USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 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 NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0.847 (180deg=0.737) USER MOD Single : A 5 GLN : amide:sc= 0.606 K(o=0.61,f=-0.014) USER MOD Single : A 8 THR OG1 : rot 150:sc= 0.0314 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.653 K(o=0.65,f=-3.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.0472 X(o=-0.047,f=-0.33) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 5 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.16) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.402 -2.578 -0.594 1.00 0.00 N ATOM 2 CA GLY A 1 -2.568 -2.218 -2.021 1.00 0.00 C ATOM 3 C GLY A 1 -1.718 -1.019 -2.420 1.00 0.00 C ATOM 4 O GLY A 1 -1.157 -0.336 -1.565 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.818 -3.515 -0.422 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.390 -2.600 -0.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.882 -1.872 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.300 -3.073 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.617 -1.998 -2.218 1.00 0.00 H new ATOM 10 N ILE A 2 -1.630 -0.735 -3.725 1.00 0.00 N ATOM 11 CA ILE A 2 -0.760 0.310 -4.315 1.00 0.00 C ATOM 12 C ILE A 2 -0.992 1.718 -3.740 1.00 0.00 C ATOM 13 O ILE A 2 -0.036 2.450 -3.488 1.00 0.00 O ATOM 14 CB ILE A 2 -0.893 0.293 -5.860 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.096 1.293 -6.502 1.00 0.00 C ATOM 16 CG2 ILE A 2 -2.340 0.506 -6.348 1.00 0.00 C ATOM 17 CD1 ILE A 2 0.044 1.343 -8.031 1.00 0.00 C ATOM 0 H ILE A 2 -2.175 -1.236 -4.427 1.00 0.00 H new ATOM 0 HA ILE A 2 0.264 0.062 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.625 -0.710 -6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.109 2.290 -6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.108 1.032 -6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.364 0.483 -7.438 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.977 -0.286 -5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.704 1.472 -5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.770 2.070 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.281 0.359 -8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.956 1.636 -8.352 1.00 0.00 H new ATOM 29 N VAL A 3 -2.247 2.096 -3.476 1.00 0.00 N ATOM 30 CA VAL A 3 -2.616 3.404 -2.896 1.00 0.00 C ATOM 31 C VAL A 3 -1.929 3.656 -1.542 1.00 0.00 C ATOM 32 O VAL A 3 -1.455 4.755 -1.268 1.00 0.00 O ATOM 33 CB VAL A 3 -4.156 3.520 -2.829 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.853 2.417 -2.020 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.592 4.858 -2.241 1.00 0.00 C ATOM 0 H VAL A 3 -3.052 1.497 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.248 4.197 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.463 3.420 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.930 2.583 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.632 1.446 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.493 2.437 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.681 4.904 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.195 4.958 -1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.212 5.669 -2.862 1.00 0.00 H new ATOM 45 N GLU A 4 -1.774 2.607 -0.742 1.00 0.00 N ATOM 46 CA GLU A 4 -1.109 2.595 0.574 1.00 0.00 C ATOM 47 C GLU A 4 0.431 2.642 0.509 1.00 0.00 C ATOM 48 O GLU A 4 1.089 2.664 1.553 1.00 0.00 O ATOM 49 CB GLU A 4 -1.574 1.375 1.384 1.00 0.00 C ATOM 50 CG GLU A 4 -3.101 1.284 1.464 1.00 0.00 C ATOM 51 CD GLU A 4 -3.533 0.015 2.217 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.494 -1.082 1.604 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 -3.915 0.100 3.410 1.00 0.00 O ATOM 0 H GLU A 4 -2.126 1.685 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.408 3.517 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.181 0.466 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.161 1.431 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.496 2.165 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.523 1.277 0.459 1.00 0.00 H new ATOM 60 N GLN A 5 1.008 2.690 -0.696 1.00 0.00 N ATOM 61 CA GLN A 5 2.416 3.023 -0.942 1.00 0.00 C ATOM 62 C GLN A 5 2.574 4.339 -1.726 1.00 0.00 C ATOM 63 O GLN A 5 3.522 5.085 -1.467 1.00 0.00 O ATOM 64 CB GLN A 5 3.083 1.840 -1.671 1.00 0.00 C ATOM 65 CG GLN A 5 4.582 2.022 -1.971 1.00 0.00 C ATOM 66 CD GLN A 5 5.441 2.238 -0.726 1.00 0.00 C ATOM 67 OE1 GLN A 5 5.991 1.310 -0.144 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.596 3.463 -0.268 1.00 0.00 N ATOM 0 H GLN A 5 0.493 2.492 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 5 2.914 3.187 0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.955 0.942 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.558 1.669 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.945 1.143 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.708 2.874 -2.639 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.145 4.245 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.168 3.629 0.560 1.00 0.00 H new ATOM 77 N CYS A 6 1.671 4.622 -2.672 1.00 0.00 N ATOM 78 CA CYS A 6 1.835 5.688 -3.668 1.00 0.00 C ATOM 79 C CYS A 6 0.942 6.925 -3.475 1.00 0.00 C ATOM 80 O CYS A 6 1.258 7.966 -4.053 1.00 0.00 O ATOM 81 CB CYS A 6 1.668 5.096 -5.074 1.00 0.00 C ATOM 82 SG CYS A 6 2.876 3.822 -5.543 1.00 0.00 S ATOM 0 H CYS A 6 0.794 4.110 -2.769 1.00 0.00 H new ATOM 0 HA CYS A 6 2.844 6.075 -3.527 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.668 4.668 -5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.724 5.908 -5.799 1.00 0.00 H new ATOM 87 N CYS A 7 -0.127 6.856 -2.668 1.00 0.00 N ATOM 88 CA CYS A 7 -0.890 8.047 -2.250 1.00 0.00 C ATOM 89 C CYS A 7 -0.500 8.504 -0.829 1.00 0.00 C ATOM 90 O CYS A 7 -0.614 9.682 -0.483 1.00 0.00 O ATOM 91 CB CYS A 7 -2.386 7.746 -2.385 1.00 0.00 C ATOM 92 SG CYS A 7 -3.487 9.166 -2.135 1.00 0.00 S ATOM 0 H CYS A 7 -0.487 5.981 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.645 8.886 -2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.569 7.335 -3.378 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.650 6.971 -1.666 1.00 0.00 H new ATOM 97 N THR A 8 0.009 7.574 -0.018 1.00 0.00 N ATOM 98 CA THR A 8 0.551 7.797 1.335 1.00 0.00 C ATOM 99 C THR A 8 1.972 8.376 1.324 1.00 0.00 C ATOM 100 O THR A 8 2.361 9.089 2.253 1.00 0.00 O ATOM 101 CB THR A 8 0.580 6.459 2.086 1.00 0.00 C ATOM 102 OG1 THR A 8 1.312 5.527 1.319 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.823 5.891 2.292 1.00 0.00 C ATOM 0 H THR A 8 0.059 6.594 -0.296 1.00 0.00 H new ATOM 0 HA THR A 8 -0.098 8.523 1.825 1.00 0.00 H new ATOM 0 HB THR A 8 1.035 6.633 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.747 4.883 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.757 4.944 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.419 6.595 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.295 5.728 1.323 1.00 0.00 H new ATOM 111 N SER A 9 2.746 8.083 0.274 1.00 0.00 N ATOM 112 CA SER A 9 4.115 8.553 0.033 1.00 0.00 C ATOM 113 C SER A 9 4.403 8.641 -1.475 1.00 0.00 C ATOM 114 O SER A 9 3.586 8.231 -2.301 1.00 0.00 O ATOM 115 CB SER A 9 5.107 7.608 0.723 1.00 0.00 C ATOM 116 OG SER A 9 6.391 8.212 0.801 1.00 0.00 O ATOM 0 H SER A 9 2.414 7.475 -0.475 1.00 0.00 H new ATOM 0 HA SER A 9 4.228 9.554 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.751 7.364 1.724 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.171 6.671 0.170 1.00 0.00 H new ATOM 0 HG SER A 9 7.014 7.600 1.245 1.00 0.00 H new ATOM 122 N ILE A 10 5.566 9.172 -1.854 1.00 0.00 N ATOM 123 CA ILE A 10 5.999 9.309 -3.253 1.00 0.00 C ATOM 124 C ILE A 10 6.256 7.934 -3.896 1.00 0.00 C ATOM 125 O ILE A 10 6.835 7.044 -3.266 1.00 0.00 O ATOM 126 CB ILE A 10 7.235 10.241 -3.329 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.791 11.669 -2.941 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.900 10.231 -4.716 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.862 12.759 -3.032 1.00 0.00 C ATOM 0 H ILE A 10 6.250 9.527 -1.186 1.00 0.00 H new ATOM 0 HA ILE A 10 5.198 9.769 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 10 7.990 9.875 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.957 11.954 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.414 11.644 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.760 10.901 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.229 9.220 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.183 10.565 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.433 13.716 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.690 12.512 -2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.226 12.826 -4.057 1.00 0.00 H new ATOM 141 N CYS A 11 5.889 7.793 -5.176 1.00 0.00 N ATOM 142 CA CYS A 11 6.293 6.674 -6.032 1.00 0.00 C ATOM 143 C CYS A 11 7.012 7.158 -7.302 1.00 0.00 C ATOM 144 O CYS A 11 6.596 8.121 -7.949 1.00 0.00 O ATOM 145 CB CYS A 11 5.089 5.779 -6.358 1.00 0.00 C ATOM 146 SG CYS A 11 4.674 4.629 -5.022 1.00 0.00 S ATOM 0 H CYS A 11 5.291 8.468 -5.653 1.00 0.00 H new ATOM 0 HA CYS A 11 7.014 6.071 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.224 6.407 -6.570 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.301 5.212 -7.264 1.00 0.00 H new ATOM 151 N SER A 12 8.083 6.454 -7.665 1.00 0.00 N ATOM 152 CA SER A 12 8.825 6.632 -8.920 1.00 0.00 C ATOM 153 C SER A 12 8.324 5.669 -9.999 1.00 0.00 C ATOM 154 O SER A 12 7.700 4.647 -9.699 1.00 0.00 O ATOM 155 CB SER A 12 10.332 6.452 -8.688 1.00 0.00 C ATOM 156 OG SER A 12 10.818 7.434 -7.787 1.00 0.00 O ATOM 0 H SER A 12 8.474 5.718 -7.076 1.00 0.00 H new ATOM 0 HA SER A 12 8.650 7.649 -9.272 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.528 5.456 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.863 6.526 -9.637 1.00 0.00 H new ATOM 0 HG SER A 12 11.779 7.304 -7.649 1.00 0.00 H new ATOM 162 N LEU A 13 8.633 5.956 -11.267 1.00 0.00 N ATOM 163 CA LEU A 13 8.164 5.169 -12.417 1.00 0.00 C ATOM 164 C LEU A 13 8.572 3.684 -12.317 1.00 0.00 C ATOM 165 O LEU A 13 7.781 2.793 -12.621 1.00 0.00 O ATOM 166 CB LEU A 13 8.621 5.886 -13.703 1.00 0.00 C ATOM 167 CG LEU A 13 10.094 5.703 -14.122 1.00 0.00 C ATOM 168 CD1 LEU A 13 10.267 4.523 -15.078 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.586 6.953 -14.847 1.00 0.00 C ATOM 0 H LEU A 13 9.221 6.747 -11.529 1.00 0.00 H new ATOM 0 HA LEU A 13 7.075 5.122 -12.433 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.991 5.544 -14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.434 6.953 -13.581 1.00 0.00 H new ATOM 0 HG LEU A 13 10.665 5.521 -13.211 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.318 4.426 -15.350 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.933 3.607 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.674 4.693 -15.976 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.627 6.817 -15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.978 7.121 -15.736 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.505 7.814 -14.183 1.00 0.00 H new ATOM 181 N TYR A 14 9.766 3.422 -11.776 1.00 0.00 N ATOM 182 CA TYR A 14 10.324 2.082 -11.559 1.00 0.00 C ATOM 183 C TYR A 14 9.548 1.259 -10.515 1.00 0.00 C ATOM 184 O TYR A 14 9.536 0.029 -10.578 1.00 0.00 O ATOM 185 CB TYR A 14 11.790 2.236 -11.122 1.00 0.00 C ATOM 186 CG TYR A 14 12.625 3.140 -12.012 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.997 2.712 -13.301 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.005 4.421 -11.560 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.749 3.559 -14.140 1.00 0.00 C ATOM 190 CE2 TYR A 14 13.747 5.274 -12.400 1.00 0.00 C ATOM 191 CZ TYR A 14 14.121 4.846 -13.693 1.00 0.00 C ATOM 192 OH TYR A 14 14.839 5.677 -14.498 1.00 0.00 O ATOM 0 H TYR A 14 10.394 4.164 -11.466 1.00 0.00 H new ATOM 0 HA TYR A 14 10.244 1.531 -12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.813 2.628 -10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.252 1.249 -11.093 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.705 1.732 -13.648 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.727 4.748 -10.569 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.041 3.224 -15.124 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.031 6.257 -12.055 1.00 0.00 H new ATOM 0 HH TYR A 14 15.006 6.522 -14.030 1.00 0.00 H new ATOM 202 N GLN A 15 8.880 1.928 -9.566 1.00 0.00 N ATOM 203 CA GLN A 15 7.992 1.297 -8.583 1.00 0.00 C ATOM 204 C GLN A 15 6.624 1.008 -9.211 1.00 0.00 C ATOM 205 O GLN A 15 6.107 -0.101 -9.082 1.00 0.00 O ATOM 206 CB GLN A 15 7.835 2.201 -7.348 1.00 0.00 C ATOM 207 CG GLN A 15 9.158 2.500 -6.633 1.00 0.00 C ATOM 208 CD GLN A 15 8.909 3.471 -5.490 1.00 0.00 C ATOM 209 OE1 GLN A 15 9.135 4.668 -5.605 1.00 0.00 O ATOM 210 NE2 GLN A 15 8.370 3.015 -4.381 1.00 0.00 N ATOM 0 H GLN A 15 8.943 2.940 -9.459 1.00 0.00 H new ATOM 0 HA GLN A 15 8.436 0.353 -8.268 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.376 3.141 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.151 1.726 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.594 1.577 -6.251 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.875 2.925 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.179 2.018 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.143 3.658 -3.623 1.00 0.00 H new ATOM 219 N LEU A 16 6.063 1.979 -9.944 1.00 0.00 N ATOM 220 CA LEU A 16 4.765 1.856 -10.620 1.00 0.00 C ATOM 221 C LEU A 16 4.732 0.721 -11.665 1.00 0.00 C ATOM 222 O LEU A 16 3.709 0.051 -11.796 1.00 0.00 O ATOM 223 CB LEU A 16 4.391 3.202 -11.246 1.00 0.00 C ATOM 224 CG LEU A 16 4.125 4.347 -10.249 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.925 5.649 -11.023 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.880 4.108 -9.392 1.00 0.00 C ATOM 0 H LEU A 16 6.506 2.887 -10.086 1.00 0.00 H new ATOM 0 HA LEU A 16 4.023 1.583 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.195 3.507 -11.916 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.500 3.063 -11.859 1.00 0.00 H new ATOM 0 HG LEU A 16 4.988 4.399 -9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.736 6.463 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.822 5.869 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.074 5.545 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.742 4.946 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.006 4.018 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.004 3.189 -8.819 1.00 0.00 H new ATOM 238 N GLU A 17 5.848 0.436 -12.351 1.00 0.00 N ATOM 239 CA GLU A 17 5.972 -0.722 -13.260 1.00 0.00 C ATOM 240 C GLU A 17 5.681 -2.071 -12.574 1.00 0.00 C ATOM 241 O GLU A 17 5.063 -2.948 -13.183 1.00 0.00 O ATOM 242 CB GLU A 17 7.386 -0.793 -13.863 1.00 0.00 C ATOM 243 CG GLU A 17 7.616 0.200 -15.004 1.00 0.00 C ATOM 244 CD GLU A 17 9.001 -0.022 -15.645 1.00 0.00 C ATOM 245 OE1 GLU A 17 10.020 0.458 -15.093 1.00 0.00 O ATOM 246 OE2 GLU A 17 9.081 -0.695 -16.702 1.00 0.00 O1- ATOM 0 H GLU A 17 6.695 1.001 -12.294 1.00 0.00 H new ATOM 0 HA GLU A 17 5.223 -0.562 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.117 -0.606 -13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.565 -1.804 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.837 0.083 -15.758 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.543 1.220 -14.626 1.00 0.00 H new ATOM 253 N ASN A 18 6.079 -2.245 -11.308 1.00 0.00 N ATOM 254 CA ASN A 18 5.926 -3.516 -10.584 1.00 0.00 C ATOM 255 C ASN A 18 4.449 -3.871 -10.326 1.00 0.00 C ATOM 256 O ASN A 18 4.101 -5.049 -10.229 1.00 0.00 O ATOM 257 CB ASN A 18 6.716 -3.451 -9.262 1.00 0.00 C ATOM 258 CG ASN A 18 8.223 -3.311 -9.437 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.803 -3.608 -10.472 1.00 0.00 O ATOM 260 ND2 ASN A 18 8.916 -2.884 -8.405 1.00 0.00 N ATOM 0 H ASN A 18 6.517 -1.509 -10.755 1.00 0.00 H new ATOM 0 HA ASN A 18 6.329 -4.312 -11.211 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.351 -2.608 -8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.511 -4.353 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.931 -2.802 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.439 -2.634 -7.539 1.00 0.00 H new ATOM 267 N TYR A 19 3.570 -2.865 -10.269 1.00 0.00 N ATOM 268 CA TYR A 19 2.127 -3.028 -10.073 1.00 0.00 C ATOM 269 C TYR A 19 1.365 -3.419 -11.354 1.00 0.00 C ATOM 270 O TYR A 19 0.196 -3.804 -11.277 1.00 0.00 O ATOM 271 CB TYR A 19 1.568 -1.743 -9.457 1.00 0.00 C ATOM 272 CG TYR A 19 2.122 -1.426 -8.079 1.00 0.00 C ATOM 273 CD1 TYR A 19 1.612 -2.097 -6.950 1.00 0.00 C ATOM 274 CD2 TYR A 19 3.120 -0.444 -7.920 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.086 -1.778 -5.662 1.00 0.00 C ATOM 276 CE2 TYR A 19 3.602 -0.127 -6.635 1.00 0.00 C ATOM 277 CZ TYR A 19 3.092 -0.800 -5.504 1.00 0.00 C ATOM 278 OH TYR A 19 3.559 -0.493 -4.264 1.00 0.00 O ATOM 0 H TYR A 19 3.851 -1.889 -10.360 1.00 0.00 H new ATOM 0 HA TYR A 19 1.976 -3.868 -9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.784 -0.909 -10.125 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.483 -1.826 -9.391 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.856 -2.858 -7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.516 0.067 -8.785 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.680 -2.281 -4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.362 0.631 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 19 4.249 0.199 -4.336 1.00 0.00 H new ATOM 288 N CYS A 20 2.009 -3.369 -12.528 1.00 0.00 N ATOM 289 CA CYS A 20 1.432 -3.854 -13.788 1.00 0.00 C ATOM 290 C CYS A 20 1.416 -5.396 -13.882 1.00 0.00 C ATOM 291 O CYS A 20 0.579 -5.977 -14.578 1.00 0.00 O ATOM 292 CB CYS A 20 2.223 -3.238 -14.948 1.00 0.00 C ATOM 293 SG CYS A 20 1.422 -3.392 -16.568 1.00 0.00 S ATOM 0 H CYS A 20 2.950 -2.989 -12.630 1.00 0.00 H new ATOM 0 HA CYS A 20 0.388 -3.545 -13.835 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.389 -2.181 -14.738 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.204 -3.712 -14.995 1.00 0.00 H new ATOM 298 N ASN A 21 2.323 -6.074 -13.166 1.00 0.00 N ATOM 299 CA ASN A 21 2.441 -7.535 -13.136 1.00 0.00 C ATOM 300 C ASN A 21 1.238 -8.207 -12.440 1.00 0.00 C ATOM 301 O ASN A 21 0.887 -7.878 -11.297 1.00 0.00 O ATOM 302 CB ASN A 21 3.785 -7.903 -12.478 1.00 0.00 C ATOM 303 CG ASN A 21 4.048 -9.400 -12.519 1.00 0.00 C ATOM 304 OD1 ASN A 21 3.731 -10.138 -11.598 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.600 -9.904 -13.601 1.00 0.00 N ATOM 0 H ASN A 21 3.012 -5.607 -12.577 1.00 0.00 H new ATOM 0 HA ASN A 21 2.426 -7.919 -14.156 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.594 -7.379 -12.987 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.787 -7.563 -11.442 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.763 -10.909 -13.670 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.866 -9.290 -14.371 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 8.849 11.768 -17.143 1.00 0.00 N ATOM 314 CA PHE B 1 8.353 11.517 -15.789 1.00 0.00 C ATOM 315 C PHE B 1 9.042 12.410 -14.740 1.00 0.00 C ATOM 316 O PHE B 1 10.244 12.679 -14.829 1.00 0.00 O ATOM 317 CB PHE B 1 8.546 10.030 -15.449 1.00 0.00 C ATOM 318 CG PHE B 1 7.893 9.584 -14.152 1.00 0.00 C ATOM 319 CD1 PHE B 1 8.595 9.681 -12.933 1.00 0.00 C ATOM 320 CD2 PHE B 1 6.590 9.049 -14.162 1.00 0.00 C ATOM 321 CE1 PHE B 1 7.992 9.257 -11.736 1.00 0.00 C ATOM 322 CE2 PHE B 1 5.995 8.610 -12.966 1.00 0.00 C ATOM 323 CZ PHE B 1 6.692 8.722 -11.749 1.00 0.00 C ATOM 0 H1 PHE B 1 8.357 11.145 -17.814 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.672 12.760 -17.399 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.871 11.578 -17.179 1.00 0.00 H new ATOM 0 HA PHE B 1 7.293 11.768 -15.762 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.146 9.430 -16.266 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.614 9.820 -15.393 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.598 10.082 -12.919 1.00 0.00 H new ATOM 0 HD2 PHE B 1 6.046 8.976 -15.092 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.529 9.343 -10.803 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.002 8.186 -12.982 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.230 8.398 -10.828 1.00 0.00 H new ATOM 333 N VAL B 2 8.289 12.817 -13.713 1.00 0.00 N ATOM 334 CA VAL B 2 8.787 13.458 -12.482 1.00 0.00 C ATOM 335 C VAL B 2 8.064 12.828 -11.287 1.00 0.00 C ATOM 336 O VAL B 2 6.838 12.697 -11.308 1.00 0.00 O ATOM 337 CB VAL B 2 8.573 14.990 -12.500 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.159 15.654 -11.247 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.231 15.659 -13.716 1.00 0.00 C ATOM 0 H VAL B 2 7.275 12.707 -13.712 1.00 0.00 H new ATOM 0 HA VAL B 2 9.862 13.294 -12.407 1.00 0.00 H new ATOM 0 HB VAL B 2 7.493 15.129 -12.542 1.00 0.00 H new ATOM 0 HG11 VAL B 2 8.991 16.730 -11.293 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.673 15.248 -10.359 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.230 15.456 -11.197 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.052 16.734 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.304 15.470 -13.699 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.805 15.249 -14.632 1.00 0.00 H new ATOM 349 N ASN B 3 8.805 12.431 -10.246 1.00 0.00 N ATOM 350 CA ASN B 3 8.217 11.816 -9.051 1.00 0.00 C ATOM 351 C ASN B 3 7.242 12.732 -8.303 1.00 0.00 C ATOM 352 O ASN B 3 7.416 13.950 -8.217 1.00 0.00 O ATOM 353 CB ASN B 3 9.279 11.294 -8.075 1.00 0.00 C ATOM 354 CG ASN B 3 10.345 12.322 -7.715 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.338 12.481 -8.410 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.176 13.062 -6.643 1.00 0.00 N ATOM 0 H ASN B 3 9.820 12.526 -10.208 1.00 0.00 H new ATOM 0 HA ASN B 3 7.647 10.971 -9.438 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.786 10.961 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.763 10.421 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.872 13.765 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.349 12.933 -6.060 1.00 0.00 H new ATOM 363 N GLN B 4 6.235 12.090 -7.719 1.00 0.00 N ATOM 364 CA GLN B 4 5.173 12.668 -6.916 1.00 0.00 C ATOM 365 C GLN B 4 4.415 11.529 -6.213 1.00 0.00 C ATOM 366 O GLN B 4 4.635 10.339 -6.451 1.00 0.00 O ATOM 367 CB GLN B 4 4.240 13.525 -7.808 1.00 0.00 C ATOM 368 CG GLN B 4 3.654 12.802 -9.036 1.00 0.00 C ATOM 369 CD GLN B 4 2.824 13.716 -9.940 1.00 0.00 C ATOM 370 OE1 GLN B 4 2.428 14.824 -9.595 1.00 0.00 O ATOM 371 NE2 GLN B 4 2.521 13.288 -11.148 1.00 0.00 N ATOM 0 H GLN B 4 6.137 11.078 -7.803 1.00 0.00 H new ATOM 0 HA GLN B 4 5.584 13.331 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.416 13.892 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.795 14.398 -8.152 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.469 12.371 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN B 4 3.031 11.974 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN B 4 2.839 12.370 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN B 4 1.969 13.875 -11.773 1.00 0.00 H new ATOM 380 N HIS B 5 3.504 11.919 -5.341 1.00 0.00 N ATOM 381 CA HIS B 5 2.390 11.096 -4.858 1.00 0.00 C ATOM 382 C HIS B 5 1.321 10.971 -5.963 1.00 0.00 C ATOM 383 O HIS B 5 0.952 11.975 -6.577 1.00 0.00 O ATOM 384 CB HIS B 5 1.780 11.733 -3.596 1.00 0.00 C ATOM 385 CG HIS B 5 2.754 12.122 -2.501 1.00 0.00 C ATOM 386 ND1 HIS B 5 2.806 11.565 -1.219 1.00 0.00 N ATOM 387 CD2 HIS B 5 3.657 13.145 -2.566 1.00 0.00 C ATOM 388 CE1 HIS B 5 3.742 12.259 -0.549 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.263 13.218 -1.332 1.00 0.00 N ATOM 0 H HIS B 5 3.512 12.852 -4.929 1.00 0.00 H new ATOM 0 HA HIS B 5 2.757 10.101 -4.606 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.228 12.624 -3.895 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.055 11.035 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.857 13.775 -3.420 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.034 12.072 0.474 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.984 13.886 -1.059 1.00 0.00 H new ATOM 397 N LEU B 6 0.806 9.763 -6.212 1.00 0.00 N ATOM 398 CA LEU B 6 -0.287 9.469 -7.145 1.00 0.00 C ATOM 399 C LEU B 6 -1.480 8.845 -6.402 1.00 0.00 C ATOM 400 O LEU B 6 -1.298 8.014 -5.515 1.00 0.00 O ATOM 401 CB LEU B 6 0.192 8.493 -8.233 1.00 0.00 C ATOM 402 CG LEU B 6 1.140 8.979 -9.335 1.00 0.00 C ATOM 403 CD1 LEU B 6 0.686 10.283 -9.988 1.00 0.00 C ATOM 404 CD2 LEU B 6 2.595 9.087 -8.884 1.00 0.00 C ATOM 0 H LEU B 6 1.156 8.925 -5.747 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.600 10.406 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.681 7.660 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.696 8.092 -8.722 1.00 0.00 H new ATOM 0 HG LEU B 6 1.092 8.196 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.400 10.572 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.296 10.142 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.630 11.067 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.208 9.436 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.668 9.793 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.949 8.109 -8.558 1.00 0.00 H new ATOM 416 N CYS B 7 -2.707 9.192 -6.794 1.00 0.00 N ATOM 417 CA CYS B 7 -3.928 8.714 -6.127 1.00 0.00 C ATOM 418 C CYS B 7 -5.107 8.524 -7.101 1.00 0.00 C ATOM 419 O CYS B 7 -5.132 9.125 -8.179 1.00 0.00 O ATOM 420 CB CYS B 7 -4.286 9.694 -4.998 1.00 0.00 C ATOM 421 SG CYS B 7 -4.975 8.920 -3.509 1.00 0.00 S ATOM 0 H CYS B 7 -2.887 9.813 -7.583 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.730 7.725 -5.713 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.390 10.249 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.005 10.419 -5.380 1.00 0.00 H new ATOM 426 N GLY B 8 -6.090 7.699 -6.724 1.00 0.00 N ATOM 427 CA GLY B 8 -7.328 7.480 -7.486 1.00 0.00 C ATOM 428 C GLY B 8 -7.091 7.061 -8.942 1.00 0.00 C ATOM 429 O GLY B 8 -6.207 6.254 -9.239 1.00 0.00 O ATOM 0 H GLY B 8 -6.048 7.153 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -7.919 6.712 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.919 8.396 -7.473 1.00 0.00 H new ATOM 433 N SER B 9 -7.851 7.646 -9.869 1.00 0.00 N ATOM 434 CA SER B 9 -7.721 7.394 -11.314 1.00 0.00 C ATOM 435 C SER B 9 -6.332 7.750 -11.865 1.00 0.00 C ATOM 436 O SER B 9 -5.837 7.065 -12.758 1.00 0.00 O ATOM 437 CB SER B 9 -8.780 8.187 -12.090 1.00 0.00 C ATOM 438 OG SER B 9 -10.082 7.892 -11.602 1.00 0.00 O ATOM 0 H SER B 9 -8.584 8.317 -9.640 1.00 0.00 H new ATOM 0 HA SER B 9 -7.867 6.322 -11.450 1.00 0.00 H new ATOM 0 HB2 SER B 9 -8.584 9.255 -11.996 1.00 0.00 H new ATOM 0 HB3 SER B 9 -8.719 7.944 -13.151 1.00 0.00 H new ATOM 0 HG SER B 9 -10.745 8.408 -12.107 1.00 0.00 H new ATOM 444 N HIS B 10 -5.656 8.762 -11.302 1.00 0.00 N ATOM 445 CA HIS B 10 -4.309 9.168 -11.737 1.00 0.00 C ATOM 446 C HIS B 10 -3.248 8.112 -11.402 1.00 0.00 C ATOM 447 O HIS B 10 -2.300 7.944 -12.166 1.00 0.00 O ATOM 448 CB HIS B 10 -3.933 10.534 -11.140 1.00 0.00 C ATOM 449 CG HIS B 10 -4.633 11.698 -11.802 1.00 0.00 C ATOM 450 ND1 HIS B 10 -4.014 12.670 -12.595 1.00 0.00 N ATOM 451 CD2 HIS B 10 -5.968 11.973 -11.734 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.991 13.507 -12.986 1.00 0.00 C ATOM 453 NE2 HIS B 10 -6.174 13.112 -12.483 1.00 0.00 N ATOM 0 H HIS B 10 -6.026 9.322 -10.534 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.335 9.259 -12.823 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.172 10.534 -10.077 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -2.855 10.674 -11.224 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -6.717 11.409 -11.198 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -4.846 14.373 -13.615 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -7.070 13.576 -12.630 1.00 0.00 H new ATOM 461 N LEU B 11 -3.423 7.352 -10.316 1.00 0.00 N ATOM 462 CA LEU B 11 -2.559 6.220 -9.959 1.00 0.00 C ATOM 463 C LEU B 11 -2.725 5.042 -10.933 1.00 0.00 C ATOM 464 O LEU B 11 -1.734 4.453 -11.369 1.00 0.00 O ATOM 465 CB LEU B 11 -2.870 5.831 -8.502 1.00 0.00 C ATOM 466 CG LEU B 11 -2.039 4.683 -7.907 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.545 4.996 -7.873 1.00 0.00 C ATOM 468 CD2 LEU B 11 -2.496 4.456 -6.465 1.00 0.00 C ATOM 0 H LEU B 11 -4.180 7.508 -9.650 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.511 6.509 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.731 6.713 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.923 5.558 -8.439 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.191 3.807 -8.537 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.006 4.152 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.188 5.177 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.373 5.884 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.918 3.644 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.342 5.367 -5.887 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.554 4.195 -6.456 1.00 0.00 H new ATOM 480 N VAL B 12 -3.968 4.744 -11.326 1.00 0.00 N ATOM 481 CA VAL B 12 -4.288 3.708 -12.325 1.00 0.00 C ATOM 482 C VAL B 12 -3.764 4.101 -13.712 1.00 0.00 C ATOM 483 O VAL B 12 -3.185 3.270 -14.410 1.00 0.00 O ATOM 484 CB VAL B 12 -5.805 3.425 -12.361 1.00 0.00 C ATOM 485 CG1 VAL B 12 -6.166 2.332 -13.375 1.00 0.00 C ATOM 486 CG2 VAL B 12 -6.314 2.959 -10.989 1.00 0.00 C ATOM 0 H VAL B 12 -4.792 5.218 -10.958 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.785 2.788 -12.028 1.00 0.00 H new ATOM 0 HB VAL B 12 -6.275 4.365 -12.650 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -7.243 2.168 -13.365 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.856 2.644 -14.372 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.655 1.406 -13.110 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.386 2.767 -11.044 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.796 2.044 -10.700 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.122 3.734 -10.247 1.00 0.00 H new ATOM 496 N GLU B 13 -3.888 5.372 -14.103 1.00 0.00 N ATOM 497 CA GLU B 13 -3.338 5.880 -15.365 1.00 0.00 C ATOM 498 C GLU B 13 -1.802 5.889 -15.368 1.00 0.00 C ATOM 499 O GLU B 13 -1.200 5.462 -16.350 1.00 0.00 O ATOM 500 CB GLU B 13 -3.892 7.281 -15.670 1.00 0.00 C ATOM 501 CG GLU B 13 -5.350 7.229 -16.149 1.00 0.00 C ATOM 502 CD GLU B 13 -5.894 8.643 -16.437 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.614 9.193 -17.530 1.00 0.00 O ATOM 504 OE2 GLU B 13 -6.621 9.209 -15.585 1.00 0.00 O1- ATOM 0 H GLU B 13 -4.374 6.080 -13.553 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.654 5.197 -16.154 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.826 7.900 -14.775 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.276 7.757 -16.433 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.418 6.620 -17.050 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.967 6.746 -15.391 1.00 0.00 H new ATOM 511 N ALA B 14 -1.146 6.304 -14.279 1.00 0.00 N ATOM 512 CA ALA B 14 0.315 6.390 -14.214 1.00 0.00 C ATOM 513 C ALA B 14 1.010 5.023 -14.370 1.00 0.00 C ATOM 514 O ALA B 14 2.030 4.931 -15.059 1.00 0.00 O ATOM 515 CB ALA B 14 0.709 7.077 -12.901 1.00 0.00 C ATOM 0 H ALA B 14 -1.614 6.589 -13.419 1.00 0.00 H new ATOM 0 HA ALA B 14 0.660 6.983 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.795 7.148 -12.839 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.278 8.078 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.335 6.495 -12.059 1.00 0.00 H new ATOM 521 N LEU B 15 0.446 3.948 -13.799 1.00 0.00 N ATOM 522 CA LEU B 15 1.011 2.597 -13.936 1.00 0.00 C ATOM 523 C LEU B 15 0.707 1.986 -15.313 1.00 0.00 C ATOM 524 O LEU B 15 1.543 1.284 -15.878 1.00 0.00 O ATOM 525 CB LEU B 15 0.613 1.706 -12.743 1.00 0.00 C ATOM 526 CG LEU B 15 -0.844 1.198 -12.704 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.049 -0.101 -13.495 1.00 0.00 C ATOM 528 CD2 LEU B 15 -1.264 0.904 -11.265 1.00 0.00 C ATOM 0 H LEU B 15 -0.404 3.989 -13.236 1.00 0.00 H new ATOM 0 HA LEU B 15 2.098 2.671 -13.899 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.274 0.840 -12.732 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.802 2.264 -11.826 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.442 1.991 -13.152 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.093 -0.406 -13.429 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.784 0.063 -14.540 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.415 -0.884 -13.079 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.294 0.547 -11.252 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.610 0.141 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.189 1.815 -10.671 1.00 0.00 H new ATOM 540 N TYR B 16 -0.451 2.306 -15.897 1.00 0.00 N ATOM 541 CA TYR B 16 -0.798 1.936 -17.272 1.00 0.00 C ATOM 542 C TYR B 16 0.137 2.619 -18.288 1.00 0.00 C ATOM 543 O TYR B 16 0.614 1.973 -19.222 1.00 0.00 O ATOM 544 CB TYR B 16 -2.280 2.278 -17.507 1.00 0.00 C ATOM 545 CG TYR B 16 -2.648 2.622 -18.936 1.00 0.00 C ATOM 546 CD1 TYR B 16 -2.867 1.607 -19.886 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.739 3.975 -19.311 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.174 1.946 -21.219 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.042 4.319 -20.643 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.260 3.304 -21.601 1.00 0.00 C ATOM 551 OH TYR B 16 -3.554 3.643 -22.887 1.00 0.00 O ATOM 0 H TYR B 16 -1.183 2.835 -15.423 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.659 0.865 -17.419 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.886 1.430 -17.187 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.547 3.120 -16.868 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.800 0.569 -19.594 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.576 4.750 -18.577 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.344 1.168 -21.949 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.108 5.358 -20.931 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.574 4.619 -22.972 1.00 0.00 H new ATOM 561 N LEU B 17 0.464 3.897 -18.073 1.00 0.00 N ATOM 562 CA LEU B 17 1.310 4.696 -18.967 1.00 0.00 C ATOM 563 C LEU B 17 2.770 4.232 -18.949 1.00 0.00 C ATOM 564 O LEU B 17 3.382 4.093 -20.011 1.00 0.00 O ATOM 565 CB LEU B 17 1.226 6.179 -18.563 1.00 0.00 C ATOM 566 CG LEU B 17 -0.047 6.906 -19.036 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.139 8.276 -18.360 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.066 7.123 -20.552 1.00 0.00 C ATOM 0 H LEU B 17 0.142 4.416 -17.256 1.00 0.00 H new ATOM 0 HA LEU B 17 0.940 4.562 -19.983 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.285 6.249 -17.477 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.095 6.700 -18.964 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.892 6.273 -18.766 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.041 8.788 -18.697 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.178 8.146 -17.278 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.736 8.871 -18.623 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -0.984 7.639 -20.834 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.794 7.726 -20.844 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.022 6.159 -21.058 1.00 0.00 H new ATOM 580 N VAL B 18 3.326 3.960 -17.763 1.00 0.00 N ATOM 581 CA VAL B 18 4.716 3.490 -17.629 1.00 0.00 C ATOM 582 C VAL B 18 4.881 2.043 -18.112 1.00 0.00 C ATOM 583 O VAL B 18 5.913 1.694 -18.688 1.00 0.00 O ATOM 584 CB VAL B 18 5.210 3.697 -16.186 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.642 2.693 -15.186 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.732 3.627 -16.101 1.00 0.00 C ATOM 0 H VAL B 18 2.834 4.057 -16.875 1.00 0.00 H new ATOM 0 HA VAL B 18 5.348 4.091 -18.282 1.00 0.00 H new ATOM 0 HB VAL B 18 4.849 4.690 -15.917 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.037 2.905 -14.193 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.555 2.772 -15.168 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.927 1.684 -15.482 1.00 0.00 H new ATOM 0 HG21 VAL B 18 7.046 3.777 -15.068 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.071 2.650 -16.445 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.168 4.404 -16.729 1.00 0.00 H new ATOM 596 N CYS B 19 3.845 1.212 -17.952 1.00 0.00 N ATOM 597 CA CYS B 19 3.838 -0.168 -18.446 1.00 0.00 C ATOM 598 C CYS B 19 3.610 -0.241 -19.964 1.00 0.00 C ATOM 599 O CYS B 19 4.130 -1.133 -20.636 1.00 0.00 O ATOM 600 CB CYS B 19 2.765 -0.942 -17.680 1.00 0.00 C ATOM 601 SG CYS B 19 2.840 -2.738 -17.869 1.00 0.00 S ATOM 0 H CYS B 19 2.985 1.480 -17.474 1.00 0.00 H new ATOM 0 HA CYS B 19 4.816 -0.617 -18.273 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.849 -0.699 -16.621 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.785 -0.597 -18.009 1.00 0.00 H new ATOM 606 N GLY B 20 2.855 0.710 -20.521 1.00 0.00 N ATOM 607 CA GLY B 20 2.573 0.851 -21.953 1.00 0.00 C ATOM 608 C GLY B 20 1.599 -0.187 -22.530 1.00 0.00 C ATOM 609 O GLY B 20 1.367 -0.198 -23.739 1.00 0.00 O ATOM 0 H GLY B 20 2.404 1.434 -19.962 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.166 1.846 -22.131 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.513 0.788 -22.501 1.00 0.00 H new ATOM 613 N GLU B 21 1.040 -1.062 -21.684 1.00 0.00 N ATOM 614 CA GLU B 21 0.062 -2.106 -22.036 1.00 0.00 C ATOM 615 C GLU B 21 0.491 -3.009 -23.223 1.00 0.00 C ATOM 616 O GLU B 21 -0.309 -3.330 -24.108 1.00 0.00 O ATOM 617 CB GLU B 21 -1.337 -1.466 -22.190 1.00 0.00 C ATOM 618 CG GLU B 21 -2.511 -2.431 -21.956 1.00 0.00 C ATOM 619 CD GLU B 21 -2.818 -2.623 -20.457 1.00 0.00 C ATOM 620 OE1 GLU B 21 -2.038 -3.306 -19.753 1.00 0.00 O ATOM 621 OE2 GLU B 21 -3.852 -2.099 -19.975 1.00 0.00 O1- ATOM 0 H GLU B 21 1.266 -1.064 -20.689 1.00 0.00 H new ATOM 0 HA GLU B 21 0.015 -2.818 -21.212 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.421 -0.635 -21.489 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.422 -1.047 -23.193 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.399 -2.050 -22.461 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.280 -3.397 -22.404 1.00 0.00 H new ATOM 628 N ARG B 22 1.770 -3.425 -23.270 1.00 0.00 N ATOM 629 CA ARG B 22 2.323 -4.271 -24.350 1.00 0.00 C ATOM 630 C ARG B 22 1.762 -5.705 -24.395 1.00 0.00 C ATOM 631 O ARG B 22 1.884 -6.369 -25.426 1.00 0.00 O ATOM 632 CB ARG B 22 3.861 -4.317 -24.259 1.00 0.00 C ATOM 633 CG ARG B 22 4.575 -3.040 -24.698 1.00 0.00 C ATOM 634 CD ARG B 22 4.808 -2.018 -23.586 1.00 0.00 C ATOM 635 NE ARG B 22 5.756 -1.006 -24.073 1.00 0.00 N ATOM 636 CZ ARG B 22 6.419 -0.104 -23.371 1.00 0.00 C ATOM 637 NH1 ARG B 22 6.260 0.023 -22.086 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 7.264 0.696 -23.954 1.00 0.00 N ATOM 0 H ARG B 22 2.456 -3.183 -22.555 1.00 0.00 H new ATOM 0 HA ARG B 22 2.006 -3.796 -25.278 1.00 0.00 H new ATOM 0 HB2 ARG B 22 4.142 -4.536 -23.229 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.221 -5.144 -24.870 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.538 -3.310 -25.131 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.991 -2.568 -25.489 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.867 -1.549 -23.300 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.202 -2.509 -22.697 1.00 0.00 H new ATOM 0 HE ARG B 22 5.923 -0.999 -25.079 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.608 -0.584 -21.590 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.788 0.730 -21.574 1.00 0.00 H new ATOM 0 HH21 ARG B 22 7.418 0.629 -24.960 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.772 1.390 -23.405 1.00 0.00 H new ATOM 652 N GLY B 23 1.160 -6.191 -23.307 1.00 0.00 N ATOM 653 CA GLY B 23 0.622 -7.552 -23.191 1.00 0.00 C ATOM 654 C GLY B 23 -0.135 -7.805 -21.881 1.00 0.00 C ATOM 655 O GLY B 23 -0.422 -6.874 -21.123 1.00 0.00 O ATOM 0 H GLY B 23 1.029 -5.637 -22.461 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.048 -7.741 -24.030 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.442 -8.266 -23.270 1.00 0.00 H new HETATM 659 N DHI B 24 -0.458 -9.075 -21.614 1.00 0.00 N HETATM 660 CA DHI B 24 -1.153 -9.520 -20.389 1.00 0.00 C HETATM 661 C DHI B 24 -2.687 -9.558 -20.521 1.00 0.00 C HETATM 662 O DHI B 24 -3.392 -9.623 -19.512 1.00 0.00 O HETATM 663 CB DHI B 24 -0.604 -10.890 -19.962 1.00 0.00 C HETATM 664 CG DHI B 24 0.865 -10.863 -19.614 1.00 0.00 C HETATM 665 ND1 DHI B 24 1.406 -10.419 -18.403 1.00 0.00 N HETATM 666 CD2 DHI B 24 1.884 -11.248 -20.436 1.00 0.00 C HETATM 667 CE1 DHI B 24 2.739 -10.550 -18.525 1.00 0.00 C HETATM 668 NE2 DHI B 24 3.053 -11.045 -19.735 1.00 0.00 N HETATM 0 HE2 DHI B 24 3.995 -11.237 -20.076 1.00 0.00 H new HETATM 0 HE1 DHI B 24 3.463 -10.291 -17.752 1.00 0.00 H new HETATM 0 HD2 DHI B 24 1.791 -11.640 -21.449 1.00 0.00 H new HETATM 0 HD1 DHI B 24 0.894 -10.068 -17.593 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -1.168 -11.247 -19.100 1.00 0.00 H new HETATM 0 HB2 DHI B 24 -0.766 -11.606 -20.768 1.00 0.00 H new HETATM 0 HA DHI B 24 -0.950 -8.776 -19.619 1.00 0.00 H new ATOM 676 N PHE B 25 -3.212 -9.506 -21.749 1.00 0.00 N ATOM 677 CA PHE B 25 -4.650 -9.527 -22.048 1.00 0.00 C ATOM 678 C PHE B 25 -5.303 -10.894 -21.768 1.00 0.00 C ATOM 679 O PHE B 25 -4.652 -11.943 -21.843 1.00 0.00 O ATOM 680 CB PHE B 25 -4.872 -9.109 -23.511 1.00 0.00 C ATOM 681 CG PHE B 25 -4.267 -7.766 -23.884 1.00 0.00 C ATOM 682 CD1 PHE B 25 -4.868 -6.575 -23.433 1.00 0.00 C ATOM 683 CD2 PHE B 25 -3.103 -7.704 -24.676 1.00 0.00 C ATOM 684 CE1 PHE B 25 -4.310 -5.330 -23.774 1.00 0.00 C ATOM 685 CE2 PHE B 25 -2.544 -6.458 -25.015 1.00 0.00 C ATOM 686 CZ PHE B 25 -3.149 -5.271 -24.565 1.00 0.00 C ATOM 0 H PHE B 25 -2.633 -9.446 -22.587 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.135 -8.817 -21.379 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -4.451 -9.875 -24.162 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.944 -9.077 -23.707 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.759 -6.618 -22.824 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.639 -8.615 -25.024 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.774 -4.418 -23.428 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.651 -6.413 -25.620 1.00 0.00 H new ATOM 0 HZ PHE B 25 -2.722 -4.314 -24.827 1.00 0.00 H new ATOM 696 N TYR B 26 -6.608 -10.888 -21.479 1.00 0.00 N ATOM 697 CA TYR B 26 -7.410 -12.098 -21.248 1.00 0.00 C ATOM 698 C TYR B 26 -7.744 -12.846 -22.555 1.00 0.00 C ATOM 699 O TYR B 26 -7.749 -12.263 -23.643 1.00 0.00 O ATOM 700 CB TYR B 26 -8.686 -11.731 -20.474 1.00 0.00 C ATOM 701 CG TYR B 26 -8.441 -11.009 -19.160 1.00 0.00 C ATOM 702 CD1 TYR B 26 -7.928 -11.718 -18.054 1.00 0.00 C ATOM 703 CD2 TYR B 26 -8.715 -9.631 -19.043 1.00 0.00 C ATOM 704 CE1 TYR B 26 -7.688 -11.051 -16.837 1.00 0.00 C ATOM 705 CE2 TYR B 26 -8.476 -8.961 -17.828 1.00 0.00 C ATOM 706 CZ TYR B 26 -7.960 -9.671 -16.720 1.00 0.00 C ATOM 707 OH TYR B 26 -7.727 -9.035 -15.538 1.00 0.00 O ATOM 0 H TYR B 26 -7.149 -10.027 -21.397 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.812 -12.786 -20.651 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -9.312 -11.103 -21.108 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -9.249 -12.643 -20.273 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.719 -12.774 -18.140 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.110 -9.087 -19.889 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.295 -11.596 -15.992 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.687 -7.905 -17.743 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.965 -8.088 -15.623 1.00 0.00 H new ATOM 717 N THR B 27 -8.047 -14.143 -22.446 1.00 0.00 N ATOM 718 CA THR B 27 -8.329 -15.039 -23.589 1.00 0.00 C ATOM 719 C THR B 27 -9.605 -14.696 -24.391 1.00 0.00 C ATOM 720 O THR B 27 -9.552 -14.785 -25.623 1.00 0.00 O ATOM 721 CB THR B 27 -8.367 -16.514 -23.136 1.00 0.00 C ATOM 722 OG1 THR B 27 -7.303 -16.781 -22.242 1.00 0.00 O ATOM 723 CG2 THR B 27 -8.226 -17.497 -24.300 1.00 0.00 C ATOM 0 H THR B 27 -8.106 -14.617 -21.545 1.00 0.00 H new ATOM 0 HA THR B 27 -7.499 -14.878 -24.277 1.00 0.00 H new ATOM 0 HB THR B 27 -9.339 -16.653 -22.663 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.339 -17.719 -21.961 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.260 -18.518 -23.920 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.043 -17.345 -25.006 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.275 -17.329 -24.805 1.00 0.00 H new ATOM 731 N PRO B 28 -10.743 -14.298 -23.775 1.00 0.00 N ATOM 732 CA PRO B 28 -11.983 -13.994 -24.501 1.00 0.00 C ATOM 733 C PRO B 28 -11.881 -12.784 -25.447 1.00 0.00 C ATOM 734 O PRO B 28 -11.121 -11.841 -25.200 1.00 0.00 O ATOM 735 CB PRO B 28 -13.061 -13.777 -23.432 1.00 0.00 C ATOM 736 CG PRO B 28 -12.526 -14.549 -22.228 1.00 0.00 C ATOM 737 CD PRO B 28 -11.024 -14.315 -22.346 1.00 0.00 C ATOM 0 HA PRO B 28 -12.222 -14.824 -25.166 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -13.194 -12.719 -23.204 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -14.030 -14.158 -23.755 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -12.926 -14.168 -21.288 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -12.779 -15.608 -22.277 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -10.736 -13.374 -21.878 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.463 -15.104 -21.845 1.00 0.00 H new ATOM 745 N LYS B 29 -12.689 -12.796 -26.516 1.00 0.00 N ATOM 746 CA LYS B 29 -12.786 -11.737 -27.537 1.00 0.00 C ATOM 747 C LYS B 29 -14.236 -11.564 -28.020 1.00 0.00 C ATOM 748 O LYS B 29 -14.971 -12.552 -28.138 1.00 0.00 O ATOM 749 CB LYS B 29 -11.824 -12.078 -28.693 1.00 0.00 C ATOM 750 CG LYS B 29 -11.711 -10.962 -29.746 1.00 0.00 C ATOM 751 CD LYS B 29 -10.656 -11.314 -30.807 1.00 0.00 C ATOM 752 CE LYS B 29 -10.583 -10.275 -31.937 1.00 0.00 C ATOM 753 NZ LYS B 29 -10.036 -8.969 -31.479 1.00 0.00 N1+ ATOM 0 H LYS B 29 -13.320 -13.575 -26.703 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.493 -10.779 -27.107 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -10.835 -12.282 -28.284 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.163 -12.993 -29.179 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.678 -10.810 -30.225 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.445 -10.023 -29.260 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.679 -11.395 -30.330 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.885 -12.291 -31.232 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.960 -10.663 -32.743 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.580 -10.122 -32.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.008 -8.305 -32.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.643 -8.582 -30.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.074 -9.106 -31.109 1.00 0.00 H new ATOM 767 N THR B 30 -14.623 -10.319 -28.318 1.00 0.00 N ATOM 768 CA THR B 30 -15.977 -9.906 -28.755 1.00 0.00 C ATOM 769 C THR B 30 -15.901 -8.972 -29.965 1.00 0.00 C ATOM 770 O THR B 30 -15.210 -7.930 -29.880 1.00 0.00 O ATOM 771 CB THR B 30 -16.746 -9.233 -27.608 1.00 0.00 C ATOM 772 OG1 THR B 30 -16.751 -10.085 -26.478 1.00 0.00 O ATOM 773 CG2 THR B 30 -18.206 -8.947 -27.972 1.00 0.00 C ATOM 774 OXT THR B 30 -16.508 -9.300 -31.009 1.00 0.00 O1- ATOM 0 H THR B 30 -13.978 -9.531 -28.261 1.00 0.00 H new ATOM 0 HA THR B 30 -16.518 -10.806 -29.048 1.00 0.00 H new ATOM 0 HB THR B 30 -16.241 -8.289 -27.402 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.240 -9.655 -25.746 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.705 -8.471 -27.128 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.242 -8.283 -28.836 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.711 -9.883 -28.212 1.00 0.00 H new TER 782 THR B 30