USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 375 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 5 GLN : amide:sc= 0.154 X(o=-2,f=-2.2) USER MOD Set 1.2: A 12 SER OG : rot -170:sc= 0.243 USER MOD Set 1.3: A 15 GLN : amide:sc= -2.37! C(o=-2!,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0916 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 85:sc= 1.02 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.094) USER MOD Single : A 19 TYR OH : rot 120:sc= -0.412 USER MOD Single : A 21 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.91) USER MOD Single : B 1 PHE N :NH3+ -112:sc= 0.0879 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.66) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.4) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0.523 K(o=0.52,f=-5.3!) USER MOD Single : B 16 TYR OH : rot -97:sc= 0.355 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+ -176:sc= 0 (180deg=-0.00921) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.906 -6.705 -9.238 1.00 0.00 N ATOM 2 CA GLY A 1 -10.967 -7.260 -8.220 1.00 0.00 C ATOM 3 C GLY A 1 -10.882 -6.346 -6.990 1.00 0.00 C ATOM 4 O GLY A 1 -11.636 -5.400 -6.862 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.657 -7.398 -9.432 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.330 -5.827 -8.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.386 -6.503 -10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.300 -8.253 -7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.976 -7.376 -8.660 1.00 0.00 H new ATOM 10 N ILE A 2 -9.955 -6.668 -6.123 1.00 0.00 N ATOM 11 CA ILE A 2 -9.738 -5.878 -4.865 1.00 0.00 C ATOM 12 C ILE A 2 -8.477 -5.003 -4.944 1.00 0.00 C ATOM 13 O ILE A 2 -8.152 -4.292 -4.012 1.00 0.00 O ATOM 14 CB ILE A 2 -9.614 -6.857 -3.658 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.782 -8.152 -3.969 1.00 0.00 C ATOM 16 CG2 ILE A 2 -11.017 -7.269 -3.178 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.375 -7.855 -4.518 1.00 0.00 C ATOM 0 H ILE A 2 -9.324 -7.462 -6.234 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.594 -5.216 -4.735 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.073 -6.313 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.692 -8.745 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.326 -8.760 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.927 -7.953 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -11.571 -6.382 -2.868 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -11.549 -7.763 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.854 -8.793 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.458 -7.288 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.814 -7.273 -3.786 1.00 0.00 H new ATOM 29 N VAL A 3 -7.817 -5.093 -6.069 1.00 0.00 N ATOM 30 CA VAL A 3 -6.567 -4.314 -6.327 1.00 0.00 C ATOM 31 C VAL A 3 -6.951 -3.220 -7.315 1.00 0.00 C ATOM 32 O VAL A 3 -6.479 -2.101 -7.249 1.00 0.00 O ATOM 33 CB VAL A 3 -5.504 -5.270 -6.918 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.758 -5.656 -8.398 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.101 -4.653 -6.750 1.00 0.00 C ATOM 0 H VAL A 3 -8.101 -5.693 -6.844 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.145 -3.871 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.575 -6.202 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.970 -6.328 -8.739 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.723 -6.156 -8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.760 -4.756 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.354 -5.328 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.059 -3.698 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.897 -4.496 -5.691 1.00 0.00 H new ATOM 45 N GLU A 4 -7.819 -3.630 -8.203 1.00 0.00 N ATOM 46 CA GLU A 4 -8.337 -2.718 -9.265 1.00 0.00 C ATOM 47 C GLU A 4 -9.595 -2.025 -8.708 1.00 0.00 C ATOM 48 O GLU A 4 -10.624 -1.916 -9.345 1.00 0.00 O ATOM 49 CB GLU A 4 -8.659 -3.569 -10.516 1.00 0.00 C ATOM 50 CG GLU A 4 -8.961 -2.634 -11.728 1.00 0.00 C ATOM 51 CD GLU A 4 -9.217 -3.408 -13.043 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.156 -4.629 -13.040 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.467 -2.704 -14.009 1.00 0.00 O ATOM 0 H GLU A 4 -8.197 -4.577 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.611 -1.956 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.818 -4.222 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.517 -4.212 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.833 -2.022 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.122 -1.953 -11.872 1.00 0.00 H new ATOM 60 N GLN A 5 -9.444 -1.591 -7.484 1.00 0.00 N ATOM 61 CA GLN A 5 -10.517 -0.873 -6.742 1.00 0.00 C ATOM 62 C GLN A 5 -9.889 0.523 -6.626 1.00 0.00 C ATOM 63 O GLN A 5 -10.394 1.507 -7.117 1.00 0.00 O ATOM 64 CB GLN A 5 -10.720 -1.535 -5.357 1.00 0.00 C ATOM 65 CG GLN A 5 -11.906 -0.855 -4.639 1.00 0.00 C ATOM 66 CD GLN A 5 -12.081 -1.459 -3.238 1.00 0.00 C ATOM 67 OE1 GLN A 5 -12.197 -2.657 -3.070 1.00 0.00 O ATOM 68 NE2 GLN A 5 -12.108 -0.659 -2.208 1.00 0.00 N ATOM 0 H GLN A 5 -8.584 -1.712 -6.949 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.503 -0.873 -7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.914 -2.601 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.814 -1.440 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.730 0.218 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.819 -0.988 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.011 0.348 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.226 -1.040 -1.269 1.00 0.00 H new ATOM 77 N CYS A 6 -8.770 0.509 -5.951 1.00 0.00 N ATOM 78 CA CYS A 6 -7.910 1.697 -5.665 1.00 0.00 C ATOM 79 C CYS A 6 -7.772 2.788 -6.745 1.00 0.00 C ATOM 80 O CYS A 6 -7.607 3.942 -6.404 1.00 0.00 O ATOM 81 CB CYS A 6 -6.522 1.200 -5.336 1.00 0.00 C ATOM 82 SG CYS A 6 -6.306 0.036 -3.972 1.00 0.00 S ATOM 0 H CYS A 6 -8.390 -0.351 -5.556 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.433 2.199 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.119 0.732 -6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.902 2.072 -5.125 1.00 0.00 H new ATOM 87 N CYS A 7 -7.835 2.402 -7.997 1.00 0.00 N ATOM 88 CA CYS A 7 -7.700 3.374 -9.135 1.00 0.00 C ATOM 89 C CYS A 7 -9.041 3.451 -9.844 1.00 0.00 C ATOM 90 O CYS A 7 -9.484 4.490 -10.291 1.00 0.00 O ATOM 91 CB CYS A 7 -6.619 2.860 -10.096 1.00 0.00 C ATOM 92 SG CYS A 7 -6.236 3.829 -11.576 1.00 0.00 S ATOM 0 H CYS A 7 -7.977 1.434 -8.286 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.415 4.364 -8.778 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.696 2.749 -9.526 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.914 1.863 -10.422 1.00 0.00 H new ATOM 97 N THR A 8 -9.628 2.289 -9.897 1.00 0.00 N ATOM 98 CA THR A 8 -10.951 2.072 -10.534 1.00 0.00 C ATOM 99 C THR A 8 -11.913 2.085 -9.331 1.00 0.00 C ATOM 100 O THR A 8 -12.608 1.125 -9.065 1.00 0.00 O ATOM 101 CB THR A 8 -10.834 0.722 -11.238 1.00 0.00 C ATOM 102 OG1 THR A 8 -9.793 0.887 -12.190 1.00 0.00 O ATOM 103 CG2 THR A 8 -12.047 0.379 -12.059 1.00 0.00 C ATOM 0 H THR A 8 -9.220 1.441 -9.503 1.00 0.00 H new ATOM 0 HA THR A 8 -11.291 2.794 -11.276 1.00 0.00 H new ATOM 0 HB THR A 8 -10.684 -0.050 -10.483 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.663 0.049 -12.681 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.902 -0.591 -12.534 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.924 0.340 -11.413 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.194 1.140 -12.826 1.00 0.00 H new ATOM 111 N SER A 9 -11.856 3.229 -8.676 1.00 0.00 N ATOM 112 CA SER A 9 -12.624 3.645 -7.442 1.00 0.00 C ATOM 113 C SER A 9 -11.548 3.971 -6.377 1.00 0.00 C ATOM 114 O SER A 9 -10.417 4.246 -6.735 1.00 0.00 O ATOM 115 CB SER A 9 -13.548 2.504 -6.891 1.00 0.00 C ATOM 116 OG SER A 9 -14.558 2.354 -7.880 1.00 0.00 O ATOM 0 H SER A 9 -11.233 3.973 -8.990 1.00 0.00 H new ATOM 0 HA SER A 9 -13.276 4.486 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.992 1.577 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.976 2.772 -5.925 1.00 0.00 H new ATOM 0 HG SER A 9 -14.238 1.754 -8.586 1.00 0.00 H new ATOM 122 N ILE A 10 -11.906 3.945 -5.115 1.00 0.00 N ATOM 123 CA ILE A 10 -10.925 4.246 -4.017 1.00 0.00 C ATOM 124 C ILE A 10 -10.813 3.020 -3.087 1.00 0.00 C ATOM 125 O ILE A 10 -11.732 2.232 -2.990 1.00 0.00 O ATOM 126 CB ILE A 10 -11.434 5.486 -3.217 1.00 0.00 C ATOM 127 CG1 ILE A 10 -11.613 6.740 -4.133 1.00 0.00 C ATOM 128 CG2 ILE A 10 -10.468 5.801 -2.045 1.00 0.00 C ATOM 129 CD1 ILE A 10 -10.269 7.269 -4.667 1.00 0.00 C ATOM 0 H ILE A 10 -12.848 3.725 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.942 4.464 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.416 5.238 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.260 6.485 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.115 7.529 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.834 6.668 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.416 4.942 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.475 6.015 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -10.446 8.140 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.630 7.551 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.778 6.491 -5.252 1.00 0.00 H new ATOM 141 N CYS A 11 -9.687 2.884 -2.426 1.00 0.00 N ATOM 142 CA CYS A 11 -9.480 1.728 -1.488 1.00 0.00 C ATOM 143 C CYS A 11 -8.882 2.214 -0.156 1.00 0.00 C ATOM 144 O CYS A 11 -8.721 3.400 0.064 1.00 0.00 O ATOM 145 CB CYS A 11 -8.527 0.694 -2.115 1.00 0.00 C ATOM 146 SG CYS A 11 -6.787 1.128 -2.345 1.00 0.00 S ATOM 0 H CYS A 11 -8.897 3.526 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.450 1.267 -1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.563 -0.203 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.930 0.425 -3.091 1.00 0.00 H new ATOM 151 N SER A 12 -8.572 1.263 0.688 1.00 0.00 N ATOM 152 CA SER A 12 -7.979 1.535 2.034 1.00 0.00 C ATOM 153 C SER A 12 -6.574 0.918 2.057 1.00 0.00 C ATOM 154 O SER A 12 -6.046 0.545 1.026 1.00 0.00 O ATOM 155 CB SER A 12 -8.870 0.882 3.120 1.00 0.00 C ATOM 156 OG SER A 12 -8.745 -0.523 2.912 1.00 0.00 O ATOM 0 H SER A 12 -8.711 0.272 0.491 1.00 0.00 H new ATOM 0 HA SER A 12 -7.919 2.606 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.541 1.163 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.907 1.203 3.024 1.00 0.00 H new ATOM 0 HG SER A 12 -9.404 -0.995 3.462 1.00 0.00 H new ATOM 162 N LEU A 13 -6.015 0.829 3.237 1.00 0.00 N ATOM 163 CA LEU A 13 -4.654 0.234 3.368 1.00 0.00 C ATOM 164 C LEU A 13 -4.933 -1.249 3.624 1.00 0.00 C ATOM 165 O LEU A 13 -4.407 -2.092 2.923 1.00 0.00 O ATOM 166 CB LEU A 13 -3.862 0.888 4.571 1.00 0.00 C ATOM 167 CG LEU A 13 -4.338 0.543 6.031 1.00 0.00 C ATOM 168 CD1 LEU A 13 -3.288 1.101 7.016 1.00 0.00 C ATOM 169 CD2 LEU A 13 -5.697 1.203 6.381 1.00 0.00 C ATOM 0 H LEU A 13 -6.440 1.141 4.110 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.032 0.398 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.815 0.597 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.903 1.971 4.451 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.452 -0.539 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.592 0.876 8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.321 0.641 6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.209 2.181 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.981 0.934 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.606 2.286 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.461 0.853 5.687 1.00 0.00 H new ATOM 181 N TYR A 14 -5.755 -1.499 4.620 1.00 0.00 N ATOM 182 CA TYR A 14 -6.176 -2.871 5.046 1.00 0.00 C ATOM 183 C TYR A 14 -6.133 -3.869 3.887 1.00 0.00 C ATOM 184 O TYR A 14 -5.402 -4.840 3.924 1.00 0.00 O ATOM 185 CB TYR A 14 -7.605 -2.774 5.624 1.00 0.00 C ATOM 186 CG TYR A 14 -8.125 -4.176 5.984 1.00 0.00 C ATOM 187 CD1 TYR A 14 -7.567 -4.896 7.025 1.00 0.00 C ATOM 188 CD2 TYR A 14 -9.160 -4.737 5.261 1.00 0.00 C ATOM 189 CE1 TYR A 14 -8.038 -6.156 7.334 1.00 0.00 C ATOM 190 CE2 TYR A 14 -9.630 -5.995 5.571 1.00 0.00 C ATOM 191 CZ TYR A 14 -9.072 -6.713 6.609 1.00 0.00 C ATOM 192 OH TYR A 14 -9.545 -7.972 6.917 1.00 0.00 O ATOM 0 H TYR A 14 -6.173 -0.759 5.185 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.481 -3.240 5.800 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.605 -2.139 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.269 -2.307 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.758 -4.470 7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.605 -4.185 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.595 -6.710 8.148 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.440 -6.422 4.998 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.275 -8.206 6.306 1.00 0.00 H new ATOM 202 N GLN A 15 -6.935 -3.569 2.893 1.00 0.00 N ATOM 203 CA GLN A 15 -7.023 -4.430 1.672 1.00 0.00 C ATOM 204 C GLN A 15 -5.606 -4.846 1.225 1.00 0.00 C ATOM 205 O GLN A 15 -5.227 -5.991 1.376 1.00 0.00 O ATOM 206 CB GLN A 15 -7.759 -3.613 0.579 1.00 0.00 C ATOM 207 CG GLN A 15 -9.188 -3.294 1.047 1.00 0.00 C ATOM 208 CD GLN A 15 -9.885 -2.431 -0.011 1.00 0.00 C ATOM 209 OE1 GLN A 15 -10.219 -2.878 -1.091 1.00 0.00 O ATOM 210 NE2 GLN A 15 -10.112 -1.180 0.277 1.00 0.00 N ATOM 0 H GLN A 15 -7.542 -2.750 2.877 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.577 -5.348 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.218 -2.689 0.375 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.788 -4.177 -0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.746 -4.217 1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.162 -2.769 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.831 -0.806 1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.570 -0.575 -0.404 1.00 0.00 H new ATOM 219 N LEU A 16 -4.863 -3.909 0.692 1.00 0.00 N ATOM 220 CA LEU A 16 -3.473 -4.215 0.234 1.00 0.00 C ATOM 221 C LEU A 16 -2.505 -4.794 1.264 1.00 0.00 C ATOM 222 O LEU A 16 -1.514 -5.377 0.863 1.00 0.00 O ATOM 223 CB LEU A 16 -2.875 -2.938 -0.398 1.00 0.00 C ATOM 224 CG LEU A 16 -3.179 -3.063 -1.923 1.00 0.00 C ATOM 225 CD1 LEU A 16 -4.662 -2.755 -2.212 1.00 0.00 C ATOM 226 CD2 LEU A 16 -2.300 -2.154 -2.731 1.00 0.00 C ATOM 0 H LEU A 16 -5.160 -2.943 0.554 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.587 -5.030 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.328 -2.040 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.803 -2.871 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.969 -4.092 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.851 -2.848 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.292 -3.459 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.892 -1.739 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.537 -2.265 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.469 -1.121 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.255 -2.415 -2.564 1.00 0.00 H new ATOM 238 N GLU A 17 -2.778 -4.631 2.536 1.00 0.00 N ATOM 239 CA GLU A 17 -1.847 -5.211 3.571 1.00 0.00 C ATOM 240 C GLU A 17 -1.901 -6.715 3.267 1.00 0.00 C ATOM 241 O GLU A 17 -0.906 -7.406 3.145 1.00 0.00 O ATOM 242 CB GLU A 17 -2.367 -4.963 5.008 1.00 0.00 C ATOM 243 CG GLU A 17 -2.678 -3.473 5.179 1.00 0.00 C ATOM 244 CD GLU A 17 -2.784 -3.073 6.661 1.00 0.00 C ATOM 245 OE1 GLU A 17 -3.619 -3.657 7.335 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.018 -2.198 7.034 1.00 0.00 O ATOM 0 H GLU A 17 -3.588 -4.132 2.904 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.850 -4.772 3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.262 -5.557 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.620 -5.277 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.898 -2.882 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.614 -3.237 4.672 1.00 0.00 H new ATOM 253 N ASN A 18 -3.130 -7.142 3.146 1.00 0.00 N ATOM 254 CA ASN A 18 -3.447 -8.564 2.839 1.00 0.00 C ATOM 255 C ASN A 18 -2.906 -8.917 1.436 1.00 0.00 C ATOM 256 O ASN A 18 -2.733 -10.082 1.133 1.00 0.00 O ATOM 257 CB ASN A 18 -4.982 -8.759 2.893 1.00 0.00 C ATOM 258 CG ASN A 18 -5.516 -8.330 4.269 1.00 0.00 C ATOM 259 OD1 ASN A 18 -5.159 -8.887 5.288 1.00 0.00 O ATOM 260 ND2 ASN A 18 -6.371 -7.346 4.348 1.00 0.00 N ATOM 0 H ASN A 18 -3.950 -6.544 3.251 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.978 -9.222 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.460 -8.172 2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.231 -9.803 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.730 -7.054 5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.680 -6.869 3.501 1.00 0.00 H new ATOM 267 N TYR A 19 -2.656 -7.909 0.627 1.00 0.00 N ATOM 268 CA TYR A 19 -2.126 -8.149 -0.761 1.00 0.00 C ATOM 269 C TYR A 19 -0.617 -7.844 -0.839 1.00 0.00 C ATOM 270 O TYR A 19 -0.116 -7.469 -1.882 1.00 0.00 O ATOM 271 CB TYR A 19 -2.894 -7.247 -1.811 1.00 0.00 C ATOM 272 CG TYR A 19 -4.405 -7.267 -1.508 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.097 -8.338 -0.965 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.084 -6.117 -1.772 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.449 -8.223 -0.696 1.00 0.00 C ATOM 276 CE2 TYR A 19 -6.405 -5.991 -1.510 1.00 0.00 C ATOM 277 CZ TYR A 19 -7.116 -7.041 -0.966 1.00 0.00 C ATOM 278 OH TYR A 19 -8.463 -6.908 -0.691 1.00 0.00 O ATOM 0 H TYR A 19 -2.796 -6.928 0.868 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.287 -9.201 -0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.519 -6.224 -1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.711 -7.613 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.581 -9.262 -0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.553 -5.281 -2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.986 -9.059 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.908 -5.060 -1.729 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.596 -6.177 -0.052 1.00 0.00 H new ATOM 288 N CYS A 20 0.063 -8.014 0.274 1.00 0.00 N ATOM 289 CA CYS A 20 1.537 -7.762 0.311 1.00 0.00 C ATOM 290 C CYS A 20 2.169 -9.044 0.839 1.00 0.00 C ATOM 291 O CYS A 20 3.043 -9.607 0.208 1.00 0.00 O ATOM 292 CB CYS A 20 1.862 -6.539 1.232 1.00 0.00 C ATOM 293 SG CYS A 20 1.803 -6.513 3.041 1.00 0.00 S ATOM 0 H CYS A 20 -0.344 -8.317 1.159 1.00 0.00 H new ATOM 0 HA CYS A 20 1.930 -7.515 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.875 -6.235 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.194 -5.742 0.906 1.00 0.00 H new ATOM 298 N ASN A 21 1.703 -9.458 1.986 1.00 0.00 N ATOM 299 CA ASN A 21 2.227 -10.713 2.617 1.00 0.00 C ATOM 300 C ASN A 21 1.064 -11.533 3.193 1.00 0.00 C ATOM 301 O ASN A 21 0.467 -11.203 4.199 1.00 0.00 O ATOM 302 CB ASN A 21 3.234 -10.344 3.733 1.00 0.00 C ATOM 303 CG ASN A 21 3.866 -11.639 4.268 1.00 0.00 C ATOM 304 OD1 ASN A 21 3.245 -12.411 4.972 1.00 0.00 O ATOM 305 ND2 ASN A 21 5.101 -11.915 3.952 1.00 0.00 N ATOM 0 H ASN A 21 0.977 -8.980 2.520 1.00 0.00 H new ATOM 0 HA ASN A 21 2.735 -11.316 1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.005 -9.679 3.343 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.729 -9.809 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.536 -12.771 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.632 -11.274 3.362 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 -0.229 7.437 0.611 1.00 0.00 N ATOM 314 CA PHE B 1 -1.491 8.006 1.169 1.00 0.00 C ATOM 315 C PHE B 1 -2.623 6.970 1.044 1.00 0.00 C ATOM 316 O PHE B 1 -2.552 6.071 0.229 1.00 0.00 O ATOM 317 CB PHE B 1 -1.827 9.303 0.387 1.00 0.00 C ATOM 318 CG PHE B 1 -3.133 9.937 0.892 1.00 0.00 C ATOM 319 CD1 PHE B 1 -4.355 9.523 0.393 1.00 0.00 C ATOM 320 CD2 PHE B 1 -3.102 10.925 1.858 1.00 0.00 C ATOM 321 CE1 PHE B 1 -5.526 10.086 0.853 1.00 0.00 C ATOM 322 CE2 PHE B 1 -4.274 11.489 2.319 1.00 0.00 C ATOM 323 CZ PHE B 1 -5.487 11.069 1.815 1.00 0.00 C ATOM 0 H1 PHE B 1 0.454 7.285 1.381 1.00 0.00 H new ATOM 0 H2 PHE B 1 -0.433 6.530 0.146 1.00 0.00 H new ATOM 0 H3 PHE B 1 0.173 8.099 -0.083 1.00 0.00 H new ATOM 0 HA PHE B 1 -1.374 8.246 2.226 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -1.009 10.016 0.493 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -1.917 9.077 -0.675 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -4.392 8.753 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -2.154 11.258 2.255 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -6.475 9.755 0.458 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -4.241 12.260 3.075 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.405 11.511 2.175 1.00 0.00 H new ATOM 335 N VAL B 2 -3.633 7.140 1.864 1.00 0.00 N ATOM 336 CA VAL B 2 -4.808 6.209 1.858 1.00 0.00 C ATOM 337 C VAL B 2 -6.140 6.964 1.692 1.00 0.00 C ATOM 338 O VAL B 2 -6.419 7.883 2.436 1.00 0.00 O ATOM 339 CB VAL B 2 -4.792 5.394 3.193 1.00 0.00 C ATOM 340 CG1 VAL B 2 -3.532 4.500 3.213 1.00 0.00 C ATOM 341 CG2 VAL B 2 -4.740 6.325 4.432 1.00 0.00 C ATOM 0 H VAL B 2 -3.694 7.895 2.547 1.00 0.00 H new ATOM 0 HA VAL B 2 -4.727 5.537 1.004 1.00 0.00 H new ATOM 0 HB VAL B 2 -5.706 4.802 3.238 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -3.508 3.926 4.139 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.556 3.818 2.363 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -2.641 5.125 3.151 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -4.730 5.722 5.340 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -3.837 6.935 4.391 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -5.616 6.974 4.437 1.00 0.00 H new ATOM 351 N ASN B 3 -6.881 6.521 0.700 1.00 0.00 N ATOM 352 CA ASN B 3 -8.235 7.034 0.272 1.00 0.00 C ATOM 353 C ASN B 3 -8.109 7.980 -0.936 1.00 0.00 C ATOM 354 O ASN B 3 -8.724 9.028 -0.996 1.00 0.00 O ATOM 355 CB ASN B 3 -8.972 7.809 1.424 1.00 0.00 C ATOM 356 CG ASN B 3 -9.155 6.894 2.641 1.00 0.00 C ATOM 357 OD1 ASN B 3 -9.574 5.758 2.529 1.00 0.00 O ATOM 358 ND2 ASN B 3 -8.857 7.357 3.823 1.00 0.00 N ATOM 0 H ASN B 3 -6.567 5.748 0.114 1.00 0.00 H new ATOM 0 HA ASN B 3 -8.820 6.153 0.006 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -8.397 8.691 1.706 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -9.943 8.160 1.074 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -8.976 6.767 4.647 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -8.505 8.309 3.924 1.00 0.00 H new ATOM 365 N GLN B 4 -7.299 7.563 -1.876 1.00 0.00 N ATOM 366 CA GLN B 4 -7.056 8.352 -3.120 1.00 0.00 C ATOM 367 C GLN B 4 -7.019 7.374 -4.311 1.00 0.00 C ATOM 368 O GLN B 4 -7.219 6.185 -4.146 1.00 0.00 O ATOM 369 CB GLN B 4 -5.720 9.113 -2.889 1.00 0.00 C ATOM 370 CG GLN B 4 -5.336 10.044 -4.060 1.00 0.00 C ATOM 371 CD GLN B 4 -4.165 10.930 -3.614 1.00 0.00 C ATOM 372 OE1 GLN B 4 -3.093 10.456 -3.292 1.00 0.00 O ATOM 373 NE2 GLN B 4 -4.332 12.224 -3.579 1.00 0.00 N ATOM 0 H GLN B 4 -6.783 6.684 -1.830 1.00 0.00 H new ATOM 0 HA GLN B 4 -7.835 9.080 -3.346 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -5.799 9.703 -1.976 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -4.920 8.389 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -5.055 9.457 -4.934 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -6.188 10.659 -4.350 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -5.228 12.630 -3.848 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -3.566 12.829 -3.283 1.00 0.00 H new ATOM 382 N HIS B 5 -6.763 7.907 -5.477 1.00 0.00 N ATOM 383 CA HIS B 5 -6.693 7.078 -6.718 1.00 0.00 C ATOM 384 C HIS B 5 -5.233 6.679 -6.958 1.00 0.00 C ATOM 385 O HIS B 5 -4.448 7.423 -7.515 1.00 0.00 O ATOM 386 CB HIS B 5 -7.215 7.884 -7.923 1.00 0.00 C ATOM 387 CG HIS B 5 -8.742 8.001 -7.865 1.00 0.00 C ATOM 388 ND1 HIS B 5 -9.559 6.999 -7.868 1.00 0.00 N ATOM 389 CD2 HIS B 5 -9.566 9.113 -7.808 1.00 0.00 C ATOM 390 CE1 HIS B 5 -10.778 7.430 -7.820 1.00 0.00 C ATOM 391 NE2 HIS B 5 -10.830 8.738 -7.781 1.00 0.00 N ATOM 0 H HIS B 5 -6.596 8.902 -5.624 1.00 0.00 H new ATOM 0 HA HIS B 5 -7.311 6.188 -6.600 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -6.767 8.878 -7.925 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -6.916 7.397 -8.851 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -9.223 10.137 -7.789 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -11.647 6.789 -7.813 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -11.659 9.331 -7.739 1.00 0.00 H new ATOM 399 N LEU B 6 -4.937 5.487 -6.508 1.00 0.00 N ATOM 400 CA LEU B 6 -3.566 4.909 -6.642 1.00 0.00 C ATOM 401 C LEU B 6 -3.618 3.880 -7.771 1.00 0.00 C ATOM 402 O LEU B 6 -4.338 2.905 -7.688 1.00 0.00 O ATOM 403 CB LEU B 6 -3.153 4.228 -5.307 1.00 0.00 C ATOM 404 CG LEU B 6 -2.692 5.281 -4.250 1.00 0.00 C ATOM 405 CD1 LEU B 6 -3.878 6.094 -3.698 1.00 0.00 C ATOM 406 CD2 LEU B 6 -1.988 4.563 -3.081 1.00 0.00 C ATOM 0 H LEU B 6 -5.606 4.875 -6.041 1.00 0.00 H new ATOM 0 HA LEU B 6 -2.833 5.683 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.994 3.658 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.346 3.519 -5.493 1.00 0.00 H new ATOM 0 HG LEU B 6 -2.007 5.970 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -3.515 6.815 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -4.369 6.622 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -4.590 5.421 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -1.666 5.298 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -2.680 3.861 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.120 4.022 -3.456 1.00 0.00 H new ATOM 418 N CYS B 7 -2.841 4.152 -8.789 1.00 0.00 N ATOM 419 CA CYS B 7 -2.761 3.265 -9.992 1.00 0.00 C ATOM 420 C CYS B 7 -1.325 2.734 -10.184 1.00 0.00 C ATOM 421 O CYS B 7 -0.550 2.702 -9.249 1.00 0.00 O ATOM 422 CB CYS B 7 -3.223 4.106 -11.200 1.00 0.00 C ATOM 423 SG CYS B 7 -4.747 5.060 -10.986 1.00 0.00 S ATOM 0 H CYS B 7 -2.241 4.976 -8.838 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.399 2.389 -9.877 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.422 4.797 -11.461 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.356 3.437 -12.050 1.00 0.00 H new ATOM 428 N GLY B 8 -1.052 2.318 -11.396 1.00 0.00 N ATOM 429 CA GLY B 8 0.274 1.765 -11.835 1.00 0.00 C ATOM 430 C GLY B 8 1.521 2.308 -11.107 1.00 0.00 C ATOM 431 O GLY B 8 2.051 3.316 -11.531 1.00 0.00 O ATOM 0 H GLY B 8 -1.741 2.341 -12.148 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.250 0.682 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.389 1.960 -12.901 1.00 0.00 H new ATOM 435 N SER B 9 1.916 1.620 -10.057 1.00 0.00 N ATOM 436 CA SER B 9 3.106 1.937 -9.175 1.00 0.00 C ATOM 437 C SER B 9 2.603 2.225 -7.770 1.00 0.00 C ATOM 438 O SER B 9 2.987 1.574 -6.819 1.00 0.00 O ATOM 439 CB SER B 9 3.912 3.196 -9.649 1.00 0.00 C ATOM 440 OG SER B 9 4.985 3.325 -8.723 1.00 0.00 O ATOM 0 H SER B 9 1.421 0.783 -9.750 1.00 0.00 H new ATOM 0 HA SER B 9 3.770 1.074 -9.219 1.00 0.00 H new ATOM 0 HB2 SER B 9 4.283 3.066 -10.666 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.284 4.087 -9.651 1.00 0.00 H new ATOM 0 HG SER B 9 5.534 4.100 -8.965 1.00 0.00 H new ATOM 446 N HIS B 10 1.760 3.221 -7.711 1.00 0.00 N ATOM 447 CA HIS B 10 1.127 3.684 -6.433 1.00 0.00 C ATOM 448 C HIS B 10 0.785 2.467 -5.553 1.00 0.00 C ATOM 449 O HIS B 10 1.151 2.370 -4.398 1.00 0.00 O ATOM 450 CB HIS B 10 -0.168 4.450 -6.738 1.00 0.00 C ATOM 451 CG HIS B 10 0.019 5.547 -7.792 1.00 0.00 C ATOM 452 ND1 HIS B 10 0.390 5.353 -9.015 1.00 0.00 N ATOM 453 CD2 HIS B 10 -0.158 6.916 -7.704 1.00 0.00 C ATOM 454 CE1 HIS B 10 0.443 6.484 -9.641 1.00 0.00 C ATOM 455 NE2 HIS B 10 0.110 7.484 -8.864 1.00 0.00 N ATOM 0 H HIS B 10 1.471 3.757 -8.529 1.00 0.00 H new ATOM 0 HA HIS B 10 1.827 4.337 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -0.926 3.747 -7.083 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -0.544 4.898 -5.818 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -0.470 7.443 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS B 10 0.727 6.590 -10.678 1.00 0.00 H new ATOM 0 HE2 HIS B 10 0.068 8.475 -9.101 1.00 0.00 H new ATOM 463 N LEU B 11 0.071 1.581 -6.201 1.00 0.00 N ATOM 464 CA LEU B 11 -0.402 0.302 -5.589 1.00 0.00 C ATOM 465 C LEU B 11 0.732 -0.545 -5.033 1.00 0.00 C ATOM 466 O LEU B 11 0.646 -1.010 -3.913 1.00 0.00 O ATOM 467 CB LEU B 11 -1.175 -0.492 -6.658 1.00 0.00 C ATOM 468 CG LEU B 11 -2.410 0.323 -7.111 1.00 0.00 C ATOM 469 CD1 LEU B 11 -3.138 -0.421 -8.248 1.00 0.00 C ATOM 470 CD2 LEU B 11 -3.386 0.497 -5.931 1.00 0.00 C ATOM 0 H LEU B 11 -0.215 1.699 -7.173 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.044 0.551 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.529 -0.699 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.489 -1.455 -6.255 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.075 1.300 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -4.007 0.157 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.460 -0.547 -9.092 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.462 -1.399 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.253 1.072 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.711 -0.482 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.885 1.025 -5.120 1.00 0.00 H new ATOM 482 N VAL B 12 1.765 -0.735 -5.817 1.00 0.00 N ATOM 483 CA VAL B 12 2.912 -1.558 -5.319 1.00 0.00 C ATOM 484 C VAL B 12 3.409 -0.865 -4.055 1.00 0.00 C ATOM 485 O VAL B 12 3.597 -1.501 -3.046 1.00 0.00 O ATOM 486 CB VAL B 12 4.100 -1.601 -6.324 1.00 0.00 C ATOM 487 CG1 VAL B 12 5.028 -2.768 -5.946 1.00 0.00 C ATOM 488 CG2 VAL B 12 3.637 -1.793 -7.760 1.00 0.00 C ATOM 0 H VAL B 12 1.864 -0.364 -6.762 1.00 0.00 H new ATOM 0 HA VAL B 12 2.573 -2.582 -5.162 1.00 0.00 H new ATOM 0 HB VAL B 12 4.618 -0.644 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.865 -2.808 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL B 12 5.406 -2.619 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL B 12 4.472 -3.704 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.503 -1.816 -8.421 1.00 0.00 H new ATOM 0 HG22 VAL B 12 3.091 -2.733 -7.844 1.00 0.00 H new ATOM 0 HG23 VAL B 12 2.985 -0.968 -8.045 1.00 0.00 H new ATOM 498 N GLU B 13 3.590 0.427 -4.137 1.00 0.00 N ATOM 499 CA GLU B 13 4.082 1.179 -2.944 1.00 0.00 C ATOM 500 C GLU B 13 2.997 1.434 -1.882 1.00 0.00 C ATOM 501 O GLU B 13 3.150 2.314 -1.057 1.00 0.00 O ATOM 502 CB GLU B 13 4.642 2.534 -3.392 1.00 0.00 C ATOM 503 CG GLU B 13 5.614 2.383 -4.572 1.00 0.00 C ATOM 504 CD GLU B 13 6.163 3.772 -4.934 1.00 0.00 C ATOM 505 OE1 GLU B 13 5.402 4.536 -5.512 1.00 0.00 O ATOM 506 OE2 GLU B 13 7.315 3.980 -4.598 1.00 0.00 O ATOM 0 H GLU B 13 3.420 0.990 -4.970 1.00 0.00 H new ATOM 0 HA GLU B 13 4.848 0.554 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.821 3.191 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU B 13 5.155 3.011 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU B 13 6.430 1.711 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU B 13 5.104 1.942 -5.429 1.00 0.00 H new ATOM 513 N ALA B 14 1.938 0.669 -1.941 1.00 0.00 N ATOM 514 CA ALA B 14 0.809 0.793 -0.967 1.00 0.00 C ATOM 515 C ALA B 14 0.908 -0.492 -0.144 1.00 0.00 C ATOM 516 O ALA B 14 1.008 -0.477 1.067 1.00 0.00 O ATOM 517 CB ALA B 14 -0.529 0.868 -1.721 1.00 0.00 C ATOM 0 H ALA B 14 1.804 -0.058 -2.644 1.00 0.00 H new ATOM 0 HA ALA B 14 0.861 1.689 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.346 0.958 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -0.527 1.736 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -0.664 -0.037 -2.313 1.00 0.00 H new ATOM 523 N LEU B 15 0.886 -1.587 -0.862 1.00 0.00 N ATOM 524 CA LEU B 15 0.979 -2.924 -0.211 1.00 0.00 C ATOM 525 C LEU B 15 2.413 -3.082 0.292 1.00 0.00 C ATOM 526 O LEU B 15 2.622 -3.598 1.371 1.00 0.00 O ATOM 527 CB LEU B 15 0.565 -4.011 -1.280 1.00 0.00 C ATOM 528 CG LEU B 15 1.385 -3.959 -2.596 1.00 0.00 C ATOM 529 CD1 LEU B 15 2.587 -4.914 -2.495 1.00 0.00 C ATOM 530 CD2 LEU B 15 0.505 -4.415 -3.779 1.00 0.00 C ATOM 0 H LEU B 15 0.807 -1.609 -1.879 1.00 0.00 H new ATOM 0 HA LEU B 15 0.311 -3.039 0.642 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.675 -5.000 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.491 -3.885 -1.519 1.00 0.00 H new ATOM 0 HG LEU B 15 1.727 -2.936 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.161 -4.875 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU B 15 3.222 -4.613 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.231 -5.931 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.086 -4.377 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.165 -5.436 -3.607 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.358 -3.755 -3.866 1.00 0.00 H new ATOM 542 N TYR B 16 3.371 -2.628 -0.477 1.00 0.00 N ATOM 543 CA TYR B 16 4.783 -2.750 -0.031 1.00 0.00 C ATOM 544 C TYR B 16 4.992 -1.653 0.999 1.00 0.00 C ATOM 545 O TYR B 16 5.978 -1.685 1.695 1.00 0.00 O ATOM 546 CB TYR B 16 5.729 -2.624 -1.302 1.00 0.00 C ATOM 547 CG TYR B 16 6.540 -1.338 -1.661 1.00 0.00 C ATOM 548 CD1 TYR B 16 6.843 -0.252 -0.847 1.00 0.00 C ATOM 549 CD2 TYR B 16 7.034 -1.310 -2.954 1.00 0.00 C ATOM 550 CE1 TYR B 16 7.603 0.795 -1.308 1.00 0.00 C ATOM 551 CE2 TYR B 16 7.791 -0.264 -3.423 1.00 0.00 C ATOM 552 CZ TYR B 16 8.088 0.804 -2.601 1.00 0.00 C ATOM 553 OH TYR B 16 8.861 1.854 -3.057 1.00 0.00 O ATOM 0 H TYR B 16 3.234 -2.183 -1.385 1.00 0.00 H new ATOM 0 HA TYR B 16 5.019 -3.710 0.427 1.00 0.00 H new ATOM 0 HB2 TYR B 16 6.457 -3.431 -1.221 1.00 0.00 H new ATOM 0 HB3 TYR B 16 5.106 -2.843 -2.169 1.00 0.00 H new ATOM 0 HD1 TYR B 16 6.473 -0.231 0.168 1.00 0.00 H new ATOM 0 HD2 TYR B 16 6.817 -2.136 -3.615 1.00 0.00 H new ATOM 0 HE1 TYR B 16 7.824 1.623 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR B 16 8.155 -0.278 -4.440 1.00 0.00 H new ATOM 0 HH TYR B 16 8.295 2.491 -3.540 1.00 0.00 H new ATOM 563 N LEU B 17 4.085 -0.706 1.094 1.00 0.00 N ATOM 564 CA LEU B 17 4.254 0.388 2.106 1.00 0.00 C ATOM 565 C LEU B 17 4.131 -0.345 3.452 1.00 0.00 C ATOM 566 O LEU B 17 4.970 -0.220 4.323 1.00 0.00 O ATOM 567 CB LEU B 17 3.119 1.428 1.982 1.00 0.00 C ATOM 568 CG LEU B 17 3.574 2.838 2.469 1.00 0.00 C ATOM 569 CD1 LEU B 17 2.397 3.821 2.316 1.00 0.00 C ATOM 570 CD2 LEU B 17 4.031 2.825 3.948 1.00 0.00 C ATOM 0 H LEU B 17 3.244 -0.644 0.521 1.00 0.00 H new ATOM 0 HA LEU B 17 5.193 0.927 1.984 1.00 0.00 H new ATOM 0 HB2 LEU B 17 2.793 1.489 0.944 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.260 1.101 2.567 1.00 0.00 H new ATOM 0 HG LEU B 17 4.425 3.145 1.861 1.00 0.00 H new ATOM 0 HD11 LEU B 17 2.704 4.811 2.654 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.099 3.871 1.269 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.555 3.477 2.917 1.00 0.00 H new ATOM 0 HD21 LEU B 17 4.339 3.828 4.243 1.00 0.00 H new ATOM 0 HD22 LEU B 17 3.206 2.498 4.581 1.00 0.00 H new ATOM 0 HD23 LEU B 17 4.871 2.140 4.063 1.00 0.00 H new ATOM 582 N VAL B 18 3.063 -1.100 3.548 1.00 0.00 N ATOM 583 CA VAL B 18 2.782 -1.887 4.785 1.00 0.00 C ATOM 584 C VAL B 18 3.875 -2.958 4.946 1.00 0.00 C ATOM 585 O VAL B 18 4.322 -3.228 6.044 1.00 0.00 O ATOM 586 CB VAL B 18 1.351 -2.458 4.604 1.00 0.00 C ATOM 587 CG1 VAL B 18 0.938 -3.308 5.827 1.00 0.00 C ATOM 588 CG2 VAL B 18 0.399 -1.231 4.490 1.00 0.00 C ATOM 0 H VAL B 18 2.366 -1.204 2.810 1.00 0.00 H new ATOM 0 HA VAL B 18 2.808 -1.300 5.703 1.00 0.00 H new ATOM 0 HB VAL B 18 1.305 -3.098 3.723 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.069 -3.697 5.676 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.634 -4.138 5.945 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.957 -2.689 6.724 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.627 -1.577 4.361 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.468 -0.631 5.398 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.688 -0.624 3.632 1.00 0.00 H new ATOM 598 N CYS B 19 4.262 -3.527 3.836 1.00 0.00 N ATOM 599 CA CYS B 19 5.326 -4.583 3.808 1.00 0.00 C ATOM 600 C CYS B 19 6.597 -3.980 3.145 1.00 0.00 C ATOM 601 O CYS B 19 7.144 -4.530 2.206 1.00 0.00 O ATOM 602 CB CYS B 19 4.837 -5.799 2.982 1.00 0.00 C ATOM 603 SG CYS B 19 3.666 -7.017 3.642 1.00 0.00 S ATOM 0 H CYS B 19 3.876 -3.300 2.920 1.00 0.00 H new ATOM 0 HA CYS B 19 5.550 -4.914 4.822 1.00 0.00 H new ATOM 0 HB2 CYS B 19 4.391 -5.399 2.072 1.00 0.00 H new ATOM 0 HB3 CYS B 19 5.728 -6.352 2.684 1.00 0.00 H new ATOM 608 N GLY B 20 7.029 -2.853 3.662 1.00 0.00 N ATOM 609 CA GLY B 20 8.251 -2.155 3.116 1.00 0.00 C ATOM 610 C GLY B 20 9.304 -1.962 4.189 1.00 0.00 C ATOM 611 O GLY B 20 9.996 -0.964 4.227 1.00 0.00 O ATOM 0 H GLY B 20 6.585 -2.378 4.448 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.669 -2.738 2.295 1.00 0.00 H new ATOM 0 HA3 GLY B 20 7.966 -1.186 2.706 1.00 0.00 H new ATOM 615 N GLU B 21 9.377 -2.951 5.031 1.00 0.00 N ATOM 616 CA GLU B 21 10.356 -2.941 6.149 1.00 0.00 C ATOM 617 C GLU B 21 11.051 -4.304 6.074 1.00 0.00 C ATOM 618 O GLU B 21 10.959 -5.120 6.972 1.00 0.00 O ATOM 619 CB GLU B 21 9.563 -2.728 7.470 1.00 0.00 C ATOM 620 CG GLU B 21 10.543 -2.388 8.613 1.00 0.00 C ATOM 621 CD GLU B 21 11.327 -1.114 8.238 1.00 0.00 C ATOM 622 OE1 GLU B 21 10.689 -0.075 8.169 1.00 0.00 O ATOM 623 OE2 GLU B 21 12.523 -1.256 8.038 1.00 0.00 O ATOM 0 H GLU B 21 8.787 -3.782 4.990 1.00 0.00 H new ATOM 0 HA GLU B 21 11.102 -2.148 6.099 1.00 0.00 H new ATOM 0 HB2 GLU B 21 8.840 -1.922 7.346 1.00 0.00 H new ATOM 0 HB3 GLU B 21 8.999 -3.628 7.716 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.997 -2.234 9.544 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.230 -3.218 8.780 1.00 0.00 H new ATOM 630 N ARG B 22 11.734 -4.490 4.969 1.00 0.00 N ATOM 631 CA ARG B 22 12.473 -5.766 4.722 1.00 0.00 C ATOM 632 C ARG B 22 13.982 -5.492 4.618 1.00 0.00 C ATOM 633 O ARG B 22 14.723 -5.744 5.549 1.00 0.00 O ATOM 634 CB ARG B 22 11.928 -6.399 3.405 1.00 0.00 C ATOM 635 CG ARG B 22 10.374 -6.425 3.406 1.00 0.00 C ATOM 636 CD ARG B 22 9.852 -6.865 2.023 1.00 0.00 C ATOM 637 NE ARG B 22 10.390 -5.917 0.998 1.00 0.00 N ATOM 638 CZ ARG B 22 9.585 -5.204 0.256 1.00 0.00 C ATOM 639 NH1 ARG B 22 8.832 -5.809 -0.620 1.00 0.00 N ATOM 640 NH2 ARG B 22 9.565 -3.910 0.416 1.00 0.00 N ATOM 0 H ARG B 22 11.811 -3.802 4.220 1.00 0.00 H new ATOM 0 HA ARG B 22 12.320 -6.459 5.549 1.00 0.00 H new ATOM 0 HB2 ARG B 22 12.286 -5.829 2.547 1.00 0.00 H new ATOM 0 HB3 ARG B 22 12.313 -7.413 3.297 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.014 -7.110 4.174 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.986 -5.437 3.653 1.00 0.00 H new ATOM 0 HD2 ARG B 22 10.170 -7.884 1.803 1.00 0.00 H new ATOM 0 HD3 ARG B 22 8.762 -6.862 2.009 1.00 0.00 H new ATOM 0 HE ARG B 22 11.399 -5.826 0.877 1.00 0.00 H new ATOM 0 HH11 ARG B 22 8.877 -6.823 -0.718 1.00 0.00 H new ATOM 0 HH12 ARG B 22 8.198 -5.268 -1.208 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.171 -3.473 1.110 1.00 0.00 H new ATOM 0 HH22 ARG B 22 8.944 -3.335 -0.153 1.00 0.00 H new ATOM 654 N GLY B 23 14.378 -4.983 3.481 1.00 0.00 N ATOM 655 CA GLY B 23 15.815 -4.654 3.211 1.00 0.00 C ATOM 656 C GLY B 23 15.972 -3.319 2.490 1.00 0.00 C ATOM 657 O GLY B 23 16.473 -3.261 1.383 1.00 0.00 O ATOM 0 H GLY B 23 13.749 -4.775 2.705 1.00 0.00 H new ATOM 0 HA2 GLY B 23 16.363 -4.623 4.153 1.00 0.00 H new ATOM 0 HA3 GLY B 23 16.261 -5.446 2.609 1.00 0.00 H new ATOM 661 N GLY B 24 15.529 -2.291 3.157 1.00 0.00 N ATOM 662 CA GLY B 24 15.600 -0.899 2.604 1.00 0.00 C ATOM 663 C GLY B 24 16.315 0.065 3.560 1.00 0.00 C ATOM 664 O GLY B 24 16.933 -0.340 4.525 1.00 0.00 O ATOM 0 H GLY B 24 15.110 -2.353 4.085 1.00 0.00 H new ATOM 0 HA2 GLY B 24 16.123 -0.915 1.648 1.00 0.00 H new ATOM 0 HA3 GLY B 24 14.591 -0.535 2.409 1.00 0.00 H new ATOM 668 N PHE B 25 16.191 1.327 3.235 1.00 0.00 N ATOM 669 CA PHE B 25 16.808 2.432 4.035 1.00 0.00 C ATOM 670 C PHE B 25 15.652 3.069 4.812 1.00 0.00 C ATOM 671 O PHE B 25 15.214 4.173 4.549 1.00 0.00 O ATOM 672 CB PHE B 25 17.463 3.440 3.067 1.00 0.00 C ATOM 673 CG PHE B 25 18.798 2.885 2.538 1.00 0.00 C ATOM 674 CD1 PHE B 25 19.918 2.900 3.353 1.00 0.00 C ATOM 675 CD2 PHE B 25 18.907 2.370 1.259 1.00 0.00 C ATOM 676 CE1 PHE B 25 21.124 2.409 2.899 1.00 0.00 C ATOM 677 CE2 PHE B 25 20.116 1.879 0.804 1.00 0.00 C ATOM 678 CZ PHE B 25 21.224 1.898 1.623 1.00 0.00 C ATOM 0 H PHE B 25 15.669 1.648 2.420 1.00 0.00 H new ATOM 0 HA PHE B 25 17.584 2.086 4.718 1.00 0.00 H new ATOM 0 HB2 PHE B 25 16.791 3.643 2.234 1.00 0.00 H new ATOM 0 HB3 PHE B 25 17.633 4.388 3.578 1.00 0.00 H new ATOM 0 HD1 PHE B 25 19.846 3.300 4.354 1.00 0.00 H new ATOM 0 HD2 PHE B 25 18.042 2.351 0.612 1.00 0.00 H new ATOM 0 HE1 PHE B 25 21.990 2.425 3.544 1.00 0.00 H new ATOM 0 HE2 PHE B 25 20.193 1.479 -0.196 1.00 0.00 H new ATOM 0 HZ PHE B 25 22.168 1.514 1.266 1.00 0.00 H new ATOM 688 N TYR B 26 15.208 2.294 5.766 1.00 0.00 N ATOM 689 CA TYR B 26 14.080 2.688 6.661 1.00 0.00 C ATOM 690 C TYR B 26 14.535 3.003 8.085 1.00 0.00 C ATOM 691 O TYR B 26 15.680 2.815 8.447 1.00 0.00 O ATOM 692 CB TYR B 26 13.072 1.533 6.673 1.00 0.00 C ATOM 693 CG TYR B 26 12.242 1.551 5.384 1.00 0.00 C ATOM 694 CD1 TYR B 26 12.689 0.926 4.238 1.00 0.00 C ATOM 695 CD2 TYR B 26 11.030 2.210 5.360 1.00 0.00 C ATOM 696 CE1 TYR B 26 11.934 0.960 3.082 1.00 0.00 C ATOM 697 CE2 TYR B 26 10.274 2.244 4.207 1.00 0.00 C ATOM 698 CZ TYR B 26 10.721 1.621 3.059 1.00 0.00 C ATOM 699 OH TYR B 26 9.960 1.657 1.907 1.00 0.00 O ATOM 0 H TYR B 26 15.595 1.372 5.968 1.00 0.00 H new ATOM 0 HA TYR B 26 13.633 3.605 6.276 1.00 0.00 H new ATOM 0 HB2 TYR B 26 13.597 0.582 6.765 1.00 0.00 H new ATOM 0 HB3 TYR B 26 12.416 1.620 7.539 1.00 0.00 H new ATOM 0 HD1 TYR B 26 13.636 0.407 4.245 1.00 0.00 H new ATOM 0 HD2 TYR B 26 10.671 2.703 6.251 1.00 0.00 H new ATOM 0 HE1 TYR B 26 12.294 0.467 2.191 1.00 0.00 H new ATOM 0 HE2 TYR B 26 9.326 2.761 4.202 1.00 0.00 H new ATOM 0 HH TYR B 26 9.138 2.164 2.074 1.00 0.00 H new ATOM 709 N THR B 27 13.578 3.481 8.838 1.00 0.00 N ATOM 710 CA THR B 27 13.792 3.864 10.266 1.00 0.00 C ATOM 711 C THR B 27 12.735 3.165 11.160 1.00 0.00 C ATOM 712 O THR B 27 11.880 3.824 11.721 1.00 0.00 O ATOM 713 CB THR B 27 13.694 5.412 10.311 1.00 0.00 C ATOM 714 OG1 THR B 27 14.713 5.862 9.427 1.00 0.00 O ATOM 715 CG2 THR B 27 14.105 6.007 11.662 1.00 0.00 C ATOM 0 H THR B 27 12.623 3.626 8.509 1.00 0.00 H new ATOM 0 HA THR B 27 14.762 3.547 10.649 1.00 0.00 H new ATOM 0 HB THR B 27 12.667 5.699 10.085 1.00 0.00 H new ATOM 0 HG1 THR B 27 14.713 6.842 9.400 1.00 0.00 H new ATOM 0 HG21 THR B 27 14.013 7.092 11.625 1.00 0.00 H new ATOM 0 HG22 THR B 27 13.456 5.615 12.445 1.00 0.00 H new ATOM 0 HG23 THR B 27 15.139 5.738 11.879 1.00 0.00 H new ATOM 723 N PRO B 28 12.806 1.854 11.272 1.00 0.00 N ATOM 724 CA PRO B 28 11.895 1.062 12.145 1.00 0.00 C ATOM 725 C PRO B 28 12.362 1.003 13.614 1.00 0.00 C ATOM 726 O PRO B 28 13.461 0.570 13.902 1.00 0.00 O ATOM 727 CB PRO B 28 11.874 -0.291 11.479 1.00 0.00 C ATOM 728 CG PRO B 28 13.370 -0.450 11.071 1.00 0.00 C ATOM 729 CD PRO B 28 13.760 0.960 10.546 1.00 0.00 C ATOM 0 HA PRO B 28 10.903 1.507 12.228 1.00 0.00 H new ATOM 0 HB2 PRO B 28 11.546 -1.079 12.157 1.00 0.00 H new ATOM 0 HB3 PRO B 28 11.207 -0.315 10.617 1.00 0.00 H new ATOM 0 HG2 PRO B 28 13.987 -0.746 11.919 1.00 0.00 H new ATOM 0 HG3 PRO B 28 13.497 -1.213 10.303 1.00 0.00 H new ATOM 0 HD2 PRO B 28 14.798 1.204 10.773 1.00 0.00 H new ATOM 0 HD3 PRO B 28 13.644 1.036 9.465 1.00 0.00 H new ATOM 737 N LYS B 29 11.498 1.450 14.491 1.00 0.00 N ATOM 738 CA LYS B 29 11.791 1.461 15.961 1.00 0.00 C ATOM 739 C LYS B 29 10.695 0.713 16.724 1.00 0.00 C ATOM 740 O LYS B 29 10.947 0.147 17.771 1.00 0.00 O ATOM 741 CB LYS B 29 11.889 2.932 16.480 1.00 0.00 C ATOM 742 CG LYS B 29 13.265 3.541 16.076 1.00 0.00 C ATOM 743 CD LYS B 29 13.304 3.922 14.576 1.00 0.00 C ATOM 744 CE LYS B 29 14.688 3.598 13.975 1.00 0.00 C ATOM 745 NZ LYS B 29 15.747 4.452 14.582 1.00 0.00 N ATOM 0 H LYS B 29 10.579 1.817 14.245 1.00 0.00 H new ATOM 0 HA LYS B 29 12.745 0.961 16.130 1.00 0.00 H new ATOM 0 HB2 LYS B 29 11.079 3.530 16.062 1.00 0.00 H new ATOM 0 HB3 LYS B 29 11.775 2.954 17.564 1.00 0.00 H new ATOM 0 HG2 LYS B 29 13.463 4.425 16.681 1.00 0.00 H new ATOM 0 HG3 LYS B 29 14.057 2.824 16.290 1.00 0.00 H new ATOM 0 HD2 LYS B 29 12.529 3.378 14.036 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.089 4.984 14.458 1.00 0.00 H new ATOM 0 HE2 LYS B 29 14.924 2.547 14.142 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.665 3.753 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 16.656 4.263 14.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 15.497 5.454 14.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.828 4.236 15.596 1.00 0.00 H new ATOM 759 N THR B 30 9.512 0.743 16.165 1.00 0.00 N ATOM 760 CA THR B 30 8.330 0.060 16.781 1.00 0.00 C ATOM 761 C THR B 30 7.891 -1.084 15.862 1.00 0.00 C ATOM 762 O THR B 30 8.606 -2.038 15.628 1.00 0.00 O ATOM 763 CB THR B 30 7.183 1.081 16.943 1.00 0.00 C ATOM 764 OG1 THR B 30 7.708 2.109 17.774 1.00 0.00 O ATOM 765 CG2 THR B 30 6.010 0.504 17.765 1.00 0.00 C ATOM 0 H THR B 30 9.310 1.223 15.288 1.00 0.00 H new ATOM 0 HA THR B 30 8.590 -0.340 17.761 1.00 0.00 H new ATOM 0 HB THR B 30 6.839 1.386 15.955 1.00 0.00 H new ATOM 0 HG1 THR B 30 7.024 2.796 17.916 1.00 0.00 H new ATOM 0 HG21 THR B 30 5.225 1.255 17.855 1.00 0.00 H new ATOM 0 HG22 THR B 30 5.613 -0.378 17.263 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.363 0.228 18.758 1.00 0.00 H new TER 773 THR B 30