USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 436 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 MET CE :methyl -152:sc= -2.14 (180deg=-1.07) USER MOD Set 1.2: B 191 MET CE :methyl -174:sc= -1.94 (180deg=-1.15) USER MOD Single : A 167 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 174 THR OG1 : rot 81:sc= 0.123 USER MOD Single : A 182 THR OG1 : rot 100:sc= 1.17 USER MOD Single : A 184 SER OG : rot 80:sc= 0.0247 USER MOD Single : A 186 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 167 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : B 169 THR OG1 : rot 180:sc= -1.14 USER MOD Single : B 171 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.2) USER MOD Single : B 172 THR OG1 : rot 180:sc= 0 USER MOD Single : B 174 THR OG1 : rot -98:sc= 0.353 USER MOD Single : B 182 THR OG1 : rot -102:sc= 0.774 USER MOD Single : B 184 SER OG : rot 180:sc= 0 USER MOD Single : B 186 THR OG1 : rot -82:sc= 0.821 USER MOD Single : B 189 LYS NZ :NH3+ -158:sc= -0.014 (180deg=-0.288) USER MOD Single : B 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 166 -6.128 -14.872 20.269 1.00 0.00 N ATOM 2 CA GLY A 166 -5.016 -13.882 20.183 1.00 0.00 C ATOM 3 C GLY A 166 -3.769 -14.464 20.839 1.00 0.00 C ATOM 4 O GLY A 166 -3.689 -14.548 22.070 1.00 0.00 O ATOM 0 HA2 GLY A 166 -4.812 -13.638 19.141 1.00 0.00 H new ATOM 0 HA3 GLY A 166 -5.301 -12.954 20.678 1.00 0.00 H new ATOM 10 N THR A 167 -2.802 -14.869 20.045 1.00 0.00 N ATOM 11 CA THR A 167 -1.545 -15.458 20.603 1.00 0.00 C ATOM 12 C THR A 167 -0.369 -14.492 20.346 1.00 0.00 C ATOM 13 O THR A 167 0.348 -14.642 19.349 1.00 0.00 O ATOM 14 CB THR A 167 -1.272 -16.825 19.949 1.00 0.00 C ATOM 15 OG1 THR A 167 -2.501 -17.519 19.794 1.00 0.00 O ATOM 16 CG2 THR A 167 -0.315 -17.672 20.810 1.00 0.00 C ATOM 0 H THR A 167 -2.833 -14.815 19.027 1.00 0.00 H new ATOM 0 HA THR A 167 -1.655 -15.605 21.677 1.00 0.00 H new ATOM 0 HB THR A 167 -0.804 -16.658 18.979 1.00 0.00 H new ATOM 0 HG1 THR A 167 -2.335 -18.390 19.376 1.00 0.00 H new ATOM 0 HG21 THR A 167 -0.141 -18.632 20.323 1.00 0.00 H new ATOM 0 HG22 THR A 167 0.633 -17.146 20.925 1.00 0.00 H new ATOM 0 HG23 THR A 167 -0.759 -17.838 21.791 1.00 0.00 H new ATOM 24 N PRO A 168 -0.146 -13.502 21.215 1.00 0.00 N ATOM 25 CA PRO A 168 0.973 -12.522 21.044 1.00 0.00 C ATOM 26 C PRO A 168 2.327 -13.124 21.409 1.00 0.00 C ATOM 27 O PRO A 168 2.394 -14.144 22.103 1.00 0.00 O ATOM 28 CB PRO A 168 0.607 -11.386 21.997 1.00 0.00 C ATOM 29 CG PRO A 168 -0.165 -12.037 23.092 1.00 0.00 C ATOM 30 CD PRO A 168 -0.922 -13.200 22.449 1.00 0.00 C ATOM 0 HA PRO A 168 1.079 -12.199 20.008 1.00 0.00 H new ATOM 0 HB2 PRO A 168 1.498 -10.891 22.382 1.00 0.00 H new ATOM 0 HB3 PRO A 168 0.012 -10.624 21.493 1.00 0.00 H new ATOM 0 HG2 PRO A 168 0.500 -12.393 23.878 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -0.855 -11.331 23.554 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -0.965 -14.063 23.113 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -1.951 -12.925 22.216 1.00 0.00 H new ATOM 38 N THR A 169 3.403 -12.514 20.954 1.00 0.00 N ATOM 39 CA THR A 169 4.783 -13.030 21.260 1.00 0.00 C ATOM 40 C THR A 169 4.969 -14.427 20.651 1.00 0.00 C ATOM 41 O THR A 169 5.780 -15.223 21.138 1.00 0.00 O ATOM 42 CB THR A 169 5.007 -13.077 22.783 1.00 0.00 C ATOM 43 OG1 THR A 169 4.419 -11.929 23.379 1.00 0.00 O ATOM 44 CG2 THR A 169 6.506 -13.101 23.101 1.00 0.00 C ATOM 0 H THR A 169 3.383 -11.672 20.378 1.00 0.00 H new ATOM 0 HA THR A 169 5.518 -12.355 20.821 1.00 0.00 H new ATOM 0 HB THR A 169 4.547 -13.981 23.181 1.00 0.00 H new ATOM 0 HG1 THR A 169 4.558 -11.956 24.349 1.00 0.00 H new ATOM 0 HG21 THR A 169 6.648 -13.134 24.181 1.00 0.00 H new ATOM 0 HG22 THR A 169 6.960 -13.982 22.648 1.00 0.00 H new ATOM 0 HG23 THR A 169 6.977 -12.204 22.700 1.00 0.00 H new ATOM 52 N TRP A 170 4.246 -14.737 19.593 1.00 0.00 N ATOM 53 CA TRP A 170 4.381 -16.075 18.938 1.00 0.00 C ATOM 54 C TRP A 170 5.477 -15.992 17.880 1.00 0.00 C ATOM 55 O TRP A 170 6.416 -16.794 17.886 1.00 0.00 O ATOM 56 CB TRP A 170 3.045 -16.491 18.296 1.00 0.00 C ATOM 57 CG TRP A 170 2.992 -17.982 18.088 1.00 0.00 C ATOM 58 CD1 TRP A 170 3.194 -18.921 19.048 1.00 0.00 C ATOM 59 CD2 TRP A 170 2.704 -18.714 16.860 1.00 0.00 C ATOM 60 NE1 TRP A 170 3.060 -20.176 18.482 1.00 0.00 N ATOM 61 CE2 TRP A 170 2.754 -20.102 17.139 1.00 0.00 C ATOM 62 CE3 TRP A 170 2.408 -18.314 15.544 1.00 0.00 C ATOM 63 CZ2 TRP A 170 2.523 -21.055 16.147 1.00 0.00 C ATOM 64 CZ3 TRP A 170 2.173 -19.273 14.545 1.00 0.00 C ATOM 65 CH2 TRP A 170 2.230 -20.641 14.846 1.00 0.00 C ATOM 0 H TRP A 170 3.566 -14.114 19.157 1.00 0.00 H new ATOM 0 HA TRP A 170 4.646 -16.826 19.682 1.00 0.00 H new ATOM 0 HB2 TRP A 170 2.218 -16.179 18.933 1.00 0.00 H new ATOM 0 HB3 TRP A 170 2.921 -15.981 17.340 1.00 0.00 H new ATOM 0 HD1 TRP A 170 3.422 -18.721 20.084 1.00 0.00 H new ATOM 0 HE1 TRP A 170 3.174 -21.050 18.995 1.00 0.00 H new ATOM 0 HE3 TRP A 170 2.361 -17.263 15.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 2.571 -22.108 16.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 1.947 -18.954 13.538 1.00 0.00 H new ATOM 0 HH2 TRP A 170 2.048 -21.373 14.073 1.00 0.00 H new ATOM 76 N GLN A 171 5.383 -15.031 16.991 1.00 0.00 N ATOM 77 CA GLN A 171 6.425 -14.857 15.928 1.00 0.00 C ATOM 78 C GLN A 171 7.732 -14.380 16.569 1.00 0.00 C ATOM 79 O GLN A 171 8.824 -14.714 16.095 1.00 0.00 O ATOM 80 CB GLN A 171 5.952 -13.831 14.895 1.00 0.00 C ATOM 81 CG GLN A 171 4.774 -14.409 14.101 1.00 0.00 C ATOM 82 CD GLN A 171 4.272 -13.415 13.046 1.00 0.00 C ATOM 83 OE1 GLN A 171 4.794 -12.303 12.915 1.00 0.00 O ATOM 84 NE2 GLN A 171 3.278 -13.758 12.274 1.00 0.00 N ATOM 0 H GLN A 171 4.621 -14.353 16.956 1.00 0.00 H new ATOM 0 HA GLN A 171 6.592 -15.811 15.429 1.00 0.00 H new ATOM 0 HB2 GLN A 171 5.651 -12.910 15.394 1.00 0.00 H new ATOM 0 HB3 GLN A 171 6.769 -13.576 14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 171 5.080 -15.335 13.615 1.00 0.00 H new ATOM 0 HG3 GLN A 171 3.962 -14.660 14.783 1.00 0.00 H new ATOM 0 HE21 GLN A 171 2.844 -14.675 12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 171 2.935 -13.109 11.566 1.00 0.00 H new ATOM 93 N THR A 172 7.636 -13.598 17.625 1.00 0.00 N ATOM 94 CA THR A 172 8.852 -13.062 18.313 1.00 0.00 C ATOM 95 C THR A 172 9.727 -14.212 18.808 1.00 0.00 C ATOM 96 O THR A 172 10.945 -14.195 18.613 1.00 0.00 O ATOM 97 CB THR A 172 8.435 -12.191 19.506 1.00 0.00 C ATOM 98 OG1 THR A 172 7.287 -11.434 19.154 1.00 0.00 O ATOM 99 CG2 THR A 172 9.574 -11.237 19.889 1.00 0.00 C ATOM 0 H THR A 172 6.752 -13.307 18.042 1.00 0.00 H new ATOM 0 HA THR A 172 9.418 -12.460 17.602 1.00 0.00 H new ATOM 0 HB THR A 172 8.210 -12.835 20.356 1.00 0.00 H new ATOM 0 HG1 THR A 172 7.016 -10.878 19.914 1.00 0.00 H new ATOM 0 HG21 THR A 172 9.266 -10.624 20.736 1.00 0.00 H new ATOM 0 HG22 THR A 172 10.457 -11.815 20.161 1.00 0.00 H new ATOM 0 HG23 THR A 172 9.809 -10.593 19.042 1.00 0.00 H new ATOM 107 N VAL A 173 9.144 -15.198 19.454 1.00 0.00 N ATOM 108 CA VAL A 173 9.952 -16.346 19.975 1.00 0.00 C ATOM 109 C VAL A 173 10.589 -17.106 18.810 1.00 0.00 C ATOM 110 O VAL A 173 11.722 -17.582 18.927 1.00 0.00 O ATOM 111 CB VAL A 173 9.112 -17.298 20.848 1.00 0.00 C ATOM 112 CG1 VAL A 173 8.708 -16.582 22.140 1.00 0.00 C ATOM 113 CG2 VAL A 173 7.847 -17.762 20.112 1.00 0.00 C ATOM 0 H VAL A 173 8.143 -15.255 19.642 1.00 0.00 H new ATOM 0 HA VAL A 173 10.736 -15.938 20.612 1.00 0.00 H new ATOM 0 HB VAL A 173 9.719 -18.174 21.074 1.00 0.00 H new ATOM 0 HG11 VAL A 173 8.114 -17.255 22.758 1.00 0.00 H new ATOM 0 HG12 VAL A 173 9.603 -16.283 22.686 1.00 0.00 H new ATOM 0 HG13 VAL A 173 8.119 -15.697 21.897 1.00 0.00 H new ATOM 0 HG21 VAL A 173 7.277 -18.432 20.755 1.00 0.00 H new ATOM 0 HG22 VAL A 173 7.236 -16.896 19.858 1.00 0.00 H new ATOM 0 HG23 VAL A 173 8.129 -18.288 19.200 1.00 0.00 H new ATOM 123 N THR A 174 9.878 -17.254 17.712 1.00 0.00 N ATOM 124 CA THR A 174 10.418 -18.014 16.540 1.00 0.00 C ATOM 125 C THR A 174 11.724 -17.389 16.038 1.00 0.00 C ATOM 126 O THR A 174 12.673 -18.122 15.733 1.00 0.00 O ATOM 127 CB THR A 174 9.378 -18.028 15.404 1.00 0.00 C ATOM 128 OG1 THR A 174 8.142 -18.510 15.911 1.00 0.00 O ATOM 129 CG2 THR A 174 9.835 -18.932 14.242 1.00 0.00 C ATOM 0 H THR A 174 8.940 -16.877 17.580 1.00 0.00 H new ATOM 0 HA THR A 174 10.625 -19.036 16.859 1.00 0.00 H new ATOM 0 HB THR A 174 9.266 -17.012 15.026 1.00 0.00 H new ATOM 0 HG1 THR A 174 7.675 -17.786 16.378 1.00 0.00 H new ATOM 0 HG21 THR A 174 9.081 -18.922 13.455 1.00 0.00 H new ATOM 0 HG22 THR A 174 10.780 -18.563 13.844 1.00 0.00 H new ATOM 0 HG23 THR A 174 9.968 -19.951 14.605 1.00 0.00 H new ATOM 137 N ILE A 175 11.802 -16.075 15.935 1.00 0.00 N ATOM 138 CA ILE A 175 13.066 -15.436 15.434 1.00 0.00 C ATOM 139 C ILE A 175 14.191 -15.699 16.447 1.00 0.00 C ATOM 140 O ILE A 175 15.326 -16.004 16.063 1.00 0.00 O ATOM 141 CB ILE A 175 12.846 -13.912 15.162 1.00 0.00 C ATOM 142 CG1 ILE A 175 13.801 -13.445 14.042 1.00 0.00 C ATOM 143 CG2 ILE A 175 13.085 -13.048 16.417 1.00 0.00 C ATOM 144 CD1 ILE A 175 13.306 -13.930 12.667 1.00 0.00 C ATOM 0 H ILE A 175 11.052 -15.426 16.174 1.00 0.00 H new ATOM 0 HA ILE A 175 13.357 -15.876 14.480 1.00 0.00 H new ATOM 0 HB ILE A 175 11.805 -13.784 14.863 1.00 0.00 H new ATOM 0 HG12 ILE A 175 13.870 -12.357 14.046 1.00 0.00 H new ATOM 0 HG13 ILE A 175 14.804 -13.829 14.229 1.00 0.00 H new ATOM 0 HG21 ILE A 175 12.919 -11.999 16.173 1.00 0.00 H new ATOM 0 HG22 ILE A 175 12.395 -13.351 17.204 1.00 0.00 H new ATOM 0 HG23 ILE A 175 14.110 -13.183 16.762 1.00 0.00 H new ATOM 0 HD11 ILE A 175 13.993 -13.590 11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 175 13.261 -15.019 12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 175 12.313 -13.525 12.474 1.00 0.00 H new ATOM 156 N PHE A 176 13.887 -15.587 17.723 1.00 0.00 N ATOM 157 CA PHE A 176 14.916 -15.824 18.783 1.00 0.00 C ATOM 158 C PHE A 176 15.390 -17.275 18.699 1.00 0.00 C ATOM 159 O PHE A 176 16.592 -17.551 18.754 1.00 0.00 O ATOM 160 CB PHE A 176 14.306 -15.567 20.175 1.00 0.00 C ATOM 161 CG PHE A 176 15.376 -15.152 21.183 1.00 0.00 C ATOM 162 CD1 PHE A 176 16.467 -15.995 21.463 1.00 0.00 C ATOM 163 CD2 PHE A 176 15.267 -13.921 21.846 1.00 0.00 C ATOM 164 CE1 PHE A 176 17.433 -15.606 22.397 1.00 0.00 C ATOM 165 CE2 PHE A 176 16.235 -13.535 22.780 1.00 0.00 C ATOM 166 CZ PHE A 176 17.318 -14.376 23.055 1.00 0.00 C ATOM 0 H PHE A 176 12.962 -15.339 18.074 1.00 0.00 H new ATOM 0 HA PHE A 176 15.756 -15.146 18.631 1.00 0.00 H new ATOM 0 HB2 PHE A 176 13.549 -14.786 20.104 1.00 0.00 H new ATOM 0 HB3 PHE A 176 13.803 -16.468 20.526 1.00 0.00 H new ATOM 0 HD1 PHE A 176 16.559 -16.944 20.956 1.00 0.00 H new ATOM 0 HD2 PHE A 176 14.433 -13.268 21.635 1.00 0.00 H new ATOM 0 HE1 PHE A 176 18.269 -16.256 22.611 1.00 0.00 H new ATOM 0 HE2 PHE A 176 16.146 -12.587 23.289 1.00 0.00 H new ATOM 0 HZ PHE A 176 18.065 -14.076 23.775 1.00 0.00 H new ATOM 176 N VAL A 177 14.462 -18.199 18.574 1.00 0.00 N ATOM 177 CA VAL A 177 14.812 -19.653 18.496 1.00 0.00 C ATOM 178 C VAL A 177 15.617 -19.927 17.222 1.00 0.00 C ATOM 179 O VAL A 177 16.551 -20.729 17.245 1.00 0.00 O ATOM 180 CB VAL A 177 13.528 -20.514 18.542 1.00 0.00 C ATOM 181 CG1 VAL A 177 13.871 -22.008 18.411 1.00 0.00 C ATOM 182 CG2 VAL A 177 12.809 -20.284 19.879 1.00 0.00 C ATOM 0 H VAL A 177 13.463 -18.001 18.522 1.00 0.00 H new ATOM 0 HA VAL A 177 15.428 -19.922 19.354 1.00 0.00 H new ATOM 0 HB VAL A 177 12.885 -20.223 17.711 1.00 0.00 H new ATOM 0 HG11 VAL A 177 12.954 -22.596 18.446 1.00 0.00 H new ATOM 0 HG12 VAL A 177 14.379 -22.183 17.462 1.00 0.00 H new ATOM 0 HG13 VAL A 177 14.524 -22.305 19.232 1.00 0.00 H new ATOM 0 HG21 VAL A 177 11.903 -20.890 19.914 1.00 0.00 H new ATOM 0 HG22 VAL A 177 13.468 -20.568 20.700 1.00 0.00 H new ATOM 0 HG23 VAL A 177 12.545 -19.231 19.974 1.00 0.00 H new ATOM 192 N ALA A 178 15.266 -19.307 16.117 1.00 0.00 N ATOM 193 CA ALA A 178 16.003 -19.554 14.837 1.00 0.00 C ATOM 194 C ALA A 178 17.473 -19.183 15.007 1.00 0.00 C ATOM 195 O ALA A 178 18.354 -19.886 14.503 1.00 0.00 O ATOM 196 CB ALA A 178 15.383 -18.724 13.712 1.00 0.00 C ATOM 0 H ALA A 178 14.498 -18.639 16.049 1.00 0.00 H new ATOM 0 HA ALA A 178 15.930 -20.611 14.581 1.00 0.00 H new ATOM 0 HB1 ALA A 178 15.924 -18.908 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 178 14.338 -19.006 13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 178 15.445 -17.665 13.964 1.00 0.00 H new ATOM 202 N GLY A 179 17.757 -18.100 15.698 1.00 0.00 N ATOM 203 CA GLY A 179 19.177 -17.668 15.902 1.00 0.00 C ATOM 204 C GLY A 179 19.899 -18.628 16.853 1.00 0.00 C ATOM 205 O GLY A 179 21.054 -18.994 16.607 1.00 0.00 O ATOM 0 H GLY A 179 17.060 -17.495 16.131 1.00 0.00 H new ATOM 0 HA2 GLY A 179 19.695 -17.638 14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 179 19.201 -16.657 16.309 1.00 0.00 H new ATOM 209 N VAL A 180 19.254 -19.034 17.930 1.00 0.00 N ATOM 210 CA VAL A 180 19.905 -19.968 18.911 1.00 0.00 C ATOM 211 C VAL A 180 20.091 -21.333 18.249 1.00 0.00 C ATOM 212 O VAL A 180 21.147 -21.960 18.376 1.00 0.00 O ATOM 213 CB VAL A 180 19.032 -20.108 20.177 1.00 0.00 C ATOM 214 CG1 VAL A 180 19.722 -21.015 21.205 1.00 0.00 C ATOM 215 CG2 VAL A 180 18.808 -18.730 20.811 1.00 0.00 C ATOM 0 H VAL A 180 18.302 -18.757 18.170 1.00 0.00 H new ATOM 0 HA VAL A 180 20.875 -19.567 19.205 1.00 0.00 H new ATOM 0 HB VAL A 180 18.077 -20.546 19.887 1.00 0.00 H new ATOM 0 HG11 VAL A 180 19.094 -21.104 22.092 1.00 0.00 H new ATOM 0 HG12 VAL A 180 19.879 -22.003 20.771 1.00 0.00 H new ATOM 0 HG13 VAL A 180 20.684 -20.584 21.483 1.00 0.00 H new ATOM 0 HG21 VAL A 180 18.191 -18.836 21.704 1.00 0.00 H new ATOM 0 HG22 VAL A 180 19.769 -18.294 21.084 1.00 0.00 H new ATOM 0 HG23 VAL A 180 18.304 -18.079 20.097 1.00 0.00 H new ATOM 225 N LEU A 181 19.077 -21.799 17.560 1.00 0.00 N ATOM 226 CA LEU A 181 19.142 -23.130 16.884 1.00 0.00 C ATOM 227 C LEU A 181 20.233 -23.118 15.820 1.00 0.00 C ATOM 228 O LEU A 181 21.007 -24.068 15.714 1.00 0.00 O ATOM 229 CB LEU A 181 17.780 -23.439 16.246 1.00 0.00 C ATOM 230 CG LEU A 181 17.676 -24.937 15.877 1.00 0.00 C ATOM 231 CD1 LEU A 181 16.202 -25.364 15.853 1.00 0.00 C ATOM 232 CD2 LEU A 181 18.285 -25.179 14.488 1.00 0.00 C ATOM 0 H LEU A 181 18.194 -21.304 17.437 1.00 0.00 H new ATOM 0 HA LEU A 181 19.380 -23.902 17.616 1.00 0.00 H new ATOM 0 HB2 LEU A 181 16.980 -23.173 16.938 1.00 0.00 H new ATOM 0 HB3 LEU A 181 17.645 -22.829 15.353 1.00 0.00 H new ATOM 0 HG LEU A 181 18.219 -25.519 16.622 1.00 0.00 H new ATOM 0 HD11 LEU A 181 16.133 -26.420 15.593 1.00 0.00 H new ATOM 0 HD12 LEU A 181 15.761 -25.203 16.837 1.00 0.00 H new ATOM 0 HD13 LEU A 181 15.664 -24.772 15.113 1.00 0.00 H new ATOM 0 HD21 LEU A 181 18.208 -26.237 14.236 1.00 0.00 H new ATOM 0 HD22 LEU A 181 17.746 -24.589 13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 181 19.334 -24.883 14.494 1.00 0.00 H new ATOM 244 N THR A 182 20.326 -22.065 15.043 1.00 0.00 N ATOM 245 CA THR A 182 21.379 -22.001 13.981 1.00 0.00 C ATOM 246 C THR A 182 22.761 -22.128 14.624 1.00 0.00 C ATOM 247 O THR A 182 23.626 -22.853 14.116 1.00 0.00 O ATOM 248 CB THR A 182 21.268 -20.674 13.210 1.00 0.00 C ATOM 249 OG1 THR A 182 19.953 -20.541 12.691 1.00 0.00 O ATOM 250 CG2 THR A 182 22.275 -20.636 12.051 1.00 0.00 C ATOM 0 H THR A 182 19.718 -21.248 15.099 1.00 0.00 H new ATOM 0 HA THR A 182 21.236 -22.823 13.279 1.00 0.00 H new ATOM 0 HB THR A 182 21.487 -19.853 13.893 1.00 0.00 H new ATOM 0 HG1 THR A 182 19.433 -19.943 13.267 1.00 0.00 H new ATOM 0 HG21 THR A 182 22.181 -19.690 11.518 1.00 0.00 H new ATOM 0 HG22 THR A 182 23.287 -20.732 12.445 1.00 0.00 H new ATOM 0 HG23 THR A 182 22.073 -21.460 11.366 1.00 0.00 H new ATOM 258 N ALA A 183 22.989 -21.425 15.708 1.00 0.00 N ATOM 259 CA ALA A 183 24.323 -21.470 16.384 1.00 0.00 C ATOM 260 C ALA A 183 24.545 -22.800 17.095 1.00 0.00 C ATOM 261 O ALA A 183 25.671 -23.312 17.110 1.00 0.00 O ATOM 262 CB ALA A 183 24.443 -20.318 17.381 1.00 0.00 C ATOM 0 H ALA A 183 22.302 -20.818 16.156 1.00 0.00 H new ATOM 0 HA ALA A 183 25.091 -21.368 15.617 1.00 0.00 H new ATOM 0 HB1 ALA A 183 25.417 -20.359 17.868 1.00 0.00 H new ATOM 0 HB2 ALA A 183 24.340 -19.369 16.855 1.00 0.00 H new ATOM 0 HB3 ALA A 183 23.658 -20.404 18.132 1.00 0.00 H new ATOM 268 N SER A 184 23.520 -23.362 17.687 1.00 0.00 N ATOM 269 CA SER A 184 23.680 -24.661 18.411 1.00 0.00 C ATOM 270 C SER A 184 24.176 -25.722 17.432 1.00 0.00 C ATOM 271 O SER A 184 25.070 -26.510 17.751 1.00 0.00 O ATOM 272 CB SER A 184 22.340 -25.096 19.005 1.00 0.00 C ATOM 273 OG SER A 184 22.105 -24.379 20.210 1.00 0.00 O ATOM 0 H SER A 184 22.576 -22.975 17.700 1.00 0.00 H new ATOM 0 HA SER A 184 24.402 -24.539 19.219 1.00 0.00 H new ATOM 0 HB2 SER A 184 21.536 -24.908 18.294 1.00 0.00 H new ATOM 0 HB3 SER A 184 22.347 -26.168 19.202 1.00 0.00 H new ATOM 0 HG SER A 184 21.766 -23.485 19.998 1.00 0.00 H new ATOM 279 N LEU A 185 23.593 -25.761 16.260 1.00 0.00 N ATOM 280 CA LEU A 185 23.971 -26.773 15.224 1.00 0.00 C ATOM 281 C LEU A 185 25.414 -26.595 14.741 1.00 0.00 C ATOM 282 O LEU A 185 26.131 -27.589 14.590 1.00 0.00 O ATOM 283 CB LEU A 185 22.999 -26.660 14.029 1.00 0.00 C ATOM 284 CG LEU A 185 21.725 -27.521 14.221 1.00 0.00 C ATOM 285 CD1 LEU A 185 22.070 -29.000 14.043 1.00 0.00 C ATOM 286 CD2 LEU A 185 21.092 -27.310 15.612 1.00 0.00 C ATOM 0 H LEU A 185 22.854 -25.120 15.971 1.00 0.00 H new ATOM 0 HA LEU A 185 23.902 -27.762 15.677 1.00 0.00 H new ATOM 0 HB2 LEU A 185 22.713 -25.617 13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 185 23.510 -26.970 13.118 1.00 0.00 H new ATOM 0 HG LEU A 185 21.000 -27.209 13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 185 21.172 -29.602 14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 185 22.468 -29.163 13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 185 22.817 -29.291 14.782 1.00 0.00 H new ATOM 0 HD21 LEU A 185 20.202 -27.932 15.705 1.00 0.00 H new ATOM 0 HD22 LEU A 185 21.810 -27.586 16.384 1.00 0.00 H new ATOM 0 HD23 LEU A 185 20.816 -26.262 15.731 1.00 0.00 H new ATOM 298 N THR A 186 25.847 -25.379 14.464 1.00 0.00 N ATOM 299 CA THR A 186 27.243 -25.183 13.947 1.00 0.00 C ATOM 300 C THR A 186 28.262 -25.562 15.012 1.00 0.00 C ATOM 301 O THR A 186 29.218 -26.293 14.731 1.00 0.00 O ATOM 302 CB THR A 186 27.454 -23.721 13.546 1.00 0.00 C ATOM 303 OG1 THR A 186 26.939 -22.874 14.563 1.00 0.00 O ATOM 304 CG2 THR A 186 26.730 -23.437 12.231 1.00 0.00 C ATOM 0 H THR A 186 25.299 -24.526 14.573 1.00 0.00 H new ATOM 0 HA THR A 186 27.379 -25.824 13.076 1.00 0.00 H new ATOM 0 HB THR A 186 28.520 -23.532 13.418 1.00 0.00 H new ATOM 0 HG1 THR A 186 27.075 -21.937 14.308 1.00 0.00 H new ATOM 0 HG21 THR A 186 26.883 -22.395 11.949 1.00 0.00 H new ATOM 0 HG22 THR A 186 27.126 -24.086 11.450 1.00 0.00 H new ATOM 0 HG23 THR A 186 25.664 -23.627 12.354 1.00 0.00 H new ATOM 312 N ILE A 187 28.080 -25.084 16.218 1.00 0.00 N ATOM 313 CA ILE A 187 29.039 -25.408 17.320 1.00 0.00 C ATOM 314 C ILE A 187 28.935 -26.895 17.664 1.00 0.00 C ATOM 315 O ILE A 187 29.947 -27.595 17.748 1.00 0.00 O ATOM 316 CB ILE A 187 28.745 -24.550 18.568 1.00 0.00 C ATOM 317 CG1 ILE A 187 28.799 -23.052 18.199 1.00 0.00 C ATOM 318 CG2 ILE A 187 29.787 -24.837 19.665 1.00 0.00 C ATOM 319 CD1 ILE A 187 28.151 -22.193 19.303 1.00 0.00 C ATOM 0 H ILE A 187 27.304 -24.480 16.488 1.00 0.00 H new ATOM 0 HA ILE A 187 30.052 -25.184 16.985 1.00 0.00 H new ATOM 0 HB ILE A 187 27.751 -24.801 18.938 1.00 0.00 H new ATOM 0 HG12 ILE A 187 29.835 -22.746 18.054 1.00 0.00 H new ATOM 0 HG13 ILE A 187 28.283 -22.887 17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 187 29.570 -24.226 20.541 1.00 0.00 H new ATOM 0 HG22 ILE A 187 29.746 -25.891 19.938 1.00 0.00 H new ATOM 0 HG23 ILE A 187 30.783 -24.597 19.293 1.00 0.00 H new ATOM 0 HD11 ILE A 187 28.200 -21.141 19.022 1.00 0.00 H new ATOM 0 HD12 ILE A 187 27.109 -22.487 19.428 1.00 0.00 H new ATOM 0 HD13 ILE A 187 28.685 -22.343 20.241 1.00 0.00 H new ATOM 331 N TRP A 188 27.732 -27.369 17.891 1.00 0.00 N ATOM 332 CA TRP A 188 27.516 -28.800 18.271 1.00 0.00 C ATOM 333 C TRP A 188 28.030 -29.733 17.173 1.00 0.00 C ATOM 334 O TRP A 188 28.658 -30.755 17.472 1.00 0.00 O ATOM 335 CB TRP A 188 26.022 -29.052 18.508 1.00 0.00 C ATOM 336 CG TRP A 188 25.823 -30.393 19.145 1.00 0.00 C ATOM 337 CD1 TRP A 188 25.467 -31.518 18.484 1.00 0.00 C ATOM 338 CD2 TRP A 188 25.958 -30.767 20.546 1.00 0.00 C ATOM 339 NE1 TRP A 188 25.375 -32.559 19.390 1.00 0.00 N ATOM 340 CE2 TRP A 188 25.668 -32.145 20.675 1.00 0.00 C ATOM 341 CE3 TRP A 188 26.301 -30.050 21.708 1.00 0.00 C ATOM 342 CZ2 TRP A 188 25.717 -32.792 21.911 1.00 0.00 C ATOM 343 CZ3 TRP A 188 26.350 -30.698 22.954 1.00 0.00 C ATOM 344 CH2 TRP A 188 26.059 -32.065 23.054 1.00 0.00 C ATOM 0 H TRP A 188 26.878 -26.815 17.828 1.00 0.00 H new ATOM 0 HA TRP A 188 28.070 -29.004 19.187 1.00 0.00 H new ATOM 0 HB2 TRP A 188 25.610 -28.272 19.148 1.00 0.00 H new ATOM 0 HB3 TRP A 188 25.483 -29.006 17.562 1.00 0.00 H new ATOM 0 HD1 TRP A 188 25.284 -31.591 17.422 1.00 0.00 H new ATOM 0 HE1 TRP A 188 25.122 -33.515 19.140 1.00 0.00 H new ATOM 0 HE3 TRP A 188 26.528 -28.996 21.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 188 25.492 -33.846 21.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 188 26.614 -30.139 23.840 1.00 0.00 H new ATOM 0 HH2 TRP A 188 26.099 -32.557 24.015 1.00 0.00 H new ATOM 355 N LYS A 189 27.767 -29.416 15.924 1.00 0.00 N ATOM 356 CA LYS A 189 28.225 -30.296 14.799 1.00 0.00 C ATOM 357 C LYS A 189 29.751 -30.379 14.791 1.00 0.00 C ATOM 358 O LYS A 189 30.315 -31.415 14.423 1.00 0.00 O ATOM 359 CB LYS A 189 27.721 -29.750 13.460 1.00 0.00 C ATOM 360 CG LYS A 189 27.970 -30.780 12.355 1.00 0.00 C ATOM 361 CD LYS A 189 27.342 -30.290 11.049 1.00 0.00 C ATOM 362 CE LYS A 189 27.513 -31.360 9.966 1.00 0.00 C ATOM 363 NZ LYS A 189 26.813 -30.938 8.714 1.00 0.00 N ATOM 0 H LYS A 189 27.253 -28.583 15.636 1.00 0.00 H new ATOM 0 HA LYS A 189 27.816 -31.296 14.945 1.00 0.00 H new ATOM 0 HB2 LYS A 189 26.657 -29.524 13.526 1.00 0.00 H new ATOM 0 HB3 LYS A 189 28.231 -28.817 13.222 1.00 0.00 H new ATOM 0 HG2 LYS A 189 29.041 -30.933 12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 189 27.543 -31.742 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 189 26.284 -30.076 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 189 27.813 -29.359 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 189 28.572 -31.519 9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 189 27.109 -32.310 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 26.934 -31.670 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 25.800 -30.809 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 27.217 -30.042 8.375 1.00 0.00 H new ATOM 377 N LYS A 190 30.425 -29.319 15.181 1.00 0.00 N ATOM 378 CA LYS A 190 31.924 -29.324 15.195 1.00 0.00 C ATOM 379 C LYS A 190 32.450 -30.090 16.418 1.00 0.00 C ATOM 380 O LYS A 190 33.634 -30.439 16.463 1.00 0.00 O ATOM 381 CB LYS A 190 32.455 -27.885 15.214 1.00 0.00 C ATOM 382 CG LYS A 190 32.074 -27.171 13.909 1.00 0.00 C ATOM 383 CD LYS A 190 32.991 -27.633 12.768 1.00 0.00 C ATOM 384 CE LYS A 190 32.421 -27.171 11.423 1.00 0.00 C ATOM 385 NZ LYS A 190 33.049 -27.957 10.325 1.00 0.00 N ATOM 0 H LYS A 190 29.997 -28.447 15.492 1.00 0.00 H new ATOM 0 HA LYS A 190 32.276 -29.824 14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 190 32.042 -27.347 16.067 1.00 0.00 H new ATOM 0 HB3 LYS A 190 33.538 -27.889 15.334 1.00 0.00 H new ATOM 0 HG2 LYS A 190 31.034 -27.383 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 190 32.157 -26.092 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 190 33.993 -27.227 12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 190 33.083 -28.719 12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 190 31.339 -27.305 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 190 32.613 -26.108 11.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 32.664 -27.645 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 34.078 -27.808 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 32.844 -28.968 10.460 1.00 0.00 H new ATOM 399 N MET A 191 31.607 -30.364 17.397 1.00 0.00 N ATOM 400 CA MET A 191 32.062 -31.116 18.612 1.00 0.00 C ATOM 401 C MET A 191 32.377 -32.566 18.243 1.00 0.00 C ATOM 402 O MET A 191 33.189 -33.219 18.906 1.00 0.00 O ATOM 403 CB MET A 191 30.983 -31.083 19.700 1.00 0.00 C ATOM 404 CG MET A 191 30.851 -29.664 20.250 1.00 0.00 C ATOM 405 SD MET A 191 29.723 -29.670 21.667 1.00 0.00 S ATOM 406 CE MET A 191 29.282 -27.916 21.610 1.00 0.00 C ATOM 0 H MET A 191 30.623 -30.097 17.402 1.00 0.00 H new ATOM 0 HA MET A 191 32.963 -30.638 18.996 1.00 0.00 H new ATOM 0 HB2 MET A 191 30.029 -31.415 19.290 1.00 0.00 H new ATOM 0 HB3 MET A 191 31.242 -31.772 20.504 1.00 0.00 H new ATOM 0 HG2 MET A 191 31.828 -29.286 20.551 1.00 0.00 H new ATOM 0 HG3 MET A 191 30.476 -28.995 19.475 1.00 0.00 H new ATOM 0 HE1 MET A 191 29.020 -27.574 22.611 1.00 0.00 H new ATOM 0 HE2 MET A 191 30.130 -27.340 21.240 1.00 0.00 H new ATOM 0 HE3 MET A 191 28.430 -27.776 20.945 1.00 0.00 H new ATOM 416 N GLY A 192 31.750 -33.077 17.210 1.00 0.00 N ATOM 417 CA GLY A 192 31.992 -34.489 16.780 1.00 0.00 C ATOM 418 C GLY A 192 31.809 -34.612 15.269 1.00 0.00 C ATOM 419 O GLY A 192 31.555 -33.600 14.634 1.00 0.00 O ATOM 420 OXT GLY A 192 31.925 -35.718 14.767 1.00 0.00 O ATOM 0 H GLY A 192 31.073 -32.569 16.641 1.00 0.00 H new ATOM 0 HA2 GLY A 192 33.000 -34.795 17.059 1.00 0.00 H new ATOM 0 HA3 GLY A 192 31.302 -35.158 17.294 1.00 0.00 H new TER 424 GLY A 192 ATOM 425 N GLY B 166 20.842 -0.094 3.391 1.00 0.00 N ATOM 426 CA GLY B 166 19.429 0.226 3.742 1.00 0.00 C ATOM 427 C GLY B 166 19.373 0.823 5.144 1.00 0.00 C ATOM 428 O GLY B 166 20.398 1.245 5.688 1.00 0.00 O ATOM 0 HA2 GLY B 166 19.014 0.929 3.020 1.00 0.00 H new ATOM 0 HA3 GLY B 166 18.819 -0.676 3.695 1.00 0.00 H new ATOM 434 N THR B 167 18.198 0.864 5.735 1.00 0.00 N ATOM 435 CA THR B 167 18.047 1.435 7.113 1.00 0.00 C ATOM 436 C THR B 167 17.261 0.441 7.998 1.00 0.00 C ATOM 437 O THR B 167 16.082 0.669 8.298 1.00 0.00 O ATOM 438 CB THR B 167 17.335 2.807 7.066 1.00 0.00 C ATOM 439 OG1 THR B 167 17.026 3.213 8.391 1.00 0.00 O ATOM 440 CG2 THR B 167 16.035 2.733 6.246 1.00 0.00 C ATOM 0 H THR B 167 17.332 0.523 5.317 1.00 0.00 H new ATOM 0 HA THR B 167 19.037 1.591 7.543 1.00 0.00 H new ATOM 0 HB THR B 167 18.001 3.526 6.589 1.00 0.00 H new ATOM 0 HG1 THR B 167 16.576 4.083 8.370 1.00 0.00 H new ATOM 0 HG21 THR B 167 15.558 3.713 6.232 1.00 0.00 H new ATOM 0 HG22 THR B 167 16.265 2.427 5.226 1.00 0.00 H new ATOM 0 HG23 THR B 167 15.360 2.007 6.699 1.00 0.00 H new ATOM 448 N PRO B 168 17.878 -0.661 8.433 1.00 0.00 N ATOM 449 CA PRO B 168 17.192 -1.674 9.298 1.00 0.00 C ATOM 450 C PRO B 168 17.003 -1.170 10.727 1.00 0.00 C ATOM 451 O PRO B 168 17.740 -0.289 11.182 1.00 0.00 O ATOM 452 CB PRO B 168 18.135 -2.878 9.268 1.00 0.00 C ATOM 453 CG PRO B 168 19.489 -2.299 9.041 1.00 0.00 C ATOM 454 CD PRO B 168 19.282 -1.070 8.158 1.00 0.00 C ATOM 0 HA PRO B 168 16.189 -1.905 8.940 1.00 0.00 H new ATOM 0 HB2 PRO B 168 18.095 -3.434 10.204 1.00 0.00 H new ATOM 0 HB3 PRO B 168 17.864 -3.572 8.473 1.00 0.00 H new ATOM 0 HG2 PRO B 168 19.959 -2.025 9.986 1.00 0.00 H new ATOM 0 HG3 PRO B 168 20.145 -3.021 8.556 1.00 0.00 H new ATOM 0 HD2 PRO B 168 19.985 -0.276 8.408 1.00 0.00 H new ATOM 0 HD3 PRO B 168 19.430 -1.306 7.104 1.00 0.00 H new ATOM 462 N THR B 169 16.040 -1.716 11.440 1.00 0.00 N ATOM 463 CA THR B 169 15.794 -1.286 12.851 1.00 0.00 C ATOM 464 C THR B 169 16.858 -1.905 13.750 1.00 0.00 C ATOM 465 O THR B 169 17.632 -2.759 13.303 1.00 0.00 O ATOM 466 CB THR B 169 14.398 -1.730 13.310 1.00 0.00 C ATOM 467 OG1 THR B 169 14.138 -3.040 12.825 1.00 0.00 O ATOM 468 CG2 THR B 169 13.339 -0.764 12.771 1.00 0.00 C ATOM 0 H THR B 169 15.413 -2.445 11.099 1.00 0.00 H new ATOM 0 HA THR B 169 15.846 -0.199 12.912 1.00 0.00 H new ATOM 0 HB THR B 169 14.360 -1.728 14.399 1.00 0.00 H new ATOM 0 HG1 THR B 169 13.248 -3.327 13.118 1.00 0.00 H new ATOM 0 HG21 THR B 169 12.351 -1.086 13.101 1.00 0.00 H new ATOM 0 HG22 THR B 169 13.538 0.240 13.146 1.00 0.00 H new ATOM 0 HG23 THR B 169 13.373 -0.758 11.682 1.00 0.00 H new ATOM 476 N TRP B 170 16.920 -1.487 14.996 1.00 0.00 N ATOM 477 CA TRP B 170 17.948 -2.040 15.936 1.00 0.00 C ATOM 478 C TRP B 170 17.350 -3.185 16.754 1.00 0.00 C ATOM 479 O TRP B 170 18.053 -4.134 17.098 1.00 0.00 O ATOM 480 CB TRP B 170 18.460 -0.946 16.898 1.00 0.00 C ATOM 481 CG TRP B 170 18.971 0.277 16.162 1.00 0.00 C ATOM 482 CD1 TRP B 170 19.581 0.298 14.943 1.00 0.00 C ATOM 483 CD2 TRP B 170 18.936 1.665 16.611 1.00 0.00 C ATOM 484 NE1 TRP B 170 19.901 1.604 14.621 1.00 0.00 N ATOM 485 CE2 TRP B 170 19.527 2.482 15.618 1.00 0.00 C ATOM 486 CE3 TRP B 170 18.446 2.286 17.774 1.00 0.00 C ATOM 487 CZ2 TRP B 170 19.630 3.864 15.775 1.00 0.00 C ATOM 488 CZ3 TRP B 170 18.549 3.678 17.935 1.00 0.00 C ATOM 489 CH2 TRP B 170 19.139 4.465 16.937 1.00 0.00 C ATOM 0 H TRP B 170 16.301 -0.785 15.401 1.00 0.00 H new ATOM 0 HA TRP B 170 18.784 -2.408 15.341 1.00 0.00 H new ATOM 0 HB2 TRP B 170 17.655 -0.652 17.571 1.00 0.00 H new ATOM 0 HB3 TRP B 170 19.259 -1.355 17.517 1.00 0.00 H new ATOM 0 HD1 TRP B 170 19.782 -0.567 14.328 1.00 0.00 H new ATOM 0 HE1 TRP B 170 20.358 1.884 13.753 1.00 0.00 H new ATOM 0 HE3 TRP B 170 17.988 1.689 18.548 1.00 0.00 H new ATOM 0 HZ2 TRP B 170 20.086 4.466 15.003 1.00 0.00 H new ATOM 0 HZ3 TRP B 170 18.171 4.144 18.833 1.00 0.00 H new ATOM 0 HH2 TRP B 170 19.214 5.535 17.066 1.00 0.00 H new ATOM 500 N GLN B 171 16.081 -3.100 17.084 1.00 0.00 N ATOM 501 CA GLN B 171 15.423 -4.166 17.908 1.00 0.00 C ATOM 502 C GLN B 171 15.487 -5.518 17.192 1.00 0.00 C ATOM 503 O GLN B 171 15.713 -6.549 17.833 1.00 0.00 O ATOM 504 CB GLN B 171 13.961 -3.791 18.170 1.00 0.00 C ATOM 505 CG GLN B 171 13.900 -2.513 19.014 1.00 0.00 C ATOM 506 CD GLN B 171 14.422 -2.786 20.423 1.00 0.00 C ATOM 507 OE1 GLN B 171 15.631 -2.759 20.654 1.00 0.00 O ATOM 508 NE2 GLN B 171 13.578 -3.049 21.384 1.00 0.00 N ATOM 0 H GLN B 171 15.468 -2.330 16.815 1.00 0.00 H new ATOM 0 HA GLN B 171 15.954 -4.248 18.856 1.00 0.00 H new ATOM 0 HB2 GLN B 171 13.439 -3.640 17.225 1.00 0.00 H new ATOM 0 HB3 GLN B 171 13.454 -4.605 18.688 1.00 0.00 H new ATOM 0 HG2 GLN B 171 14.494 -1.729 18.544 1.00 0.00 H new ATOM 0 HG3 GLN B 171 12.874 -2.149 19.063 1.00 0.00 H new ATOM 0 HE21 GLN B 171 12.577 -3.071 21.191 1.00 0.00 H new ATOM 0 HE22 GLN B 171 13.920 -3.232 22.327 1.00 0.00 H new ATOM 517 N THR B 172 15.272 -5.535 15.897 1.00 0.00 N ATOM 518 CA THR B 172 15.292 -6.827 15.133 1.00 0.00 C ATOM 519 C THR B 172 16.710 -7.408 15.099 1.00 0.00 C ATOM 520 O THR B 172 16.906 -8.601 15.358 1.00 0.00 O ATOM 521 CB THR B 172 14.764 -6.609 13.705 1.00 0.00 C ATOM 522 OG1 THR B 172 14.815 -7.835 12.991 1.00 0.00 O ATOM 523 CG2 THR B 172 15.606 -5.557 12.968 1.00 0.00 C ATOM 0 H THR B 172 15.083 -4.706 15.333 1.00 0.00 H new ATOM 0 HA THR B 172 14.641 -7.541 15.639 1.00 0.00 H new ATOM 0 HB THR B 172 13.735 -6.254 13.765 1.00 0.00 H new ATOM 0 HG1 THR B 172 14.477 -7.698 12.081 1.00 0.00 H new ATOM 0 HG21 THR B 172 15.215 -5.419 11.960 1.00 0.00 H new ATOM 0 HG22 THR B 172 15.560 -4.611 13.508 1.00 0.00 H new ATOM 0 HG23 THR B 172 16.641 -5.893 12.912 1.00 0.00 H new ATOM 531 N VAL B 173 17.692 -6.602 14.771 1.00 0.00 N ATOM 532 CA VAL B 173 19.102 -7.103 14.704 1.00 0.00 C ATOM 533 C VAL B 173 19.611 -7.446 16.109 1.00 0.00 C ATOM 534 O VAL B 173 20.340 -8.426 16.289 1.00 0.00 O ATOM 535 CB VAL B 173 20.019 -6.055 14.042 1.00 0.00 C ATOM 536 CG1 VAL B 173 19.546 -5.798 12.610 1.00 0.00 C ATOM 537 CG2 VAL B 173 19.977 -4.740 14.828 1.00 0.00 C ATOM 0 H VAL B 173 17.577 -5.614 14.546 1.00 0.00 H new ATOM 0 HA VAL B 173 19.119 -8.007 14.096 1.00 0.00 H new ATOM 0 HB VAL B 173 21.041 -6.435 14.035 1.00 0.00 H new ATOM 0 HG11 VAL B 173 20.193 -5.057 12.140 1.00 0.00 H new ATOM 0 HG12 VAL B 173 19.586 -6.727 12.041 1.00 0.00 H new ATOM 0 HG13 VAL B 173 18.521 -5.426 12.626 1.00 0.00 H new ATOM 0 HG21 VAL B 173 20.629 -4.009 14.350 1.00 0.00 H new ATOM 0 HG22 VAL B 173 18.956 -4.359 14.845 1.00 0.00 H new ATOM 0 HG23 VAL B 173 20.316 -4.915 15.849 1.00 0.00 H new ATOM 547 N THR B 174 19.266 -6.644 17.094 1.00 0.00 N ATOM 548 CA THR B 174 19.748 -6.881 18.495 1.00 0.00 C ATOM 549 C THR B 174 19.215 -8.194 19.065 1.00 0.00 C ATOM 550 O THR B 174 19.965 -8.921 19.718 1.00 0.00 O ATOM 551 CB THR B 174 19.313 -5.728 19.405 1.00 0.00 C ATOM 552 OG1 THR B 174 17.930 -5.470 19.210 1.00 0.00 O ATOM 553 CG2 THR B 174 20.125 -4.473 19.078 1.00 0.00 C ATOM 0 H THR B 174 18.665 -5.827 16.984 1.00 0.00 H new ATOM 0 HA THR B 174 20.836 -6.939 18.457 1.00 0.00 H new ATOM 0 HB THR B 174 19.488 -6.002 20.445 1.00 0.00 H new ATOM 0 HG1 THR B 174 17.822 -4.721 18.587 1.00 0.00 H new ATOM 0 HG21 THR B 174 19.811 -3.657 19.728 1.00 0.00 H new ATOM 0 HG22 THR B 174 21.185 -4.674 19.234 1.00 0.00 H new ATOM 0 HG23 THR B 174 19.959 -4.193 18.038 1.00 0.00 H new ATOM 561 N ILE B 175 17.950 -8.506 18.865 1.00 0.00 N ATOM 562 CA ILE B 175 17.391 -9.775 19.442 1.00 0.00 C ATOM 563 C ILE B 175 18.050 -10.987 18.777 1.00 0.00 C ATOM 564 O ILE B 175 18.395 -11.960 19.456 1.00 0.00 O ATOM 565 CB ILE B 175 15.850 -9.812 19.307 1.00 0.00 C ATOM 566 CG1 ILE B 175 15.291 -10.978 20.139 1.00 0.00 C ATOM 567 CG2 ILE B 175 15.423 -9.977 17.841 1.00 0.00 C ATOM 568 CD1 ILE B 175 13.789 -10.774 20.380 1.00 0.00 C ATOM 0 H ILE B 175 17.288 -7.942 18.332 1.00 0.00 H new ATOM 0 HA ILE B 175 17.619 -9.810 20.507 1.00 0.00 H new ATOM 0 HB ILE B 175 15.452 -8.866 19.674 1.00 0.00 H new ATOM 0 HG12 ILE B 175 15.460 -11.921 19.619 1.00 0.00 H new ATOM 0 HG13 ILE B 175 15.816 -11.041 21.092 1.00 0.00 H new ATOM 0 HG21 ILE B 175 14.335 -10.000 17.779 1.00 0.00 H new ATOM 0 HG22 ILE B 175 15.802 -9.140 17.255 1.00 0.00 H new ATOM 0 HG23 ILE B 175 15.828 -10.909 17.447 1.00 0.00 H new ATOM 0 HD11 ILE B 175 13.399 -11.604 20.970 1.00 0.00 H new ATOM 0 HD12 ILE B 175 13.631 -9.840 20.919 1.00 0.00 H new ATOM 0 HD13 ILE B 175 13.269 -10.734 19.423 1.00 0.00 H new ATOM 580 N PHE B 176 18.224 -10.946 17.472 1.00 0.00 N ATOM 581 CA PHE B 176 18.860 -12.092 16.745 1.00 0.00 C ATOM 582 C PHE B 176 20.329 -12.209 17.159 1.00 0.00 C ATOM 583 O PHE B 176 20.818 -13.308 17.439 1.00 0.00 O ATOM 584 CB PHE B 176 18.758 -11.867 15.225 1.00 0.00 C ATOM 585 CG PHE B 176 18.715 -13.194 14.481 1.00 0.00 C ATOM 586 CD1 PHE B 176 17.571 -13.552 13.755 1.00 0.00 C ATOM 587 CD2 PHE B 176 19.821 -14.061 14.508 1.00 0.00 C ATOM 588 CE1 PHE B 176 17.529 -14.764 13.061 1.00 0.00 C ATOM 589 CE2 PHE B 176 19.774 -15.276 13.815 1.00 0.00 C ATOM 590 CZ PHE B 176 18.630 -15.627 13.091 1.00 0.00 C ATOM 0 H PHE B 176 17.950 -10.162 16.879 1.00 0.00 H new ATOM 0 HA PHE B 176 18.341 -13.015 17.001 1.00 0.00 H new ATOM 0 HB2 PHE B 176 17.862 -11.289 14.998 1.00 0.00 H new ATOM 0 HB3 PHE B 176 19.611 -11.281 14.882 1.00 0.00 H new ATOM 0 HD1 PHE B 176 16.719 -12.889 13.732 1.00 0.00 H new ATOM 0 HD2 PHE B 176 20.707 -13.790 15.063 1.00 0.00 H new ATOM 0 HE1 PHE B 176 16.646 -15.035 12.501 1.00 0.00 H new ATOM 0 HE2 PHE B 176 20.623 -15.944 13.839 1.00 0.00 H new ATOM 0 HZ PHE B 176 18.596 -16.564 12.555 1.00 0.00 H new ATOM 600 N VAL B 177 21.035 -11.098 17.198 1.00 0.00 N ATOM 601 CA VAL B 177 22.485 -11.113 17.583 1.00 0.00 C ATOM 602 C VAL B 177 22.611 -11.526 19.056 1.00 0.00 C ATOM 603 O VAL B 177 23.518 -12.284 19.412 1.00 0.00 O ATOM 604 CB VAL B 177 23.111 -9.719 17.339 1.00 0.00 C ATOM 605 CG1 VAL B 177 24.591 -9.704 17.757 1.00 0.00 C ATOM 606 CG2 VAL B 177 23.011 -9.362 15.846 1.00 0.00 C ATOM 0 H VAL B 177 20.663 -10.174 16.977 1.00 0.00 H new ATOM 0 HA VAL B 177 23.025 -11.835 16.970 1.00 0.00 H new ATOM 0 HB VAL B 177 22.566 -8.990 17.938 1.00 0.00 H new ATOM 0 HG11 VAL B 177 25.010 -8.714 17.576 1.00 0.00 H new ATOM 0 HG12 VAL B 177 24.672 -9.945 18.817 1.00 0.00 H new ATOM 0 HG13 VAL B 177 25.141 -10.443 17.174 1.00 0.00 H new ATOM 0 HG21 VAL B 177 23.452 -8.380 15.676 1.00 0.00 H new ATOM 0 HG22 VAL B 177 23.546 -10.107 15.257 1.00 0.00 H new ATOM 0 HG23 VAL B 177 21.963 -9.346 15.545 1.00 0.00 H new ATOM 616 N ALA B 178 21.732 -11.044 19.911 1.00 0.00 N ATOM 617 CA ALA B 178 21.799 -11.405 21.364 1.00 0.00 C ATOM 618 C ALA B 178 21.549 -12.900 21.531 1.00 0.00 C ATOM 619 O ALA B 178 22.135 -13.530 22.413 1.00 0.00 O ATOM 620 CB ALA B 178 20.759 -10.618 22.164 1.00 0.00 C ATOM 0 H ALA B 178 20.970 -10.414 19.661 1.00 0.00 H new ATOM 0 HA ALA B 178 22.791 -11.154 21.740 1.00 0.00 H new ATOM 0 HB1 ALA B 178 20.824 -10.895 23.216 1.00 0.00 H new ATOM 0 HB2 ALA B 178 20.949 -9.550 22.057 1.00 0.00 H new ATOM 0 HB3 ALA B 178 19.762 -10.848 21.789 1.00 0.00 H new ATOM 626 N GLY B 179 20.695 -13.477 20.710 1.00 0.00 N ATOM 627 CA GLY B 179 20.402 -14.941 20.815 1.00 0.00 C ATOM 628 C GLY B 179 21.670 -15.734 20.511 1.00 0.00 C ATOM 629 O GLY B 179 22.003 -16.682 21.230 1.00 0.00 O ATOM 0 H GLY B 179 20.189 -12.991 19.970 1.00 0.00 H new ATOM 0 HA2 GLY B 179 20.041 -15.180 21.815 1.00 0.00 H new ATOM 0 HA3 GLY B 179 19.611 -15.216 20.117 1.00 0.00 H new ATOM 633 N VAL B 180 22.384 -15.363 19.465 1.00 0.00 N ATOM 634 CA VAL B 180 23.645 -16.083 19.095 1.00 0.00 C ATOM 635 C VAL B 180 24.714 -15.785 20.147 1.00 0.00 C ATOM 636 O VAL B 180 25.455 -16.681 20.567 1.00 0.00 O ATOM 637 CB VAL B 180 24.128 -15.620 17.703 1.00 0.00 C ATOM 638 CG1 VAL B 180 25.396 -16.378 17.292 1.00 0.00 C ATOM 639 CG2 VAL B 180 23.036 -15.886 16.660 1.00 0.00 C ATOM 0 H VAL B 180 22.141 -14.586 18.851 1.00 0.00 H new ATOM 0 HA VAL B 180 23.458 -17.156 19.058 1.00 0.00 H new ATOM 0 HB VAL B 180 24.346 -14.553 17.755 1.00 0.00 H new ATOM 0 HG11 VAL B 180 25.721 -16.038 16.309 1.00 0.00 H new ATOM 0 HG12 VAL B 180 26.185 -16.189 18.020 1.00 0.00 H new ATOM 0 HG13 VAL B 180 25.185 -17.447 17.255 1.00 0.00 H new ATOM 0 HG21 VAL B 180 23.381 -15.558 15.680 1.00 0.00 H new ATOM 0 HG22 VAL B 180 22.815 -16.953 16.628 1.00 0.00 H new ATOM 0 HG23 VAL B 180 22.134 -15.337 16.929 1.00 0.00 H new ATOM 649 N LEU B 181 24.812 -14.544 20.557 1.00 0.00 N ATOM 650 CA LEU B 181 25.834 -14.128 21.564 1.00 0.00 C ATOM 651 C LEU B 181 25.586 -14.855 22.888 1.00 0.00 C ATOM 652 O LEU B 181 26.530 -15.335 23.527 1.00 0.00 O ATOM 653 CB LEU B 181 25.725 -12.605 21.766 1.00 0.00 C ATOM 654 CG LEU B 181 27.107 -11.979 22.041 1.00 0.00 C ATOM 655 CD1 LEU B 181 27.077 -10.482 21.700 1.00 0.00 C ATOM 656 CD2 LEU B 181 27.460 -12.154 23.521 1.00 0.00 C ATOM 0 H LEU B 181 24.213 -13.787 20.228 1.00 0.00 H new ATOM 0 HA LEU B 181 26.834 -14.385 21.213 1.00 0.00 H new ATOM 0 HB2 LEU B 181 25.286 -12.148 20.879 1.00 0.00 H new ATOM 0 HB3 LEU B 181 25.054 -12.393 22.599 1.00 0.00 H new ATOM 0 HG LEU B 181 27.855 -12.475 21.423 1.00 0.00 H new ATOM 0 HD11 LEU B 181 28.056 -10.044 21.896 1.00 0.00 H new ATOM 0 HD12 LEU B 181 26.827 -10.354 20.647 1.00 0.00 H new ATOM 0 HD13 LEU B 181 26.327 -9.984 22.315 1.00 0.00 H new ATOM 0 HD21 LEU B 181 28.437 -11.712 23.717 1.00 0.00 H new ATOM 0 HD22 LEU B 181 26.708 -11.659 24.135 1.00 0.00 H new ATOM 0 HD23 LEU B 181 27.487 -13.216 23.766 1.00 0.00 H new ATOM 668 N THR B 182 24.342 -14.940 23.307 1.00 0.00 N ATOM 669 CA THR B 182 24.001 -15.622 24.598 1.00 0.00 C ATOM 670 C THR B 182 24.407 -17.088 24.536 1.00 0.00 C ATOM 671 O THR B 182 25.021 -17.617 25.468 1.00 0.00 O ATOM 672 CB THR B 182 22.490 -15.539 24.849 1.00 0.00 C ATOM 673 OG1 THR B 182 21.802 -15.691 23.616 1.00 0.00 O ATOM 674 CG2 THR B 182 22.133 -14.186 25.475 1.00 0.00 C ATOM 0 H THR B 182 23.541 -14.561 22.802 1.00 0.00 H new ATOM 0 HA THR B 182 24.538 -15.125 25.406 1.00 0.00 H new ATOM 0 HB THR B 182 22.195 -16.333 25.535 1.00 0.00 H new ATOM 0 HG1 THR B 182 21.502 -14.814 23.299 1.00 0.00 H new ATOM 0 HG21 THR B 182 21.058 -14.138 25.649 1.00 0.00 H new ATOM 0 HG22 THR B 182 22.659 -14.073 26.423 1.00 0.00 H new ATOM 0 HG23 THR B 182 22.427 -13.383 24.799 1.00 0.00 H new ATOM 682 N ALA B 183 24.059 -17.745 23.463 1.00 0.00 N ATOM 683 CA ALA B 183 24.382 -19.195 23.295 1.00 0.00 C ATOM 684 C ALA B 183 25.895 -19.426 23.297 1.00 0.00 C ATOM 685 O ALA B 183 26.351 -20.507 23.678 1.00 0.00 O ATOM 686 CB ALA B 183 23.791 -19.710 21.981 1.00 0.00 C ATOM 0 H ALA B 183 23.554 -17.331 22.679 1.00 0.00 H new ATOM 0 HA ALA B 183 23.947 -19.738 24.134 1.00 0.00 H new ATOM 0 HB1 ALA B 183 24.030 -20.767 21.864 1.00 0.00 H new ATOM 0 HB2 ALA B 183 22.709 -19.582 21.994 1.00 0.00 H new ATOM 0 HB3 ALA B 183 24.213 -19.149 21.147 1.00 0.00 H new ATOM 692 N SER B 184 26.674 -18.460 22.856 1.00 0.00 N ATOM 693 CA SER B 184 28.159 -18.648 22.798 1.00 0.00 C ATOM 694 C SER B 184 28.740 -18.751 24.208 1.00 0.00 C ATOM 695 O SER B 184 29.512 -19.670 24.500 1.00 0.00 O ATOM 696 CB SER B 184 28.798 -17.467 22.052 1.00 0.00 C ATOM 697 OG SER B 184 29.267 -17.912 20.786 1.00 0.00 O ATOM 0 H SER B 184 26.342 -17.551 22.534 1.00 0.00 H new ATOM 0 HA SER B 184 28.378 -19.574 22.266 1.00 0.00 H new ATOM 0 HB2 SER B 184 28.070 -16.666 21.922 1.00 0.00 H new ATOM 0 HB3 SER B 184 29.623 -17.057 22.635 1.00 0.00 H new ATOM 0 HG SER B 184 29.674 -17.161 20.306 1.00 0.00 H new ATOM 703 N LEU B 185 28.408 -17.817 25.069 1.00 0.00 N ATOM 704 CA LEU B 185 28.961 -17.830 26.469 1.00 0.00 C ATOM 705 C LEU B 185 28.463 -19.057 27.232 1.00 0.00 C ATOM 706 O LEU B 185 29.232 -19.694 27.954 1.00 0.00 O ATOM 707 CB LEU B 185 28.607 -16.552 27.282 1.00 0.00 C ATOM 708 CG LEU B 185 28.417 -15.295 26.373 1.00 0.00 C ATOM 709 CD1 LEU B 185 26.937 -14.936 26.281 1.00 0.00 C ATOM 710 CD2 LEU B 185 29.167 -14.098 26.948 1.00 0.00 C ATOM 0 H LEU B 185 27.776 -17.043 24.865 1.00 0.00 H new ATOM 0 HA LEU B 185 30.045 -17.862 26.361 1.00 0.00 H new ATOM 0 HB2 LEU B 185 27.692 -16.728 27.848 1.00 0.00 H new ATOM 0 HB3 LEU B 185 29.398 -16.356 28.006 1.00 0.00 H new ATOM 0 HG LEU B 185 28.810 -15.533 25.384 1.00 0.00 H new ATOM 0 HD11 LEU B 185 26.814 -14.059 25.646 1.00 0.00 H new ATOM 0 HD12 LEU B 185 26.385 -15.774 25.854 1.00 0.00 H new ATOM 0 HD13 LEU B 185 26.553 -14.719 27.278 1.00 0.00 H new ATOM 0 HD21 LEU B 185 29.022 -13.233 26.301 1.00 0.00 H new ATOM 0 HD22 LEU B 185 28.785 -13.874 27.944 1.00 0.00 H new ATOM 0 HD23 LEU B 185 30.230 -14.331 27.011 1.00 0.00 H new ATOM 722 N THR B 186 27.190 -19.367 27.119 1.00 0.00 N ATOM 723 CA THR B 186 26.603 -20.526 27.875 1.00 0.00 C ATOM 724 C THR B 186 27.288 -21.836 27.494 1.00 0.00 C ATOM 725 O THR B 186 27.648 -22.625 28.374 1.00 0.00 O ATOM 726 CB THR B 186 25.086 -20.641 27.582 1.00 0.00 C ATOM 727 OG1 THR B 186 24.796 -20.050 26.323 1.00 0.00 O ATOM 728 CG2 THR B 186 24.267 -19.936 28.670 1.00 0.00 C ATOM 0 H THR B 186 26.527 -18.863 26.531 1.00 0.00 H new ATOM 0 HA THR B 186 26.761 -20.344 28.938 1.00 0.00 H new ATOM 0 HB THR B 186 24.818 -21.697 27.568 1.00 0.00 H new ATOM 0 HG1 THR B 186 24.708 -19.080 26.429 1.00 0.00 H new ATOM 0 HG21 THR B 186 23.205 -20.029 28.444 1.00 0.00 H new ATOM 0 HG22 THR B 186 24.474 -20.396 29.636 1.00 0.00 H new ATOM 0 HG23 THR B 186 24.539 -18.881 28.704 1.00 0.00 H new ATOM 736 N ILE B 187 27.455 -22.092 26.219 1.00 0.00 N ATOM 737 CA ILE B 187 28.099 -23.371 25.779 1.00 0.00 C ATOM 738 C ILE B 187 29.566 -23.367 26.206 1.00 0.00 C ATOM 739 O ILE B 187 30.066 -24.368 26.732 1.00 0.00 O ATOM 740 CB ILE B 187 27.989 -23.544 24.250 1.00 0.00 C ATOM 741 CG1 ILE B 187 26.511 -23.475 23.819 1.00 0.00 C ATOM 742 CG2 ILE B 187 28.567 -24.906 23.836 1.00 0.00 C ATOM 743 CD1 ILE B 187 26.427 -23.224 22.312 1.00 0.00 C ATOM 0 H ILE B 187 27.173 -21.469 25.462 1.00 0.00 H new ATOM 0 HA ILE B 187 27.583 -24.208 26.249 1.00 0.00 H new ATOM 0 HB ILE B 187 28.550 -22.744 23.766 1.00 0.00 H new ATOM 0 HG12 ILE B 187 26.004 -24.406 24.072 1.00 0.00 H new ATOM 0 HG13 ILE B 187 26.001 -22.678 24.360 1.00 0.00 H new ATOM 0 HG21 ILE B 187 28.486 -25.022 22.755 1.00 0.00 H new ATOM 0 HG22 ILE B 187 29.615 -24.961 24.130 1.00 0.00 H new ATOM 0 HG23 ILE B 187 28.010 -25.703 24.329 1.00 0.00 H new ATOM 0 HD11 ILE B 187 25.381 -23.176 22.009 1.00 0.00 H new ATOM 0 HD12 ILE B 187 26.918 -22.281 22.072 1.00 0.00 H new ATOM 0 HD13 ILE B 187 26.922 -24.036 21.780 1.00 0.00 H new ATOM 755 N TRP B 188 30.259 -22.276 25.976 1.00 0.00 N ATOM 756 CA TRP B 188 31.706 -22.193 26.343 1.00 0.00 C ATOM 757 C TRP B 188 31.875 -22.285 27.863 1.00 0.00 C ATOM 758 O TRP B 188 32.864 -22.850 28.344 1.00 0.00 O ATOM 759 CB TRP B 188 32.304 -20.875 25.830 1.00 0.00 C ATOM 760 CG TRP B 188 33.800 -20.897 25.957 1.00 0.00 C ATOM 761 CD1 TRP B 188 34.627 -21.782 25.347 1.00 0.00 C ATOM 762 CD2 TRP B 188 34.656 -20.001 26.723 1.00 0.00 C ATOM 763 NE1 TRP B 188 35.932 -21.489 25.697 1.00 0.00 N ATOM 764 CE2 TRP B 188 36.002 -20.398 26.541 1.00 0.00 C ATOM 765 CE3 TRP B 188 34.399 -18.893 27.550 1.00 0.00 C ATOM 766 CZ2 TRP B 188 37.055 -19.721 27.159 1.00 0.00 C ATOM 767 CZ3 TRP B 188 35.456 -18.209 28.172 1.00 0.00 C ATOM 768 CH2 TRP B 188 36.781 -18.623 27.977 1.00 0.00 C ATOM 0 H TRP B 188 29.879 -21.433 25.546 1.00 0.00 H new ATOM 0 HA TRP B 188 32.232 -23.028 25.879 1.00 0.00 H new ATOM 0 HB2 TRP B 188 32.023 -20.721 24.788 1.00 0.00 H new ATOM 0 HB3 TRP B 188 31.896 -20.038 26.397 1.00 0.00 H new ATOM 0 HD1 TRP B 188 34.317 -22.585 24.694 1.00 0.00 H new ATOM 0 HE1 TRP B 188 36.744 -22.014 25.372 1.00 0.00 H new ATOM 0 HE3 TRP B 188 33.382 -18.566 27.708 1.00 0.00 H new ATOM 0 HZ2 TRP B 188 38.074 -20.044 27.006 1.00 0.00 H new ATOM 0 HZ3 TRP B 188 35.247 -17.359 28.804 1.00 0.00 H new ATOM 0 HH2 TRP B 188 37.589 -18.093 28.459 1.00 0.00 H new ATOM 779 N LYS B 189 30.948 -21.737 28.618 1.00 0.00 N ATOM 780 CA LYS B 189 31.055 -21.775 30.115 1.00 0.00 C ATOM 781 C LYS B 189 31.002 -23.219 30.608 1.00 0.00 C ATOM 782 O LYS B 189 31.669 -23.568 31.588 1.00 0.00 O ATOM 783 CB LYS B 189 29.912 -20.971 30.752 1.00 0.00 C ATOM 784 CG LYS B 189 30.316 -20.492 32.157 1.00 0.00 C ATOM 785 CD LYS B 189 31.239 -19.270 32.040 1.00 0.00 C ATOM 786 CE LYS B 189 31.311 -18.545 33.386 1.00 0.00 C ATOM 787 NZ LYS B 189 30.035 -17.812 33.621 1.00 0.00 N ATOM 0 H LYS B 189 30.119 -21.263 28.260 1.00 0.00 H new ATOM 0 HA LYS B 189 32.007 -21.331 30.405 1.00 0.00 H new ATOM 0 HB2 LYS B 189 29.667 -20.114 30.124 1.00 0.00 H new ATOM 0 HB3 LYS B 189 29.015 -21.587 30.814 1.00 0.00 H new ATOM 0 HG2 LYS B 189 29.428 -20.235 32.734 1.00 0.00 H new ATOM 0 HG3 LYS B 189 30.824 -21.294 32.693 1.00 0.00 H new ATOM 0 HD2 LYS B 189 32.236 -19.584 31.732 1.00 0.00 H new ATOM 0 HD3 LYS B 189 30.866 -18.593 31.271 1.00 0.00 H new ATOM 0 HE2 LYS B 189 31.485 -19.261 34.189 1.00 0.00 H new ATOM 0 HE3 LYS B 189 32.150 -17.849 33.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 189 30.196 -17.046 34.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 189 29.696 -17.409 32.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 189 29.322 -18.469 33.997 1.00 0.00 H new ATOM 801 N LYS B 190 30.225 -24.058 29.959 1.00 0.00 N ATOM 802 CA LYS B 190 30.117 -25.493 30.391 1.00 0.00 C ATOM 803 C LYS B 190 31.150 -26.367 29.665 1.00 0.00 C ATOM 804 O LYS B 190 31.200 -27.581 29.895 1.00 0.00 O ATOM 805 CB LYS B 190 28.704 -26.023 30.115 1.00 0.00 C ATOM 806 CG LYS B 190 27.657 -25.219 30.933 1.00 0.00 C ATOM 807 CD LYS B 190 26.645 -26.164 31.623 1.00 0.00 C ATOM 808 CE LYS B 190 25.398 -26.374 30.748 1.00 0.00 C ATOM 809 NZ LYS B 190 24.234 -26.687 31.625 1.00 0.00 N ATOM 0 H LYS B 190 29.660 -23.811 29.147 1.00 0.00 H new ATOM 0 HA LYS B 190 30.318 -25.539 31.461 1.00 0.00 H new ATOM 0 HB2 LYS B 190 28.481 -25.946 29.051 1.00 0.00 H new ATOM 0 HB3 LYS B 190 28.647 -27.079 30.377 1.00 0.00 H new ATOM 0 HG2 LYS B 190 28.165 -24.614 31.684 1.00 0.00 H new ATOM 0 HG3 LYS B 190 27.127 -24.531 30.274 1.00 0.00 H new ATOM 0 HD2 LYS B 190 27.119 -27.125 31.823 1.00 0.00 H new ATOM 0 HD3 LYS B 190 26.351 -25.747 32.586 1.00 0.00 H new ATOM 0 HE2 LYS B 190 25.196 -25.479 30.160 1.00 0.00 H new ATOM 0 HE3 LYS B 190 25.566 -27.187 30.042 1.00 0.00 H new ATOM 0 HZ1 LYS B 190 23.387 -26.830 31.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 190 24.431 -27.552 32.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 190 24.071 -25.897 32.281 1.00 0.00 H new ATOM 823 N MET B 191 31.970 -25.789 28.811 1.00 0.00 N ATOM 824 CA MET B 191 33.006 -26.583 28.075 1.00 0.00 C ATOM 825 C MET B 191 34.324 -26.570 28.860 1.00 0.00 C ATOM 826 O MET B 191 35.403 -26.741 28.281 1.00 0.00 O ATOM 827 CB MET B 191 33.225 -25.983 26.673 1.00 0.00 C ATOM 828 CG MET B 191 32.275 -26.626 25.639 1.00 0.00 C ATOM 829 SD MET B 191 33.196 -27.782 24.592 1.00 0.00 S ATOM 830 CE MET B 191 31.985 -27.887 23.254 1.00 0.00 C ATOM 0 H MET B 191 31.963 -24.793 28.593 1.00 0.00 H new ATOM 0 HA MET B 191 32.662 -27.612 27.972 1.00 0.00 H new ATOM 0 HB2 MET B 191 33.058 -24.906 26.705 1.00 0.00 H new ATOM 0 HB3 MET B 191 34.260 -26.136 26.366 1.00 0.00 H new ATOM 0 HG2 MET B 191 31.467 -27.149 26.150 1.00 0.00 H new ATOM 0 HG3 MET B 191 31.815 -25.852 25.024 1.00 0.00 H new ATOM 0 HE1 MET B 191 32.303 -28.641 22.534 1.00 0.00 H new ATOM 0 HE2 MET B 191 31.013 -28.164 23.663 1.00 0.00 H new ATOM 0 HE3 MET B 191 31.907 -26.920 22.757 1.00 0.00 H new ATOM 840 N GLY B 192 34.255 -26.374 30.160 1.00 0.00 N ATOM 841 CA GLY B 192 35.489 -26.348 31.003 1.00 0.00 C ATOM 842 C GLY B 192 36.069 -24.937 31.019 1.00 0.00 C ATOM 843 O GLY B 192 37.241 -24.797 30.711 1.00 0.00 O ATOM 844 OXT GLY B 192 35.332 -24.019 31.339 1.00 0.00 O ATOM 0 H GLY B 192 33.385 -26.230 30.673 1.00 0.00 H new ATOM 0 HA2 GLY B 192 35.254 -26.667 32.019 1.00 0.00 H new ATOM 0 HA3 GLY B 192 36.225 -27.050 30.610 1.00 0.00 H new TER 848 GLY B 192