USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 378 hydrogens (11 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: A 2 IIL H : A 2 IIL N : A 1 GLY C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -150:sc= -0.293 (180deg=-1.59!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -20:sc= 0.678 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 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.719 K(o=-0.72,f=-2.7!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -1.15! C(o=-2.2!,f=-1.2!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : B 5 HIS : no HD1:sc= -0.0859 K(o=-0.086,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 121:sc= -1.56! USER MOD Single : B 27 THR OG1 : rot 41:sc= -0.0395 USER MOD Single : B 28 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 -6.970 4.819 -1.125 1.00 0.00 N ATOM 2 CA GLY A 1 -6.317 3.485 -1.485 1.00 0.00 C ATOM 3 C GLY A 1 -4.975 3.480 -2.132 1.00 0.00 C ATOM 4 O GLY A 1 -4.458 4.508 -2.520 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.579 4.694 -0.291 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.232 5.521 -0.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.544 5.152 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.241 2.900 -0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.001 2.953 -2.146 1.00 0.00 H new HETATM 10 N IIL A 2 -4.377 2.329 -2.266 1.00 0.00 N HETATM 11 CA IIL A 2 -3.033 2.258 -2.906 1.00 0.00 C HETATM 12 C IIL A 2 -3.050 3.054 -4.213 1.00 0.00 C HETATM 13 O IIL A 2 -2.126 3.778 -4.521 1.00 0.00 O HETATM 14 CB IIL A 2 -2.685 0.795 -3.197 1.00 0.00 C HETATM 15 CG2 IIL A 2 -1.201 0.686 -3.551 1.00 0.00 C HETATM 16 CG1 IIL A 2 -3.530 0.293 -4.370 1.00 0.00 C HETATM 17 CD1 IIL A 2 -3.383 -1.225 -4.489 1.00 0.00 C HETATM 0 HG23 IIL A 2 -0.992 1.292 -4.433 1.00 0.00 H new HETATM 0 HG22 IIL A 2 -0.600 1.043 -2.715 1.00 0.00 H new HETATM 0 HG21 IIL A 2 -0.952 -0.355 -3.758 1.00 0.00 H new HETATM 0 HG13 IIL A 2 -4.576 0.557 -4.218 1.00 0.00 H new HETATM 0 HG12 IIL A 2 -3.211 0.774 -5.295 1.00 0.00 H new HETATM 0 HD13 IIL A 2 -2.336 -1.477 -4.660 1.00 0.00 H new HETATM 0 HD12 IIL A 2 -3.723 -1.697 -3.567 1.00 0.00 H new HETATM 0 HD11 IIL A 2 -3.984 -1.584 -5.324 1.00 0.00 H new HETATM 0 HB IIL A 2 -2.893 0.189 -2.316 1.00 0.00 H new HETATM 0 HA IIL A 2 -2.285 2.681 -2.235 1.00 0.00 H new HETATM 0 H2 IIL A 2 -4.546 1.851 -1.381 1.00 0.00 H new ATOM 29 N VAL A 3 -4.097 2.927 -4.981 1.00 0.00 N ATOM 30 CA VAL A 3 -4.174 3.677 -6.266 1.00 0.00 C ATOM 31 C VAL A 3 -4.294 5.175 -5.974 1.00 0.00 C ATOM 32 O VAL A 3 -3.738 5.999 -6.672 1.00 0.00 O ATOM 33 CB VAL A 3 -5.399 3.210 -7.052 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.580 4.094 -8.287 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.199 1.758 -7.490 1.00 0.00 C ATOM 0 H VAL A 3 -4.902 2.336 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.274 3.493 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.285 3.282 -6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.453 3.761 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.721 5.129 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.695 4.022 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.072 1.424 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.313 1.687 -8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.069 1.127 -6.611 1.00 0.00 H new ATOM 45 N GLU A 4 -5.016 5.533 -4.947 1.00 0.00 N ATOM 46 CA GLU A 4 -5.171 6.977 -4.612 1.00 0.00 C ATOM 47 C GLU A 4 -3.913 7.475 -3.899 1.00 0.00 C ATOM 48 O GLU A 4 -3.746 8.655 -3.665 1.00 0.00 O ATOM 49 CB GLU A 4 -6.378 7.159 -3.689 1.00 0.00 C ATOM 50 CG GLU A 4 -7.637 6.635 -4.382 1.00 0.00 C ATOM 51 CD GLU A 4 -8.861 7.375 -3.840 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.254 7.092 -2.721 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.384 8.216 -4.554 1.00 0.00 O ATOM 0 H GLU A 4 -5.505 4.888 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.321 7.546 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.217 6.624 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.501 8.212 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.559 6.779 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.741 5.564 -4.210 1.00 0.00 H new ATOM 60 N GLN A 5 -3.025 6.585 -3.547 1.00 0.00 N ATOM 61 CA GLN A 5 -1.783 7.012 -2.845 1.00 0.00 C ATOM 62 C GLN A 5 -0.610 7.024 -3.831 1.00 0.00 C ATOM 63 O GLN A 5 0.184 7.943 -3.850 1.00 0.00 O ATOM 64 CB GLN A 5 -1.489 6.042 -1.697 1.00 0.00 C ATOM 65 CG GLN A 5 -2.559 6.201 -0.613 1.00 0.00 C ATOM 66 CD GLN A 5 -2.243 5.272 0.560 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.718 4.192 0.372 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.545 5.647 1.775 1.00 0.00 N ATOM 0 H GLN A 5 -3.107 5.582 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.919 8.016 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.478 5.016 -2.066 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.501 6.241 -1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.594 7.236 -0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.542 5.967 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.986 6.553 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.340 5.034 2.564 1.00 0.00 H new ATOM 77 N CYS A 6 -0.496 6.016 -4.655 1.00 0.00 N ATOM 78 CA CYS A 6 0.627 5.983 -5.634 1.00 0.00 C ATOM 79 C CYS A 6 0.275 6.851 -6.844 1.00 0.00 C ATOM 80 O CYS A 6 1.123 7.177 -7.654 1.00 0.00 O ATOM 81 CB CYS A 6 0.876 4.544 -6.090 1.00 0.00 C ATOM 82 SG CYS A 6 1.461 3.561 -4.688 1.00 0.00 S ATOM 0 H CYS A 6 -1.130 5.218 -4.692 1.00 0.00 H new ATOM 0 HA CYS A 6 1.529 6.369 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.042 4.114 -6.492 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.613 4.528 -6.892 1.00 0.00 H new ATOM 87 N CYS A 7 -0.967 7.239 -6.969 1.00 0.00 N ATOM 88 CA CYS A 7 -1.363 8.097 -8.119 1.00 0.00 C ATOM 89 C CYS A 7 -1.497 9.540 -7.635 1.00 0.00 C ATOM 90 O CYS A 7 -1.353 10.476 -8.395 1.00 0.00 O ATOM 91 CB CYS A 7 -2.689 7.602 -8.708 1.00 0.00 C ATOM 92 SG CYS A 7 -2.979 8.377 -10.319 1.00 0.00 S ATOM 0 H CYS A 7 -1.721 6.999 -6.325 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.603 8.047 -8.899 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.666 6.518 -8.816 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.508 7.838 -8.029 1.00 0.00 H new ATOM 97 N THR A 8 -1.738 9.728 -6.366 1.00 0.00 N ATOM 98 CA THR A 8 -1.841 11.112 -5.828 1.00 0.00 C ATOM 99 C THR A 8 -0.421 11.647 -5.634 1.00 0.00 C ATOM 100 O THR A 8 -0.192 12.837 -5.553 1.00 0.00 O ATOM 101 CB THR A 8 -2.573 11.091 -4.482 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.815 12.424 -4.058 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.713 10.370 -3.443 1.00 0.00 C ATOM 0 H THR A 8 -1.868 8.984 -5.681 1.00 0.00 H new ATOM 0 HA THR A 8 -2.397 11.748 -6.517 1.00 0.00 H new ATOM 0 HB THR A 8 -3.522 10.566 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.285 12.414 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.234 10.356 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.528 9.347 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.763 10.893 -3.331 1.00 0.00 H new ATOM 111 N SER A 9 0.534 10.757 -5.568 1.00 0.00 N ATOM 112 CA SER A 9 1.952 11.169 -5.390 1.00 0.00 C ATOM 113 C SER A 9 2.844 9.975 -5.734 1.00 0.00 C ATOM 114 O SER A 9 2.410 9.033 -6.368 1.00 0.00 O ATOM 115 CB SER A 9 2.186 11.584 -3.938 1.00 0.00 C ATOM 116 OG SER A 9 1.316 12.661 -3.612 1.00 0.00 O ATOM 0 H SER A 9 0.387 9.750 -5.631 1.00 0.00 H new ATOM 0 HA SER A 9 2.185 12.013 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.004 10.740 -3.273 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.224 11.884 -3.796 1.00 0.00 H new ATOM 0 HG SER A 9 1.016 13.100 -4.435 1.00 0.00 H new ATOM 122 N ILE A 10 4.080 9.990 -5.321 1.00 0.00 N ATOM 123 CA ILE A 10 4.971 8.837 -5.631 1.00 0.00 C ATOM 124 C ILE A 10 5.106 7.955 -4.387 1.00 0.00 C ATOM 125 O ILE A 10 5.443 8.422 -3.317 1.00 0.00 O ATOM 126 CB ILE A 10 6.354 9.344 -6.056 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.286 9.869 -7.495 1.00 0.00 C ATOM 128 CG2 ILE A 10 7.365 8.194 -5.980 1.00 0.00 C ATOM 129 CD1 ILE A 10 7.704 10.017 -8.055 1.00 0.00 C ATOM 0 H ILE A 10 4.510 10.745 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 10 4.540 8.257 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 10 6.667 10.148 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.709 9.184 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.773 10.830 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.349 8.554 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.414 7.819 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.052 7.390 -6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.654 10.390 -9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.267 10.719 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.202 9.047 -8.047 1.00 0.00 H new ATOM 141 N CYS A 11 4.855 6.682 -4.521 1.00 0.00 N ATOM 142 CA CYS A 11 4.977 5.770 -3.350 1.00 0.00 C ATOM 143 C CYS A 11 6.159 4.824 -3.572 1.00 0.00 C ATOM 144 O CYS A 11 7.075 5.127 -4.311 1.00 0.00 O ATOM 145 CB CYS A 11 3.687 4.961 -3.192 1.00 0.00 C ATOM 146 SG CYS A 11 3.452 3.905 -4.643 1.00 0.00 S ATOM 0 H CYS A 11 4.570 6.234 -5.392 1.00 0.00 H new ATOM 0 HA CYS A 11 5.143 6.354 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.736 4.351 -2.290 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.836 5.633 -3.077 1.00 0.00 H new ATOM 151 N SER A 12 6.153 3.681 -2.942 1.00 0.00 N ATOM 152 CA SER A 12 7.286 2.730 -3.126 1.00 0.00 C ATOM 153 C SER A 12 6.746 1.334 -3.446 1.00 0.00 C ATOM 154 O SER A 12 5.758 0.896 -2.891 1.00 0.00 O ATOM 155 CB SER A 12 8.114 2.671 -1.843 1.00 0.00 C ATOM 156 OG SER A 12 7.323 3.118 -0.751 1.00 0.00 O ATOM 0 H SER A 12 5.416 3.366 -2.311 1.00 0.00 H new ATOM 0 HA SER A 12 7.911 3.072 -3.951 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.457 1.652 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.003 3.294 -1.942 1.00 0.00 H new ATOM 0 HG SER A 12 7.852 3.079 0.073 1.00 0.00 H new ATOM 162 N LEU A 13 7.397 0.630 -4.331 1.00 0.00 N ATOM 163 CA LEU A 13 6.934 -0.740 -4.684 1.00 0.00 C ATOM 164 C LEU A 13 6.980 -1.620 -3.433 1.00 0.00 C ATOM 165 O LEU A 13 6.375 -2.674 -3.380 1.00 0.00 O ATOM 166 CB LEU A 13 7.851 -1.321 -5.760 1.00 0.00 C ATOM 167 CG LEU A 13 9.254 -1.512 -5.191 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.848 -2.802 -5.751 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.135 -0.328 -5.592 1.00 0.00 C ATOM 0 H LEU A 13 8.231 0.946 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 13 5.913 -0.702 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.457 -2.275 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.885 -0.654 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 13 9.204 -1.571 -4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.851 -2.945 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.219 -3.646 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.899 -2.737 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.137 -0.466 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.190 -0.267 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.707 0.594 -5.198 1.00 0.00 H new ATOM 181 N TYR A 14 7.683 -1.191 -2.418 1.00 0.00 N ATOM 182 CA TYR A 14 7.748 -2.001 -1.174 1.00 0.00 C ATOM 183 C TYR A 14 6.354 -2.045 -0.568 1.00 0.00 C ATOM 184 O TYR A 14 5.903 -3.061 -0.076 1.00 0.00 O ATOM 185 CB TYR A 14 8.730 -1.366 -0.188 1.00 0.00 C ATOM 186 CG TYR A 14 10.003 -2.186 -0.157 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.951 -3.549 0.172 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.234 -1.588 -0.462 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.126 -4.310 0.197 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.409 -2.351 -0.436 1.00 0.00 C ATOM 191 CZ TYR A 14 12.355 -3.711 -0.106 1.00 0.00 C ATOM 192 OH TYR A 14 13.513 -4.461 -0.082 1.00 0.00 O ATOM 0 H TYR A 14 8.211 -0.319 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 14 8.093 -3.011 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.951 -0.341 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.287 -1.321 0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.004 -4.012 0.406 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.277 -0.539 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.085 -5.359 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.357 -1.890 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 14 14.276 -3.893 -0.318 1.00 0.00 H new ATOM 202 N GLN A 15 5.658 -0.951 -0.635 1.00 0.00 N ATOM 203 CA GLN A 15 4.273 -0.916 -0.103 1.00 0.00 C ATOM 204 C GLN A 15 3.370 -1.619 -1.112 1.00 0.00 C ATOM 205 O GLN A 15 2.297 -2.090 -0.790 1.00 0.00 O ATOM 206 CB GLN A 15 3.821 0.536 0.070 1.00 0.00 C ATOM 207 CG GLN A 15 4.626 1.193 1.191 1.00 0.00 C ATOM 208 CD GLN A 15 3.904 2.457 1.660 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.958 3.480 1.007 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.222 2.429 2.773 1.00 0.00 N ATOM 0 H GLN A 15 5.990 -0.074 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 15 4.224 -1.412 0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.961 1.085 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.757 0.571 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.745 0.499 2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.627 1.442 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.176 1.570 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.735 3.266 3.094 1.00 0.00 H new ATOM 219 N LEU A 16 3.817 -1.698 -2.336 1.00 0.00 N ATOM 220 CA LEU A 16 3.022 -2.373 -3.391 1.00 0.00 C ATOM 221 C LEU A 16 2.939 -3.864 -3.069 1.00 0.00 C ATOM 222 O LEU A 16 2.075 -4.571 -3.549 1.00 0.00 O ATOM 223 CB LEU A 16 3.726 -2.172 -4.734 1.00 0.00 C ATOM 224 CG LEU A 16 3.133 -0.959 -5.451 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.850 -0.755 -6.786 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.643 -1.198 -5.707 1.00 0.00 C ATOM 0 H LEU A 16 4.710 -1.318 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 16 2.016 -1.957 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.795 -2.027 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.613 -3.063 -5.352 1.00 0.00 H new ATOM 0 HG LEU A 16 3.260 -0.072 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.427 0.110 -7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.912 -0.587 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.722 -1.642 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.218 -0.334 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.518 -2.085 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.130 -1.346 -4.757 1.00 0.00 H new ATOM 238 N GLU A 17 3.835 -4.345 -2.252 1.00 0.00 N ATOM 239 CA GLU A 17 3.819 -5.788 -1.883 1.00 0.00 C ATOM 240 C GLU A 17 2.690 -6.038 -0.883 1.00 0.00 C ATOM 241 O GLU A 17 2.169 -7.130 -0.775 1.00 0.00 O ATOM 242 CB GLU A 17 5.157 -6.169 -1.245 1.00 0.00 C ATOM 243 CG GLU A 17 6.186 -6.452 -2.341 1.00 0.00 C ATOM 244 CD GLU A 17 7.301 -7.335 -1.779 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.986 -8.251 -1.037 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.450 -7.081 -2.099 1.00 0.00 O ATOM 0 H GLU A 17 4.581 -3.798 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 17 3.660 -6.392 -2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.508 -5.362 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.033 -7.048 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.707 -6.947 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.602 -5.516 -2.714 1.00 0.00 H new ATOM 253 N ASN A 18 2.308 -5.027 -0.160 1.00 0.00 N ATOM 254 CA ASN A 18 1.210 -5.188 0.830 1.00 0.00 C ATOM 255 C ASN A 18 -0.132 -5.241 0.095 1.00 0.00 C ATOM 256 O ASN A 18 -1.177 -5.373 0.700 1.00 0.00 O ATOM 257 CB ASN A 18 1.223 -4.000 1.791 1.00 0.00 C ATOM 258 CG ASN A 18 1.940 -4.397 3.083 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.313 -4.810 4.037 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.240 -4.289 3.153 1.00 0.00 N ATOM 0 H ASN A 18 2.710 -4.091 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 18 1.351 -6.112 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.726 -3.151 1.329 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.203 -3.685 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.728 -4.552 4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.767 -3.942 2.351 1.00 0.00 H new ATOM 267 N TYR A 19 -0.109 -5.141 -1.208 1.00 0.00 N ATOM 268 CA TYR A 19 -1.372 -5.188 -1.987 1.00 0.00 C ATOM 269 C TYR A 19 -1.341 -6.414 -2.897 1.00 0.00 C ATOM 270 O TYR A 19 -1.905 -6.421 -3.973 1.00 0.00 O ATOM 271 CB TYR A 19 -1.489 -3.919 -2.831 1.00 0.00 C ATOM 272 CG TYR A 19 -1.452 -2.711 -1.926 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.621 -2.279 -1.285 1.00 0.00 C ATOM 274 CD2 TYR A 19 -0.248 -2.022 -1.725 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.585 -1.159 -0.443 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.212 -0.902 -0.883 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.381 -0.471 -0.242 1.00 0.00 C ATOM 278 OH TYR A 19 -1.346 0.631 0.588 1.00 0.00 O ATOM 0 H TYR A 19 0.738 -5.028 -1.765 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.228 -5.252 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.673 -3.872 -3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.418 -3.932 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.549 -2.809 -1.440 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.653 -2.354 -2.219 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.486 -0.826 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.716 -0.372 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.434 0.989 0.618 1.00 0.00 H new ATOM 288 N CYS A 20 -0.676 -7.451 -2.466 1.00 0.00 N ATOM 289 CA CYS A 20 -0.591 -8.683 -3.295 1.00 0.00 C ATOM 290 C CYS A 20 -1.832 -9.550 -3.054 1.00 0.00 C ATOM 291 O CYS A 20 -2.885 -9.305 -3.607 1.00 0.00 O ATOM 292 CB CYS A 20 0.673 -9.456 -2.913 1.00 0.00 C ATOM 293 SG CYS A 20 2.129 -8.592 -3.552 1.00 0.00 S ATOM 0 H CYS A 20 -0.187 -7.496 -1.572 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.547 -8.417 -4.351 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.740 -9.550 -1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.630 -10.467 -3.319 1.00 0.00 H new ATOM 298 N ASN A 21 -1.719 -10.558 -2.234 1.00 0.00 N ATOM 299 CA ASN A 21 -2.894 -11.434 -1.964 1.00 0.00 C ATOM 300 C ASN A 21 -2.635 -12.257 -0.699 1.00 0.00 C ATOM 301 O ASN A 21 -1.767 -11.871 0.066 1.00 0.00 O ATOM 302 CB ASN A 21 -3.113 -12.376 -3.149 1.00 0.00 C ATOM 303 CG ASN A 21 -4.235 -11.831 -4.034 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.188 -11.258 -3.542 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.163 -11.985 -5.327 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.308 -13.259 -0.520 1.00 0.00 O ATOM 0 H ASN A 21 -0.864 -10.813 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.782 -10.818 -1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.193 -12.471 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.369 -13.373 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.906 -11.625 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.364 -12.466 -5.740 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.535 3.048 -8.110 1.00 0.00 N ATOM 315 CA PHE B 1 11.634 2.482 -7.279 1.00 0.00 C ATOM 316 C PHE B 1 12.084 3.524 -6.252 1.00 0.00 C ATOM 317 O PHE B 1 12.036 3.294 -5.059 1.00 0.00 O ATOM 318 CB PHE B 1 12.815 2.109 -8.177 1.00 0.00 C ATOM 319 CG PHE B 1 13.220 0.673 -7.914 1.00 0.00 C ATOM 320 CD1 PHE B 1 13.335 0.203 -6.596 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.481 -0.193 -8.987 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.710 -1.126 -6.354 1.00 0.00 C ATOM 323 CE2 PHE B 1 13.855 -1.521 -8.743 1.00 0.00 C ATOM 324 CZ PHE B 1 13.970 -1.987 -7.428 1.00 0.00 C ATOM 0 H1 PHE B 1 10.228 2.341 -8.808 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.733 3.301 -7.499 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.876 3.897 -8.604 1.00 0.00 H new ATOM 0 HA PHE B 1 11.276 1.591 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.542 2.234 -9.225 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.656 2.776 -7.985 1.00 0.00 H new ATOM 0 HD1 PHE B 1 13.134 0.866 -5.768 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.393 0.165 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.798 -1.486 -5.340 1.00 0.00 H new ATOM 0 HE2 PHE B 1 14.055 -2.186 -9.570 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.259 -3.011 -7.241 1.00 0.00 H new ATOM 336 N VAL B 2 12.524 4.666 -6.703 1.00 0.00 N ATOM 337 CA VAL B 2 12.980 5.717 -5.747 1.00 0.00 C ATOM 338 C VAL B 2 12.191 7.010 -5.970 1.00 0.00 C ATOM 339 O VAL B 2 11.876 7.723 -5.038 1.00 0.00 O ATOM 340 CB VAL B 2 14.473 5.984 -5.955 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.942 7.052 -4.966 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.257 4.691 -5.715 1.00 0.00 C ATOM 0 H VAL B 2 12.588 4.918 -7.689 1.00 0.00 H new ATOM 0 HA VAL B 2 12.809 5.369 -4.728 1.00 0.00 H new ATOM 0 HB VAL B 2 14.643 6.332 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.005 7.243 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.382 7.972 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.774 6.703 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL B 2 16.321 4.878 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.087 4.346 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL B 2 14.922 3.927 -6.417 1.00 0.00 H new ATOM 352 N ASN B 3 11.870 7.316 -7.193 1.00 0.00 N ATOM 353 CA ASN B 3 11.103 8.560 -7.478 1.00 0.00 C ATOM 354 C ASN B 3 10.275 8.365 -8.748 1.00 0.00 C ATOM 355 O ASN B 3 10.199 9.238 -9.591 1.00 0.00 O ATOM 356 CB ASN B 3 12.072 9.728 -7.674 1.00 0.00 C ATOM 357 CG ASN B 3 12.136 10.560 -6.391 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.225 11.859 -6.475 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 12.106 10.023 -5.302 1.00 0.00 N flip ATOM 0 H ASN B 3 12.106 6.756 -8.012 1.00 0.00 H new ATOM 0 HA ASN B 3 10.441 8.778 -6.640 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.064 9.353 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.745 10.350 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.036 9.008 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.150 10.588 -4.454 1.00 0.00 H new ATOM 366 N GLN B 4 9.649 7.229 -8.892 1.00 0.00 N ATOM 367 CA GLN B 4 8.822 6.981 -10.103 1.00 0.00 C ATOM 368 C GLN B 4 7.361 7.320 -9.801 1.00 0.00 C ATOM 369 O GLN B 4 6.938 7.330 -8.664 1.00 0.00 O ATOM 370 CB GLN B 4 8.930 5.509 -10.503 1.00 0.00 C ATOM 371 CG GLN B 4 9.899 5.368 -11.677 1.00 0.00 C ATOM 372 CD GLN B 4 9.277 4.458 -12.737 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.810 3.379 -12.429 1.00 0.00 O ATOM 374 NE2 GLN B 4 9.249 4.849 -13.982 1.00 0.00 N ATOM 0 H GLN B 4 9.676 6.461 -8.221 1.00 0.00 H new ATOM 0 HA GLN B 4 9.180 7.607 -10.921 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.278 4.916 -9.657 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.949 5.124 -10.780 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.117 6.347 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN B 4 10.846 4.952 -11.334 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.641 5.754 -14.241 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.835 4.249 -14.696 1.00 0.00 H new ATOM 383 N HIS B 5 6.587 7.597 -10.812 1.00 0.00 N ATOM 384 CA HIS B 5 5.157 7.935 -10.581 1.00 0.00 C ATOM 385 C HIS B 5 4.285 6.719 -10.898 1.00 0.00 C ATOM 386 O HIS B 5 4.506 6.019 -11.865 1.00 0.00 O ATOM 387 CB HIS B 5 4.758 9.100 -11.486 1.00 0.00 C ATOM 388 CG HIS B 5 3.776 9.982 -10.767 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.838 9.459 -9.904 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.595 11.338 -10.795 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.124 10.494 -9.438 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.551 11.664 -9.955 1.00 0.00 N ATOM 0 H HIS B 5 6.883 7.604 -11.788 1.00 0.00 H new ATOM 0 HA HIS B 5 5.015 8.219 -9.538 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.641 9.675 -11.767 1.00 0.00 H new ATOM 0 HB3 HIS B 5 4.316 8.723 -12.408 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.174 12.038 -11.379 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.308 10.402 -8.736 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.180 12.595 -9.765 1.00 0.00 H new ATOM 400 N LEU B 6 3.295 6.463 -10.087 1.00 0.00 N ATOM 401 CA LEU B 6 2.407 5.293 -10.337 1.00 0.00 C ATOM 402 C LEU B 6 0.969 5.783 -10.495 1.00 0.00 C ATOM 403 O LEU B 6 0.574 6.744 -9.877 1.00 0.00 O ATOM 404 CB LEU B 6 2.486 4.340 -9.143 1.00 0.00 C ATOM 405 CG LEU B 6 3.557 3.276 -9.389 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.298 2.585 -10.727 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.932 3.943 -9.414 1.00 0.00 C ATOM 0 H LEU B 6 3.063 7.015 -9.261 1.00 0.00 H new ATOM 0 HA LEU B 6 2.722 4.775 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.719 4.899 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.519 3.863 -8.984 1.00 0.00 H new ATOM 0 HG LEU B 6 3.524 2.534 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.063 1.828 -10.899 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.316 2.112 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.330 3.322 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.699 3.189 -9.589 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.963 4.684 -10.213 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.116 4.433 -8.458 1.00 0.00 H new ATOM 419 N CYS B 7 0.181 5.130 -11.305 1.00 0.00 N ATOM 420 CA CYS B 7 -1.235 5.573 -11.477 1.00 0.00 C ATOM 421 C CYS B 7 -2.040 4.454 -12.163 1.00 0.00 C ATOM 422 O CYS B 7 -2.361 3.455 -11.552 1.00 0.00 O ATOM 423 CB CYS B 7 -1.273 6.858 -12.319 1.00 0.00 C ATOM 424 SG CYS B 7 -1.185 8.313 -11.245 1.00 0.00 S ATOM 0 H CYS B 7 0.453 4.314 -11.853 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.679 5.780 -10.503 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.440 6.865 -13.022 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.189 6.888 -12.909 1.00 0.00 H new ATOM 429 N GLY B 8 -2.374 4.600 -13.422 1.00 0.00 N ATOM 430 CA GLY B 8 -3.156 3.533 -14.107 1.00 0.00 C ATOM 431 C GLY B 8 -2.239 2.357 -14.441 1.00 0.00 C ATOM 432 O GLY B 8 -1.641 1.759 -13.571 1.00 0.00 O ATOM 0 H GLY B 8 -2.139 5.408 -13.999 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.973 3.199 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.606 3.927 -15.019 1.00 0.00 H new ATOM 436 N SER B 9 -2.129 2.019 -15.697 1.00 0.00 N ATOM 437 CA SER B 9 -1.254 0.879 -16.089 1.00 0.00 C ATOM 438 C SER B 9 0.062 0.959 -15.316 1.00 0.00 C ATOM 439 O SER B 9 0.691 -0.041 -15.040 1.00 0.00 O ATOM 440 CB SER B 9 -0.969 0.942 -17.590 1.00 0.00 C ATOM 441 OG SER B 9 -1.900 0.119 -18.279 1.00 0.00 O ATOM 0 H SER B 9 -2.608 2.484 -16.469 1.00 0.00 H new ATOM 0 HA SER B 9 -1.757 -0.060 -15.857 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.044 1.970 -17.943 1.00 0.00 H new ATOM 0 HB3 SER B 9 0.049 0.609 -17.793 1.00 0.00 H new ATOM 0 HG SER B 9 -1.721 0.158 -19.242 1.00 0.00 H new ATOM 447 N ASP B 10 0.482 2.141 -14.958 1.00 0.00 N ATOM 448 CA ASP B 10 1.755 2.274 -14.198 1.00 0.00 C ATOM 449 C ASP B 10 1.605 1.596 -12.836 1.00 0.00 C ATOM 450 O ASP B 10 2.409 0.771 -12.454 1.00 0.00 O ATOM 451 CB ASP B 10 2.085 3.754 -13.995 1.00 0.00 C ATOM 452 CG ASP B 10 2.781 4.298 -15.244 1.00 0.00 C ATOM 453 OD1 ASP B 10 3.590 3.580 -15.809 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.493 5.423 -15.615 1.00 0.00 O ATOM 0 H ASP B 10 0.000 3.017 -15.158 1.00 0.00 H new ATOM 0 HA ASP B 10 2.561 1.799 -14.758 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.173 4.317 -13.800 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.729 3.878 -13.124 1.00 0.00 H new ATOM 459 N LEU B 11 0.586 1.941 -12.092 1.00 0.00 N ATOM 460 CA LEU B 11 0.407 1.312 -10.753 1.00 0.00 C ATOM 461 C LEU B 11 -0.037 -0.143 -10.935 1.00 0.00 C ATOM 462 O LEU B 11 0.255 -0.997 -10.122 1.00 0.00 O ATOM 463 CB LEU B 11 -0.662 2.084 -9.957 1.00 0.00 C ATOM 464 CG LEU B 11 -0.333 2.165 -8.447 1.00 0.00 C ATOM 465 CD1 LEU B 11 -1.572 1.777 -7.641 1.00 0.00 C ATOM 466 CD2 LEU B 11 0.811 1.221 -8.057 1.00 0.00 C ATOM 0 H LEU B 11 -0.124 2.626 -12.352 1.00 0.00 H new ATOM 0 HA LEU B 11 1.350 1.341 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.753 3.093 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.629 1.599 -10.089 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.025 3.188 -8.232 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.345 1.832 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.387 2.462 -7.875 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.868 0.760 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.008 1.311 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU B 11 0.530 0.194 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.709 1.487 -8.615 1.00 0.00 H new ATOM 478 N VAL B 12 -0.735 -0.434 -11.999 1.00 0.00 N ATOM 479 CA VAL B 12 -1.186 -1.835 -12.229 1.00 0.00 C ATOM 480 C VAL B 12 -0.006 -2.657 -12.750 1.00 0.00 C ATOM 481 O VAL B 12 0.347 -3.675 -12.189 1.00 0.00 O ATOM 482 CB VAL B 12 -2.331 -1.840 -13.250 1.00 0.00 C ATOM 483 CG1 VAL B 12 -2.460 -3.224 -13.898 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.643 -1.497 -12.537 1.00 0.00 C ATOM 0 H VAL B 12 -1.012 0.236 -12.717 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.545 -2.272 -11.297 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.119 -1.102 -14.024 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.276 -3.213 -14.620 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.529 -3.476 -14.406 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.666 -3.968 -13.129 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.460 -1.499 -13.258 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.841 -2.238 -11.762 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.563 -0.510 -12.083 1.00 0.00 H new ATOM 494 N GLU B 13 0.613 -2.221 -13.813 1.00 0.00 N ATOM 495 CA GLU B 13 1.773 -2.982 -14.350 1.00 0.00 C ATOM 496 C GLU B 13 2.759 -3.235 -13.211 1.00 0.00 C ATOM 497 O GLU B 13 3.539 -4.166 -13.242 1.00 0.00 O ATOM 498 CB GLU B 13 2.456 -2.176 -15.456 1.00 0.00 C ATOM 499 CG GLU B 13 1.681 -2.356 -16.762 1.00 0.00 C ATOM 500 CD GLU B 13 2.621 -2.893 -17.843 1.00 0.00 C ATOM 501 OE1 GLU B 13 2.768 -4.102 -17.924 1.00 0.00 O ATOM 502 OE2 GLU B 13 3.177 -2.088 -18.570 1.00 0.00 O ATOM 0 H GLU B 13 0.367 -1.376 -14.329 1.00 0.00 H new ATOM 0 HA GLU B 13 1.434 -3.930 -14.767 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.493 -1.121 -15.184 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.486 -2.509 -15.582 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.850 -3.046 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.253 -1.405 -17.077 1.00 0.00 H new ATOM 509 N ALA B 14 2.716 -2.414 -12.197 1.00 0.00 N ATOM 510 CA ALA B 14 3.634 -2.604 -11.041 1.00 0.00 C ATOM 511 C ALA B 14 3.162 -3.809 -10.228 1.00 0.00 C ATOM 512 O ALA B 14 3.841 -4.813 -10.139 1.00 0.00 O ATOM 513 CB ALA B 14 3.613 -1.352 -10.162 1.00 0.00 C ATOM 0 H ALA B 14 2.083 -1.618 -12.120 1.00 0.00 H new ATOM 0 HA ALA B 14 4.650 -2.774 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.285 -1.491 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.938 -0.492 -10.747 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.600 -1.181 -9.797 1.00 0.00 H new ATOM 519 N LEU B 15 1.996 -3.726 -9.644 1.00 0.00 N ATOM 520 CA LEU B 15 1.482 -4.876 -8.852 1.00 0.00 C ATOM 521 C LEU B 15 1.676 -6.159 -9.663 1.00 0.00 C ATOM 522 O LEU B 15 2.151 -7.160 -9.164 1.00 0.00 O ATOM 523 CB LEU B 15 -0.006 -4.672 -8.569 1.00 0.00 C ATOM 524 CG LEU B 15 -0.186 -3.526 -7.572 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.516 -2.819 -7.840 1.00 0.00 C ATOM 526 CD2 LEU B 15 -0.185 -4.086 -6.148 1.00 0.00 C ATOM 0 H LEU B 15 1.381 -2.913 -9.682 1.00 0.00 H new ATOM 0 HA LEU B 15 2.022 -4.949 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.535 -4.448 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.439 -5.588 -8.168 1.00 0.00 H new ATOM 0 HG LEU B 15 0.632 -2.815 -7.685 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.644 -2.003 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.518 -2.421 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.335 -3.529 -7.727 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.313 -3.270 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.003 -4.797 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.762 -4.590 -5.956 1.00 0.00 H new ATOM 538 N TYR B 16 1.312 -6.127 -10.915 1.00 0.00 N ATOM 539 CA TYR B 16 1.471 -7.332 -11.777 1.00 0.00 C ATOM 540 C TYR B 16 2.897 -7.875 -11.642 1.00 0.00 C ATOM 541 O TYR B 16 3.105 -9.057 -11.451 1.00 0.00 O ATOM 542 CB TYR B 16 1.216 -6.945 -13.235 1.00 0.00 C ATOM 543 CG TYR B 16 0.179 -7.871 -13.835 1.00 0.00 C ATOM 544 CD1 TYR B 16 0.211 -9.243 -13.546 1.00 0.00 C ATOM 545 CD2 TYR B 16 -0.814 -7.361 -14.685 1.00 0.00 C ATOM 546 CE1 TYR B 16 -0.746 -10.101 -14.103 1.00 0.00 C ATOM 547 CE2 TYR B 16 -1.770 -8.220 -15.244 1.00 0.00 C ATOM 548 CZ TYR B 16 -1.735 -9.589 -14.953 1.00 0.00 C ATOM 549 OH TYR B 16 -2.676 -10.435 -15.504 1.00 0.00 O ATOM 0 H TYR B 16 0.909 -5.314 -11.381 1.00 0.00 H new ATOM 0 HA TYR B 16 0.759 -8.097 -11.467 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.872 -5.912 -13.292 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.143 -7.004 -13.805 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.975 -9.639 -12.893 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.842 -6.305 -14.909 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.721 -11.157 -13.877 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.533 -7.826 -15.899 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.289 -9.919 -16.068 1.00 0.00 H new ATOM 559 N LEU B 17 3.880 -7.023 -11.748 1.00 0.00 N ATOM 560 CA LEU B 17 5.292 -7.490 -11.635 1.00 0.00 C ATOM 561 C LEU B 17 5.705 -7.533 -10.164 1.00 0.00 C ATOM 562 O LEU B 17 6.638 -8.216 -9.790 1.00 0.00 O ATOM 563 CB LEU B 17 6.209 -6.528 -12.393 1.00 0.00 C ATOM 564 CG LEU B 17 6.666 -7.178 -13.699 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.245 -6.302 -14.880 1.00 0.00 C ATOM 566 CD2 LEU B 17 8.189 -7.322 -13.689 1.00 0.00 C ATOM 0 H LEU B 17 3.766 -6.022 -11.908 1.00 0.00 H new ATOM 0 HA LEU B 17 5.376 -8.489 -12.063 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.682 -5.597 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.073 -6.274 -11.779 1.00 0.00 H new ATOM 0 HG LEU B 17 6.207 -8.162 -13.796 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.571 -6.765 -15.811 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.160 -6.198 -14.887 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.704 -5.318 -14.785 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.517 -7.785 -14.620 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.647 -6.338 -13.593 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.490 -7.946 -12.847 1.00 0.00 H new ATOM 578 N VAL B 18 5.019 -6.810 -9.326 1.00 0.00 N ATOM 579 CA VAL B 18 5.374 -6.810 -7.880 1.00 0.00 C ATOM 580 C VAL B 18 5.118 -8.201 -7.300 1.00 0.00 C ATOM 581 O VAL B 18 6.019 -8.863 -6.825 1.00 0.00 O ATOM 582 CB VAL B 18 4.511 -5.786 -7.146 1.00 0.00 C ATOM 583 CG1 VAL B 18 4.742 -5.907 -5.639 1.00 0.00 C ATOM 584 CG2 VAL B 18 4.891 -4.379 -7.610 1.00 0.00 C ATOM 0 H VAL B 18 4.227 -6.219 -9.579 1.00 0.00 H new ATOM 0 HA VAL B 18 6.426 -6.551 -7.760 1.00 0.00 H new ATOM 0 HB VAL B 18 3.460 -5.972 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.125 -5.176 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.473 -6.910 -5.309 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.793 -5.721 -5.416 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.277 -3.645 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.942 -4.195 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.725 -4.293 -8.684 1.00 0.00 H new ATOM 594 N CYS B 19 3.893 -8.649 -7.340 1.00 0.00 N ATOM 595 CA CYS B 19 3.575 -9.999 -6.798 1.00 0.00 C ATOM 596 C CYS B 19 3.676 -11.027 -7.926 1.00 0.00 C ATOM 597 O CYS B 19 4.520 -11.901 -7.911 1.00 0.00 O ATOM 598 CB CYS B 19 2.151 -10.009 -6.229 1.00 0.00 C ATOM 599 SG CYS B 19 1.755 -8.386 -5.526 1.00 0.00 S ATOM 0 H CYS B 19 3.099 -8.138 -7.725 1.00 0.00 H new ATOM 0 HA CYS B 19 4.280 -10.247 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.438 -10.258 -7.015 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.062 -10.779 -5.462 1.00 0.00 H new ATOM 604 N GLY B 20 2.825 -10.924 -8.911 1.00 0.00 N ATOM 605 CA GLY B 20 2.873 -11.889 -10.046 1.00 0.00 C ATOM 606 C GLY B 20 2.466 -13.282 -9.561 1.00 0.00 C ATOM 607 O GLY B 20 1.490 -13.846 -10.015 1.00 0.00 O ATOM 0 H GLY B 20 2.098 -10.212 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.204 -11.562 -10.842 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.878 -11.920 -10.467 1.00 0.00 H new ATOM 611 N GLU B 21 3.208 -13.844 -8.646 1.00 0.00 N ATOM 612 CA GLU B 21 2.864 -15.204 -8.141 1.00 0.00 C ATOM 613 C GLU B 21 1.537 -15.151 -7.378 1.00 0.00 C ATOM 614 O GLU B 21 0.526 -15.638 -7.842 1.00 0.00 O ATOM 615 CB GLU B 21 3.971 -15.698 -7.207 1.00 0.00 C ATOM 616 CG GLU B 21 3.819 -17.205 -6.983 1.00 0.00 C ATOM 617 CD GLU B 21 5.134 -17.781 -6.455 1.00 0.00 C ATOM 618 OE1 GLU B 21 6.163 -17.497 -7.047 1.00 0.00 O ATOM 619 OE2 GLU B 21 5.090 -18.495 -5.468 1.00 0.00 O ATOM 0 H GLU B 21 4.036 -13.421 -8.227 1.00 0.00 H new ATOM 0 HA GLU B 21 2.768 -15.888 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.948 -15.481 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.919 -15.171 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.015 -17.398 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.544 -17.696 -7.917 1.00 0.00 H new ATOM 626 N ARG B 22 1.533 -14.567 -6.211 1.00 0.00 N ATOM 627 CA ARG B 22 0.272 -14.487 -5.420 1.00 0.00 C ATOM 628 C ARG B 22 -0.803 -13.770 -6.237 1.00 0.00 C ATOM 629 O ARG B 22 -1.964 -14.128 -6.204 1.00 0.00 O ATOM 630 CB ARG B 22 0.530 -13.712 -4.128 1.00 0.00 C ATOM 631 CG ARG B 22 1.641 -14.399 -3.335 1.00 0.00 C ATOM 632 CD ARG B 22 2.001 -13.546 -2.118 1.00 0.00 C ATOM 633 NE ARG B 22 2.368 -14.434 -0.982 1.00 0.00 N ATOM 634 CZ ARG B 22 2.419 -13.956 0.230 1.00 0.00 C ATOM 635 NH1 ARG B 22 2.746 -12.707 0.426 1.00 0.00 N ATOM 636 NH2 ARG B 22 2.142 -14.724 1.248 1.00 0.00 N ATOM 0 H ARG B 22 2.349 -14.142 -5.771 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.068 -15.494 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.814 -12.685 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.381 -13.665 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.315 -15.389 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.519 -14.540 -3.966 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.832 -12.883 -2.358 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.158 -12.913 -1.841 1.00 0.00 H new ATOM 0 HE ARG B 22 2.580 -15.417 -1.151 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.961 -12.105 -0.369 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.786 -12.333 1.374 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.885 -15.699 1.096 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.182 -14.349 2.196 1.00 0.00 H new ATOM 650 N GLY B 23 -0.428 -12.756 -6.968 1.00 0.00 N ATOM 651 CA GLY B 23 -1.430 -12.013 -7.783 1.00 0.00 C ATOM 652 C GLY B 23 -1.591 -10.599 -7.224 1.00 0.00 C ATOM 653 O GLY B 23 -0.650 -10.008 -6.733 1.00 0.00 O ATOM 0 H GLY B 23 0.529 -12.410 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.109 -11.970 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.387 -12.534 -7.766 1.00 0.00 H new ATOM 657 N PHE B 24 -2.780 -10.059 -7.283 1.00 0.00 N ATOM 658 CA PHE B 24 -3.005 -8.683 -6.744 1.00 0.00 C ATOM 659 C PHE B 24 -4.448 -8.247 -7.027 1.00 0.00 C ATOM 660 O PHE B 24 -5.130 -8.818 -7.855 1.00 0.00 O ATOM 661 CB PHE B 24 -2.006 -7.692 -7.385 1.00 0.00 C ATOM 662 CG PHE B 24 -2.600 -7.031 -8.625 1.00 0.00 C ATOM 663 CD1 PHE B 24 -2.635 -7.719 -9.847 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.117 -5.723 -8.550 1.00 0.00 C ATOM 665 CE1 PHE B 24 -3.180 -7.108 -10.984 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.661 -5.118 -9.690 1.00 0.00 C ATOM 667 CZ PHE B 24 -3.693 -5.810 -10.905 1.00 0.00 C ATOM 0 H PHE B 24 -3.604 -10.509 -7.680 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.843 -8.688 -5.666 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.732 -6.927 -6.658 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.090 -8.218 -7.654 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.241 -8.722 -9.912 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.094 -5.186 -7.613 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.204 -7.641 -11.923 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.057 -4.115 -9.631 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.114 -5.342 -11.782 1.00 0.00 H new ATOM 677 N PHE B 25 -4.911 -7.235 -6.346 1.00 0.00 N ATOM 678 CA PHE B 25 -6.304 -6.754 -6.574 1.00 0.00 C ATOM 679 C PHE B 25 -6.392 -5.274 -6.199 1.00 0.00 C ATOM 680 O PHE B 25 -6.121 -4.890 -5.078 1.00 0.00 O ATOM 681 CB PHE B 25 -7.277 -7.559 -5.711 1.00 0.00 C ATOM 682 CG PHE B 25 -6.850 -7.487 -4.264 1.00 0.00 C ATOM 683 CD1 PHE B 25 -5.774 -8.263 -3.811 1.00 0.00 C ATOM 684 CD2 PHE B 25 -7.531 -6.646 -3.373 1.00 0.00 C ATOM 685 CE1 PHE B 25 -5.379 -8.197 -2.468 1.00 0.00 C ATOM 686 CE2 PHE B 25 -7.135 -6.580 -2.031 1.00 0.00 C ATOM 687 CZ PHE B 25 -6.059 -7.355 -1.578 1.00 0.00 C ATOM 0 H PHE B 25 -4.385 -6.720 -5.641 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.566 -6.884 -7.624 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.288 -7.167 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.300 -8.597 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.249 -8.912 -4.497 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.361 -6.049 -3.721 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.550 -8.795 -2.119 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.659 -5.931 -1.345 1.00 0.00 H new ATOM 0 HZ PHE B 25 -5.754 -7.303 -0.543 1.00 0.00 H new ATOM 697 N TYR B 26 -6.765 -4.438 -7.129 1.00 0.00 N ATOM 698 CA TYR B 26 -6.868 -2.983 -6.828 1.00 0.00 C ATOM 699 C TYR B 26 -7.590 -2.785 -5.494 1.00 0.00 C ATOM 700 O TYR B 26 -8.129 -3.715 -4.925 1.00 0.00 O ATOM 701 CB TYR B 26 -7.653 -2.285 -7.940 1.00 0.00 C ATOM 702 CG TYR B 26 -6.727 -1.384 -8.721 1.00 0.00 C ATOM 703 CD1 TYR B 26 -5.393 -1.760 -8.927 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.203 -0.174 -9.244 1.00 0.00 C ATOM 705 CE1 TYR B 26 -4.534 -0.925 -9.654 1.00 0.00 C ATOM 706 CE2 TYR B 26 -6.344 0.661 -9.971 1.00 0.00 C ATOM 707 CZ TYR B 26 -5.010 0.285 -10.177 1.00 0.00 C ATOM 708 OH TYR B 26 -4.164 1.108 -10.893 1.00 0.00 O ATOM 0 H TYR B 26 -7.003 -4.701 -8.085 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.867 -2.556 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.102 -3.025 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.470 -1.703 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.027 -2.693 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.232 0.115 -9.087 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.505 -1.214 -9.811 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.710 1.594 -10.373 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.524 1.243 -11.794 1.00 0.00 H new ATOM 718 N THR B 27 -7.609 -1.581 -4.991 1.00 0.00 N ATOM 719 CA THR B 27 -8.299 -1.324 -3.695 1.00 0.00 C ATOM 720 C THR B 27 -9.717 -0.818 -3.968 1.00 0.00 C ATOM 721 O THR B 27 -9.923 0.090 -4.748 1.00 0.00 O ATOM 722 CB THR B 27 -7.522 -0.269 -2.906 1.00 0.00 C ATOM 723 OG1 THR B 27 -7.019 0.714 -3.799 1.00 0.00 O ATOM 724 CG2 THR B 27 -6.358 -0.933 -2.168 1.00 0.00 C ATOM 0 H THR B 27 -7.176 -0.764 -5.422 1.00 0.00 H new ATOM 0 HA THR B 27 -8.347 -2.246 -3.116 1.00 0.00 H new ATOM 0 HB THR B 27 -8.186 0.203 -2.182 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.698 0.920 -4.475 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.806 -0.179 -1.607 1.00 0.00 H new ATOM 0 HG22 THR B 27 -6.745 -1.686 -1.481 1.00 0.00 H new ATOM 0 HG23 THR B 27 -5.693 -1.407 -2.890 1.00 0.00 H new ATOM 732 N LYS B 28 -10.698 -1.399 -3.331 1.00 0.00 N ATOM 733 CA LYS B 28 -12.101 -0.950 -3.556 1.00 0.00 C ATOM 734 C LYS B 28 -13.064 -1.953 -2.915 1.00 0.00 C ATOM 735 O LYS B 28 -13.760 -2.670 -3.606 1.00 0.00 O ATOM 736 CB LYS B 28 -12.375 -0.869 -5.059 1.00 0.00 C ATOM 737 CG LYS B 28 -12.528 0.596 -5.473 1.00 0.00 C ATOM 738 CD LYS B 28 -13.908 1.102 -5.051 1.00 0.00 C ATOM 739 CE LYS B 28 -13.988 2.614 -5.276 1.00 0.00 C ATOM 740 NZ LYS B 28 -15.084 2.914 -6.241 1.00 0.00 N ATOM 0 H LYS B 28 -10.588 -2.164 -2.665 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.246 0.033 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.558 -1.331 -5.613 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.281 -1.424 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.749 1.200 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.406 0.695 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.684 0.596 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.087 0.870 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.171 3.124 -4.330 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.038 2.986 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.140 3.941 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.890 2.438 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.988 2.572 -5.857 1.00 0.00 H new ATOM 754 N PRO B 29 -13.071 -1.973 -1.607 1.00 0.00 N ATOM 755 CA PRO B 29 -13.934 -2.881 -0.833 1.00 0.00 C ATOM 756 C PRO B 29 -15.368 -2.348 -0.784 1.00 0.00 C ATOM 757 O PRO B 29 -15.599 -1.182 -0.528 1.00 0.00 O ATOM 758 CB PRO B 29 -13.303 -2.874 0.561 1.00 0.00 C ATOM 759 CG PRO B 29 -12.484 -1.564 0.664 1.00 0.00 C ATOM 760 CD PRO B 29 -12.219 -1.095 -0.779 1.00 0.00 C ATOM 0 HA PRO B 29 -13.997 -3.880 -1.263 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -14.070 -2.914 1.335 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.662 -3.745 0.702 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.034 -0.806 1.223 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.547 -1.734 1.194 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.481 -0.045 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.167 -1.196 -1.044 1.00 0.00 H new ATOM 768 N THR B 30 -16.333 -3.192 -1.030 1.00 0.00 N ATOM 769 CA THR B 30 -17.749 -2.733 -0.997 1.00 0.00 C ATOM 770 C THR B 30 -18.143 -2.398 0.443 1.00 0.00 C ATOM 771 O THR B 30 -18.090 -3.290 1.273 1.00 0.00 O ATOM 772 CB THR B 30 -18.661 -3.840 -1.531 1.00 0.00 C ATOM 773 OG1 THR B 30 -20.018 -3.449 -1.373 1.00 0.00 O ATOM 774 CG2 THR B 30 -18.407 -5.133 -0.754 1.00 0.00 C ATOM 775 OXT THR B 30 -18.490 -1.254 0.690 1.00 0.00 O ATOM 0 H THR B 30 -16.201 -4.179 -1.252 1.00 0.00 H new ATOM 0 HA THR B 30 -17.856 -1.845 -1.620 1.00 0.00 H new ATOM 0 HB THR B 30 -18.450 -4.007 -2.587 1.00 0.00 H new ATOM 0 HG1 THR B 30 -20.604 -4.156 -1.716 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.057 -5.920 -1.135 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.366 -5.432 -0.875 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.617 -4.969 0.303 1.00 0.00 H new TER 783 THR B 30