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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.38 K(o=0.82,f=-2.1) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 168:sc= 0.438 (180deg=0) USER MOD Single : A 16 TYR OH : rot 67:sc= 0.758 USER MOD Single : A 23 GLN : amide:sc= -0.0549 K(o=-0.055,f=0.56) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -6.76! C(o=-6.8!,f=-4.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.108 K(o=-0.11,f=-7.4!) USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.951 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.7) USER MOD Single : A 48 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.45) USER MOD Single : A 55 GLN : amide:sc= -5.12! K(o=-5.1!,f=-0.68) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= -0.652 (180deg=-2.44!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -3.89! C(o=-3.9!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.171 6.436 3.897 1.00 0.00 N ATOM 67 CA GLU A 8 1.962 5.716 2.914 1.00 0.00 C ATOM 68 C GLU A 8 1.049 5.034 1.894 1.00 0.00 C ATOM 69 O GLU A 8 0.325 4.098 2.232 1.00 0.00 O ATOM 70 CB GLU A 8 2.884 4.700 3.590 1.00 0.00 C ATOM 71 CG GLU A 8 4.328 5.204 3.620 1.00 0.00 C ATOM 72 CD GLU A 8 5.317 4.037 3.646 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.022 3.060 4.368 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.345 4.147 2.944 1.00 0.00 O ATOM 0 HA GLU A 8 2.591 6.433 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.540 4.512 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.838 3.750 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.518 5.826 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.479 5.833 4.497 1.00 0.00 H new ATOM 81 N ILE A 9 1.112 5.528 0.666 1.00 0.00 N ATOM 82 CA ILE A 9 0.300 4.977 -0.405 1.00 0.00 C ATOM 83 C ILE A 9 1.088 3.881 -1.125 1.00 0.00 C ATOM 84 O ILE A 9 2.316 3.925 -1.176 1.00 0.00 O ATOM 85 CB ILE A 9 -0.191 6.091 -1.332 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.305 6.905 -0.670 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.622 5.527 -2.688 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.678 6.305 -0.976 1.00 0.00 C ATOM 0 H ILE A 9 1.713 6.304 0.389 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.598 4.511 -0.001 1.00 0.00 H new ATOM 0 HB ILE A 9 0.640 6.772 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.148 6.933 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.267 7.935 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.966 6.340 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.224 5.028 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.431 4.811 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.452 6.902 -0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.841 6.301 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.721 5.283 -0.599 1.00 0.00 H new ATOM 100 N ALA A 10 0.349 2.922 -1.664 1.00 0.00 N ATOM 101 CA ALA A 10 0.963 1.816 -2.378 1.00 0.00 C ATOM 102 C ALA A 10 0.219 1.590 -3.696 1.00 0.00 C ATOM 103 O ALA A 10 -1.005 1.703 -3.749 1.00 0.00 O ATOM 104 CB ALA A 10 0.965 0.571 -1.489 1.00 0.00 C ATOM 0 H ALA A 10 -0.670 2.888 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 10 2.001 2.045 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.426 -0.258 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.531 0.774 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.060 0.309 -1.227 1.00 0.00 H new ATOM 110 N GLN A 11 0.989 1.274 -4.727 1.00 0.00 N ATOM 111 CA GLN A 11 0.418 1.031 -6.041 1.00 0.00 C ATOM 112 C GLN A 11 0.317 -0.473 -6.306 1.00 0.00 C ATOM 113 O GLN A 11 1.329 -1.172 -6.328 1.00 0.00 O ATOM 114 CB GLN A 11 1.235 1.726 -7.131 1.00 0.00 C ATOM 115 CG GLN A 11 0.825 1.236 -8.521 1.00 0.00 C ATOM 116 CD GLN A 11 1.303 2.202 -9.607 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.479 2.499 -9.735 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.328 2.673 -10.379 1.00 0.00 N ATOM 0 H GLN A 11 2.004 1.181 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.587 1.452 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.092 2.805 -7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.296 1.535 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.245 0.246 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.259 1.136 -8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.636 2.383 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.544 3.325 -11.133 1.00 0.00 H new ATOM 127 N VAL A 12 -0.912 -0.926 -6.501 1.00 0.00 N ATOM 128 CA VAL A 12 -1.158 -2.334 -6.763 1.00 0.00 C ATOM 129 C VAL A 12 -0.476 -2.730 -8.075 1.00 0.00 C ATOM 130 O VAL A 12 -0.646 -2.062 -9.093 1.00 0.00 O ATOM 131 CB VAL A 12 -2.662 -2.612 -6.764 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.949 -4.077 -7.097 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.293 -2.220 -5.426 1.00 0.00 C ATOM 0 H VAL A 12 -1.749 -0.343 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.728 -2.950 -5.973 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.115 -1.997 -7.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.026 -4.247 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.550 -4.311 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.476 -4.719 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.363 -2.428 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.832 -2.796 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.135 -1.157 -5.247 1.00 0.00 H new ATOM 143 N THR A 13 0.280 -3.816 -8.007 1.00 0.00 N ATOM 144 CA THR A 13 0.988 -4.309 -9.176 1.00 0.00 C ATOM 145 C THR A 13 0.408 -5.651 -9.624 1.00 0.00 C ATOM 146 O THR A 13 0.545 -6.035 -10.785 1.00 0.00 O ATOM 147 CB THR A 13 2.478 -4.374 -8.834 1.00 0.00 C ATOM 148 OG1 THR A 13 2.554 -5.351 -7.799 1.00 0.00 O ATOM 149 CG2 THR A 13 2.984 -3.091 -8.173 1.00 0.00 C ATOM 0 H THR A 13 0.418 -4.368 -7.161 1.00 0.00 H new ATOM 0 HA THR A 13 0.864 -3.638 -10.026 1.00 0.00 H new ATOM 0 HB THR A 13 3.051 -4.564 -9.742 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.487 -5.458 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.047 -3.191 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.832 -2.249 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.435 -2.918 -7.247 1.00 0.00 H new ATOM 157 N SER A 14 -0.229 -6.329 -8.680 1.00 0.00 N ATOM 158 CA SER A 14 -0.831 -7.621 -8.963 1.00 0.00 C ATOM 159 C SER A 14 -2.190 -7.728 -8.269 1.00 0.00 C ATOM 160 O SER A 14 -2.314 -7.408 -7.087 1.00 0.00 O ATOM 161 CB SER A 14 0.084 -8.764 -8.519 1.00 0.00 C ATOM 162 OG SER A 14 1.462 -8.410 -8.606 1.00 0.00 O ATOM 0 H SER A 14 -0.341 -6.008 -7.718 1.00 0.00 H new ATOM 0 HA SER A 14 -0.973 -7.704 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.155 -9.041 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.105 -9.641 -9.138 1.00 0.00 H new ATOM 0 HG SER A 14 2.013 -9.165 -8.313 1.00 0.00 H new ATOM 168 N ALA A 15 -3.174 -8.180 -9.032 1.00 0.00 N ATOM 169 CA ALA A 15 -4.520 -8.333 -8.504 1.00 0.00 C ATOM 170 C ALA A 15 -4.512 -9.392 -7.400 1.00 0.00 C ATOM 171 O ALA A 15 -3.792 -10.385 -7.491 1.00 0.00 O ATOM 172 CB ALA A 15 -5.477 -8.687 -9.644 1.00 0.00 C ATOM 0 H ALA A 15 -3.067 -8.445 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.869 -7.399 -8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.486 -8.802 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.467 -7.891 -10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.160 -9.621 -10.108 1.00 0.00 H new ATOM 178 N TYR A 16 -5.322 -9.144 -6.381 1.00 0.00 N ATOM 179 CA TYR A 16 -5.417 -10.063 -5.259 1.00 0.00 C ATOM 180 C TYR A 16 -6.879 -10.349 -4.908 1.00 0.00 C ATOM 181 O TYR A 16 -7.759 -9.538 -5.190 1.00 0.00 O ATOM 182 CB TYR A 16 -4.749 -9.357 -4.078 1.00 0.00 C ATOM 183 CG TYR A 16 -4.973 -10.050 -2.732 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.207 -11.144 -2.384 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.941 -9.582 -1.867 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.418 -11.797 -1.117 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.151 -10.234 -0.600 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.379 -11.309 -0.288 1.00 0.00 C ATOM 189 OH TYR A 16 -5.578 -11.925 0.908 1.00 0.00 O ATOM 0 H TYR A 16 -5.919 -8.320 -6.309 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.942 -11.014 -5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.678 -9.290 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.127 -8.336 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.450 -11.511 -3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.541 -8.727 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.826 -12.654 -0.832 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.904 -9.877 0.087 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.794 -11.789 1.481 1.00 0.00 H new ATOM 269 N GLN A 23 -9.281 -9.491 5.305 1.00 0.00 N ATOM 270 CA GLN A 23 -8.496 -9.345 4.091 1.00 0.00 C ATOM 271 C GLN A 23 -9.121 -8.287 3.179 1.00 0.00 C ATOM 272 O GLN A 23 -10.332 -8.075 3.208 1.00 0.00 O ATOM 273 CB GLN A 23 -8.357 -10.683 3.362 1.00 0.00 C ATOM 274 CG GLN A 23 -7.126 -11.448 3.851 1.00 0.00 C ATOM 275 CD GLN A 23 -7.489 -12.398 4.994 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.483 -12.233 5.681 1.00 0.00 O ATOM 277 NE2 GLN A 23 -6.629 -13.399 5.159 1.00 0.00 N ATOM 0 HA GLN A 23 -7.495 -9.014 4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.252 -11.284 3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.280 -10.510 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.694 -12.014 3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.365 -10.743 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.816 -13.479 4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.782 -14.087 5.896 1.00 0.00 H new ATOM 286 N LEU A 24 -8.266 -7.650 2.392 1.00 0.00 N ATOM 287 CA LEU A 24 -8.719 -6.620 1.473 1.00 0.00 C ATOM 288 C LEU A 24 -8.323 -7.004 0.046 1.00 0.00 C ATOM 289 O LEU A 24 -7.168 -7.338 -0.213 1.00 0.00 O ATOM 290 CB LEU A 24 -8.198 -5.248 1.908 1.00 0.00 C ATOM 291 CG LEU A 24 -8.305 -4.130 0.869 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.753 -3.945 0.410 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.701 -2.829 1.400 1.00 0.00 C ATOM 0 H LEU A 24 -7.262 -7.828 2.372 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.806 -6.544 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.743 -4.941 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.151 -5.353 2.194 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.725 -4.420 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.801 -3.144 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.115 -4.872 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.376 -3.687 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.790 -2.051 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.233 -2.522 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.649 -2.986 1.637 1.00 0.00 H new ATOM 305 N SER A 25 -9.304 -6.944 -0.842 1.00 0.00 N ATOM 306 CA SER A 25 -9.073 -7.282 -2.236 1.00 0.00 C ATOM 307 C SER A 25 -8.314 -6.149 -2.930 1.00 0.00 C ATOM 308 O SER A 25 -8.705 -4.986 -2.836 1.00 0.00 O ATOM 309 CB SER A 25 -10.391 -7.561 -2.962 1.00 0.00 C ATOM 310 OG SER A 25 -11.115 -6.364 -3.231 1.00 0.00 O ATOM 0 H SER A 25 -10.261 -6.666 -0.623 1.00 0.00 H new ATOM 0 HA SER A 25 -8.471 -8.190 -2.272 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.186 -8.079 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.005 -8.228 -2.356 1.00 0.00 H new ATOM 0 HG SER A 25 -11.949 -6.584 -3.696 1.00 0.00 H new ATOM 316 N LEU A 26 -7.243 -6.527 -3.612 1.00 0.00 N ATOM 317 CA LEU A 26 -6.426 -5.557 -4.321 1.00 0.00 C ATOM 318 C LEU A 26 -6.668 -5.696 -5.825 1.00 0.00 C ATOM 319 O LEU A 26 -7.006 -6.776 -6.306 1.00 0.00 O ATOM 320 CB LEU A 26 -4.956 -5.698 -3.919 1.00 0.00 C ATOM 321 CG LEU A 26 -4.689 -5.967 -2.437 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.283 -6.534 -2.227 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.930 -4.709 -1.600 1.00 0.00 C ATOM 0 H LEU A 26 -6.922 -7.492 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.712 -4.542 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.517 -6.509 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.433 -4.784 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.396 -6.723 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.119 -6.716 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.183 -7.471 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.545 -5.820 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.733 -4.927 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.264 -3.915 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.965 -4.388 -1.716 1.00 0.00 H new ATOM 335 N ALA A 27 -6.486 -4.586 -6.526 1.00 0.00 N ATOM 336 CA ALA A 27 -6.681 -4.570 -7.966 1.00 0.00 C ATOM 337 C ALA A 27 -5.528 -3.809 -8.624 1.00 0.00 C ATOM 338 O ALA A 27 -5.031 -2.829 -8.071 1.00 0.00 O ATOM 339 CB ALA A 27 -8.044 -3.957 -8.290 1.00 0.00 C ATOM 0 H ALA A 27 -6.206 -3.692 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.677 -5.584 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.190 -3.945 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.830 -4.551 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.085 -2.937 -7.907 1.00 0.00 H new ATOM 345 N PRO A 28 -5.126 -4.302 -9.826 1.00 0.00 N ATOM 346 CA PRO A 28 -4.041 -3.679 -10.565 1.00 0.00 C ATOM 347 C PRO A 28 -4.500 -2.372 -11.215 1.00 0.00 C ATOM 348 O PRO A 28 -5.324 -2.385 -12.128 1.00 0.00 O ATOM 349 CB PRO A 28 -3.603 -4.724 -11.577 1.00 0.00 C ATOM 350 CG PRO A 28 -4.754 -5.711 -11.682 1.00 0.00 C ATOM 351 CD PRO A 28 -5.691 -5.461 -10.511 1.00 0.00 C ATOM 0 HA PRO A 28 -3.207 -3.390 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.391 -4.267 -12.544 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.689 -5.223 -11.253 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.282 -5.583 -12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.382 -6.735 -11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.707 -5.263 -10.852 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.739 -6.327 -9.851 1.00 0.00 H new ATOM 359 N GLY A 29 -3.946 -1.275 -10.719 1.00 0.00 N ATOM 360 CA GLY A 29 -4.289 0.037 -11.241 1.00 0.00 C ATOM 361 C GLY A 29 -5.099 0.839 -10.220 1.00 0.00 C ATOM 362 O GLY A 29 -5.792 1.789 -10.580 1.00 0.00 O ATOM 0 H GLY A 29 -3.263 -1.268 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.379 0.580 -11.496 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.863 -0.072 -12.161 1.00 0.00 H new ATOM 366 N GLN A 30 -4.985 0.426 -8.966 1.00 0.00 N ATOM 367 CA GLN A 30 -5.698 1.093 -7.890 1.00 0.00 C ATOM 368 C GLN A 30 -4.708 1.681 -6.882 1.00 0.00 C ATOM 369 O GLN A 30 -3.501 1.481 -7.003 1.00 0.00 O ATOM 370 CB GLN A 30 -6.676 0.137 -7.205 1.00 0.00 C ATOM 371 CG GLN A 30 -7.918 -0.090 -8.070 1.00 0.00 C ATOM 372 CD GLN A 30 -9.125 -0.464 -7.208 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.163 0.176 -7.236 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.932 -1.534 -6.442 1.00 0.00 N ATOM 0 H GLN A 30 -4.409 -0.363 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.280 1.910 -8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.184 -0.816 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.971 0.544 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.139 0.813 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.723 -0.883 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.038 -2.024 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.678 -1.864 -5.830 1.00 0.00 H new ATOM 383 N LEU A 31 -5.257 2.394 -5.909 1.00 0.00 N ATOM 384 CA LEU A 31 -4.438 3.012 -4.881 1.00 0.00 C ATOM 385 C LEU A 31 -4.959 2.599 -3.503 1.00 0.00 C ATOM 386 O LEU A 31 -6.165 2.454 -3.310 1.00 0.00 O ATOM 387 CB LEU A 31 -4.374 4.527 -5.085 1.00 0.00 C ATOM 388 CG LEU A 31 -3.582 5.007 -6.304 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.619 6.532 -6.416 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.150 4.469 -6.273 1.00 0.00 C ATOM 0 H LEU A 31 -6.259 2.557 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.409 2.660 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.393 4.906 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.937 4.976 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.057 4.607 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.049 6.847 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.652 6.864 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.182 6.973 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.609 4.824 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.649 4.819 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.171 3.379 -6.277 1.00 0.00 H new ATOM 402 N ILE A 32 -4.025 2.422 -2.581 1.00 0.00 N ATOM 403 CA ILE A 32 -4.375 2.029 -1.226 1.00 0.00 C ATOM 404 C ILE A 32 -3.537 2.836 -0.233 1.00 0.00 C ATOM 405 O ILE A 32 -2.369 3.126 -0.491 1.00 0.00 O ATOM 406 CB ILE A 32 -4.240 0.514 -1.057 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.475 -0.210 -1.596 1.00 0.00 C ATOM 408 CG2 ILE A 32 -3.953 0.149 0.401 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.101 -1.574 -2.177 1.00 0.00 C ATOM 0 H ILE A 32 -3.026 2.543 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.421 2.258 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.387 0.179 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.203 -0.339 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.951 0.399 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.862 -0.933 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.023 0.620 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.770 0.500 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.997 -2.067 -2.553 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.391 -1.440 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.648 -2.189 -1.399 1.00 0.00 H new ATOM 421 N LEU A 33 -4.165 3.176 0.883 1.00 0.00 N ATOM 422 CA LEU A 33 -3.492 3.944 1.917 1.00 0.00 C ATOM 423 C LEU A 33 -3.061 3.005 3.045 1.00 0.00 C ATOM 424 O LEU A 33 -3.902 2.422 3.727 1.00 0.00 O ATOM 425 CB LEU A 33 -4.374 5.103 2.384 1.00 0.00 C ATOM 426 CG LEU A 33 -3.687 6.164 3.246 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.677 7.250 3.671 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.987 5.526 4.447 1.00 0.00 C ATOM 0 H LEU A 33 -5.133 2.934 1.094 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.586 4.403 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.792 5.593 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.211 4.692 2.948 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.917 6.647 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.163 7.992 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.090 7.733 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.485 6.800 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.507 6.302 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.720 5.001 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.234 4.820 4.097 1.00 0.00 H new ATOM 440 N ILE A 34 -1.751 2.887 3.206 1.00 0.00 N ATOM 441 CA ILE A 34 -1.199 2.028 4.240 1.00 0.00 C ATOM 442 C ILE A 34 -1.544 2.605 5.615 1.00 0.00 C ATOM 443 O ILE A 34 -1.254 3.767 5.894 1.00 0.00 O ATOM 444 CB ILE A 34 0.300 1.820 4.020 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.573 1.212 2.642 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.910 0.983 5.146 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.217 -0.085 2.450 1.00 0.00 C ATOM 0 H ILE A 34 -1.056 3.372 2.638 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.646 1.035 4.189 1.00 0.00 H new ATOM 0 HB ILE A 34 0.786 2.795 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.301 1.926 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.639 1.013 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.977 0.851 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.765 1.493 6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.424 0.008 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.006 -0.497 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.075 -0.805 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.284 0.123 2.536 1.00 0.00 H new ATOM 459 N LEU A 35 -2.159 1.767 6.436 1.00 0.00 N ATOM 460 CA LEU A 35 -2.546 2.179 7.774 1.00 0.00 C ATOM 461 C LEU A 35 -1.745 1.378 8.802 1.00 0.00 C ATOM 462 O LEU A 35 -1.375 1.902 9.851 1.00 0.00 O ATOM 463 CB LEU A 35 -4.062 2.066 7.952 1.00 0.00 C ATOM 464 CG LEU A 35 -4.915 2.643 6.820 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.207 1.843 6.646 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.187 4.132 7.043 1.00 0.00 C ATOM 0 H LEU A 35 -2.399 0.804 6.200 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.307 3.231 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.316 1.013 8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.337 2.568 8.880 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.354 2.555 5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.795 2.273 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.964 0.807 6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.783 1.877 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.795 4.517 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.718 4.268 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.242 4.673 7.079 1.00 0.00 H new ATOM 478 N LYS A 36 -1.501 0.120 8.465 1.00 0.00 N ATOM 479 CA LYS A 36 -0.750 -0.759 9.345 1.00 0.00 C ATOM 480 C LYS A 36 0.057 -1.749 8.504 1.00 0.00 C ATOM 481 O LYS A 36 -0.379 -2.155 7.428 1.00 0.00 O ATOM 482 CB LYS A 36 -1.684 -1.429 10.356 1.00 0.00 C ATOM 483 CG LYS A 36 -1.012 -1.550 11.726 1.00 0.00 C ATOM 484 CD LYS A 36 -2.049 -1.509 12.850 1.00 0.00 C ATOM 485 CE LYS A 36 -2.233 -2.893 13.477 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.946 -2.786 14.769 1.00 0.00 N ATOM 0 H LYS A 36 -1.810 -0.312 7.594 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.035 -0.186 9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.603 -0.850 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.966 -2.419 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.450 -2.483 11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.296 -0.739 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.734 -0.798 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.002 -1.154 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.794 -3.535 12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.261 -3.362 13.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.062 -3.734 15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.396 -2.191 15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.881 -2.358 14.615 1.00 0.00 H new ATOM 500 N LYS A 37 1.221 -2.108 9.025 1.00 0.00 N ATOM 501 CA LYS A 37 2.094 -3.043 8.335 1.00 0.00 C ATOM 502 C LYS A 37 2.474 -4.178 9.288 1.00 0.00 C ATOM 503 O LYS A 37 2.922 -3.930 10.406 1.00 0.00 O ATOM 504 CB LYS A 37 3.298 -2.311 7.739 1.00 0.00 C ATOM 505 CG LYS A 37 2.857 -1.306 6.673 1.00 0.00 C ATOM 506 CD LYS A 37 4.024 -0.930 5.758 1.00 0.00 C ATOM 507 CE LYS A 37 4.445 0.525 5.976 1.00 0.00 C ATOM 508 NZ LYS A 37 5.624 0.595 6.867 1.00 0.00 N ATOM 0 H LYS A 37 1.580 -1.768 9.917 1.00 0.00 H new ATOM 0 HA LYS A 37 1.575 -3.496 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.841 -1.793 8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.986 -3.033 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.048 -1.731 6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.463 -0.410 7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.870 -1.590 5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.737 -1.077 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.678 0.990 5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.619 1.088 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.897 1.589 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.390 0.170 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.416 0.075 6.437 1.00 0.00 H new ATOM 522 N ASN A 38 2.280 -5.398 8.810 1.00 0.00 N ATOM 523 CA ASN A 38 2.597 -6.572 9.606 1.00 0.00 C ATOM 524 C ASN A 38 4.062 -6.952 9.385 1.00 0.00 C ATOM 525 O ASN A 38 4.721 -6.412 8.498 1.00 0.00 O ATOM 526 CB ASN A 38 1.732 -7.766 9.195 1.00 0.00 C ATOM 527 CG ASN A 38 1.756 -8.856 10.268 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.447 -8.762 11.270 1.00 0.00 O ATOM 529 ND2 ASN A 38 0.966 -9.893 10.004 1.00 0.00 N ATOM 0 H ASN A 38 1.907 -5.599 7.882 1.00 0.00 H new ATOM 0 HA ASN A 38 2.407 -6.332 10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.706 -7.437 9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.093 -8.173 8.250 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.912 -10.673 10.659 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.414 -9.908 9.147 1.00 0.00 H new ATOM 536 N THR A 39 4.530 -7.880 10.208 1.00 0.00 N ATOM 537 CA THR A 39 5.906 -8.338 10.114 1.00 0.00 C ATOM 538 C THR A 39 5.990 -9.599 9.251 1.00 0.00 C ATOM 539 O THR A 39 7.010 -10.286 9.247 1.00 0.00 O ATOM 540 CB THR A 39 6.436 -8.538 11.535 1.00 0.00 C ATOM 541 OG1 THR A 39 7.816 -8.842 11.351 1.00 0.00 O ATOM 542 CG2 THR A 39 5.864 -9.790 12.203 1.00 0.00 C ATOM 0 H THR A 39 3.981 -8.327 10.942 1.00 0.00 H new ATOM 0 HA THR A 39 6.536 -7.600 9.618 1.00 0.00 H new ATOM 0 HB THR A 39 6.195 -7.663 12.139 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.926 -9.388 10.545 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.273 -9.885 13.209 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.778 -9.709 12.258 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.133 -10.670 11.618 1.00 0.00 H new ATOM 550 N SER A 40 4.903 -9.866 8.541 1.00 0.00 N ATOM 551 CA SER A 40 4.841 -11.032 7.677 1.00 0.00 C ATOM 552 C SER A 40 4.760 -10.595 6.213 1.00 0.00 C ATOM 553 O SER A 40 5.304 -11.259 5.332 1.00 0.00 O ATOM 554 CB SER A 40 3.646 -11.918 8.033 1.00 0.00 C ATOM 555 OG SER A 40 3.954 -13.304 7.912 1.00 0.00 O ATOM 0 H SER A 40 4.058 -9.294 8.547 1.00 0.00 H new ATOM 0 HA SER A 40 5.749 -11.616 7.825 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.328 -11.705 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.807 -11.675 7.381 1.00 0.00 H new ATOM 0 HG SER A 40 3.166 -13.836 8.150 1.00 0.00 H new ATOM 561 N GLY A 41 4.076 -9.480 5.999 1.00 0.00 N ATOM 562 CA GLY A 41 3.917 -8.946 4.657 1.00 0.00 C ATOM 563 C GLY A 41 2.520 -8.355 4.464 1.00 0.00 C ATOM 564 O GLY A 41 2.311 -7.520 3.585 1.00 0.00 O ATOM 0 H GLY A 41 3.626 -8.932 6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.669 -8.178 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.086 -9.736 3.925 1.00 0.00 H new ATOM 568 N TRP A 42 1.598 -8.812 5.299 1.00 0.00 N ATOM 569 CA TRP A 42 0.226 -8.339 5.232 1.00 0.00 C ATOM 570 C TRP A 42 0.205 -6.881 5.695 1.00 0.00 C ATOM 571 O TRP A 42 0.709 -6.560 6.770 1.00 0.00 O ATOM 572 CB TRP A 42 -0.705 -9.238 6.047 1.00 0.00 C ATOM 573 CG TRP A 42 -0.851 -10.654 5.485 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.086 -11.725 5.737 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.861 -11.112 4.562 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.526 -12.835 5.046 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.640 -12.451 4.308 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.926 -10.419 3.960 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.442 -13.211 3.449 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.718 -11.193 3.104 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.509 -12.541 2.838 1.00 0.00 C ATOM 0 H TRP A 42 1.775 -9.505 6.026 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.148 -8.385 4.209 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.331 -9.300 7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.690 -8.774 6.096 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.768 -11.720 6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.110 -13.766 5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.118 -9.372 4.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.248 -14.258 3.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.550 -10.708 2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.166 -13.069 2.163 1.00 0.00 H new ATOM 592 N TRP A 43 -0.382 -6.036 4.860 1.00 0.00 N ATOM 593 CA TRP A 43 -0.475 -4.620 5.171 1.00 0.00 C ATOM 594 C TRP A 43 -1.955 -4.269 5.338 1.00 0.00 C ATOM 595 O TRP A 43 -2.801 -4.758 4.592 1.00 0.00 O ATOM 596 CB TRP A 43 0.222 -3.777 4.101 1.00 0.00 C ATOM 597 CG TRP A 43 1.749 -3.865 4.137 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.515 -4.579 4.973 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.670 -3.184 3.259 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.857 -4.408 4.701 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.954 -3.533 3.625 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.427 -2.303 2.191 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.096 -3.047 2.976 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.578 -1.825 1.553 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.877 -2.167 1.909 1.00 0.00 C ATOM 0 H TRP A 43 -0.798 -6.305 3.968 1.00 0.00 H new ATOM 0 HA TRP A 43 0.044 -4.395 6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.127 -4.095 3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.075 -2.735 4.223 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.130 -5.209 5.761 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.634 -4.843 5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.431 -2.017 1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.091 -3.335 3.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.447 -1.143 0.726 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.714 -1.756 1.365 1.00 0.00 H new ATOM 616 N GLN A 44 -2.222 -3.423 6.322 1.00 0.00 N ATOM 617 CA GLN A 44 -3.584 -3.000 6.597 1.00 0.00 C ATOM 618 C GLN A 44 -3.784 -1.543 6.175 1.00 0.00 C ATOM 619 O GLN A 44 -3.430 -0.625 6.913 1.00 0.00 O ATOM 620 CB GLN A 44 -3.932 -3.195 8.074 1.00 0.00 C ATOM 621 CG GLN A 44 -5.446 -3.158 8.291 1.00 0.00 C ATOM 622 CD GLN A 44 -5.786 -3.157 9.783 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.974 -2.826 10.631 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.029 -3.545 10.054 1.00 0.00 N ATOM 0 H GLN A 44 -1.517 -3.019 6.939 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.261 -3.623 6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.535 -4.148 8.422 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.457 -2.415 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.863 -2.269 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.907 -4.020 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.658 -3.809 9.295 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.354 -3.579 11.020 1.00 0.00 H new ATOM 633 N GLY A 45 -4.350 -1.376 4.989 1.00 0.00 N ATOM 634 CA GLY A 45 -4.600 -0.046 4.459 1.00 0.00 C ATOM 635 C GLY A 45 -6.043 0.085 3.966 1.00 0.00 C ATOM 636 O GLY A 45 -6.868 -0.796 4.207 1.00 0.00 O ATOM 0 H GLY A 45 -4.643 -2.140 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.406 0.699 5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.912 0.158 3.639 1.00 0.00 H new ATOM 640 N GLU A 46 -6.303 1.190 3.284 1.00 0.00 N ATOM 641 CA GLU A 46 -7.632 1.448 2.755 1.00 0.00 C ATOM 642 C GLU A 46 -7.559 1.729 1.253 1.00 0.00 C ATOM 643 O GLU A 46 -6.702 2.485 0.800 1.00 0.00 O ATOM 644 CB GLU A 46 -8.303 2.605 3.497 1.00 0.00 C ATOM 645 CG GLU A 46 -9.826 2.467 3.467 1.00 0.00 C ATOM 646 CD GLU A 46 -10.501 3.690 4.090 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.164 4.810 3.649 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.338 3.478 4.993 1.00 0.00 O ATOM 0 H GLU A 46 -5.616 1.917 3.085 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.243 0.558 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.957 2.628 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.011 3.551 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.163 2.346 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.124 1.568 4.007 1.00 0.00 H new ATOM 655 N LEU A 47 -8.471 1.104 0.522 1.00 0.00 N ATOM 656 CA LEU A 47 -8.521 1.277 -0.920 1.00 0.00 C ATOM 657 C LEU A 47 -8.869 2.731 -1.243 1.00 0.00 C ATOM 658 O LEU A 47 -9.990 3.174 -0.997 1.00 0.00 O ATOM 659 CB LEU A 47 -9.478 0.261 -1.548 1.00 0.00 C ATOM 660 CG LEU A 47 -8.977 -0.438 -2.814 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.663 -1.793 -3.000 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.144 0.462 -4.040 1.00 0.00 C ATOM 0 H LEU A 47 -9.181 0.477 0.901 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.545 1.077 -1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.708 -0.501 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.413 0.769 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.910 -0.630 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.289 -2.269 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.449 -2.430 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.740 -1.647 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.780 -0.059 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.198 0.707 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.573 1.379 -3.898 1.00 0.00 H new ATOM 674 N GLN A 48 -7.888 3.434 -1.789 1.00 0.00 N ATOM 675 CA GLN A 48 -8.077 4.829 -2.149 1.00 0.00 C ATOM 676 C GLN A 48 -8.547 4.944 -3.600 1.00 0.00 C ATOM 677 O GLN A 48 -8.164 5.875 -4.308 1.00 0.00 O ATOM 678 CB GLN A 48 -6.794 5.632 -1.922 1.00 0.00 C ATOM 679 CG GLN A 48 -6.392 5.618 -0.446 1.00 0.00 C ATOM 680 CD GLN A 48 -7.406 6.383 0.406 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.861 7.460 0.057 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.734 5.769 1.539 1.00 0.00 N ATOM 0 H GLN A 48 -6.959 3.064 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.849 5.249 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.988 5.215 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.941 6.660 -2.253 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.320 4.589 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.404 6.064 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.315 4.868 1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.404 6.199 2.177 1.00 0.00 H new ATOM 800 N GLN A 55 -12.990 0.549 1.433 1.00 0.00 N ATOM 801 CA GLN A 55 -12.342 -0.749 1.517 1.00 0.00 C ATOM 802 C GLN A 55 -11.174 -0.696 2.503 1.00 0.00 C ATOM 803 O GLN A 55 -10.268 0.123 2.354 1.00 0.00 O ATOM 804 CB GLN A 55 -11.875 -1.219 0.138 1.00 0.00 C ATOM 805 CG GLN A 55 -12.932 -2.101 -0.528 1.00 0.00 C ATOM 806 CD GLN A 55 -13.672 -1.336 -1.627 1.00 0.00 C ATOM 807 OE1 GLN A 55 -14.835 -0.988 -1.502 1.00 0.00 O ATOM 808 NE2 GLN A 55 -12.935 -1.094 -2.708 1.00 0.00 N ATOM 0 HA GLN A 55 -13.069 -1.473 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.667 -0.355 -0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.942 -1.774 0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.457 -2.986 -0.952 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.644 -2.449 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.967 -1.413 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.338 -0.589 -3.497 1.00 0.00 H new ATOM 817 N LYS A 56 -11.233 -1.579 3.489 1.00 0.00 N ATOM 818 CA LYS A 56 -10.191 -1.643 4.500 1.00 0.00 C ATOM 819 C LYS A 56 -10.016 -3.093 4.955 1.00 0.00 C ATOM 820 O LYS A 56 -10.984 -3.749 5.335 1.00 0.00 O ATOM 821 CB LYS A 56 -10.493 -0.672 5.643 1.00 0.00 C ATOM 822 CG LYS A 56 -9.221 -0.328 6.421 1.00 0.00 C ATOM 823 CD LYS A 56 -9.058 -1.240 7.638 1.00 0.00 C ATOM 824 CE LYS A 56 -9.184 -0.446 8.939 1.00 0.00 C ATOM 825 NZ LYS A 56 -7.998 0.417 9.137 1.00 0.00 N ATOM 0 H LYS A 56 -11.986 -2.256 3.609 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.236 -1.322 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.936 0.240 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.227 -1.114 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.353 -0.428 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.259 0.712 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.814 -2.025 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.086 -1.732 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.086 0.166 8.913 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.288 -1.130 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.653 0.314 10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.249 0.135 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.258 1.409 8.965 1.00 0.00 H new ATOM 839 N GLY A 57 -8.774 -3.551 4.900 1.00 0.00 N ATOM 840 CA GLY A 57 -8.460 -4.912 5.302 1.00 0.00 C ATOM 841 C GLY A 57 -6.955 -5.175 5.217 1.00 0.00 C ATOM 842 O GLY A 57 -6.169 -4.249 5.018 1.00 0.00 O ATOM 0 H GLY A 57 -7.973 -3.004 4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.806 -5.083 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.993 -5.616 4.663 1.00 0.00 H new ATOM 846 N TRP A 58 -6.598 -6.442 5.372 1.00 0.00 N ATOM 847 CA TRP A 58 -5.202 -6.838 5.315 1.00 0.00 C ATOM 848 C TRP A 58 -4.938 -7.446 3.936 1.00 0.00 C ATOM 849 O TRP A 58 -5.795 -8.136 3.384 1.00 0.00 O ATOM 850 CB TRP A 58 -4.854 -7.788 6.463 1.00 0.00 C ATOM 851 CG TRP A 58 -4.833 -7.119 7.839 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.861 -6.917 8.674 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.679 -6.570 8.510 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.456 -6.280 9.830 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.087 -6.062 9.727 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.335 -6.504 8.103 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.214 -5.452 10.635 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.474 -5.892 9.022 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.870 -5.376 10.250 1.00 0.00 C ATOM 0 H TRP A 58 -7.252 -7.207 5.537 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.551 -5.973 5.445 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.577 -8.604 6.478 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.877 -8.231 6.271 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.879 -7.215 8.469 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.052 -6.018 10.615 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.993 -6.895 7.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.558 -5.061 11.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.430 -5.816 8.758 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.144 -4.918 10.905 1.00 0.00 H new ATOM 870 N PHE A 59 -3.751 -7.169 3.419 1.00 0.00 N ATOM 871 CA PHE A 59 -3.364 -7.680 2.115 1.00 0.00 C ATOM 872 C PHE A 59 -1.842 -7.774 1.992 1.00 0.00 C ATOM 873 O PHE A 59 -1.114 -7.110 2.727 1.00 0.00 O ATOM 874 CB PHE A 59 -3.887 -6.689 1.073 1.00 0.00 C ATOM 875 CG PHE A 59 -3.180 -5.332 1.094 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.907 -5.222 0.628 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.824 -4.237 1.579 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.251 -3.963 0.647 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.167 -2.978 1.598 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.895 -2.867 1.132 1.00 0.00 C ATOM 0 H PHE A 59 -3.043 -6.597 3.880 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.776 -8.679 1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.778 -7.129 0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.953 -6.534 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.395 -6.092 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.835 -4.325 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.240 -3.875 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.678 -2.108 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.396 -1.909 1.147 1.00 0.00 H new ATOM 890 N PRO A 60 -1.395 -8.628 1.032 1.00 0.00 N ATOM 891 CA PRO A 60 0.028 -8.818 0.804 1.00 0.00 C ATOM 892 C PRO A 60 0.630 -7.619 0.067 1.00 0.00 C ATOM 893 O PRO A 60 0.090 -7.172 -0.944 1.00 0.00 O ATOM 894 CB PRO A 60 0.129 -10.112 0.014 1.00 0.00 C ATOM 895 CG PRO A 60 -1.253 -10.355 -0.570 1.00 0.00 C ATOM 896 CD PRO A 60 -2.228 -9.431 0.142 1.00 0.00 C ATOM 0 HA PRO A 60 0.598 -8.886 1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.877 -10.030 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.432 -10.939 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.254 -10.159 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.546 -11.396 -0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.769 -8.804 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.974 -9.997 0.701 1.00 0.00 H new ATOM 904 N ALA A 61 1.739 -7.133 0.603 1.00 0.00 N ATOM 905 CA ALA A 61 2.421 -5.995 0.010 1.00 0.00 C ATOM 906 C ALA A 61 3.085 -6.429 -1.298 1.00 0.00 C ATOM 907 O ALA A 61 3.436 -5.591 -2.128 1.00 0.00 O ATOM 908 CB ALA A 61 3.425 -5.421 1.011 1.00 0.00 C ATOM 0 H ALA A 61 2.183 -7.506 1.442 1.00 0.00 H new ATOM 0 HA ALA A 61 1.710 -5.204 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.936 -4.568 0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.899 -5.100 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.156 -6.186 1.272 1.00 0.00 H new ATOM 914 N SER A 62 3.238 -7.737 -1.442 1.00 0.00 N ATOM 915 CA SER A 62 3.854 -8.293 -2.635 1.00 0.00 C ATOM 916 C SER A 62 2.949 -8.061 -3.847 1.00 0.00 C ATOM 917 O SER A 62 3.364 -8.276 -4.985 1.00 0.00 O ATOM 918 CB SER A 62 4.139 -9.786 -2.463 1.00 0.00 C ATOM 919 OG SER A 62 5.189 -10.024 -1.528 1.00 0.00 O ATOM 0 H SER A 62 2.946 -8.429 -0.752 1.00 0.00 H new ATOM 0 HA SER A 62 4.805 -7.786 -2.797 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.233 -10.292 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.407 -10.218 -3.427 1.00 0.00 H new ATOM 0 HG SER A 62 5.340 -10.989 -1.444 1.00 0.00 H new ATOM 925 N HIS A 63 1.730 -7.627 -3.561 1.00 0.00 N ATOM 926 CA HIS A 63 0.764 -7.365 -4.614 1.00 0.00 C ATOM 927 C HIS A 63 0.794 -5.880 -4.980 1.00 0.00 C ATOM 928 O HIS A 63 0.319 -5.489 -6.045 1.00 0.00 O ATOM 929 CB HIS A 63 -0.630 -7.846 -4.204 1.00 0.00 C ATOM 930 CG HIS A 63 -0.912 -9.286 -4.561 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.668 -9.651 -5.661 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.531 -10.446 -3.954 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.734 -10.973 -5.704 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.029 -11.464 -4.644 1.00 0.00 N ATOM 0 H HIS A 63 1.390 -7.450 -2.616 1.00 0.00 H new ATOM 0 HA HIS A 63 1.032 -7.929 -5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.745 -7.720 -3.127 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.377 -7.211 -4.680 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.101 -9.010 -6.326 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.074 -10.523 -3.063 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.254 -11.559 -6.447 1.00 0.00 H new ATOM 942 N VAL A 64 1.358 -5.092 -4.076 1.00 0.00 N ATOM 943 CA VAL A 64 1.457 -3.658 -4.291 1.00 0.00 C ATOM 944 C VAL A 64 2.925 -3.236 -4.215 1.00 0.00 C ATOM 945 O VAL A 64 3.796 -4.054 -3.925 1.00 0.00 O ATOM 946 CB VAL A 64 0.569 -2.917 -3.288 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.794 -3.599 -3.153 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.260 -2.797 -1.928 1.00 0.00 C ATOM 0 H VAL A 64 1.751 -5.419 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 64 1.094 -3.394 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 64 0.402 -1.909 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.405 -3.052 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.294 -3.608 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.656 -4.623 -2.807 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.608 -2.267 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.472 -3.793 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.194 -2.246 -2.042 1.00 0.00 H new ATOM 958 N LYS A 65 3.155 -1.958 -4.482 1.00 0.00 N ATOM 959 CA LYS A 65 4.503 -1.417 -4.449 1.00 0.00 C ATOM 960 C LYS A 65 4.477 -0.035 -3.794 1.00 0.00 C ATOM 961 O LYS A 65 3.695 0.829 -4.189 1.00 0.00 O ATOM 962 CB LYS A 65 5.117 -1.422 -5.850 1.00 0.00 C ATOM 963 CG LYS A 65 4.484 -0.343 -6.730 1.00 0.00 C ATOM 964 CD LYS A 65 5.095 -0.352 -8.133 1.00 0.00 C ATOM 965 CE LYS A 65 5.949 0.896 -8.367 1.00 0.00 C ATOM 966 NZ LYS A 65 5.385 1.711 -9.466 1.00 0.00 N ATOM 0 H LYS A 65 2.430 -1.282 -4.722 1.00 0.00 H new ATOM 0 HA LYS A 65 5.151 -2.047 -3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.192 -1.255 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.975 -2.400 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.409 -0.508 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.629 0.636 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.707 -1.245 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.302 -0.399 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.995 1.489 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.971 0.604 -8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.847 2.643 -9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.548 1.230 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.363 1.834 -9.318 1.00 0.00 H new ATOM 980 N LEU A 66 5.340 0.132 -2.803 1.00 0.00 N ATOM 981 CA LEU A 66 5.426 1.395 -2.090 1.00 0.00 C ATOM 982 C LEU A 66 5.851 2.497 -3.062 1.00 0.00 C ATOM 983 O LEU A 66 6.761 2.304 -3.866 1.00 0.00 O ATOM 984 CB LEU A 66 6.344 1.262 -0.873 1.00 0.00 C ATOM 985 CG LEU A 66 5.654 0.951 0.457 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.654 0.983 1.614 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.472 1.893 0.695 1.00 0.00 C ATOM 0 H LEU A 66 5.986 -0.587 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 66 4.450 1.676 -1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.071 0.475 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.903 2.191 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 66 5.254 -0.061 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.138 0.759 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.433 0.240 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.105 1.973 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.999 1.650 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.827 2.923 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.747 1.777 -0.110 1.00 0.00 H new ATOM 999 N LEU A 67 5.170 3.629 -2.957 1.00 0.00 N ATOM 1000 CA LEU A 67 5.465 4.763 -3.817 1.00 0.00 C ATOM 1001 C LEU A 67 6.536 5.633 -3.157 1.00 0.00 C ATOM 1002 O LEU A 67 6.740 6.780 -3.552 1.00 0.00 O ATOM 1003 CB LEU A 67 4.182 5.522 -4.161 1.00 0.00 C ATOM 1004 CG LEU A 67 3.201 4.797 -5.084 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.175 5.770 -5.668 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.944 4.024 -6.176 1.00 0.00 C ATOM 0 H LEU A 67 4.415 3.785 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 67 5.872 4.423 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.666 5.763 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.457 6.468 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 67 2.651 4.067 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.490 5.228 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.613 6.236 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.690 6.540 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.223 3.518 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.538 4.717 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.601 3.286 -5.716 1.00 0.00 H new