USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=8 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 16 TYR OH : rot 95:sc= 0.944 USER MOD Set 1.2: A 23 GLN : amide:sc= 0.00216 X(o=0.95,f=0.92) 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= -0.309 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -7.27! C(o=-7.3!,f=-5.8!) 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= -0.891 K(o=-0.89,f=-2.7!) USER MOD Single : A 39 THR OG1 : rot -59:sc= 0.364 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.8) USER MOD Single : A 48 GLN : amide:sc= 0.04 X(o=0.04,f=-0.11) USER MOD Single : A 55 GLN : amide:sc= -0.0237 X(o=-0.024,f=0) 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= -2.89 K(o=-2.9,f=-7.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.410 6.431 3.783 1.00 0.00 N ATOM 67 CA GLU A 8 2.135 5.927 2.629 1.00 0.00 C ATOM 68 C GLU A 8 1.174 5.239 1.657 1.00 0.00 C ATOM 69 O GLU A 8 0.428 4.342 2.046 1.00 0.00 O ATOM 70 CB GLU A 8 3.255 4.976 3.057 1.00 0.00 C ATOM 71 CG GLU A 8 4.598 5.705 3.123 1.00 0.00 C ATOM 72 CD GLU A 8 5.737 4.802 2.647 1.00 0.00 C ATOM 73 OE1 GLU A 8 6.196 3.984 3.474 1.00 0.00 O ATOM 74 OE2 GLU A 8 6.123 4.949 1.468 1.00 0.00 O ATOM 0 HA GLU A 8 2.596 6.772 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.021 4.548 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.322 4.147 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.559 6.603 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.790 6.029 4.146 1.00 0.00 H new ATOM 81 N ILE A 9 1.223 5.686 0.411 1.00 0.00 N ATOM 82 CA ILE A 9 0.366 5.125 -0.620 1.00 0.00 C ATOM 83 C ILE A 9 1.092 3.967 -1.307 1.00 0.00 C ATOM 84 O ILE A 9 2.314 3.993 -1.450 1.00 0.00 O ATOM 85 CB ILE A 9 -0.099 6.218 -1.584 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.141 7.124 -0.926 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.610 5.613 -2.893 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.501 6.428 -0.848 1.00 0.00 C ATOM 0 H ILE A 9 1.843 6.430 0.092 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.542 4.715 -0.178 1.00 0.00 H new ATOM 0 HB ILE A 9 0.759 6.843 -1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.810 7.397 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.234 8.050 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.934 6.411 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.190 5.045 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.450 4.951 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.224 7.094 -0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.840 6.178 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.409 5.516 -0.259 1.00 0.00 H new ATOM 100 N ALA A 10 0.310 2.978 -1.714 1.00 0.00 N ATOM 101 CA ALA A 10 0.864 1.813 -2.382 1.00 0.00 C ATOM 102 C ALA A 10 0.083 1.551 -3.672 1.00 0.00 C ATOM 103 O ALA A 10 -1.147 1.542 -3.667 1.00 0.00 O ATOM 104 CB ALA A 10 0.834 0.615 -1.430 1.00 0.00 C ATOM 0 H ALA A 10 -0.703 2.960 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 10 1.905 1.987 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.250 -0.259 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.426 0.840 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.195 0.409 -1.136 1.00 0.00 H new ATOM 110 N GLN A 11 0.831 1.346 -4.747 1.00 0.00 N ATOM 111 CA GLN A 11 0.225 1.085 -6.041 1.00 0.00 C ATOM 112 C GLN A 11 0.179 -0.420 -6.312 1.00 0.00 C ATOM 113 O GLN A 11 1.217 -1.080 -6.349 1.00 0.00 O ATOM 114 CB GLN A 11 0.973 1.820 -7.155 1.00 0.00 C ATOM 115 CG GLN A 11 0.263 1.646 -8.499 1.00 0.00 C ATOM 116 CD GLN A 11 0.090 2.993 -9.206 1.00 0.00 C ATOM 117 OE1 GLN A 11 1.006 3.791 -9.309 1.00 0.00 O ATOM 118 NE2 GLN A 11 -1.134 3.198 -9.685 1.00 0.00 N ATOM 0 H GLN A 11 1.851 1.356 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.797 1.463 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.044 2.880 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.992 1.440 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.837 0.970 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.712 1.185 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.855 2.487 -9.564 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.352 4.066 -10.174 1.00 0.00 H new ATOM 127 N VAL A 12 -1.035 -0.919 -6.496 1.00 0.00 N ATOM 128 CA VAL A 12 -1.229 -2.334 -6.763 1.00 0.00 C ATOM 129 C VAL A 12 -0.422 -2.731 -8.001 1.00 0.00 C ATOM 130 O VAL A 12 -0.456 -2.038 -9.017 1.00 0.00 O ATOM 131 CB VAL A 12 -2.722 -2.641 -6.899 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.950 -4.114 -7.244 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.479 -2.252 -5.628 1.00 0.00 C ATOM 0 H VAL A 12 -1.893 -0.369 -6.465 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.862 -2.933 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.114 -2.041 -7.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.019 -4.305 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.458 -4.347 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.535 -4.741 -6.455 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.538 -2.480 -5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.082 -2.813 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.357 -1.185 -5.444 1.00 0.00 H new ATOM 143 N THR A 13 0.285 -3.845 -7.875 1.00 0.00 N ATOM 144 CA THR A 13 1.099 -4.342 -8.971 1.00 0.00 C ATOM 145 C THR A 13 0.592 -5.709 -9.435 1.00 0.00 C ATOM 146 O THR A 13 1.016 -6.213 -10.474 1.00 0.00 O ATOM 147 CB THR A 13 2.557 -4.359 -8.507 1.00 0.00 C ATOM 148 OG1 THR A 13 2.543 -5.193 -7.352 1.00 0.00 O ATOM 149 CG2 THR A 13 3.020 -3.000 -7.981 1.00 0.00 C ATOM 0 H THR A 13 0.311 -4.417 -7.031 1.00 0.00 H new ATOM 0 HA THR A 13 1.028 -3.692 -9.843 1.00 0.00 H new ATOM 0 HB THR A 13 3.198 -4.664 -9.334 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.450 -5.261 -6.987 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.061 -3.068 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.928 -2.254 -8.770 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.401 -2.708 -7.132 1.00 0.00 H new ATOM 157 N SER A 14 -0.308 -6.271 -8.641 1.00 0.00 N ATOM 158 CA SER A 14 -0.877 -7.570 -8.957 1.00 0.00 C ATOM 159 C SER A 14 -2.244 -7.719 -8.286 1.00 0.00 C ATOM 160 O SER A 14 -2.390 -7.441 -7.097 1.00 0.00 O ATOM 161 CB SER A 14 0.055 -8.701 -8.518 1.00 0.00 C ATOM 162 OG SER A 14 1.421 -8.295 -8.514 1.00 0.00 O ATOM 0 H SER A 14 -0.657 -5.850 -7.780 1.00 0.00 H new ATOM 0 HA SER A 14 -1.000 -7.636 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.227 -9.036 -7.520 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.068 -9.553 -9.187 1.00 0.00 H new ATOM 0 HG SER A 14 1.984 -9.044 -8.227 1.00 0.00 H new ATOM 168 N ALA A 15 -3.211 -8.159 -9.078 1.00 0.00 N ATOM 169 CA ALA A 15 -4.561 -8.348 -8.576 1.00 0.00 C ATOM 170 C ALA A 15 -4.555 -9.446 -7.510 1.00 0.00 C ATOM 171 O ALA A 15 -3.819 -10.424 -7.626 1.00 0.00 O ATOM 172 CB ALA A 15 -5.499 -8.673 -9.741 1.00 0.00 C ATOM 0 H ALA A 15 -3.086 -8.390 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.927 -7.434 -8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.512 -8.815 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.490 -7.850 -10.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.164 -9.586 -10.234 1.00 0.00 H new ATOM 178 N TYR A 16 -5.384 -9.246 -6.496 1.00 0.00 N ATOM 179 CA TYR A 16 -5.483 -10.206 -5.410 1.00 0.00 C ATOM 180 C TYR A 16 -6.945 -10.518 -5.086 1.00 0.00 C ATOM 181 O TYR A 16 -7.828 -9.698 -5.333 1.00 0.00 O ATOM 182 CB TYR A 16 -4.835 -9.539 -4.196 1.00 0.00 C ATOM 183 CG TYR A 16 -5.106 -10.256 -2.872 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.585 -11.515 -2.650 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.871 -9.645 -1.900 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.840 -12.190 -1.405 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.127 -10.321 -0.654 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.599 -11.560 -0.468 1.00 0.00 C ATOM 189 OH TYR A 16 -5.840 -12.198 0.709 1.00 0.00 O ATOM 0 H TYR A 16 -5.993 -8.433 -6.404 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.996 -11.143 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.758 -9.487 -4.355 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.196 -8.513 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.986 -11.993 -3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.278 -8.660 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.438 -13.175 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.725 -9.854 0.115 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.182 -11.912 1.377 1.00 0.00 H new ATOM 269 N GLN A 23 -9.149 -9.601 5.434 1.00 0.00 N ATOM 270 CA GLN A 23 -8.311 -9.372 4.270 1.00 0.00 C ATOM 271 C GLN A 23 -8.936 -8.306 3.367 1.00 0.00 C ATOM 272 O GLN A 23 -10.122 -8.002 3.488 1.00 0.00 O ATOM 273 CB GLN A 23 -8.075 -10.673 3.500 1.00 0.00 C ATOM 274 CG GLN A 23 -7.361 -11.706 4.375 1.00 0.00 C ATOM 275 CD GLN A 23 -8.012 -13.084 4.237 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.734 -13.547 5.104 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.716 -13.711 3.102 1.00 0.00 N ATOM 0 HA GLN A 23 -7.341 -9.009 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.029 -11.076 3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.479 -10.470 2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.311 -11.766 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.391 -11.388 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.104 -13.266 2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.101 -14.637 2.916 1.00 0.00 H new ATOM 286 N LEU A 24 -8.110 -7.768 2.482 1.00 0.00 N ATOM 287 CA LEU A 24 -8.566 -6.742 1.559 1.00 0.00 C ATOM 288 C LEU A 24 -8.158 -7.126 0.135 1.00 0.00 C ATOM 289 O LEU A 24 -7.010 -7.494 -0.107 1.00 0.00 O ATOM 290 CB LEU A 24 -8.060 -5.366 1.995 1.00 0.00 C ATOM 291 CG LEU A 24 -7.924 -4.320 0.886 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.287 -3.989 0.275 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.206 -3.069 1.398 1.00 0.00 C ATOM 0 H LEU A 24 -7.127 -8.023 2.384 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.654 -6.674 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.737 -4.976 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.087 -5.492 2.470 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.309 -4.742 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.162 -3.243 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.725 -4.893 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.946 -3.595 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.122 -2.341 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.774 -2.634 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.210 -3.339 1.748 1.00 0.00 H new ATOM 305 N SER A 25 -9.121 -7.025 -0.769 1.00 0.00 N ATOM 306 CA SER A 25 -8.877 -7.357 -2.163 1.00 0.00 C ATOM 307 C SER A 25 -8.100 -6.226 -2.841 1.00 0.00 C ATOM 308 O SER A 25 -8.403 -5.051 -2.637 1.00 0.00 O ATOM 309 CB SER A 25 -10.188 -7.620 -2.905 1.00 0.00 C ATOM 310 OG SER A 25 -10.776 -6.417 -3.392 1.00 0.00 O ATOM 0 H SER A 25 -10.072 -6.718 -0.564 1.00 0.00 H new ATOM 0 HA SER A 25 -8.283 -8.270 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.003 -8.297 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.888 -8.121 -2.237 1.00 0.00 H new ATOM 0 HG SER A 25 -11.610 -6.627 -3.861 1.00 0.00 H new ATOM 316 N LEU A 26 -7.115 -6.621 -3.634 1.00 0.00 N ATOM 317 CA LEU A 26 -6.293 -5.655 -4.343 1.00 0.00 C ATOM 318 C LEU A 26 -6.575 -5.757 -5.843 1.00 0.00 C ATOM 319 O LEU A 26 -6.856 -6.840 -6.354 1.00 0.00 O ATOM 320 CB LEU A 26 -4.818 -5.838 -3.981 1.00 0.00 C ATOM 321 CG LEU A 26 -4.510 -6.013 -2.492 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.049 -6.414 -2.278 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.880 -4.755 -1.704 1.00 0.00 C ATOM 0 H LEU A 26 -6.868 -7.596 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.548 -4.640 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.439 -6.709 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.264 -4.973 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.127 -6.826 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.856 -6.532 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.852 -7.357 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.396 -5.640 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.651 -4.906 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.308 -3.908 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.945 -4.554 -1.819 1.00 0.00 H new ATOM 335 N ALA A 27 -6.490 -4.613 -6.508 1.00 0.00 N ATOM 336 CA ALA A 27 -6.732 -4.560 -7.940 1.00 0.00 C ATOM 337 C ALA A 27 -5.612 -3.766 -8.613 1.00 0.00 C ATOM 338 O ALA A 27 -5.138 -2.770 -8.068 1.00 0.00 O ATOM 339 CB ALA A 27 -8.114 -3.957 -8.201 1.00 0.00 C ATOM 0 H ALA A 27 -6.257 -3.716 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.727 -5.562 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.297 -3.917 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.876 -4.575 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.155 -2.949 -7.788 1.00 0.00 H new ATOM 345 N PRO A 28 -5.209 -4.248 -9.819 1.00 0.00 N ATOM 346 CA PRO A 28 -4.153 -3.594 -10.573 1.00 0.00 C ATOM 347 C PRO A 28 -4.660 -2.304 -11.219 1.00 0.00 C ATOM 348 O PRO A 28 -5.523 -2.341 -12.095 1.00 0.00 O ATOM 349 CB PRO A 28 -3.696 -4.628 -11.589 1.00 0.00 C ATOM 350 CG PRO A 28 -4.819 -5.650 -11.677 1.00 0.00 C ATOM 351 CD PRO A 28 -5.747 -5.426 -10.495 1.00 0.00 C ATOM 0 HA PRO A 28 -3.320 -3.279 -9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.510 -4.167 -12.559 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.764 -5.098 -11.276 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.363 -5.540 -12.615 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.416 -6.663 -11.659 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.773 -5.260 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.760 -6.291 -9.832 1.00 0.00 H new ATOM 359 N GLY A 29 -4.101 -1.192 -10.763 1.00 0.00 N ATOM 360 CA GLY A 29 -4.485 0.108 -11.287 1.00 0.00 C ATOM 361 C GLY A 29 -5.260 0.912 -10.241 1.00 0.00 C ATOM 362 O GLY A 29 -5.963 1.863 -10.580 1.00 0.00 O ATOM 0 H GLY A 29 -3.385 -1.165 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.595 0.660 -11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.098 -0.022 -12.179 1.00 0.00 H new ATOM 366 N GLN A 30 -5.105 0.502 -8.991 1.00 0.00 N ATOM 367 CA GLN A 30 -5.782 1.173 -7.894 1.00 0.00 C ATOM 368 C GLN A 30 -4.759 1.754 -6.916 1.00 0.00 C ATOM 369 O GLN A 30 -3.553 1.601 -7.108 1.00 0.00 O ATOM 370 CB GLN A 30 -6.744 0.222 -7.180 1.00 0.00 C ATOM 371 CG GLN A 30 -7.935 -0.127 -8.074 1.00 0.00 C ATOM 372 CD GLN A 30 -9.145 -0.548 -7.237 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.166 0.118 -7.195 1.00 0.00 O ATOM 374 NE2 GLN A 30 -8.974 -1.689 -6.575 1.00 0.00 N ATOM 0 H GLN A 30 -4.521 -0.286 -8.713 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.371 1.993 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.217 -0.690 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.099 0.683 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.196 0.733 -8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.660 -0.934 -8.753 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.093 -2.197 -6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.724 -2.055 -5.988 1.00 0.00 H new ATOM 383 N LEU A 31 -5.277 2.409 -5.887 1.00 0.00 N ATOM 384 CA LEU A 31 -4.423 3.014 -4.879 1.00 0.00 C ATOM 385 C LEU A 31 -4.947 2.649 -3.488 1.00 0.00 C ATOM 386 O LEU A 31 -6.154 2.657 -3.254 1.00 0.00 O ATOM 387 CB LEU A 31 -4.301 4.521 -5.114 1.00 0.00 C ATOM 388 CG LEU A 31 -3.598 4.944 -6.406 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.642 6.463 -6.582 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.168 4.402 -6.454 1.00 0.00 C ATOM 0 H LEU A 31 -6.277 2.534 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.409 2.620 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.302 4.951 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.764 4.958 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.136 4.507 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.136 6.737 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.680 6.794 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.142 6.941 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.691 4.717 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.603 4.789 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.190 3.313 -6.408 1.00 0.00 H new ATOM 402 N ILE A 32 -4.013 2.338 -2.602 1.00 0.00 N ATOM 403 CA ILE A 32 -4.365 1.971 -1.241 1.00 0.00 C ATOM 404 C ILE A 32 -3.442 2.704 -0.265 1.00 0.00 C ATOM 405 O ILE A 32 -2.246 2.838 -0.518 1.00 0.00 O ATOM 406 CB ILE A 32 -4.351 0.450 -1.076 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.598 -0.180 -1.699 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.185 0.060 0.394 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.288 -1.567 -2.264 1.00 0.00 C ATOM 0 H ILE A 32 -3.012 2.333 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.384 2.284 -1.013 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.488 0.056 -1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.385 -0.257 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.977 0.464 -2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.178 -1.026 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.245 0.461 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.013 0.467 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.192 -1.992 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.519 -1.484 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.933 -2.215 -1.463 1.00 0.00 H new ATOM 421 N LEU A 33 -4.033 3.159 0.830 1.00 0.00 N ATOM 422 CA LEU A 33 -3.280 3.874 1.846 1.00 0.00 C ATOM 423 C LEU A 33 -2.844 2.894 2.937 1.00 0.00 C ATOM 424 O LEU A 33 -3.660 2.137 3.458 1.00 0.00 O ATOM 425 CB LEU A 33 -4.086 5.063 2.373 1.00 0.00 C ATOM 426 CG LEU A 33 -3.403 5.913 3.446 1.00 0.00 C ATOM 427 CD1 LEU A 33 -3.474 5.232 4.814 1.00 0.00 C ATOM 428 CD2 LEU A 33 -1.964 6.248 3.047 1.00 0.00 C ATOM 0 H LEU A 33 -5.026 3.046 1.036 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.372 4.299 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.336 5.709 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.026 4.688 2.778 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.943 6.856 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.981 5.858 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.517 5.088 5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.974 4.264 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.502 6.853 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.398 5.325 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.966 6.805 2.110 1.00 0.00 H new ATOM 440 N ILE A 34 -1.557 2.940 3.249 1.00 0.00 N ATOM 441 CA ILE A 34 -1.003 2.066 4.269 1.00 0.00 C ATOM 442 C ILE A 34 -1.326 2.634 5.652 1.00 0.00 C ATOM 443 O ILE A 34 -0.872 3.723 6.001 1.00 0.00 O ATOM 444 CB ILE A 34 0.492 1.843 4.029 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.738 1.203 2.662 1.00 0.00 C ATOM 446 CG2 ILE A 34 1.114 1.028 5.164 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.044 -0.105 2.520 1.00 0.00 C ATOM 0 H ILE A 34 -0.882 3.569 2.813 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.462 1.079 4.215 1.00 0.00 H new ATOM 0 HB ILE A 34 0.986 2.815 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.442 1.895 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.803 1.010 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.177 0.884 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.987 1.561 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.622 0.057 5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.149 -0.539 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.272 -0.804 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.110 0.095 2.625 1.00 0.00 H new ATOM 459 N LEU A 35 -2.106 1.871 6.403 1.00 0.00 N ATOM 460 CA LEU A 35 -2.495 2.284 7.740 1.00 0.00 C ATOM 461 C LEU A 35 -1.664 1.515 8.769 1.00 0.00 C ATOM 462 O LEU A 35 -1.015 2.117 9.623 1.00 0.00 O ATOM 463 CB LEU A 35 -4.005 2.130 7.931 1.00 0.00 C ATOM 464 CG LEU A 35 -4.877 2.547 6.745 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.058 1.591 6.570 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.332 4.002 6.884 1.00 0.00 C ATOM 0 H LEU A 35 -2.479 0.968 6.110 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.285 3.343 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.217 1.086 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.303 2.717 8.800 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.275 2.483 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.662 1.910 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.686 0.582 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.669 1.599 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.950 4.273 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.911 4.116 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.459 4.654 6.922 1.00 0.00 H new ATOM 478 N LYS A 36 -1.710 0.196 8.654 1.00 0.00 N ATOM 479 CA LYS A 36 -0.969 -0.662 9.563 1.00 0.00 C ATOM 480 C LYS A 36 -0.121 -1.644 8.753 1.00 0.00 C ATOM 481 O LYS A 36 -0.459 -1.972 7.617 1.00 0.00 O ATOM 482 CB LYS A 36 -1.919 -1.340 10.553 1.00 0.00 C ATOM 483 CG LYS A 36 -1.340 -1.320 11.969 1.00 0.00 C ATOM 484 CD LYS A 36 -1.670 -2.615 12.714 1.00 0.00 C ATOM 485 CE LYS A 36 -2.379 -2.321 14.037 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.645 -3.577 14.773 1.00 0.00 N ATOM 0 H LYS A 36 -2.249 -0.300 7.944 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.282 -0.072 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.883 -0.832 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.098 -2.370 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.259 -1.189 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.741 -0.468 12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.303 -3.246 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.753 -3.173 12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.764 -1.659 14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.317 -1.799 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.127 -3.359 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.250 -4.196 14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.746 -4.060 14.972 1.00 0.00 H new ATOM 500 N LYS A 37 0.966 -2.085 9.369 1.00 0.00 N ATOM 501 CA LYS A 37 1.866 -3.023 8.720 1.00 0.00 C ATOM 502 C LYS A 37 2.066 -4.241 9.624 1.00 0.00 C ATOM 503 O LYS A 37 1.669 -4.226 10.789 1.00 0.00 O ATOM 504 CB LYS A 37 3.171 -2.329 8.327 1.00 0.00 C ATOM 505 CG LYS A 37 2.942 -1.336 7.186 1.00 0.00 C ATOM 506 CD LYS A 37 4.248 -1.037 6.447 1.00 0.00 C ATOM 507 CE LYS A 37 4.530 0.466 6.417 1.00 0.00 C ATOM 508 NZ LYS A 37 5.588 0.815 7.392 1.00 0.00 N ATOM 0 H LYS A 37 1.244 -1.810 10.311 1.00 0.00 H new ATOM 0 HA LYS A 37 1.431 -3.385 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.584 -1.807 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.906 -3.074 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.210 -1.742 6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.525 -0.411 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.073 -1.556 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.189 -1.420 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.838 0.764 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.619 1.018 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.767 1.839 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.280 0.548 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.462 0.303 7.154 1.00 0.00 H new ATOM 522 N ASN A 38 2.680 -5.267 9.055 1.00 0.00 N ATOM 523 CA ASN A 38 2.937 -6.490 9.795 1.00 0.00 C ATOM 524 C ASN A 38 4.290 -7.064 9.369 1.00 0.00 C ATOM 525 O ASN A 38 4.719 -6.874 8.232 1.00 0.00 O ATOM 526 CB ASN A 38 1.865 -7.544 9.507 1.00 0.00 C ATOM 527 CG ASN A 38 2.117 -8.817 10.316 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.641 -8.791 11.418 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.717 -9.931 9.710 1.00 0.00 N ATOM 0 H ASN A 38 3.007 -5.277 8.089 1.00 0.00 H new ATOM 0 HA ASN A 38 2.929 -6.249 10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.881 -7.143 9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.859 -7.780 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.842 -10.834 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.285 -9.883 8.787 1.00 0.00 H new ATOM 536 N THR A 39 4.925 -7.756 10.304 1.00 0.00 N ATOM 537 CA THR A 39 6.220 -8.359 10.040 1.00 0.00 C ATOM 538 C THR A 39 6.047 -9.716 9.356 1.00 0.00 C ATOM 539 O THR A 39 6.596 -10.719 9.810 1.00 0.00 O ATOM 540 CB THR A 39 6.983 -8.438 11.363 1.00 0.00 C ATOM 541 OG1 THR A 39 8.278 -8.902 10.990 1.00 0.00 O ATOM 542 CG2 THR A 39 6.446 -9.535 12.285 1.00 0.00 C ATOM 0 H THR A 39 4.566 -7.912 11.246 1.00 0.00 H new ATOM 0 HA THR A 39 6.804 -7.754 9.347 1.00 0.00 H new ATOM 0 HB THR A 39 6.926 -7.476 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.199 -9.775 10.551 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.023 -9.548 13.210 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.399 -9.338 12.513 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.533 -10.502 11.789 1.00 0.00 H new ATOM 550 N SER A 40 5.281 -9.705 8.275 1.00 0.00 N ATOM 551 CA SER A 40 5.029 -10.923 7.524 1.00 0.00 C ATOM 552 C SER A 40 4.864 -10.597 6.038 1.00 0.00 C ATOM 553 O SER A 40 5.441 -11.268 5.184 1.00 0.00 O ATOM 554 CB SER A 40 3.787 -11.646 8.049 1.00 0.00 C ATOM 555 OG SER A 40 3.930 -13.063 7.989 1.00 0.00 O ATOM 0 H SER A 40 4.827 -8.872 7.901 1.00 0.00 H new ATOM 0 HA SER A 40 5.884 -11.587 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.600 -11.344 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.918 -11.344 7.465 1.00 0.00 H new ATOM 0 HG SER A 40 3.118 -13.489 8.334 1.00 0.00 H new ATOM 561 N GLY A 41 4.074 -9.566 5.775 1.00 0.00 N ATOM 562 CA GLY A 41 3.827 -9.143 4.407 1.00 0.00 C ATOM 563 C GLY A 41 2.418 -8.563 4.259 1.00 0.00 C ATOM 564 O GLY A 41 2.138 -7.840 3.304 1.00 0.00 O ATOM 0 H GLY A 41 3.597 -9.011 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.565 -8.396 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.948 -9.991 3.733 1.00 0.00 H new ATOM 568 N TRP A 42 1.570 -8.902 5.218 1.00 0.00 N ATOM 569 CA TRP A 42 0.198 -8.424 5.206 1.00 0.00 C ATOM 570 C TRP A 42 0.193 -6.987 5.733 1.00 0.00 C ATOM 571 O TRP A 42 0.710 -6.717 6.815 1.00 0.00 O ATOM 572 CB TRP A 42 -0.715 -9.356 6.006 1.00 0.00 C ATOM 573 CG TRP A 42 -0.858 -10.755 5.403 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.073 -11.823 5.601 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.884 -11.196 4.489 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.517 -12.916 4.885 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.653 -12.523 4.187 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.971 -10.498 3.936 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.466 -13.266 3.323 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.775 -11.254 3.074 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.556 -12.590 2.760 1.00 0.00 C ATOM 0 H TRP A 42 1.806 -9.502 6.008 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.201 -8.425 4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.326 -9.447 7.020 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.703 -8.902 6.083 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.797 -11.828 6.240 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.090 -13.842 4.871 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.171 -9.460 4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.264 -14.304 3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.625 -10.765 2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.223 -13.105 2.085 1.00 0.00 H new ATOM 592 N TRP A 43 -0.397 -6.103 4.941 1.00 0.00 N ATOM 593 CA TRP A 43 -0.476 -4.701 5.314 1.00 0.00 C ATOM 594 C TRP A 43 -1.954 -4.332 5.456 1.00 0.00 C ATOM 595 O TRP A 43 -2.788 -4.783 4.673 1.00 0.00 O ATOM 596 CB TRP A 43 0.265 -3.823 4.303 1.00 0.00 C ATOM 597 CG TRP A 43 1.789 -3.892 4.418 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.518 -4.545 5.333 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.746 -3.257 3.545 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.871 -4.377 5.115 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.014 -3.569 3.993 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.548 -2.445 2.414 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.181 -3.111 3.370 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.725 -1.996 1.803 1.00 0.00 C ATOM 605 CH2 TRP A 43 5.008 -2.301 2.242 1.00 0.00 C ATOM 0 H TRP A 43 -0.824 -6.331 4.043 1.00 0.00 H new ATOM 0 HA TRP A 43 0.019 -4.527 6.269 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.027 -4.121 3.296 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.053 -2.789 4.434 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.100 -5.129 6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.627 -4.773 5.674 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.566 -2.188 2.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.162 -3.369 3.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.629 -1.369 0.929 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.868 -1.915 1.715 1.00 0.00 H new ATOM 616 N GLN A 44 -2.233 -3.515 6.461 1.00 0.00 N ATOM 617 CA GLN A 44 -3.596 -3.080 6.716 1.00 0.00 C ATOM 618 C GLN A 44 -3.786 -1.633 6.258 1.00 0.00 C ATOM 619 O GLN A 44 -3.477 -0.699 6.996 1.00 0.00 O ATOM 620 CB GLN A 44 -3.954 -3.239 8.195 1.00 0.00 C ATOM 621 CG GLN A 44 -5.466 -3.137 8.407 1.00 0.00 C ATOM 622 CD GLN A 44 -5.811 -3.116 9.898 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.954 -2.996 10.758 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.110 -3.238 10.154 1.00 0.00 N ATOM 0 H GLN A 44 -1.538 -3.143 7.109 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.272 -3.713 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.596 -4.203 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.448 -2.471 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.843 -2.232 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.962 -3.981 7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.774 -3.335 9.386 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.442 -3.235 11.118 1.00 0.00 H new ATOM 633 N GLY A 45 -4.294 -1.493 5.042 1.00 0.00 N ATOM 634 CA GLY A 45 -4.529 -0.175 4.476 1.00 0.00 C ATOM 635 C GLY A 45 -5.962 -0.050 3.956 1.00 0.00 C ATOM 636 O GLY A 45 -6.780 -0.945 4.159 1.00 0.00 O ATOM 0 H GLY A 45 -4.549 -2.270 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.345 0.588 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.826 0.006 3.663 1.00 0.00 H new ATOM 640 N GLU A 46 -6.221 1.068 3.294 1.00 0.00 N ATOM 641 CA GLU A 46 -7.541 1.323 2.743 1.00 0.00 C ATOM 642 C GLU A 46 -7.428 1.804 1.295 1.00 0.00 C ATOM 643 O GLU A 46 -6.625 2.685 0.991 1.00 0.00 O ATOM 644 CB GLU A 46 -8.307 2.333 3.598 1.00 0.00 C ATOM 645 CG GLU A 46 -9.752 2.476 3.116 1.00 0.00 C ATOM 646 CD GLU A 46 -10.086 3.938 2.810 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.586 4.803 3.560 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.834 4.156 1.832 1.00 0.00 O ATOM 0 H GLU A 46 -5.539 1.808 3.127 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.103 0.389 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.298 2.014 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.809 3.302 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.903 1.870 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.433 2.095 3.878 1.00 0.00 H new ATOM 655 N LEU A 47 -8.244 1.205 0.440 1.00 0.00 N ATOM 656 CA LEU A 47 -8.245 1.562 -0.969 1.00 0.00 C ATOM 657 C LEU A 47 -8.729 3.005 -1.124 1.00 0.00 C ATOM 658 O LEU A 47 -9.684 3.417 -0.468 1.00 0.00 O ATOM 659 CB LEU A 47 -9.060 0.549 -1.777 1.00 0.00 C ATOM 660 CG LEU A 47 -9.074 0.757 -3.293 1.00 0.00 C ATOM 661 CD1 LEU A 47 -7.850 0.111 -3.946 1.00 0.00 C ATOM 662 CD2 LEU A 47 -10.383 0.253 -3.903 1.00 0.00 C ATOM 0 H LEU A 47 -8.909 0.475 0.696 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.234 1.519 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.671 -0.448 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.089 0.571 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.018 1.827 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.884 0.273 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.943 0.558 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.850 -0.959 -3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.367 0.413 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.495 -0.811 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.221 0.798 -3.468 1.00 0.00 H new ATOM 674 N GLN A 48 -8.048 3.732 -1.997 1.00 0.00 N ATOM 675 CA GLN A 48 -8.396 5.121 -2.248 1.00 0.00 C ATOM 676 C GLN A 48 -9.081 5.259 -3.609 1.00 0.00 C ATOM 677 O GLN A 48 -8.586 5.962 -4.488 1.00 0.00 O ATOM 678 CB GLN A 48 -7.162 6.020 -2.161 1.00 0.00 C ATOM 679 CG GLN A 48 -6.501 5.913 -0.786 1.00 0.00 C ATOM 680 CD GLN A 48 -7.386 6.534 0.297 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.769 7.691 0.235 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.688 5.703 1.291 1.00 0.00 N ATOM 0 H GLN A 48 -7.257 3.386 -2.540 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.095 5.445 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.448 5.739 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.447 7.055 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.312 4.866 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.534 6.416 -0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.334 4.746 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.273 6.022 2.063 1.00 0.00 H new ATOM 800 N GLN A 55 -12.866 -0.067 0.747 1.00 0.00 N ATOM 801 CA GLN A 55 -12.078 -1.283 0.846 1.00 0.00 C ATOM 802 C GLN A 55 -10.966 -1.112 1.883 1.00 0.00 C ATOM 803 O GLN A 55 -10.089 -0.264 1.724 1.00 0.00 O ATOM 804 CB GLN A 55 -11.502 -1.676 -0.515 1.00 0.00 C ATOM 805 CG GLN A 55 -12.335 -2.783 -1.164 1.00 0.00 C ATOM 806 CD GLN A 55 -13.118 -2.248 -2.366 1.00 0.00 C ATOM 807 OE1 GLN A 55 -13.977 -1.390 -2.247 1.00 0.00 O ATOM 808 NE2 GLN A 55 -12.773 -2.800 -3.525 1.00 0.00 N ATOM 0 HA GLN A 55 -12.733 -2.091 1.173 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.477 -0.804 -1.169 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.473 -2.014 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.682 -3.595 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.026 -3.200 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.045 -3.514 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.236 -2.510 -4.386 1.00 0.00 H new ATOM 817 N LYS A 56 -11.039 -1.930 2.923 1.00 0.00 N ATOM 818 CA LYS A 56 -10.050 -1.880 3.986 1.00 0.00 C ATOM 819 C LYS A 56 -9.898 -3.272 4.602 1.00 0.00 C ATOM 820 O LYS A 56 -10.885 -3.893 4.992 1.00 0.00 O ATOM 821 CB LYS A 56 -10.409 -0.793 5.002 1.00 0.00 C ATOM 822 CG LYS A 56 -9.341 -0.687 6.092 1.00 0.00 C ATOM 823 CD LYS A 56 -9.650 -1.630 7.256 1.00 0.00 C ATOM 824 CE LYS A 56 -10.350 -0.885 8.395 1.00 0.00 C ATOM 825 NZ LYS A 56 -11.608 -1.572 8.767 1.00 0.00 N ATOM 0 H LYS A 56 -11.768 -2.631 3.052 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.075 -1.600 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.511 0.166 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.375 -1.018 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.364 -0.928 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.288 0.339 6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.282 -2.447 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.725 -2.076 7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.690 -0.828 9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.564 0.139 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.071 -1.054 9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.243 -1.604 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.395 -2.541 9.078 1.00 0.00 H new ATOM 839 N GLY A 57 -8.653 -3.721 4.670 1.00 0.00 N ATOM 840 CA GLY A 57 -8.359 -5.028 5.232 1.00 0.00 C ATOM 841 C GLY A 57 -6.855 -5.308 5.213 1.00 0.00 C ATOM 842 O GLY A 57 -6.054 -4.398 5.007 1.00 0.00 O ATOM 0 H GLY A 57 -7.837 -3.203 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.729 -5.079 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.883 -5.798 4.665 1.00 0.00 H new ATOM 846 N TRP A 58 -6.517 -6.570 5.431 1.00 0.00 N ATOM 847 CA TRP A 58 -5.123 -6.981 5.442 1.00 0.00 C ATOM 848 C TRP A 58 -4.808 -7.620 4.088 1.00 0.00 C ATOM 849 O TRP A 58 -5.428 -8.612 3.707 1.00 0.00 O ATOM 850 CB TRP A 58 -4.834 -7.909 6.623 1.00 0.00 C ATOM 851 CG TRP A 58 -4.852 -7.209 7.984 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.903 -6.992 8.786 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.718 -6.641 8.673 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.531 -6.327 9.937 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.161 -6.107 9.866 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.364 -6.580 8.300 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.314 -5.475 10.784 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.530 -5.945 9.228 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.960 -5.402 10.434 1.00 0.00 C ATOM 0 H TRP A 58 -7.185 -7.322 5.602 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.468 -6.121 5.582 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.571 -8.712 6.629 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.858 -8.373 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.914 -7.299 8.560 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.148 -6.048 10.700 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.996 -6.990 7.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.685 -5.066 11.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.479 -5.872 8.991 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.253 -4.926 11.098 1.00 0.00 H new ATOM 870 N PHE A 59 -3.846 -7.026 3.399 1.00 0.00 N ATOM 871 CA PHE A 59 -3.441 -7.525 2.095 1.00 0.00 C ATOM 872 C PHE A 59 -1.918 -7.631 1.998 1.00 0.00 C ATOM 873 O PHE A 59 -1.197 -6.976 2.749 1.00 0.00 O ATOM 874 CB PHE A 59 -3.937 -6.517 1.057 1.00 0.00 C ATOM 875 CG PHE A 59 -3.212 -5.171 1.100 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.914 -5.085 0.702 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.864 -4.060 1.536 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.241 -3.835 0.742 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.191 -2.810 1.576 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.893 -2.724 1.178 1.00 0.00 C ATOM 0 H PHE A 59 -3.334 -6.203 3.719 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.859 -8.518 1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.822 -6.948 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.003 -6.349 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.396 -5.967 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.894 -4.128 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.211 -3.767 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.709 -1.928 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.380 -1.774 1.208 1.00 0.00 H new ATOM 890 N PRO A 60 -1.461 -8.483 1.041 1.00 0.00 N ATOM 891 CA PRO A 60 -0.037 -8.684 0.836 1.00 0.00 C ATOM 892 C PRO A 60 0.587 -7.487 0.116 1.00 0.00 C ATOM 893 O PRO A 60 0.058 -7.018 -0.890 1.00 0.00 O ATOM 894 CB PRO A 60 0.068 -9.976 0.041 1.00 0.00 C ATOM 895 CG PRO A 60 -1.307 -10.203 -0.567 1.00 0.00 C ATOM 896 CD PRO A 60 -2.286 -9.276 0.134 1.00 0.00 C ATOM 0 HA PRO A 60 0.516 -8.762 1.772 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.830 -9.897 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.353 -10.809 0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.289 -10.000 -1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.611 -11.242 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.811 -8.642 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.044 -9.839 0.678 1.00 0.00 H new ATOM 904 N ALA A 61 1.704 -7.027 0.660 1.00 0.00 N ATOM 905 CA ALA A 61 2.406 -5.894 0.082 1.00 0.00 C ATOM 906 C ALA A 61 3.061 -6.321 -1.232 1.00 0.00 C ATOM 907 O ALA A 61 3.459 -5.478 -2.035 1.00 0.00 O ATOM 908 CB ALA A 61 3.422 -5.354 1.091 1.00 0.00 C ATOM 0 H ALA A 61 2.140 -7.418 1.495 1.00 0.00 H new ATOM 0 HA ALA A 61 1.710 -5.087 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.949 -4.504 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.903 -5.036 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.139 -6.137 1.340 1.00 0.00 H new ATOM 914 N SER A 62 3.153 -7.630 -1.412 1.00 0.00 N ATOM 915 CA SER A 62 3.753 -8.180 -2.616 1.00 0.00 C ATOM 916 C SER A 62 2.864 -7.886 -3.826 1.00 0.00 C ATOM 917 O SER A 62 3.340 -7.862 -4.960 1.00 0.00 O ATOM 918 CB SER A 62 3.982 -9.687 -2.479 1.00 0.00 C ATOM 919 OG SER A 62 5.182 -10.106 -3.123 1.00 0.00 O ATOM 0 H SER A 62 2.822 -8.326 -0.744 1.00 0.00 H new ATOM 0 HA SER A 62 4.723 -7.704 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.026 -9.952 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.135 -10.223 -2.907 1.00 0.00 H new ATOM 0 HG SER A 62 5.293 -11.073 -3.011 1.00 0.00 H new ATOM 925 N HIS A 63 1.588 -7.668 -3.543 1.00 0.00 N ATOM 926 CA HIS A 63 0.628 -7.376 -4.593 1.00 0.00 C ATOM 927 C HIS A 63 0.632 -5.875 -4.889 1.00 0.00 C ATOM 928 O HIS A 63 0.078 -5.436 -5.896 1.00 0.00 O ATOM 929 CB HIS A 63 -0.760 -7.904 -4.223 1.00 0.00 C ATOM 930 CG HIS A 63 -0.985 -9.351 -4.590 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.682 -9.738 -5.720 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.596 -10.499 -3.965 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.707 -11.062 -5.764 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.034 -11.532 -4.674 1.00 0.00 N ATOM 0 H HIS A 63 1.197 -7.688 -2.601 1.00 0.00 H new ATOM 0 HA HIS A 63 0.917 -7.892 -5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.908 -7.785 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.514 -7.293 -4.719 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.105 -9.110 -6.404 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.028 -10.558 -3.048 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.177 -11.663 -6.528 1.00 0.00 H new ATOM 942 N VAL A 64 1.262 -5.129 -3.994 1.00 0.00 N ATOM 943 CA VAL A 64 1.345 -3.687 -4.146 1.00 0.00 C ATOM 944 C VAL A 64 2.815 -3.263 -4.156 1.00 0.00 C ATOM 945 O VAL A 64 3.705 -4.091 -3.966 1.00 0.00 O ATOM 946 CB VAL A 64 0.532 -2.996 -3.050 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.747 -3.778 -2.742 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.371 -2.799 -1.786 1.00 0.00 C ATOM 0 H VAL A 64 1.720 -5.497 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 64 0.911 -3.379 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 64 0.244 -2.011 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.307 -3.266 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.359 -3.844 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.488 -4.782 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.769 -2.306 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.704 -3.769 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.239 -2.182 -2.018 1.00 0.00 H new ATOM 958 N LYS A 65 3.025 -1.974 -4.380 1.00 0.00 N ATOM 959 CA LYS A 65 4.372 -1.431 -4.418 1.00 0.00 C ATOM 960 C LYS A 65 4.372 -0.034 -3.794 1.00 0.00 C ATOM 961 O LYS A 65 3.647 0.851 -4.245 1.00 0.00 O ATOM 962 CB LYS A 65 4.925 -1.467 -5.844 1.00 0.00 C ATOM 963 CG LYS A 65 5.914 -0.323 -6.078 1.00 0.00 C ATOM 964 CD LYS A 65 6.519 -0.399 -7.481 1.00 0.00 C ATOM 965 CE LYS A 65 5.982 0.723 -8.372 1.00 0.00 C ATOM 966 NZ LYS A 65 5.247 0.160 -9.527 1.00 0.00 N ATOM 0 H LYS A 65 2.285 -1.290 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 65 5.047 -2.047 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.419 -2.422 -6.022 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.105 -1.395 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.407 0.633 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.708 -0.366 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.605 -0.329 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.288 -1.366 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.322 1.370 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.807 1.342 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.889 0.934 -10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.887 -0.439 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.448 -0.411 -9.185 1.00 0.00 H new ATOM 980 N LEU A 66 5.193 0.120 -2.765 1.00 0.00 N ATOM 981 CA LEU A 66 5.296 1.394 -2.074 1.00 0.00 C ATOM 982 C LEU A 66 5.752 2.469 -3.063 1.00 0.00 C ATOM 983 O LEU A 66 6.698 2.260 -3.821 1.00 0.00 O ATOM 984 CB LEU A 66 6.199 1.266 -0.846 1.00 0.00 C ATOM 985 CG LEU A 66 5.493 0.951 0.475 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.472 1.019 1.649 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.284 1.866 0.682 1.00 0.00 C ATOM 0 H LEU A 66 5.793 -0.617 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 66 4.322 1.701 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.933 0.483 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.751 2.198 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 66 5.118 -0.071 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.945 0.791 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.272 0.294 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.898 2.021 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.800 1.621 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.613 2.905 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.576 1.724 -0.135 1.00 0.00 H new ATOM 999 N LEU A 67 5.058 3.597 -3.022 1.00 0.00 N ATOM 1000 CA LEU A 67 5.379 4.706 -3.905 1.00 0.00 C ATOM 1001 C LEU A 67 6.325 5.668 -3.184 1.00 0.00 C ATOM 1002 O LEU A 67 6.500 6.808 -3.610 1.00 0.00 O ATOM 1003 CB LEU A 67 4.100 5.370 -4.418 1.00 0.00 C ATOM 1004 CG LEU A 67 3.196 4.499 -5.292 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.107 5.339 -5.963 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.017 3.705 -6.310 1.00 0.00 C ATOM 0 H LEU A 67 4.275 3.767 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 67 5.902 4.348 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.522 5.711 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.378 6.257 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 67 2.694 3.776 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.478 4.695 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.496 5.820 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.570 6.101 -6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.350 3.094 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.565 4.394 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.722 3.060 -5.785 1.00 0.00 H new