USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0.304! (180deg=-0.0161!) USER MOD Single : A 5 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.3) USER MOD Single : A 8 THR OG1 : rot -57:sc= 0.126 USER MOD Single : A 9 SER OG : rot -78:sc= -0.57 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.78) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -2.19! USER MOD Single : A 21 ASN : amide:sc= -1.69! C(o=-1.7!,f=-6!) USER MOD Single : B 1 PHE N :NH3+ -150:sc= 0.0283 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -5.73! C(o=-5.7!,f=-5.1!) USER MOD Single : B 4 GLN : amide:sc= -3.24 K(o=-3.2,f=-5.9!) USER MOD Single : B 5 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.36) USER MOD Single : B 9 SER OG : rot 180:sc= -0.0228 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 72:sc= -0.269! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.770 7.454 0.253 1.00 0.00 N ATOM 2 CA GLY A 1 -8.134 6.199 0.850 1.00 0.00 C ATOM 3 C GLY A 1 -6.698 5.904 0.579 1.00 0.00 C ATOM 4 O GLY A 1 -5.973 6.727 0.058 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.718 7.589 0.658 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.179 8.281 0.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.847 7.347 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.258 6.253 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.714 5.343 0.505 1.00 0.00 H new ATOM 10 N ILE A 2 -6.251 4.728 0.922 1.00 0.00 N ATOM 11 CA ILE A 2 -4.825 4.371 0.676 1.00 0.00 C ATOM 12 C ILE A 2 -4.420 4.831 -0.723 1.00 0.00 C ATOM 13 O ILE A 2 -3.376 5.420 -0.917 1.00 0.00 O ATOM 14 CB ILE A 2 -4.658 2.856 0.792 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.208 2.466 0.437 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.651 2.163 -0.145 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.079 2.121 -1.054 1.00 0.00 C ATOM 0 H ILE A 2 -6.811 3.998 1.362 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.189 4.863 1.413 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.861 2.538 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.536 3.288 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.900 1.612 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.534 1.082 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.668 2.440 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.459 2.473 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.047 1.850 -1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.734 1.283 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.364 2.985 -1.653 1.00 0.00 H new ATOM 29 N VAL A 3 -5.239 4.565 -1.703 1.00 0.00 N ATOM 30 CA VAL A 3 -4.899 4.983 -3.091 1.00 0.00 C ATOM 31 C VAL A 3 -4.571 6.477 -3.117 1.00 0.00 C ATOM 32 O VAL A 3 -3.784 6.930 -3.921 1.00 0.00 O ATOM 33 CB VAL A 3 -6.088 4.709 -4.013 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.843 5.371 -5.371 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.247 3.198 -4.205 1.00 0.00 C ATOM 0 H VAL A 3 -6.129 4.076 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.032 4.417 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.995 5.117 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.690 5.176 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.728 6.447 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.936 4.962 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.094 3.002 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.340 2.790 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.420 2.725 -3.239 1.00 0.00 H new ATOM 45 N GLU A 4 -5.168 7.248 -2.249 1.00 0.00 N ATOM 46 CA GLU A 4 -4.888 8.712 -2.238 1.00 0.00 C ATOM 47 C GLU A 4 -3.459 8.965 -1.748 1.00 0.00 C ATOM 48 O GLU A 4 -2.565 9.229 -2.527 1.00 0.00 O ATOM 49 CB GLU A 4 -5.876 9.417 -1.306 1.00 0.00 C ATOM 50 CG GLU A 4 -7.106 9.853 -2.104 1.00 0.00 C ATOM 51 CD GLU A 4 -8.183 10.362 -1.145 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.273 9.831 -0.050 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.900 11.275 -1.520 1.00 0.00 O ATOM 0 H GLU A 4 -5.836 6.928 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.997 9.103 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.172 8.748 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.402 10.284 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.835 10.636 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.490 9.016 -2.687 1.00 0.00 H new ATOM 60 N GLN A 5 -3.240 8.891 -0.464 1.00 0.00 N ATOM 61 CA GLN A 5 -1.872 9.131 0.082 1.00 0.00 C ATOM 62 C GLN A 5 -0.830 8.463 -0.818 1.00 0.00 C ATOM 63 O GLN A 5 0.303 8.893 -0.896 1.00 0.00 O ATOM 64 CB GLN A 5 -1.778 8.543 1.490 1.00 0.00 C ATOM 65 CG GLN A 5 -1.664 9.677 2.511 1.00 0.00 C ATOM 66 CD GLN A 5 -2.649 9.432 3.654 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.809 8.314 4.105 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.322 10.436 4.146 1.00 0.00 N ATOM 0 H GLN A 5 -3.952 8.674 0.234 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.682 10.204 0.118 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.658 7.936 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.912 7.885 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.647 9.731 2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.875 10.634 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.188 11.374 3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.982 10.283 4.909 1.00 0.00 H new ATOM 77 N CYS A 6 -1.202 7.414 -1.497 1.00 0.00 N ATOM 78 CA CYS A 6 -0.232 6.720 -2.387 1.00 0.00 C ATOM 79 C CYS A 6 -0.311 7.325 -3.792 1.00 0.00 C ATOM 80 O CYS A 6 0.690 7.499 -4.459 1.00 0.00 O ATOM 81 CB CYS A 6 -0.574 5.231 -2.434 1.00 0.00 C ATOM 82 SG CYS A 6 -0.765 4.610 -0.745 1.00 0.00 S ATOM 0 H CYS A 6 -2.137 7.007 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 6 0.781 6.843 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.494 5.075 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.213 4.681 -2.949 1.00 0.00 H new ATOM 87 N CYS A 7 -1.491 7.652 -4.247 1.00 0.00 N ATOM 88 CA CYS A 7 -1.631 8.246 -5.605 1.00 0.00 C ATOM 89 C CYS A 7 -1.531 9.770 -5.513 1.00 0.00 C ATOM 90 O CYS A 7 -0.762 10.392 -6.219 1.00 0.00 O ATOM 91 CB CYS A 7 -2.987 7.850 -6.192 1.00 0.00 C ATOM 92 SG CYS A 7 -3.170 8.574 -7.841 1.00 0.00 S ATOM 0 H CYS A 7 -2.365 7.532 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.834 7.875 -6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.067 6.764 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.791 8.194 -5.541 1.00 0.00 H new ATOM 97 N THR A 8 -2.291 10.377 -4.643 1.00 0.00 N ATOM 98 CA THR A 8 -2.223 11.859 -4.506 1.00 0.00 C ATOM 99 C THR A 8 -1.145 12.217 -3.478 1.00 0.00 C ATOM 100 O THR A 8 -1.288 13.142 -2.704 1.00 0.00 O ATOM 101 CB THR A 8 -3.582 12.397 -4.046 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.625 13.802 -4.249 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.788 12.086 -2.562 1.00 0.00 C ATOM 0 H THR A 8 -2.954 9.912 -4.023 1.00 0.00 H new ATOM 0 HA THR A 8 -1.973 12.307 -5.468 1.00 0.00 H new ATOM 0 HB THR A 8 -4.374 11.920 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.887 14.226 -3.762 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.756 12.471 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.757 11.007 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.998 12.558 -1.978 1.00 0.00 H new ATOM 111 N SER A 9 -0.066 11.481 -3.469 1.00 0.00 N ATOM 112 CA SER A 9 1.032 11.752 -2.502 1.00 0.00 C ATOM 113 C SER A 9 1.971 10.543 -2.491 1.00 0.00 C ATOM 114 O SER A 9 1.855 9.653 -3.310 1.00 0.00 O ATOM 115 CB SER A 9 0.444 11.979 -1.105 1.00 0.00 C ATOM 116 OG SER A 9 0.967 11.014 -0.200 1.00 0.00 O ATOM 0 H SER A 9 0.101 10.696 -4.098 1.00 0.00 H new ATOM 0 HA SER A 9 1.583 12.646 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.684 12.984 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.643 11.906 -1.141 1.00 0.00 H new ATOM 0 HG SER A 9 0.508 10.158 -0.333 1.00 0.00 H new ATOM 122 N ILE A 10 2.897 10.496 -1.577 1.00 0.00 N ATOM 123 CA ILE A 10 3.829 9.336 -1.533 1.00 0.00 C ATOM 124 C ILE A 10 3.397 8.376 -0.423 1.00 0.00 C ATOM 125 O ILE A 10 2.890 8.786 0.602 1.00 0.00 O ATOM 126 CB ILE A 10 5.247 9.835 -1.255 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.795 10.518 -2.511 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.142 8.654 -0.870 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.188 9.461 -3.543 1.00 0.00 C ATOM 0 H ILE A 10 3.049 11.207 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 10 3.808 8.815 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 10 5.231 10.549 -0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.043 11.187 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.660 11.130 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.152 9.012 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.746 8.174 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.166 7.934 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.577 9.951 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.954 8.810 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.313 8.868 -3.808 1.00 0.00 H new ATOM 141 N CYS A 11 3.600 7.102 -0.617 1.00 0.00 N ATOM 142 CA CYS A 11 3.205 6.122 0.433 1.00 0.00 C ATOM 143 C CYS A 11 4.433 5.322 0.870 1.00 0.00 C ATOM 144 O CYS A 11 5.385 5.176 0.129 1.00 0.00 O ATOM 145 CB CYS A 11 2.146 5.166 -0.123 1.00 0.00 C ATOM 146 SG CYS A 11 0.497 5.749 0.347 1.00 0.00 S ATOM 0 H CYS A 11 4.021 6.699 -1.454 1.00 0.00 H new ATOM 0 HA CYS A 11 2.793 6.657 1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.227 5.109 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.311 4.160 0.263 1.00 0.00 H new ATOM 151 N SER A 12 4.421 4.801 2.064 1.00 0.00 N ATOM 152 CA SER A 12 5.590 4.011 2.542 1.00 0.00 C ATOM 153 C SER A 12 5.339 2.527 2.289 1.00 0.00 C ATOM 154 O SER A 12 4.283 2.004 2.586 1.00 0.00 O ATOM 155 CB SER A 12 5.792 4.250 4.038 1.00 0.00 C ATOM 156 OG SER A 12 5.098 3.249 4.770 1.00 0.00 O ATOM 0 H SER A 12 3.653 4.888 2.730 1.00 0.00 H new ATOM 0 HA SER A 12 6.484 4.324 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.854 4.225 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.425 5.239 4.313 1.00 0.00 H new ATOM 0 HG SER A 12 5.226 3.398 5.730 1.00 0.00 H new ATOM 162 N LEU A 13 6.302 1.846 1.738 1.00 0.00 N ATOM 163 CA LEU A 13 6.120 0.398 1.459 1.00 0.00 C ATOM 164 C LEU A 13 5.501 -0.282 2.680 1.00 0.00 C ATOM 165 O LEU A 13 4.715 -1.201 2.560 1.00 0.00 O ATOM 166 CB LEU A 13 7.477 -0.238 1.152 1.00 0.00 C ATOM 167 CG LEU A 13 7.481 -0.757 -0.287 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.557 0.427 -1.255 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.695 -1.664 -0.497 1.00 0.00 C ATOM 0 H LEU A 13 7.208 2.230 1.469 1.00 0.00 H new ATOM 0 HA LEU A 13 5.460 0.274 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.273 0.494 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.673 -1.056 1.846 1.00 0.00 H new ATOM 0 HG LEU A 13 6.567 -1.322 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.560 0.059 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.694 1.076 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.471 0.991 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.699 -2.035 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.608 -1.098 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.644 -2.506 0.193 1.00 0.00 H new ATOM 181 N TYR A 14 5.847 0.164 3.855 1.00 0.00 N ATOM 182 CA TYR A 14 5.279 -0.452 5.087 1.00 0.00 C ATOM 183 C TYR A 14 3.756 -0.500 4.977 1.00 0.00 C ATOM 184 O TYR A 14 3.152 -1.553 5.010 1.00 0.00 O ATOM 185 CB TYR A 14 5.669 0.395 6.301 1.00 0.00 C ATOM 186 CG TYR A 14 6.634 -0.369 7.174 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.012 -0.292 6.928 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.155 -1.151 8.233 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.909 -0.997 7.741 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.052 -1.856 9.045 1.00 0.00 C ATOM 191 CZ TYR A 14 8.429 -1.779 8.800 1.00 0.00 C ATOM 192 OH TYR A 14 9.313 -2.474 9.601 1.00 0.00 O ATOM 0 H TYR A 14 6.500 0.931 4.016 1.00 0.00 H new ATOM 0 HA TYR A 14 5.669 -1.463 5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.124 1.329 5.972 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.779 0.658 6.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.382 0.311 6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.094 -1.210 8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.971 -0.938 7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.682 -2.459 9.861 1.00 0.00 H new ATOM 0 HH TYR A 14 8.816 -2.965 10.288 1.00 0.00 H new ATOM 202 N GLN A 15 3.131 0.636 4.850 1.00 0.00 N ATOM 203 CA GLN A 15 1.632 0.646 4.741 1.00 0.00 C ATOM 204 C GLN A 15 1.217 -0.162 3.512 1.00 0.00 C ATOM 205 O GLN A 15 0.140 -0.725 3.461 1.00 0.00 O ATOM 206 CB GLN A 15 1.078 2.083 4.607 1.00 0.00 C ATOM 207 CG GLN A 15 1.246 2.847 5.931 1.00 0.00 C ATOM 208 CD GLN A 15 0.882 1.938 7.107 1.00 0.00 C ATOM 209 OE1 GLN A 15 -0.260 1.887 7.520 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.812 1.213 7.667 1.00 0.00 N ATOM 0 H GLN A 15 3.579 1.552 4.816 1.00 0.00 H new ATOM 0 HA GLN A 15 1.223 0.207 5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.601 2.608 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.024 2.049 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.274 3.194 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.610 3.732 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.770 1.256 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.580 0.603 8.451 1.00 0.00 H new ATOM 219 N LEU A 16 2.058 -0.225 2.517 1.00 0.00 N ATOM 220 CA LEU A 16 1.712 -0.988 1.298 1.00 0.00 C ATOM 221 C LEU A 16 1.787 -2.489 1.580 1.00 0.00 C ATOM 222 O LEU A 16 0.959 -3.254 1.127 1.00 0.00 O ATOM 223 CB LEU A 16 2.693 -0.628 0.187 1.00 0.00 C ATOM 224 CG LEU A 16 2.031 -0.892 -1.156 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.875 0.088 -1.358 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.057 -0.718 -2.279 1.00 0.00 C ATOM 0 H LEU A 16 2.974 0.224 2.501 1.00 0.00 H new ATOM 0 HA LEU A 16 0.697 -0.736 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.984 0.420 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.604 -1.219 0.282 1.00 0.00 H new ATOM 0 HG LEU A 16 1.647 -1.912 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.401 -0.102 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.143 -0.043 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.256 1.109 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.580 -0.908 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.446 0.300 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.877 -1.422 -2.135 1.00 0.00 H new ATOM 238 N GLU A 17 2.767 -2.923 2.324 1.00 0.00 N ATOM 239 CA GLU A 17 2.869 -4.379 2.619 1.00 0.00 C ATOM 240 C GLU A 17 1.792 -4.765 3.630 1.00 0.00 C ATOM 241 O GLU A 17 1.557 -5.929 3.888 1.00 0.00 O ATOM 242 CB GLU A 17 4.252 -4.698 3.188 1.00 0.00 C ATOM 243 CG GLU A 17 5.211 -5.028 2.044 1.00 0.00 C ATOM 244 CD GLU A 17 5.506 -6.529 2.041 1.00 0.00 C ATOM 245 OE1 GLU A 17 4.577 -7.294 1.847 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.657 -6.887 2.233 1.00 0.00 O ATOM 0 H GLU A 17 3.494 -2.339 2.736 1.00 0.00 H new ATOM 0 HA GLU A 17 2.725 -4.947 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.627 -3.848 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.188 -5.540 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.773 -4.731 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.137 -4.465 2.158 1.00 0.00 H new ATOM 253 N ASN A 18 1.125 -3.798 4.198 1.00 0.00 N ATOM 254 CA ASN A 18 0.053 -4.116 5.180 1.00 0.00 C ATOM 255 C ASN A 18 -1.181 -4.604 4.422 1.00 0.00 C ATOM 256 O ASN A 18 -2.104 -5.148 4.996 1.00 0.00 O ATOM 257 CB ASN A 18 -0.301 -2.860 5.980 1.00 0.00 C ATOM 258 CG ASN A 18 0.241 -2.992 7.404 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.300 -2.484 7.714 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.445 -3.660 8.291 1.00 0.00 N ATOM 0 H ASN A 18 1.276 -2.804 4.024 1.00 0.00 H new ATOM 0 HA ASN A 18 0.398 -4.890 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.122 -1.978 5.499 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.382 -2.723 6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.092 -3.755 9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.334 -4.087 8.032 1.00 0.00 H new ATOM 267 N TYR A 19 -1.201 -4.414 3.129 1.00 0.00 N ATOM 268 CA TYR A 19 -2.371 -4.866 2.327 1.00 0.00 C ATOM 269 C TYR A 19 -2.132 -6.299 1.843 1.00 0.00 C ATOM 270 O TYR A 19 -3.000 -6.921 1.262 1.00 0.00 O ATOM 271 CB TYR A 19 -2.554 -3.936 1.125 1.00 0.00 C ATOM 272 CG TYR A 19 -3.257 -2.678 1.575 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.536 -1.662 2.217 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.633 -2.530 1.357 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.191 -0.499 2.643 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.288 -1.366 1.781 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.567 -0.352 2.424 1.00 0.00 C ATOM 278 OH TYR A 19 -5.214 0.791 2.847 1.00 0.00 O ATOM 0 H TYR A 19 -0.457 -3.965 2.595 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.270 -4.839 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.586 -3.690 0.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.135 -4.434 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.475 -1.776 2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.189 -3.313 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.636 0.283 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.348 -1.251 1.612 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.165 0.733 2.616 1.00 0.00 H new ATOM 288 N CYS A 20 -0.962 -6.828 2.081 1.00 0.00 N ATOM 289 CA CYS A 20 -0.668 -8.220 1.639 1.00 0.00 C ATOM 290 C CYS A 20 -1.685 -9.177 2.266 1.00 0.00 C ATOM 291 O CYS A 20 -1.454 -9.744 3.315 1.00 0.00 O ATOM 292 CB CYS A 20 0.740 -8.609 2.096 1.00 0.00 C ATOM 293 SG CYS A 20 1.760 -8.994 0.653 1.00 0.00 S ATOM 0 H CYS A 20 -0.197 -6.355 2.563 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.731 -8.280 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.188 -7.793 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.692 -9.471 2.761 1.00 0.00 H new ATOM 298 N ASN A 21 -2.809 -9.362 1.631 1.00 0.00 N ATOM 299 CA ASN A 21 -3.838 -10.284 2.191 1.00 0.00 C ATOM 300 C ASN A 21 -3.182 -11.612 2.575 1.00 0.00 C ATOM 301 O ASN A 21 -3.041 -11.860 3.761 1.00 0.00 O ATOM 302 CB ASN A 21 -4.923 -10.538 1.142 1.00 0.00 C ATOM 303 CG ASN A 21 -5.413 -9.203 0.580 1.00 0.00 C ATOM 304 OD1 ASN A 21 -5.541 -9.045 -0.618 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.694 -8.227 1.400 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.832 -12.359 1.676 1.00 0.00 O ATOM 0 H ASN A 21 -3.060 -8.915 0.749 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.286 -9.831 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.528 -11.160 0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.754 -11.084 1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.021 -7.332 1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.587 -8.359 2.406 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.924 1.501 -2.286 1.00 0.00 N ATOM 315 CA PHE B 1 12.887 1.801 -3.313 1.00 0.00 C ATOM 316 C PHE B 1 13.041 3.252 -3.783 1.00 0.00 C ATOM 317 O PHE B 1 14.125 3.799 -3.797 1.00 0.00 O ATOM 318 CB PHE B 1 11.495 1.598 -2.704 1.00 0.00 C ATOM 319 CG PHE B 1 10.622 0.833 -3.674 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.834 -0.538 -3.879 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.602 1.495 -4.371 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.027 -1.244 -4.781 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.796 0.787 -5.273 1.00 0.00 C ATOM 324 CZ PHE B 1 9.009 -0.582 -5.477 1.00 0.00 C ATOM 0 H1 PHE B 1 14.174 0.492 -2.330 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.771 2.076 -2.469 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.552 1.725 -1.341 1.00 0.00 H new ATOM 0 HA PHE B 1 13.009 1.132 -4.165 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.575 1.053 -1.763 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.043 2.563 -2.476 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.619 -1.049 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.437 2.551 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.191 -2.300 -4.939 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.011 1.297 -5.811 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.387 -1.127 -6.172 1.00 0.00 H new ATOM 336 N VAL B 2 11.962 3.876 -4.170 1.00 0.00 N ATOM 337 CA VAL B 2 12.033 5.287 -4.642 1.00 0.00 C ATOM 338 C VAL B 2 10.652 5.926 -4.438 1.00 0.00 C ATOM 339 O VAL B 2 9.712 5.243 -4.084 1.00 0.00 O ATOM 340 CB VAL B 2 12.440 5.298 -6.129 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.895 4.051 -6.829 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.887 6.539 -6.831 1.00 0.00 C ATOM 0 H VAL B 2 11.028 3.465 -4.179 1.00 0.00 H new ATOM 0 HA VAL B 2 12.775 5.856 -4.083 1.00 0.00 H new ATOM 0 HB VAL B 2 13.529 5.310 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.187 4.066 -7.879 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.302 3.159 -6.352 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.808 4.038 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.186 6.527 -7.879 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.799 6.541 -6.764 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.282 7.435 -6.351 1.00 0.00 H new ATOM 352 N ASN B 3 10.531 7.223 -4.644 1.00 0.00 N ATOM 353 CA ASN B 3 9.211 7.919 -4.457 1.00 0.00 C ATOM 354 C ASN B 3 8.062 6.933 -4.680 1.00 0.00 C ATOM 355 O ASN B 3 7.884 6.403 -5.758 1.00 0.00 O ATOM 356 CB ASN B 3 9.094 9.070 -5.460 1.00 0.00 C ATOM 357 CG ASN B 3 9.839 8.709 -6.745 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.360 7.923 -7.539 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.001 9.252 -6.985 1.00 0.00 N ATOM 0 H ASN B 3 11.296 7.832 -4.935 1.00 0.00 H new ATOM 0 HA ASN B 3 9.156 8.309 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.045 9.269 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.509 9.982 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.507 9.017 -7.839 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.403 9.912 -6.319 1.00 0.00 H new ATOM 366 N GLN B 4 7.302 6.659 -3.656 1.00 0.00 N ATOM 367 CA GLN B 4 6.191 5.681 -3.795 1.00 0.00 C ATOM 368 C GLN B 4 4.980 6.328 -4.467 1.00 0.00 C ATOM 369 O GLN B 4 3.943 6.504 -3.859 1.00 0.00 O ATOM 370 CB GLN B 4 5.793 5.170 -2.411 1.00 0.00 C ATOM 371 CG GLN B 4 6.163 3.691 -2.288 1.00 0.00 C ATOM 372 CD GLN B 4 7.586 3.564 -1.739 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.418 2.900 -2.324 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.902 4.179 -0.632 1.00 0.00 N ATOM 0 H GLN B 4 7.404 7.071 -2.729 1.00 0.00 H new ATOM 0 HA GLN B 4 6.530 4.852 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.300 5.748 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.722 5.302 -2.257 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.460 3.183 -1.627 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.093 3.206 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.203 4.737 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.848 4.102 -0.258 1.00 0.00 H new ATOM 383 N HIS B 5 5.091 6.653 -5.724 1.00 0.00 N ATOM 384 CA HIS B 5 3.933 7.250 -6.441 1.00 0.00 C ATOM 385 C HIS B 5 3.050 6.100 -6.918 1.00 0.00 C ATOM 386 O HIS B 5 3.427 5.337 -7.785 1.00 0.00 O ATOM 387 CB HIS B 5 4.429 8.057 -7.643 1.00 0.00 C ATOM 388 CG HIS B 5 4.700 9.473 -7.218 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.749 10.219 -6.552 1.00 0.00 N ATOM 390 CD2 HIS B 5 5.807 10.261 -7.368 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.297 11.421 -6.322 1.00 0.00 C ATOM 392 NE2 HIS B 5 5.555 11.493 -6.803 1.00 0.00 N ATOM 0 H HIS B 5 5.934 6.531 -6.285 1.00 0.00 H new ATOM 0 HA HIS B 5 3.375 7.918 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.336 7.607 -8.047 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.684 8.041 -8.438 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.728 9.967 -7.850 1.00 0.00 H new ATOM 0 HE1 HIS B 5 3.794 12.231 -5.815 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.188 12.292 -6.758 1.00 0.00 H new ATOM 400 N LEU B 6 1.897 5.941 -6.339 1.00 0.00 N ATOM 401 CA LEU B 6 1.021 4.806 -6.744 1.00 0.00 C ATOM 402 C LEU B 6 -0.334 5.310 -7.232 1.00 0.00 C ATOM 403 O LEU B 6 -1.106 5.869 -6.483 1.00 0.00 O ATOM 404 CB LEU B 6 0.802 3.896 -5.541 1.00 0.00 C ATOM 405 CG LEU B 6 2.011 2.984 -5.351 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.060 3.683 -4.483 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.555 1.703 -4.661 1.00 0.00 C ATOM 0 H LEU B 6 1.522 6.543 -5.606 1.00 0.00 H new ATOM 0 HA LEU B 6 1.507 4.264 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.644 4.496 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.097 3.297 -5.686 1.00 0.00 H new ATOM 0 HG LEU B 6 2.451 2.752 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.920 3.026 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.379 4.605 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.630 3.916 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.410 1.042 -4.519 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.120 1.947 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.808 1.203 -5.278 1.00 0.00 H new ATOM 419 N CYS B 7 -0.640 5.089 -8.477 1.00 0.00 N ATOM 420 CA CYS B 7 -1.955 5.534 -9.007 1.00 0.00 C ATOM 421 C CYS B 7 -2.551 4.425 -9.875 1.00 0.00 C ATOM 422 O CYS B 7 -2.219 4.284 -11.035 1.00 0.00 O ATOM 423 CB CYS B 7 -1.765 6.800 -9.845 1.00 0.00 C ATOM 424 SG CYS B 7 -1.407 8.196 -8.750 1.00 0.00 S ATOM 0 H CYS B 7 -0.036 4.619 -9.151 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.631 5.749 -8.179 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.949 6.661 -10.554 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.663 7.002 -10.428 1.00 0.00 H new HETATM 429 N DAL B 8 -3.427 3.634 -9.318 1.00 0.00 N HETATM 430 CA DAL B 8 -4.044 2.530 -10.108 1.00 0.00 C HETATM 431 CB DAL B 8 -4.834 1.611 -9.173 1.00 0.00 C HETATM 432 C DAL B 8 -2.944 1.726 -10.809 1.00 0.00 C HETATM 433 O DAL B 8 -2.368 0.818 -10.243 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.163 1.190 -8.424 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.618 2.183 -8.677 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.285 0.804 -9.751 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.717 2.951 -10.855 1.00 0.00 H new HETATM 0 H DAL B 8 -3.570 3.681 -8.309 1.00 0.00 H new ATOM 439 N SER B 9 -2.658 2.053 -12.039 1.00 0.00 N ATOM 440 CA SER B 9 -1.604 1.319 -12.794 1.00 0.00 C ATOM 441 C SER B 9 -0.410 1.038 -11.882 1.00 0.00 C ATOM 442 O SER B 9 0.127 -0.050 -11.876 1.00 0.00 O ATOM 443 CB SER B 9 -1.148 2.167 -13.982 1.00 0.00 C ATOM 444 OG SER B 9 0.136 1.728 -14.406 1.00 0.00 O ATOM 0 H SER B 9 -3.114 2.804 -12.558 1.00 0.00 H new ATOM 0 HA SER B 9 -2.011 0.373 -13.152 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.863 2.082 -14.800 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.111 3.219 -13.700 1.00 0.00 H new ATOM 0 HG SER B 9 0.431 2.268 -15.169 1.00 0.00 H new ATOM 450 N ASP B 10 0.007 2.003 -11.106 1.00 0.00 N ATOM 451 CA ASP B 10 1.165 1.769 -10.196 1.00 0.00 C ATOM 452 C ASP B 10 0.651 1.190 -8.885 1.00 0.00 C ATOM 453 O ASP B 10 1.293 0.368 -8.260 1.00 0.00 O ATOM 454 CB ASP B 10 1.892 3.086 -9.919 1.00 0.00 C ATOM 455 CG ASP B 10 3.181 3.143 -10.740 1.00 0.00 C ATOM 456 OD1 ASP B 10 4.182 2.627 -10.270 1.00 0.00 O ATOM 457 OD2 ASP B 10 3.146 3.702 -11.823 1.00 0.00 O ATOM 0 H ASP B 10 -0.401 2.937 -11.063 1.00 0.00 H new ATOM 0 HA ASP B 10 1.861 1.074 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.249 3.929 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.121 3.170 -8.857 1.00 0.00 H new ATOM 462 N LEU B 11 -0.508 1.604 -8.471 1.00 0.00 N ATOM 463 CA LEU B 11 -1.074 1.071 -7.205 1.00 0.00 C ATOM 464 C LEU B 11 -0.930 -0.447 -7.223 1.00 0.00 C ATOM 465 O LEU B 11 -0.201 -1.030 -6.447 1.00 0.00 O ATOM 466 CB LEU B 11 -2.568 1.417 -7.121 1.00 0.00 C ATOM 467 CG LEU B 11 -2.884 2.222 -5.847 1.00 0.00 C ATOM 468 CD1 LEU B 11 -2.109 1.654 -4.658 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.508 3.695 -6.038 1.00 0.00 C ATOM 0 H LEU B 11 -1.090 2.289 -8.954 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.550 1.504 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.860 1.992 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.157 0.500 -7.130 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.954 2.147 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.341 2.232 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.393 0.613 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.039 1.711 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.738 4.250 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.442 3.774 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.076 4.111 -6.870 1.00 0.00 H new ATOM 481 N VAL B 12 -1.629 -1.082 -8.121 1.00 0.00 N ATOM 482 CA VAL B 12 -1.557 -2.561 -8.229 1.00 0.00 C ATOM 483 C VAL B 12 -0.128 -2.975 -8.587 1.00 0.00 C ATOM 484 O VAL B 12 0.449 -3.848 -7.970 1.00 0.00 O ATOM 485 CB VAL B 12 -2.516 -3.018 -9.327 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.786 -4.514 -9.179 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.835 -2.252 -9.201 1.00 0.00 C ATOM 0 H VAL B 12 -2.253 -0.632 -8.791 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.835 -3.021 -7.281 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.070 -2.823 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.470 -4.839 -9.963 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.848 -5.063 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.232 -4.708 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.521 -2.577 -9.984 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.279 -2.449 -8.225 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.646 -1.183 -9.304 1.00 0.00 H new ATOM 497 N GLU B 13 0.450 -2.351 -9.577 1.00 0.00 N ATOM 498 CA GLU B 13 1.843 -2.705 -9.970 1.00 0.00 C ATOM 499 C GLU B 13 2.736 -2.671 -8.733 1.00 0.00 C ATOM 500 O GLU B 13 3.681 -3.426 -8.614 1.00 0.00 O ATOM 501 CB GLU B 13 2.360 -1.689 -10.987 1.00 0.00 C ATOM 502 CG GLU B 13 2.202 -2.253 -12.401 1.00 0.00 C ATOM 503 CD GLU B 13 2.620 -1.196 -13.423 1.00 0.00 C ATOM 504 OE1 GLU B 13 1.891 -0.230 -13.579 1.00 0.00 O ATOM 505 OE2 GLU B 13 3.662 -1.370 -14.035 1.00 0.00 O ATOM 0 H GLU B 13 0.018 -1.611 -10.130 1.00 0.00 H new ATOM 0 HA GLU B 13 1.855 -3.702 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.809 -0.753 -10.894 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.408 -1.463 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.813 -3.148 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.167 -2.550 -12.572 1.00 0.00 H new ATOM 512 N ALA B 14 2.440 -1.804 -7.809 1.00 0.00 N ATOM 513 CA ALA B 14 3.262 -1.722 -6.576 1.00 0.00 C ATOM 514 C ALA B 14 2.976 -2.952 -5.724 1.00 0.00 C ATOM 515 O ALA B 14 3.842 -3.769 -5.481 1.00 0.00 O ATOM 516 CB ALA B 14 2.879 -0.460 -5.801 1.00 0.00 C ATOM 0 H ALA B 14 1.661 -1.147 -7.856 1.00 0.00 H new ATOM 0 HA ALA B 14 4.322 -1.682 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.480 -0.394 -4.894 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.061 0.417 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.823 -0.503 -5.535 1.00 0.00 H new ATOM 522 N LEU B 15 1.758 -3.096 -5.289 1.00 0.00 N ATOM 523 CA LEU B 15 1.389 -4.280 -4.469 1.00 0.00 C ATOM 524 C LEU B 15 1.845 -5.537 -5.202 1.00 0.00 C ATOM 525 O LEU B 15 2.342 -6.474 -4.612 1.00 0.00 O ATOM 526 CB LEU B 15 -0.128 -4.312 -4.279 1.00 0.00 C ATOM 527 CG LEU B 15 -0.574 -3.032 -3.561 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.075 -2.797 -3.769 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.281 -3.166 -2.064 1.00 0.00 C ATOM 0 H LEU B 15 0.997 -2.440 -5.467 1.00 0.00 H new ATOM 0 HA LEU B 15 1.868 -4.227 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.626 -4.393 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.415 -5.188 -3.698 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.026 -2.184 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.375 -1.885 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.283 -2.697 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.635 -3.642 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.596 -2.259 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.826 -4.020 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.788 -3.315 -1.914 1.00 0.00 H new ATOM 541 N TYR B 16 1.686 -5.556 -6.495 1.00 0.00 N ATOM 542 CA TYR B 16 2.116 -6.744 -7.283 1.00 0.00 C ATOM 543 C TYR B 16 3.583 -7.049 -6.977 1.00 0.00 C ATOM 544 O TYR B 16 3.976 -8.190 -6.841 1.00 0.00 O ATOM 545 CB TYR B 16 1.957 -6.447 -8.775 1.00 0.00 C ATOM 546 CG TYR B 16 1.945 -7.742 -9.552 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.109 -8.517 -9.637 1.00 0.00 C ATOM 548 CD2 TYR B 16 0.772 -8.168 -10.187 1.00 0.00 C ATOM 549 CE1 TYR B 16 3.100 -9.718 -10.359 1.00 0.00 C ATOM 550 CE2 TYR B 16 0.763 -9.369 -10.909 1.00 0.00 C ATOM 551 CZ TYR B 16 1.927 -10.145 -10.994 1.00 0.00 C ATOM 552 OH TYR B 16 1.917 -11.327 -11.705 1.00 0.00 O ATOM 0 H TYR B 16 1.276 -4.799 -7.042 1.00 0.00 H new ATOM 0 HA TYR B 16 1.501 -7.604 -7.016 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.032 -5.898 -8.950 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.774 -5.813 -9.119 1.00 0.00 H new ATOM 0 HD1 TYR B 16 4.013 -8.189 -9.146 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.126 -7.571 -10.120 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.998 -10.314 -10.426 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.141 -9.697 -11.400 1.00 0.00 H new ATOM 0 HH TYR B 16 1.024 -11.475 -12.081 1.00 0.00 H new ATOM 562 N LEU B 17 4.397 -6.036 -6.867 1.00 0.00 N ATOM 563 CA LEU B 17 5.840 -6.267 -6.572 1.00 0.00 C ATOM 564 C LEU B 17 6.035 -6.436 -5.062 1.00 0.00 C ATOM 565 O LEU B 17 6.522 -7.449 -4.601 1.00 0.00 O ATOM 566 CB LEU B 17 6.657 -5.068 -7.060 1.00 0.00 C ATOM 567 CG LEU B 17 7.599 -5.515 -8.179 1.00 0.00 C ATOM 568 CD1 LEU B 17 7.668 -4.429 -9.253 1.00 0.00 C ATOM 569 CD2 LEU B 17 8.996 -5.750 -7.602 1.00 0.00 C ATOM 0 H LEU B 17 4.126 -5.058 -6.969 1.00 0.00 H new ATOM 0 HA LEU B 17 6.175 -7.170 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.992 -4.284 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.230 -4.645 -6.235 1.00 0.00 H new ATOM 0 HG LEU B 17 7.226 -6.439 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.339 -4.748 -10.050 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.673 -4.259 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.041 -3.505 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.669 -6.069 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.368 -4.825 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.948 -6.524 -6.836 1.00 0.00 H new ATOM 581 N VAL B 18 5.659 -5.454 -4.289 1.00 0.00 N ATOM 582 CA VAL B 18 5.828 -5.568 -2.809 1.00 0.00 C ATOM 583 C VAL B 18 5.112 -6.823 -2.317 1.00 0.00 C ATOM 584 O VAL B 18 5.575 -7.503 -1.422 1.00 0.00 O ATOM 585 CB VAL B 18 5.228 -4.345 -2.105 1.00 0.00 C ATOM 586 CG1 VAL B 18 6.296 -3.270 -1.950 1.00 0.00 C ATOM 587 CG2 VAL B 18 4.074 -3.783 -2.927 1.00 0.00 C ATOM 0 H VAL B 18 5.244 -4.581 -4.614 1.00 0.00 H new ATOM 0 HA VAL B 18 6.892 -5.624 -2.580 1.00 0.00 H new ATOM 0 HB VAL B 18 4.861 -4.648 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.868 -2.401 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.122 -3.661 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.663 -2.977 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.654 -2.915 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.438 -3.487 -3.911 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.303 -4.545 -3.040 1.00 0.00 H new ATOM 597 N CYS B 19 3.986 -7.138 -2.892 1.00 0.00 N ATOM 598 CA CYS B 19 3.247 -8.351 -2.445 1.00 0.00 C ATOM 599 C CYS B 19 3.345 -9.441 -3.516 1.00 0.00 C ATOM 600 O CYS B 19 3.931 -10.483 -3.301 1.00 0.00 O ATOM 601 CB CYS B 19 1.778 -8.002 -2.196 1.00 0.00 C ATOM 602 SG CYS B 19 1.591 -7.358 -0.517 1.00 0.00 S ATOM 0 H CYS B 19 3.547 -6.612 -3.648 1.00 0.00 H new ATOM 0 HA CYS B 19 3.689 -8.717 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.441 -7.261 -2.921 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.155 -8.886 -2.330 1.00 0.00 H new ATOM 607 N GLY B 20 2.774 -9.214 -4.669 1.00 0.00 N ATOM 608 CA GLY B 20 2.839 -10.243 -5.746 1.00 0.00 C ATOM 609 C GLY B 20 1.802 -11.334 -5.480 1.00 0.00 C ATOM 610 O GLY B 20 0.689 -11.064 -5.073 1.00 0.00 O ATOM 0 H GLY B 20 2.267 -8.363 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.654 -9.781 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.837 -10.679 -5.786 1.00 0.00 H new ATOM 614 N GLU B 21 2.160 -12.566 -5.712 1.00 0.00 N ATOM 615 CA GLU B 21 1.199 -13.680 -5.479 1.00 0.00 C ATOM 616 C GLU B 21 0.889 -13.793 -3.985 1.00 0.00 C ATOM 617 O GLU B 21 0.018 -14.537 -3.579 1.00 0.00 O ATOM 618 CB GLU B 21 1.813 -14.990 -5.973 1.00 0.00 C ATOM 619 CG GLU B 21 2.068 -14.901 -7.479 1.00 0.00 C ATOM 620 CD GLU B 21 2.374 -16.295 -8.029 1.00 0.00 C ATOM 621 OE1 GLU B 21 1.437 -17.049 -8.232 1.00 0.00 O ATOM 622 OE2 GLU B 21 3.540 -16.585 -8.237 1.00 0.00 O ATOM 0 H GLU B 21 3.078 -12.850 -6.054 1.00 0.00 H new ATOM 0 HA GLU B 21 0.276 -13.480 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.747 -15.187 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.143 -15.822 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.196 -14.484 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.903 -14.229 -7.678 1.00 0.00 H new ATOM 629 N ARG B 22 1.593 -13.064 -3.161 1.00 0.00 N ATOM 630 CA ARG B 22 1.330 -13.138 -1.694 1.00 0.00 C ATOM 631 C ARG B 22 -0.146 -12.847 -1.429 1.00 0.00 C ATOM 632 O ARG B 22 -0.676 -13.171 -0.384 1.00 0.00 O ATOM 633 CB ARG B 22 2.191 -12.107 -0.957 1.00 0.00 C ATOM 634 CG ARG B 22 3.645 -12.585 -0.927 1.00 0.00 C ATOM 635 CD ARG B 22 3.942 -13.234 0.426 1.00 0.00 C ATOM 636 NE ARG B 22 3.437 -12.357 1.520 1.00 0.00 N ATOM 637 CZ ARG B 22 3.251 -12.845 2.717 1.00 0.00 C ATOM 638 NH1 ARG B 22 2.627 -13.981 2.867 1.00 0.00 N ATOM 639 NH2 ARG B 22 3.688 -12.198 3.761 1.00 0.00 N ATOM 0 H ARG B 22 2.336 -12.423 -3.438 1.00 0.00 H new ATOM 0 HA ARG B 22 1.579 -14.136 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.125 -11.140 -1.455 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.821 -11.968 0.059 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.821 -13.300 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.319 -11.745 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.468 -14.214 0.483 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.015 -13.392 0.538 1.00 0.00 H new ATOM 0 HE ARG B 22 3.236 -11.374 1.334 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.285 -14.487 2.050 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.481 -14.363 3.801 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.176 -11.310 3.643 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.542 -12.580 4.696 1.00 0.00 H new ATOM 653 N GLY B 23 -0.816 -12.239 -2.368 1.00 0.00 N ATOM 654 CA GLY B 23 -2.261 -11.930 -2.170 1.00 0.00 C ATOM 655 C GLY B 23 -2.425 -10.449 -1.806 1.00 0.00 C ATOM 656 O GLY B 23 -2.588 -10.105 -0.653 1.00 0.00 O ATOM 0 H GLY B 23 -0.427 -11.943 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.819 -12.156 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.672 -12.557 -1.379 1.00 0.00 H new ATOM 660 N PHE B 24 -2.388 -9.568 -2.772 1.00 0.00 N ATOM 661 CA PHE B 24 -2.547 -8.118 -2.462 1.00 0.00 C ATOM 662 C PHE B 24 -3.869 -7.615 -3.042 1.00 0.00 C ATOM 663 O PHE B 24 -4.296 -8.030 -4.101 1.00 0.00 O ATOM 664 CB PHE B 24 -1.381 -7.319 -3.060 1.00 0.00 C ATOM 665 CG PHE B 24 -1.573 -7.161 -4.553 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.449 -6.185 -5.052 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.880 -7.998 -5.437 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.632 -6.053 -6.435 1.00 0.00 C ATOM 669 CE2 PHE B 24 -1.062 -7.863 -6.818 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.939 -6.892 -7.318 1.00 0.00 C ATOM 0 H PHE B 24 -2.255 -9.790 -3.759 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.549 -7.982 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.321 -6.339 -2.587 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.439 -7.829 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.981 -5.537 -4.372 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.205 -8.748 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.308 -5.304 -6.821 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.526 -8.508 -7.499 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.081 -6.790 -8.384 1.00 0.00 H new ATOM 680 N PHE B 25 -4.518 -6.723 -2.352 1.00 0.00 N ATOM 681 CA PHE B 25 -5.815 -6.183 -2.851 1.00 0.00 C ATOM 682 C PHE B 25 -5.996 -4.748 -2.350 1.00 0.00 C ATOM 683 O PHE B 25 -6.259 -4.515 -1.187 1.00 0.00 O ATOM 684 CB PHE B 25 -6.962 -7.053 -2.327 1.00 0.00 C ATOM 685 CG PHE B 25 -8.128 -6.993 -3.286 1.00 0.00 C ATOM 686 CD1 PHE B 25 -8.462 -5.784 -3.913 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.880 -8.147 -3.544 1.00 0.00 C ATOM 688 CE1 PHE B 25 -9.546 -5.731 -4.798 1.00 0.00 C ATOM 689 CE2 PHE B 25 -9.964 -8.093 -4.431 1.00 0.00 C ATOM 690 CZ PHE B 25 -10.297 -6.885 -5.057 1.00 0.00 C ATOM 0 H PHE B 25 -4.206 -6.341 -1.459 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.818 -6.191 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.626 -8.084 -2.212 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.272 -6.707 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.883 -4.894 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.624 -9.078 -3.060 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -9.803 -4.800 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.542 -8.983 -4.632 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.133 -6.843 -5.740 1.00 0.00 H new ATOM 700 N TYR B 26 -5.860 -3.782 -3.219 1.00 0.00 N ATOM 701 CA TYR B 26 -6.028 -2.365 -2.787 1.00 0.00 C ATOM 702 C TYR B 26 -7.519 -2.009 -2.784 1.00 0.00 C ATOM 703 O TYR B 26 -8.328 -2.685 -3.389 1.00 0.00 O ATOM 704 CB TYR B 26 -5.260 -1.441 -3.748 1.00 0.00 C ATOM 705 CG TYR B 26 -6.099 -1.137 -4.970 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.290 -2.114 -5.956 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.692 0.125 -5.111 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.074 -1.829 -7.083 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.477 0.409 -6.236 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.668 -0.567 -7.223 1.00 0.00 C ATOM 711 OH TYR B 26 -8.442 -0.287 -8.330 1.00 0.00 O ATOM 0 H TYR B 26 -5.640 -3.913 -4.206 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.630 -2.235 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.998 -0.513 -3.239 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.326 -1.915 -4.049 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.833 -3.087 -5.848 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.544 0.879 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.220 -2.582 -7.843 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.935 1.381 -6.343 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.779 0.631 -8.270 1.00 0.00 H new ATOM 721 N THR B 27 -7.891 -0.955 -2.110 1.00 0.00 N ATOM 722 CA THR B 27 -9.330 -0.565 -2.075 1.00 0.00 C ATOM 723 C THR B 27 -9.515 0.775 -2.790 1.00 0.00 C ATOM 724 O THR B 27 -8.561 1.429 -3.162 1.00 0.00 O ATOM 725 CB THR B 27 -9.792 -0.436 -0.622 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.678 -0.605 0.245 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.842 -1.507 -0.323 1.00 0.00 C ATOM 0 H THR B 27 -7.263 -0.348 -1.583 1.00 0.00 H new ATOM 0 HA THR B 27 -9.923 -1.329 -2.577 1.00 0.00 H new ATOM 0 HB THR B 27 -10.228 0.551 -0.464 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.972 -0.521 1.176 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.171 -1.415 0.712 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.695 -1.375 -0.988 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.409 -2.495 -0.480 1.00 0.00 H new ATOM 735 N LYS B 28 -10.739 1.189 -2.986 1.00 0.00 N ATOM 736 CA LYS B 28 -10.986 2.487 -3.676 1.00 0.00 C ATOM 737 C LYS B 28 -11.473 3.513 -2.635 1.00 0.00 C ATOM 738 O LYS B 28 -11.406 3.243 -1.452 1.00 0.00 O ATOM 739 CB LYS B 28 -12.048 2.286 -4.765 1.00 0.00 C ATOM 740 CG LYS B 28 -11.988 0.849 -5.294 1.00 0.00 C ATOM 741 CD LYS B 28 -13.031 0.667 -6.400 1.00 0.00 C ATOM 742 CE LYS B 28 -14.301 0.054 -5.807 1.00 0.00 C ATOM 743 NZ LYS B 28 -15.470 0.403 -6.664 1.00 0.00 N ATOM 0 H LYS B 28 -11.577 0.684 -2.698 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.071 2.852 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.039 2.493 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.883 2.990 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.992 0.634 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.175 0.144 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.259 1.628 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.636 0.023 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.197 -1.029 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.457 0.424 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.333 -0.014 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.572 1.437 -6.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.321 0.030 -7.623 1.00 0.00 H new ATOM 757 N PRO B 29 -11.945 4.664 -3.080 1.00 0.00 N ATOM 758 CA PRO B 29 -12.427 5.710 -2.161 1.00 0.00 C ATOM 759 C PRO B 29 -13.860 5.407 -1.713 1.00 0.00 C ATOM 760 O PRO B 29 -14.800 5.555 -2.470 1.00 0.00 O ATOM 761 CB PRO B 29 -12.379 6.985 -3.005 1.00 0.00 C ATOM 762 CG PRO B 29 -12.431 6.534 -4.485 1.00 0.00 C ATOM 763 CD PRO B 29 -12.044 5.041 -4.511 1.00 0.00 C ATOM 0 HA PRO B 29 -11.832 5.787 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.219 7.639 -2.769 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.469 7.550 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.428 6.682 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.743 7.122 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.795 4.444 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.099 4.884 -5.030 1.00 0.00 H new ATOM 771 N THR B 30 -14.036 4.985 -0.492 1.00 0.00 N ATOM 772 CA THR B 30 -15.408 4.674 0.000 1.00 0.00 C ATOM 773 C THR B 30 -16.101 3.730 -0.985 1.00 0.00 C ATOM 774 O THR B 30 -16.774 4.224 -1.875 1.00 0.00 O ATOM 775 CB THR B 30 -16.214 5.970 0.116 1.00 0.00 C ATOM 776 OG1 THR B 30 -15.548 7.005 -0.592 1.00 0.00 O ATOM 777 CG2 THR B 30 -16.348 6.360 1.589 1.00 0.00 C ATOM 778 OXT THR B 30 -15.946 2.530 -0.832 1.00 0.00 O ATOM 0 H THR B 30 -13.289 4.842 0.187 1.00 0.00 H new ATOM 0 HA THR B 30 -15.344 4.197 0.978 1.00 0.00 H new ATOM 0 HB THR B 30 -17.207 5.820 -0.309 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.632 6.848 -1.556 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.922 7.283 1.670 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.861 5.565 2.131 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.357 6.510 2.017 1.00 0.00 H new TER 786 THR B 30