USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=7 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= -0.141 K(o=-0.14,f=-3.4!) USER MOD Set 1.2: A 40 SER OG : rot 180:sc= 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=-0.75) USER MOD Single : A 16 TYR OH : rot -85:sc= 0.693 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 : amide:sc= -7.68! C(o=-7.7!,f=-4.3!) 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 39 THR OG1 : rot -46:sc= 0.869 USER MOD Single : A 44 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.5!) USER MOD Single : A 48 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.22) USER MOD Single : A 55 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.6!) 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 HD1:sc= -5.36! C(o=-5.4!,f=-9.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.406 6.524 3.655 1.00 0.00 N ATOM 67 CA GLU A 8 2.170 5.835 2.629 1.00 0.00 C ATOM 68 C GLU A 8 1.229 5.162 1.628 1.00 0.00 C ATOM 69 O GLU A 8 0.482 4.253 1.987 1.00 0.00 O ATOM 70 CB GLU A 8 3.128 4.816 3.250 1.00 0.00 C ATOM 71 CG GLU A 8 4.568 5.334 3.229 1.00 0.00 C ATOM 72 CD GLU A 8 5.566 4.177 3.144 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.515 3.317 4.050 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.356 4.178 2.176 1.00 0.00 O ATOM 0 HA GLU A 8 2.771 6.572 2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.828 4.608 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.068 3.875 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.706 6.001 2.378 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.761 5.920 4.128 1.00 0.00 H new ATOM 81 N ILE A 9 1.295 5.635 0.392 1.00 0.00 N ATOM 82 CA ILE A 9 0.457 5.090 -0.663 1.00 0.00 C ATOM 83 C ILE A 9 1.219 3.981 -1.391 1.00 0.00 C ATOM 84 O ILE A 9 2.430 4.075 -1.579 1.00 0.00 O ATOM 85 CB ILE A 9 -0.034 6.207 -1.587 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.163 7.005 -0.931 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.445 5.649 -2.951 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.467 6.206 -0.925 1.00 0.00 C ATOM 0 H ILE A 9 1.915 6.389 0.098 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.441 4.638 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 9 0.792 6.898 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.885 7.262 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.309 7.943 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.790 6.463 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.411 5.161 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.249 4.925 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.253 6.796 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.755 5.972 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.324 5.280 -0.368 1.00 0.00 H new ATOM 100 N ALA A 10 0.476 2.955 -1.780 1.00 0.00 N ATOM 101 CA ALA A 10 1.066 1.828 -2.483 1.00 0.00 C ATOM 102 C ALA A 10 0.330 1.617 -3.808 1.00 0.00 C ATOM 103 O ALA A 10 -0.898 1.670 -3.856 1.00 0.00 O ATOM 104 CB ALA A 10 1.021 0.588 -1.588 1.00 0.00 C ATOM 0 H ALA A 10 -0.529 2.880 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 10 2.113 2.026 -2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.463 -0.257 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.582 0.779 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.014 0.358 -1.337 1.00 0.00 H new ATOM 110 N GLN A 11 1.113 1.383 -4.851 1.00 0.00 N ATOM 111 CA GLN A 11 0.551 1.164 -6.174 1.00 0.00 C ATOM 112 C GLN A 11 0.425 -0.334 -6.456 1.00 0.00 C ATOM 113 O GLN A 11 1.430 -1.025 -6.617 1.00 0.00 O ATOM 114 CB GLN A 11 1.392 1.856 -7.248 1.00 0.00 C ATOM 115 CG GLN A 11 0.936 1.446 -8.650 1.00 0.00 C ATOM 116 CD GLN A 11 1.243 2.545 -9.669 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.235 3.250 -9.581 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.340 2.651 -10.639 1.00 0.00 N ATOM 0 H GLN A 11 2.131 1.340 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.446 1.603 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.312 2.937 -7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.443 1.599 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.436 0.523 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.134 1.240 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.468 2.029 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.455 3.355 -11.368 1.00 0.00 H new ATOM 127 N VAL A 12 -0.817 -0.792 -6.506 1.00 0.00 N ATOM 128 CA VAL A 12 -1.087 -2.196 -6.766 1.00 0.00 C ATOM 129 C VAL A 12 -0.435 -2.600 -8.090 1.00 0.00 C ATOM 130 O VAL A 12 -0.541 -1.881 -9.083 1.00 0.00 O ATOM 131 CB VAL A 12 -2.595 -2.453 -6.739 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.910 -3.905 -7.104 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.189 -2.087 -5.378 1.00 0.00 C ATOM 0 H VAL A 12 -1.648 -0.216 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.651 -2.819 -5.986 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.058 -1.812 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.988 -4.061 -7.077 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.537 -4.117 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.429 -4.572 -6.389 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.262 -2.279 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.718 -2.690 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.011 -1.031 -5.175 1.00 0.00 H new ATOM 143 N THR A 13 0.225 -3.749 -8.062 1.00 0.00 N ATOM 144 CA THR A 13 0.894 -4.256 -9.248 1.00 0.00 C ATOM 145 C THR A 13 0.243 -5.562 -9.709 1.00 0.00 C ATOM 146 O THR A 13 0.308 -5.910 -10.887 1.00 0.00 O ATOM 147 CB THR A 13 2.382 -4.400 -8.926 1.00 0.00 C ATOM 148 OG1 THR A 13 2.415 -5.321 -7.839 1.00 0.00 O ATOM 149 CG2 THR A 13 2.983 -3.117 -8.346 1.00 0.00 C ATOM 0 H THR A 13 0.311 -4.343 -7.237 1.00 0.00 H new ATOM 0 HA THR A 13 0.793 -3.565 -10.085 1.00 0.00 H new ATOM 0 HB THR A 13 2.923 -4.678 -9.830 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.344 -5.473 -7.567 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.041 -3.274 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.873 -2.306 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.464 -2.857 -7.424 1.00 0.00 H new ATOM 157 N SER A 14 -0.370 -6.249 -8.756 1.00 0.00 N ATOM 158 CA SER A 14 -1.032 -7.509 -9.050 1.00 0.00 C ATOM 159 C SER A 14 -2.416 -7.537 -8.398 1.00 0.00 C ATOM 160 O SER A 14 -2.587 -7.063 -7.276 1.00 0.00 O ATOM 161 CB SER A 14 -0.195 -8.696 -8.570 1.00 0.00 C ATOM 162 OG SER A 14 1.191 -8.522 -8.856 1.00 0.00 O ATOM 0 H SER A 14 -0.422 -5.957 -7.780 1.00 0.00 H new ATOM 0 HA SER A 14 -1.145 -7.592 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.330 -8.824 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.552 -9.608 -9.048 1.00 0.00 H new ATOM 0 HG SER A 14 1.692 -9.300 -8.533 1.00 0.00 H new ATOM 168 N ALA A 15 -3.368 -8.098 -9.129 1.00 0.00 N ATOM 169 CA ALA A 15 -4.731 -8.195 -8.636 1.00 0.00 C ATOM 170 C ALA A 15 -4.792 -9.237 -7.518 1.00 0.00 C ATOM 171 O ALA A 15 -4.135 -10.274 -7.595 1.00 0.00 O ATOM 172 CB ALA A 15 -5.671 -8.528 -9.796 1.00 0.00 C ATOM 0 H ALA A 15 -3.222 -8.490 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.056 -7.243 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.694 -8.601 -9.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.612 -7.742 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.377 -9.479 -10.241 1.00 0.00 H new ATOM 178 N TYR A 16 -5.586 -8.926 -6.505 1.00 0.00 N ATOM 179 CA TYR A 16 -5.741 -9.824 -5.372 1.00 0.00 C ATOM 180 C TYR A 16 -7.176 -9.793 -4.841 1.00 0.00 C ATOM 181 O TYR A 16 -7.735 -8.721 -4.613 1.00 0.00 O ATOM 182 CB TYR A 16 -4.797 -9.301 -4.288 1.00 0.00 C ATOM 183 CG TYR A 16 -4.785 -10.147 -3.013 1.00 0.00 C ATOM 184 CD1 TYR A 16 -5.671 -9.868 -1.992 1.00 0.00 C ATOM 185 CD2 TYR A 16 -3.888 -11.188 -2.884 1.00 0.00 C ATOM 186 CE1 TYR A 16 -5.659 -10.665 -0.792 1.00 0.00 C ATOM 187 CE2 TYR A 16 -3.877 -11.984 -1.684 1.00 0.00 C ATOM 188 CZ TYR A 16 -4.763 -11.683 -0.697 1.00 0.00 C ATOM 189 OH TYR A 16 -4.752 -12.435 0.436 1.00 0.00 O ATOM 0 H TYR A 16 -6.129 -8.065 -6.444 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.517 -10.851 -5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.786 -9.256 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.083 -8.281 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.373 -9.053 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.195 -11.406 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.347 -10.458 0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -3.181 -12.802 -1.570 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.190 -12.001 1.111 1.00 0.00 H new ATOM 269 N GLN A 23 -9.315 -9.583 5.319 1.00 0.00 N ATOM 270 CA GLN A 23 -8.482 -9.403 4.142 1.00 0.00 C ATOM 271 C GLN A 23 -9.097 -8.356 3.211 1.00 0.00 C ATOM 272 O GLN A 23 -10.308 -8.143 3.226 1.00 0.00 O ATOM 273 CB GLN A 23 -8.270 -10.730 3.411 1.00 0.00 C ATOM 274 CG GLN A 23 -7.074 -11.489 3.988 1.00 0.00 C ATOM 275 CD GLN A 23 -7.445 -12.940 4.304 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.819 -13.285 5.413 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.322 -13.767 3.270 1.00 0.00 N ATOM 0 HA GLN A 23 -7.505 -9.044 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.168 -11.342 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.109 -10.543 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.248 -11.468 3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.727 -10.993 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.003 -13.412 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.546 -14.756 3.379 1.00 0.00 H new ATOM 286 N LEU A 24 -8.234 -7.730 2.424 1.00 0.00 N ATOM 287 CA LEU A 24 -8.678 -6.711 1.489 1.00 0.00 C ATOM 288 C LEU A 24 -8.192 -7.069 0.083 1.00 0.00 C ATOM 289 O LEU A 24 -7.023 -7.401 -0.108 1.00 0.00 O ATOM 290 CB LEU A 24 -8.234 -5.324 1.958 1.00 0.00 C ATOM 291 CG LEU A 24 -8.396 -4.190 0.944 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.860 -4.025 0.534 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.801 -2.886 1.480 1.00 0.00 C ATOM 0 H LEU A 24 -7.230 -7.909 2.415 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.767 -6.676 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.799 -5.067 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.185 -5.379 2.248 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.838 -4.454 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.946 -3.212 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.218 -4.950 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.461 -3.795 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.929 -2.096 0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.310 -2.606 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.739 -3.026 1.681 1.00 0.00 H new ATOM 305 N SER A 25 -9.114 -6.990 -0.865 1.00 0.00 N ATOM 306 CA SER A 25 -8.794 -7.302 -2.248 1.00 0.00 C ATOM 307 C SER A 25 -8.017 -6.144 -2.879 1.00 0.00 C ATOM 308 O SER A 25 -8.279 -4.980 -2.581 1.00 0.00 O ATOM 309 CB SER A 25 -10.061 -7.592 -3.055 1.00 0.00 C ATOM 310 OG SER A 25 -10.745 -6.398 -3.424 1.00 0.00 O ATOM 0 H SER A 25 -10.083 -6.715 -0.703 1.00 0.00 H new ATOM 0 HA SER A 25 -8.174 -8.198 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.799 -8.151 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.727 -8.225 -2.469 1.00 0.00 H new ATOM 0 HG SER A 25 -11.547 -6.626 -3.939 1.00 0.00 H new ATOM 316 N LEU A 26 -7.077 -6.505 -3.740 1.00 0.00 N ATOM 317 CA LEU A 26 -6.260 -5.511 -4.416 1.00 0.00 C ATOM 318 C LEU A 26 -6.476 -5.622 -5.927 1.00 0.00 C ATOM 319 O LEU A 26 -6.726 -6.709 -6.443 1.00 0.00 O ATOM 320 CB LEU A 26 -4.796 -5.643 -3.992 1.00 0.00 C ATOM 321 CG LEU A 26 -4.546 -5.839 -2.496 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.104 -6.280 -2.234 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.912 -4.579 -1.708 1.00 0.00 C ATOM 0 H LEU A 26 -6.863 -7.472 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.563 -4.506 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.358 -6.486 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.263 -4.749 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.197 -6.639 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.953 -6.412 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.913 -7.223 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.418 -5.519 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.725 -4.746 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.306 -3.743 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.967 -4.349 -1.858 1.00 0.00 H new ATOM 335 N ALA A 27 -6.370 -4.481 -6.592 1.00 0.00 N ATOM 336 CA ALA A 27 -6.551 -4.436 -8.033 1.00 0.00 C ATOM 337 C ALA A 27 -5.410 -3.633 -8.661 1.00 0.00 C ATOM 338 O ALA A 27 -4.955 -2.643 -8.089 1.00 0.00 O ATOM 339 CB ALA A 27 -7.925 -3.848 -8.358 1.00 0.00 C ATOM 0 H ALA A 27 -6.161 -3.581 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.519 -5.441 -8.455 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.060 -3.815 -9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.702 -4.471 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.994 -2.839 -7.952 1.00 0.00 H new ATOM 345 N PRO A 28 -4.969 -4.100 -9.860 1.00 0.00 N ATOM 346 CA PRO A 28 -3.890 -3.436 -10.571 1.00 0.00 C ATOM 347 C PRO A 28 -4.377 -2.138 -11.218 1.00 0.00 C ATOM 348 O PRO A 28 -5.208 -2.165 -12.124 1.00 0.00 O ATOM 349 CB PRO A 28 -3.400 -4.457 -11.585 1.00 0.00 C ATOM 350 CG PRO A 28 -4.518 -5.478 -11.721 1.00 0.00 C ATOM 351 CD PRO A 28 -5.484 -5.269 -10.567 1.00 0.00 C ATOM 0 HA PRO A 28 -3.079 -3.128 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.184 -3.984 -12.543 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.478 -4.930 -11.248 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.031 -5.357 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.115 -6.490 -11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.499 -5.099 -10.926 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.518 -6.142 -9.916 1.00 0.00 H new ATOM 359 N GLY A 29 -3.839 -1.031 -10.727 1.00 0.00 N ATOM 360 CA GLY A 29 -4.208 0.275 -11.245 1.00 0.00 C ATOM 361 C GLY A 29 -5.021 1.063 -10.216 1.00 0.00 C ATOM 362 O GLY A 29 -5.705 2.025 -10.565 1.00 0.00 O ATOM 0 H GLY A 29 -3.150 -1.012 -9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.309 0.833 -11.508 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.789 0.157 -12.160 1.00 0.00 H new ATOM 366 N GLN A 30 -4.920 0.627 -8.969 1.00 0.00 N ATOM 367 CA GLN A 30 -5.637 1.280 -7.888 1.00 0.00 C ATOM 368 C GLN A 30 -4.651 1.903 -6.897 1.00 0.00 C ATOM 369 O GLN A 30 -3.438 1.811 -7.081 1.00 0.00 O ATOM 370 CB GLN A 30 -6.577 0.301 -7.183 1.00 0.00 C ATOM 371 CG GLN A 30 -7.798 -0.009 -8.051 1.00 0.00 C ATOM 372 CD GLN A 30 -8.975 -0.481 -7.195 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.019 0.147 -7.129 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.748 -1.619 -6.545 1.00 0.00 N ATOM 0 H GLN A 30 -4.352 -0.171 -8.683 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.248 2.077 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.043 -0.622 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.901 0.723 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.085 0.881 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.544 -0.777 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.851 -2.093 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.471 -2.017 -5.946 1.00 0.00 H new ATOM 383 N LEU A 31 -5.208 2.524 -5.867 1.00 0.00 N ATOM 384 CA LEU A 31 -4.393 3.161 -4.847 1.00 0.00 C ATOM 385 C LEU A 31 -4.951 2.815 -3.465 1.00 0.00 C ATOM 386 O LEU A 31 -6.160 2.875 -3.247 1.00 0.00 O ATOM 387 CB LEU A 31 -4.287 4.665 -5.109 1.00 0.00 C ATOM 388 CG LEU A 31 -3.542 5.074 -6.381 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.650 6.581 -6.620 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.086 4.603 -6.339 1.00 0.00 C ATOM 0 H LEU A 31 -6.214 2.599 -5.717 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.372 2.782 -4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.295 5.078 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.790 5.128 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.017 4.579 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.112 6.845 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.699 6.858 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.217 7.115 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.579 4.906 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.584 5.050 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.057 3.517 -6.251 1.00 0.00 H new ATOM 402 N ILE A 32 -4.042 2.461 -2.568 1.00 0.00 N ATOM 403 CA ILE A 32 -4.428 2.106 -1.213 1.00 0.00 C ATOM 404 C ILE A 32 -3.597 2.921 -0.220 1.00 0.00 C ATOM 405 O ILE A 32 -2.472 3.314 -0.523 1.00 0.00 O ATOM 406 CB ILE A 32 -4.325 0.593 -1.006 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.546 -0.124 -1.583 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.106 0.256 0.471 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.161 -1.491 -2.152 1.00 0.00 C ATOM 0 H ILE A 32 -3.040 2.412 -2.753 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.473 2.358 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.453 0.232 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.300 -0.249 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.994 0.487 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.036 -0.825 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.182 0.720 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.943 0.633 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.048 -1.980 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.425 -1.361 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.736 -2.108 -1.360 1.00 0.00 H new ATOM 421 N LEU A 33 -4.184 3.150 0.945 1.00 0.00 N ATOM 422 CA LEU A 33 -3.512 3.912 1.985 1.00 0.00 C ATOM 423 C LEU A 33 -3.048 2.960 3.089 1.00 0.00 C ATOM 424 O LEU A 33 -3.865 2.295 3.724 1.00 0.00 O ATOM 425 CB LEU A 33 -4.411 5.044 2.486 1.00 0.00 C ATOM 426 CG LEU A 33 -3.769 6.025 3.469 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.073 7.168 2.727 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.795 6.538 4.481 1.00 0.00 C ATOM 0 H LEU A 33 -5.117 2.822 1.192 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.621 4.397 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.768 5.606 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.286 4.602 2.963 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.002 5.493 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.625 7.851 3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.295 6.762 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.802 7.707 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.312 7.233 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.601 7.049 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.203 5.698 5.043 1.00 0.00 H new ATOM 440 N ILE A 34 -1.738 2.925 3.285 1.00 0.00 N ATOM 441 CA ILE A 34 -1.156 2.066 4.301 1.00 0.00 C ATOM 442 C ILE A 34 -1.479 2.630 5.686 1.00 0.00 C ATOM 443 O ILE A 34 -1.057 3.735 6.024 1.00 0.00 O ATOM 444 CB ILE A 34 0.341 1.875 4.049 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.596 1.339 2.639 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.969 0.985 5.123 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.102 -0.007 2.429 1.00 0.00 C ATOM 0 H ILE A 34 -1.063 3.478 2.757 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.594 1.069 4.252 1.00 0.00 H new ATOM 0 HB ILE A 34 0.825 2.849 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.237 2.058 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.668 1.226 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.033 0.866 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.836 1.446 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.486 0.008 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.095 -0.366 1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.277 -0.730 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.176 0.115 2.567 1.00 0.00 H new ATOM 459 N LEU A 35 -2.225 1.846 6.450 1.00 0.00 N ATOM 460 CA LEU A 35 -2.610 2.253 7.791 1.00 0.00 C ATOM 461 C LEU A 35 -1.800 1.456 8.814 1.00 0.00 C ATOM 462 O LEU A 35 -1.164 2.033 9.694 1.00 0.00 O ATOM 463 CB LEU A 35 -4.124 2.130 7.974 1.00 0.00 C ATOM 464 CG LEU A 35 -4.984 2.642 6.817 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.330 1.915 6.771 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.155 4.160 6.890 1.00 0.00 C ATOM 0 H LEU A 35 -2.573 0.930 6.166 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.377 3.306 7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.365 1.081 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.406 2.671 8.877 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.466 2.421 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.922 2.298 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.162 0.847 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.866 2.082 7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.770 4.497 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.639 4.427 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.177 4.639 6.837 1.00 0.00 H new ATOM 478 N LYS A 36 -1.849 0.140 8.664 1.00 0.00 N ATOM 479 CA LYS A 36 -1.127 -0.743 9.565 1.00 0.00 C ATOM 480 C LYS A 36 -0.221 -1.668 8.748 1.00 0.00 C ATOM 481 O LYS A 36 -0.567 -2.054 7.633 1.00 0.00 O ATOM 482 CB LYS A 36 -2.101 -1.488 10.480 1.00 0.00 C ATOM 483 CG LYS A 36 -1.657 -1.399 11.941 1.00 0.00 C ATOM 484 CD LYS A 36 -2.862 -1.427 12.883 1.00 0.00 C ATOM 485 CE LYS A 36 -3.297 -2.864 13.174 1.00 0.00 C ATOM 486 NZ LYS A 36 -4.148 -2.913 14.385 1.00 0.00 N ATOM 0 H LYS A 36 -2.377 -0.336 7.933 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.481 -0.166 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.100 -1.066 10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.162 -2.533 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.990 -2.229 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.090 -0.481 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.610 -0.923 13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.690 -0.876 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.845 -3.264 12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.419 -3.495 13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.435 -3.896 14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.613 -2.550 15.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.995 -2.327 14.238 1.00 0.00 H new ATOM 500 N LYS A 37 0.920 -1.995 9.336 1.00 0.00 N ATOM 501 CA LYS A 37 1.877 -2.867 8.677 1.00 0.00 C ATOM 502 C LYS A 37 2.157 -4.078 9.569 1.00 0.00 C ATOM 503 O LYS A 37 1.784 -4.089 10.741 1.00 0.00 O ATOM 504 CB LYS A 37 3.135 -2.086 8.289 1.00 0.00 C ATOM 505 CG LYS A 37 2.836 -1.088 7.168 1.00 0.00 C ATOM 506 CD LYS A 37 4.101 -0.767 6.369 1.00 0.00 C ATOM 507 CE LYS A 37 4.412 0.730 6.414 1.00 0.00 C ATOM 508 NZ LYS A 37 5.403 1.022 7.474 1.00 0.00 N ATOM 0 H LYS A 37 1.203 -1.672 10.261 1.00 0.00 H new ATOM 0 HA LYS A 37 1.464 -3.247 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.521 -1.556 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.913 -2.779 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.076 -1.499 6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.427 -0.171 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.943 -1.329 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.972 -1.085 5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.797 1.057 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.497 1.292 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.603 2.042 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.022 0.729 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.282 0.500 7.281 1.00 0.00 H new ATOM 522 N ASN A 38 2.810 -5.069 8.980 1.00 0.00 N ATOM 523 CA ASN A 38 3.143 -6.282 9.707 1.00 0.00 C ATOM 524 C ASN A 38 4.584 -6.685 9.385 1.00 0.00 C ATOM 525 O ASN A 38 5.169 -6.192 8.423 1.00 0.00 O ATOM 526 CB ASN A 38 2.227 -7.437 9.301 1.00 0.00 C ATOM 527 CG ASN A 38 2.169 -8.504 10.396 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.564 -8.287 11.530 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.658 -9.664 9.996 1.00 0.00 N ATOM 0 H ASN A 38 3.117 -5.057 8.007 1.00 0.00 H new ATOM 0 HA ASN A 38 3.020 -6.082 10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.224 -7.058 9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.587 -7.882 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.578 -10.440 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.346 -9.778 9.032 1.00 0.00 H new ATOM 536 N THR A 39 5.113 -7.577 10.209 1.00 0.00 N ATOM 537 CA THR A 39 6.474 -8.052 10.024 1.00 0.00 C ATOM 538 C THR A 39 6.481 -9.343 9.203 1.00 0.00 C ATOM 539 O THR A 39 7.455 -10.094 9.229 1.00 0.00 O ATOM 540 CB THR A 39 7.112 -8.207 11.406 1.00 0.00 C ATOM 541 OG1 THR A 39 8.485 -8.470 11.126 1.00 0.00 O ATOM 542 CG2 THR A 39 6.633 -9.464 12.135 1.00 0.00 C ATOM 0 H THR A 39 4.624 -7.984 11.007 1.00 0.00 H new ATOM 0 HA THR A 39 7.068 -7.338 9.454 1.00 0.00 H new ATOM 0 HB THR A 39 6.886 -7.329 12.011 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.551 -9.147 10.420 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.116 -9.526 13.110 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.552 -9.418 12.268 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.889 -10.345 11.547 1.00 0.00 H new ATOM 550 N SER A 40 5.383 -9.562 8.494 1.00 0.00 N ATOM 551 CA SER A 40 5.251 -10.749 7.667 1.00 0.00 C ATOM 552 C SER A 40 5.103 -10.350 6.198 1.00 0.00 C ATOM 553 O SER A 40 5.657 -11.002 5.314 1.00 0.00 O ATOM 554 CB SER A 40 4.057 -11.598 8.109 1.00 0.00 C ATOM 555 OG SER A 40 4.048 -11.814 9.518 1.00 0.00 O ATOM 0 H SER A 40 4.577 -8.937 8.475 1.00 0.00 H new ATOM 0 HA SER A 40 6.153 -11.349 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.132 -11.105 7.812 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.085 -12.559 7.595 1.00 0.00 H new ATOM 0 HG SER A 40 3.270 -12.358 9.761 1.00 0.00 H new ATOM 561 N GLY A 41 4.351 -9.280 5.981 1.00 0.00 N ATOM 562 CA GLY A 41 4.123 -8.786 4.634 1.00 0.00 C ATOM 563 C GLY A 41 2.685 -8.291 4.468 1.00 0.00 C ATOM 564 O GLY A 41 2.372 -7.593 3.505 1.00 0.00 O ATOM 0 H GLY A 41 3.892 -8.742 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.818 -7.975 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.324 -9.579 3.913 1.00 0.00 H new ATOM 568 N TRP A 42 1.848 -8.672 5.422 1.00 0.00 N ATOM 569 CA TRP A 42 0.450 -8.276 5.393 1.00 0.00 C ATOM 570 C TRP A 42 0.363 -6.817 5.846 1.00 0.00 C ATOM 571 O TRP A 42 0.856 -6.465 6.916 1.00 0.00 O ATOM 572 CB TRP A 42 -0.404 -9.217 6.244 1.00 0.00 C ATOM 573 CG TRP A 42 -0.571 -10.616 5.648 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.217 -11.686 5.821 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.628 -11.056 4.769 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.253 -12.779 5.122 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.411 -12.383 4.461 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.731 -10.355 4.251 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.255 -13.125 3.625 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.565 -11.110 3.417 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.360 -12.447 3.098 1.00 0.00 C ATOM 0 H TRP A 42 2.111 -9.251 6.220 1.00 0.00 H new ATOM 0 HA TRP A 42 0.048 -8.352 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.047 -9.306 7.232 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.389 -8.772 6.382 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.108 -11.692 6.431 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.171 -13.706 5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.920 -9.316 4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.063 -14.164 3.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.428 -10.619 2.992 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.051 -12.961 2.446 1.00 0.00 H new ATOM 592 N TRP A 43 -0.267 -6.007 5.008 1.00 0.00 N ATOM 593 CA TRP A 43 -0.425 -4.594 5.308 1.00 0.00 C ATOM 594 C TRP A 43 -1.922 -4.301 5.431 1.00 0.00 C ATOM 595 O TRP A 43 -2.731 -4.866 4.696 1.00 0.00 O ATOM 596 CB TRP A 43 0.269 -3.729 4.254 1.00 0.00 C ATOM 597 CG TRP A 43 1.795 -3.718 4.364 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.559 -4.307 5.294 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.717 -3.059 3.471 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.900 -4.077 5.067 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.999 -3.294 3.922 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.475 -2.291 2.319 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.140 -2.796 3.282 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.626 -1.799 1.691 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.924 -2.027 2.133 1.00 0.00 C ATOM 0 H TRP A 43 -0.674 -6.302 4.121 1.00 0.00 H new ATOM 0 HA TRP A 43 0.057 -4.344 6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.011 -4.087 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.098 -2.706 4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.173 -4.889 6.118 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.676 -4.418 5.634 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.480 -2.096 1.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.134 -2.995 3.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.496 -1.201 0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.762 -1.613 1.592 1.00 0.00 H new ATOM 616 N GLN A 44 -2.245 -3.420 6.366 1.00 0.00 N ATOM 617 CA GLN A 44 -3.630 -3.045 6.594 1.00 0.00 C ATOM 618 C GLN A 44 -3.870 -1.601 6.150 1.00 0.00 C ATOM 619 O GLN A 44 -3.597 -0.664 6.899 1.00 0.00 O ATOM 620 CB GLN A 44 -4.015 -3.238 8.062 1.00 0.00 C ATOM 621 CG GLN A 44 -5.534 -3.193 8.241 1.00 0.00 C ATOM 622 CD GLN A 44 -5.912 -3.201 9.724 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.136 -2.833 10.590 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.144 -3.640 9.966 1.00 0.00 N ATOM 0 H GLN A 44 -1.571 -2.955 6.975 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.266 -3.698 5.996 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.631 -4.193 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.551 -2.461 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.933 -2.297 7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.988 -4.049 7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.742 -3.933 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.491 -3.684 10.924 1.00 0.00 H new ATOM 633 N GLY A 45 -4.377 -1.466 4.933 1.00 0.00 N ATOM 634 CA GLY A 45 -4.656 -0.151 4.381 1.00 0.00 C ATOM 635 C GLY A 45 -6.111 -0.048 3.919 1.00 0.00 C ATOM 636 O GLY A 45 -6.887 -0.988 4.085 1.00 0.00 O ATOM 0 H GLY A 45 -4.602 -2.245 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.454 0.613 5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.989 0.044 3.541 1.00 0.00 H new ATOM 640 N GLU A 46 -6.437 1.102 3.348 1.00 0.00 N ATOM 641 CA GLU A 46 -7.786 1.340 2.861 1.00 0.00 C ATOM 642 C GLU A 46 -7.754 1.742 1.385 1.00 0.00 C ATOM 643 O GLU A 46 -7.028 2.659 1.004 1.00 0.00 O ATOM 644 CB GLU A 46 -8.493 2.402 3.704 1.00 0.00 C ATOM 645 CG GLU A 46 -9.885 2.708 3.145 1.00 0.00 C ATOM 646 CD GLU A 46 -10.182 4.208 3.205 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.948 4.790 4.286 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.635 4.738 2.168 1.00 0.00 O ATOM 0 H GLU A 46 -5.791 1.879 3.211 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.354 0.414 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.579 2.056 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.896 3.314 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.951 2.361 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.637 2.162 3.714 1.00 0.00 H new ATOM 655 N LEU A 47 -8.549 1.037 0.595 1.00 0.00 N ATOM 656 CA LEU A 47 -8.621 1.310 -0.830 1.00 0.00 C ATOM 657 C LEU A 47 -9.044 2.764 -1.046 1.00 0.00 C ATOM 658 O LEU A 47 -10.060 3.205 -0.511 1.00 0.00 O ATOM 659 CB LEU A 47 -9.532 0.295 -1.525 1.00 0.00 C ATOM 660 CG LEU A 47 -9.031 -0.250 -2.864 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.770 -1.534 -3.244 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.129 0.814 -3.959 1.00 0.00 C ATOM 0 H LEU A 47 -9.149 0.277 0.915 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.640 1.191 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.688 -0.546 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.505 0.760 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.977 -0.506 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.395 -1.900 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.605 -2.290 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.837 -1.328 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.767 0.401 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.168 1.123 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.522 1.677 -3.684 1.00 0.00 H new ATOM 674 N GLN A 48 -8.243 3.469 -1.832 1.00 0.00 N ATOM 675 CA GLN A 48 -8.522 4.865 -2.125 1.00 0.00 C ATOM 676 C GLN A 48 -9.374 4.982 -3.390 1.00 0.00 C ATOM 677 O GLN A 48 -9.291 5.976 -4.109 1.00 0.00 O ATOM 678 CB GLN A 48 -7.225 5.666 -2.262 1.00 0.00 C ATOM 679 CG GLN A 48 -6.525 5.811 -0.910 1.00 0.00 C ATOM 680 CD GLN A 48 -7.309 6.742 0.017 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.425 7.935 -0.213 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.839 6.133 1.074 1.00 0.00 N ATOM 0 H GLN A 48 -7.401 3.100 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.084 5.286 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.560 5.170 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.444 6.653 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.421 4.831 -0.444 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.519 6.202 -1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.703 5.131 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.381 6.668 1.752 1.00 0.00 H new ATOM 800 N GLN A 55 -13.076 0.479 1.443 1.00 0.00 N ATOM 801 CA GLN A 55 -12.383 -0.794 1.558 1.00 0.00 C ATOM 802 C GLN A 55 -11.239 -0.686 2.568 1.00 0.00 C ATOM 803 O GLN A 55 -10.449 0.255 2.518 1.00 0.00 O ATOM 804 CB GLN A 55 -11.870 -1.263 0.195 1.00 0.00 C ATOM 805 CG GLN A 55 -12.900 -2.153 -0.502 1.00 0.00 C ATOM 806 CD GLN A 55 -13.585 -1.405 -1.648 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.035 -0.496 -2.247 1.00 0.00 O ATOM 808 NE2 GLN A 55 -14.814 -1.837 -1.917 1.00 0.00 N ATOM 0 HA GLN A 55 -13.091 -1.540 1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.648 -0.399 -0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.937 -1.812 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.411 -3.048 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.647 -2.484 0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.215 -2.603 -1.376 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.355 -1.402 -2.664 1.00 0.00 H new ATOM 817 N LYS A 56 -11.186 -1.663 3.461 1.00 0.00 N ATOM 818 CA LYS A 56 -10.152 -1.690 4.481 1.00 0.00 C ATOM 819 C LYS A 56 -9.984 -3.122 4.994 1.00 0.00 C ATOM 820 O LYS A 56 -10.947 -3.739 5.447 1.00 0.00 O ATOM 821 CB LYS A 56 -10.459 -0.674 5.582 1.00 0.00 C ATOM 822 CG LYS A 56 -9.175 -0.205 6.269 1.00 0.00 C ATOM 823 CD LYS A 56 -8.907 -1.011 7.541 1.00 0.00 C ATOM 824 CE LYS A 56 -9.101 -0.147 8.789 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.438 -0.381 9.379 1.00 0.00 N ATOM 0 H LYS A 56 -11.843 -2.442 3.499 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.193 -1.388 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.981 0.183 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.127 -1.121 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.333 -0.309 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.256 0.854 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.578 -1.869 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.890 -1.403 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.328 -0.378 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.990 0.906 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.553 0.213 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.172 -0.138 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.530 -1.382 9.644 1.00 0.00 H new ATOM 839 N GLY A 57 -8.755 -3.609 4.904 1.00 0.00 N ATOM 840 CA GLY A 57 -8.450 -4.956 5.354 1.00 0.00 C ATOM 841 C GLY A 57 -6.947 -5.233 5.274 1.00 0.00 C ATOM 842 O GLY A 57 -6.150 -4.311 5.110 1.00 0.00 O ATOM 0 H GLY A 57 -7.959 -3.095 4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.794 -5.087 6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.990 -5.679 4.742 1.00 0.00 H new ATOM 846 N TRP A 58 -6.606 -6.508 5.393 1.00 0.00 N ATOM 847 CA TRP A 58 -5.213 -6.918 5.336 1.00 0.00 C ATOM 848 C TRP A 58 -4.957 -7.533 3.958 1.00 0.00 C ATOM 849 O TRP A 58 -5.813 -8.232 3.418 1.00 0.00 O ATOM 850 CB TRP A 58 -4.874 -7.868 6.487 1.00 0.00 C ATOM 851 CG TRP A 58 -4.836 -7.193 7.859 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.857 -6.976 8.700 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.672 -6.653 8.521 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.438 -6.338 9.850 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.067 -6.136 9.737 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.330 -6.604 8.104 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.181 -5.532 10.637 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.457 -5.997 9.015 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.839 -5.471 10.244 1.00 0.00 C ATOM 0 H TRP A 58 -7.270 -7.270 5.529 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.553 -6.060 5.462 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.609 -8.672 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.905 -8.327 6.292 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.879 -7.264 8.503 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.026 -6.065 10.638 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.999 -7.003 7.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.515 -5.134 11.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.414 -5.933 8.744 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.104 -5.018 10.892 1.00 0.00 H new ATOM 870 N PHE A 59 -3.775 -7.250 3.430 1.00 0.00 N ATOM 871 CA PHE A 59 -3.396 -7.766 2.126 1.00 0.00 C ATOM 872 C PHE A 59 -1.874 -7.854 1.992 1.00 0.00 C ATOM 873 O PHE A 59 -1.144 -7.193 2.729 1.00 0.00 O ATOM 874 CB PHE A 59 -3.932 -6.784 1.082 1.00 0.00 C ATOM 875 CG PHE A 59 -3.238 -5.421 1.097 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.956 -5.305 0.659 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.903 -4.324 1.549 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.312 -4.040 0.673 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.259 -3.058 1.562 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.977 -2.943 1.124 1.00 0.00 C ATOM 0 H PHE A 59 -3.068 -6.670 3.882 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.805 -8.767 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.821 -7.226 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.999 -6.639 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.427 -6.176 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.921 -4.416 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.294 -3.949 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.788 -2.187 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.487 -1.981 1.134 1.00 0.00 H new ATOM 890 N PRO A 60 -1.430 -8.697 1.022 1.00 0.00 N ATOM 891 CA PRO A 60 -0.009 -8.880 0.782 1.00 0.00 C ATOM 892 C PRO A 60 0.584 -7.672 0.053 1.00 0.00 C ATOM 893 O PRO A 60 0.038 -7.220 -0.952 1.00 0.00 O ATOM 894 CB PRO A 60 0.093 -10.167 -0.020 1.00 0.00 C ATOM 895 CG PRO A 60 -1.293 -10.409 -0.597 1.00 0.00 C ATOM 896 CD PRO A 60 -2.266 -9.496 0.130 1.00 0.00 C ATOM 0 HA PRO A 60 0.567 -8.955 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.836 -10.076 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.403 -10.998 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.302 -10.202 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.582 -11.452 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.815 -8.865 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.005 -10.070 0.689 1.00 0.00 H new ATOM 904 N ALA A 61 1.694 -7.185 0.587 1.00 0.00 N ATOM 905 CA ALA A 61 2.367 -6.039 0.000 1.00 0.00 C ATOM 906 C ALA A 61 3.024 -6.458 -1.317 1.00 0.00 C ATOM 907 O ALA A 61 3.371 -5.611 -2.138 1.00 0.00 O ATOM 908 CB ALA A 61 3.376 -5.471 1.000 1.00 0.00 C ATOM 0 H ALA A 61 2.144 -7.563 1.420 1.00 0.00 H new ATOM 0 HA ALA A 61 1.651 -5.248 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.881 -4.611 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.855 -5.161 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.112 -6.236 1.248 1.00 0.00 H new ATOM 914 N SER A 62 3.175 -7.765 -1.476 1.00 0.00 N ATOM 915 CA SER A 62 3.784 -8.306 -2.679 1.00 0.00 C ATOM 916 C SER A 62 2.877 -8.052 -3.885 1.00 0.00 C ATOM 917 O SER A 62 3.300 -8.214 -5.028 1.00 0.00 O ATOM 918 CB SER A 62 4.060 -9.804 -2.530 1.00 0.00 C ATOM 919 OG SER A 62 5.129 -10.061 -1.623 1.00 0.00 O ATOM 0 H SER A 62 2.886 -8.464 -0.792 1.00 0.00 H new ATOM 0 HA SER A 62 4.737 -7.801 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.158 -10.306 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.302 -10.227 -3.505 1.00 0.00 H new ATOM 0 HG SER A 62 5.274 -11.028 -1.553 1.00 0.00 H new ATOM 925 N HIS A 63 1.647 -7.658 -3.587 1.00 0.00 N ATOM 926 CA HIS A 63 0.678 -7.379 -4.633 1.00 0.00 C ATOM 927 C HIS A 63 0.712 -5.890 -4.981 1.00 0.00 C ATOM 928 O HIS A 63 0.139 -5.470 -5.986 1.00 0.00 O ATOM 929 CB HIS A 63 -0.716 -7.860 -4.224 1.00 0.00 C ATOM 930 CG HIS A 63 -1.044 -9.260 -4.688 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.767 -9.517 -5.840 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.739 -10.473 -4.145 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.887 -10.830 -5.973 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.249 -11.421 -4.922 1.00 0.00 N ATOM 0 H HIS A 63 1.300 -7.526 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 63 0.941 -7.933 -5.534 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.799 -7.820 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.459 -7.172 -4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.178 -10.635 -3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.400 -11.342 -6.773 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.176 -12.425 -4.760 1.00 0.00 H new ATOM 942 N VAL A 64 1.390 -5.132 -4.132 1.00 0.00 N ATOM 943 CA VAL A 64 1.506 -3.698 -4.338 1.00 0.00 C ATOM 944 C VAL A 64 2.983 -3.300 -4.297 1.00 0.00 C ATOM 945 O VAL A 64 3.847 -4.133 -4.026 1.00 0.00 O ATOM 946 CB VAL A 64 0.657 -2.951 -3.307 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.698 -3.634 -3.115 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.399 -2.821 -1.976 1.00 0.00 C ATOM 0 H VAL A 64 1.865 -5.483 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 64 1.121 -3.420 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 64 0.475 -1.946 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.282 -3.083 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.235 -3.651 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.544 -4.656 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.773 -2.286 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.626 -3.814 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.327 -2.270 -2.129 1.00 0.00 H new ATOM 958 N LYS A 65 3.227 -2.027 -4.570 1.00 0.00 N ATOM 959 CA LYS A 65 4.585 -1.508 -4.568 1.00 0.00 C ATOM 960 C LYS A 65 4.593 -0.116 -3.933 1.00 0.00 C ATOM 961 O LYS A 65 3.859 0.771 -4.365 1.00 0.00 O ATOM 962 CB LYS A 65 5.174 -1.544 -5.980 1.00 0.00 C ATOM 963 CG LYS A 65 4.775 -0.298 -6.773 1.00 0.00 C ATOM 964 CD LYS A 65 5.280 -0.380 -8.214 1.00 0.00 C ATOM 965 CE LYS A 65 6.285 0.735 -8.508 1.00 0.00 C ATOM 966 NZ LYS A 65 7.352 0.247 -9.410 1.00 0.00 N ATOM 0 H LYS A 65 2.508 -1.339 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 65 5.234 -2.139 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.260 -1.611 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.827 -2.437 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.690 -0.192 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.183 0.590 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.747 -1.350 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.438 -0.306 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.774 1.582 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.724 1.092 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.026 1.017 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.851 -0.547 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.930 -0.072 -10.306 1.00 0.00 H new ATOM 980 N LEU A 66 5.432 0.031 -2.918 1.00 0.00 N ATOM 981 CA LEU A 66 5.545 1.301 -2.220 1.00 0.00 C ATOM 982 C LEU A 66 5.984 2.384 -3.207 1.00 0.00 C ATOM 983 O LEU A 66 6.915 2.180 -3.985 1.00 0.00 O ATOM 984 CB LEU A 66 6.468 1.164 -1.007 1.00 0.00 C ATOM 985 CG LEU A 66 5.782 0.865 0.327 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.790 0.885 1.478 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.614 1.823 0.570 1.00 0.00 C ATOM 0 H LEU A 66 6.039 -0.707 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 66 4.576 1.605 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.186 0.369 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.036 2.088 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 66 5.367 -0.142 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.277 0.670 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.557 0.131 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.255 1.869 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.144 1.589 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.983 2.849 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.882 1.715 -0.231 1.00 0.00 H new ATOM 999 N LEU A 67 5.293 3.512 -3.144 1.00 0.00 N ATOM 1000 CA LEU A 67 5.599 4.628 -4.023 1.00 0.00 C ATOM 1001 C LEU A 67 6.604 5.554 -3.333 1.00 0.00 C ATOM 1002 O LEU A 67 6.812 6.685 -3.770 1.00 0.00 O ATOM 1003 CB LEU A 67 4.314 5.333 -4.462 1.00 0.00 C ATOM 1004 CG LEU A 67 3.418 4.554 -5.427 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.488 5.496 -6.194 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.252 3.681 -6.367 1.00 0.00 C ATOM 0 H LEU A 67 4.522 3.678 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 67 6.069 4.273 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.733 5.574 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.584 6.279 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 67 2.787 3.885 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.862 4.916 -6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.856 6.036 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.083 6.207 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.590 3.138 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.925 4.312 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.835 2.970 -5.782 1.00 0.00 H new