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+ -159:sc= -0.0421 (180deg=-0.377) 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 K(o=0,f=-0.59) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 116:sc= -2.78! USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0135) USER MOD Single : A 29 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.37) USER MOD Single : A 31 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.14) USER MOD Single : A 35 ASN : amide:sc= 0.0145 X(o=0.015,f=0) USER MOD Single : A 39 SER OG : rot -48:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.447 -1.535 -9.156 1.00 0.00 N ATOM 36 CA LYS A 3 31.294 -0.076 -9.151 1.00 0.00 C ATOM 37 C LYS A 3 30.119 0.435 -8.291 1.00 0.00 C ATOM 38 O LYS A 3 30.088 1.589 -7.886 1.00 0.00 O ATOM 39 CB LYS A 3 31.163 0.437 -10.590 1.00 0.00 C ATOM 40 CG LYS A 3 30.001 -0.184 -11.387 1.00 0.00 C ATOM 41 CD LYS A 3 29.246 0.837 -12.250 1.00 0.00 C ATOM 42 CE LYS A 3 28.075 1.491 -11.513 1.00 0.00 C ATOM 43 NZ LYS A 3 27.019 0.528 -11.214 1.00 0.00 N ATOM 0 HA LYS A 3 32.195 0.323 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.033 1.519 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.096 0.240 -11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.390 -0.975 -12.028 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.302 -0.651 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 3 29.940 1.611 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.873 0.342 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.433 1.938 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.669 2.300 -12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.125 1.033 -11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.907 -0.125 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 27.272 -0.011 -10.362 1.00 0.00 H new ATOM 57 N GLU A 4 29.179 -0.497 -8.047 1.00 0.00 N ATOM 58 CA GLU A 4 27.973 -0.225 -7.276 1.00 0.00 C ATOM 59 C GLU A 4 28.311 0.068 -5.813 1.00 0.00 C ATOM 60 O GLU A 4 27.823 1.009 -5.212 1.00 0.00 O ATOM 61 CB GLU A 4 27.071 -1.466 -7.364 1.00 0.00 C ATOM 62 CG GLU A 4 25.577 -1.121 -7.454 1.00 0.00 C ATOM 63 CD GLU A 4 24.833 -1.272 -6.113 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.262 -0.682 -5.123 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.824 -1.978 -6.078 1.00 0.00 O ATOM 0 H GLU A 4 29.244 -1.458 -8.384 1.00 0.00 H new ATOM 0 HA GLU A 4 27.468 0.652 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.355 -2.053 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.241 -2.094 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.469 -0.096 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.107 -1.766 -8.197 1.00 0.00 H new ATOM 72 N ALA A 5 29.200 -0.811 -5.303 1.00 0.00 N ATOM 73 CA ALA A 5 29.711 -0.575 -3.968 1.00 0.00 C ATOM 74 C ALA A 5 30.750 0.541 -3.988 1.00 0.00 C ATOM 75 O ALA A 5 31.003 1.119 -2.940 1.00 0.00 O ATOM 76 CB ALA A 5 30.310 -1.844 -3.373 1.00 0.00 C ATOM 0 H ALA A 5 29.554 -1.642 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 5 28.876 -0.270 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.685 -1.634 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.544 -2.618 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.130 -2.189 -4.002 1.00 0.00 H new ATOM 82 N ILE A 6 31.345 0.848 -5.160 1.00 0.00 N ATOM 83 CA ILE A 6 32.429 1.839 -5.155 1.00 0.00 C ATOM 84 C ILE A 6 31.898 3.235 -4.814 1.00 0.00 C ATOM 85 O ILE A 6 32.502 3.940 -4.019 1.00 0.00 O ATOM 86 CB ILE A 6 33.323 1.792 -6.408 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.804 0.349 -6.632 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.526 2.756 -6.305 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.723 0.144 -7.839 1.00 0.00 C ATOM 0 H ILE A 6 31.109 0.449 -6.069 1.00 0.00 H new ATOM 0 HA ILE A 6 33.111 1.561 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 6 32.730 2.122 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.328 0.016 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.931 -0.293 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.126 2.687 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.165 3.777 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.137 2.485 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 6 35.005 -0.907 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 6 34.200 0.440 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.619 0.753 -7.721 1.00 0.00 H new ATOM 101 N GLU A 7 30.738 3.584 -5.390 1.00 0.00 N ATOM 102 CA GLU A 7 30.124 4.872 -5.069 1.00 0.00 C ATOM 103 C GLU A 7 29.547 4.922 -3.635 1.00 0.00 C ATOM 104 O GLU A 7 29.301 5.990 -3.102 1.00 0.00 O ATOM 105 CB GLU A 7 29.039 5.181 -6.109 1.00 0.00 C ATOM 106 CG GLU A 7 27.903 4.143 -6.143 1.00 0.00 C ATOM 107 CD GLU A 7 26.875 4.446 -7.253 1.00 0.00 C ATOM 108 OE1 GLU A 7 27.272 4.547 -8.413 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.689 4.573 -6.946 1.00 0.00 O ATOM 0 H GLU A 7 30.223 3.011 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 7 30.902 5.634 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.616 6.163 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.499 5.236 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.324 3.150 -6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.399 4.126 -5.177 1.00 0.00 H new ATOM 116 N ARG A 8 29.357 3.714 -3.058 1.00 0.00 N ATOM 117 CA ARG A 8 28.797 3.585 -1.716 1.00 0.00 C ATOM 118 C ARG A 8 29.895 3.797 -0.665 1.00 0.00 C ATOM 119 O ARG A 8 29.783 4.661 0.186 1.00 0.00 O ATOM 120 CB ARG A 8 28.145 2.195 -1.603 1.00 0.00 C ATOM 121 CG ARG A 8 26.719 2.208 -1.023 1.00 0.00 C ATOM 122 CD ARG A 8 25.716 1.451 -1.904 1.00 0.00 C ATOM 123 NE ARG A 8 24.779 0.686 -1.093 1.00 0.00 N ATOM 124 CZ ARG A 8 23.656 1.194 -0.545 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.315 2.469 -0.708 1.00 0.00 N ATOM 126 NH2 ARG A 8 22.880 0.387 0.171 1.00 0.00 N ATOM 0 H ARG A 8 29.585 2.827 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 8 28.037 4.346 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.118 1.738 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.773 1.562 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.731 1.763 -0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.388 3.240 -0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.169 2.158 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.251 0.781 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 8 24.986 -0.299 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.909 3.089 -1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.460 2.827 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.139 -0.592 0.295 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.025 0.746 0.596 1.00 0.00 H new ATOM 140 N LEU A 9 30.950 2.965 -0.824 1.00 0.00 N ATOM 141 CA LEU A 9 32.206 2.973 -0.078 1.00 0.00 C ATOM 142 C LEU A 9 32.780 4.415 -0.065 1.00 0.00 C ATOM 143 O LEU A 9 33.088 4.963 0.983 1.00 0.00 O ATOM 144 CB LEU A 9 33.162 1.936 -0.697 1.00 0.00 C ATOM 145 CG LEU A 9 32.637 0.479 -0.686 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.248 -0.299 -1.853 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.856 -0.280 0.622 1.00 0.00 C ATOM 0 H LEU A 9 30.934 2.225 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 9 32.056 2.685 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.370 2.224 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.109 1.970 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 9 31.555 0.558 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.876 -1.324 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.970 0.178 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.334 -0.306 -1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.454 -1.289 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.923 -0.333 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.347 0.240 1.434 1.00 0.00 H new ATOM 159 N LYS A 10 32.842 5.019 -1.267 1.00 0.00 N ATOM 160 CA LYS A 10 33.314 6.406 -1.401 1.00 0.00 C ATOM 161 C LYS A 10 32.390 7.421 -0.697 1.00 0.00 C ATOM 162 O LYS A 10 32.845 8.419 -0.164 1.00 0.00 O ATOM 163 CB LYS A 10 33.364 6.787 -2.879 1.00 0.00 C ATOM 164 CG LYS A 10 34.436 6.033 -3.649 1.00 0.00 C ATOM 165 CD LYS A 10 34.217 6.168 -5.150 1.00 0.00 C ATOM 166 CE LYS A 10 34.682 7.522 -5.684 1.00 0.00 C ATOM 167 NZ LYS A 10 34.401 7.587 -7.109 1.00 0.00 N ATOM 0 H LYS A 10 32.575 4.575 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 10 34.298 6.445 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.392 6.591 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.546 7.858 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.420 6.419 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.420 4.980 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 10 34.754 5.372 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 10 33.159 6.036 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 10 34.170 8.330 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 10 35.749 7.652 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 34.714 8.506 -7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.909 6.823 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.379 7.479 -7.267 1.00 0.00 H new ATOM 181 N ALA A 11 31.075 7.107 -0.748 1.00 0.00 N ATOM 182 CA ALA A 11 30.068 7.995 -0.165 1.00 0.00 C ATOM 183 C ALA A 11 30.167 8.084 1.372 1.00 0.00 C ATOM 184 O ALA A 11 29.675 9.033 1.963 1.00 0.00 O ATOM 185 CB ALA A 11 28.656 7.559 -0.575 1.00 0.00 C ATOM 0 H ALA A 11 30.701 6.262 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 11 30.269 8.991 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.924 8.233 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.566 7.591 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.473 6.543 -0.225 1.00 0.00 H new ATOM 191 N LEU A 12 30.842 7.078 1.978 1.00 0.00 N ATOM 192 CA LEU A 12 31.087 7.106 3.418 1.00 0.00 C ATOM 193 C LEU A 12 32.259 8.069 3.789 1.00 0.00 C ATOM 194 O LEU A 12 32.644 8.141 4.946 1.00 0.00 O ATOM 195 CB LEU A 12 31.412 5.681 3.904 1.00 0.00 C ATOM 196 CG LEU A 12 30.273 4.632 3.926 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.427 3.621 2.788 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.285 3.842 5.239 1.00 0.00 C ATOM 0 H LEU A 12 31.214 6.260 1.495 1.00 0.00 H new ATOM 0 HA LEU A 12 30.187 7.477 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.211 5.290 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.812 5.758 4.915 1.00 0.00 H new ATOM 0 HG LEU A 12 29.339 5.184 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.612 2.898 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.399 4.143 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.379 3.101 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.476 3.111 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.239 3.326 5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.148 4.526 6.076 1.00 0.00 H new ATOM 210 N GLY A 13 32.789 8.799 2.772 1.00 0.00 N ATOM 211 CA GLY A 13 33.826 9.816 2.982 1.00 0.00 C ATOM 212 C GLY A 13 35.233 9.318 2.618 1.00 0.00 C ATOM 213 O GLY A 13 36.223 9.807 3.145 1.00 0.00 O ATOM 0 H GLY A 13 32.506 8.693 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.591 10.696 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.815 10.129 4.026 1.00 0.00 H new ATOM 217 N PHE A 14 35.252 8.310 1.710 1.00 0.00 N ATOM 218 CA PHE A 14 36.486 7.608 1.346 1.00 0.00 C ATOM 219 C PHE A 14 36.871 8.005 -0.095 1.00 0.00 C ATOM 220 O PHE A 14 36.647 9.141 -0.503 1.00 0.00 O ATOM 221 CB PHE A 14 36.273 6.087 1.535 1.00 0.00 C ATOM 222 CG PHE A 14 35.722 5.723 2.895 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.951 6.515 4.024 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.913 4.600 3.024 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.282 6.257 5.209 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.248 4.338 4.213 1.00 0.00 C ATOM 227 CZ PHE A 14 34.407 5.195 5.295 1.00 0.00 C ATOM 0 H PHE A 14 34.422 7.973 1.223 1.00 0.00 H new ATOM 0 HA PHE A 14 37.320 7.890 1.989 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.591 5.725 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.223 5.573 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.654 7.333 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.801 3.924 2.189 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.446 6.890 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.609 3.471 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.846 5.029 6.203 1.00 0.00 H new ATOM 237 N GLU A 15 37.462 7.036 -0.830 1.00 0.00 N ATOM 238 CA GLU A 15 37.964 7.295 -2.182 1.00 0.00 C ATOM 239 C GLU A 15 38.166 5.961 -2.898 1.00 0.00 C ATOM 240 O GLU A 15 38.604 4.990 -2.289 1.00 0.00 O ATOM 241 CB GLU A 15 39.293 8.069 -2.106 1.00 0.00 C ATOM 242 CG GLU A 15 39.641 8.809 -3.405 1.00 0.00 C ATOM 243 CD GLU A 15 40.415 10.108 -3.110 1.00 0.00 C ATOM 244 OE1 GLU A 15 39.774 11.139 -2.911 1.00 0.00 O ATOM 245 OE2 GLU A 15 41.646 10.075 -3.085 1.00 0.00 O ATOM 0 H GLU A 15 37.598 6.078 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 15 37.245 7.898 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.240 8.789 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.097 7.373 -1.866 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.240 8.163 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.727 9.042 -3.951 1.00 0.00 H new ATOM 252 N GLU A 16 37.817 5.981 -4.203 1.00 0.00 N ATOM 253 CA GLU A 16 37.748 4.818 -5.093 1.00 0.00 C ATOM 254 C GLU A 16 38.965 3.855 -4.996 1.00 0.00 C ATOM 255 O GLU A 16 38.848 2.671 -5.285 1.00 0.00 O ATOM 256 CB GLU A 16 37.538 5.307 -6.535 1.00 0.00 C ATOM 257 CG GLU A 16 37.645 4.201 -7.609 1.00 0.00 C ATOM 258 CD GLU A 16 36.833 4.525 -8.878 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.930 5.651 -9.360 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.115 3.652 -9.369 1.00 0.00 O ATOM 0 H GLU A 16 37.566 6.848 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 16 36.901 4.216 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.555 5.773 -6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.274 6.081 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.692 4.061 -7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.295 3.258 -7.190 1.00 0.00 H new ATOM 267 N SER A 17 40.115 4.409 -4.577 1.00 0.00 N ATOM 268 CA SER A 17 41.319 3.604 -4.442 1.00 0.00 C ATOM 269 C SER A 17 41.286 2.781 -3.145 1.00 0.00 C ATOM 270 O SER A 17 41.456 1.576 -3.179 1.00 0.00 O ATOM 271 CB SER A 17 42.530 4.541 -4.452 1.00 0.00 C ATOM 272 OG SER A 17 42.995 4.691 -5.785 1.00 0.00 O ATOM 0 H SER A 17 40.227 5.393 -4.332 1.00 0.00 H new ATOM 0 HA SER A 17 41.384 2.902 -5.273 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.257 5.512 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.322 4.137 -3.821 1.00 0.00 H new ATOM 0 HG SER A 17 43.769 5.292 -5.796 1.00 0.00 H new ATOM 278 N LEU A 18 41.062 3.493 -2.010 1.00 0.00 N ATOM 279 CA LEU A 18 41.023 2.788 -0.721 1.00 0.00 C ATOM 280 C LEU A 18 39.815 1.850 -0.632 1.00 0.00 C ATOM 281 O LEU A 18 39.817 0.895 0.140 1.00 0.00 O ATOM 282 CB LEU A 18 41.132 3.766 0.466 1.00 0.00 C ATOM 283 CG LEU A 18 39.854 4.451 1.006 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.594 4.064 2.469 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.960 5.978 0.918 1.00 0.00 C ATOM 0 H LEU A 18 40.914 4.501 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 18 41.904 2.149 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.588 3.225 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.828 4.554 0.178 1.00 0.00 H new ATOM 0 HG LEU A 18 39.027 4.108 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.690 4.560 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.467 2.984 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.440 4.373 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.046 6.429 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.811 6.318 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.098 6.274 -0.122 1.00 0.00 H new ATOM 297 N VAL A 19 38.826 2.184 -1.476 1.00 0.00 N ATOM 298 CA VAL A 19 37.545 1.519 -1.657 1.00 0.00 C ATOM 299 C VAL A 19 37.723 0.181 -2.375 1.00 0.00 C ATOM 300 O VAL A 19 37.337 -0.858 -1.871 1.00 0.00 O ATOM 301 CB VAL A 19 36.691 2.501 -2.468 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.598 1.826 -3.297 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.157 3.647 -1.594 1.00 0.00 C ATOM 0 H VAL A 19 38.918 2.991 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 19 37.067 1.277 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 19 37.361 2.947 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.036 2.583 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.053 1.132 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.925 1.280 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.557 4.321 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.541 3.237 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.994 4.196 -1.163 1.00 0.00 H new ATOM 313 N ILE A 20 38.316 0.291 -3.584 1.00 0.00 N ATOM 314 CA ILE A 20 38.566 -0.896 -4.393 1.00 0.00 C ATOM 315 C ILE A 20 39.403 -1.897 -3.615 1.00 0.00 C ATOM 316 O ILE A 20 39.016 -3.043 -3.515 1.00 0.00 O ATOM 317 CB ILE A 20 39.198 -0.534 -5.751 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.084 -0.087 -6.710 1.00 0.00 C ATOM 319 CG2 ILE A 20 40.021 -1.686 -6.363 1.00 0.00 C ATOM 320 CD1 ILE A 20 38.556 0.251 -8.123 1.00 0.00 C ATOM 0 H ILE A 20 38.619 1.170 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 20 37.610 -1.368 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 20 39.906 0.279 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.336 -0.878 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 20 37.589 0.788 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.439 -1.367 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.830 -1.955 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.376 -2.551 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE A 20 37.703 0.556 -8.729 1.00 0.00 H new ATOM 0 HD12 ILE A 20 39.280 1.065 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 20 39.023 -0.626 -8.570 1.00 0.00 H new ATOM 332 N GLN A 21 40.533 -1.402 -3.073 1.00 0.00 N ATOM 333 CA GLN A 21 41.429 -2.264 -2.307 1.00 0.00 C ATOM 334 C GLN A 21 40.776 -2.780 -1.006 1.00 0.00 C ATOM 335 O GLN A 21 41.144 -3.831 -0.511 1.00 0.00 O ATOM 336 CB GLN A 21 42.724 -1.509 -1.974 1.00 0.00 C ATOM 337 CG GLN A 21 43.600 -1.264 -3.210 1.00 0.00 C ATOM 338 CD GLN A 21 44.912 -0.544 -2.843 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.052 0.067 -1.800 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.827 -0.608 -3.825 1.00 0.00 N ATOM 0 H GLN A 21 40.835 -0.431 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 21 41.653 -3.132 -2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.474 -0.552 -1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.292 -2.077 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.829 -2.216 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.047 -0.667 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.631 -1.144 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.718 -0.121 -3.725 1.00 0.00 H new ATOM 349 N ALA A 22 39.795 -1.999 -0.500 1.00 0.00 N ATOM 350 CA ALA A 22 39.056 -2.400 0.696 1.00 0.00 C ATOM 351 C ALA A 22 37.938 -3.394 0.387 1.00 0.00 C ATOM 352 O ALA A 22 37.409 -4.002 1.298 1.00 0.00 O ATOM 353 CB ALA A 22 38.344 -1.200 1.319 1.00 0.00 C ATOM 0 H ALA A 22 39.508 -1.106 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 22 39.803 -2.841 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.800 -1.521 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.079 -0.445 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.644 -0.778 0.598 1.00 0.00 H new ATOM 359 N TYR A 23 37.592 -3.493 -0.913 1.00 0.00 N ATOM 360 CA TYR A 23 36.515 -4.377 -1.354 1.00 0.00 C ATOM 361 C TYR A 23 37.114 -5.636 -1.987 1.00 0.00 C ATOM 362 O TYR A 23 36.500 -6.695 -1.944 1.00 0.00 O ATOM 363 CB TYR A 23 35.605 -3.628 -2.347 1.00 0.00 C ATOM 364 CG TYR A 23 34.148 -3.969 -2.168 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.419 -3.300 -1.200 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.502 -4.921 -2.952 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.066 -3.534 -1.017 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.145 -5.165 -2.780 1.00 0.00 C ATOM 369 CZ TYR A 23 31.421 -4.456 -1.823 1.00 0.00 C ATOM 370 OH TYR A 23 30.065 -4.655 -1.634 1.00 0.00 O ATOM 0 H TYR A 23 38.044 -2.972 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 23 35.908 -4.680 -0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.741 -2.554 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.908 -3.870 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.918 -2.577 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 23 34.058 -5.472 -3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.519 -3.002 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.650 -5.906 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 23 29.742 -5.329 -2.268 1.00 0.00 H new ATOM 380 N PHE A 24 38.322 -5.468 -2.569 1.00 0.00 N ATOM 381 CA PHE A 24 38.988 -6.497 -3.367 1.00 0.00 C ATOM 382 C PHE A 24 39.826 -7.398 -2.447 1.00 0.00 C ATOM 383 O PHE A 24 39.837 -8.607 -2.584 1.00 0.00 O ATOM 384 CB PHE A 24 39.896 -5.895 -4.475 1.00 0.00 C ATOM 385 CG PHE A 24 39.368 -6.119 -5.872 1.00 0.00 C ATOM 386 CD1 PHE A 24 38.344 -5.338 -6.399 1.00 0.00 C ATOM 387 CD2 PHE A 24 39.906 -7.135 -6.656 1.00 0.00 C ATOM 388 CE1 PHE A 24 37.850 -5.584 -7.678 1.00 0.00 C ATOM 389 CE2 PHE A 24 39.415 -7.388 -7.929 1.00 0.00 C ATOM 390 CZ PHE A 24 38.383 -6.616 -8.438 1.00 0.00 C ATOM 0 H PHE A 24 38.859 -4.604 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 24 38.211 -7.078 -3.864 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.004 -4.824 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.891 -6.333 -4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.928 -4.533 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 24 40.716 -7.735 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 24 37.054 -4.973 -8.077 1.00 0.00 H new ATOM 0 HE2 PHE A 24 39.837 -8.186 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.994 -6.817 -9.425 1.00 0.00 H new ATOM 400 N ALA A 25 40.516 -6.711 -1.504 1.00 0.00 N ATOM 401 CA ALA A 25 41.290 -7.406 -0.479 1.00 0.00 C ATOM 402 C ALA A 25 40.353 -8.097 0.530 1.00 0.00 C ATOM 403 O ALA A 25 40.706 -9.091 1.145 1.00 0.00 O ATOM 404 CB ALA A 25 42.197 -6.409 0.250 1.00 0.00 C ATOM 0 H ALA A 25 40.545 -5.693 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 25 41.904 -8.167 -0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.773 -6.932 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.878 -5.947 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.586 -5.638 0.720 1.00 0.00 H new ATOM 410 N CYS A 26 39.136 -7.513 0.626 1.00 0.00 N ATOM 411 CA CYS A 26 38.069 -8.081 1.445 1.00 0.00 C ATOM 412 C CYS A 26 37.358 -9.278 0.776 1.00 0.00 C ATOM 413 O CYS A 26 36.452 -9.843 1.373 1.00 0.00 O ATOM 414 CB CYS A 26 37.054 -6.976 1.752 1.00 0.00 C ATOM 415 SG CYS A 26 37.439 -6.203 3.350 1.00 0.00 S ATOM 0 H CYS A 26 38.881 -6.651 0.143 1.00 0.00 H new ATOM 0 HA CYS A 26 38.521 -8.467 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.072 -6.225 0.962 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.047 -7.392 1.774 1.00 0.00 H new ATOM 0 HG CYS A 26 37.765 -4.959 3.163 1.00 0.00 H new ATOM 421 N GLU A 27 37.788 -9.630 -0.463 1.00 0.00 N ATOM 422 CA GLU A 27 37.156 -10.694 -1.250 1.00 0.00 C ATOM 423 C GLU A 27 35.690 -10.333 -1.585 1.00 0.00 C ATOM 424 O GLU A 27 34.755 -11.017 -1.212 1.00 0.00 O ATOM 425 CB GLU A 27 37.336 -12.074 -0.570 1.00 0.00 C ATOM 426 CG GLU A 27 36.463 -13.200 -1.173 1.00 0.00 C ATOM 427 CD GLU A 27 37.043 -14.620 -1.041 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.261 -14.769 -1.087 1.00 0.00 O ATOM 429 OE2 GLU A 27 36.264 -15.568 -0.909 1.00 0.00 O ATOM 0 H GLU A 27 38.576 -9.183 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 27 37.663 -10.780 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.384 -12.366 -0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.102 -11.977 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.486 -13.178 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.302 -12.987 -2.230 1.00 0.00 H new ATOM 436 N LYS A 28 35.581 -9.203 -2.323 1.00 0.00 N ATOM 437 CA LYS A 28 34.340 -8.675 -2.879 1.00 0.00 C ATOM 438 C LYS A 28 33.127 -8.822 -1.930 1.00 0.00 C ATOM 439 O LYS A 28 32.033 -9.198 -2.330 1.00 0.00 O ATOM 440 CB LYS A 28 34.152 -9.281 -4.284 1.00 0.00 C ATOM 441 CG LYS A 28 34.573 -8.317 -5.400 1.00 0.00 C ATOM 442 CD LYS A 28 36.019 -7.819 -5.332 1.00 0.00 C ATOM 443 CE LYS A 28 37.061 -8.943 -5.350 1.00 0.00 C ATOM 444 NZ LYS A 28 36.987 -9.735 -6.564 1.00 0.00 N ATOM 0 H LYS A 28 36.390 -8.624 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 28 34.410 -7.592 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.735 -10.199 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.106 -9.556 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 28 34.423 -8.812 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 33.909 -7.453 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 36.204 -7.151 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.149 -7.230 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 28 38.059 -8.514 -5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.911 -9.590 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 37.741 -10.451 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.062 -10.207 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 37.105 -9.115 -7.391 1.00 0.00 H new ATOM 458 N ASN A 29 33.419 -8.516 -0.642 1.00 0.00 N ATOM 459 CA ASN A 29 32.452 -8.751 0.429 1.00 0.00 C ATOM 460 C ASN A 29 31.640 -7.467 0.617 1.00 0.00 C ATOM 461 O ASN A 29 31.493 -6.732 -0.352 1.00 0.00 O ATOM 462 CB ASN A 29 33.211 -9.217 1.690 1.00 0.00 C ATOM 463 CG ASN A 29 32.379 -10.226 2.492 1.00 0.00 C ATOM 464 OD1 ASN A 29 31.887 -9.965 3.575 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.273 -11.407 1.843 1.00 0.00 N ATOM 0 H ASN A 29 34.304 -8.113 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 29 31.743 -9.545 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.159 -9.670 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.447 -8.356 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 29 31.744 -12.173 2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 29 32.722 -11.532 0.936 1.00 0.00 H new ATOM 472 N GLU A 30 31.118 -7.199 1.829 1.00 0.00 N ATOM 473 CA GLU A 30 30.273 -6.014 2.022 1.00 0.00 C ATOM 474 C GLU A 30 30.558 -5.409 3.402 1.00 0.00 C ATOM 475 O GLU A 30 31.146 -4.350 3.526 1.00 0.00 O ATOM 476 CB GLU A 30 28.783 -6.387 1.888 1.00 0.00 C ATOM 477 CG GLU A 30 28.285 -6.566 0.432 1.00 0.00 C ATOM 478 CD GLU A 30 27.433 -5.400 -0.131 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.918 -4.593 0.642 1.00 0.00 O ATOM 480 OE2 GLU A 30 27.282 -5.321 -1.351 1.00 0.00 O ATOM 0 H GLU A 30 31.262 -7.769 2.663 1.00 0.00 H new ATOM 0 HA GLU A 30 30.504 -5.276 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.605 -7.313 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.185 -5.613 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 29.151 -6.705 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 30 27.696 -7.482 0.378 1.00 0.00 H new ATOM 487 N ASN A 31 30.095 -6.166 4.417 1.00 0.00 N ATOM 488 CA ASN A 31 30.290 -5.788 5.814 1.00 0.00 C ATOM 489 C ASN A 31 31.784 -5.765 6.173 1.00 0.00 C ATOM 490 O ASN A 31 32.184 -5.093 7.110 1.00 0.00 O ATOM 491 CB ASN A 31 29.561 -6.812 6.713 1.00 0.00 C ATOM 492 CG ASN A 31 28.506 -6.140 7.605 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.700 -5.065 8.141 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.371 -6.863 7.720 1.00 0.00 N ATOM 0 H ASN A 31 29.585 -7.040 4.286 1.00 0.00 H new ATOM 0 HA ASN A 31 29.885 -4.788 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.082 -7.567 6.089 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.289 -7.330 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.600 -6.514 8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.285 -7.758 7.238 1.00 0.00 H new ATOM 501 N LEU A 32 32.562 -6.539 5.381 1.00 0.00 N ATOM 502 CA LEU A 32 34.000 -6.614 5.618 1.00 0.00 C ATOM 503 C LEU A 32 34.662 -5.344 5.069 1.00 0.00 C ATOM 504 O LEU A 32 35.532 -4.762 5.689 1.00 0.00 O ATOM 505 CB LEU A 32 34.597 -7.835 4.883 1.00 0.00 C ATOM 506 CG LEU A 32 35.775 -8.531 5.597 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.667 -7.604 6.432 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.260 -9.689 6.448 1.00 0.00 C ATOM 0 H LEU A 32 32.221 -7.099 4.600 1.00 0.00 H new ATOM 0 HA LEU A 32 34.180 -6.710 6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.805 -8.567 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.931 -7.515 3.896 1.00 0.00 H new ATOM 0 HG LEU A 32 36.421 -8.901 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.465 -8.186 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 32 37.101 -6.839 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.070 -7.127 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.098 -10.174 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.562 -9.310 7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.751 -10.411 5.810 1.00 0.00 H new ATOM 520 N ALA A 33 34.183 -4.979 3.852 1.00 0.00 N ATOM 521 CA ALA A 33 34.765 -3.841 3.153 1.00 0.00 C ATOM 522 C ALA A 33 34.559 -2.546 3.921 1.00 0.00 C ATOM 523 O ALA A 33 35.484 -1.777 4.092 1.00 0.00 O ATOM 524 CB ALA A 33 34.198 -3.678 1.756 1.00 0.00 C ATOM 0 H ALA A 33 33.421 -5.447 3.361 1.00 0.00 H new ATOM 0 HA ALA A 33 35.832 -4.051 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.661 -2.817 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.404 -4.575 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.121 -3.524 1.816 1.00 0.00 H new ATOM 530 N ALA A 34 33.305 -2.384 4.399 1.00 0.00 N ATOM 531 CA ALA A 34 33.006 -1.264 5.283 1.00 0.00 C ATOM 532 C ALA A 34 33.955 -1.296 6.488 1.00 0.00 C ATOM 533 O ALA A 34 34.609 -0.308 6.795 1.00 0.00 O ATOM 534 CB ALA A 34 31.543 -1.317 5.738 1.00 0.00 C ATOM 0 H ALA A 34 32.517 -2.997 4.190 1.00 0.00 H new ATOM 0 HA ALA A 34 33.154 -0.329 4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.336 -0.474 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.889 -1.266 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.362 -2.249 6.273 1.00 0.00 H new ATOM 540 N ASN A 35 34.058 -2.479 7.117 1.00 0.00 N ATOM 541 CA ASN A 35 34.954 -2.591 8.271 1.00 0.00 C ATOM 542 C ASN A 35 36.404 -2.160 7.940 1.00 0.00 C ATOM 543 O ASN A 35 37.067 -1.563 8.781 1.00 0.00 O ATOM 544 CB ASN A 35 34.962 -4.031 8.819 1.00 0.00 C ATOM 545 CG ASN A 35 34.884 -4.069 10.358 1.00 0.00 C ATOM 546 OD1 ASN A 35 34.111 -4.809 10.936 1.00 0.00 O ATOM 547 ND2 ASN A 35 35.720 -3.210 10.979 1.00 0.00 N ATOM 0 H ASN A 35 33.558 -3.330 6.860 1.00 0.00 H new ATOM 0 HA ASN A 35 34.566 -1.910 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.120 -4.582 8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.869 -4.538 8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 35 35.729 -3.153 11.997 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.343 -2.618 10.430 1.00 0.00 H new ATOM 554 N PHE A 36 36.850 -2.461 6.701 1.00 0.00 N ATOM 555 CA PHE A 36 38.198 -2.080 6.257 1.00 0.00 C ATOM 556 C PHE A 36 38.335 -0.537 6.247 1.00 0.00 C ATOM 557 O PHE A 36 39.254 0.019 6.823 1.00 0.00 O ATOM 558 CB PHE A 36 38.472 -2.679 4.857 1.00 0.00 C ATOM 559 CG PHE A 36 39.849 -2.393 4.283 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.220 -1.106 3.894 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.760 -3.428 4.076 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.450 -0.850 3.309 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.995 -3.178 3.490 1.00 0.00 C ATOM 564 CZ PHE A 36 42.343 -1.892 3.102 1.00 0.00 C ATOM 0 H PHE A 36 36.300 -2.961 6.002 1.00 0.00 H new ATOM 0 HA PHE A 36 38.939 -2.478 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.337 -3.759 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.722 -2.297 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.532 -0.289 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.503 -4.434 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.712 0.156 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.689 -3.991 3.335 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.302 -1.703 2.642 1.00 0.00 H new ATOM 574 N LEU A 37 37.374 0.099 5.528 1.00 0.00 N ATOM 575 CA LEU A 37 37.464 1.532 5.255 1.00 0.00 C ATOM 576 C LEU A 37 37.112 2.391 6.484 1.00 0.00 C ATOM 577 O LEU A 37 37.365 3.604 6.485 1.00 0.00 O ATOM 578 CB LEU A 37 36.504 1.967 4.148 1.00 0.00 C ATOM 579 CG LEU A 37 36.688 1.326 2.764 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.451 0.516 2.380 1.00 0.00 C ATOM 581 CD2 LEU A 37 36.987 2.358 1.658 1.00 0.00 C ATOM 0 H LEU A 37 36.549 -0.359 5.140 1.00 0.00 H new ATOM 0 HA LEU A 37 38.502 1.688 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.487 1.761 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.589 3.048 4.033 1.00 0.00 H new ATOM 0 HG LEU A 37 37.555 0.670 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.599 0.069 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.289 -0.272 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.581 1.172 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.107 1.845 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.161 3.066 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.905 2.894 1.899 1.00 0.00 H new ATOM 593 N LEU A 38 36.505 1.748 7.490 1.00 0.00 N ATOM 594 CA LEU A 38 36.138 2.443 8.722 1.00 0.00 C ATOM 595 C LEU A 38 37.269 2.235 9.762 1.00 0.00 C ATOM 596 O LEU A 38 37.483 3.044 10.651 1.00 0.00 O ATOM 597 CB LEU A 38 34.761 1.986 9.265 1.00 0.00 C ATOM 598 CG LEU A 38 33.539 1.971 8.298 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.328 2.723 8.867 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.824 2.526 6.902 1.00 0.00 C ATOM 0 H LEU A 38 36.261 0.758 7.472 1.00 0.00 H new ATOM 0 HA LEU A 38 36.030 3.507 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.881 0.978 9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.508 2.631 10.107 1.00 0.00 H new ATOM 0 HG LEU A 38 33.315 0.909 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.505 2.681 8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.019 2.259 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.598 3.763 9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.918 2.476 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.150 3.563 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.608 1.935 6.429 1.00 0.00 H new ATOM 612 N SER A 39 37.979 1.098 9.546 1.00 0.00 N ATOM 613 CA SER A 39 39.110 0.684 10.370 1.00 0.00 C ATOM 614 C SER A 39 40.457 0.924 9.662 1.00 0.00 C ATOM 615 O SER A 39 41.437 0.282 10.011 1.00 0.00 O ATOM 616 CB SER A 39 38.983 -0.814 10.708 1.00 0.00 C ATOM 617 OG SER A 39 39.838 -1.223 11.762 1.00 0.00 O ATOM 0 H SER A 39 37.770 0.449 8.787 1.00 0.00 H new ATOM 0 HA SER A 39 39.091 1.285 11.279 1.00 0.00 H new ATOM 0 HB2 SER A 39 37.951 -1.032 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.208 -1.401 9.818 1.00 0.00 H new ATOM 0 HG SER A 39 40.742 -0.880 11.602 1.00 0.00 H new