USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 Set 1.1: A 44 GLN : amide:sc= -0.575 K(o=-0.58,f=-2.8) USER MOD Set 1.2: A 56 LYS NZ :NH3+ 154:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 16 TYR OH : rot 98:sc= 0.523 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -3.14 F(o=-7.5!,f=-3.1) USER MOD Single : A 36 LYS NZ :NH3+ 151:sc= -0.0972 (180deg=-0.672) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.1!) USER MOD Single : A 39 THR OG1 : rot -43:sc= 0.844 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.22) USER MOD Single : A 55 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.1!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-9.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.301 6.421 3.744 1.00 0.00 N ATOM 67 CA GLU A 8 2.074 5.775 2.696 1.00 0.00 C ATOM 68 C GLU A 8 1.141 5.157 1.653 1.00 0.00 C ATOM 69 O GLU A 8 0.301 4.322 1.983 1.00 0.00 O ATOM 70 CB GLU A 8 3.017 4.722 3.281 1.00 0.00 C ATOM 71 CG GLU A 8 4.451 5.249 3.353 1.00 0.00 C ATOM 72 CD GLU A 8 5.458 4.098 3.391 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.163 3.110 4.098 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.500 4.232 2.714 1.00 0.00 O ATOM 0 HA GLU A 8 2.687 6.531 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.679 4.440 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.987 3.821 2.668 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.652 5.884 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.570 5.870 4.241 1.00 0.00 H new ATOM 81 N ILE A 9 1.321 5.591 0.414 1.00 0.00 N ATOM 82 CA ILE A 9 0.506 5.091 -0.680 1.00 0.00 C ATOM 83 C ILE A 9 1.264 3.979 -1.408 1.00 0.00 C ATOM 84 O ILE A 9 2.476 4.069 -1.596 1.00 0.00 O ATOM 85 CB ILE A 9 0.073 6.239 -1.594 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.069 7.039 -0.964 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.289 5.724 -2.988 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.356 6.212 -0.914 1.00 0.00 C ATOM 0 H ILE A 9 2.019 6.283 0.144 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.416 4.653 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 9 0.917 6.919 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.790 7.345 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.240 7.950 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.593 6.560 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.578 5.233 -3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.110 5.011 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.152 6.804 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.645 5.928 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.189 5.314 -0.319 1.00 0.00 H new ATOM 100 N ALA A 10 0.518 2.955 -1.798 1.00 0.00 N ATOM 101 CA ALA A 10 1.104 1.827 -2.501 1.00 0.00 C ATOM 102 C ALA A 10 0.362 1.613 -3.821 1.00 0.00 C ATOM 103 O ALA A 10 -0.865 1.687 -3.867 1.00 0.00 O ATOM 104 CB ALA A 10 1.065 0.589 -1.602 1.00 0.00 C ATOM 0 H ALA A 10 -0.487 2.884 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 10 2.149 2.024 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.505 -0.258 -2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.631 0.783 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.031 0.359 -1.344 1.00 0.00 H new ATOM 110 N GLN A 11 1.138 1.351 -4.863 1.00 0.00 N ATOM 111 CA GLN A 11 0.569 1.126 -6.181 1.00 0.00 C ATOM 112 C GLN A 11 0.451 -0.374 -6.459 1.00 0.00 C ATOM 113 O GLN A 11 1.460 -1.061 -6.616 1.00 0.00 O ATOM 114 CB GLN A 11 1.399 1.820 -7.263 1.00 0.00 C ATOM 115 CG GLN A 11 1.000 1.333 -8.657 1.00 0.00 C ATOM 116 CD GLN A 11 1.364 2.368 -9.724 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.262 3.177 -9.560 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.619 2.296 -10.824 1.00 0.00 N ATOM 0 H GLN A 11 2.155 1.290 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.431 1.560 -6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.259 2.899 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.458 1.625 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.501 0.390 -8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.072 1.138 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.117 1.594 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.784 2.943 -11.595 1.00 0.00 H new ATOM 127 N VAL A 12 -0.788 -0.839 -6.511 1.00 0.00 N ATOM 128 CA VAL A 12 -1.051 -2.245 -6.768 1.00 0.00 C ATOM 129 C VAL A 12 -0.373 -2.655 -8.076 1.00 0.00 C ATOM 130 O VAL A 12 -0.463 -1.944 -9.076 1.00 0.00 O ATOM 131 CB VAL A 12 -2.559 -2.504 -6.768 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.866 -3.951 -7.157 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.175 -2.158 -5.411 1.00 0.00 C ATOM 0 H VAL A 12 -1.622 -0.267 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.629 -2.864 -5.976 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.011 -1.853 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.944 -4.109 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.477 -4.150 -8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.395 -4.627 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.247 -2.351 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.715 -2.771 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.002 -1.105 -5.191 1.00 0.00 H new ATOM 143 N THR A 13 0.291 -3.801 -8.028 1.00 0.00 N ATOM 144 CA THR A 13 0.984 -4.315 -9.197 1.00 0.00 C ATOM 145 C THR A 13 0.342 -5.622 -9.666 1.00 0.00 C ATOM 146 O THR A 13 0.411 -5.963 -10.845 1.00 0.00 O ATOM 147 CB THR A 13 2.465 -4.458 -8.844 1.00 0.00 C ATOM 148 OG1 THR A 13 2.507 -5.584 -7.972 1.00 0.00 O ATOM 149 CG2 THR A 13 2.977 -3.301 -7.983 1.00 0.00 C ATOM 0 H THR A 13 0.364 -4.388 -7.197 1.00 0.00 H new ATOM 0 HA THR A 13 0.901 -3.628 -10.039 1.00 0.00 H new ATOM 0 HB THR A 13 3.052 -4.516 -9.761 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.432 -5.749 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.033 -3.452 -7.761 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.850 -2.362 -8.522 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.413 -3.263 -7.051 1.00 0.00 H new ATOM 157 N SER A 14 -0.268 -6.318 -8.717 1.00 0.00 N ATOM 158 CA SER A 14 -0.921 -7.580 -9.018 1.00 0.00 C ATOM 159 C SER A 14 -2.308 -7.619 -8.372 1.00 0.00 C ATOM 160 O SER A 14 -2.476 -7.192 -7.231 1.00 0.00 O ATOM 161 CB SER A 14 -0.079 -8.764 -8.539 1.00 0.00 C ATOM 162 OG SER A 14 1.309 -8.569 -8.792 1.00 0.00 O ATOM 0 H SER A 14 -0.323 -6.031 -7.740 1.00 0.00 H new ATOM 0 HA SER A 14 -1.029 -7.660 -10.100 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.235 -8.911 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.414 -9.673 -9.039 1.00 0.00 H new ATOM 0 HG SER A 14 1.812 -9.346 -8.470 1.00 0.00 H new ATOM 168 N ALA A 15 -3.264 -8.135 -9.129 1.00 0.00 N ATOM 169 CA ALA A 15 -4.630 -8.235 -8.644 1.00 0.00 C ATOM 170 C ALA A 15 -4.701 -9.300 -7.548 1.00 0.00 C ATOM 171 O ALA A 15 -4.027 -10.325 -7.629 1.00 0.00 O ATOM 172 CB ALA A 15 -5.567 -8.540 -9.815 1.00 0.00 C ATOM 0 H ALA A 15 -3.120 -8.488 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.952 -7.290 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.592 -8.615 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.501 -7.739 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.276 -9.483 -10.277 1.00 0.00 H new ATOM 178 N TYR A 16 -5.524 -9.020 -6.547 1.00 0.00 N ATOM 179 CA TYR A 16 -5.692 -9.941 -5.436 1.00 0.00 C ATOM 180 C TYR A 16 -7.129 -9.913 -4.913 1.00 0.00 C ATOM 181 O TYR A 16 -7.668 -8.846 -4.624 1.00 0.00 O ATOM 182 CB TYR A 16 -4.751 -9.448 -4.335 1.00 0.00 C ATOM 183 CG TYR A 16 -4.747 -10.326 -3.081 1.00 0.00 C ATOM 184 CD1 TYR A 16 -3.871 -11.388 -2.985 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.620 -10.055 -2.047 1.00 0.00 C ATOM 186 CE1 TYR A 16 -3.867 -12.214 -1.805 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.617 -10.881 -0.868 1.00 0.00 C ATOM 188 CZ TYR A 16 -4.740 -11.920 -0.805 1.00 0.00 C ATOM 189 OH TYR A 16 -4.737 -12.700 0.309 1.00 0.00 O ATOM 0 H TYR A 16 -6.081 -8.168 -6.483 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.473 -10.962 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.738 -9.396 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.036 -8.434 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.188 -11.600 -3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.305 -9.224 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.186 -13.048 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.295 -10.681 -0.052 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.210 -12.265 1.012 1.00 0.00 H new ATOM 269 N GLN A 23 -9.348 -9.745 5.226 1.00 0.00 N ATOM 270 CA GLN A 23 -8.494 -9.555 4.065 1.00 0.00 C ATOM 271 C GLN A 23 -9.124 -8.547 3.102 1.00 0.00 C ATOM 272 O GLN A 23 -10.347 -8.456 3.006 1.00 0.00 O ATOM 273 CB GLN A 23 -8.220 -10.887 3.363 1.00 0.00 C ATOM 274 CG GLN A 23 -7.135 -11.680 4.095 1.00 0.00 C ATOM 275 CD GLN A 23 -7.606 -13.104 4.397 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.933 -13.452 5.520 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.623 -13.904 3.335 1.00 0.00 N ATOM 0 HA GLN A 23 -7.538 -9.156 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.137 -11.474 3.319 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.909 -10.703 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.231 -11.713 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.875 -11.174 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.336 -13.548 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.923 -14.874 3.432 1.00 0.00 H new ATOM 286 N LEU A 24 -8.260 -7.816 2.413 1.00 0.00 N ATOM 287 CA LEU A 24 -8.717 -6.818 1.461 1.00 0.00 C ATOM 288 C LEU A 24 -8.194 -7.172 0.068 1.00 0.00 C ATOM 289 O LEU A 24 -7.013 -7.474 -0.098 1.00 0.00 O ATOM 290 CB LEU A 24 -8.325 -5.414 1.927 1.00 0.00 C ATOM 291 CG LEU A 24 -8.446 -4.303 0.882 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.906 -4.083 0.482 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.786 -3.013 1.375 1.00 0.00 C ATOM 0 H LEU A 24 -7.246 -7.895 2.495 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.805 -6.817 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.946 -5.150 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.294 -5.444 2.279 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.911 -4.617 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.964 -3.288 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.311 -5.004 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.485 -3.800 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.886 -2.239 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.272 -2.684 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.729 -3.196 1.569 1.00 0.00 H new ATOM 305 N SER A 25 -9.099 -7.123 -0.899 1.00 0.00 N ATOM 306 CA SER A 25 -8.743 -7.434 -2.273 1.00 0.00 C ATOM 307 C SER A 25 -7.988 -6.260 -2.898 1.00 0.00 C ATOM 308 O SER A 25 -8.244 -5.104 -2.562 1.00 0.00 O ATOM 309 CB SER A 25 -9.986 -7.768 -3.101 1.00 0.00 C ATOM 310 OG SER A 25 -10.754 -6.606 -3.402 1.00 0.00 O ATOM 0 H SER A 25 -10.078 -6.873 -0.758 1.00 0.00 H new ATOM 0 HA SER A 25 -8.096 -8.311 -2.268 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.684 -8.254 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.605 -8.480 -2.555 1.00 0.00 H new ATOM 0 HG SER A 25 -11.538 -6.860 -3.933 1.00 0.00 H new ATOM 316 N LEU A 26 -7.073 -6.596 -3.795 1.00 0.00 N ATOM 317 CA LEU A 26 -6.280 -5.583 -4.470 1.00 0.00 C ATOM 318 C LEU A 26 -6.547 -5.650 -5.975 1.00 0.00 C ATOM 319 O LEU A 26 -6.968 -6.685 -6.489 1.00 0.00 O ATOM 320 CB LEU A 26 -4.802 -5.727 -4.102 1.00 0.00 C ATOM 321 CG LEU A 26 -4.488 -5.805 -2.606 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.002 -6.085 -2.372 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.954 -4.541 -1.881 1.00 0.00 C ATOM 0 H LEU A 26 -6.863 -7.556 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.573 -4.587 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.414 -6.626 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.259 -4.881 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.044 -6.642 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.806 -6.136 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.733 -7.034 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.407 -5.285 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.719 -4.623 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.445 -3.673 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.031 -4.426 -2.006 1.00 0.00 H new ATOM 335 N ALA A 27 -6.292 -4.532 -6.640 1.00 0.00 N ATOM 336 CA ALA A 27 -6.501 -4.451 -8.075 1.00 0.00 C ATOM 337 C ALA A 27 -5.358 -3.654 -8.708 1.00 0.00 C ATOM 338 O ALA A 27 -4.897 -2.666 -8.139 1.00 0.00 O ATOM 339 CB ALA A 27 -7.871 -3.832 -8.358 1.00 0.00 C ATOM 0 H ALA A 27 -5.943 -3.675 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.495 -5.446 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.027 -3.771 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.649 -4.452 -7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.914 -2.831 -7.928 1.00 0.00 H new ATOM 345 N PRO A 28 -4.923 -4.126 -9.907 1.00 0.00 N ATOM 346 CA PRO A 28 -3.844 -3.468 -10.623 1.00 0.00 C ATOM 347 C PRO A 28 -4.327 -2.169 -11.270 1.00 0.00 C ATOM 348 O PRO A 28 -5.142 -2.195 -12.191 1.00 0.00 O ATOM 349 CB PRO A 28 -3.362 -4.493 -11.637 1.00 0.00 C ATOM 350 CG PRO A 28 -4.485 -5.509 -11.768 1.00 0.00 C ATOM 351 CD PRO A 28 -5.446 -5.294 -10.610 1.00 0.00 C ATOM 0 HA PRO A 28 -3.029 -3.163 -9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.147 -4.022 -12.596 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.441 -4.970 -11.303 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.001 -5.387 -12.720 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.086 -6.523 -11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.462 -5.120 -10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.481 -6.166 -9.957 1.00 0.00 H new ATOM 359 N GLY A 29 -3.803 -1.062 -10.763 1.00 0.00 N ATOM 360 CA GLY A 29 -4.171 0.245 -11.281 1.00 0.00 C ATOM 361 C GLY A 29 -4.998 1.026 -10.258 1.00 0.00 C ATOM 362 O GLY A 29 -5.742 1.937 -10.621 1.00 0.00 O ATOM 0 H GLY A 29 -3.127 -1.044 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.272 0.807 -11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.742 0.128 -12.202 1.00 0.00 H new ATOM 366 N GLN A 30 -4.842 0.642 -9.000 1.00 0.00 N ATOM 367 CA GLN A 30 -5.565 1.295 -7.922 1.00 0.00 C ATOM 368 C GLN A 30 -4.585 1.917 -6.926 1.00 0.00 C ATOM 369 O GLN A 30 -3.372 1.823 -7.102 1.00 0.00 O ATOM 370 CB GLN A 30 -6.510 0.315 -7.224 1.00 0.00 C ATOM 371 CG GLN A 30 -7.746 0.039 -8.082 1.00 0.00 C ATOM 372 CD GLN A 30 -8.943 -0.349 -7.210 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.746 -1.440 -6.476 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -9.976 0.300 -7.205 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.225 -0.114 -8.703 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.173 2.093 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.987 -0.620 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.816 0.723 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.991 0.924 -8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.531 -0.763 -8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.061 1.129 -7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.755 0.014 -6.612 1.00 0.00 H new ATOM 383 N LEU A 31 -5.149 2.539 -5.900 1.00 0.00 N ATOM 384 CA LEU A 31 -4.340 3.177 -4.875 1.00 0.00 C ATOM 385 C LEU A 31 -4.907 2.832 -3.497 1.00 0.00 C ATOM 386 O LEU A 31 -6.119 2.877 -3.291 1.00 0.00 O ATOM 387 CB LEU A 31 -4.231 4.680 -5.137 1.00 0.00 C ATOM 388 CG LEU A 31 -3.548 5.086 -6.445 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.634 6.597 -6.663 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.104 4.582 -6.489 1.00 0.00 C ATOM 0 H LEU A 31 -6.156 2.614 -5.757 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.319 2.798 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.235 5.104 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.686 5.134 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.080 4.611 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.141 6.858 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.680 6.899 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.142 7.112 -5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.642 4.884 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.544 5.008 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.096 3.495 -6.414 1.00 0.00 H new ATOM 402 N ILE A 32 -4.003 2.496 -2.588 1.00 0.00 N ATOM 403 CA ILE A 32 -4.398 2.144 -1.235 1.00 0.00 C ATOM 404 C ILE A 32 -3.577 2.965 -0.239 1.00 0.00 C ATOM 405 O ILE A 32 -2.472 3.404 -0.553 1.00 0.00 O ATOM 406 CB ILE A 32 -4.291 0.632 -1.021 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.511 -0.090 -1.595 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.071 0.302 0.456 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.123 -1.458 -2.161 1.00 0.00 C ATOM 0 H ILE A 32 -2.999 2.460 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.446 2.393 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.418 0.270 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.264 -0.215 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.962 0.518 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.998 -0.778 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.148 0.770 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.909 0.679 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.009 -1.950 -2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.388 -1.328 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.695 -2.072 -1.368 1.00 0.00 H new ATOM 421 N LEU A 33 -4.150 3.148 0.942 1.00 0.00 N ATOM 422 CA LEU A 33 -3.485 3.909 1.986 1.00 0.00 C ATOM 423 C LEU A 33 -3.035 2.958 3.097 1.00 0.00 C ATOM 424 O LEU A 33 -3.863 2.334 3.759 1.00 0.00 O ATOM 425 CB LEU A 33 -4.385 5.045 2.477 1.00 0.00 C ATOM 426 CG LEU A 33 -3.735 6.053 3.427 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.005 7.149 2.647 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.764 6.631 4.400 1.00 0.00 C ATOM 0 H LEU A 33 -5.067 2.782 1.199 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.588 4.389 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.761 5.585 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.248 4.607 2.979 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.988 5.529 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.552 7.852 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.228 6.700 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.715 7.677 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.276 7.345 5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.551 7.136 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.199 5.825 4.991 1.00 0.00 H new ATOM 440 N ILE A 34 -1.723 2.876 3.267 1.00 0.00 N ATOM 441 CA ILE A 34 -1.153 2.011 4.286 1.00 0.00 C ATOM 442 C ILE A 34 -1.461 2.588 5.669 1.00 0.00 C ATOM 443 O ILE A 34 -0.946 3.644 6.033 1.00 0.00 O ATOM 444 CB ILE A 34 0.339 1.792 4.029 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.584 1.306 2.599 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.941 0.844 5.068 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.137 -0.018 2.340 1.00 0.00 C ATOM 0 H ILE A 34 -1.039 3.394 2.716 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.608 1.022 4.245 1.00 0.00 H new ATOM 0 HB ILE A 34 0.848 2.750 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.237 2.058 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.654 1.181 2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.002 0.705 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.817 1.269 6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.433 -0.119 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.053 -0.342 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.230 -0.774 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.209 0.117 2.485 1.00 0.00 H new ATOM 459 N LEU A 35 -2.299 1.870 6.401 1.00 0.00 N ATOM 460 CA LEU A 35 -2.682 2.298 7.736 1.00 0.00 C ATOM 461 C LEU A 35 -1.847 1.538 8.769 1.00 0.00 C ATOM 462 O LEU A 35 -1.304 2.138 9.696 1.00 0.00 O ATOM 463 CB LEU A 35 -4.192 2.147 7.935 1.00 0.00 C ATOM 464 CG LEU A 35 -5.072 2.633 6.782 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.374 1.833 6.711 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.328 4.138 6.883 1.00 0.00 C ATOM 0 H LEU A 35 -2.724 0.995 6.095 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.471 3.359 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.411 1.095 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.476 2.690 8.836 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.537 2.460 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.981 2.199 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.145 0.779 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.925 1.951 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.956 4.457 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.832 4.359 7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.378 4.672 6.846 1.00 0.00 H new ATOM 478 N LYS A 36 -1.771 0.230 8.575 1.00 0.00 N ATOM 479 CA LYS A 36 -1.011 -0.618 9.478 1.00 0.00 C ATOM 480 C LYS A 36 -0.118 -1.554 8.662 1.00 0.00 C ATOM 481 O LYS A 36 -0.458 -1.918 7.537 1.00 0.00 O ATOM 482 CB LYS A 36 -1.948 -1.347 10.443 1.00 0.00 C ATOM 483 CG LYS A 36 -1.406 -1.302 11.873 1.00 0.00 C ATOM 484 CD LYS A 36 -2.543 -1.151 12.886 1.00 0.00 C ATOM 485 CE LYS A 36 -2.861 -2.489 13.556 1.00 0.00 C ATOM 486 NZ LYS A 36 -1.706 -2.957 14.354 1.00 0.00 N ATOM 0 H LYS A 36 -2.223 -0.264 7.806 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.353 -0.015 10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.937 -0.889 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.066 -2.384 10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.846 -2.214 12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.710 -0.470 11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.265 -0.418 13.643 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.433 -0.770 12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.735 -2.382 14.199 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.112 -3.231 12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.045 -3.536 15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.078 -3.528 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.183 -2.137 14.721 1.00 0.00 H new ATOM 500 N LYS A 37 1.007 -1.918 9.260 1.00 0.00 N ATOM 501 CA LYS A 37 1.951 -2.805 8.602 1.00 0.00 C ATOM 502 C LYS A 37 2.256 -3.990 9.521 1.00 0.00 C ATOM 503 O LYS A 37 1.895 -3.977 10.696 1.00 0.00 O ATOM 504 CB LYS A 37 3.196 -2.031 8.163 1.00 0.00 C ATOM 505 CG LYS A 37 2.853 -1.014 7.072 1.00 0.00 C ATOM 506 CD LYS A 37 4.088 -0.668 6.238 1.00 0.00 C ATOM 507 CE LYS A 37 4.354 0.839 6.252 1.00 0.00 C ATOM 508 NZ LYS A 37 5.531 1.150 7.095 1.00 0.00 N ATOM 0 H LYS A 37 1.286 -1.615 10.193 1.00 0.00 H new ATOM 0 HA LYS A 37 1.518 -3.213 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.630 -1.517 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.949 -2.726 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.074 -1.418 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.452 -0.109 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.956 -1.198 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.945 -1.006 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.523 1.194 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.478 1.365 6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.698 2.177 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.355 0.829 8.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.368 0.663 6.716 1.00 0.00 H new ATOM 522 N ASN A 38 2.918 -4.985 8.949 1.00 0.00 N ATOM 523 CA ASN A 38 3.275 -6.176 9.702 1.00 0.00 C ATOM 524 C ASN A 38 4.703 -6.591 9.343 1.00 0.00 C ATOM 525 O ASN A 38 5.299 -6.042 8.418 1.00 0.00 O ATOM 526 CB ASN A 38 2.344 -7.341 9.364 1.00 0.00 C ATOM 527 CG ASN A 38 2.456 -8.454 10.408 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.812 -8.231 11.554 1.00 0.00 O ATOM 529 ND2 ASN A 38 2.134 -9.660 9.950 1.00 0.00 N ATOM 0 H ASN A 38 3.216 -4.991 7.974 1.00 0.00 H new ATOM 0 HA ASN A 38 3.189 -5.943 10.763 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.315 -6.986 9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.592 -7.736 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.177 -10.469 10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.844 -9.776 8.979 1.00 0.00 H new ATOM 536 N THR A 39 5.210 -7.558 10.094 1.00 0.00 N ATOM 537 CA THR A 39 6.557 -8.054 9.866 1.00 0.00 C ATOM 538 C THR A 39 6.517 -9.360 9.070 1.00 0.00 C ATOM 539 O THR A 39 7.465 -10.143 9.107 1.00 0.00 O ATOM 540 CB THR A 39 7.246 -8.191 11.225 1.00 0.00 C ATOM 541 OG1 THR A 39 8.601 -8.491 10.899 1.00 0.00 O ATOM 542 CG2 THR A 39 6.769 -9.420 12.002 1.00 0.00 C ATOM 0 H THR A 39 4.713 -8.011 10.861 1.00 0.00 H new ATOM 0 HA THR A 39 7.138 -7.359 9.260 1.00 0.00 H new ATOM 0 HB THR A 39 7.063 -7.294 11.817 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.625 -9.144 10.169 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.289 -9.470 12.959 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.696 -9.346 12.176 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.982 -10.320 11.426 1.00 0.00 H new ATOM 550 N SER A 40 5.410 -9.555 8.369 1.00 0.00 N ATOM 551 CA SER A 40 5.234 -10.753 7.566 1.00 0.00 C ATOM 552 C SER A 40 5.077 -10.376 6.092 1.00 0.00 C ATOM 553 O SER A 40 5.613 -11.051 5.214 1.00 0.00 O ATOM 554 CB SER A 40 4.023 -11.560 8.039 1.00 0.00 C ATOM 555 OG SER A 40 4.288 -12.960 8.052 1.00 0.00 O ATOM 0 H SER A 40 4.626 -8.903 8.340 1.00 0.00 H new ATOM 0 HA SER A 40 6.120 -11.376 7.683 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.739 -11.235 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.174 -11.357 7.386 1.00 0.00 H new ATOM 0 HG SER A 40 3.492 -13.441 8.361 1.00 0.00 H new ATOM 561 N GLY A 41 4.340 -9.298 5.864 1.00 0.00 N ATOM 562 CA GLY A 41 4.107 -8.823 4.511 1.00 0.00 C ATOM 563 C GLY A 41 2.674 -8.311 4.350 1.00 0.00 C ATOM 564 O GLY A 41 2.364 -7.618 3.382 1.00 0.00 O ATOM 0 H GLY A 41 3.897 -8.740 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.811 -8.025 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.291 -9.630 3.802 1.00 0.00 H new ATOM 568 N TRP A 42 1.838 -8.672 5.313 1.00 0.00 N ATOM 569 CA TRP A 42 0.446 -8.258 5.290 1.00 0.00 C ATOM 570 C TRP A 42 0.378 -6.801 5.754 1.00 0.00 C ATOM 571 O TRP A 42 0.883 -6.463 6.823 1.00 0.00 O ATOM 572 CB TRP A 42 -0.419 -9.195 6.134 1.00 0.00 C ATOM 573 CG TRP A 42 -0.591 -10.592 5.535 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.224 -11.648 5.656 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.686 -11.045 4.710 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.262 -12.744 4.973 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.460 -12.366 4.379 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.828 -10.361 4.259 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.334 -13.116 3.583 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.691 -11.125 3.464 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.479 -12.456 3.122 1.00 0.00 C ATOM 0 H TRP A 42 2.099 -9.247 6.114 1.00 0.00 H new ATOM 0 HA TRP A 42 0.042 -8.321 4.280 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.025 -9.288 7.125 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.402 -8.744 6.266 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.146 -11.642 6.218 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.177 -13.663 4.915 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.024 -9.328 4.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.135 -14.149 3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.584 -10.647 3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.194 -12.978 2.504 1.00 0.00 H new ATOM 592 N TRP A 43 -0.250 -5.979 4.926 1.00 0.00 N ATOM 593 CA TRP A 43 -0.390 -4.567 5.238 1.00 0.00 C ATOM 594 C TRP A 43 -1.882 -4.260 5.384 1.00 0.00 C ATOM 595 O TRP A 43 -2.704 -4.792 4.639 1.00 0.00 O ATOM 596 CB TRP A 43 0.298 -3.700 4.181 1.00 0.00 C ATOM 597 CG TRP A 43 1.825 -3.701 4.274 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.596 -4.303 5.190 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.741 -3.040 3.376 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.936 -4.080 4.949 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.027 -3.287 3.811 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.491 -2.259 2.234 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.165 -2.791 3.162 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.638 -1.770 1.597 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.940 -2.010 2.022 1.00 0.00 C ATOM 0 H TRP A 43 -0.667 -6.264 4.040 1.00 0.00 H new ATOM 0 HA TRP A 43 0.108 -4.329 6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.004 -4.050 3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.061 -2.675 4.276 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.216 -4.889 6.014 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.716 -4.432 5.504 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.493 -2.053 1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.162 -3.000 3.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.502 -1.164 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.774 -1.596 1.475 1.00 0.00 H new ATOM 616 N GLN A 44 -2.187 -3.404 6.348 1.00 0.00 N ATOM 617 CA GLN A 44 -3.565 -3.021 6.600 1.00 0.00 C ATOM 618 C GLN A 44 -3.805 -1.577 6.155 1.00 0.00 C ATOM 619 O GLN A 44 -3.525 -0.639 6.901 1.00 0.00 O ATOM 620 CB GLN A 44 -3.925 -3.207 8.075 1.00 0.00 C ATOM 621 CG GLN A 44 -5.439 -3.135 8.284 1.00 0.00 C ATOM 622 CD GLN A 44 -5.788 -3.143 9.774 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.018 -2.722 10.621 1.00 0.00 O ATOM 624 NE2 GLN A 44 -6.989 -3.646 10.045 1.00 0.00 N ATOM 0 H GLN A 44 -1.503 -2.965 6.964 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.215 -3.673 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.551 -4.169 8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.435 -2.438 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.831 -2.230 7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.918 -3.980 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.584 -3.981 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.315 -3.696 11.010 1.00 0.00 H new ATOM 633 N GLY A 45 -4.320 -1.443 4.942 1.00 0.00 N ATOM 634 CA GLY A 45 -4.600 -0.129 4.389 1.00 0.00 C ATOM 635 C GLY A 45 -6.052 -0.030 3.918 1.00 0.00 C ATOM 636 O GLY A 45 -6.827 -0.972 4.081 1.00 0.00 O ATOM 0 H GLY A 45 -4.551 -2.223 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.405 0.635 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.929 0.068 3.553 1.00 0.00 H new ATOM 640 N GLU A 46 -6.378 1.118 3.342 1.00 0.00 N ATOM 641 CA GLU A 46 -7.723 1.352 2.846 1.00 0.00 C ATOM 642 C GLU A 46 -7.684 1.743 1.368 1.00 0.00 C ATOM 643 O GLU A 46 -6.915 2.619 0.974 1.00 0.00 O ATOM 644 CB GLU A 46 -8.436 2.421 3.677 1.00 0.00 C ATOM 645 CG GLU A 46 -9.844 2.685 3.140 1.00 0.00 C ATOM 646 CD GLU A 46 -10.119 4.187 3.037 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.022 4.854 4.090 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.419 4.633 1.909 1.00 0.00 O ATOM 0 H GLU A 46 -5.733 1.897 3.208 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.290 0.426 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.494 2.099 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.858 3.345 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.955 2.223 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.580 2.221 3.796 1.00 0.00 H new ATOM 655 N LEU A 47 -8.522 1.074 0.589 1.00 0.00 N ATOM 656 CA LEU A 47 -8.593 1.341 -0.837 1.00 0.00 C ATOM 657 C LEU A 47 -9.002 2.799 -1.060 1.00 0.00 C ATOM 658 O LEU A 47 -10.011 3.253 -0.523 1.00 0.00 O ATOM 659 CB LEU A 47 -9.514 0.332 -1.526 1.00 0.00 C ATOM 660 CG LEU A 47 -9.051 -0.174 -2.894 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.921 -1.338 -3.371 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.008 0.966 -3.914 1.00 0.00 C ATOM 0 H LEU A 47 -9.157 0.348 0.919 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.614 1.211 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.638 -0.527 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.497 0.788 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.034 -0.553 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.571 -1.679 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.857 -2.158 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.957 -1.008 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.676 0.580 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.003 1.398 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.314 1.734 -3.572 1.00 0.00 H new ATOM 674 N GLN A 48 -8.197 3.491 -1.852 1.00 0.00 N ATOM 675 CA GLN A 48 -8.462 4.888 -2.152 1.00 0.00 C ATOM 676 C GLN A 48 -9.335 5.006 -3.404 1.00 0.00 C ATOM 677 O GLN A 48 -9.260 5.999 -4.126 1.00 0.00 O ATOM 678 CB GLN A 48 -7.158 5.671 -2.317 1.00 0.00 C ATOM 679 CG GLN A 48 -6.421 5.796 -0.982 1.00 0.00 C ATOM 680 CD GLN A 48 -7.204 6.674 -0.004 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.298 7.882 -0.152 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.759 6.003 1.001 1.00 0.00 N ATOM 0 H GLN A 48 -7.361 3.111 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.004 5.323 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.519 5.170 -3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.373 6.664 -2.712 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.273 4.806 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.432 6.222 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.641 4.992 1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.302 6.499 1.707 1.00 0.00 H new ATOM 800 N GLN A 55 -13.301 0.194 1.610 1.00 0.00 N ATOM 801 CA GLN A 55 -12.415 -0.956 1.570 1.00 0.00 C ATOM 802 C GLN A 55 -11.315 -0.817 2.625 1.00 0.00 C ATOM 803 O GLN A 55 -10.675 0.229 2.725 1.00 0.00 O ATOM 804 CB GLN A 55 -11.815 -1.137 0.174 1.00 0.00 C ATOM 805 CG GLN A 55 -12.804 -1.835 -0.762 1.00 0.00 C ATOM 806 CD GLN A 55 -13.384 -0.850 -1.779 1.00 0.00 C ATOM 807 OE1 GLN A 55 -12.674 -0.111 -2.441 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.711 -0.881 -1.866 1.00 0.00 N ATOM 0 HA GLN A 55 -12.999 -1.848 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.543 -0.165 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.898 -1.722 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.303 -2.650 -1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.611 -2.279 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.245 -1.524 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.194 -0.261 -2.516 1.00 0.00 H new ATOM 817 N LYS A 56 -11.130 -1.886 3.385 1.00 0.00 N ATOM 818 CA LYS A 56 -10.120 -1.896 4.429 1.00 0.00 C ATOM 819 C LYS A 56 -9.954 -3.322 4.959 1.00 0.00 C ATOM 820 O LYS A 56 -10.924 -3.945 5.388 1.00 0.00 O ATOM 821 CB LYS A 56 -10.460 -0.873 5.514 1.00 0.00 C ATOM 822 CG LYS A 56 -9.202 -0.425 6.260 1.00 0.00 C ATOM 823 CD LYS A 56 -8.990 -1.255 7.527 1.00 0.00 C ATOM 824 CE LYS A 56 -9.057 -0.375 8.777 1.00 0.00 C ATOM 825 NZ LYS A 56 -7.757 -0.380 9.485 1.00 0.00 N ATOM 0 H LYS A 56 -11.663 -2.752 3.299 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.154 -1.590 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.947 -0.008 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.169 -1.307 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.334 -0.523 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.287 0.630 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.749 -2.035 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.022 -1.755 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.321 0.645 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.841 -0.737 9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.655 0.500 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.717 -1.194 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.985 -0.449 8.792 1.00 0.00 H new ATOM 839 N GLY A 57 -8.718 -3.797 4.911 1.00 0.00 N ATOM 840 CA GLY A 57 -8.413 -5.137 5.381 1.00 0.00 C ATOM 841 C GLY A 57 -6.906 -5.402 5.345 1.00 0.00 C ATOM 842 O GLY A 57 -6.115 -4.477 5.165 1.00 0.00 O ATOM 0 H GLY A 57 -7.916 -3.277 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.784 -5.262 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.929 -5.870 4.761 1.00 0.00 H new ATOM 846 N TRP A 58 -6.556 -6.667 5.518 1.00 0.00 N ATOM 847 CA TRP A 58 -5.158 -7.065 5.507 1.00 0.00 C ATOM 848 C TRP A 58 -4.874 -7.758 4.174 1.00 0.00 C ATOM 849 O TRP A 58 -5.479 -8.782 3.861 1.00 0.00 O ATOM 850 CB TRP A 58 -4.827 -7.939 6.718 1.00 0.00 C ATOM 851 CG TRP A 58 -4.791 -7.178 8.045 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.817 -6.886 8.857 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.624 -6.620 8.685 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.398 -6.183 9.968 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.022 -6.016 9.860 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.277 -6.625 8.283 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.134 -5.373 10.731 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.402 -5.978 9.164 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.786 -5.365 10.351 1.00 0.00 C ATOM 0 H TRP A 58 -7.216 -7.431 5.667 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.509 -6.194 5.591 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.565 -8.738 6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.859 -8.413 6.557 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.842 -7.166 8.666 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.989 -5.848 10.729 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.944 -7.091 7.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.470 -4.908 11.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.354 -5.953 8.903 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.049 -4.885 10.977 1.00 0.00 H new ATOM 870 N PHE A 59 -3.953 -7.172 3.423 1.00 0.00 N ATOM 871 CA PHE A 59 -3.581 -7.721 2.130 1.00 0.00 C ATOM 872 C PHE A 59 -2.060 -7.824 1.994 1.00 0.00 C ATOM 873 O PHE A 59 -1.322 -7.175 2.735 1.00 0.00 O ATOM 874 CB PHE A 59 -4.112 -6.759 1.066 1.00 0.00 C ATOM 875 CG PHE A 59 -3.426 -5.391 1.065 1.00 0.00 C ATOM 876 CD1 PHE A 59 -2.175 -5.259 0.547 1.00 0.00 C ATOM 877 CD2 PHE A 59 -4.066 -4.309 1.582 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.538 -3.990 0.546 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.429 -3.040 1.582 1.00 0.00 C ATOM 880 CZ PHE A 59 -2.178 -2.907 1.063 1.00 0.00 C ATOM 0 H PHE A 59 -3.453 -6.322 3.685 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.997 -8.722 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.989 -7.216 0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.182 -6.617 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.667 -6.119 0.137 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.059 -4.415 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.545 -3.885 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.937 -2.181 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.694 -1.942 1.062 1.00 0.00 H new ATOM 890 N PRO A 60 -1.626 -8.665 1.018 1.00 0.00 N ATOM 891 CA PRO A 60 -0.206 -8.860 0.776 1.00 0.00 C ATOM 892 C PRO A 60 0.398 -7.654 0.054 1.00 0.00 C ATOM 893 O PRO A 60 -0.126 -7.211 -0.967 1.00 0.00 O ATOM 894 CB PRO A 60 -0.119 -10.143 -0.035 1.00 0.00 C ATOM 895 CG PRO A 60 -1.507 -10.367 -0.612 1.00 0.00 C ATOM 896 CD PRO A 60 -2.471 -9.449 0.122 1.00 0.00 C ATOM 0 HA PRO A 60 0.370 -8.946 1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.624 -10.054 -0.828 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.183 -10.982 0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.515 -10.153 -1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.806 -11.408 -0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.014 -8.808 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.215 -10.019 0.678 1.00 0.00 H new ATOM 904 N ALA A 61 1.492 -7.158 0.613 1.00 0.00 N ATOM 905 CA ALA A 61 2.173 -6.012 0.035 1.00 0.00 C ATOM 906 C ALA A 61 2.855 -6.433 -1.269 1.00 0.00 C ATOM 907 O ALA A 61 3.182 -5.590 -2.103 1.00 0.00 O ATOM 908 CB ALA A 61 3.163 -5.440 1.052 1.00 0.00 C ATOM 0 H ALA A 61 1.924 -7.529 1.460 1.00 0.00 H new ATOM 0 HA ALA A 61 1.460 -5.223 -0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.674 -4.580 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.625 -5.129 1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.896 -6.203 1.315 1.00 0.00 H new ATOM 914 N SER A 62 3.049 -7.737 -1.403 1.00 0.00 N ATOM 915 CA SER A 62 3.686 -8.280 -2.591 1.00 0.00 C ATOM 916 C SER A 62 2.802 -8.037 -3.816 1.00 0.00 C ATOM 917 O SER A 62 3.236 -8.242 -4.949 1.00 0.00 O ATOM 918 CB SER A 62 3.970 -9.774 -2.429 1.00 0.00 C ATOM 919 OG SER A 62 5.085 -10.016 -1.574 1.00 0.00 O ATOM 0 H SER A 62 2.776 -8.433 -0.709 1.00 0.00 H new ATOM 0 HA SER A 62 4.639 -7.770 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.088 -10.269 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.161 -10.215 -3.407 1.00 0.00 H new ATOM 0 HG SER A 62 5.233 -10.982 -1.495 1.00 0.00 H new ATOM 925 N HIS A 63 1.579 -7.605 -3.547 1.00 0.00 N ATOM 926 CA HIS A 63 0.630 -7.333 -4.613 1.00 0.00 C ATOM 927 C HIS A 63 0.637 -5.838 -4.937 1.00 0.00 C ATOM 928 O HIS A 63 -0.070 -5.390 -5.838 1.00 0.00 O ATOM 929 CB HIS A 63 -0.761 -7.854 -4.249 1.00 0.00 C ATOM 930 CG HIS A 63 -1.004 -9.290 -4.648 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.648 -9.643 -5.821 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.681 -10.456 -4.020 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.706 -10.965 -5.885 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.106 -11.467 -4.767 1.00 0.00 N ATOM 0 H HIS A 63 1.223 -7.437 -2.606 1.00 0.00 H new ATOM 0 HA HIS A 63 0.929 -7.867 -5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.903 -7.758 -3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.510 -7.223 -4.727 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.166 -10.542 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.150 -11.543 -6.682 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.001 -12.456 -4.542 1.00 0.00 H new ATOM 942 N VAL A 64 1.445 -5.106 -4.184 1.00 0.00 N ATOM 943 CA VAL A 64 1.554 -3.670 -4.379 1.00 0.00 C ATOM 944 C VAL A 64 3.024 -3.257 -4.286 1.00 0.00 C ATOM 945 O VAL A 64 3.889 -4.085 -4.005 1.00 0.00 O ATOM 946 CB VAL A 64 0.662 -2.936 -3.376 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.697 -3.627 -3.243 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.351 -2.815 -2.015 1.00 0.00 C ATOM 0 H VAL A 64 2.031 -5.481 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 64 1.200 -3.392 -5.372 1.00 0.00 H new ATOM 0 HB VAL A 64 0.490 -1.929 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.312 -3.085 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.196 -3.638 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.552 -4.651 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.695 -2.289 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.567 -3.810 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.282 -2.259 -2.127 1.00 0.00 H new ATOM 958 N LYS A 65 3.262 -1.976 -4.526 1.00 0.00 N ATOM 959 CA LYS A 65 4.613 -1.442 -4.473 1.00 0.00 C ATOM 960 C LYS A 65 4.582 -0.051 -3.837 1.00 0.00 C ATOM 961 O LYS A 65 3.799 0.805 -4.246 1.00 0.00 O ATOM 962 CB LYS A 65 5.255 -1.470 -5.861 1.00 0.00 C ATOM 963 CG LYS A 65 4.772 -0.295 -6.713 1.00 0.00 C ATOM 964 CD LYS A 65 5.274 -0.418 -8.153 1.00 0.00 C ATOM 965 CE LYS A 65 6.665 0.202 -8.303 1.00 0.00 C ATOM 966 NZ LYS A 65 6.637 1.303 -9.293 1.00 0.00 N ATOM 0 H LYS A 65 2.542 -1.292 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 65 5.245 -2.067 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.340 -1.432 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.012 -2.409 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.683 -0.260 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.124 0.641 -6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.307 -1.468 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.576 0.077 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.007 0.580 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.378 -0.560 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.588 1.713 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.331 0.933 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.972 2.037 -8.977 1.00 0.00 H new ATOM 980 N LEU A 66 5.444 0.132 -2.848 1.00 0.00 N ATOM 981 CA LEU A 66 5.526 1.405 -2.152 1.00 0.00 C ATOM 982 C LEU A 66 5.924 2.499 -3.144 1.00 0.00 C ATOM 983 O LEU A 66 6.829 2.307 -3.955 1.00 0.00 O ATOM 984 CB LEU A 66 6.462 1.297 -0.947 1.00 0.00 C ATOM 985 CG LEU A 66 5.793 1.006 0.398 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.825 0.975 1.528 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.667 2.004 0.678 1.00 0.00 C ATOM 0 H LEU A 66 6.092 -0.580 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 66 4.553 1.681 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.189 0.510 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.018 2.230 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 66 5.340 0.016 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.324 0.766 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.561 0.196 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.327 1.941 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.208 1.775 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.074 3.015 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.915 1.934 -0.108 1.00 0.00 H new ATOM 999 N LEU A 67 5.228 3.622 -3.048 1.00 0.00 N ATOM 1000 CA LEU A 67 5.498 4.747 -3.927 1.00 0.00 C ATOM 1001 C LEU A 67 6.526 5.669 -3.268 1.00 0.00 C ATOM 1002 O LEU A 67 6.716 6.804 -3.703 1.00 0.00 O ATOM 1003 CB LEU A 67 4.195 5.453 -4.309 1.00 0.00 C ATOM 1004 CG LEU A 67 3.292 4.706 -5.293 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.357 5.673 -6.022 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.119 3.865 -6.267 1.00 0.00 C ATOM 0 H LEU A 67 4.477 3.777 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 67 5.934 4.402 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.627 5.643 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.443 6.423 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 67 2.665 4.018 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.726 5.116 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.730 6.190 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.948 6.403 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.453 3.345 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.788 4.515 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.707 3.135 -5.710 1.00 0.00 H new