USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=8 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 Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.78) 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 USER MOD Single : A 12 SER OG : rot 158:sc= -0.0633! USER MOD Single : A 18 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0106 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : B 3 ASN : amide:sc= -1.58 K(o=-1.6,f=-3!) USER MOD Single : B 4 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.7!) USER MOD Single : B 5 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= -0.171 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 2 -6.369 2.239 2.843 1.00 0.00 N ATOM 11 CA ILE A 2 -4.919 2.464 2.587 1.00 0.00 C ATOM 12 C ILE A 2 -4.720 3.837 1.943 1.00 0.00 C ATOM 13 O ILE A 2 -3.911 4.629 2.384 1.00 0.00 O ATOM 14 CB ILE A 2 -4.399 1.380 1.641 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.541 0.011 2.309 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.927 1.639 1.326 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.073 -1.079 1.343 1.00 0.00 C ATOM 0 HA ILE A 2 -4.372 2.423 3.529 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.977 1.398 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.951 -0.022 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -5.579 -0.161 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.558 0.866 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.823 2.615 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.349 1.621 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.174 -2.055 1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.682 -1.051 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.029 -0.909 1.081 1.00 0.00 H new ATOM 29 N VAL A 3 -5.446 4.121 0.898 1.00 0.00 N ATOM 30 CA VAL A 3 -5.299 5.437 0.217 1.00 0.00 C ATOM 31 C VAL A 3 -5.193 6.553 1.257 1.00 0.00 C ATOM 32 O VAL A 3 -4.495 7.527 1.059 1.00 0.00 O ATOM 33 CB VAL A 3 -6.512 5.683 -0.675 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.355 4.886 -1.969 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.778 5.230 0.054 1.00 0.00 C ATOM 0 H VAL A 3 -6.138 3.495 0.485 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.394 5.429 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.588 6.745 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.220 5.059 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.450 5.206 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.283 3.824 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.646 5.405 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.705 4.167 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.887 5.795 0.980 1.00 0.00 H new ATOM 45 N GLU A 4 -5.882 6.420 2.360 1.00 0.00 N ATOM 46 CA GLU A 4 -5.824 7.475 3.412 1.00 0.00 C ATOM 47 C GLU A 4 -4.395 8.007 3.525 1.00 0.00 C ATOM 48 O GLU A 4 -4.148 9.183 3.357 1.00 0.00 O ATOM 49 CB GLU A 4 -6.253 6.879 4.754 1.00 0.00 C ATOM 50 CG GLU A 4 -6.501 8.005 5.759 1.00 0.00 C ATOM 51 CD GLU A 4 -7.239 7.447 6.976 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.454 7.350 6.914 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.577 7.125 7.949 1.00 0.00 O ATOM 0 H GLU A 4 -6.483 5.625 2.577 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.495 8.292 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.158 6.285 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.481 6.207 5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.554 8.448 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.088 8.798 5.296 1.00 0.00 H new ATOM 60 N GLN A 5 -3.449 7.156 3.802 1.00 0.00 N ATOM 61 CA GLN A 5 -2.047 7.637 3.911 1.00 0.00 C ATOM 62 C GLN A 5 -1.239 7.192 2.689 1.00 0.00 C ATOM 63 O GLN A 5 -0.232 7.786 2.357 1.00 0.00 O ATOM 64 CB GLN A 5 -1.404 7.086 5.184 1.00 0.00 C ATOM 65 CG GLN A 5 -1.838 7.932 6.383 1.00 0.00 C ATOM 66 CD GLN A 5 -1.947 7.042 7.624 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.968 7.020 8.281 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.929 6.306 7.976 1.00 0.00 N ATOM 0 H GLN A 5 -3.584 6.157 3.956 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.053 8.726 3.954 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.699 6.047 5.333 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.318 7.099 5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.117 8.731 6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.797 8.407 6.178 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.071 6.324 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.991 5.712 8.803 1.00 0.00 H new ATOM 77 N CYS A 6 -1.661 6.157 2.014 1.00 0.00 N ATOM 78 CA CYS A 6 -0.895 5.701 0.821 1.00 0.00 C ATOM 79 C CYS A 6 -1.459 6.380 -0.428 1.00 0.00 C ATOM 80 O CYS A 6 -1.159 6.009 -1.543 1.00 0.00 O ATOM 81 CB CYS A 6 -1.005 4.182 0.683 1.00 0.00 C ATOM 82 SG CYS A 6 -0.036 3.391 1.993 1.00 0.00 S ATOM 0 H CYS A 6 -2.495 5.613 2.235 1.00 0.00 H new ATOM 0 HA CYS A 6 0.155 5.968 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.048 3.874 0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.642 3.867 -0.295 1.00 0.00 H new ATOM 87 N CYS A 7 -2.268 7.382 -0.241 1.00 0.00 N ATOM 88 CA CYS A 7 -2.851 8.105 -1.405 1.00 0.00 C ATOM 89 C CYS A 7 -3.097 9.561 -1.007 1.00 0.00 C ATOM 90 O CYS A 7 -2.908 10.470 -1.792 1.00 0.00 O ATOM 91 CB CYS A 7 -4.171 7.448 -1.815 1.00 0.00 C ATOM 92 SG CYS A 7 -4.931 8.403 -3.150 1.00 0.00 S ATOM 0 H CYS A 7 -2.553 7.734 0.673 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.162 8.064 -2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.993 6.423 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.845 7.397 -0.960 1.00 0.00 H new ATOM 97 N THR A 8 -3.496 9.792 0.216 1.00 0.00 N ATOM 98 CA THR A 8 -3.727 11.186 0.673 1.00 0.00 C ATOM 99 C THR A 8 -2.486 11.632 1.455 1.00 0.00 C ATOM 100 O THR A 8 -2.219 12.806 1.613 1.00 0.00 O ATOM 101 CB THR A 8 -4.994 11.221 1.552 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.088 11.677 0.768 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.813 12.157 2.752 1.00 0.00 C ATOM 0 H THR A 8 -3.671 9.071 0.916 1.00 0.00 H new ATOM 0 HA THR A 8 -3.883 11.865 -0.166 1.00 0.00 H new ATOM 0 HB THR A 8 -5.182 10.215 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.898 11.701 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.723 12.160 3.352 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.978 11.810 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.609 13.167 2.398 1.00 0.00 H new ATOM 111 N SER A 9 -1.723 10.685 1.929 1.00 0.00 N ATOM 112 CA SER A 9 -0.487 11.012 2.689 1.00 0.00 C ATOM 113 C SER A 9 0.693 10.282 2.038 1.00 0.00 C ATOM 114 O SER A 9 0.759 10.155 0.832 1.00 0.00 O ATOM 115 CB SER A 9 -0.657 10.548 4.134 1.00 0.00 C ATOM 116 OG SER A 9 0.063 11.417 4.998 1.00 0.00 O ATOM 0 H SER A 9 -1.907 9.688 1.820 1.00 0.00 H new ATOM 0 HA SER A 9 -0.302 12.086 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.713 10.543 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.295 9.526 4.244 1.00 0.00 H new ATOM 0 HG SER A 9 -0.047 11.121 5.926 1.00 0.00 H new ATOM 122 N ILE A 10 1.623 9.795 2.815 1.00 0.00 N ATOM 123 CA ILE A 10 2.779 9.073 2.216 1.00 0.00 C ATOM 124 C ILE A 10 2.664 7.579 2.544 1.00 0.00 C ATOM 125 O ILE A 10 2.231 7.198 3.614 1.00 0.00 O ATOM 126 CB ILE A 10 4.092 9.672 2.767 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.841 10.364 1.626 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.998 8.590 3.373 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.951 11.441 1.006 1.00 0.00 C ATOM 0 H ILE A 10 1.632 9.866 3.833 1.00 0.00 H new ATOM 0 HA ILE A 10 2.781 9.186 1.132 1.00 0.00 H new ATOM 0 HB ILE A 10 3.837 10.383 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.762 10.811 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.126 9.633 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.912 9.050 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.476 8.095 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.250 7.856 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.487 11.932 0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.042 10.982 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.688 12.178 1.765 1.00 0.00 H new ATOM 141 N CYS A 11 3.057 6.733 1.632 1.00 0.00 N ATOM 142 CA CYS A 11 2.980 5.266 1.888 1.00 0.00 C ATOM 143 C CYS A 11 4.385 4.739 2.193 1.00 0.00 C ATOM 144 O CYS A 11 5.323 4.992 1.463 1.00 0.00 O ATOM 145 CB CYS A 11 2.423 4.560 0.648 1.00 0.00 C ATOM 146 SG CYS A 11 1.733 2.952 1.119 1.00 0.00 S ATOM 0 H CYS A 11 3.429 6.994 0.719 1.00 0.00 H new ATOM 0 HA CYS A 11 2.323 5.072 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.653 5.175 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.213 4.425 -0.091 1.00 0.00 H new ATOM 151 N SER A 12 4.543 4.018 3.271 1.00 0.00 N ATOM 152 CA SER A 12 5.892 3.491 3.621 1.00 0.00 C ATOM 153 C SER A 12 5.958 1.987 3.340 1.00 0.00 C ATOM 154 O SER A 12 4.948 1.328 3.187 1.00 0.00 O ATOM 155 CB SER A 12 6.155 3.739 5.103 1.00 0.00 C ATOM 156 OG SER A 12 4.919 3.953 5.770 1.00 0.00 O ATOM 0 H SER A 12 3.798 3.772 3.922 1.00 0.00 H new ATOM 0 HA SER A 12 6.644 3.999 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.674 2.886 5.540 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.804 4.606 5.229 1.00 0.00 H new ATOM 0 HG SER A 12 5.027 3.769 6.727 1.00 0.00 H new ATOM 162 N LEU A 13 7.143 1.441 3.274 1.00 0.00 N ATOM 163 CA LEU A 13 7.282 -0.018 3.006 1.00 0.00 C ATOM 164 C LEU A 13 6.818 -0.812 4.230 1.00 0.00 C ATOM 165 O LEU A 13 6.402 -1.948 4.123 1.00 0.00 O ATOM 166 CB LEU A 13 8.746 -0.346 2.711 1.00 0.00 C ATOM 167 CG LEU A 13 8.835 -1.150 1.412 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.226 -2.537 1.625 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.070 -0.425 0.303 1.00 0.00 C ATOM 0 H LEU A 13 8.022 1.944 3.395 1.00 0.00 H new ATOM 0 HA LEU A 13 6.669 -0.287 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.325 0.573 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.176 -0.916 3.535 1.00 0.00 H new ATOM 0 HG LEU A 13 9.881 -1.251 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.290 -3.109 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.773 -3.058 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.181 -2.435 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.136 -1.000 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.024 -0.320 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.504 0.562 0.147 1.00 0.00 H new ATOM 181 N TYR A 14 6.880 -0.226 5.393 1.00 0.00 N ATOM 182 CA TYR A 14 6.434 -0.958 6.611 1.00 0.00 C ATOM 183 C TYR A 14 4.919 -0.808 6.759 1.00 0.00 C ATOM 184 O TYR A 14 4.249 -1.667 7.298 1.00 0.00 O ATOM 185 CB TYR A 14 7.139 -0.386 7.847 1.00 0.00 C ATOM 186 CG TYR A 14 6.506 0.928 8.241 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.428 0.947 9.135 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.996 2.129 7.710 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.840 2.165 9.501 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.409 3.348 8.075 1.00 0.00 C ATOM 191 CZ TYR A 14 5.330 3.365 8.971 1.00 0.00 C ATOM 192 OH TYR A 14 4.751 4.566 9.330 1.00 0.00 O ATOM 0 H TYR A 14 7.218 0.723 5.553 1.00 0.00 H new ATOM 0 HA TYR A 14 6.688 -2.014 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.073 -1.093 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.198 -0.240 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.049 0.021 9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.826 2.115 7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.010 2.178 10.191 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.787 4.274 7.667 1.00 0.00 H new ATOM 0 HH TYR A 14 5.211 5.301 8.873 1.00 0.00 H new ATOM 202 N GLN A 15 4.375 0.280 6.286 1.00 0.00 N ATOM 203 CA GLN A 15 2.905 0.488 6.400 1.00 0.00 C ATOM 204 C GLN A 15 2.175 -0.494 5.488 1.00 0.00 C ATOM 205 O GLN A 15 1.235 -1.146 5.897 1.00 0.00 O ATOM 206 CB GLN A 15 2.555 1.923 6.002 1.00 0.00 C ATOM 207 CG GLN A 15 1.202 2.303 6.606 1.00 0.00 C ATOM 208 CD GLN A 15 1.263 2.154 8.128 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.861 2.965 8.805 1.00 0.00 O ATOM 210 NE2 GLN A 15 0.664 1.144 8.696 1.00 0.00 N ATOM 0 H GLN A 15 4.886 1.033 5.826 1.00 0.00 H new ATOM 0 HA GLN A 15 2.596 0.317 7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.327 2.608 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.519 2.012 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.948 3.329 6.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.418 1.665 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.162 0.463 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.698 1.035 9.710 1.00 0.00 H new ATOM 219 N LEU A 16 2.592 -0.615 4.258 1.00 0.00 N ATOM 220 CA LEU A 16 1.906 -1.562 3.354 1.00 0.00 C ATOM 221 C LEU A 16 2.292 -2.988 3.755 1.00 0.00 C ATOM 222 O LEU A 16 1.597 -3.936 3.452 1.00 0.00 O ATOM 223 CB LEU A 16 2.283 -1.228 1.898 1.00 0.00 C ATOM 224 CG LEU A 16 3.405 -2.130 1.362 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.572 -2.133 2.345 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.883 -3.557 1.167 1.00 0.00 C ATOM 0 H LEU A 16 3.372 -0.101 3.848 1.00 0.00 H new ATOM 0 HA LEU A 16 0.822 -1.478 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.402 -1.333 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.598 -0.186 1.837 1.00 0.00 H new ATOM 0 HG LEU A 16 3.745 -1.745 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.367 -2.773 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.950 -1.118 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.234 -2.510 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.685 -4.189 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.533 -3.950 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.059 -3.549 0.454 1.00 0.00 H new ATOM 238 N GLU A 17 3.379 -3.146 4.462 1.00 0.00 N ATOM 239 CA GLU A 17 3.773 -4.507 4.904 1.00 0.00 C ATOM 240 C GLU A 17 2.731 -4.959 5.912 1.00 0.00 C ATOM 241 O GLU A 17 2.305 -6.097 5.938 1.00 0.00 O ATOM 242 CB GLU A 17 5.154 -4.459 5.559 1.00 0.00 C ATOM 243 CG GLU A 17 6.211 -4.929 4.558 1.00 0.00 C ATOM 244 CD GLU A 17 6.307 -6.455 4.595 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.044 -6.963 5.424 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.642 -7.090 3.794 1.00 0.00 O ATOM 0 H GLU A 17 4.005 -2.394 4.749 1.00 0.00 H new ATOM 0 HA GLU A 17 3.824 -5.197 4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.376 -3.444 5.889 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.170 -5.093 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.950 -4.595 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.178 -4.487 4.800 1.00 0.00 H new ATOM 253 N ASN A 18 2.292 -4.038 6.714 1.00 0.00 N ATOM 254 CA ASN A 18 1.240 -4.338 7.711 1.00 0.00 C ATOM 255 C ASN A 18 -0.092 -4.456 6.974 1.00 0.00 C ATOM 256 O ASN A 18 -1.014 -5.109 7.420 1.00 0.00 O ATOM 257 CB ASN A 18 1.170 -3.190 8.719 1.00 0.00 C ATOM 258 CG ASN A 18 1.887 -3.592 10.009 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.714 -4.481 10.007 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.602 -2.968 11.120 1.00 0.00 N ATOM 0 H ASN A 18 2.624 -3.074 6.720 1.00 0.00 H new ATOM 0 HA ASN A 18 1.460 -5.267 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.631 -2.296 8.299 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.130 -2.943 8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.074 -3.227 11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.907 -2.221 11.122 1.00 0.00 H new ATOM 267 N TYR A 19 -0.185 -3.821 5.836 1.00 0.00 N ATOM 268 CA TYR A 19 -1.438 -3.878 5.041 1.00 0.00 C ATOM 269 C TYR A 19 -1.624 -5.291 4.485 1.00 0.00 C ATOM 270 O TYR A 19 -2.731 -5.747 4.282 1.00 0.00 O ATOM 271 CB TYR A 19 -1.339 -2.877 3.885 1.00 0.00 C ATOM 272 CG TYR A 19 -1.494 -1.461 4.404 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.675 -1.220 5.775 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.454 -0.386 3.507 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.816 0.093 6.244 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.594 0.927 3.977 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.775 1.166 5.345 1.00 0.00 C ATOM 278 OH TYR A 19 -1.913 2.459 5.807 1.00 0.00 O ATOM 0 H TYR A 19 0.562 -3.262 5.423 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.290 -3.627 5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.378 -2.985 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.111 -3.087 3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.706 -2.047 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.315 -0.569 2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.956 0.277 7.299 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.562 1.755 3.284 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.860 3.083 5.053 1.00 0.00 H new ATOM 288 N CYS A 20 -0.548 -5.991 4.239 1.00 0.00 N ATOM 289 CA CYS A 20 -0.675 -7.374 3.702 1.00 0.00 C ATOM 290 C CYS A 20 -1.091 -8.318 4.831 1.00 0.00 C ATOM 291 O CYS A 20 -0.291 -8.693 5.666 1.00 0.00 O ATOM 292 CB CYS A 20 0.665 -7.834 3.121 1.00 0.00 C ATOM 293 SG CYS A 20 0.553 -9.590 2.691 1.00 0.00 S ATOM 0 H CYS A 20 0.407 -5.666 4.386 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.429 -7.386 2.914 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.914 -7.246 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.464 -7.674 3.845 1.00 0.00 H new ATOM 0 HG CYS A 20 1.687 -9.988 2.195 1.00 0.00 H new ATOM 352 N ASN B 3 8.357 6.570 -0.405 1.00 0.00 N ATOM 353 CA ASN B 3 7.556 7.401 0.535 1.00 0.00 C ATOM 354 C ASN B 3 6.811 8.485 -0.248 1.00 0.00 C ATOM 355 O ASN B 3 6.994 9.664 -0.021 1.00 0.00 O ATOM 356 CB ASN B 3 8.487 8.059 1.557 1.00 0.00 C ATOM 357 CG ASN B 3 9.443 9.012 0.837 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.502 9.030 -0.376 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.200 9.810 1.539 1.00 0.00 N ATOM 0 HA ASN B 3 6.836 6.768 1.054 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.903 8.604 2.299 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.052 7.297 2.094 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.841 10.449 1.069 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.150 9.795 2.558 1.00 0.00 H new ATOM 366 N GLN B 4 5.979 8.094 -1.176 1.00 0.00 N ATOM 367 CA GLN B 4 5.232 9.095 -1.976 1.00 0.00 C ATOM 368 C GLN B 4 3.771 8.658 -2.118 1.00 0.00 C ATOM 369 O GLN B 4 3.356 7.651 -1.573 1.00 0.00 O ATOM 370 CB GLN B 4 5.867 9.190 -3.360 1.00 0.00 C ATOM 371 CG GLN B 4 6.756 10.433 -3.437 1.00 0.00 C ATOM 372 CD GLN B 4 6.134 11.450 -4.395 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.984 11.324 -4.770 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.848 12.459 -4.812 1.00 0.00 N ATOM 0 H GLN B 4 5.787 7.120 -1.412 1.00 0.00 H new ATOM 0 HA GLN B 4 5.269 10.064 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.457 8.296 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.091 9.239 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.869 10.873 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.754 10.158 -3.780 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.813 12.566 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.442 13.141 -5.452 1.00 0.00 H new ATOM 383 N HIS B 5 2.988 9.408 -2.849 1.00 0.00 N ATOM 384 CA HIS B 5 1.563 9.047 -3.037 1.00 0.00 C ATOM 385 C HIS B 5 1.447 8.020 -4.165 1.00 0.00 C ATOM 386 O HIS B 5 1.718 8.312 -5.313 1.00 0.00 O ATOM 387 CB HIS B 5 0.763 10.298 -3.400 1.00 0.00 C ATOM 388 CG HIS B 5 1.078 11.396 -2.422 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.247 11.669 -1.355 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.126 12.271 -2.359 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.806 12.686 -0.684 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.958 13.088 -1.261 1.00 0.00 N ATOM 0 H HIS B 5 3.283 10.261 -3.325 1.00 0.00 H new ATOM 0 HA HIS B 5 1.169 8.622 -2.114 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.007 10.618 -4.413 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -0.304 10.077 -3.384 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.951 12.315 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.387 13.129 0.207 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.575 13.839 -0.950 1.00 0.00 H new ATOM 400 N LEU B 6 1.059 6.815 -3.849 1.00 0.00 N ATOM 401 CA LEU B 6 0.941 5.767 -4.899 1.00 0.00 C ATOM 402 C LEU B 6 -0.527 5.376 -5.086 1.00 0.00 C ATOM 403 O LEU B 6 -0.819 4.320 -5.572 1.00 0.00 O ATOM 404 CB LEU B 6 1.738 4.532 -4.474 1.00 0.00 C ATOM 405 CG LEU B 6 1.951 4.536 -2.958 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.614 4.314 -2.252 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.916 3.415 -2.580 1.00 0.00 C ATOM 0 H LEU B 6 0.818 6.511 -2.906 1.00 0.00 H new ATOM 0 HA LEU B 6 1.332 6.158 -5.838 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.207 3.628 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.701 4.519 -4.984 1.00 0.00 H new ATOM 0 HG LEU B 6 2.367 5.496 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.767 4.317 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.077 5.112 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.197 3.354 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.070 3.416 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.498 2.456 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.871 3.572 -3.082 1.00 0.00 H new ATOM 419 N CYS B 7 -1.427 6.235 -4.690 1.00 0.00 N ATOM 420 CA CYS B 7 -2.911 5.982 -4.805 1.00 0.00 C ATOM 421 C CYS B 7 -3.282 4.686 -5.558 1.00 0.00 C ATOM 422 O CYS B 7 -2.757 4.374 -6.609 1.00 0.00 O ATOM 423 CB CYS B 7 -3.550 7.163 -5.532 1.00 0.00 C ATOM 424 SG CYS B 7 -3.445 8.641 -4.495 1.00 0.00 S ATOM 0 H CYS B 7 -1.195 7.137 -4.275 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.283 5.865 -3.787 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.044 7.336 -6.482 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.592 6.941 -5.762 1.00 0.00 H new ATOM 429 N GLY B 8 -4.238 3.969 -5.016 1.00 0.00 N ATOM 430 CA GLY B 8 -4.755 2.704 -5.636 1.00 0.00 C ATOM 431 C GLY B 8 -3.754 2.065 -6.603 1.00 0.00 C ATOM 432 O GLY B 8 -2.737 1.548 -6.205 1.00 0.00 O ATOM 0 H GLY B 8 -4.697 4.217 -4.139 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.998 1.991 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.682 2.918 -6.168 1.00 0.00 H new ATOM 436 N SER B 9 -4.079 2.071 -7.871 1.00 0.00 N ATOM 437 CA SER B 9 -3.206 1.443 -8.915 1.00 0.00 C ATOM 438 C SER B 9 -1.731 1.416 -8.496 1.00 0.00 C ATOM 439 O SER B 9 -1.038 0.444 -8.726 1.00 0.00 O ATOM 440 CB SER B 9 -3.340 2.233 -10.217 1.00 0.00 C ATOM 441 OG SER B 9 -2.534 3.403 -10.141 1.00 0.00 O ATOM 0 H SER B 9 -4.932 2.494 -8.236 1.00 0.00 H new ATOM 0 HA SER B 9 -3.534 0.412 -9.048 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.031 1.618 -11.062 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.382 2.505 -10.385 1.00 0.00 H new ATOM 0 HG SER B 9 -2.616 3.911 -10.975 1.00 0.00 H new ATOM 447 N ASP B 10 -1.234 2.466 -7.908 1.00 0.00 N ATOM 448 CA ASP B 10 0.202 2.475 -7.514 1.00 0.00 C ATOM 449 C ASP B 10 0.377 1.913 -6.098 1.00 0.00 C ATOM 450 O ASP B 10 1.401 1.344 -5.774 1.00 0.00 O ATOM 451 CB ASP B 10 0.729 3.908 -7.569 1.00 0.00 C ATOM 452 CG ASP B 10 1.505 4.117 -8.870 1.00 0.00 C ATOM 453 OD1 ASP B 10 0.906 3.970 -9.923 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.684 4.417 -8.792 1.00 0.00 O ATOM 0 H ASP B 10 -1.755 3.314 -7.684 1.00 0.00 H new ATOM 0 HA ASP B 10 0.763 1.847 -8.206 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.099 4.614 -7.510 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.375 4.102 -6.713 1.00 0.00 H new ATOM 459 N LEU B 11 -0.603 2.067 -5.250 1.00 0.00 N ATOM 460 CA LEU B 11 -0.468 1.541 -3.863 1.00 0.00 C ATOM 461 C LEU B 11 -0.746 0.037 -3.871 1.00 0.00 C ATOM 462 O LEU B 11 -0.094 -0.726 -3.185 1.00 0.00 O ATOM 463 CB LEU B 11 -1.444 2.275 -2.934 1.00 0.00 C ATOM 464 CG LEU B 11 -2.854 1.701 -3.077 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.984 0.447 -2.214 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.869 2.745 -2.607 1.00 0.00 C ATOM 0 H LEU B 11 -1.487 2.532 -5.457 1.00 0.00 H new ATOM 0 HA LEU B 11 0.544 1.710 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.111 2.183 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.452 3.339 -3.172 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.042 1.445 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.989 0.038 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.255 -0.296 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.801 0.703 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.877 2.343 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.678 2.993 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.775 3.644 -3.217 1.00 0.00 H new ATOM 478 N VAL B 12 -1.682 -0.402 -4.666 1.00 0.00 N ATOM 479 CA VAL B 12 -1.965 -1.860 -4.739 1.00 0.00 C ATOM 480 C VAL B 12 -0.846 -2.507 -5.557 1.00 0.00 C ATOM 481 O VAL B 12 -0.549 -3.676 -5.416 1.00 0.00 O ATOM 482 CB VAL B 12 -3.319 -2.097 -5.410 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.470 -1.152 -6.601 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.410 -3.547 -5.896 1.00 0.00 C ATOM 0 H VAL B 12 -2.261 0.185 -5.266 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.005 -2.295 -3.740 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.115 -1.908 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.435 -1.321 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.412 -0.120 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.671 -1.340 -7.319 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.376 -3.711 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.613 -3.741 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.305 -4.223 -5.047 1.00 0.00 H new ATOM 494 N GLU B 13 -0.206 -1.735 -6.395 1.00 0.00 N ATOM 495 CA GLU B 13 0.917 -2.280 -7.201 1.00 0.00 C ATOM 496 C GLU B 13 2.071 -2.574 -6.248 1.00 0.00 C ATOM 497 O GLU B 13 2.679 -3.625 -6.290 1.00 0.00 O ATOM 498 CB GLU B 13 1.351 -1.243 -8.239 1.00 0.00 C ATOM 499 CG GLU B 13 0.751 -1.600 -9.600 1.00 0.00 C ATOM 500 CD GLU B 13 1.155 -0.542 -10.629 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.268 -0.620 -11.122 1.00 0.00 O ATOM 502 OE2 GLU B 13 0.345 0.327 -10.906 1.00 0.00 O ATOM 0 H GLU B 13 -0.415 -0.749 -6.554 1.00 0.00 H new ATOM 0 HA GLU B 13 0.614 -3.188 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.023 -0.249 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.439 -1.213 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.100 -2.583 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.335 -1.656 -9.527 1.00 0.00 H new ATOM 509 N ALA B 14 2.351 -1.657 -5.361 1.00 0.00 N ATOM 510 CA ALA B 14 3.436 -1.885 -4.373 1.00 0.00 C ATOM 511 C ALA B 14 3.017 -3.058 -3.492 1.00 0.00 C ATOM 512 O ALA B 14 3.822 -3.867 -3.075 1.00 0.00 O ATOM 513 CB ALA B 14 3.618 -0.631 -3.515 1.00 0.00 C ATOM 0 H ALA B 14 1.873 -0.760 -5.281 1.00 0.00 H new ATOM 0 HA ALA B 14 4.378 -2.102 -4.876 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.414 -0.799 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.881 0.212 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.689 -0.412 -2.989 1.00 0.00 H new ATOM 519 N LEU B 15 1.743 -3.158 -3.228 1.00 0.00 N ATOM 520 CA LEU B 15 1.220 -4.274 -2.403 1.00 0.00 C ATOM 521 C LEU B 15 1.661 -5.597 -3.030 1.00 0.00 C ATOM 522 O LEU B 15 1.821 -6.596 -2.357 1.00 0.00 O ATOM 523 CB LEU B 15 -0.311 -4.184 -2.409 1.00 0.00 C ATOM 524 CG LEU B 15 -0.842 -3.353 -1.226 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.355 -4.294 -0.138 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.256 -2.456 -0.635 1.00 0.00 C ATOM 0 H LEU B 15 1.035 -2.501 -3.556 1.00 0.00 H new ATOM 0 HA LEU B 15 1.596 -4.217 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.645 -3.737 -3.345 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.734 -5.188 -2.366 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.648 -2.717 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.732 -3.709 0.701 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.159 -4.911 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.541 -4.934 0.202 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.151 -1.883 0.198 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.080 -3.075 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.620 -1.773 -1.402 1.00 0.00 H new ATOM 538 N TYR B 16 1.863 -5.603 -4.320 1.00 0.00 N ATOM 539 CA TYR B 16 2.301 -6.849 -5.006 1.00 0.00 C ATOM 540 C TYR B 16 3.812 -7.006 -4.826 1.00 0.00 C ATOM 541 O TYR B 16 4.272 -7.825 -4.055 1.00 0.00 O ATOM 542 CB TYR B 16 1.962 -6.747 -6.500 1.00 0.00 C ATOM 543 CG TYR B 16 2.777 -7.747 -7.289 1.00 0.00 C ATOM 544 CD1 TYR B 16 3.025 -9.021 -6.762 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.282 -7.399 -8.548 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.779 -9.947 -7.495 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.035 -8.326 -9.281 1.00 0.00 C ATOM 548 CZ TYR B 16 4.284 -9.600 -8.754 1.00 0.00 C ATOM 549 OH TYR B 16 5.025 -10.512 -9.477 1.00 0.00 O ATOM 0 H TYR B 16 1.742 -4.794 -4.929 1.00 0.00 H new ATOM 0 HA TYR B 16 1.791 -7.713 -4.580 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.899 -6.932 -6.653 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.165 -5.738 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.635 -9.289 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.091 -6.417 -8.954 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.971 -10.929 -7.089 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.424 -8.058 -10.252 1.00 0.00 H new ATOM 0 HH TYR B 16 5.297 -10.111 -10.328 1.00 0.00 H new ATOM 559 N LEU B 17 4.584 -6.228 -5.530 1.00 0.00 N ATOM 560 CA LEU B 17 6.054 -6.331 -5.401 1.00 0.00 C ATOM 561 C LEU B 17 6.436 -6.370 -3.917 1.00 0.00 C ATOM 562 O LEU B 17 7.454 -6.919 -3.544 1.00 0.00 O ATOM 563 CB LEU B 17 6.700 -5.129 -6.094 1.00 0.00 C ATOM 564 CG LEU B 17 6.681 -3.918 -5.164 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.051 -3.758 -4.503 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.351 -2.660 -5.969 1.00 0.00 C ATOM 0 H LEU B 17 4.254 -5.524 -6.190 1.00 0.00 H new ATOM 0 HA LEU B 17 6.410 -7.247 -5.873 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.726 -5.368 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.165 -4.899 -7.015 1.00 0.00 H new ATOM 0 HG LEU B 17 5.923 -4.065 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.036 -2.893 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.284 -4.654 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.811 -3.613 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.338 -1.796 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.107 -2.513 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.373 -2.773 -6.437 1.00 0.00 H new ATOM 578 N VAL B 18 5.624 -5.800 -3.067 1.00 0.00 N ATOM 579 CA VAL B 18 5.945 -5.817 -1.612 1.00 0.00 C ATOM 580 C VAL B 18 5.573 -7.185 -1.030 1.00 0.00 C ATOM 581 O VAL B 18 6.356 -8.114 -1.060 1.00 0.00 O ATOM 582 CB VAL B 18 5.150 -4.728 -0.893 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.253 -4.942 0.616 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.716 -3.351 -1.248 1.00 0.00 C ATOM 0 H VAL B 18 4.756 -5.326 -3.317 1.00 0.00 H new ATOM 0 HA VAL B 18 7.011 -5.633 -1.475 1.00 0.00 H new ATOM 0 HB VAL B 18 4.107 -4.779 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.687 -4.167 1.133 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.847 -5.920 0.873 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.299 -4.892 0.920 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.145 -2.579 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.760 -3.296 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.646 -3.196 -2.325 1.00 0.00 H new