU A 7 29.472 5.039 -3.628 1.00 0.00 C ATOM 104 O GLU A 7 29.234 6.111 -3.099 1.00 0.00 O ATOM 105 CB GLU A 7 28.997 5.298 -6.114 1.00 0.00 C ATOM 106 CG GLU A 7 27.863 4.255 -6.162 1.00 0.00 C ATOM 107 CD GLU A 7 26.979 4.365 -7.421 1.00 0.00 C ATOM 108 OE1 GLU A 7 27.504 4.651 -8.496 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.770 4.151 -7.315 1.00 0.00 O ATOM 0 H GLU A 7 30.160 3.133 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 7 30.845 5.744 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.570 6.280 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.472 5.353 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.297 3.256 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.237 4.370 -5.277 1.00 0.00 H new ATOM 116 N ARG A 8 29.269 3.834 -3.047 1.00 0.00 N ATOM 117 CA ARG A 8 28.728 3.714 -1.696 1.00 0.00 C ATOM 118 C ARG A 8 29.845 3.908 -0.659 1.00 0.00 C ATOM 119 O ARG A 8 29.766 4.792 0.176 1.00 0.00 O ATOM 120 CB ARG A 8 28.030 2.347 -1.576 1.00 0.00 C ATOM 121 CG ARG A 8 26.648 2.419 -0.908 1.00 0.00 C ATOM 122 CD ARG A 8 25.628 1.473 -1.558 1.00 0.00 C ATOM 123 NE ARG A 8 24.851 2.178 -2.577 1.00 0.00 N ATOM 124 CZ ARG A 8 23.800 2.975 -2.256 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.438 3.151 -0.987 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.122 3.591 -3.219 1.00 0.00 N ATOM 0 H ARG A 8 29.474 2.943 -3.499 1.00 0.00 H new ATOM 0 HA ARG A 8 27.990 4.492 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.921 1.915 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.666 1.672 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.746 2.171 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.275 3.442 -0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 8 26.145 0.626 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 8 24.960 1.071 -0.797 1.00 0.00 H new ATOM 0 HE ARG A 8 25.106 2.068 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.953 2.684 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.646 3.753 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.392 3.464 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.332 4.191 -2.983 1.00 0.00 H new ATOM 140 N LEU A 9 30.878 3.047 -0.810 1.00 0.00 N ATOM 141 CA LEU A 9 32.136 3.043 -0.062 1.00 0.00 C ATOM 142 C LEU A 9 32.739 4.475 -0.059 1.00 0.00 C ATOM 143 O LEU A 9 33.049 5.030 0.985 1.00 0.00 O ATOM 144 CB LEU A 9 33.086 1.988 -0.656 1.00 0.00 C ATOM 145 CG LEU A 9 32.551 0.541 -0.612 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.124 -0.263 -1.782 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.818 -0.179 0.709 1.00 0.00 C ATOM 0 H LEU A 9 30.844 2.297 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 9 31.966 2.765 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.297 2.251 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.033 2.027 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 9 31.467 0.612 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.742 -1.283 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.827 0.201 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.212 -0.280 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.412 -1.189 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.892 -0.228 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.340 0.366 1.523 1.00 0.00 H new ATOM 159 N LYS A 10 32.828 5.061 -1.266 1.00 0.00 N ATOM 160 CA LYS A 10 33.333 6.434 -1.426 1.00 0.00 C ATOM 161 C LYS A 10 32.433 7.480 -0.739 1.00 0.00 C ATOM 162 O LYS A 10 32.912 8.471 -0.213 1.00 0.00 O ATOM 163 CB LYS A 10 33.381 6.785 -2.913 1.00 0.00 C ATOM 164 CG LYS A 10 34.412 5.978 -3.685 1.00 0.00 C ATOM 165 CD LYS A 10 34.175 6.082 -5.189 1.00 0.00 C ATOM 166 CE LYS A 10 34.668 7.400 -5.779 1.00 0.00 C ATOM 167 NZ LYS A 10 34.405 7.400 -7.211 1.00 0.00 N ATOM 0 H LYS A 10 32.558 4.608 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 10 34.320 6.461 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.397 6.619 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.604 7.846 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.413 6.337 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.366 4.933 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 10 34.679 5.255 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 33.109 5.975 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 10 34.162 8.240 -5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 10 35.735 7.522 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 34.884 8.211 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.762 6.518 -7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.381 7.471 -7.376 1.00 0.00 H new ATOM 181 N ALA A 11 31.111 7.199 -0.796 1.00 0.00 N ATOM 182 CA ALA A 11 30.124 8.115 -0.220 1.00 0.00 C ATOM 183 C ALA A 11 30.224 8.208 1.315 1.00 0.00 C ATOM 184 O ALA A 11 29.761 9.176 1.900 1.00 0.00 O ATOM 185 CB ALA A 11 28.702 7.708 -0.625 1.00 0.00 C ATOM 0 H ALA A 11 30.718 6.362 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 11 30.348 9.103 -0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.986 8.402 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.612 7.732 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.496 6.699 -0.266 1.00 0.00 H new ATOM 191 N LEU A 12 30.866 7.186 1.929 1.00 0.00 N ATOM 192 CA LEU A 12 31.101 7.219 3.370 1.00 0.00 C ATOM 193 C LEU A 12 32.288 8.160 3.742 1.00 0.00 C ATOM 194 O LEU A 12 32.665 8.234 4.903 1.00 0.00 O ATOM 195 CB LEU A 12 31.399 5.795 3.872 1.00 0.00 C ATOM 196 CG LEU A 12 30.236 4.773 3.894 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.379 3.745 2.772 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.210 4.006 5.219 1.00 0.00 C ATOM 0 H LEU A 12 31.218 6.355 1.454 1.00 0.00 H new ATOM 0 HA LEU A 12 30.202 7.609 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.194 5.382 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.793 5.874 4.885 1.00 0.00 H new ATOM 0 HG LEU A 12 29.316 5.344 3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.547 3.042 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.374 4.255 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.318 3.204 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.385 3.294 5.211 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.150 3.470 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.076 4.707 6.043 1.00 0.00 H new ATOM 210 N GLY A 13 32.840 8.866 2.722 1.00 0.00 N ATOM 211 CA GLY A 13 33.909 9.849 2.928 1.00 0.00 C ATOM 212 C GLY A 13 35.296 9.304 2.554 1.00 0.00 C ATOM 213 O GLY A 13 36.308 9.779 3.054 1.00 0.00 O ATOM 0 H GLY A 13 32.553 8.764 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.700 10.738 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.915 10.160 3.973 1.00 0.00 H new ATOM 217 N PHE A 14 35.271 8.273 1.672 1.00 0.00 N ATOM 218 CA PHE A 14 36.483 7.540 1.302 1.00 0.00 C ATOM 219 C PHE A 14 36.880 7.938 -0.140 1.00 0.00 C ATOM 220 O PHE A 14 36.687 9.083 -0.541 1.00 0.00 O ATOM 221 CB PHE A 14 36.237 6.022 1.487 1.00 0.00 C ATOM 222 CG PHE A 14 35.666 5.654 2.842 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.856 6.456 3.968 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.874 4.515 2.962 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.170 6.192 5.142 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.193 4.246 4.135 1.00 0.00 C ATOM 227 CZ PHE A 14 34.314 5.115 5.216 1.00 0.00 C ATOM 0 H PHE A 14 34.423 7.941 1.212 1.00 0.00 H new ATOM 0 HA PHE A 14 37.324 7.796 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.555 5.677 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.178 5.491 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.543 7.288 3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.791 3.833 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.306 6.832 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.571 3.367 4.212 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.737 4.945 6.113 1.00 0.00 H new ATOM 237 N GLU A 15 37.443 6.959 -0.881 1.00 0.00 N ATOM 238 CA GLU A 15 37.952 7.192 -2.236 1.00 0.00 C ATOM 239 C GLU A 15 38.074 5.839 -2.939 1.00 0.00 C ATOM 240 O GLU A 15 38.487 4.861 -2.324 1.00 0.00 O ATOM 241 CB GLU A 15 39.342 7.859 -2.196 1.00 0.00 C ATOM 242 CG GLU A 15 39.658 8.663 -3.471 1.00 0.00 C ATOM 243 CD GLU A 15 39.301 10.161 -3.374 1.00 0.00 C ATOM 244 OE1 GLU A 15 38.551 10.548 -2.477 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.788 10.931 -4.202 1.00 0.00 O ATOM 0 H GLU A 15 37.553 5.999 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 15 37.266 7.853 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.397 8.521 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.104 7.092 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.721 8.567 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.115 8.224 -4.308 1.00 0.00 H new ATOM 252 N GLU A 16 37.709 5.848 -4.238 1.00 0.00 N ATOM 253 CA GLU A 16 37.651 4.686 -5.130 1.00 0.00 C ATOM 254 C GLU A 16 38.872 3.726 -5.031 1.00 0.00 C ATOM 255 O GLU A 16 38.758 2.545 -5.324 1.00 0.00 O ATOM 256 CB GLU A 16 37.487 5.211 -6.565 1.00 0.00 C ATOM 257 CG GLU A 16 37.703 4.166 -7.678 1.00 0.00 C ATOM 258 CD GLU A 16 37.531 4.759 -9.086 1.00 0.00 C ATOM 259 OE1 GLU A 16 37.668 5.973 -9.237 1.00 0.00 O ATOM 260 OE2 GLU A 16 37.275 4.000 -10.020 1.00 0.00 O ATOM 0 H GLU A 16 37.435 6.710 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 16 36.803 4.075 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.485 5.627 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.190 6.030 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.703 3.743 -7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.997 3.346 -7.544 1.00 0.00 H new ATOM 267 N SER A 17 40.026 4.281 -4.621 1.00 0.00 N ATOM 268 CA SER A 17 41.242 3.487 -4.521 1.00 0.00 C ATOM 269 C SER A 17 41.279 2.715 -3.196 1.00 0.00 C ATOM 270 O SER A 17 41.498 1.515 -3.191 1.00 0.00 O ATOM 271 CB SER A 17 42.444 4.436 -4.609 1.00 0.00 C ATOM 272 OG SER A 17 42.973 4.526 -5.918 1.00 0.00 O ATOM 0 H SER A 17 40.132 5.261 -4.359 1.00 0.00 H new ATOM 0 HA SER A 17 41.272 2.760 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.143 5.429 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.224 4.092 -3.929 1.00 0.00 H new ATOM 0 HG SER A 17 43.734 5.143 -5.921 1.00 0.00 H new ATOM 278 N LEU A 18 41.049 3.460 -2.085 1.00 0.00 N ATOM 279 CA LEU A 18 41.010 2.789 -0.779 1.00 0.00 C ATOM 280 C LEU A 18 39.804 1.864 -0.687 1.00 0.00 C ATOM 281 O LEU A 18 39.787 0.958 0.150 1.00 0.00 O ATOM 282 CB LEU A 18 41.108 3.782 0.398 1.00 0.00 C ATOM 283 CG LEU A 18 39.818 4.433 0.951 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.539 4.033 2.411 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.904 5.959 0.868 1.00 0.00 C ATOM 0 H LEU A 18 40.897 4.468 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 18 41.899 2.164 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.593 3.263 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.776 4.587 0.092 1.00 0.00 H new ATOM 0 HG LEU A 18 38.999 4.068 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.623 4.516 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.425 2.951 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.371 4.348 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.987 6.397 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.754 6.308 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.033 6.260 -0.172 1.00 0.00 H new ATOM 297 N VAL A 19 38.839 2.130 -1.572 1.00 0.00 N ATOM 298 CA VAL A 19 37.558 1.455 -1.698 1.00 0.00 C ATOM 299 C VAL A 19 37.727 0.113 -2.404 1.00 0.00 C ATOM 300 O VAL A 19 37.372 -0.920 -1.867 1.00 0.00 O ATOM 301 CB VAL A 19 36.647 2.412 -2.476 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.531 1.712 -3.245 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.126 3.559 -1.593 1.00 0.00 C ATOM 0 H VAL A 19 38.946 2.873 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 19 37.120 1.225 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 19 37.279 2.860 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.929 2.454 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 19 35.965 1.021 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.900 1.160 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.485 4.212 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.555 3.147 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.969 4.132 -1.206 1.00 0.00 H new ATOM 313 N ILE A 20 38.267 0.211 -3.633 1.00 0.00 N ATOM 314 CA ILE A 20 38.469 -0.962 -4.476 1.00 0.00 C ATOM 315 C ILE A 20 39.382 -1.971 -3.791 1.00 0.00 C ATOM 316 O ILE A 20 39.075 -3.150 -3.755 1.00 0.00 O ATOM 317 CB ILE A 20 39.022 -0.521 -5.847 1.00 0.00 C ATOM 318 CG1 ILE A 20 37.883 -0.034 -6.750 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.855 -1.584 -6.585 1.00 0.00 C ATOM 320 CD1 ILE A 20 36.903 -1.156 -7.124 1.00 0.00 C ATOM 0 H ILE A 20 38.567 1.090 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 20 37.514 -1.461 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 20 39.713 0.292 -5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.340 0.764 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.304 0.394 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.199 -1.180 -7.537 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.716 -1.859 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.241 -2.466 -6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.117 -0.755 -7.764 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.437 -1.943 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.458 -1.567 -6.218 1.00 0.00 H new ATOM 332 N GLN A 21 40.492 -1.433 -3.254 1.00 0.00 N ATOM 333 CA GLN A 21 41.454 -2.263 -2.540 1.00 0.00 C ATOM 334 C GLN A 21 40.874 -2.787 -1.209 1.00 0.00 C ATOM 335 O GLN A 21 41.233 -3.865 -0.765 1.00 0.00 O ATOM 336 CB GLN A 21 42.736 -1.449 -2.298 1.00 0.00 C ATOM 337 CG GLN A 21 43.847 -2.221 -1.564 1.00 0.00 C ATOM 338 CD GLN A 21 44.332 -3.463 -2.335 1.00 0.00 C ATOM 339 OE1 GLN A 21 44.044 -3.672 -3.499 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.112 -4.269 -1.583 1.00 0.00 N ATOM 0 H GLN A 21 40.735 -0.444 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 21 41.686 -3.136 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN A 21 43.121 -1.106 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.484 -0.560 -1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 21 44.692 -1.554 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.481 -2.529 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.309 -4.027 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.504 -5.120 -1.986 1.00 0.00 H new ATOM 349 N ALA A 22 39.961 -1.980 -0.618 1.00 0.00 N ATOM 350 CA ALA A 22 39.280 -2.393 0.611 1.00 0.00 C ATOM 351 C ALA A 22 38.159 -3.396 0.352 1.00 0.00 C ATOM 352 O ALA A 22 37.705 -4.045 1.282 1.00 0.00 O ATOM 353 CB ALA A 22 38.588 -1.210 1.287 1.00 0.00 C ATOM 0 H ALA A 22 39.690 -1.062 -0.970 1.00 0.00 H new ATOM 0 HA ALA A 22 40.067 -2.828 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.092 -1.550 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.329 -0.451 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.849 -0.784 0.608 1.00 0.00 H new ATOM 359 N TYR A 23 37.724 -3.455 -0.923 1.00 0.00 N ATOM 360 CA TYR A 23 36.634 -4.343 -1.312 1.00 0.00 C ATOM 361 C TYR A 23 37.231 -5.634 -1.882 1.00 0.00 C ATOM 362 O TYR A 23 36.616 -6.681 -1.779 1.00 0.00 O ATOM 363 CB TYR A 23 35.692 -3.642 -2.318 1.00 0.00 C ATOM 364 CG TYR A 23 34.229 -3.955 -2.089 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.513 -3.229 -1.158 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.556 -4.945 -2.794 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.156 -3.452 -0.936 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.211 -5.192 -2.579 1.00 0.00 C ATOM 369 CZ TYR A 23 31.495 -4.426 -1.658 1.00 0.00 C ATOM 370 OH TYR A 23 30.143 -4.617 -1.428 1.00 0.00 O ATOM 0 H TYR A 23 38.112 -2.901 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 23 36.027 -4.596 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.840 -2.564 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.966 -3.941 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 23 34.020 -2.466 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.092 -5.533 -3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.623 -2.866 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.714 -5.980 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 23 30.017 -5.391 -0.840 1.00 0.00 H new ATOM 380 N PHE A 24 38.444 -5.524 -2.466 1.00 0.00 N ATOM 381 CA PHE A 24 39.087 -6.660 -3.133 1.00 0.00 C ATOM 382 C PHE A 24 39.910 -7.472 -2.120 1.00 0.00 C ATOM 383 O PHE A 24 39.950 -8.689 -2.169 1.00 0.00 O ATOM 384 CB PHE A 24 40.027 -6.176 -4.262 1.00 0.00 C ATOM 385 CG PHE A 24 39.521 -6.498 -5.645 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.293 -7.816 -6.031 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.282 -5.481 -6.556 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.826 -8.103 -7.308 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.823 -5.759 -7.838 1.00 0.00 C ATOM 390 CZ PHE A 24 38.593 -7.073 -8.215 1.00 0.00 C ATOM 0 H PHE A 24 38.989 -4.662 -2.485 1.00 0.00 H new ATOM 0 HA PHE A 24 38.302 -7.284 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.161 -5.098 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 24 41.008 -6.632 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.480 -8.620 -5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 24 39.455 -4.456 -6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 24 38.643 -9.127 -7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.646 -4.955 -8.537 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.234 -7.297 -9.209 1.00 0.00 H new ATOM 400 N ALA A 25 40.559 -6.708 -1.211 1.00 0.00 N ATOM 401 CA ALA A 25 41.339 -7.315 -0.136 1.00 0.00 C ATOM 402 C ALA A 25 40.412 -8.009 0.880 1.00 0.00 C ATOM 403 O ALA A 25 40.801 -8.963 1.537 1.00 0.00 O ATOM 404 CB ALA A 25 42.191 -6.245 0.556 1.00 0.00 C ATOM 0 H ALA A 25 40.552 -5.688 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 25 41.999 -8.070 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.771 -6.703 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.868 -5.794 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.541 -5.476 0.973 1.00 0.00 H new ATOM 410 N CYS A 26 39.165 -7.487 0.936 1.00 0.00 N ATOM 411 CA CYS A 26 38.125 -8.087 1.771 1.00 0.00 C ATOM 412 C CYS A 26 37.409 -9.267 1.087 1.00 0.00 C ATOM 413 O CYS A 26 36.457 -9.794 1.646 1.00 0.00 O ATOM 414 CB CYS A 26 37.086 -7.020 2.130 1.00 0.00 C ATOM 415 SG CYS A 26 37.461 -6.331 3.763 1.00 0.00 S ATOM 0 H CYS A 26 38.867 -6.662 0.416 1.00 0.00 H new ATOM 0 HA CYS A 26 38.618 -8.476 2.662 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.089 -6.228 1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.087 -7.456 2.129 1.00 0.00 H new ATOM 0 HG CYS A 26 38.645 -5.794 3.746 1.00 0.00 H new ATOM 421 N GLU A 27 37.877 -9.646 -0.128 1.00 0.00 N ATOM 422 CA GLU A 27 37.211 -10.697 -0.904 1.00 0.00 C ATOM 423 C GLU A 27 35.749 -10.301 -1.226 1.00 0.00 C ATOM 424 O GLU A 27 34.796 -10.965 -0.863 1.00 0.00 O ATOM 425 CB GLU A 27 37.397 -12.062 -0.201 1.00 0.00 C ATOM 426 CG GLU A 27 36.504 -13.225 -0.689 1.00 0.00 C ATOM 427 CD GLU A 27 35.241 -13.455 0.182 1.00 0.00 C ATOM 428 OE1 GLU A 27 35.346 -13.384 1.405 1.00 0.00 O ATOM 429 OE2 GLU A 27 34.166 -13.696 -0.372 1.00 0.00 O ATOM 0 H GLU A 27 38.699 -9.242 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 27 37.677 -10.810 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.438 -12.363 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.220 -11.922 0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 27 36.195 -13.027 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 27 37.094 -14.141 -0.705 1.00 0.00 H new ATOM 436 N LYS A 28 35.666 -9.156 -1.936 1.00 0.00 N ATOM 437 CA LYS A 28 34.443 -8.571 -2.487 1.00 0.00 C ATOM 438 C LYS A 28 33.187 -8.837 -1.617 1.00 0.00 C ATOM 439 O LYS A 28 32.207 -9.411 -2.073 1.00 0.00 O ATOM 440 CB LYS A 28 34.296 -9.076 -3.934 1.00 0.00 C ATOM 441 CG LYS A 28 35.550 -8.872 -4.811 1.00 0.00 C ATOM 442 CD LYS A 28 35.780 -7.417 -5.246 1.00 0.00 C ATOM 443 CE LYS A 28 35.382 -7.150 -6.700 1.00 0.00 C ATOM 444 NZ LYS A 28 35.591 -5.754 -7.077 1.00 0.00 N ATOM 0 H LYS A 28 36.492 -8.595 -2.146 1.00 0.00 H new ATOM 0 HA LYS A 28 34.527 -7.484 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.052 -10.138 -3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.454 -8.565 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.425 -9.218 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.464 -9.497 -5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.210 -6.755 -4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.833 -7.167 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.963 -7.795 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.333 -7.411 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.955 -5.507 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 35.389 -5.140 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 36.578 -5.619 -7.376 1.00 0.00 H new ATOM 458 N ASN A 29 33.311 -8.415 -0.333 1.00 0.00 N ATOM 459 CA ASN A 29 32.306 -8.708 0.692 1.00 0.00 C ATOM 460 C ASN A 29 31.462 -7.441 0.903 1.00 0.00 C ATOM 461 O ASN A 29 31.390 -6.622 -0.001 1.00 0.00 O ATOM 462 CB ASN A 29 33.022 -9.189 1.977 1.00 0.00 C ATOM 463 CG ASN A 29 32.483 -10.547 2.444 1.00 0.00 C ATOM 464 OD1 ASN A 29 32.848 -11.588 1.935 1.00 0.00 O ATOM 465 ND2 ASN A 29 31.585 -10.451 3.449 1.00 0.00 N ATOM 0 H ASN A 29 34.103 -7.870 0.007 1.00 0.00 H new ATOM 0 HA ASN A 29 31.632 -9.510 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.093 -9.266 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.888 -8.451 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.160 -11.294 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 29 31.332 -9.536 3.821 1.00 0.00 H new ATOM 472 N GLU A 30 30.832 -7.300 2.090 1.00 0.00 N ATOM 473 CA GLU A 30 29.951 -6.155 2.341 1.00 0.00 C ATOM 474 C GLU A 30 30.350 -5.465 3.648 1.00 0.00 C ATOM 475 O GLU A 30 31.019 -4.446 3.645 1.00 0.00 O ATOM 476 CB GLU A 30 28.490 -6.626 2.365 1.00 0.00 C ATOM 477 CG GLU A 30 27.972 -7.005 0.969 1.00 0.00 C ATOM 478 CD GLU A 30 26.541 -7.579 1.021 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.272 -8.421 1.878 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.713 -7.181 0.202 1.00 0.00 O ATOM 0 H GLU A 30 30.918 -7.953 2.869 1.00 0.00 H new ATOM 0 HA GLU A 30 30.055 -5.424 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.400 -7.486 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.864 -5.836 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 30 27.987 -6.125 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.641 -7.739 0.521 1.00 0.00 H new ATOM 487 N ASN A 31 29.898 -6.088 4.757 1.00 0.00 N ATOM 488 CA ASN A 31 30.218 -5.591 6.092 1.00 0.00 C ATOM 489 C ASN A 31 31.729 -5.641 6.356 1.00 0.00 C ATOM 490 O ASN A 31 32.211 -4.949 7.237 1.00 0.00 O ATOM 491 CB ASN A 31 29.478 -6.453 7.144 1.00 0.00 C ATOM 492 CG ASN A 31 28.510 -5.634 8.019 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.529 -4.418 8.065 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.655 -6.414 8.716 1.00 0.00 N ATOM 0 H ASN A 31 29.317 -6.926 4.745 1.00 0.00 H new ATOM 0 HA ASN A 31 29.897 -4.552 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 31 28.922 -7.240 6.635 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.211 -6.944 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.964 -5.988 9.334 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.701 -7.429 8.625 1.00 0.00 H new ATOM 501 N LEU A 32 32.423 -6.489 5.559 1.00 0.00 N ATOM 502 CA LEU A 32 33.864 -6.686 5.726 1.00 0.00 C ATOM 503 C LEU A 32 34.631 -5.530 5.080 1.00 0.00 C ATOM 504 O LEU A 32 35.551 -4.975 5.653 1.00 0.00 O ATOM 505 CB LEU A 32 34.263 -8.015 5.053 1.00 0.00 C ATOM 506 CG LEU A 32 35.436 -8.775 5.691 1.00 0.00 C ATOM 507 CD1 LEU A 32 35.355 -8.789 7.222 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.471 -10.203 5.132 1.00 0.00 C ATOM 0 H LEU A 32 32.005 -7.036 4.806 1.00 0.00 H new ATOM 0 HA LEU A 32 34.109 -6.717 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.392 -8.671 5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.514 -7.810 4.012 1.00 0.00 H new ATOM 0 HG LEU A 32 36.360 -8.256 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 32 36.206 -9.338 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.372 -7.766 7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 32 34.430 -9.274 7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.301 -10.749 5.580 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.535 -10.709 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.602 -10.167 4.050 1.00 0.00 H new ATOM 520 N ALA A 33 34.162 -5.218 3.849 1.00 0.00 N ATOM 521 CA ALA A 33 34.713 -4.102 3.096 1.00 0.00 C ATOM 522 C ALA A 33 34.560 -2.789 3.856 1.00 0.00 C ATOM 523 O ALA A 33 35.524 -2.066 4.039 1.00 0.00 O ATOM 524 CB ALA A 33 33.999 -3.971 1.765 1.00 0.00 C ATOM 0 H ALA A 33 33.414 -5.724 3.375 1.00 0.00 H new ATOM 0 HA ALA A 33 35.773 -4.303 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.418 -3.133 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.128 -4.889 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.937 -3.797 1.937 1.00 0.00 H new ATOM 530 N ALA A 34 33.309 -2.546 4.302 1.00 0.00 N ATOM 531 CA ALA A 34 33.053 -1.374 5.136 1.00 0.00 C ATOM 532 C ALA A 34 34.000 -1.367 6.344 1.00 0.00 C ATOM 533 O ALA A 34 34.681 -0.384 6.591 1.00 0.00 O ATOM 534 CB ALA A 34 31.588 -1.336 5.583 1.00 0.00 C ATOM 0 H ALA A 34 32.494 -3.127 4.103 1.00 0.00 H new ATOM 0 HA ALA A 34 33.243 -0.477 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.419 -0.455 6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.941 -1.292 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.360 -2.233 6.158 1.00 0.00 H new ATOM 540 N ASN A 35 34.070 -2.511 7.045 1.00 0.00 N ATOM 541 CA ASN A 35 34.949 -2.579 8.217 1.00 0.00 C ATOM 542 C ASN A 35 36.412 -2.192 7.907 1.00 0.00 C ATOM 543 O ASN A 35 37.081 -1.599 8.737 1.00 0.00 O ATOM 544 CB ASN A 35 34.947 -4.002 8.801 1.00 0.00 C ATOM 545 CG ASN A 35 34.919 -3.952 10.334 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.586 -3.160 10.973 1.00 0.00 O ATOM 547 ND2 ASN A 35 34.061 -4.851 10.861 1.00 0.00 N ATOM 0 H ASN A 35 33.553 -3.364 6.832 1.00 0.00 H new ATOM 0 HA ASN A 35 34.551 -1.857 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.081 -4.552 8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.833 -4.541 8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 33.933 -4.902 11.872 1.00 0.00 H new ATOM 0 HD22 ASN A 35 33.541 -5.479 10.249 1.00 0.00 H new ATOM 554 N PHE A 36 36.850 -2.548 6.673 1.00 0.00 N ATOM 555 CA PHE A 36 38.197 -2.184 6.222 1.00 0.00 C ATOM 556 C PHE A 36 38.362 -0.655 6.253 1.00 0.00 C ATOM 557 O PHE A 36 39.258 -0.147 6.912 1.00 0.00 O ATOM 558 CB PHE A 36 38.456 -2.764 4.815 1.00 0.00 C ATOM 559 CG PHE A 36 39.852 -2.541 4.268 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.298 -1.263 3.930 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.703 -3.618 4.033 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.545 -1.057 3.364 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.957 -3.417 3.465 1.00 0.00 C ATOM 564 CZ PHE A 36 42.379 -2.140 3.126 1.00 0.00 C ATOM 0 H PHE A 36 36.298 -3.074 5.995 1.00 0.00 H new ATOM 0 HA PHE A 36 38.940 -2.611 6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.261 -3.836 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.738 -2.326 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.656 -0.414 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.387 -4.617 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.867 -0.058 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.606 -4.261 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.351 -1.990 2.680 1.00 0.00 H new ATOM 574 N LEU A 37 37.469 0.031 5.501 1.00 0.00 N ATOM 575 CA LEU A 37 37.633 1.462 5.256 1.00 0.00 C ATOM 576 C LEU A 37 37.409 2.310 6.533 1.00 0.00 C ATOM 577 O LEU A 37 38.009 3.364 6.704 1.00 0.00 O ATOM 578 CB LEU A 37 36.677 1.944 4.156 1.00 0.00 C ATOM 579 CG LEU A 37 36.819 1.260 2.780 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.627 0.350 2.496 1.00 0.00 C ATOM 581 CD2 LEU A 37 36.970 2.266 1.626 1.00 0.00 C ATOM 0 H LEU A 37 36.646 -0.385 5.065 1.00 0.00 H new ATOM 0 HA LEU A 37 38.665 1.600 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.654 1.802 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.822 3.016 4.022 1.00 0.00 H new ATOM 0 HG LEU A 37 37.733 0.669 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.752 -0.120 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.566 -0.421 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.710 0.939 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.066 1.727 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.092 2.910 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.860 2.875 1.788 1.00 0.00 H new ATOM 593 N LEU A 38 36.510 1.777 7.398 1.00 0.00 N ATOM 594 CA LEU A 38 36.090 2.482 8.609 1.00 0.00 C ATOM 595 C LEU A 38 37.165 2.335 9.713 1.00 0.00 C ATOM 596 O LEU A 38 37.303 3.172 10.593 1.00 0.00 O ATOM 597 CB LEU A 38 34.709 2.006 9.135 1.00 0.00 C ATOM 598 CG LEU A 38 33.526 1.865 8.136 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.233 2.506 8.656 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.808 2.422 6.744 1.00 0.00 C ATOM 0 H LEU A 38 36.071 0.865 7.270 1.00 0.00 H new ATOM 0 HA LEU A 38 35.980 3.533 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.855 1.036 9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.398 2.700 9.916 1.00 0.00 H new ATOM 0 HG LEU A 38 33.399 0.786 8.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.441 2.378 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.940 2.027 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.398 3.569 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.931 2.283 6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.037 3.485 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.657 1.897 6.307 1.00 0.00 H new ATOM 612 N SER A 39 37.919 1.222 9.570 1.00 0.00 N ATOM 613 CA SER A 39 39.035 0.898 10.453 1.00 0.00 C ATOM 614 C SER A 39 40.272 1.779 10.183 1.00 0.00 C ATOM 615 O SER A 39 41.163 1.852 11.018 1.00 0.00 O ATOM 616 CB SER A 39 39.385 -0.589 10.276 1.00 0.00 C ATOM 617 OG SER A 39 40.506 -0.997 11.036 1.00 0.00 O ATOM 0 H SER A 39 37.762 0.531 8.836 1.00 0.00 H new ATOM 0 HA SER A 39 38.731 1.097 11.481 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.524 -1.194 10.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.579 -0.786 9.222 1.00 0.00 H new ATOM 0 HG SER A 39 40.676 -1.950 10.882 1.00 0.00 H new