USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 257 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 Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 12 SER OG : rot 137:sc= -0.124! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.1) USER MOD Single : A 18 ASN : amide:sc= 0.0151 X(o=0.015,f=0) USER MOD Single : A 19 TYR OH : rot 162:sc= 0.367 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : B 4 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.2!) USER MOD Single : B 5 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-5.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -7.118 2.979 2.969 1.00 0.00 N ATOM 11 CA ILE A 2 -5.635 3.039 2.849 1.00 0.00 C ATOM 12 C ILE A 2 -5.231 4.348 2.170 1.00 0.00 C ATOM 13 O ILE A 2 -4.619 5.208 2.771 1.00 0.00 O ATOM 14 CB ILE A 2 -5.145 1.865 2.004 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.588 0.549 2.645 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.620 1.905 1.922 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.534 -0.568 1.602 1.00 0.00 C ATOM 0 HA ILE A 2 -5.190 2.988 3.843 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.568 1.937 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.941 0.306 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.600 0.646 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.266 1.068 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.305 2.842 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.200 1.833 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.849 -1.507 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.200 -0.325 0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.514 -0.670 1.230 1.00 0.00 H new ATOM 29 N VAL A 3 -5.565 4.498 0.916 1.00 0.00 N ATOM 30 CA VAL A 3 -5.199 5.740 0.183 1.00 0.00 C ATOM 31 C VAL A 3 -5.415 6.958 1.086 1.00 0.00 C ATOM 32 O VAL A 3 -4.701 7.936 1.006 1.00 0.00 O ATOM 33 CB VAL A 3 -6.073 5.868 -1.064 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.541 4.938 -2.156 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.510 5.476 -0.719 1.00 0.00 C ATOM 0 H VAL A 3 -6.078 3.809 0.367 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.150 5.692 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.051 6.898 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.164 5.028 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.515 5.214 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.564 3.908 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.135 5.567 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.531 4.446 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.890 6.136 0.061 1.00 0.00 H new ATOM 45 N GLU A 4 -6.398 6.907 1.942 1.00 0.00 N ATOM 46 CA GLU A 4 -6.659 8.060 2.846 1.00 0.00 C ATOM 47 C GLU A 4 -5.341 8.564 3.431 1.00 0.00 C ATOM 48 O GLU A 4 -5.041 9.737 3.382 1.00 0.00 O ATOM 49 CB GLU A 4 -7.588 7.620 3.980 1.00 0.00 C ATOM 50 CG GLU A 4 -8.223 8.854 4.627 1.00 0.00 C ATOM 51 CD GLU A 4 -8.810 8.470 5.987 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.839 7.817 6.003 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.220 8.837 6.989 1.00 0.00 O ATOM 0 H GLU A 4 -7.032 6.116 2.054 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.132 8.863 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.364 6.959 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.028 7.053 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.476 9.639 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.004 9.255 3.982 1.00 0.00 H new ATOM 60 N GLN A 5 -4.548 7.693 3.988 1.00 0.00 N ATOM 61 CA GLN A 5 -3.256 8.146 4.571 1.00 0.00 C ATOM 62 C GLN A 5 -2.108 7.740 3.648 1.00 0.00 C ATOM 63 O GLN A 5 -1.073 8.373 3.614 1.00 0.00 O ATOM 64 CB GLN A 5 -3.058 7.505 5.947 1.00 0.00 C ATOM 65 CG GLN A 5 -4.072 8.089 6.933 1.00 0.00 C ATOM 66 CD GLN A 5 -4.346 7.074 8.044 1.00 0.00 C ATOM 67 OE1 GLN A 5 -5.477 6.692 8.269 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.350 6.618 8.753 1.00 0.00 N ATOM 0 H GLN A 5 -4.737 6.694 4.065 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.270 9.231 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.183 6.424 5.878 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.044 7.687 6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.688 9.016 7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.999 8.336 6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.400 6.939 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.521 5.941 9.496 1.00 0.00 H new ATOM 77 N CYS A 6 -2.279 6.694 2.895 1.00 0.00 N ATOM 78 CA CYS A 6 -1.188 6.269 1.980 1.00 0.00 C ATOM 79 C CYS A 6 -1.268 7.085 0.687 1.00 0.00 C ATOM 80 O CYS A 6 -0.375 7.054 -0.135 1.00 0.00 O ATOM 81 CB CYS A 6 -1.333 4.780 1.660 1.00 0.00 C ATOM 82 SG CYS A 6 -0.587 3.804 2.989 1.00 0.00 S ATOM 0 H CYS A 6 -3.120 6.118 2.873 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.224 6.438 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.386 4.521 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.849 4.552 0.711 1.00 0.00 H new ATOM 87 N CYS A 7 -2.330 7.821 0.504 1.00 0.00 N ATOM 88 CA CYS A 7 -2.464 8.639 -0.732 1.00 0.00 C ATOM 89 C CYS A 7 -2.668 10.107 -0.354 1.00 0.00 C ATOM 90 O CYS A 7 -2.199 11.001 -1.031 1.00 0.00 O ATOM 91 CB CYS A 7 -3.664 8.152 -1.543 1.00 0.00 C ATOM 92 SG CYS A 7 -3.613 8.891 -3.195 1.00 0.00 S ATOM 0 H CYS A 7 -3.110 7.890 1.158 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.558 8.539 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.649 7.065 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.592 8.424 -1.039 1.00 0.00 H new ATOM 97 N THR A 8 -3.356 10.367 0.725 1.00 0.00 N ATOM 98 CA THR A 8 -3.572 11.780 1.137 1.00 0.00 C ATOM 99 C THR A 8 -2.422 12.189 2.059 1.00 0.00 C ATOM 100 O THR A 8 -1.936 13.302 2.018 1.00 0.00 O ATOM 101 CB THR A 8 -4.947 11.910 1.830 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.699 12.924 1.179 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.801 12.271 3.314 1.00 0.00 C ATOM 0 H THR A 8 -3.775 9.665 1.335 1.00 0.00 H new ATOM 0 HA THR A 8 -3.580 12.446 0.275 1.00 0.00 H new ATOM 0 HB THR A 8 -5.454 10.947 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.574 13.011 1.612 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.789 12.354 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.232 11.493 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.278 13.223 3.407 1.00 0.00 H new ATOM 111 N SER A 9 -1.979 11.283 2.878 1.00 0.00 N ATOM 112 CA SER A 9 -0.854 11.582 3.799 1.00 0.00 C ATOM 113 C SER A 9 0.446 11.029 3.191 1.00 0.00 C ATOM 114 O SER A 9 0.942 11.548 2.211 1.00 0.00 O ATOM 115 CB SER A 9 -1.144 10.938 5.154 1.00 0.00 C ATOM 116 OG SER A 9 -0.117 11.284 6.073 1.00 0.00 O ATOM 0 H SER A 9 -2.353 10.337 2.950 1.00 0.00 H new ATOM 0 HA SER A 9 -0.742 12.657 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.111 11.274 5.529 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.202 9.855 5.049 1.00 0.00 H new ATOM 0 HG SER A 9 -0.304 10.872 6.943 1.00 0.00 H new ATOM 122 N ILE A 10 1.003 9.983 3.746 1.00 0.00 N ATOM 123 CA ILE A 10 2.258 9.424 3.169 1.00 0.00 C ATOM 124 C ILE A 10 2.318 7.918 3.440 1.00 0.00 C ATOM 125 O ILE A 10 2.031 7.461 4.528 1.00 0.00 O ATOM 126 CB ILE A 10 3.464 10.108 3.809 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.480 11.587 3.411 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.746 9.438 3.317 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.626 11.702 1.892 1.00 0.00 C ATOM 0 H ILE A 10 0.645 9.496 4.568 1.00 0.00 H new ATOM 0 HA ILE A 10 2.273 9.599 2.093 1.00 0.00 H new ATOM 0 HB ILE A 10 3.399 10.022 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.560 12.073 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.304 12.100 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.609 9.924 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.735 8.384 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.810 9.527 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.638 12.754 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.558 11.231 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.787 11.204 1.407 1.00 0.00 H new ATOM 141 N CYS A 11 2.687 7.141 2.457 1.00 0.00 N ATOM 142 CA CYS A 11 2.761 5.665 2.659 1.00 0.00 C ATOM 143 C CYS A 11 4.202 5.189 2.466 1.00 0.00 C ATOM 144 O CYS A 11 4.926 5.692 1.630 1.00 0.00 O ATOM 145 CB CYS A 11 1.857 4.968 1.640 1.00 0.00 C ATOM 146 SG CYS A 11 1.276 3.396 2.322 1.00 0.00 S ATOM 0 H CYS A 11 2.940 7.464 1.523 1.00 0.00 H new ATOM 0 HA CYS A 11 2.432 5.422 3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.008 5.606 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.403 4.794 0.713 1.00 0.00 H new ATOM 151 N SER A 12 4.627 4.224 3.236 1.00 0.00 N ATOM 152 CA SER A 12 6.017 3.717 3.102 1.00 0.00 C ATOM 153 C SER A 12 6.000 2.196 2.923 1.00 0.00 C ATOM 154 O SER A 12 4.958 1.568 2.932 1.00 0.00 O ATOM 155 CB SER A 12 6.795 4.073 4.363 1.00 0.00 C ATOM 156 OG SER A 12 5.880 4.359 5.411 1.00 0.00 O ATOM 0 H SER A 12 4.067 3.765 3.954 1.00 0.00 H new ATOM 0 HA SER A 12 6.491 4.171 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.446 3.247 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.436 4.935 4.178 1.00 0.00 H new ATOM 0 HG SER A 12 6.189 3.936 6.239 1.00 0.00 H new ATOM 162 N LEU A 13 7.151 1.599 2.757 1.00 0.00 N ATOM 163 CA LEU A 13 7.208 0.121 2.573 1.00 0.00 C ATOM 164 C LEU A 13 6.745 -0.580 3.852 1.00 0.00 C ATOM 165 O LEU A 13 6.269 -1.697 3.818 1.00 0.00 O ATOM 166 CB LEU A 13 8.641 -0.298 2.249 1.00 0.00 C ATOM 167 CG LEU A 13 8.623 -1.494 1.296 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.066 -2.721 2.021 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.748 -1.179 0.079 1.00 0.00 C ATOM 0 H LEU A 13 8.054 2.073 2.741 1.00 0.00 H new ATOM 0 HA LEU A 13 6.551 -0.164 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.180 0.534 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.170 -0.558 3.165 1.00 0.00 H new ATOM 0 HG LEU A 13 9.640 -1.699 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.054 -3.572 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.695 -2.953 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.051 -2.514 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.740 -2.036 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.731 -0.967 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.150 -0.310 -0.443 1.00 0.00 H new ATOM 181 N TYR A 14 6.872 0.059 4.981 1.00 0.00 N ATOM 182 CA TYR A 14 6.426 -0.591 6.243 1.00 0.00 C ATOM 183 C TYR A 14 4.907 -0.445 6.369 1.00 0.00 C ATOM 184 O TYR A 14 4.246 -1.242 7.005 1.00 0.00 O ATOM 185 CB TYR A 14 7.131 0.062 7.443 1.00 0.00 C ATOM 186 CG TYR A 14 6.444 1.354 7.825 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.226 1.322 8.519 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.028 2.583 7.494 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.593 2.519 8.880 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.395 3.780 7.854 1.00 0.00 C ATOM 191 CZ TYR A 14 5.177 3.747 8.547 1.00 0.00 C ATOM 192 OH TYR A 14 4.554 4.926 8.903 1.00 0.00 O ATOM 0 H TYR A 14 7.262 0.996 5.084 1.00 0.00 H new ATOM 0 HA TYR A 14 6.685 -1.650 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.127 -0.623 8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.175 0.258 7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.776 0.375 8.775 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.967 2.608 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.655 2.494 9.415 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.845 4.728 7.598 1.00 0.00 H new ATOM 0 HH TYR A 14 5.092 5.686 8.597 1.00 0.00 H new ATOM 202 N GLN A 15 4.352 0.568 5.761 1.00 0.00 N ATOM 203 CA GLN A 15 2.878 0.769 5.840 1.00 0.00 C ATOM 204 C GLN A 15 2.167 -0.330 5.054 1.00 0.00 C ATOM 205 O GLN A 15 1.235 -0.938 5.541 1.00 0.00 O ATOM 206 CB GLN A 15 2.515 2.136 5.255 1.00 0.00 C ATOM 207 CG GLN A 15 1.067 2.476 5.612 1.00 0.00 C ATOM 208 CD GLN A 15 0.953 2.705 7.120 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.713 1.781 7.872 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.116 3.908 7.599 1.00 0.00 N ATOM 0 H GLN A 15 4.856 1.265 5.213 1.00 0.00 H new ATOM 0 HA GLN A 15 2.563 0.727 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.186 2.901 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.641 2.125 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.748 3.368 5.073 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.406 1.665 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.318 4.685 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.042 4.072 8.603 1.00 0.00 H new ATOM 219 N LEU A 16 2.589 -0.602 3.850 1.00 0.00 N ATOM 220 CA LEU A 16 1.915 -1.668 3.081 1.00 0.00 C ATOM 221 C LEU A 16 2.366 -3.022 3.635 1.00 0.00 C ATOM 222 O LEU A 16 1.704 -4.026 3.461 1.00 0.00 O ATOM 223 CB LEU A 16 2.237 -1.489 1.586 1.00 0.00 C ATOM 224 CG LEU A 16 3.350 -2.430 1.108 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.546 -2.327 2.046 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.839 -3.875 1.076 1.00 0.00 C ATOM 0 H LEU A 16 3.362 -0.135 3.376 1.00 0.00 H new ATOM 0 HA LEU A 16 0.831 -1.615 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.336 -1.670 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.535 -0.457 1.403 1.00 0.00 H new ATOM 0 HG LEU A 16 3.654 -2.140 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.335 -2.997 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.917 -1.302 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.243 -2.609 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.636 -4.535 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.524 -4.172 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.992 -3.946 0.393 1.00 0.00 H new ATOM 238 N GLU A 17 3.468 -3.049 4.338 1.00 0.00 N ATOM 239 CA GLU A 17 3.927 -4.327 4.936 1.00 0.00 C ATOM 240 C GLU A 17 2.904 -4.703 5.995 1.00 0.00 C ATOM 241 O GLU A 17 2.596 -5.856 6.219 1.00 0.00 O ATOM 242 CB GLU A 17 5.303 -4.136 5.575 1.00 0.00 C ATOM 243 CG GLU A 17 6.385 -4.674 4.635 1.00 0.00 C ATOM 244 CD GLU A 17 7.764 -4.279 5.166 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.816 -3.533 6.130 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.746 -4.732 4.599 1.00 0.00 O ATOM 0 H GLU A 17 4.065 -2.242 4.521 1.00 0.00 H new ATOM 0 HA GLU A 17 4.015 -5.109 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.477 -3.079 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.346 -4.657 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.310 -5.759 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.242 -4.274 3.631 1.00 0.00 H new ATOM 253 N ASN A 18 2.350 -3.704 6.615 1.00 0.00 N ATOM 254 CA ASN A 18 1.300 -3.929 7.638 1.00 0.00 C ATOM 255 C ASN A 18 0.008 -4.278 6.907 1.00 0.00 C ATOM 256 O ASN A 18 -0.870 -4.935 7.432 1.00 0.00 O ATOM 257 CB ASN A 18 1.112 -2.640 8.440 1.00 0.00 C ATOM 258 CG ASN A 18 1.826 -2.766 9.786 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.285 -3.317 10.725 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.027 -2.274 9.923 1.00 0.00 N ATOM 0 H ASN A 18 2.585 -2.725 6.453 1.00 0.00 H new ATOM 0 HA ASN A 18 1.576 -4.735 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.510 -1.792 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.050 -2.448 8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.511 -2.352 10.817 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.482 -1.812 9.136 1.00 0.00 H new ATOM 267 N TYR A 19 -0.098 -3.842 5.682 1.00 0.00 N ATOM 268 CA TYR A 19 -1.307 -4.131 4.870 1.00 0.00 C ATOM 269 C TYR A 19 -1.241 -5.571 4.356 1.00 0.00 C ATOM 270 O TYR A 19 -2.246 -6.174 4.036 1.00 0.00 O ATOM 271 CB TYR A 19 -1.344 -3.163 3.683 1.00 0.00 C ATOM 272 CG TYR A 19 -1.600 -1.750 4.168 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.007 -1.511 5.492 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.426 -0.674 3.288 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.240 -0.199 5.928 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.659 0.637 3.726 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.066 0.873 5.045 1.00 0.00 C ATOM 278 OH TYR A 19 -2.297 2.163 5.476 1.00 0.00 O ATOM 0 H TYR A 19 0.614 -3.290 5.205 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.204 -4.008 5.477 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.399 -3.204 3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.125 -3.463 2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.140 -2.338 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.112 -0.855 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.554 -0.016 6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.525 1.465 3.046 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.868 2.795 4.862 1.00 0.00 H new ATOM 288 N CYS A 20 -0.063 -6.130 4.278 1.00 0.00 N ATOM 289 CA CYS A 20 0.065 -7.531 3.788 1.00 0.00 C ATOM 290 C CYS A 20 0.189 -8.481 4.982 1.00 0.00 C ATOM 291 O CYS A 20 1.268 -8.726 5.483 1.00 0.00 O ATOM 292 CB CYS A 20 1.311 -7.652 2.909 1.00 0.00 C ATOM 293 SG CYS A 20 1.144 -9.087 1.818 1.00 0.00 S ATOM 0 H CYS A 20 0.815 -5.677 4.532 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.818 -7.794 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.441 -6.746 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.199 -7.757 3.532 1.00 0.00 H new ATOM 0 HG CYS A 20 2.202 -9.189 1.070 1.00 0.00 H new ATOM 352 N ASN B 3 8.203 7.574 0.905 1.00 0.00 N ATOM 353 CA ASN B 3 7.111 8.215 1.690 1.00 0.00 C ATOM 354 C ASN B 3 6.331 9.175 0.785 1.00 0.00 C ATOM 355 O ASN B 3 6.230 10.355 1.058 1.00 0.00 O ATOM 356 CB ASN B 3 7.724 8.993 2.859 1.00 0.00 C ATOM 357 CG ASN B 3 8.968 8.261 3.365 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.985 7.048 3.435 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.018 8.949 3.722 1.00 0.00 N ATOM 0 HA ASN B 3 6.434 7.452 2.074 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.987 10.001 2.540 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.996 9.093 3.664 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.852 8.468 4.059 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.005 9.967 3.664 1.00 0.00 H new ATOM 366 N GLN B 4 5.786 8.681 -0.294 1.00 0.00 N ATOM 367 CA GLN B 4 5.023 9.561 -1.219 1.00 0.00 C ATOM 368 C GLN B 4 3.570 9.085 -1.312 1.00 0.00 C ATOM 369 O GLN B 4 3.173 8.138 -0.661 1.00 0.00 O ATOM 370 CB GLN B 4 5.665 9.496 -2.603 1.00 0.00 C ATOM 371 CG GLN B 4 6.548 10.727 -2.820 1.00 0.00 C ATOM 372 CD GLN B 4 7.870 10.300 -3.461 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.409 9.261 -3.134 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.419 11.063 -4.366 1.00 0.00 N ATOM 0 H GLN B 4 5.838 7.701 -0.574 1.00 0.00 H new ATOM 0 HA GLN B 4 5.039 10.585 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.261 8.588 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.893 9.450 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.037 11.446 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.737 11.225 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.967 11.935 -4.641 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.300 10.787 -4.799 1.00 0.00 H new ATOM 383 N HIS B 5 2.777 9.732 -2.126 1.00 0.00 N ATOM 384 CA HIS B 5 1.352 9.315 -2.275 1.00 0.00 C ATOM 385 C HIS B 5 1.262 8.235 -3.357 1.00 0.00 C ATOM 386 O HIS B 5 1.331 8.518 -4.537 1.00 0.00 O ATOM 387 CB HIS B 5 0.505 10.522 -2.682 1.00 0.00 C ATOM 388 CG HIS B 5 0.832 11.691 -1.793 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.074 11.980 -0.678 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.825 12.629 -1.867 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.619 13.068 -0.114 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.693 13.500 -0.806 1.00 0.00 N ATOM 0 H HIS B 5 3.055 10.532 -2.694 1.00 0.00 H new ATOM 0 HA HIS B 5 0.981 8.921 -1.329 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.697 10.779 -3.724 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.555 10.278 -2.604 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -0.742 11.466 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.587 12.679 -2.631 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.244 13.539 0.783 1.00 0.00 H new ATOM 400 N LEU B 6 1.128 6.999 -2.963 1.00 0.00 N ATOM 401 CA LEU B 6 1.059 5.899 -3.975 1.00 0.00 C ATOM 402 C LEU B 6 -0.398 5.518 -4.294 1.00 0.00 C ATOM 403 O LEU B 6 -0.656 4.823 -5.255 1.00 0.00 O ATOM 404 CB LEU B 6 1.814 4.658 -3.463 1.00 0.00 C ATOM 405 CG LEU B 6 2.004 4.721 -1.942 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.646 4.625 -1.245 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.886 3.555 -1.491 1.00 0.00 C ATOM 0 H LEU B 6 1.063 6.700 -1.990 1.00 0.00 H new ATOM 0 HA LEU B 6 1.527 6.262 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.261 3.757 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.786 4.591 -3.952 1.00 0.00 H new ATOM 0 HG LEU B 6 2.479 5.666 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.787 4.670 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.014 5.454 -1.563 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.167 3.682 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.022 3.598 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.408 2.613 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.857 3.622 -1.982 1.00 0.00 H new ATOM 419 N CYS B 7 -1.348 5.965 -3.518 1.00 0.00 N ATOM 420 CA CYS B 7 -2.775 5.620 -3.797 1.00 0.00 C ATOM 421 C CYS B 7 -2.916 4.132 -4.122 1.00 0.00 C ATOM 422 O CYS B 7 -1.969 3.382 -4.078 1.00 0.00 O ATOM 423 CB CYS B 7 -3.291 6.460 -4.967 1.00 0.00 C ATOM 424 SG CYS B 7 -4.590 7.572 -4.373 1.00 0.00 S ATOM 0 H CYS B 7 -1.199 6.556 -2.700 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.366 5.837 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.475 7.035 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.681 5.812 -5.752 1.00 0.00 H new ATOM 429 N GLY B 8 -4.111 3.697 -4.418 1.00 0.00 N ATOM 430 CA GLY B 8 -4.338 2.253 -4.714 1.00 0.00 C ATOM 431 C GLY B 8 -3.516 1.803 -5.925 1.00 0.00 C ATOM 432 O GLY B 8 -2.570 1.061 -5.794 1.00 0.00 O ATOM 0 H GLY B 8 -4.944 4.283 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.068 1.654 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.397 2.080 -4.905 1.00 0.00 H new ATOM 436 N SER B 9 -3.896 2.226 -7.101 1.00 0.00 N ATOM 437 CA SER B 9 -3.171 1.806 -8.342 1.00 0.00 C ATOM 438 C SER B 9 -1.668 1.608 -8.087 1.00 0.00 C ATOM 439 O SER B 9 -1.103 0.586 -8.433 1.00 0.00 O ATOM 440 CB SER B 9 -3.362 2.876 -9.418 1.00 0.00 C ATOM 441 OG SER B 9 -4.069 2.316 -10.517 1.00 0.00 O ATOM 0 H SER B 9 -4.686 2.851 -7.259 1.00 0.00 H new ATOM 0 HA SER B 9 -3.584 0.852 -8.668 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.913 3.724 -9.010 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.394 3.253 -9.748 1.00 0.00 H new ATOM 0 HG SER B 9 -4.195 3.000 -11.208 1.00 0.00 H new ATOM 447 N ASP B 10 -1.005 2.572 -7.511 1.00 0.00 N ATOM 448 CA ASP B 10 0.459 2.418 -7.276 1.00 0.00 C ATOM 449 C ASP B 10 0.727 1.680 -5.958 1.00 0.00 C ATOM 450 O ASP B 10 1.613 0.853 -5.878 1.00 0.00 O ATOM 451 CB ASP B 10 1.112 3.799 -7.233 1.00 0.00 C ATOM 452 CG ASP B 10 1.790 4.084 -8.575 1.00 0.00 C ATOM 453 OD1 ASP B 10 2.175 3.134 -9.236 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.914 5.248 -8.919 1.00 0.00 O ATOM 0 H ASP B 10 -1.409 3.454 -7.195 1.00 0.00 H new ATOM 0 HA ASP B 10 0.883 1.831 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.362 4.561 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.844 3.842 -6.427 1.00 0.00 H new ATOM 459 N LEU B 11 -0.011 1.972 -4.922 1.00 0.00 N ATOM 460 CA LEU B 11 0.240 1.276 -3.625 1.00 0.00 C ATOM 461 C LEU B 11 -0.288 -0.158 -3.691 1.00 0.00 C ATOM 462 O LEU B 11 -0.039 -0.966 -2.816 1.00 0.00 O ATOM 463 CB LEU B 11 -0.419 2.053 -2.470 1.00 0.00 C ATOM 464 CG LEU B 11 -1.875 1.614 -2.274 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.929 0.442 -1.303 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.682 2.776 -1.694 1.00 0.00 C ATOM 0 H LEU B 11 -0.769 2.654 -4.915 1.00 0.00 H new ATOM 0 HA LEU B 11 1.314 1.238 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.141 1.888 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.383 3.122 -2.679 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.293 1.315 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.965 0.131 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.351 -0.390 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.510 0.745 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.717 2.466 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.258 3.070 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.646 3.622 -2.380 1.00 0.00 H new ATOM 478 N VAL B 12 -0.986 -0.491 -4.737 1.00 0.00 N ATOM 479 CA VAL B 12 -1.497 -1.878 -4.877 1.00 0.00 C ATOM 480 C VAL B 12 -0.516 -2.646 -5.757 1.00 0.00 C ATOM 481 O VAL B 12 -0.384 -3.852 -5.663 1.00 0.00 O ATOM 482 CB VAL B 12 -2.878 -1.861 -5.530 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.805 -0.930 -4.752 1.00 0.00 C ATOM 484 CG2 VAL B 12 -2.742 -1.354 -6.960 1.00 0.00 C ATOM 0 H VAL B 12 -1.225 0.139 -5.502 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.586 -2.352 -3.900 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.295 -2.868 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.789 -0.921 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.896 -1.283 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.393 0.079 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.723 -1.338 -7.435 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.327 -0.346 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.079 -2.014 -7.519 1.00 0.00 H new ATOM 494 N GLU B 13 0.205 -1.940 -6.590 1.00 0.00 N ATOM 495 CA GLU B 13 1.209 -2.606 -7.449 1.00 0.00 C ATOM 496 C GLU B 13 2.335 -3.070 -6.538 1.00 0.00 C ATOM 497 O GLU B 13 2.871 -4.153 -6.679 1.00 0.00 O ATOM 498 CB GLU B 13 1.740 -1.606 -8.475 1.00 0.00 C ATOM 499 CG GLU B 13 0.907 -1.695 -9.754 1.00 0.00 C ATOM 500 CD GLU B 13 1.825 -1.990 -10.942 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.573 -1.104 -11.322 1.00 0.00 O ATOM 502 OE2 GLU B 13 1.763 -3.096 -11.452 1.00 0.00 O ATOM 0 H GLU B 13 0.136 -0.929 -6.707 1.00 0.00 H new ATOM 0 HA GLU B 13 0.777 -3.450 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.696 -0.595 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.787 -1.816 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.156 -2.479 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.372 -0.760 -9.918 1.00 0.00 H new ATOM 509 N ALA B 14 2.669 -2.260 -5.571 1.00 0.00 N ATOM 510 CA ALA B 14 3.725 -2.647 -4.609 1.00 0.00 C ATOM 511 C ALA B 14 3.145 -3.719 -3.696 1.00 0.00 C ATOM 512 O ALA B 14 3.824 -4.629 -3.276 1.00 0.00 O ATOM 513 CB ALA B 14 4.133 -1.430 -3.782 1.00 0.00 C ATOM 0 H ALA B 14 2.251 -1.344 -5.410 1.00 0.00 H new ATOM 0 HA ALA B 14 4.604 -3.024 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.911 -1.716 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.513 -0.651 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.267 -1.053 -3.238 1.00 0.00 H new ATOM 519 N LEU B 15 1.873 -3.629 -3.413 1.00 0.00 N ATOM 520 CA LEU B 15 1.227 -4.649 -2.560 1.00 0.00 C ATOM 521 C LEU B 15 1.563 -6.027 -3.126 1.00 0.00 C ATOM 522 O LEU B 15 1.667 -7.004 -2.409 1.00 0.00 O ATOM 523 CB LEU B 15 -0.289 -4.420 -2.606 1.00 0.00 C ATOM 524 CG LEU B 15 -0.768 -3.542 -1.435 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.354 -4.431 -0.339 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.386 -2.716 -0.850 1.00 0.00 C ATOM 0 H LEU B 15 1.256 -2.886 -3.741 1.00 0.00 H new ATOM 0 HA LEU B 15 1.576 -4.583 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.557 -3.945 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.803 -5.381 -2.575 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.527 -2.856 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.693 -3.810 0.490 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.197 -4.994 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.590 -5.124 0.015 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.016 -2.107 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.165 -3.386 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.798 -2.068 -1.623 1.00 0.00 H new ATOM 538 N TYR B 16 1.746 -6.104 -4.417 1.00 0.00 N ATOM 539 CA TYR B 16 2.085 -7.404 -5.055 1.00 0.00 C ATOM 540 C TYR B 16 3.587 -7.663 -4.896 1.00 0.00 C ATOM 541 O TYR B 16 4.001 -8.571 -4.202 1.00 0.00 O ATOM 542 CB TYR B 16 1.719 -7.337 -6.543 1.00 0.00 C ATOM 543 CG TYR B 16 2.478 -8.393 -7.316 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.099 -9.738 -7.224 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.562 -8.024 -8.124 1.00 0.00 C ATOM 546 CE1 TYR B 16 2.804 -10.716 -7.939 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.267 -9.002 -8.839 1.00 0.00 C ATOM 548 CZ TYR B 16 3.888 -10.347 -8.748 1.00 0.00 C ATOM 549 OH TYR B 16 4.581 -11.310 -9.452 1.00 0.00 O ATOM 0 H TYR B 16 1.674 -5.315 -5.059 1.00 0.00 H new ATOM 0 HA TYR B 16 1.530 -8.214 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.646 -7.485 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.953 -6.348 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.263 -10.022 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.854 -6.987 -8.196 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.512 -11.753 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.103 -8.718 -9.461 1.00 0.00 H new ATOM 0 HH TYR B 16 5.302 -10.886 -9.963 1.00 0.00 H new ATOM 559 N LEU B 17 4.403 -6.876 -5.543 1.00 0.00 N ATOM 560 CA LEU B 17 5.866 -7.071 -5.446 1.00 0.00 C ATOM 561 C LEU B 17 6.331 -6.912 -3.992 1.00 0.00 C ATOM 562 O LEU B 17 7.453 -7.230 -3.654 1.00 0.00 O ATOM 563 CB LEU B 17 6.557 -6.043 -6.336 1.00 0.00 C ATOM 564 CG LEU B 17 6.535 -4.679 -5.653 1.00 0.00 C ATOM 565 CD1 LEU B 17 7.895 -4.404 -5.011 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.227 -3.596 -6.688 1.00 0.00 C ATOM 0 H LEU B 17 4.110 -6.101 -6.138 1.00 0.00 H new ATOM 0 HA LEU B 17 6.124 -8.077 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.585 -6.347 -6.530 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.054 -5.986 -7.301 1.00 0.00 H new ATOM 0 HG LEU B 17 5.765 -4.672 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.877 -3.429 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.111 -5.175 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.668 -4.411 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.211 -2.621 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.995 -3.603 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.255 -3.791 -7.141 1.00 0.00 H new ATOM 578 N VAL B 18 5.478 -6.431 -3.127 1.00 0.00 N ATOM 579 CA VAL B 18 5.881 -6.267 -1.701 1.00 0.00 C ATOM 580 C VAL B 18 5.639 -7.584 -0.960 1.00 0.00 C ATOM 581 O VAL B 18 6.446 -8.016 -0.161 1.00 0.00 O ATOM 582 CB VAL B 18 5.051 -5.157 -1.049 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.223 -5.218 0.470 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.526 -3.791 -1.552 1.00 0.00 C ATOM 0 H VAL B 18 4.523 -6.146 -3.346 1.00 0.00 H new ATOM 0 HA VAL B 18 6.936 -6.000 -1.650 1.00 0.00 H new ATOM 0 HB VAL B 18 4.002 -5.296 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.633 -4.428 0.935 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.885 -6.187 0.836 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.274 -5.082 0.723 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.932 -3.005 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.576 -3.654 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.408 -3.741 -2.634 1.00 0.00 H new