USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=12 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 Set 1.1: B 16 TYR OH : rot 6:sc= 1.2 USER MOD Set 1.2: B 27 THR OG1 : rot 37:sc= 0.296 USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.487 USER MOD Set 2.2: A 15 GLN : amide:sc= -1.51! K(o=-1!,f=0.37) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0816 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.095 K(o=-0.095,f=-1.1!) USER MOD Single : A 19 TYR OH : rot -141:sc= 0.018 USER MOD Single : A 21 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.5) USER MOD Single : B 1 PHE N :NH3+ -143:sc= -1.29 (180deg=-2.64!) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 4 GLN : amide:sc= 0.926 K(o=0.93,f=-7.7!) USER MOD Single : B 5 HIS : no HD1:sc=-0.00232 X(o=-0.0023,f=-0.17) 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 26 TYR OH : 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 -2.056 -4.583 12.475 1.00 0.00 N ATOM 2 CA GLY A 1 -1.316 -3.521 11.752 1.00 0.00 C ATOM 3 C GLY A 1 -2.254 -2.579 11.002 1.00 0.00 C ATOM 4 O GLY A 1 -3.450 -2.844 10.897 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.004 -4.407 13.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.051 -4.580 12.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.632 -5.508 12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.718 -2.948 12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.622 -3.979 11.047 1.00 0.00 H new ATOM 10 N ILE A 2 -1.771 -1.459 10.454 1.00 0.00 N ATOM 11 CA ILE A 2 -0.380 -0.963 10.429 1.00 0.00 C ATOM 12 C ILE A 2 -0.338 0.560 10.677 1.00 0.00 C ATOM 13 O ILE A 2 -1.278 1.281 10.336 1.00 0.00 O ATOM 14 CB ILE A 2 0.297 -1.378 9.094 1.00 0.00 C ATOM 15 CG1 ILE A 2 1.816 -1.103 9.028 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.371 -0.721 7.872 1.00 0.00 C ATOM 17 CD1 ILE A 2 2.638 -1.866 10.074 1.00 0.00 C ATOM 0 H ILE A 2 -2.396 -0.814 9.971 1.00 0.00 H new ATOM 0 HA ILE A 2 0.189 -1.419 11.239 1.00 0.00 H new ATOM 0 HB ILE A 2 0.156 -2.459 9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.179 -1.366 8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.987 -0.034 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.138 -1.042 6.963 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.419 -1.019 7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.306 0.363 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.693 -1.617 9.960 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.305 -1.586 11.073 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.501 -2.938 9.933 1.00 0.00 H new ATOM 29 N VAL A 3 0.744 1.055 11.291 1.00 0.00 N ATOM 30 CA VAL A 3 0.879 2.463 11.730 1.00 0.00 C ATOM 31 C VAL A 3 1.264 3.448 10.614 1.00 0.00 C ATOM 32 O VAL A 3 1.076 4.654 10.771 1.00 0.00 O ATOM 33 CB VAL A 3 1.860 2.592 12.915 1.00 0.00 C ATOM 34 CG1 VAL A 3 1.348 1.825 14.142 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.278 2.105 12.586 1.00 0.00 C ATOM 0 H VAL A 3 1.565 0.487 11.503 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.123 2.748 12.051 1.00 0.00 H new ATOM 0 HB VAL A 3 1.914 3.659 13.131 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.059 1.933 14.961 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.381 2.227 14.445 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.240 0.769 13.892 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.916 2.224 13.462 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.245 1.053 12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.682 2.692 11.761 1.00 0.00 H new ATOM 45 N GLU A 4 1.786 2.958 9.487 1.00 0.00 N ATOM 46 CA GLU A 4 2.182 3.756 8.314 1.00 0.00 C ATOM 47 C GLU A 4 2.020 2.966 7.002 1.00 0.00 C ATOM 48 O GLU A 4 2.111 1.737 6.996 1.00 0.00 O ATOM 49 CB GLU A 4 3.618 4.292 8.486 1.00 0.00 C ATOM 50 CG GLU A 4 4.704 3.207 8.559 1.00 0.00 C ATOM 51 CD GLU A 4 6.075 3.826 8.900 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.698 4.467 8.019 1.00 0.00 O1- ATOM 53 OE2 GLU A 4 6.542 3.679 10.057 1.00 0.00 O ATOM 0 H GLU A 4 1.952 1.960 9.357 1.00 0.00 H new ATOM 0 HA GLU A 4 1.509 4.611 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.845 4.958 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.661 4.892 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.436 2.468 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.764 2.682 7.606 1.00 0.00 H new ATOM 60 N GLN A 5 1.753 3.667 5.893 1.00 0.00 N ATOM 61 CA GLN A 5 1.438 3.077 4.579 1.00 0.00 C ATOM 62 C GLN A 5 2.065 3.887 3.423 1.00 0.00 C ATOM 63 O GLN A 5 1.363 4.343 2.523 1.00 0.00 O ATOM 64 CB GLN A 5 -0.093 2.931 4.417 1.00 0.00 C ATOM 65 CG GLN A 5 -0.735 1.964 5.423 1.00 0.00 C ATOM 66 CD GLN A 5 -2.207 1.712 5.110 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.096 2.455 5.509 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.530 0.666 4.375 1.00 0.00 N ATOM 0 H GLN A 5 1.749 4.687 5.881 1.00 0.00 H new ATOM 0 HA GLN A 5 1.882 2.082 4.533 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.555 3.912 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.310 2.586 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.194 1.018 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.643 2.373 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.802 0.037 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.508 0.485 4.147 1.00 0.00 H new ATOM 77 N CYS A 6 3.386 4.113 3.466 1.00 0.00 N ATOM 78 CA CYS A 6 4.171 4.811 2.425 1.00 0.00 C ATOM 79 C CYS A 6 3.695 6.237 2.046 1.00 0.00 C ATOM 80 O CYS A 6 4.067 6.767 0.998 1.00 0.00 O ATOM 81 CB CYS A 6 4.347 3.887 1.208 1.00 0.00 C ATOM 82 SG CYS A 6 5.229 2.352 1.584 1.00 0.00 S ATOM 0 H CYS A 6 3.961 3.807 4.251 1.00 0.00 H new ATOM 0 HA CYS A 6 5.144 5.017 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.365 3.642 0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.887 4.425 0.429 1.00 0.00 H new ATOM 87 N CYS A 7 2.911 6.894 2.908 1.00 0.00 N ATOM 88 CA CYS A 7 2.316 8.210 2.645 1.00 0.00 C ATOM 89 C CYS A 7 3.319 9.380 2.714 1.00 0.00 C ATOM 90 O CYS A 7 3.078 10.431 2.116 1.00 0.00 O ATOM 91 CB CYS A 7 1.180 8.424 3.655 1.00 0.00 C ATOM 92 SG CYS A 7 -0.195 7.245 3.549 1.00 0.00 S ATOM 0 H CYS A 7 2.668 6.519 3.825 1.00 0.00 H new ATOM 0 HA CYS A 7 1.949 8.208 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.598 8.378 4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.783 9.430 3.521 1.00 0.00 H new ATOM 97 N THR A 8 4.427 9.217 3.450 1.00 0.00 N ATOM 98 CA THR A 8 5.366 10.300 3.820 1.00 0.00 C ATOM 99 C THR A 8 6.821 10.064 3.390 1.00 0.00 C ATOM 100 O THR A 8 7.642 10.979 3.491 1.00 0.00 O ATOM 101 CB THR A 8 5.327 10.538 5.339 1.00 0.00 C ATOM 102 OG1 THR A 8 5.577 9.323 6.019 1.00 0.00 O ATOM 103 CG2 THR A 8 3.969 11.063 5.810 1.00 0.00 C ATOM 0 H THR A 8 4.708 8.308 3.817 1.00 0.00 H new ATOM 0 HA THR A 8 5.021 11.176 3.271 1.00 0.00 H new ATOM 0 HB THR A 8 6.090 11.284 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.553 9.479 6.986 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.992 11.215 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.753 12.010 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.193 10.339 5.562 1.00 0.00 H new ATOM 111 N SER A 9 7.163 8.869 2.889 1.00 0.00 N ATOM 112 CA SER A 9 8.518 8.497 2.452 1.00 0.00 C ATOM 113 C SER A 9 8.501 7.589 1.219 1.00 0.00 C ATOM 114 O SER A 9 7.512 6.908 0.935 1.00 0.00 O ATOM 115 CB SER A 9 9.279 7.833 3.604 1.00 0.00 C ATOM 116 OG SER A 9 10.647 7.663 3.267 1.00 0.00 O ATOM 0 H SER A 9 6.488 8.113 2.773 1.00 0.00 H new ATOM 0 HA SER A 9 9.033 9.413 2.163 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.194 8.443 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.832 6.865 3.832 1.00 0.00 H new ATOM 0 HG SER A 9 11.118 7.239 4.015 1.00 0.00 H new ATOM 122 N ILE A 10 9.604 7.593 0.470 1.00 0.00 N ATOM 123 CA ILE A 10 9.760 6.867 -0.797 1.00 0.00 C ATOM 124 C ILE A 10 10.049 5.384 -0.513 1.00 0.00 C ATOM 125 O ILE A 10 11.201 4.976 -0.334 1.00 0.00 O ATOM 126 CB ILE A 10 10.842 7.531 -1.688 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.606 9.039 -1.945 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.963 6.798 -3.037 1.00 0.00 C ATOM 129 CD1 ILE A 10 9.367 9.385 -2.783 1.00 0.00 C ATOM 0 H ILE A 10 10.439 8.116 0.733 1.00 0.00 H new ATOM 0 HA ILE A 10 8.829 6.917 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 10 11.771 7.446 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.524 9.544 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.485 9.446 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.727 7.280 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.241 5.758 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.007 6.836 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.298 10.466 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.449 8.917 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.473 9.017 -2.279 1.00 0.00 H new ATOM 141 N CYS A 11 8.995 4.563 -0.483 1.00 0.00 N ATOM 142 CA CYS A 11 9.123 3.109 -0.403 1.00 0.00 C ATOM 143 C CYS A 11 9.604 2.514 -1.740 1.00 0.00 C ATOM 144 O CYS A 11 8.871 2.505 -2.733 1.00 0.00 O ATOM 145 CB CYS A 11 7.799 2.473 0.027 1.00 0.00 C ATOM 146 SG CYS A 11 7.186 2.919 1.671 1.00 0.00 S ATOM 0 H CYS A 11 8.029 4.890 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 11 9.876 2.882 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.038 2.741 -0.705 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.912 1.390 -0.013 1.00 0.00 H new ATOM 151 N SER A 12 10.818 1.963 -1.745 1.00 0.00 N ATOM 152 CA SER A 12 11.294 1.021 -2.765 1.00 0.00 C ATOM 153 C SER A 12 10.563 -0.323 -2.649 1.00 0.00 C ATOM 154 O SER A 12 9.947 -0.619 -1.622 1.00 0.00 O ATOM 155 CB SER A 12 12.812 0.829 -2.627 1.00 0.00 C ATOM 156 OG SER A 12 13.162 0.446 -1.304 1.00 0.00 O ATOM 0 H SER A 12 11.514 2.161 -1.026 1.00 0.00 H new ATOM 0 HA SER A 12 11.079 1.433 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.151 0.068 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.324 1.755 -2.888 1.00 0.00 H new ATOM 0 HG SER A 12 14.133 0.329 -1.243 1.00 0.00 H new ATOM 162 N LEU A 13 10.637 -1.180 -3.673 1.00 0.00 N ATOM 163 CA LEU A 13 9.958 -2.487 -3.659 1.00 0.00 C ATOM 164 C LEU A 13 10.458 -3.392 -2.516 1.00 0.00 C ATOM 165 O LEU A 13 9.667 -4.130 -1.931 1.00 0.00 O ATOM 166 CB LEU A 13 10.115 -3.176 -5.024 1.00 0.00 C ATOM 167 CG LEU A 13 9.100 -2.717 -6.092 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.274 -1.261 -6.533 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.228 -3.603 -7.332 1.00 0.00 C ATOM 0 H LEU A 13 11.162 -0.994 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 13 8.899 -2.310 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.123 -2.992 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.017 -4.253 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 13 8.119 -2.802 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.523 -1.016 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.154 -0.603 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.269 -1.126 -6.957 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.511 -3.279 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.238 -3.523 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.026 -4.639 -7.061 1.00 0.00 H new ATOM 181 N TYR A 14 11.728 -3.266 -2.120 1.00 0.00 N ATOM 182 CA TYR A 14 12.273 -3.894 -0.910 1.00 0.00 C ATOM 183 C TYR A 14 11.503 -3.483 0.363 1.00 0.00 C ATOM 184 O TYR A 14 11.193 -4.329 1.203 1.00 0.00 O ATOM 185 CB TYR A 14 13.757 -3.514 -0.799 1.00 0.00 C ATOM 186 CG TYR A 14 14.381 -3.850 0.543 1.00 0.00 C ATOM 187 CD1 TYR A 14 14.711 -5.183 0.855 1.00 0.00 C ATOM 188 CD2 TYR A 14 14.577 -2.831 1.496 1.00 0.00 C ATOM 189 CE1 TYR A 14 15.229 -5.500 2.126 1.00 0.00 C ATOM 190 CE2 TYR A 14 15.102 -3.144 2.765 1.00 0.00 C ATOM 191 CZ TYR A 14 15.421 -4.482 3.086 1.00 0.00 C ATOM 192 OH TYR A 14 15.904 -4.803 4.319 1.00 0.00 O ATOM 0 H TYR A 14 12.416 -2.718 -2.636 1.00 0.00 H new ATOM 0 HA TYR A 14 12.163 -4.975 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.312 -4.026 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.862 -2.444 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.567 -5.962 0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.325 -1.809 1.253 1.00 0.00 H new ATOM 0 HE1 TYR A 14 15.480 -6.523 2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.261 -2.361 3.492 1.00 0.00 H new ATOM 0 HH TYR A 14 15.980 -3.991 4.862 1.00 0.00 H new ATOM 202 N GLN A 15 11.124 -2.205 0.479 1.00 0.00 N ATOM 203 CA GLN A 15 10.331 -1.703 1.612 1.00 0.00 C ATOM 204 C GLN A 15 8.892 -2.215 1.549 1.00 0.00 C ATOM 205 O GLN A 15 8.318 -2.572 2.576 1.00 0.00 O ATOM 206 CB GLN A 15 10.341 -0.168 1.663 1.00 0.00 C ATOM 207 CG GLN A 15 11.760 0.360 1.885 1.00 0.00 C ATOM 208 CD GLN A 15 11.841 1.881 1.816 1.00 0.00 C ATOM 209 OE1 GLN A 15 11.293 2.604 2.635 1.00 0.00 O ATOM 210 NE2 GLN A 15 12.493 2.423 0.808 1.00 0.00 N ATOM 0 H GLN A 15 11.357 -1.488 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 15 10.794 -2.082 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.940 0.234 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.690 0.178 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.119 0.025 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.424 -0.069 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.954 1.828 0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.537 3.438 0.716 1.00 0.00 H new ATOM 219 N LEU A 16 8.332 -2.318 0.341 1.00 0.00 N ATOM 220 CA LEU A 16 7.011 -2.920 0.126 1.00 0.00 C ATOM 221 C LEU A 16 6.986 -4.411 0.541 1.00 0.00 C ATOM 222 O LEU A 16 6.018 -4.863 1.154 1.00 0.00 O ATOM 223 CB LEU A 16 6.525 -2.691 -1.319 1.00 0.00 C ATOM 224 CG LEU A 16 6.447 -1.217 -1.772 1.00 0.00 C ATOM 225 CD1 LEU A 16 5.909 -1.104 -3.197 1.00 0.00 C ATOM 226 CD2 LEU A 16 5.570 -0.336 -0.879 1.00 0.00 C ATOM 0 H LEU A 16 8.779 -1.988 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 16 6.300 -2.414 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.191 -3.226 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.537 -3.138 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 16 7.474 -0.859 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.866 -0.054 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.568 -1.642 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.909 -1.535 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.567 0.684 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.552 -0.724 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.966 -0.339 0.137 1.00 0.00 H new ATOM 238 N GLU A 17 8.072 -5.162 0.323 1.00 0.00 N ATOM 239 CA GLU A 17 8.228 -6.525 0.864 1.00 0.00 C ATOM 240 C GLU A 17 8.342 -6.562 2.403 1.00 0.00 C ATOM 241 O GLU A 17 7.845 -7.507 3.022 1.00 0.00 O ATOM 242 CB GLU A 17 9.444 -7.241 0.251 1.00 0.00 C ATOM 243 CG GLU A 17 9.268 -7.591 -1.230 1.00 0.00 C ATOM 244 CD GLU A 17 10.460 -8.423 -1.741 1.00 0.00 C ATOM 245 OE1 GLU A 17 11.474 -7.836 -2.192 1.00 0.00 O ATOM 246 OE2 GLU A 17 10.392 -9.676 -1.697 1.00 0.00 O1- ATOM 0 H GLU A 17 8.868 -4.846 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 17 7.314 -7.049 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.323 -6.607 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.637 -8.156 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.343 -8.150 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.179 -6.676 -1.816 1.00 0.00 H new ATOM 253 N ASN A 18 8.934 -5.544 3.047 1.00 0.00 N ATOM 254 CA ASN A 18 9.050 -5.497 4.512 1.00 0.00 C ATOM 255 C ASN A 18 7.686 -5.378 5.223 1.00 0.00 C ATOM 256 O ASN A 18 7.548 -5.882 6.340 1.00 0.00 O ATOM 257 CB ASN A 18 9.991 -4.365 4.977 1.00 0.00 C ATOM 258 CG ASN A 18 11.446 -4.483 4.543 1.00 0.00 C ATOM 259 OD1 ASN A 18 12.057 -3.524 4.100 1.00 0.00 O ATOM 260 ND2 ASN A 18 12.084 -5.619 4.732 1.00 0.00 N ATOM 0 H ASN A 18 9.342 -4.738 2.572 1.00 0.00 H new ATOM 0 HA ASN A 18 9.485 -6.454 4.800 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.598 -3.418 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.960 -4.319 6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.077 -5.690 4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.586 -6.428 5.102 1.00 0.00 H new ATOM 267 N TYR A 19 6.667 -4.777 4.590 1.00 0.00 N ATOM 268 CA TYR A 19 5.290 -4.818 5.110 1.00 0.00 C ATOM 269 C TYR A 19 4.687 -6.222 4.985 1.00 0.00 C ATOM 270 O TYR A 19 4.076 -6.708 5.935 1.00 0.00 O ATOM 271 CB TYR A 19 4.384 -3.814 4.386 1.00 0.00 C ATOM 272 CG TYR A 19 4.736 -2.357 4.602 1.00 0.00 C ATOM 273 CD1 TYR A 19 4.301 -1.680 5.756 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.489 -1.675 3.633 1.00 0.00 C ATOM 275 CE1 TYR A 19 4.616 -0.319 5.935 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.831 -0.324 3.818 1.00 0.00 C ATOM 277 CZ TYR A 19 5.382 0.365 4.966 1.00 0.00 C ATOM 278 OH TYR A 19 5.685 1.680 5.143 1.00 0.00 O ATOM 0 H TYR A 19 6.769 -4.257 3.718 1.00 0.00 H new ATOM 0 HA TYR A 19 5.347 -4.547 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.416 -4.025 3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.356 -3.975 4.712 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.725 -2.204 6.505 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.808 -2.192 2.740 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.271 0.203 6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.436 0.186 3.083 1.00 0.00 H new ATOM 0 HH TYR A 19 5.623 2.148 4.284 1.00 0.00 H new ATOM 288 N CYS A 20 4.883 -6.889 3.840 1.00 0.00 N ATOM 289 CA CYS A 20 4.335 -8.223 3.568 1.00 0.00 C ATOM 290 C CYS A 20 4.859 -9.295 4.544 1.00 0.00 C ATOM 291 O CYS A 20 4.088 -10.140 5.008 1.00 0.00 O ATOM 292 CB CYS A 20 4.671 -8.612 2.126 1.00 0.00 C ATOM 293 SG CYS A 20 3.863 -10.139 1.578 1.00 0.00 S ATOM 0 H CYS A 20 5.433 -6.512 3.068 1.00 0.00 H new ATOM 0 HA CYS A 20 3.255 -8.176 3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.379 -7.798 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.751 -8.729 2.032 1.00 0.00 H new ATOM 298 N ASN A 21 6.154 -9.229 4.887 1.00 0.00 N ATOM 299 CA ASN A 21 6.837 -10.089 5.861 1.00 0.00 C ATOM 300 C ASN A 21 6.539 -11.591 5.677 1.00 0.00 C ATOM 301 O ASN A 21 6.831 -12.175 4.623 1.00 0.00 O ATOM 302 CB ASN A 21 6.514 -9.572 7.280 1.00 0.00 C ATOM 303 CG ASN A 21 7.294 -10.267 8.388 1.00 0.00 C ATOM 304 OD1 ASN A 21 8.097 -11.164 8.171 1.00 0.00 O ATOM 305 ND2 ASN A 21 7.076 -9.875 9.624 1.00 0.00 N ATOM 0 H ASN A 21 6.782 -8.541 4.472 1.00 0.00 H new ATOM 0 HA ASN A 21 7.912 -10.023 5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.720 -8.503 7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.448 -9.698 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.575 -10.318 10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.408 -9.128 9.812 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 3.766 1.016 -11.176 1.00 0.00 N ATOM 314 CA PHE B 1 2.709 1.779 -10.511 1.00 0.00 C ATOM 315 C PHE B 1 2.517 3.221 -11.037 1.00 0.00 C ATOM 316 O PHE B 1 1.378 3.608 -11.305 1.00 0.00 O ATOM 317 CB PHE B 1 2.934 1.762 -8.989 1.00 0.00 C ATOM 318 CG PHE B 1 3.046 0.368 -8.397 1.00 0.00 C ATOM 319 CD1 PHE B 1 1.954 -0.518 -8.476 1.00 0.00 C ATOM 320 CD2 PHE B 1 4.251 -0.060 -7.805 1.00 0.00 C ATOM 321 CE1 PHE B 1 2.073 -1.830 -7.991 1.00 0.00 C ATOM 322 CE2 PHE B 1 4.363 -1.369 -7.300 1.00 0.00 C ATOM 323 CZ PHE B 1 3.278 -2.257 -7.408 1.00 0.00 C ATOM 0 H1 PHE B 1 3.470 0.023 -11.271 1.00 0.00 H new ATOM 0 H2 PHE B 1 3.942 1.417 -12.119 1.00 0.00 H new ATOM 0 H3 PHE B 1 4.638 1.065 -10.611 1.00 0.00 H new ATOM 0 HA PHE B 1 1.773 1.276 -10.756 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.844 2.317 -8.760 1.00 0.00 H new ATOM 0 HB3 PHE B 1 2.110 2.286 -8.504 1.00 0.00 H new ATOM 0 HD1 PHE B 1 1.022 -0.187 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.090 0.617 -7.739 1.00 0.00 H new ATOM 0 HE1 PHE B 1 1.238 -2.511 -8.066 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.281 -1.691 -6.830 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.371 -3.269 -7.042 1.00 0.00 H new ATOM 333 N VAL B 2 3.537 4.068 -11.235 1.00 0.00 N ATOM 334 CA VAL B 2 4.975 3.923 -10.913 1.00 0.00 C ATOM 335 C VAL B 2 5.410 4.886 -9.798 1.00 0.00 C ATOM 336 O VAL B 2 4.695 5.836 -9.467 1.00 0.00 O ATOM 337 CB VAL B 2 5.860 4.111 -12.167 1.00 0.00 C ATOM 338 CG1 VAL B 2 5.584 3.045 -13.234 1.00 0.00 C ATOM 339 CG2 VAL B 2 5.710 5.497 -12.813 1.00 0.00 C ATOM 0 H VAL B 2 3.361 4.973 -11.672 1.00 0.00 H new ATOM 0 HA VAL B 2 5.114 2.905 -10.549 1.00 0.00 H new ATOM 0 HB VAL B 2 6.881 4.009 -11.800 1.00 0.00 H new ATOM 0 HG11 VAL B 2 6.229 3.217 -14.096 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.786 2.057 -12.822 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.541 3.102 -13.544 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.358 5.563 -13.687 1.00 0.00 H new ATOM 0 HG22 VAL B 2 4.674 5.647 -13.117 1.00 0.00 H new ATOM 0 HG23 VAL B 2 5.992 6.266 -12.094 1.00 0.00 H new ATOM 349 N ASN B 3 6.610 4.665 -9.246 1.00 0.00 N ATOM 350 CA ASN B 3 7.234 5.486 -8.197 1.00 0.00 C ATOM 351 C ASN B 3 6.332 5.634 -6.945 1.00 0.00 C ATOM 352 O ASN B 3 5.643 4.689 -6.559 1.00 0.00 O ATOM 353 CB ASN B 3 7.740 6.811 -8.826 1.00 0.00 C ATOM 354 CG ASN B 3 8.732 6.629 -9.971 1.00 0.00 C ATOM 355 OD1 ASN B 3 9.340 5.584 -10.168 1.00 0.00 O ATOM 356 ND2 ASN B 3 8.945 7.657 -10.761 1.00 0.00 N ATOM 0 H ASN B 3 7.196 3.879 -9.528 1.00 0.00 H new ATOM 0 HA ASN B 3 8.112 4.981 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.882 7.376 -9.191 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.209 7.412 -8.047 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.611 7.580 -11.529 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.444 8.532 -10.606 1.00 0.00 H new ATOM 363 N GLN B 4 6.392 6.785 -6.267 1.00 0.00 N ATOM 364 CA GLN B 4 5.734 7.083 -4.986 1.00 0.00 C ATOM 365 C GLN B 4 5.166 8.523 -4.990 1.00 0.00 C ATOM 366 O GLN B 4 5.575 9.346 -5.812 1.00 0.00 O ATOM 367 CB GLN B 4 6.768 6.859 -3.858 1.00 0.00 C ATOM 368 CG GLN B 4 7.116 5.377 -3.609 1.00 0.00 C ATOM 369 CD GLN B 4 5.941 4.504 -3.157 1.00 0.00 C ATOM 370 OE1 GLN B 4 4.857 4.960 -2.823 1.00 0.00 O ATOM 371 NE2 GLN B 4 6.120 3.204 -3.099 1.00 0.00 N ATOM 0 H GLN B 4 6.930 7.579 -6.615 1.00 0.00 H new ATOM 0 HA GLN B 4 4.883 6.421 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.682 7.399 -4.105 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.382 7.291 -2.935 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.529 4.957 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.900 5.325 -2.853 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.016 2.800 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.363 2.599 -2.781 1.00 0.00 H new ATOM 380 N HIS B 5 4.215 8.896 -4.124 1.00 0.00 N ATOM 381 CA HIS B 5 3.699 8.177 -2.947 1.00 0.00 C ATOM 382 C HIS B 5 2.333 7.520 -3.197 1.00 0.00 C ATOM 383 O HIS B 5 1.348 8.203 -3.490 1.00 0.00 O ATOM 384 CB HIS B 5 3.628 9.153 -1.758 1.00 0.00 C ATOM 385 CG HIS B 5 4.948 9.796 -1.392 1.00 0.00 C ATOM 386 ND1 HIS B 5 5.568 10.837 -2.093 1.00 0.00 N ATOM 387 CD2 HIS B 5 5.733 9.461 -0.328 1.00 0.00 C ATOM 388 CE1 HIS B 5 6.712 11.096 -1.437 1.00 0.00 C ATOM 389 NE2 HIS B 5 6.831 10.293 -0.367 1.00 0.00 N ATOM 0 H HIS B 5 3.742 9.792 -4.238 1.00 0.00 H new ATOM 0 HA HIS B 5 4.386 7.361 -2.724 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.909 9.938 -1.992 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.246 8.619 -0.888 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.533 8.692 0.404 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.434 11.844 -1.729 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.601 10.298 0.302 1.00 0.00 H new ATOM 397 N LEU B 6 2.263 6.200 -3.016 1.00 0.00 N ATOM 398 CA LEU B 6 1.017 5.442 -2.858 1.00 0.00 C ATOM 399 C LEU B 6 0.619 5.472 -1.370 1.00 0.00 C ATOM 400 O LEU B 6 1.473 5.283 -0.503 1.00 0.00 O ATOM 401 CB LEU B 6 1.197 3.999 -3.372 1.00 0.00 C ATOM 402 CG LEU B 6 1.158 3.812 -4.902 1.00 0.00 C ATOM 403 CD1 LEU B 6 2.310 4.487 -5.649 1.00 0.00 C ATOM 404 CD2 LEU B 6 1.213 2.316 -5.223 1.00 0.00 C ATOM 0 H LEU B 6 3.094 5.611 -2.974 1.00 0.00 H new ATOM 0 HA LEU B 6 0.220 5.892 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.151 3.621 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.417 3.378 -2.931 1.00 0.00 H new ATOM 0 HG LEU B 6 0.234 4.283 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.206 4.306 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.288 5.560 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.258 4.077 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.186 2.174 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.135 1.892 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.358 1.815 -4.770 1.00 0.00 H new ATOM 416 N CYS B 7 -0.658 5.733 -1.069 1.00 0.00 N ATOM 417 CA CYS B 7 -1.131 6.007 0.295 1.00 0.00 C ATOM 418 C CYS B 7 -2.567 5.488 0.527 1.00 0.00 C ATOM 419 O CYS B 7 -2.756 4.294 0.769 1.00 0.00 O ATOM 420 CB CYS B 7 -0.941 7.510 0.577 1.00 0.00 C ATOM 421 SG CYS B 7 -1.471 8.100 2.211 1.00 0.00 S ATOM 0 H CYS B 7 -1.399 5.761 -1.770 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.538 5.453 1.023 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.115 7.750 0.454 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.486 8.071 -0.182 1.00 0.00 H new ATOM 426 N GLY B 8 -3.589 6.352 0.431 1.00 0.00 N ATOM 427 CA GLY B 8 -5.002 6.006 0.668 1.00 0.00 C ATOM 428 C GLY B 8 -5.659 5.169 -0.442 1.00 0.00 C ATOM 429 O GLY B 8 -6.753 4.635 -0.250 1.00 0.00 O ATOM 0 H GLY B 8 -3.455 7.332 0.181 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.074 5.458 1.607 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.571 6.928 0.793 1.00 0.00 H new ATOM 433 N SER B 9 -4.988 5.035 -1.590 1.00 0.00 N ATOM 434 CA SER B 9 -5.347 4.148 -2.704 1.00 0.00 C ATOM 435 C SER B 9 -4.089 3.521 -3.322 1.00 0.00 C ATOM 436 O SER B 9 -2.969 3.985 -3.078 1.00 0.00 O ATOM 437 CB SER B 9 -6.156 4.922 -3.752 1.00 0.00 C ATOM 438 OG SER B 9 -6.786 4.019 -4.646 1.00 0.00 O ATOM 0 H SER B 9 -4.138 5.567 -1.778 1.00 0.00 H new ATOM 0 HA SER B 9 -5.968 3.337 -2.325 1.00 0.00 H new ATOM 0 HB2 SER B 9 -6.906 5.541 -3.259 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.500 5.595 -4.305 1.00 0.00 H new ATOM 0 HG SER B 9 -7.301 4.522 -5.310 1.00 0.00 H new ATOM 444 N HIS B 10 -4.275 2.446 -4.095 1.00 0.00 N ATOM 445 CA HIS B 10 -3.270 1.601 -4.774 1.00 0.00 C ATOM 446 C HIS B 10 -2.237 0.885 -3.885 1.00 0.00 C ATOM 447 O HIS B 10 -1.779 -0.191 -4.262 1.00 0.00 O ATOM 448 CB HIS B 10 -2.580 2.392 -5.900 1.00 0.00 C ATOM 449 CG HIS B 10 -3.531 3.027 -6.887 1.00 0.00 C ATOM 450 ND1 HIS B 10 -3.638 4.399 -7.147 1.00 0.00 N ATOM 451 CD2 HIS B 10 -4.430 2.360 -7.670 1.00 0.00 C ATOM 452 CE1 HIS B 10 -4.603 4.524 -8.075 1.00 0.00 C ATOM 453 NE2 HIS B 10 -5.093 3.317 -8.407 1.00 0.00 N ATOM 0 H HIS B 10 -5.219 2.109 -4.283 1.00 0.00 H new ATOM 0 HA HIS B 10 -3.855 0.776 -5.180 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -1.963 3.172 -5.454 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -1.909 1.723 -6.439 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -4.590 1.292 -7.705 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -4.937 5.461 -8.494 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -5.831 3.140 -9.089 1.00 0.00 H new ATOM 461 N LEU B 11 -1.886 1.414 -2.708 1.00 0.00 N ATOM 462 CA LEU B 11 -0.851 0.865 -1.817 1.00 0.00 C ATOM 463 C LEU B 11 -1.145 -0.587 -1.413 1.00 0.00 C ATOM 464 O LEU B 11 -0.283 -1.453 -1.546 1.00 0.00 O ATOM 465 CB LEU B 11 -0.723 1.802 -0.596 1.00 0.00 C ATOM 466 CG LEU B 11 0.404 1.526 0.422 1.00 0.00 C ATOM 467 CD1 LEU B 11 0.068 0.412 1.417 1.00 0.00 C ATOM 468 CD2 LEU B 11 1.756 1.224 -0.226 1.00 0.00 C ATOM 0 H LEU B 11 -2.323 2.257 -2.337 1.00 0.00 H new ATOM 0 HA LEU B 11 0.102 0.825 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.593 2.818 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.671 1.778 -0.058 1.00 0.00 H new ATOM 0 HG LEU B 11 0.487 2.466 0.968 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.904 0.272 2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -0.823 0.686 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.117 -0.516 0.876 1.00 0.00 H new ATOM 0 HD21 LEU B 11 2.499 1.040 0.550 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.667 0.341 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.067 2.075 -0.832 1.00 0.00 H new ATOM 480 N VAL B 12 -2.374 -0.877 -0.979 1.00 0.00 N ATOM 481 CA VAL B 12 -2.779 -2.216 -0.527 1.00 0.00 C ATOM 482 C VAL B 12 -2.744 -3.260 -1.646 1.00 0.00 C ATOM 483 O VAL B 12 -2.458 -4.425 -1.387 1.00 0.00 O ATOM 484 CB VAL B 12 -4.163 -2.171 0.146 1.00 0.00 C ATOM 485 CG1 VAL B 12 -4.144 -1.240 1.364 1.00 0.00 C ATOM 486 CG2 VAL B 12 -5.299 -1.725 -0.786 1.00 0.00 C ATOM 0 H VAL B 12 -3.123 -0.187 -0.930 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.042 -2.533 0.211 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.366 -3.200 0.442 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.132 -1.223 1.824 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.413 -1.602 2.087 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.874 -0.233 1.048 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.240 -1.720 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.091 -0.722 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.373 -2.416 -1.626 1.00 0.00 H new ATOM 496 N GLU B 13 -2.953 -2.847 -2.898 1.00 0.00 N ATOM 497 CA GLU B 13 -2.754 -3.705 -4.075 1.00 0.00 C ATOM 498 C GLU B 13 -1.259 -3.883 -4.380 1.00 0.00 C ATOM 499 O GLU B 13 -0.801 -5.001 -4.621 1.00 0.00 O ATOM 500 CB GLU B 13 -3.483 -3.125 -5.300 1.00 0.00 C ATOM 501 CG GLU B 13 -4.998 -2.998 -5.098 1.00 0.00 C ATOM 502 CD GLU B 13 -5.676 -2.459 -6.372 1.00 0.00 C ATOM 503 OE1 GLU B 13 -5.684 -1.222 -6.582 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -6.211 -3.269 -7.170 1.00 0.00 O ATOM 0 H GLU B 13 -3.267 -1.904 -3.128 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.176 -4.684 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.070 -2.143 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.290 -3.761 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.418 -3.970 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.203 -2.331 -4.261 1.00 0.00 H new ATOM 511 N ALA B 14 -0.482 -2.796 -4.315 1.00 0.00 N ATOM 512 CA ALA B 14 0.949 -2.789 -4.599 1.00 0.00 C ATOM 513 C ALA B 14 1.750 -3.727 -3.679 1.00 0.00 C ATOM 514 O ALA B 14 2.652 -4.408 -4.161 1.00 0.00 O ATOM 515 CB ALA B 14 1.462 -1.345 -4.522 1.00 0.00 C ATOM 0 H ALA B 14 -0.844 -1.878 -4.057 1.00 0.00 H new ATOM 0 HA ALA B 14 1.099 -3.179 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.531 -1.327 -4.733 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.937 -0.733 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.282 -0.948 -3.523 1.00 0.00 H new ATOM 521 N LEU B 15 1.402 -3.837 -2.389 1.00 0.00 N ATOM 522 CA LEU B 15 2.105 -4.736 -1.461 1.00 0.00 C ATOM 523 C LEU B 15 2.009 -6.200 -1.919 1.00 0.00 C ATOM 524 O LEU B 15 3.019 -6.902 -1.970 1.00 0.00 O ATOM 525 CB LEU B 15 1.539 -4.595 -0.029 1.00 0.00 C ATOM 526 CG LEU B 15 1.737 -3.230 0.656 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.165 -3.281 2.072 1.00 0.00 C ATOM 528 CD2 LEU B 15 3.203 -2.828 0.754 1.00 0.00 C ATOM 0 H LEU B 15 0.637 -3.314 -1.963 1.00 0.00 H new ATOM 0 HA LEU B 15 3.156 -4.446 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.471 -4.809 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.998 -5.361 0.596 1.00 0.00 H new ATOM 0 HG LEU B 15 1.220 -2.493 0.042 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.306 -2.315 2.556 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.101 -3.513 2.026 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.680 -4.052 2.645 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.282 -1.858 1.245 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.747 -3.574 1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.630 -2.764 -0.247 1.00 0.00 H new ATOM 540 N TYR B 16 0.816 -6.646 -2.319 1.00 0.00 N ATOM 541 CA TYR B 16 0.587 -8.012 -2.802 1.00 0.00 C ATOM 542 C TYR B 16 1.123 -8.247 -4.222 1.00 0.00 C ATOM 543 O TYR B 16 1.639 -9.329 -4.504 1.00 0.00 O ATOM 544 CB TYR B 16 -0.908 -8.336 -2.700 1.00 0.00 C ATOM 545 CG TYR B 16 -1.416 -8.349 -1.269 1.00 0.00 C ATOM 546 CD1 TYR B 16 -0.773 -9.145 -0.302 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.488 -7.519 -0.891 1.00 0.00 C ATOM 548 CE1 TYR B 16 -1.155 -9.066 1.048 1.00 0.00 C ATOM 549 CE2 TYR B 16 -2.882 -7.448 0.457 1.00 0.00 C ATOM 550 CZ TYR B 16 -2.206 -8.207 1.435 1.00 0.00 C ATOM 551 OH TYR B 16 -2.573 -8.121 2.738 1.00 0.00 O ATOM 0 H TYR B 16 -0.024 -6.067 -2.317 1.00 0.00 H new ATOM 0 HA TYR B 16 1.152 -8.694 -2.166 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.473 -7.602 -3.274 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -1.095 -9.309 -3.155 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.017 -9.819 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.008 -6.936 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.644 -9.663 1.789 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.705 -6.810 0.744 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.948 -8.637 3.289 1.00 0.00 H new ATOM 561 N LEU B 17 1.081 -7.238 -5.100 1.00 0.00 N ATOM 562 CA LEU B 17 1.667 -7.305 -6.447 1.00 0.00 C ATOM 563 C LEU B 17 3.207 -7.400 -6.418 1.00 0.00 C ATOM 564 O LEU B 17 3.796 -8.059 -7.277 1.00 0.00 O ATOM 565 CB LEU B 17 1.199 -6.085 -7.263 1.00 0.00 C ATOM 566 CG LEU B 17 -0.284 -6.140 -7.684 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.729 -4.775 -8.213 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.533 -7.174 -8.786 1.00 0.00 C ATOM 0 H LEU B 17 0.636 -6.343 -4.895 1.00 0.00 H new ATOM 0 HA LEU B 17 1.318 -8.220 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.365 -5.183 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.817 -6.001 -8.157 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.852 -6.423 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.777 -4.823 -8.508 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.606 -4.024 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.121 -4.504 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.591 -7.177 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.059 -6.919 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.245 -8.163 -8.429 1.00 0.00 H new ATOM 580 N VAL B 18 3.857 -6.795 -5.417 1.00 0.00 N ATOM 581 CA VAL B 18 5.312 -6.891 -5.184 1.00 0.00 C ATOM 582 C VAL B 18 5.688 -8.206 -4.494 1.00 0.00 C ATOM 583 O VAL B 18 6.635 -8.875 -4.911 1.00 0.00 O ATOM 584 CB VAL B 18 5.793 -5.679 -4.361 1.00 0.00 C ATOM 585 CG1 VAL B 18 7.253 -5.781 -3.908 1.00 0.00 C ATOM 586 CG2 VAL B 18 5.676 -4.402 -5.190 1.00 0.00 C ATOM 0 H VAL B 18 3.381 -6.212 -4.729 1.00 0.00 H new ATOM 0 HA VAL B 18 5.813 -6.882 -6.152 1.00 0.00 H new ATOM 0 HB VAL B 18 5.155 -5.661 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.519 -4.893 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.380 -6.666 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.901 -5.857 -4.782 1.00 0.00 H new ATOM 0 HG21 VAL B 18 6.018 -3.552 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.290 -4.492 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.636 -4.249 -5.477 1.00 0.00 H new ATOM 596 N CYS B 19 4.950 -8.593 -3.451 1.00 0.00 N ATOM 597 CA CYS B 19 5.266 -9.760 -2.622 1.00 0.00 C ATOM 598 C CYS B 19 4.920 -11.109 -3.288 1.00 0.00 C ATOM 599 O CYS B 19 5.632 -12.098 -3.096 1.00 0.00 O ATOM 600 CB CYS B 19 4.526 -9.587 -1.293 1.00 0.00 C ATOM 601 SG CYS B 19 5.014 -10.734 0.015 1.00 0.00 S ATOM 0 H CYS B 19 4.107 -8.100 -3.155 1.00 0.00 H new ATOM 0 HA CYS B 19 6.345 -9.801 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS B 19 4.683 -8.568 -0.938 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.457 -9.700 -1.473 1.00 0.00 H new ATOM 606 N GLY B 20 3.848 -11.145 -4.088 1.00 0.00 N ATOM 607 CA GLY B 20 3.261 -12.355 -4.670 1.00 0.00 C ATOM 608 C GLY B 20 2.340 -13.090 -3.684 1.00 0.00 C ATOM 609 O GLY B 20 2.759 -13.458 -2.585 1.00 0.00 O ATOM 0 H GLY B 20 3.347 -10.298 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.695 -12.088 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.059 -13.026 -4.988 1.00 0.00 H new ATOM 613 N GLU B 21 1.088 -13.321 -4.101 1.00 0.00 N ATOM 614 CA GLU B 21 -0.009 -13.927 -3.319 1.00 0.00 C ATOM 615 C GLU B 21 -0.380 -13.171 -2.014 1.00 0.00 C ATOM 616 O GLU B 21 0.267 -12.202 -1.606 1.00 0.00 O ATOM 617 CB GLU B 21 0.240 -15.438 -3.091 1.00 0.00 C ATOM 618 CG GLU B 21 0.190 -16.294 -4.369 1.00 0.00 C ATOM 619 CD GLU B 21 1.418 -16.120 -5.287 1.00 0.00 C ATOM 620 OE1 GLU B 21 2.519 -16.614 -4.941 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 1.283 -15.521 -6.382 1.00 0.00 O ATOM 0 H GLU B 21 0.792 -13.078 -5.046 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.902 -13.821 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.215 -15.566 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.504 -15.814 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.104 -17.344 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.709 -16.040 -4.930 1.00 0.00 H new ATOM 628 N ARG B 22 -1.481 -13.592 -1.368 1.00 0.00 N ATOM 629 CA ARG B 22 -2.048 -12.978 -0.149 1.00 0.00 C ATOM 630 C ARG B 22 -1.378 -13.445 1.157 1.00 0.00 C ATOM 631 O ARG B 22 -1.527 -12.788 2.187 1.00 0.00 O ATOM 632 CB ARG B 22 -3.571 -13.232 -0.167 1.00 0.00 C ATOM 633 CG ARG B 22 -4.402 -12.596 0.964 1.00 0.00 C ATOM 634 CD ARG B 22 -4.201 -11.083 1.162 1.00 0.00 C ATOM 635 NE ARG B 22 -4.389 -10.302 -0.078 1.00 0.00 N ATOM 636 CZ ARG B 22 -5.529 -9.956 -0.651 1.00 0.00 C ATOM 637 NH1 ARG B 22 -6.690 -10.302 -0.170 1.00 0.00 N ATOM 638 NH2 ARG B 22 -5.520 -9.246 -1.742 1.00 0.00 N1+ ATOM 0 H ARG B 22 -2.021 -14.396 -1.689 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.845 -11.907 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.963 -12.872 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.735 -14.309 -0.142 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.457 -12.782 0.765 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.160 -13.103 1.898 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.901 -10.726 1.918 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.197 -10.904 1.547 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.538 -9.993 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.743 -10.862 0.681 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.545 -10.013 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.633 -8.957 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -6.400 -8.979 -2.184 1.00 0.00 H new ATOM 652 N GLY B 23 -0.640 -14.559 1.134 1.00 0.00 N ATOM 653 CA GLY B 23 0.037 -15.125 2.311 1.00 0.00 C ATOM 654 C GLY B 23 1.090 -14.177 2.902 1.00 0.00 C ATOM 655 O GLY B 23 2.009 -13.747 2.201 1.00 0.00 O ATOM 0 H GLY B 23 -0.492 -15.104 0.284 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.705 -15.358 3.075 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.515 -16.064 2.033 1.00 0.00 H new HETATM 659 N DHI B 24 0.950 -13.844 4.190 1.00 0.00 N HETATM 660 CA DHI B 24 1.741 -12.821 4.890 1.00 0.00 C HETATM 661 C DHI B 24 0.848 -11.879 5.717 1.00 0.00 C HETATM 662 O DHI B 24 -0.234 -12.258 6.174 1.00 0.00 O HETATM 663 CB DHI B 24 2.845 -13.466 5.743 1.00 0.00 C HETATM 664 CG DHI B 24 2.337 -14.300 6.892 1.00 0.00 C HETATM 665 ND1 DHI B 24 2.280 -13.901 8.231 1.00 0.00 N HETATM 666 CD2 DHI B 24 1.859 -15.574 6.791 1.00 0.00 C HETATM 667 CE1 DHI B 24 1.763 -14.945 8.904 1.00 0.00 C HETATM 668 NE2 DHI B 24 1.503 -15.963 8.064 1.00 0.00 N HETATM 0 HE2 DHI B 24 1.110 -16.867 8.325 1.00 0.00 H new HETATM 0 HE1 DHI B 24 1.581 -14.963 9.978 1.00 0.00 H new HETATM 0 HD2 DHI B 24 1.775 -16.168 5.881 1.00 0.00 H new HETATM 0 HD1 DHI B 24 2.571 -13.003 8.618 1.00 0.00 H new HETATM 0 HB3 DHI B 24 3.464 -14.093 5.101 1.00 0.00 H new HETATM 0 HB2 DHI B 24 3.489 -12.680 6.137 1.00 0.00 H new HETATM 0 HA DHI B 24 2.230 -12.205 4.136 1.00 0.00 H new HETATM 0 H DHI B 24 -0.065 -13.861 4.291 1.00 0.00 H new ATOM 676 N PHE B 25 1.303 -10.637 5.887 1.00 0.00 N ATOM 677 CA PHE B 25 0.545 -9.519 6.465 1.00 0.00 C ATOM 678 C PHE B 25 -0.804 -9.273 5.754 1.00 0.00 C ATOM 679 O PHE B 25 -0.917 -9.410 4.533 1.00 0.00 O ATOM 680 CB PHE B 25 1.455 -8.282 6.406 1.00 0.00 C ATOM 681 CG PHE B 25 0.784 -6.921 6.472 1.00 0.00 C ATOM 682 CD1 PHE B 25 0.209 -6.463 7.672 1.00 0.00 C ATOM 683 CD2 PHE B 25 0.760 -6.101 5.327 1.00 0.00 C ATOM 684 CE1 PHE B 25 -0.402 -5.196 7.717 1.00 0.00 C ATOM 685 CE2 PHE B 25 0.167 -4.829 5.379 1.00 0.00 C ATOM 686 CZ PHE B 25 -0.425 -4.379 6.572 1.00 0.00 C ATOM 0 H PHE B 25 2.249 -10.368 5.615 1.00 0.00 H new ATOM 0 HA PHE B 25 0.274 -9.754 7.494 1.00 0.00 H new ATOM 0 HB2 PHE B 25 2.167 -8.347 7.229 1.00 0.00 H new ATOM 0 HB3 PHE B 25 2.030 -8.330 5.482 1.00 0.00 H new ATOM 0 HD1 PHE B 25 0.237 -7.082 8.556 1.00 0.00 H new ATOM 0 HD2 PHE B 25 1.200 -6.452 4.405 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -0.855 -4.850 8.634 1.00 0.00 H new ATOM 0 HE2 PHE B 25 0.166 -4.197 4.503 1.00 0.00 H new ATOM 0 HZ PHE B 25 -0.896 -3.408 6.609 1.00 0.00 H new ATOM 696 N TYR B 26 -1.819 -8.877 6.530 1.00 0.00 N ATOM 697 CA TYR B 26 -3.176 -8.553 6.074 1.00 0.00 C ATOM 698 C TYR B 26 -3.457 -7.043 6.149 1.00 0.00 C ATOM 699 O TYR B 26 -3.345 -6.443 7.221 1.00 0.00 O ATOM 700 CB TYR B 26 -4.186 -9.342 6.919 1.00 0.00 C ATOM 701 CG TYR B 26 -5.625 -8.946 6.649 1.00 0.00 C ATOM 702 CD1 TYR B 26 -6.245 -9.338 5.449 1.00 0.00 C ATOM 703 CD2 TYR B 26 -6.319 -8.135 7.570 1.00 0.00 C ATOM 704 CE1 TYR B 26 -7.560 -8.925 5.169 1.00 0.00 C ATOM 705 CE2 TYR B 26 -7.639 -7.727 7.299 1.00 0.00 C ATOM 706 CZ TYR B 26 -8.265 -8.122 6.094 1.00 0.00 C ATOM 707 OH TYR B 26 -9.545 -7.740 5.822 1.00 0.00 O ATOM 0 H TYR B 26 -1.712 -8.769 7.539 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.273 -8.838 5.026 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.065 -10.407 6.719 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.965 -9.189 7.975 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.711 -9.956 4.742 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.837 -7.826 8.486 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.032 -9.222 4.244 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.172 -7.114 8.010 1.00 0.00 H new ATOM 0 HH TYR B 26 -9.887 -7.193 6.560 1.00 0.00 H new ATOM 717 N THR B 27 -3.883 -6.438 5.036 1.00 0.00 N ATOM 718 CA THR B 27 -4.358 -5.043 4.982 1.00 0.00 C ATOM 719 C THR B 27 -5.856 -4.945 5.334 1.00 0.00 C ATOM 720 O THR B 27 -6.686 -5.456 4.571 1.00 0.00 O ATOM 721 CB THR B 27 -4.111 -4.412 3.598 1.00 0.00 C ATOM 722 OG1 THR B 27 -4.652 -5.194 2.554 1.00 0.00 O ATOM 723 CG2 THR B 27 -2.621 -4.237 3.302 1.00 0.00 C ATOM 0 H THR B 27 -3.910 -6.907 4.131 1.00 0.00 H new ATOM 0 HA THR B 27 -3.784 -4.488 5.725 1.00 0.00 H new ATOM 0 HB THR B 27 -4.604 -3.441 3.638 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.499 -5.591 2.848 1.00 0.00 H new ATOM 0 HG21 THR B 27 -2.496 -3.789 2.316 1.00 0.00 H new ATOM 0 HG22 THR B 27 -2.174 -3.588 4.055 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.129 -5.209 3.324 1.00 0.00 H new ATOM 731 N PRO B 28 -6.252 -4.285 6.442 1.00 0.00 N ATOM 732 CA PRO B 28 -7.662 -4.087 6.785 1.00 0.00 C ATOM 733 C PRO B 28 -8.338 -3.018 5.907 1.00 0.00 C ATOM 734 O PRO B 28 -7.675 -2.153 5.323 1.00 0.00 O ATOM 735 CB PRO B 28 -7.666 -3.714 8.270 1.00 0.00 C ATOM 736 CG PRO B 28 -6.334 -2.989 8.448 1.00 0.00 C ATOM 737 CD PRO B 28 -5.400 -3.715 7.480 1.00 0.00 C ATOM 0 HA PRO B 28 -8.247 -4.988 6.599 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.511 -3.073 8.522 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.733 -4.596 8.907 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -6.418 -1.930 8.206 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -5.976 -3.054 9.476 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -4.672 -3.026 7.051 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -4.837 -4.495 7.993 1.00 0.00 H new ATOM 745 N LYS B 29 -9.675 -3.067 5.832 1.00 0.00 N ATOM 746 CA LYS B 29 -10.530 -2.148 5.058 1.00 0.00 C ATOM 747 C LYS B 29 -11.847 -1.860 5.796 1.00 0.00 C ATOM 748 O LYS B 29 -12.445 -2.778 6.363 1.00 0.00 O ATOM 749 CB LYS B 29 -10.768 -2.768 3.663 1.00 0.00 C ATOM 750 CG LYS B 29 -11.658 -1.953 2.707 1.00 0.00 C ATOM 751 CD LYS B 29 -11.064 -0.589 2.314 1.00 0.00 C ATOM 752 CE LYS B 29 -12.037 0.250 1.472 1.00 0.00 C ATOM 753 NZ LYS B 29 -12.289 -0.336 0.128 1.00 0.00 N1+ ATOM 0 H LYS B 29 -10.215 -3.776 6.328 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.034 -1.185 4.940 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -9.800 -2.921 3.185 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.217 -3.752 3.796 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.833 -2.536 1.803 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.629 -1.794 3.177 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.799 -0.037 3.216 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.143 -0.745 1.753 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.983 0.345 2.005 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.635 1.256 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.952 0.270 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.393 -0.403 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.699 -1.286 0.235 1.00 0.00 H new ATOM 767 N THR B 30 -12.287 -0.594 5.758 1.00 0.00 N ATOM 768 CA THR B 30 -13.529 -0.042 6.356 1.00 0.00 C ATOM 769 C THR B 30 -13.732 -0.451 7.826 1.00 0.00 C ATOM 770 O THR B 30 -14.577 -1.321 8.140 1.00 0.00 O ATOM 771 CB THR B 30 -14.755 -0.313 5.467 1.00 0.00 C ATOM 772 OG1 THR B 30 -14.446 0.032 4.129 1.00 0.00 O ATOM 773 CG2 THR B 30 -15.965 0.540 5.862 1.00 0.00 C ATOM 774 OXT THR B 30 -13.025 0.126 8.683 1.00 0.00 O1- ATOM 0 H THR B 30 -11.752 0.129 5.276 1.00 0.00 H new ATOM 0 HA THR B 30 -13.406 1.041 6.390 1.00 0.00 H new ATOM 0 HB THR B 30 -14.999 -1.369 5.585 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.224 -0.141 3.559 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.803 0.310 5.204 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.243 0.322 6.893 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.711 1.596 5.771 1.00 0.00 H new TER 782 THR B 30