USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 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 38 ASN : amide:sc= -2.55 K(o=-2.5,f=-5.1!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= 0.0236 USER MOD Set 2.1: A 13 THR OG1 : rot -2:sc= 0.472 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= -0.337 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 72:sc= 0.0935! USER MOD Single : A 23 GLN : amide:sc= -2.1 K(o=-2.1,f=-5.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -6.52! C(o=-6.5!,f=-5.5!) 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 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.15) USER MOD Single : A 55 GLN : amide:sc= -0.0159 K(o=-0.016,f=-0.52) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.3 K(o=-4.3,f=-8.8!) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.00478) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.228 6.376 3.705 1.00 0.00 N ATOM 67 CA GLU A 8 2.013 5.763 2.647 1.00 0.00 C ATOM 68 C GLU A 8 1.093 5.108 1.615 1.00 0.00 C ATOM 69 O GLU A 8 0.383 4.154 1.929 1.00 0.00 O ATOM 70 CB GLU A 8 3.006 4.749 3.219 1.00 0.00 C ATOM 71 CG GLU A 8 4.408 5.353 3.322 1.00 0.00 C ATOM 72 CD GLU A 8 5.482 4.271 3.196 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.590 3.465 4.146 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.171 4.274 2.153 1.00 0.00 O ATOM 0 HA GLU A 8 2.588 6.543 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.673 4.424 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.033 3.863 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.545 6.099 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.516 5.869 4.276 1.00 0.00 H new ATOM 81 N ILE A 9 1.136 5.646 0.405 1.00 0.00 N ATOM 82 CA ILE A 9 0.315 5.125 -0.675 1.00 0.00 C ATOM 83 C ILE A 9 1.072 4.003 -1.389 1.00 0.00 C ATOM 84 O ILE A 9 2.282 4.093 -1.587 1.00 0.00 O ATOM 85 CB ILE A 9 -0.127 6.257 -1.605 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.274 7.058 -0.985 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.488 5.718 -2.991 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.552 6.220 -0.911 1.00 0.00 C ATOM 0 H ILE A 9 1.726 6.437 0.149 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.603 4.690 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 9 0.712 6.941 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.993 7.388 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.457 7.955 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.799 6.543 -3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.381 5.226 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.304 5.001 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.351 6.813 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.844 5.912 -1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.373 5.336 -0.299 1.00 0.00 H new ATOM 100 N ALA A 10 0.326 2.971 -1.756 1.00 0.00 N ATOM 101 CA ALA A 10 0.911 1.832 -2.443 1.00 0.00 C ATOM 102 C ALA A 10 0.165 1.597 -3.758 1.00 0.00 C ATOM 103 O ALA A 10 -1.059 1.713 -3.811 1.00 0.00 O ATOM 104 CB ALA A 10 0.875 0.608 -1.526 1.00 0.00 C ATOM 0 H ALA A 10 -0.678 2.900 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 10 1.956 2.026 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.314 -0.246 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.443 0.816 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.158 0.381 -1.263 1.00 0.00 H new ATOM 110 N GLN A 11 0.933 1.272 -4.788 1.00 0.00 N ATOM 111 CA GLN A 11 0.359 1.020 -6.099 1.00 0.00 C ATOM 112 C GLN A 11 0.262 -0.485 -6.355 1.00 0.00 C ATOM 113 O GLN A 11 1.277 -1.179 -6.394 1.00 0.00 O ATOM 114 CB GLN A 11 1.172 1.711 -7.195 1.00 0.00 C ATOM 115 CG GLN A 11 0.693 1.285 -8.584 1.00 0.00 C ATOM 116 CD GLN A 11 1.007 2.361 -9.626 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.130 2.818 -9.765 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.044 2.738 -10.348 1.00 0.00 N ATOM 0 H GLN A 11 1.948 1.177 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.647 1.438 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.083 2.792 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.228 1.465 -7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.173 0.348 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.381 1.098 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.957 2.315 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.062 3.451 -11.070 1.00 0.00 H new ATOM 127 N VAL A 12 -0.969 -0.946 -6.523 1.00 0.00 N ATOM 128 CA VAL A 12 -1.212 -2.357 -6.774 1.00 0.00 C ATOM 129 C VAL A 12 -0.499 -2.771 -8.063 1.00 0.00 C ATOM 130 O VAL A 12 -0.675 -2.141 -9.104 1.00 0.00 O ATOM 131 CB VAL A 12 -2.717 -2.630 -6.810 1.00 0.00 C ATOM 132 CG1 VAL A 12 -3.000 -4.099 -7.129 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.381 -2.217 -5.495 1.00 0.00 C ATOM 0 H VAL A 12 -1.809 -0.368 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.804 -2.965 -5.966 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.148 -2.025 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.077 -4.266 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.576 -4.348 -8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.549 -4.731 -6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.450 -2.422 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.943 -2.783 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.223 -1.152 -5.327 1.00 0.00 H new ATOM 143 N THR A 13 0.293 -3.828 -7.949 1.00 0.00 N ATOM 144 CA THR A 13 1.034 -4.334 -9.092 1.00 0.00 C ATOM 145 C THR A 13 0.495 -5.702 -9.513 1.00 0.00 C ATOM 146 O THR A 13 0.866 -6.223 -10.564 1.00 0.00 O ATOM 147 CB THR A 13 2.518 -4.352 -8.722 1.00 0.00 C ATOM 148 OG1 THR A 13 2.571 -5.146 -7.540 1.00 0.00 O ATOM 149 CG2 THR A 13 3.027 -2.981 -8.274 1.00 0.00 C ATOM 0 H THR A 13 0.437 -4.347 -7.083 1.00 0.00 H new ATOM 0 HA THR A 13 0.909 -3.689 -9.962 1.00 0.00 H new ATOM 0 HB THR A 13 3.101 -4.693 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.664 -5.419 -7.289 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.085 -3.050 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.892 -2.261 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.467 -2.654 -7.398 1.00 0.00 H new ATOM 157 N SER A 14 -0.372 -6.246 -8.672 1.00 0.00 N ATOM 158 CA SER A 14 -0.965 -7.544 -8.944 1.00 0.00 C ATOM 159 C SER A 14 -2.309 -7.667 -8.223 1.00 0.00 C ATOM 160 O SER A 14 -2.413 -7.349 -7.039 1.00 0.00 O ATOM 161 CB SER A 14 -0.029 -8.678 -8.519 1.00 0.00 C ATOM 162 OG SER A 14 1.341 -8.297 -8.601 1.00 0.00 O ATOM 0 H SER A 14 -0.678 -5.811 -7.802 1.00 0.00 H new ATOM 0 HA SER A 14 -1.127 -7.627 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.262 -8.977 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.202 -9.548 -9.153 1.00 0.00 H new ATOM 0 HG SER A 14 1.906 -9.047 -8.320 1.00 0.00 H new ATOM 168 N ALA A 15 -3.304 -8.129 -8.966 1.00 0.00 N ATOM 169 CA ALA A 15 -4.636 -8.298 -8.412 1.00 0.00 C ATOM 170 C ALA A 15 -4.591 -9.344 -7.297 1.00 0.00 C ATOM 171 O ALA A 15 -3.799 -10.283 -7.353 1.00 0.00 O ATOM 172 CB ALA A 15 -5.609 -8.678 -9.530 1.00 0.00 C ATOM 0 H ALA A 15 -3.214 -8.392 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.991 -7.365 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.609 -8.805 -9.115 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.626 -7.889 -10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.287 -9.611 -9.991 1.00 0.00 H new ATOM 178 N TYR A 16 -5.453 -9.146 -6.309 1.00 0.00 N ATOM 179 CA TYR A 16 -5.521 -10.061 -5.182 1.00 0.00 C ATOM 180 C TYR A 16 -6.973 -10.329 -4.782 1.00 0.00 C ATOM 181 O TYR A 16 -7.857 -9.519 -5.056 1.00 0.00 O ATOM 182 CB TYR A 16 -4.807 -9.360 -4.025 1.00 0.00 C ATOM 183 CG TYR A 16 -5.008 -10.036 -2.668 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.364 -11.224 -2.387 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.834 -9.458 -1.725 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.554 -11.861 -1.109 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.023 -10.095 -0.447 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.374 -11.265 -0.202 1.00 0.00 C ATOM 189 OH TYR A 16 -5.553 -11.866 1.005 1.00 0.00 O ATOM 0 H TYR A 16 -6.109 -8.366 -6.266 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.064 -11.018 -5.436 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.740 -9.317 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.162 -8.331 -3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.718 -11.676 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.338 -8.529 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.057 -12.791 -0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.666 -9.653 0.300 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.736 -11.777 1.539 1.00 0.00 H new ATOM 269 N GLN A 23 -9.271 -9.471 5.381 1.00 0.00 N ATOM 270 CA GLN A 23 -8.456 -9.268 4.195 1.00 0.00 C ATOM 271 C GLN A 23 -9.004 -8.104 3.367 1.00 0.00 C ATOM 272 O GLN A 23 -10.073 -7.575 3.665 1.00 0.00 O ATOM 273 CB GLN A 23 -8.376 -10.547 3.359 1.00 0.00 C ATOM 274 CG GLN A 23 -7.012 -11.222 3.518 1.00 0.00 C ATOM 275 CD GLN A 23 -6.674 -11.432 4.995 1.00 0.00 C ATOM 276 OE1 GLN A 23 -6.306 -10.515 5.711 1.00 0.00 O ATOM 277 NE2 GLN A 23 -6.817 -12.688 5.410 1.00 0.00 N ATOM 0 HA GLN A 23 -7.444 -9.017 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.164 -11.235 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.549 -10.311 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.015 -12.182 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.242 -10.610 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.129 -13.408 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.615 -12.931 6.380 1.00 0.00 H new ATOM 286 N LEU A 24 -8.245 -7.740 2.343 1.00 0.00 N ATOM 287 CA LEU A 24 -8.642 -6.648 1.470 1.00 0.00 C ATOM 288 C LEU A 24 -8.316 -7.016 0.021 1.00 0.00 C ATOM 289 O LEU A 24 -7.180 -7.370 -0.293 1.00 0.00 O ATOM 290 CB LEU A 24 -8.004 -5.335 1.929 1.00 0.00 C ATOM 291 CG LEU A 24 -7.974 -4.207 0.897 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.375 -3.928 0.348 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.325 -2.949 1.478 1.00 0.00 C ATOM 0 H LEU A 24 -7.358 -8.181 2.099 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.719 -6.488 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.541 -4.981 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.981 -5.541 2.242 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.358 -4.529 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.325 -3.122 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.765 -4.827 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.035 -3.636 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.316 -2.162 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.894 -2.614 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.302 -3.174 1.780 1.00 0.00 H new ATOM 305 N SER A 25 -9.332 -6.919 -0.824 1.00 0.00 N ATOM 306 CA SER A 25 -9.167 -7.237 -2.232 1.00 0.00 C ATOM 307 C SER A 25 -8.407 -6.113 -2.937 1.00 0.00 C ATOM 308 O SER A 25 -8.826 -4.957 -2.901 1.00 0.00 O ATOM 309 CB SER A 25 -10.521 -7.467 -2.906 1.00 0.00 C ATOM 310 OG SER A 25 -11.345 -8.359 -2.161 1.00 0.00 O ATOM 0 H SER A 25 -10.272 -6.625 -0.561 1.00 0.00 H new ATOM 0 HA SER A 25 -8.591 -8.159 -2.309 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.034 -6.512 -3.023 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.364 -7.869 -3.907 1.00 0.00 H new ATOM 0 HG SER A 25 -12.201 -8.478 -2.624 1.00 0.00 H new ATOM 316 N LEU A 26 -7.301 -6.491 -3.562 1.00 0.00 N ATOM 317 CA LEU A 26 -6.478 -5.528 -4.275 1.00 0.00 C ATOM 318 C LEU A 26 -6.713 -5.678 -5.779 1.00 0.00 C ATOM 319 O LEU A 26 -6.990 -6.775 -6.262 1.00 0.00 O ATOM 320 CB LEU A 26 -5.012 -5.670 -3.864 1.00 0.00 C ATOM 321 CG LEU A 26 -4.750 -5.871 -2.370 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.333 -6.396 -2.128 1.00 0.00 C ATOM 323 CD2 LEU A 26 -5.027 -4.587 -1.587 1.00 0.00 C ATOM 0 H LEU A 26 -6.956 -7.450 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.763 -4.510 -4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.584 -6.514 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.476 -4.778 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.442 -6.628 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.172 -6.530 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.207 -7.352 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.609 -5.680 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.833 -4.758 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.377 -3.791 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.069 -4.296 -1.723 1.00 0.00 H new ATOM 335 N ALA A 27 -6.594 -4.559 -6.479 1.00 0.00 N ATOM 336 CA ALA A 27 -6.790 -4.552 -7.919 1.00 0.00 C ATOM 337 C ALA A 27 -5.637 -3.795 -8.582 1.00 0.00 C ATOM 338 O ALA A 27 -5.138 -2.813 -8.034 1.00 0.00 O ATOM 339 CB ALA A 27 -8.154 -3.942 -8.246 1.00 0.00 C ATOM 0 H ALA A 27 -6.364 -3.651 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.786 -5.569 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.301 -3.937 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.939 -4.534 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.195 -2.920 -7.869 1.00 0.00 H new ATOM 345 N PRO A 28 -5.239 -4.292 -9.784 1.00 0.00 N ATOM 346 CA PRO A 28 -4.155 -3.672 -10.527 1.00 0.00 C ATOM 347 C PRO A 28 -4.614 -2.367 -11.180 1.00 0.00 C ATOM 348 O PRO A 28 -5.426 -2.383 -12.104 1.00 0.00 O ATOM 349 CB PRO A 28 -3.722 -4.722 -11.538 1.00 0.00 C ATOM 350 CG PRO A 28 -4.875 -5.707 -11.636 1.00 0.00 C ATOM 351 CD PRO A 28 -5.808 -5.452 -10.463 1.00 0.00 C ATOM 0 HA PRO A 28 -3.319 -3.382 -9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.513 -4.268 -12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.808 -5.221 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.405 -5.581 -12.580 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.504 -6.732 -11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.825 -5.254 -10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.856 -6.316 -9.800 1.00 0.00 H new ATOM 359 N GLY A 29 -4.074 -1.268 -10.675 1.00 0.00 N ATOM 360 CA GLY A 29 -4.418 0.043 -11.198 1.00 0.00 C ATOM 361 C GLY A 29 -5.217 0.850 -10.172 1.00 0.00 C ATOM 362 O GLY A 29 -5.903 1.807 -10.528 1.00 0.00 O ATOM 0 H GLY A 29 -3.401 -1.258 -9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.509 0.583 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.001 -0.068 -12.113 1.00 0.00 H new ATOM 366 N GLN A 30 -5.100 0.435 -8.919 1.00 0.00 N ATOM 367 CA GLN A 30 -5.803 1.107 -7.840 1.00 0.00 C ATOM 368 C GLN A 30 -4.804 1.681 -6.833 1.00 0.00 C ATOM 369 O GLN A 30 -3.613 1.384 -6.897 1.00 0.00 O ATOM 370 CB GLN A 30 -6.790 0.159 -7.154 1.00 0.00 C ATOM 371 CG GLN A 30 -8.045 -0.036 -8.007 1.00 0.00 C ATOM 372 CD GLN A 30 -9.256 -0.367 -7.132 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.178 0.417 -6.981 1.00 0.00 O ATOM 374 NE2 GLN A 30 -9.202 -1.570 -6.566 1.00 0.00 N ATOM 0 H GLN A 30 -4.529 -0.358 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.377 1.931 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.312 -0.805 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.067 0.560 -6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.243 0.869 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.880 -0.839 -8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.400 -2.177 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.963 -1.885 -5.964 1.00 0.00 H new ATOM 383 N LEU A 31 -5.328 2.494 -5.926 1.00 0.00 N ATOM 384 CA LEU A 31 -4.497 3.112 -4.907 1.00 0.00 C ATOM 385 C LEU A 31 -5.028 2.734 -3.523 1.00 0.00 C ATOM 386 O LEU A 31 -6.238 2.653 -3.320 1.00 0.00 O ATOM 387 CB LEU A 31 -4.401 4.622 -5.137 1.00 0.00 C ATOM 388 CG LEU A 31 -3.631 5.063 -6.384 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.632 6.587 -6.518 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.213 4.488 -6.384 1.00 0.00 C ATOM 0 H LEU A 31 -6.317 2.738 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.475 2.737 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.412 5.025 -5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.929 5.073 -4.264 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.141 4.663 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.078 6.874 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.659 6.945 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.160 7.030 -5.641 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.687 4.816 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.678 4.838 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.262 3.399 -6.370 1.00 0.00 H new ATOM 402 N ILE A 32 -4.097 2.511 -2.608 1.00 0.00 N ATOM 403 CA ILE A 32 -4.456 2.143 -1.249 1.00 0.00 C ATOM 404 C ILE A 32 -3.609 2.952 -0.265 1.00 0.00 C ATOM 405 O ILE A 32 -2.502 3.376 -0.595 1.00 0.00 O ATOM 406 CB ILE A 32 -4.344 0.629 -1.056 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.573 -0.088 -1.618 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.098 0.280 0.413 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.203 -1.471 -2.157 1.00 0.00 C ATOM 0 H ILE A 32 -3.094 2.578 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.499 2.390 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.480 0.276 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.328 -0.188 -0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.015 0.510 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.022 -0.802 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.170 0.744 0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.926 0.649 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.095 -1.959 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.466 -1.366 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.784 -2.075 -1.352 1.00 0.00 H new ATOM 421 N LEU A 33 -4.161 3.143 0.924 1.00 0.00 N ATOM 422 CA LEU A 33 -3.470 3.894 1.959 1.00 0.00 C ATOM 423 C LEU A 33 -3.055 2.943 3.083 1.00 0.00 C ATOM 424 O LEU A 33 -3.906 2.362 3.755 1.00 0.00 O ATOM 425 CB LEU A 33 -4.330 5.068 2.432 1.00 0.00 C ATOM 426 CG LEU A 33 -3.624 6.103 3.311 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.945 7.175 2.457 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.593 6.710 4.328 1.00 0.00 C ATOM 0 H LEU A 33 -5.079 2.791 1.194 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.556 4.337 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.730 5.577 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.181 4.670 2.985 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.841 5.596 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.451 7.898 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.206 6.708 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.693 7.684 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.066 7.442 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.413 7.199 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.991 5.922 4.967 1.00 0.00 H new ATOM 440 N ILE A 34 -1.748 2.813 3.252 1.00 0.00 N ATOM 441 CA ILE A 34 -1.209 1.942 4.283 1.00 0.00 C ATOM 442 C ILE A 34 -1.547 2.519 5.659 1.00 0.00 C ATOM 443 O ILE A 34 -1.199 3.659 5.961 1.00 0.00 O ATOM 444 CB ILE A 34 0.287 1.712 4.063 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.560 1.188 2.651 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.864 0.789 5.138 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.080 -0.186 2.444 1.00 0.00 C ATOM 0 H ILE A 34 -1.046 3.296 2.692 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.670 0.956 4.228 1.00 0.00 H new ATOM 0 HB ILE A 34 0.797 2.671 4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.167 1.891 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.635 1.121 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.929 0.642 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.721 1.240 6.120 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.354 -0.174 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.129 -0.536 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.333 -0.892 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.158 -0.110 2.587 1.00 0.00 H new ATOM 459 N LEU A 35 -2.221 1.705 6.458 1.00 0.00 N ATOM 460 CA LEU A 35 -2.610 2.120 7.795 1.00 0.00 C ATOM 461 C LEU A 35 -1.813 1.317 8.825 1.00 0.00 C ATOM 462 O LEU A 35 -1.475 1.831 9.891 1.00 0.00 O ATOM 463 CB LEU A 35 -4.126 2.012 7.970 1.00 0.00 C ATOM 464 CG LEU A 35 -4.975 2.565 6.824 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.190 1.672 6.561 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.377 4.017 7.090 1.00 0.00 C ATOM 0 H LEU A 35 -2.508 0.759 6.205 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.369 3.171 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.381 0.962 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.404 2.533 8.886 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.370 2.560 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.777 2.088 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.854 0.670 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.806 1.622 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.980 4.386 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.957 4.071 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.481 4.630 7.188 1.00 0.00 H new ATOM 478 N LYS A 36 -1.536 0.071 8.472 1.00 0.00 N ATOM 479 CA LYS A 36 -0.785 -0.808 9.353 1.00 0.00 C ATOM 480 C LYS A 36 0.064 -1.762 8.511 1.00 0.00 C ATOM 481 O LYS A 36 -0.279 -2.060 7.368 1.00 0.00 O ATOM 482 CB LYS A 36 -1.725 -1.518 10.329 1.00 0.00 C ATOM 483 CG LYS A 36 -1.183 -1.452 11.758 1.00 0.00 C ATOM 484 CD LYS A 36 -1.766 -0.254 12.510 1.00 0.00 C ATOM 485 CE LYS A 36 -2.719 -0.712 13.616 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.137 -0.437 14.949 1.00 0.00 N ATOM 0 H LYS A 36 -1.818 -0.352 7.588 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.097 -0.231 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.712 -1.057 10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.847 -2.559 10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.429 -2.373 12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.096 -1.378 11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.958 0.337 12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.297 0.394 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.675 -0.197 13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.919 -1.779 13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.797 -0.754 15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.236 -0.948 15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.969 0.584 15.050 1.00 0.00 H new ATOM 500 N LYS A 37 1.156 -2.216 9.109 1.00 0.00 N ATOM 501 CA LYS A 37 2.056 -3.131 8.428 1.00 0.00 C ATOM 502 C LYS A 37 2.324 -4.340 9.328 1.00 0.00 C ATOM 503 O LYS A 37 2.073 -4.290 10.531 1.00 0.00 O ATOM 504 CB LYS A 37 3.326 -2.402 7.984 1.00 0.00 C ATOM 505 CG LYS A 37 3.075 -1.590 6.712 1.00 0.00 C ATOM 506 CD LYS A 37 4.392 -1.093 6.111 1.00 0.00 C ATOM 507 CE LYS A 37 4.241 0.327 5.560 1.00 0.00 C ATOM 508 NZ LYS A 37 4.382 1.322 6.647 1.00 0.00 N ATOM 0 H LYS A 37 1.438 -1.967 10.057 1.00 0.00 H new ATOM 0 HA LYS A 37 1.596 -3.508 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.667 -1.741 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.122 -3.125 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.547 -2.204 5.982 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.431 -0.740 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.173 -1.111 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.709 -1.765 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.994 0.508 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.267 0.437 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.277 2.280 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.648 1.158 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.321 1.228 7.084 1.00 0.00 H new ATOM 522 N ASN A 38 2.830 -5.397 8.709 1.00 0.00 N ATOM 523 CA ASN A 38 3.134 -6.616 9.439 1.00 0.00 C ATOM 524 C ASN A 38 4.469 -7.179 8.948 1.00 0.00 C ATOM 525 O ASN A 38 4.858 -6.955 7.803 1.00 0.00 O ATOM 526 CB ASN A 38 2.059 -7.679 9.207 1.00 0.00 C ATOM 527 CG ASN A 38 2.358 -8.946 10.011 1.00 0.00 C ATOM 528 OD1 ASN A 38 3.016 -8.919 11.038 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.840 -10.053 9.489 1.00 0.00 N ATOM 0 H ASN A 38 3.037 -5.434 7.711 1.00 0.00 H new ATOM 0 HA ASN A 38 3.177 -6.372 10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.084 -7.284 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.006 -7.922 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.984 -10.951 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.299 -10.005 8.626 1.00 0.00 H new ATOM 536 N THR A 39 5.135 -7.899 9.839 1.00 0.00 N ATOM 537 CA THR A 39 6.418 -8.496 9.511 1.00 0.00 C ATOM 538 C THR A 39 6.241 -9.605 8.473 1.00 0.00 C ATOM 539 O THR A 39 7.120 -9.830 7.643 1.00 0.00 O ATOM 540 CB THR A 39 7.062 -8.978 10.812 1.00 0.00 C ATOM 541 OG1 THR A 39 6.071 -9.818 11.399 1.00 0.00 O ATOM 542 CG2 THR A 39 7.244 -7.850 11.829 1.00 0.00 C ATOM 0 H THR A 39 4.810 -8.082 10.788 1.00 0.00 H new ATOM 0 HA THR A 39 7.086 -7.768 9.051 1.00 0.00 H new ATOM 0 HB THR A 39 8.030 -9.428 10.592 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.406 -10.176 12.248 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.705 -8.247 12.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.885 -7.077 11.404 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.272 -7.421 12.075 1.00 0.00 H new ATOM 550 N SER A 40 5.097 -10.269 8.554 1.00 0.00 N ATOM 551 CA SER A 40 4.793 -11.350 7.631 1.00 0.00 C ATOM 552 C SER A 40 4.737 -10.816 6.199 1.00 0.00 C ATOM 553 O SER A 40 5.296 -11.421 5.285 1.00 0.00 O ATOM 554 CB SER A 40 3.471 -12.029 7.996 1.00 0.00 C ATOM 555 OG SER A 40 3.374 -13.340 7.444 1.00 0.00 O ATOM 0 H SER A 40 4.370 -10.080 9.244 1.00 0.00 H new ATOM 0 HA SER A 40 5.586 -12.094 7.703 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.379 -12.085 9.081 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.640 -11.422 7.637 1.00 0.00 H new ATOM 0 HG SER A 40 2.517 -13.741 7.701 1.00 0.00 H new ATOM 561 N GLY A 41 4.058 -9.688 6.048 1.00 0.00 N ATOM 562 CA GLY A 41 3.923 -9.066 4.742 1.00 0.00 C ATOM 563 C GLY A 41 2.517 -8.493 4.550 1.00 0.00 C ATOM 564 O GLY A 41 2.277 -7.724 3.621 1.00 0.00 O ATOM 0 H GLY A 41 3.596 -9.189 6.808 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.661 -8.271 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.130 -9.799 3.963 1.00 0.00 H new ATOM 568 N TRP A 42 1.624 -8.891 5.445 1.00 0.00 N ATOM 569 CA TRP A 42 0.248 -8.427 5.386 1.00 0.00 C ATOM 570 C TRP A 42 0.223 -6.965 5.837 1.00 0.00 C ATOM 571 O TRP A 42 0.728 -6.633 6.908 1.00 0.00 O ATOM 572 CB TRP A 42 -0.669 -9.325 6.218 1.00 0.00 C ATOM 573 CG TRP A 42 -0.846 -10.734 5.647 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.193 -11.852 5.992 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.767 -11.131 4.610 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.624 -12.937 5.256 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.612 -12.484 4.389 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.701 -10.372 3.883 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.357 -13.197 3.441 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.437 -11.099 2.939 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.293 -12.461 2.704 1.00 0.00 C ATOM 0 H TRP A 42 1.827 -9.529 6.214 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.135 -8.484 4.367 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.267 -9.401 7.228 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.647 -8.852 6.300 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.574 -11.898 6.751 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.281 -13.894 5.334 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.840 -9.313 4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.217 -14.257 3.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.168 -10.563 2.352 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.900 -12.950 1.956 1.00 0.00 H new ATOM 592 N TRP A 43 -0.371 -6.131 4.996 1.00 0.00 N ATOM 593 CA TRP A 43 -0.470 -4.712 5.295 1.00 0.00 C ATOM 594 C TRP A 43 -1.951 -4.365 5.462 1.00 0.00 C ATOM 595 O TRP A 43 -2.801 -4.902 4.754 1.00 0.00 O ATOM 596 CB TRP A 43 0.222 -3.876 4.216 1.00 0.00 C ATOM 597 CG TRP A 43 1.750 -3.933 4.269 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.521 -4.627 5.117 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.667 -3.237 3.398 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.862 -4.430 4.859 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.953 -3.558 3.780 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.417 -2.365 2.324 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.092 -3.051 3.141 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.565 -1.868 1.696 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.867 -2.181 2.067 1.00 0.00 C ATOM 0 H TRP A 43 -0.788 -6.410 4.108 1.00 0.00 H new ATOM 0 HA TRP A 43 0.049 -4.476 6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.110 -4.219 3.236 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.096 -2.838 4.315 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.140 -5.261 5.904 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.642 -4.847 5.366 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.419 -2.100 2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.089 -3.317 3.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.429 -1.193 0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.701 -1.755 1.530 1.00 0.00 H new ATOM 616 N GLN A 44 -2.213 -3.470 6.403 1.00 0.00 N ATOM 617 CA GLN A 44 -3.577 -3.046 6.672 1.00 0.00 C ATOM 618 C GLN A 44 -3.769 -1.586 6.259 1.00 0.00 C ATOM 619 O GLN A 44 -3.423 -0.674 7.008 1.00 0.00 O ATOM 620 CB GLN A 44 -3.934 -3.251 8.146 1.00 0.00 C ATOM 621 CG GLN A 44 -5.448 -3.183 8.358 1.00 0.00 C ATOM 622 CD GLN A 44 -5.795 -3.215 9.847 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.992 -2.885 10.705 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.032 -3.629 10.106 1.00 0.00 N ATOM 0 H GLN A 44 -1.505 -3.027 6.988 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.253 -3.663 6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.559 -4.217 8.484 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.444 -2.489 8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.841 -2.271 7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.928 -4.020 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.653 -3.890 9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.360 -3.685 11.070 1.00 0.00 H new ATOM 633 N GLY A 45 -4.322 -1.409 5.068 1.00 0.00 N ATOM 634 CA GLY A 45 -4.565 -0.075 4.546 1.00 0.00 C ATOM 635 C GLY A 45 -5.993 0.054 4.013 1.00 0.00 C ATOM 636 O GLY A 45 -6.807 -0.852 4.185 1.00 0.00 O ATOM 0 H GLY A 45 -4.609 -2.168 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.398 0.662 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.854 0.142 3.748 1.00 0.00 H new ATOM 640 N GLU A 46 -6.253 1.187 3.377 1.00 0.00 N ATOM 641 CA GLU A 46 -7.569 1.445 2.817 1.00 0.00 C ATOM 642 C GLU A 46 -7.450 1.860 1.349 1.00 0.00 C ATOM 643 O GLU A 46 -6.608 2.686 1.000 1.00 0.00 O ATOM 644 CB GLU A 46 -8.310 2.510 3.629 1.00 0.00 C ATOM 645 CG GLU A 46 -9.744 2.685 3.124 1.00 0.00 C ATOM 646 CD GLU A 46 -10.082 4.166 2.939 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.353 4.820 3.969 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.062 4.611 1.771 1.00 0.00 O ATOM 0 H GLU A 46 -5.575 1.936 3.237 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.151 0.525 2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.323 2.226 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.778 3.459 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.867 2.159 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.440 2.235 3.832 1.00 0.00 H new ATOM 655 N LEU A 47 -8.305 1.267 0.529 1.00 0.00 N ATOM 656 CA LEU A 47 -8.306 1.564 -0.893 1.00 0.00 C ATOM 657 C LEU A 47 -8.827 2.986 -1.112 1.00 0.00 C ATOM 658 O LEU A 47 -9.765 3.417 -0.444 1.00 0.00 O ATOM 659 CB LEU A 47 -9.088 0.498 -1.663 1.00 0.00 C ATOM 660 CG LEU A 47 -9.174 0.692 -3.178 1.00 0.00 C ATOM 661 CD1 LEU A 47 -7.967 0.067 -3.880 1.00 0.00 C ATOM 662 CD2 LEU A 47 -10.498 0.154 -3.725 1.00 0.00 C ATOM 0 H LEU A 47 -9.002 0.582 0.822 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.291 1.530 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.631 -0.472 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.101 0.460 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.150 1.761 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.053 0.219 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.052 0.537 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.935 -1.001 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.534 0.304 -4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.577 -0.910 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.327 0.684 -3.257 1.00 0.00 H new ATOM 674 N GLN A 48 -8.195 3.675 -2.051 1.00 0.00 N ATOM 675 CA GLN A 48 -8.583 5.040 -2.367 1.00 0.00 C ATOM 676 C GLN A 48 -9.220 5.102 -3.756 1.00 0.00 C ATOM 677 O GLN A 48 -8.664 5.709 -4.671 1.00 0.00 O ATOM 678 CB GLN A 48 -7.385 5.986 -2.269 1.00 0.00 C ATOM 679 CG GLN A 48 -6.785 5.969 -0.862 1.00 0.00 C ATOM 680 CD GLN A 48 -7.468 7.000 0.038 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.578 8.171 -0.288 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.918 6.502 1.186 1.00 0.00 N ATOM 0 H GLN A 48 -7.417 3.314 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.322 5.367 -1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.626 5.694 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.696 6.999 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.893 4.975 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.717 6.179 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.793 5.512 1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.388 7.110 1.856 1.00 0.00 H new ATOM 800 N GLN A 55 -12.898 0.189 0.777 1.00 0.00 N ATOM 801 CA GLN A 55 -12.203 -1.070 0.984 1.00 0.00 C ATOM 802 C GLN A 55 -11.106 -0.903 2.037 1.00 0.00 C ATOM 803 O GLN A 55 -10.293 0.016 1.951 1.00 0.00 O ATOM 804 CB GLN A 55 -11.626 -1.600 -0.330 1.00 0.00 C ATOM 805 CG GLN A 55 -12.457 -2.770 -0.862 1.00 0.00 C ATOM 806 CD GLN A 55 -13.571 -2.276 -1.787 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.332 -1.696 -2.834 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.797 -2.537 -1.345 1.00 0.00 N ATOM 0 HA GLN A 55 -12.921 -1.804 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.603 -0.800 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.596 -1.922 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.812 -3.463 -1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.890 -3.322 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.926 -3.026 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.608 -2.248 -1.891 1.00 0.00 H new ATOM 817 N LYS A 56 -11.118 -1.806 3.006 1.00 0.00 N ATOM 818 CA LYS A 56 -10.133 -1.771 4.074 1.00 0.00 C ATOM 819 C LYS A 56 -9.962 -3.178 4.651 1.00 0.00 C ATOM 820 O LYS A 56 -10.943 -3.830 5.007 1.00 0.00 O ATOM 821 CB LYS A 56 -10.514 -0.720 5.119 1.00 0.00 C ATOM 822 CG LYS A 56 -9.391 -0.530 6.140 1.00 0.00 C ATOM 823 CD LYS A 56 -9.522 -1.528 7.292 1.00 0.00 C ATOM 824 CE LYS A 56 -9.884 -0.815 8.596 1.00 0.00 C ATOM 825 NZ LYS A 56 -11.305 -1.047 8.936 1.00 0.00 N ATOM 0 H LYS A 56 -11.794 -2.567 3.074 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.161 -1.465 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.726 0.228 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.427 -1.025 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.425 -0.658 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.418 0.487 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.287 -2.267 7.053 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.584 -2.069 7.417 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.247 -1.176 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.698 0.254 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.534 -0.556 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.909 -0.681 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.472 -2.067 9.051 1.00 0.00 H new ATOM 839 N GLY A 57 -8.710 -3.604 4.725 1.00 0.00 N ATOM 840 CA GLY A 57 -8.398 -4.921 5.253 1.00 0.00 C ATOM 841 C GLY A 57 -6.898 -5.208 5.160 1.00 0.00 C ATOM 842 O GLY A 57 -6.111 -4.319 4.839 1.00 0.00 O ATOM 0 H GLY A 57 -7.900 -3.060 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.720 -4.986 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.952 -5.679 4.699 1.00 0.00 H new ATOM 846 N TRP A 58 -6.547 -6.453 5.447 1.00 0.00 N ATOM 847 CA TRP A 58 -5.156 -6.868 5.400 1.00 0.00 C ATOM 848 C TRP A 58 -4.889 -7.472 4.020 1.00 0.00 C ATOM 849 O TRP A 58 -5.714 -8.217 3.494 1.00 0.00 O ATOM 850 CB TRP A 58 -4.831 -7.829 6.545 1.00 0.00 C ATOM 851 CG TRP A 58 -4.797 -7.166 7.924 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.825 -6.927 8.750 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.630 -6.662 8.607 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.407 -6.309 9.911 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.030 -6.143 9.821 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.281 -6.646 8.212 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.142 -5.570 10.740 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.406 -6.070 9.141 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.793 -5.543 10.368 1.00 0.00 C ATOM 0 H TRP A 58 -7.202 -7.188 5.713 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.494 -6.013 5.540 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.572 -8.629 6.556 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.864 -8.293 6.353 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.851 -7.185 8.534 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.000 -6.026 10.692 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.946 -7.046 7.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.480 -5.171 11.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.357 -6.032 8.887 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.056 -5.115 11.031 1.00 0.00 H new ATOM 870 N PHE A 59 -3.732 -7.127 3.472 1.00 0.00 N ATOM 871 CA PHE A 59 -3.346 -7.626 2.163 1.00 0.00 C ATOM 872 C PHE A 59 -1.824 -7.723 2.040 1.00 0.00 C ATOM 873 O PHE A 59 -1.095 -7.060 2.776 1.00 0.00 O ATOM 874 CB PHE A 59 -3.866 -6.623 1.131 1.00 0.00 C ATOM 875 CG PHE A 59 -3.144 -5.275 1.155 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.855 -5.186 0.728 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.789 -4.165 1.602 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.184 -3.935 0.749 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.118 -2.913 1.624 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.830 -2.825 1.197 1.00 0.00 C ATOM 0 H PHE A 59 -3.050 -6.508 3.911 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.760 -8.622 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.769 -7.058 0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.929 -6.457 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.342 -6.068 0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.812 -4.235 1.941 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.161 -3.865 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.631 -2.031 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.320 -1.873 1.214 1.00 0.00 H new ATOM 890 N PRO A 60 -1.378 -8.576 1.080 1.00 0.00 N ATOM 891 CA PRO A 60 0.044 -8.768 0.851 1.00 0.00 C ATOM 892 C PRO A 60 0.648 -7.570 0.116 1.00 0.00 C ATOM 893 O PRO A 60 0.103 -7.115 -0.889 1.00 0.00 O ATOM 894 CB PRO A 60 0.144 -10.062 0.061 1.00 0.00 C ATOM 895 CG PRO A 60 -1.239 -10.302 -0.523 1.00 0.00 C ATOM 896 CD PRO A 60 -2.213 -9.378 0.190 1.00 0.00 C ATOM 0 HA PRO A 60 0.614 -8.838 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.892 -9.981 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.446 -10.889 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.240 -10.104 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.534 -11.343 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.754 -8.750 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.959 -9.943 0.749 1.00 0.00 H new ATOM 904 N ALA A 61 1.765 -7.093 0.645 1.00 0.00 N ATOM 905 CA ALA A 61 2.449 -5.957 0.051 1.00 0.00 C ATOM 906 C ALA A 61 3.135 -6.399 -1.243 1.00 0.00 C ATOM 907 O ALA A 61 3.586 -5.565 -2.027 1.00 0.00 O ATOM 908 CB ALA A 61 3.435 -5.369 1.063 1.00 0.00 C ATOM 0 H ALA A 61 2.214 -7.473 1.479 1.00 0.00 H new ATOM 0 HA ALA A 61 1.738 -5.172 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.948 -4.517 0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.894 -5.043 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.166 -6.128 1.342 1.00 0.00 H new ATOM 914 N SER A 62 3.192 -7.710 -1.426 1.00 0.00 N ATOM 915 CA SER A 62 3.816 -8.273 -2.612 1.00 0.00 C ATOM 916 C SER A 62 2.926 -8.036 -3.834 1.00 0.00 C ATOM 917 O SER A 62 3.366 -8.208 -4.969 1.00 0.00 O ATOM 918 CB SER A 62 4.087 -9.768 -2.434 1.00 0.00 C ATOM 919 OG SER A 62 5.475 -10.043 -2.265 1.00 0.00 O ATOM 0 H SER A 62 2.817 -8.398 -0.774 1.00 0.00 H new ATOM 0 HA SER A 62 4.773 -7.774 -2.765 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.537 -10.135 -1.568 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.713 -10.310 -3.303 1.00 0.00 H new ATOM 0 HG SER A 62 5.606 -11.008 -2.153 1.00 0.00 H new ATOM 925 N HIS A 63 1.690 -7.646 -3.559 1.00 0.00 N ATOM 926 CA HIS A 63 0.734 -7.384 -4.622 1.00 0.00 C ATOM 927 C HIS A 63 0.773 -5.900 -4.992 1.00 0.00 C ATOM 928 O HIS A 63 0.348 -5.517 -6.081 1.00 0.00 O ATOM 929 CB HIS A 63 -0.664 -7.860 -4.224 1.00 0.00 C ATOM 930 CG HIS A 63 -0.945 -9.302 -4.574 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.689 -9.673 -5.680 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.573 -10.458 -3.954 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.757 -10.996 -5.713 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.065 -11.481 -4.642 1.00 0.00 N ATOM 0 H HIS A 63 1.328 -7.505 -2.616 1.00 0.00 H new ATOM 0 HA HIS A 63 1.008 -7.952 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.790 -7.727 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.405 -7.227 -4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.113 -9.037 -6.355 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.021 -10.529 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.270 -11.587 -6.457 1.00 0.00 H new ATOM 942 N VAL A 64 1.286 -5.105 -4.065 1.00 0.00 N ATOM 943 CA VAL A 64 1.386 -3.671 -4.281 1.00 0.00 C ATOM 944 C VAL A 64 2.854 -3.249 -4.201 1.00 0.00 C ATOM 945 O VAL A 64 3.723 -4.065 -3.900 1.00 0.00 O ATOM 946 CB VAL A 64 0.495 -2.929 -3.282 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.854 -3.633 -3.122 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.197 -2.774 -1.931 1.00 0.00 C ATOM 0 H VAL A 64 1.637 -5.426 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 64 1.026 -3.408 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 64 0.307 -1.931 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.468 -3.085 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.363 -3.667 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.694 -4.648 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.542 -2.244 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.430 -3.759 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.120 -2.209 -2.063 1.00 0.00 H new ATOM 958 N LYS A 65 3.086 -1.974 -4.477 1.00 0.00 N ATOM 959 CA LYS A 65 4.434 -1.433 -4.441 1.00 0.00 C ATOM 960 C LYS A 65 4.413 -0.069 -3.749 1.00 0.00 C ATOM 961 O LYS A 65 3.574 0.776 -4.059 1.00 0.00 O ATOM 962 CB LYS A 65 5.036 -1.400 -5.847 1.00 0.00 C ATOM 963 CG LYS A 65 4.524 -0.192 -6.635 1.00 0.00 C ATOM 964 CD LYS A 65 5.028 -0.225 -8.079 1.00 0.00 C ATOM 965 CE LYS A 65 6.321 0.580 -8.227 1.00 0.00 C ATOM 966 NZ LYS A 65 6.024 1.962 -8.664 1.00 0.00 N ATOM 0 H LYS A 65 2.363 -1.300 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 65 5.088 -2.078 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.123 -1.361 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.782 -2.318 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.434 -0.183 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.854 0.728 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.201 -1.257 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.265 0.180 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.855 0.600 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.977 0.096 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.893 2.532 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.658 1.947 -9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.311 2.380 -8.033 1.00 0.00 H new ATOM 980 N LEU A 66 5.346 0.105 -2.825 1.00 0.00 N ATOM 981 CA LEU A 66 5.446 1.352 -2.086 1.00 0.00 C ATOM 982 C LEU A 66 5.869 2.472 -3.039 1.00 0.00 C ATOM 983 O LEU A 66 6.791 2.299 -3.836 1.00 0.00 O ATOM 984 CB LEU A 66 6.372 1.188 -0.880 1.00 0.00 C ATOM 985 CG LEU A 66 5.690 0.858 0.449 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.697 0.873 1.601 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.510 1.797 0.708 1.00 0.00 C ATOM 0 H LEU A 66 6.040 -0.598 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 66 4.475 1.631 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.090 0.399 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.940 2.110 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 66 5.289 -0.153 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.186 0.635 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.475 0.132 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.149 1.862 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.043 1.541 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.866 2.827 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.780 1.693 -0.094 1.00 0.00 H new ATOM 999 N LEU A 67 5.176 3.596 -2.926 1.00 0.00 N ATOM 1000 CA LEU A 67 5.469 4.743 -3.768 1.00 0.00 C ATOM 1001 C LEU A 67 6.447 5.668 -3.040 1.00 0.00 C ATOM 1002 O LEU A 67 6.643 6.812 -3.445 1.00 0.00 O ATOM 1003 CB LEU A 67 4.175 5.435 -4.201 1.00 0.00 C ATOM 1004 CG LEU A 67 3.248 4.619 -5.103 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.251 5.525 -5.828 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.051 3.755 -6.078 1.00 0.00 C ATOM 0 H LEU A 67 4.413 3.736 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 67 5.956 4.424 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.621 5.719 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.436 6.357 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 67 2.670 3.942 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.604 4.919 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.645 6.058 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.793 6.244 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.367 3.185 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.673 4.395 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.686 3.068 -5.518 1.00 0.00 H new