USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=4 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= -0.0922 X(o=-0.092,f=-0.58) USER MOD Single : A 23 TYR OH : rot -118:sc= 0.139 USER MOD Single : A 26 CYS SG : rot -19:sc= -3.31! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 31 ASN : amide:sc=-0.00636 X(o=-0.0064,f=-0.085) USER MOD Single : A 35 ASN : amide:sc=-0.00149 X(o=-0.0015,f=0.1) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.319 -2.046 -8.911 1.00 0.00 N ATOM 36 CA LYS A 3 31.304 -0.586 -9.073 1.00 0.00 C ATOM 37 C LYS A 3 30.191 0.135 -8.279 1.00 0.00 C ATOM 38 O LYS A 3 30.274 1.322 -7.996 1.00 0.00 O ATOM 39 CB LYS A 3 31.277 -0.227 -10.562 1.00 0.00 C ATOM 40 CG LYS A 3 30.032 -0.709 -11.325 1.00 0.00 C ATOM 41 CD LYS A 3 28.837 0.249 -11.206 1.00 0.00 C ATOM 42 CE LYS A 3 27.602 -0.270 -11.936 1.00 0.00 C ATOM 43 NZ LYS A 3 26.485 0.654 -11.791 1.00 0.00 N ATOM 0 HA LYS A 3 32.228 -0.214 -8.631 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.348 0.856 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.162 -0.649 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.285 -0.834 -12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.741 -1.690 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 3 28.598 0.398 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.113 1.222 -11.611 1.00 0.00 H new ATOM 0 HE2 LYS A 3 27.830 -0.407 -12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 3 27.325 -1.247 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 25.657 0.279 -12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 26.255 0.765 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 26.745 1.578 -12.190 1.00 0.00 H new ATOM 57 N GLU A 4 29.159 -0.669 -7.952 1.00 0.00 N ATOM 58 CA GLU A 4 27.982 -0.202 -7.242 1.00 0.00 C ATOM 59 C GLU A 4 28.305 0.160 -5.784 1.00 0.00 C ATOM 60 O GLU A 4 27.816 1.128 -5.225 1.00 0.00 O ATOM 61 CB GLU A 4 26.948 -1.334 -7.267 1.00 0.00 C ATOM 62 CG GLU A 4 25.531 -0.762 -7.306 1.00 0.00 C ATOM 63 CD GLU A 4 24.460 -1.855 -7.140 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.548 -2.626 -6.185 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.547 -1.921 -7.963 1.00 0.00 O ATOM 0 H GLU A 4 29.132 -1.663 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 4 27.603 0.698 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.115 -1.968 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.068 -1.964 -6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.418 -0.021 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.376 -0.244 -8.252 1.00 0.00 H new ATOM 72 N ALA A 5 29.179 -0.704 -5.228 1.00 0.00 N ATOM 73 CA ALA A 5 29.683 -0.443 -3.897 1.00 0.00 C ATOM 74 C ALA A 5 30.765 0.644 -3.943 1.00 0.00 C ATOM 75 O ALA A 5 31.091 1.191 -2.898 1.00 0.00 O ATOM 76 CB ALA A 5 30.180 -1.739 -3.244 1.00 0.00 C ATOM 0 H ALA A 5 29.530 -1.552 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 5 28.873 -0.066 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.555 -1.522 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.357 -2.451 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.981 -2.166 -3.847 1.00 0.00 H new ATOM 82 N ILE A 6 31.315 0.972 -5.131 1.00 0.00 N ATOM 83 CA ILE A 6 32.425 1.940 -5.159 1.00 0.00 C ATOM 84 C ILE A 6 31.940 3.383 -4.956 1.00 0.00 C ATOM 85 O ILE A 6 32.699 4.239 -4.524 1.00 0.00 O ATOM 86 CB ILE A 6 33.314 1.809 -6.411 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.754 0.359 -6.626 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.560 2.723 -6.384 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.544 0.186 -7.932 1.00 0.00 C ATOM 0 H ILE A 6 31.027 0.603 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 6 33.058 1.686 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 6 32.690 2.136 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.369 0.038 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.877 -0.287 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 6 35.138 2.577 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.246 3.765 -6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.176 2.473 -5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.837 -0.858 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.921 0.481 -8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.436 0.812 -7.903 1.00 0.00 H new ATOM 101 N GLU A 7 30.652 3.604 -5.257 1.00 0.00 N ATOM 102 CA GLU A 7 30.048 4.906 -4.994 1.00 0.00 C ATOM 103 C GLU A 7 29.483 4.963 -3.562 1.00 0.00 C ATOM 104 O GLU A 7 29.210 6.031 -3.044 1.00 0.00 O ATOM 105 CB GLU A 7 28.965 5.184 -6.046 1.00 0.00 C ATOM 106 CG GLU A 7 27.895 4.081 -6.114 1.00 0.00 C ATOM 107 CD GLU A 7 26.756 4.379 -7.108 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.587 5.533 -7.502 1.00 0.00 O ATOM 109 OE2 GLU A 7 26.044 3.445 -7.477 1.00 0.00 O ATOM 0 H GLU A 7 30.027 2.913 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 7 30.808 5.684 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.484 6.136 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.435 5.288 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.372 3.142 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.470 3.939 -5.121 1.00 0.00 H new ATOM 116 N ARG A 8 29.337 3.755 -2.968 1.00 0.00 N ATOM 117 CA ARG A 8 28.785 3.627 -1.624 1.00 0.00 C ATOM 118 C ARG A 8 29.883 3.816 -0.580 1.00 0.00 C ATOM 119 O ARG A 8 29.781 4.671 0.281 1.00 0.00 O ATOM 120 CB ARG A 8 28.104 2.253 -1.499 1.00 0.00 C ATOM 121 CG ARG A 8 26.684 2.348 -0.918 1.00 0.00 C ATOM 122 CD ARG A 8 25.691 1.405 -1.611 1.00 0.00 C ATOM 123 NE ARG A 8 25.137 0.440 -0.671 1.00 0.00 N ATOM 124 CZ ARG A 8 24.081 -0.335 -1.003 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.510 -0.231 -2.201 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.609 -1.206 -0.118 1.00 0.00 N ATOM 0 H ARG A 8 29.595 2.870 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 8 28.040 4.402 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.060 1.783 -2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.710 1.608 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.716 2.115 0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.327 3.374 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 8 24.884 1.986 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.192 0.879 -2.424 1.00 0.00 H new ATOM 0 HE ARG A 8 25.554 0.348 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 8 23.869 0.440 -2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.713 -0.822 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 8 24.043 -1.285 0.802 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.812 -1.796 -0.358 1.00 0.00 H new ATOM 140 N LEU A 9 30.928 2.979 -0.760 1.00 0.00 N ATOM 141 CA LEU A 9 32.192 3.001 -0.032 1.00 0.00 C ATOM 142 C LEU A 9 32.776 4.433 -0.094 1.00 0.00 C ATOM 143 O LEU A 9 33.102 5.022 0.927 1.00 0.00 O ATOM 144 CB LEU A 9 33.146 1.957 -0.624 1.00 0.00 C ATOM 145 CG LEU A 9 32.622 0.507 -0.617 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.285 -0.259 -1.763 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.811 -0.225 0.711 1.00 0.00 C ATOM 0 H LEU A 9 30.899 2.235 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 9 32.041 2.741 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.374 2.239 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.084 1.990 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 9 31.542 0.554 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.924 -1.287 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.038 0.219 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.366 -0.256 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.415 -1.237 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.873 -0.269 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.280 0.309 1.499 1.00 0.00 H new ATOM 159 N LYS A 10 32.831 4.989 -1.324 1.00 0.00 N ATOM 160 CA LYS A 10 33.269 6.385 -1.457 1.00 0.00 C ATOM 161 C LYS A 10 32.335 7.384 -0.740 1.00 0.00 C ATOM 162 O LYS A 10 32.790 8.388 -0.220 1.00 0.00 O ATOM 163 CB LYS A 10 33.316 6.820 -2.924 1.00 0.00 C ATOM 164 CG LYS A 10 34.631 6.484 -3.626 1.00 0.00 C ATOM 165 CD LYS A 10 34.892 7.446 -4.789 1.00 0.00 C ATOM 166 CE LYS A 10 33.648 7.655 -5.664 1.00 0.00 C ATOM 167 NZ LYS A 10 33.980 7.894 -7.058 1.00 0.00 N ATOM 0 H LYS A 10 32.590 4.517 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 10 34.258 6.407 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.496 6.343 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.150 7.896 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.453 6.539 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.598 5.460 -3.997 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.222 8.407 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.704 7.058 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 10 33.006 6.777 -5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.076 8.500 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 33.106 8.029 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.570 8.747 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 34.502 7.078 -7.435 1.00 0.00 H new ATOM 181 N ALA A 11 31.020 7.067 -0.774 1.00 0.00 N ATOM 182 CA ALA A 11 30.025 7.976 -0.198 1.00 0.00 C ATOM 183 C ALA A 11 30.162 8.121 1.331 1.00 0.00 C ATOM 184 O ALA A 11 29.686 9.091 1.902 1.00 0.00 O ATOM 185 CB ALA A 11 28.602 7.528 -0.551 1.00 0.00 C ATOM 0 H ALA A 11 30.640 6.213 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 11 30.217 8.954 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.883 8.220 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.481 7.519 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.428 6.526 -0.159 1.00 0.00 H new ATOM 191 N LEU A 12 30.851 7.135 1.952 1.00 0.00 N ATOM 192 CA LEU A 12 31.123 7.206 3.384 1.00 0.00 C ATOM 193 C LEU A 12 32.281 8.199 3.710 1.00 0.00 C ATOM 194 O LEU A 12 32.674 8.321 4.862 1.00 0.00 O ATOM 195 CB LEU A 12 31.488 5.804 3.896 1.00 0.00 C ATOM 196 CG LEU A 12 30.360 4.746 3.958 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.503 3.718 2.837 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.390 3.983 5.285 1.00 0.00 C ATOM 0 H LEU A 12 31.216 6.304 1.486 1.00 0.00 H new ATOM 0 HA LEU A 12 30.225 7.573 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.282 5.411 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.904 5.910 4.898 1.00 0.00 H new ATOM 0 HG LEU A 12 29.421 5.290 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.696 2.988 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.453 4.223 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.462 3.209 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.586 3.247 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.349 3.476 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.256 4.683 6.110 1.00 0.00 H new ATOM 210 N GLY A 13 32.789 8.895 2.661 1.00 0.00 N ATOM 211 CA GLY A 13 33.822 9.923 2.816 1.00 0.00 C ATOM 212 C GLY A 13 35.227 9.408 2.468 1.00 0.00 C ATOM 213 O GLY A 13 36.220 9.906 2.982 1.00 0.00 O ATOM 0 H GLY A 13 32.490 8.753 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.582 10.773 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.817 10.286 3.844 1.00 0.00 H new ATOM 217 N PHE A 14 35.238 8.373 1.589 1.00 0.00 N ATOM 218 CA PHE A 14 36.467 7.656 1.243 1.00 0.00 C ATOM 219 C PHE A 14 36.878 8.033 -0.198 1.00 0.00 C ATOM 220 O PHE A 14 36.690 9.174 -0.619 1.00 0.00 O ATOM 221 CB PHE A 14 36.236 6.137 1.451 1.00 0.00 C ATOM 222 CG PHE A 14 35.694 5.781 2.819 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.883 6.604 3.931 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.941 4.620 2.970 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.242 6.331 5.125 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.302 4.342 4.168 1.00 0.00 C ATOM 227 CZ PHE A 14 34.429 5.223 5.237 1.00 0.00 C ATOM 0 H PHE A 14 34.405 8.026 1.114 1.00 0.00 H new ATOM 0 HA PHE A 14 37.298 7.939 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.542 5.778 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.178 5.612 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.536 7.461 3.858 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.854 3.929 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.378 6.987 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.708 3.446 4.271 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.891 5.039 6.155 1.00 0.00 H new ATOM 237 N GLU A 15 37.450 7.044 -0.916 1.00 0.00 N ATOM 238 CA GLU A 15 37.970 7.250 -2.269 1.00 0.00 C ATOM 239 C GLU A 15 38.069 5.889 -2.951 1.00 0.00 C ATOM 240 O GLU A 15 38.459 4.908 -2.323 1.00 0.00 O ATOM 241 CB GLU A 15 39.370 7.890 -2.238 1.00 0.00 C ATOM 242 CG GLU A 15 39.697 8.685 -3.512 1.00 0.00 C ATOM 243 CD GLU A 15 39.318 10.173 -3.388 1.00 0.00 C ATOM 244 OE1 GLU A 15 39.758 10.815 -2.434 1.00 0.00 O ATOM 245 OE2 GLU A 15 38.599 10.677 -4.251 1.00 0.00 O ATOM 0 H GLU A 15 37.560 6.090 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 15 37.299 7.919 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.441 8.552 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.118 7.108 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.762 8.601 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.166 8.247 -4.357 1.00 0.00 H new ATOM 252 N GLU A 16 37.714 5.890 -4.249 1.00 0.00 N ATOM 253 CA GLU A 16 37.603 4.695 -5.086 1.00 0.00 C ATOM 254 C GLU A 16 38.870 3.786 -5.052 1.00 0.00 C ATOM 255 O GLU A 16 38.793 2.611 -5.382 1.00 0.00 O ATOM 256 CB GLU A 16 37.192 5.114 -6.507 1.00 0.00 C ATOM 257 CG GLU A 16 37.517 4.097 -7.617 1.00 0.00 C ATOM 258 CD GLU A 16 36.712 4.315 -8.911 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.104 5.373 -9.074 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.698 3.409 -9.744 1.00 0.00 O ATOM 0 H GLU A 16 37.492 6.749 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 16 36.822 4.058 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.119 5.304 -6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.684 6.057 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.581 4.152 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.323 3.091 -7.244 1.00 0.00 H new ATOM 267 N SER A 17 40.015 4.360 -4.625 1.00 0.00 N ATOM 268 CA SER A 17 41.235 3.568 -4.501 1.00 0.00 C ATOM 269 C SER A 17 41.238 2.760 -3.192 1.00 0.00 C ATOM 270 O SER A 17 41.438 1.558 -3.209 1.00 0.00 O ATOM 271 CB SER A 17 42.450 4.511 -4.520 1.00 0.00 C ATOM 272 OG SER A 17 43.087 4.567 -5.782 1.00 0.00 O ATOM 0 H SER A 17 40.110 5.343 -4.369 1.00 0.00 H new ATOM 0 HA SER A 17 41.284 2.869 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.129 5.513 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.170 4.182 -3.770 1.00 0.00 H new ATOM 0 HG SER A 17 43.849 5.181 -5.737 1.00 0.00 H new ATOM 278 N LEU A 18 41.012 3.492 -2.070 1.00 0.00 N ATOM 279 CA LEU A 18 40.979 2.809 -0.769 1.00 0.00 C ATOM 280 C LEU A 18 39.782 1.871 -0.685 1.00 0.00 C ATOM 281 O LEU A 18 39.787 0.930 0.121 1.00 0.00 O ATOM 282 CB LEU A 18 41.077 3.795 0.416 1.00 0.00 C ATOM 283 CG LEU A 18 39.792 4.483 0.938 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.518 4.161 2.417 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.887 6.001 0.782 1.00 0.00 C ATOM 0 H LEU A 18 40.859 4.500 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 18 41.871 2.188 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.524 3.258 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.777 4.581 0.131 1.00 0.00 H new ATOM 0 HG LEU A 18 38.971 4.093 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.607 4.666 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.398 3.085 2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.355 4.504 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.973 6.463 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.740 6.373 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.016 6.251 -0.271 1.00 0.00 H new ATOM 297 N VAL A 19 38.805 2.151 -1.544 1.00 0.00 N ATOM 298 CA VAL A 19 37.537 1.456 -1.702 1.00 0.00 C ATOM 299 C VAL A 19 37.730 0.114 -2.411 1.00 0.00 C ATOM 300 O VAL A 19 37.360 -0.924 -1.896 1.00 0.00 O ATOM 301 CB VAL A 19 36.661 2.402 -2.527 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.594 1.717 -3.373 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.088 3.571 -1.705 1.00 0.00 C ATOM 0 H VAL A 19 38.889 2.930 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 19 37.079 1.221 -0.741 1.00 0.00 H new ATOM 0 HB VAL A 19 37.357 2.831 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.025 2.469 -3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.071 1.037 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.922 1.154 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.477 4.203 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.475 3.179 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.906 4.159 -1.290 1.00 0.00 H new ATOM 313 N ILE A 20 38.303 0.225 -3.629 1.00 0.00 N ATOM 314 CA ILE A 20 38.548 -0.945 -4.465 1.00 0.00 C ATOM 315 C ILE A 20 39.407 -1.956 -3.720 1.00 0.00 C ATOM 316 O ILE A 20 39.052 -3.117 -3.627 1.00 0.00 O ATOM 317 CB ILE A 20 39.187 -0.509 -5.801 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.107 -0.057 -6.789 1.00 0.00 C ATOM 319 CG2 ILE A 20 40.102 -1.560 -6.464 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.198 -1.207 -7.236 1.00 0.00 C ATOM 0 H ILE A 20 38.598 1.109 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 20 37.602 -1.435 -4.695 1.00 0.00 H new ATOM 0 HB ILE A 20 39.842 0.323 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.500 0.722 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.583 0.386 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.502 -1.159 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.924 -1.803 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.527 -2.462 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.451 -0.830 -7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.797 -1.976 -7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.698 -1.634 -6.367 1.00 0.00 H new ATOM 332 N GLN A 21 40.525 -1.432 -3.190 1.00 0.00 N ATOM 333 CA GLN A 21 41.468 -2.262 -2.457 1.00 0.00 C ATOM 334 C GLN A 21 40.887 -2.770 -1.116 1.00 0.00 C ATOM 335 O GLN A 21 41.323 -3.786 -0.602 1.00 0.00 O ATOM 336 CB GLN A 21 42.753 -1.452 -2.249 1.00 0.00 C ATOM 337 CG GLN A 21 43.956 -2.333 -1.858 1.00 0.00 C ATOM 338 CD GLN A 21 45.190 -2.029 -2.733 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.382 -0.934 -3.225 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.976 -3.105 -2.930 1.00 0.00 N ATOM 0 H GLN A 21 40.787 -0.449 -3.259 1.00 0.00 H new ATOM 0 HA GLN A 21 41.684 -3.159 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.988 -0.910 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.586 -0.707 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 21 44.203 -2.168 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.687 -3.384 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.748 -3.992 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.799 -3.033 -3.528 1.00 0.00 H new ATOM 349 N ALA A 22 39.879 -2.022 -0.605 1.00 0.00 N ATOM 350 CA ALA A 22 39.173 -2.422 0.614 1.00 0.00 C ATOM 351 C ALA A 22 38.028 -3.399 0.351 1.00 0.00 C ATOM 352 O ALA A 22 37.526 -3.993 1.290 1.00 0.00 O ATOM 353 CB ALA A 22 38.495 -1.221 1.270 1.00 0.00 C ATOM 0 H ALA A 22 39.547 -1.151 -1.019 1.00 0.00 H new ATOM 0 HA ALA A 22 39.943 -2.877 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.977 -1.544 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.247 -0.476 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.776 -0.785 0.576 1.00 0.00 H new ATOM 359 N TYR A 23 37.627 -3.501 -0.932 1.00 0.00 N ATOM 360 CA TYR A 23 36.535 -4.390 -1.328 1.00 0.00 C ATOM 361 C TYR A 23 37.110 -5.611 -2.054 1.00 0.00 C ATOM 362 O TYR A 23 36.407 -6.589 -2.232 1.00 0.00 O ATOM 363 CB TYR A 23 35.546 -3.643 -2.244 1.00 0.00 C ATOM 364 CG TYR A 23 34.091 -3.992 -2.008 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.359 -3.293 -1.067 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.440 -4.983 -2.730 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.017 -3.560 -0.839 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.096 -5.270 -2.521 1.00 0.00 C ATOM 369 CZ TYR A 23 31.380 -4.547 -1.571 1.00 0.00 C ATOM 370 OH TYR A 23 30.040 -4.780 -1.333 1.00 0.00 O ATOM 0 H TYR A 23 38.045 -2.979 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 23 35.999 -4.720 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.678 -2.570 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.796 -3.861 -3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.845 -2.518 -0.493 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.990 -5.544 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.472 -3.000 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.611 -6.048 -3.091 1.00 0.00 H new ATOM 0 HH TYR A 23 29.920 -5.698 -1.011 1.00 0.00 H new ATOM 380 N PHE A 24 38.386 -5.531 -2.474 1.00 0.00 N ATOM 381 CA PHE A 24 39.011 -6.634 -3.206 1.00 0.00 C ATOM 382 C PHE A 24 39.861 -7.467 -2.236 1.00 0.00 C ATOM 383 O PHE A 24 39.894 -8.680 -2.314 1.00 0.00 O ATOM 384 CB PHE A 24 39.903 -6.096 -4.344 1.00 0.00 C ATOM 385 CG PHE A 24 39.377 -6.378 -5.727 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.425 -7.670 -6.239 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.867 -5.358 -6.520 1.00 0.00 C ATOM 388 CE1 PHE A 24 39.016 -7.930 -7.541 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.465 -5.607 -7.827 1.00 0.00 C ATOM 390 CZ PHE A 24 38.550 -6.894 -8.342 1.00 0.00 C ATOM 0 H PHE A 24 38.992 -4.725 -2.319 1.00 0.00 H new ATOM 0 HA PHE A 24 38.229 -7.255 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 24 40.016 -5.019 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.897 -6.534 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.783 -8.478 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.782 -4.360 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.060 -8.936 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.088 -4.802 -8.440 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.255 -7.089 -9.362 1.00 0.00 H new ATOM 400 N ALA A 25 40.530 -6.723 -1.321 1.00 0.00 N ATOM 401 CA ALA A 25 41.304 -7.372 -0.266 1.00 0.00 C ATOM 402 C ALA A 25 40.371 -8.063 0.751 1.00 0.00 C ATOM 403 O ALA A 25 40.748 -9.031 1.394 1.00 0.00 O ATOM 404 CB ALA A 25 42.193 -6.340 0.437 1.00 0.00 C ATOM 0 H ALA A 25 40.543 -5.703 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 25 41.937 -8.136 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.768 -6.830 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.875 -5.894 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.569 -5.561 0.876 1.00 0.00 H new ATOM 410 N CYS A 26 39.135 -7.517 0.821 1.00 0.00 N ATOM 411 CA CYS A 26 38.079 -8.088 1.658 1.00 0.00 C ATOM 412 C CYS A 26 37.319 -9.237 0.963 1.00 0.00 C ATOM 413 O CYS A 26 36.331 -9.721 1.499 1.00 0.00 O ATOM 414 CB CYS A 26 37.087 -6.978 2.018 1.00 0.00 C ATOM 415 SG CYS A 26 37.491 -6.276 3.639 1.00 0.00 S ATOM 0 H CYS A 26 38.854 -6.683 0.305 1.00 0.00 H new ATOM 0 HA CYS A 26 38.552 -8.506 2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.114 -6.196 1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.073 -7.377 2.029 1.00 0.00 H new ATOM 0 HG CYS A 26 38.245 -7.107 4.296 1.00 0.00 H new ATOM 421 N GLU A 27 37.802 -9.632 -0.241 1.00 0.00 N ATOM 422 CA GLU A 27 37.155 -10.687 -1.026 1.00 0.00 C ATOM 423 C GLU A 27 35.686 -10.329 -1.374 1.00 0.00 C ATOM 424 O GLU A 27 34.757 -11.066 -1.099 1.00 0.00 O ATOM 425 CB GLU A 27 37.331 -12.056 -0.330 1.00 0.00 C ATOM 426 CG GLU A 27 36.485 -13.194 -0.943 1.00 0.00 C ATOM 427 CD GLU A 27 37.059 -14.603 -0.725 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.269 -14.777 -0.849 1.00 0.00 O ATOM 429 OE2 GLU A 27 36.282 -15.519 -0.446 1.00 0.00 O ATOM 0 H GLU A 27 38.632 -9.233 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 27 37.652 -10.769 -1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.383 -12.339 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.070 -11.951 0.723 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.482 -13.154 -0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.384 -13.018 -2.014 1.00 0.00 H new ATOM 436 N LYS A 28 35.569 -9.139 -2.007 1.00 0.00 N ATOM 437 CA LYS A 28 34.340 -8.580 -2.577 1.00 0.00 C ATOM 438 C LYS A 28 33.076 -8.991 -1.807 1.00 0.00 C ATOM 439 O LYS A 28 32.119 -9.520 -2.354 1.00 0.00 O ATOM 440 CB LYS A 28 34.276 -8.944 -4.066 1.00 0.00 C ATOM 441 CG LYS A 28 35.567 -8.652 -4.858 1.00 0.00 C ATOM 442 CD LYS A 28 35.716 -7.191 -5.307 1.00 0.00 C ATOM 443 CE LYS A 28 35.631 -7.041 -6.824 1.00 0.00 C ATOM 444 NZ LYS A 28 34.286 -7.232 -7.320 1.00 0.00 N ATOM 0 H LYS A 28 36.370 -8.521 -2.136 1.00 0.00 H new ATOM 0 HA LYS A 28 34.372 -7.495 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 28 34.043 -10.005 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.453 -8.396 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.426 -8.920 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.593 -9.295 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 28 34.937 -6.588 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.672 -6.802 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.984 -6.050 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.296 -7.764 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.278 -7.121 -8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 33.957 -8.187 -7.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 33.654 -6.526 -6.891 1.00 0.00 H new ATOM 458 N ASN A 29 33.180 -8.720 -0.484 1.00 0.00 N ATOM 459 CA ASN A 29 32.113 -9.058 0.442 1.00 0.00 C ATOM 460 C ASN A 29 31.163 -7.853 0.504 1.00 0.00 C ATOM 461 O ASN A 29 30.338 -7.698 -0.388 1.00 0.00 O ATOM 462 CB ASN A 29 32.714 -9.525 1.794 1.00 0.00 C ATOM 463 CG ASN A 29 32.580 -11.049 1.982 1.00 0.00 C ATOM 464 OD1 ASN A 29 31.607 -11.534 2.524 1.00 0.00 O ATOM 465 ND2 ASN A 29 33.625 -11.765 1.510 1.00 0.00 N ATOM 0 H ASN A 29 33.989 -8.273 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 29 31.515 -9.909 0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.766 -9.244 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.210 -9.012 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 29 33.629 -12.781 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 29 34.410 -11.289 1.065 1.00 0.00 H new ATOM 472 N GLU A 30 31.294 -7.038 1.576 1.00 0.00 N ATOM 473 CA GLU A 30 30.335 -5.957 1.823 1.00 0.00 C ATOM 474 C GLU A 30 30.593 -5.367 3.213 1.00 0.00 C ATOM 475 O GLU A 30 31.240 -4.342 3.356 1.00 0.00 O ATOM 476 CB GLU A 30 28.859 -6.388 1.664 1.00 0.00 C ATOM 477 CG GLU A 30 28.560 -7.837 2.133 1.00 0.00 C ATOM 478 CD GLU A 30 27.300 -7.979 3.002 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.927 -7.023 3.679 1.00 0.00 O ATOM 480 OE2 GLU A 30 26.709 -9.059 3.000 1.00 0.00 O ATOM 0 H GLU A 30 32.041 -7.112 2.266 1.00 0.00 H new ATOM 0 HA GLU A 30 30.494 -5.198 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.229 -5.699 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.576 -6.293 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.454 -8.475 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 30 29.417 -8.208 2.695 1.00 0.00 H new ATOM 487 N ASN A 31 30.045 -6.080 4.218 1.00 0.00 N ATOM 488 CA ASN A 31 30.188 -5.705 5.621 1.00 0.00 C ATOM 489 C ASN A 31 31.667 -5.731 6.041 1.00 0.00 C ATOM 490 O ASN A 31 32.058 -5.077 6.997 1.00 0.00 O ATOM 491 CB ASN A 31 29.389 -6.716 6.477 1.00 0.00 C ATOM 492 CG ASN A 31 28.255 -6.027 7.249 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.503 -5.235 6.717 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.195 -6.392 8.550 1.00 0.00 N ATOM 0 H ASN A 31 29.495 -6.926 4.071 1.00 0.00 H new ATOM 0 HA ASN A 31 29.809 -4.694 5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 31 28.974 -7.491 5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.060 -7.211 7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 31 27.480 -5.994 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 31 28.865 -7.065 8.922 1.00 0.00 H new ATOM 501 N LEU A 32 32.444 -6.523 5.269 1.00 0.00 N ATOM 502 CA LEU A 32 33.869 -6.638 5.541 1.00 0.00 C ATOM 503 C LEU A 32 34.595 -5.384 5.027 1.00 0.00 C ATOM 504 O LEU A 32 35.454 -4.831 5.688 1.00 0.00 O ATOM 505 CB LEU A 32 34.435 -7.882 4.828 1.00 0.00 C ATOM 506 CG LEU A 32 35.480 -8.666 5.643 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.391 -7.794 6.516 1.00 0.00 C ATOM 508 CD2 LEU A 32 34.776 -9.715 6.499 1.00 0.00 C ATOM 0 H LEU A 32 32.109 -7.072 4.478 1.00 0.00 H new ATOM 0 HA LEU A 32 34.022 -6.734 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.610 -8.550 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.887 -7.571 3.886 1.00 0.00 H new ATOM 0 HG LEU A 32 36.141 -9.138 4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.095 -8.429 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 32 36.941 -7.096 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 35.785 -7.237 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 35.516 -10.270 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.080 -9.223 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.228 -10.403 5.855 1.00 0.00 H new ATOM 520 N ALA A 33 34.182 -4.996 3.796 1.00 0.00 N ATOM 521 CA ALA A 33 34.815 -3.860 3.142 1.00 0.00 C ATOM 522 C ALA A 33 34.612 -2.568 3.925 1.00 0.00 C ATOM 523 O ALA A 33 35.551 -1.828 4.155 1.00 0.00 O ATOM 524 CB ALA A 33 34.265 -3.669 1.745 1.00 0.00 C ATOM 0 H ALA A 33 33.437 -5.445 3.263 1.00 0.00 H new ATOM 0 HA ALA A 33 35.881 -4.081 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.753 -2.815 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.455 -4.565 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.191 -3.490 1.798 1.00 0.00 H new ATOM 530 N ALA A 34 33.343 -2.372 4.348 1.00 0.00 N ATOM 531 CA ALA A 34 33.040 -1.256 5.240 1.00 0.00 C ATOM 532 C ALA A 34 33.961 -1.300 6.464 1.00 0.00 C ATOM 533 O ALA A 34 34.603 -0.315 6.806 1.00 0.00 O ATOM 534 CB ALA A 34 31.569 -1.298 5.667 1.00 0.00 C ATOM 0 H ALA A 34 32.546 -2.954 4.092 1.00 0.00 H new ATOM 0 HA ALA A 34 33.213 -0.321 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.359 -0.460 6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.932 -1.230 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.368 -2.234 6.189 1.00 0.00 H new ATOM 540 N ASN A 35 34.056 -2.490 7.069 1.00 0.00 N ATOM 541 CA ASN A 35 34.934 -2.612 8.231 1.00 0.00 C ATOM 542 C ASN A 35 36.399 -2.215 7.929 1.00 0.00 C ATOM 543 O ASN A 35 37.061 -1.637 8.774 1.00 0.00 O ATOM 544 CB ASN A 35 34.889 -4.051 8.764 1.00 0.00 C ATOM 545 CG ASN A 35 34.854 -4.029 10.299 1.00 0.00 C ATOM 546 OD1 ASN A 35 35.613 -3.340 10.954 1.00 0.00 O ATOM 547 ND2 ASN A 35 33.881 -4.813 10.809 1.00 0.00 N ATOM 0 H ASN A 35 33.563 -3.339 6.791 1.00 0.00 H new ATOM 0 HA ASN A 35 34.564 -1.914 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.010 -4.566 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.761 -4.606 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 35 33.739 -4.859 11.818 1.00 0.00 H new ATOM 0 HD22 ASN A 35 33.287 -5.360 10.185 1.00 0.00 H new ATOM 554 N PHE A 36 36.848 -2.535 6.693 1.00 0.00 N ATOM 555 CA PHE A 36 38.205 -2.184 6.261 1.00 0.00 C ATOM 556 C PHE A 36 38.391 -0.647 6.261 1.00 0.00 C ATOM 557 O PHE A 36 39.345 -0.127 6.822 1.00 0.00 O ATOM 558 CB PHE A 36 38.463 -2.802 4.868 1.00 0.00 C ATOM 559 CG PHE A 36 39.838 -2.543 4.285 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.214 -1.266 3.877 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.736 -3.590 4.090 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.443 -1.028 3.281 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.971 -3.357 3.495 1.00 0.00 C ATOM 564 CZ PHE A 36 42.326 -2.079 3.086 1.00 0.00 C ATOM 0 H PHE A 36 36.294 -3.028 5.993 1.00 0.00 H new ATOM 0 HA PHE A 36 38.938 -2.590 6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.312 -3.880 4.934 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.715 -2.417 4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.533 -0.442 4.028 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.471 -4.589 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.711 -0.029 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.659 -4.177 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.284 -1.904 2.619 1.00 0.00 H new ATOM 574 N LEU A 37 37.437 0.028 5.578 1.00 0.00 N ATOM 575 CA LEU A 37 37.580 1.451 5.290 1.00 0.00 C ATOM 576 C LEU A 37 37.386 2.323 6.554 1.00 0.00 C ATOM 577 O LEU A 37 37.966 3.394 6.676 1.00 0.00 O ATOM 578 CB LEU A 37 36.573 1.874 4.211 1.00 0.00 C ATOM 579 CG LEU A 37 36.745 1.219 2.822 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.519 0.392 2.431 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.035 2.241 1.708 1.00 0.00 C ATOM 0 H LEU A 37 36.577 -0.393 5.226 1.00 0.00 H new ATOM 0 HA LEU A 37 38.597 1.609 4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.569 1.651 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.635 2.955 4.090 1.00 0.00 H new ATOM 0 HG LEU A 37 37.611 0.565 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.678 -0.052 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.364 -0.398 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.640 1.036 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.146 1.721 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.209 2.949 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.956 2.778 1.937 1.00 0.00 H new ATOM 593 N LEU A 38 36.534 1.792 7.469 1.00 0.00 N ATOM 594 CA LEU A 38 36.150 2.519 8.680 1.00 0.00 C ATOM 595 C LEU A 38 37.215 2.317 9.785 1.00 0.00 C ATOM 596 O LEU A 38 37.397 3.150 10.659 1.00 0.00 O ATOM 597 CB LEU A 38 34.749 2.108 9.209 1.00 0.00 C ATOM 598 CG LEU A 38 33.556 2.043 8.214 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.309 2.777 8.718 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.882 2.546 6.812 1.00 0.00 C ATOM 0 H LEU A 38 36.109 0.869 7.381 1.00 0.00 H new ATOM 0 HA LEU A 38 36.093 3.574 8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.847 1.125 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.479 2.806 10.001 1.00 0.00 H new ATOM 0 HG LEU A 38 33.346 0.975 8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.514 2.694 7.977 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.979 2.332 9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.546 3.829 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.996 2.466 6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.198 3.588 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.685 1.944 6.387 1.00 0.00 H new ATOM 612 N SER A 39 37.906 1.157 9.654 1.00 0.00 N ATOM 613 CA SER A 39 38.993 0.773 10.553 1.00 0.00 C ATOM 614 C SER A 39 40.250 1.628 10.302 1.00 0.00 C ATOM 615 O SER A 39 41.060 1.808 11.199 1.00 0.00 O ATOM 616 CB SER A 39 39.307 -0.722 10.352 1.00 0.00 C ATOM 617 OG SER A 39 40.436 -1.195 11.066 1.00 0.00 O ATOM 0 H SER A 39 37.717 0.473 8.922 1.00 0.00 H new ATOM 0 HA SER A 39 38.680 0.946 11.583 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.436 -1.305 10.651 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.464 -0.906 9.289 1.00 0.00 H new ATOM 0 HG SER A 39 40.562 -2.150 10.883 1.00 0.00 H new