USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 322 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 11 NLE HN2 : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 11 NLE H : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 22 ABA HN2 : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 22 ABA H : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 26 NLE HN2 : A 26 NLE N : A 25 LEU C :(H bumps) USER MOD Set 1.1: A 32 ASN : amide:sc= 0.899 K(o=2.1,f=-4.7) USER MOD Set 1.2: A 33 LYS NZ :NH3+ 175:sc= 1.19 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ -177:sc= 0 (180deg=-0.00481) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 77:sc= 1.05 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.706 9.105 -5.989 1.00 0.00 N ATOM 2 CA VAL A 1 17.272 8.354 -4.773 1.00 0.00 C ATOM 3 C VAL A 1 18.140 8.698 -3.559 1.00 0.00 C ATOM 4 O VAL A 1 19.294 9.096 -3.710 1.00 0.00 O ATOM 5 CB VAL A 1 17.225 6.820 -4.978 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.068 6.417 -5.899 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.529 6.215 -5.524 1.00 0.00 C ATOM 0 H1 VAL A 1 17.066 8.887 -6.779 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.680 10.126 -5.794 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.675 8.826 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 1 16.249 8.680 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 1 17.075 6.414 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.062 5.334 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.124 6.737 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.194 6.893 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.410 5.137 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.759 6.659 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.344 6.419 -4.829 1.00 0.00 H new ATOM 19 N VAL A 2 17.592 8.521 -2.349 1.00 0.00 N ATOM 20 CA VAL A 2 18.263 8.761 -1.045 1.00 0.00 C ATOM 21 C VAL A 2 18.092 7.569 -0.079 1.00 0.00 C ATOM 22 O VAL A 2 18.092 7.729 1.141 1.00 0.00 O ATOM 23 CB VAL A 2 17.803 10.097 -0.408 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.200 11.298 -1.275 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.288 10.167 -0.151 1.00 0.00 C ATOM 0 H VAL A 2 16.632 8.194 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 2 19.331 8.850 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 2 18.313 10.137 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.862 12.218 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.284 11.324 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.737 11.207 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.039 11.130 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.753 10.055 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.997 9.366 0.528 1.00 0.00 H new ATOM 35 N PHE A 3 17.877 6.366 -0.630 1.00 0.00 N ATOM 36 CA PHE A 3 17.477 5.135 0.080 1.00 0.00 C ATOM 37 C PHE A 3 16.288 5.324 1.055 1.00 0.00 C ATOM 38 O PHE A 3 16.191 4.668 2.093 1.00 0.00 O ATOM 39 CB PHE A 3 18.722 4.459 0.689 1.00 0.00 C ATOM 40 CG PHE A 3 18.525 3.002 1.086 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.682 2.600 2.428 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.181 2.043 0.111 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.483 1.256 2.793 1.00 0.00 C ATOM 44 CE2 PHE A 3 17.976 0.700 0.478 1.00 0.00 C ATOM 45 CZ PHE A 3 18.125 0.307 1.819 1.00 0.00 C ATOM 0 H PHE A 3 17.982 6.214 -1.633 1.00 0.00 H new ATOM 0 HA PHE A 3 17.060 4.441 -0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.539 4.518 -0.030 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.031 5.023 1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.956 3.326 3.179 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.074 2.340 -0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.605 0.953 3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.704 -0.029 -0.271 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.965 -0.723 2.101 1.00 0.00 H new ATOM 55 N TYR A 4 15.368 6.232 0.699 1.00 0.00 N ATOM 56 CA TYR A 4 14.083 6.500 1.370 1.00 0.00 C ATOM 57 C TYR A 4 14.171 6.827 2.877 1.00 0.00 C ATOM 58 O TYR A 4 13.185 6.675 3.603 1.00 0.00 O ATOM 59 CB TYR A 4 13.100 5.355 1.054 1.00 0.00 C ATOM 60 CG TYR A 4 13.021 5.005 -0.424 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.259 5.806 -1.298 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.747 3.906 -0.931 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.229 5.514 -2.676 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.721 3.615 -2.308 1.00 0.00 C ATOM 65 CZ TYR A 4 12.962 4.421 -3.187 1.00 0.00 C ATOM 66 OH TYR A 4 12.935 4.153 -4.521 1.00 0.00 O ATOM 0 H TYR A 4 15.507 6.835 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 4 13.702 7.434 0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.398 4.468 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.107 5.634 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.698 6.644 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.324 3.286 -0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.643 6.128 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.281 2.776 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 4 13.493 3.369 -4.709 1.00 0.00 H new ATOM 76 N VAL A 5 15.329 7.287 3.369 1.00 0.00 N ATOM 77 CA VAL A 5 15.572 7.535 4.806 1.00 0.00 C ATOM 78 C VAL A 5 14.590 8.532 5.437 1.00 0.00 C ATOM 79 O VAL A 5 14.192 8.347 6.586 1.00 0.00 O ATOM 80 CB VAL A 5 17.030 7.962 5.088 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.010 6.846 4.705 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.449 9.254 4.372 1.00 0.00 C ATOM 0 H VAL A 5 16.134 7.501 2.780 1.00 0.00 H new ATOM 0 HA VAL A 5 15.395 6.573 5.286 1.00 0.00 H new ATOM 0 HB VAL A 5 17.068 8.156 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.030 7.170 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.788 5.951 5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.910 6.622 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.484 9.488 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.355 9.120 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.805 10.073 4.693 1.00 0.00 H new ATOM 92 N ALA A 6 14.144 9.548 4.687 1.00 0.00 N ATOM 93 CA ALA A 6 13.130 10.505 5.137 1.00 0.00 C ATOM 94 C ALA A 6 11.736 9.856 5.255 1.00 0.00 C ATOM 95 O ALA A 6 11.093 9.956 6.300 1.00 0.00 O ATOM 96 CB ALA A 6 13.121 11.697 4.172 1.00 0.00 C ATOM 0 H ALA A 6 14.482 9.729 3.742 1.00 0.00 H new ATOM 0 HA ALA A 6 13.384 10.851 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.371 12.419 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.103 12.170 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.883 11.349 3.167 1.00 0.00 H new ATOM 102 N LEU A 7 11.290 9.128 4.224 1.00 0.00 N ATOM 103 CA LEU A 7 10.010 8.402 4.220 1.00 0.00 C ATOM 104 C LEU A 7 9.943 7.411 5.400 1.00 0.00 C ATOM 105 O LEU A 7 8.964 7.365 6.145 1.00 0.00 O ATOM 106 CB LEU A 7 9.859 7.707 2.848 1.00 0.00 C ATOM 107 CG LEU A 7 8.419 7.390 2.396 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.463 6.810 0.981 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.680 6.382 3.279 1.00 0.00 C ATOM 0 H LEU A 7 11.815 9.024 3.355 1.00 0.00 H new ATOM 0 HA LEU A 7 9.175 9.089 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.323 8.340 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.423 6.774 2.873 1.00 0.00 H new ATOM 0 HG LEU A 7 7.876 8.333 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.450 6.581 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.911 7.537 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.059 5.898 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.676 6.221 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.223 5.437 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.613 6.769 4.296 1.00 0.00 H new ATOM 121 N THR A 8 11.037 6.685 5.626 1.00 0.00 N ATOM 122 CA THR A 8 11.192 5.683 6.696 1.00 0.00 C ATOM 123 C THR A 8 11.296 6.299 8.111 1.00 0.00 C ATOM 124 O THR A 8 11.309 5.558 9.095 1.00 0.00 O ATOM 125 CB THR A 8 12.386 4.744 6.385 1.00 0.00 C ATOM 126 OG1 THR A 8 12.405 4.386 5.015 1.00 0.00 O ATOM 127 CG2 THR A 8 12.329 3.392 7.104 1.00 0.00 C ATOM 0 H THR A 8 11.875 6.777 5.051 1.00 0.00 H new ATOM 0 HA THR A 8 10.276 5.092 6.711 1.00 0.00 H new ATOM 0 HB THR A 8 13.252 5.321 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.749 5.136 4.486 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.201 2.798 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.323 3.553 8.182 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.423 2.862 6.811 1.00 0.00 H new ATOM 135 N ALA A 9 11.319 7.637 8.254 1.00 0.00 N ATOM 136 CA ALA A 9 11.472 8.328 9.544 1.00 0.00 C ATOM 137 C ALA A 9 10.456 9.470 9.768 1.00 0.00 C ATOM 138 O ALA A 9 9.565 9.331 10.608 1.00 0.00 O ATOM 139 CB ALA A 9 12.925 8.814 9.664 1.00 0.00 C ATOM 0 H ALA A 9 11.230 8.276 7.464 1.00 0.00 H new ATOM 0 HA ALA A 9 11.249 7.616 10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.059 9.330 10.615 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.600 7.959 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.148 9.498 8.846 1.00 0.00 H new ATOM 145 N VAL A 10 10.534 10.577 9.018 1.00 0.00 N ATOM 146 CA VAL A 10 9.629 11.741 9.169 1.00 0.00 C ATOM 147 C VAL A 10 8.233 11.523 8.558 1.00 0.00 C ATOM 148 O VAL A 10 7.316 12.295 8.844 1.00 0.00 O ATOM 149 CB VAL A 10 10.255 13.054 8.653 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.477 13.444 9.494 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.671 12.997 7.179 1.00 0.00 C ATOM 0 H VAL A 10 11.230 10.698 8.282 1.00 0.00 H new ATOM 0 HA VAL A 10 9.488 11.840 10.245 1.00 0.00 H new ATOM 0 HB VAL A 10 9.470 13.805 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.901 14.372 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.175 13.584 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.225 12.653 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.103 13.954 6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.410 12.208 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.797 12.789 6.562 1.00 0.00 H new HETATM 161 N NLE A 11 8.048 10.439 7.790 1.00 0.00 N HETATM 162 CA NLE A 11 6.740 9.906 7.362 1.00 0.00 C HETATM 163 C NLE A 11 6.500 8.472 7.883 1.00 0.00 C HETATM 164 O NLE A 11 5.687 7.732 7.330 1.00 0.00 O HETATM 165 CB NLE A 11 6.560 10.009 5.833 1.00 0.00 C HETATM 166 CG NLE A 11 6.739 11.441 5.299 1.00 0.00 C HETATM 167 CD NLE A 11 6.410 11.586 3.804 1.00 0.00 C HETATM 168 CE NLE A 11 4.914 11.459 3.489 1.00 0.00 C HETATM 0 HG3 NLE A 11 6.101 12.115 5.870 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.768 11.757 5.468 1.00 0.00 H new HETATM 0 HE3 NLE A 11 4.557 10.479 3.807 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.363 12.236 4.020 1.00 0.00 H new HETATM 0 HE1 NLE A 11 4.757 11.572 2.416 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.765 12.556 3.455 1.00 0.00 H new HETATM 0 HD2 NLE A 11 6.956 10.826 3.245 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.279 9.353 5.343 1.00 0.00 H new HETATM 0 HB2 NLE A 11 5.567 9.649 5.565 1.00 0.00 H new HETATM 0 HA NLE A 11 5.972 10.532 7.817 1.00 0.00 H new ATOM 180 N VAL A 12 7.204 8.089 8.961 1.00 0.00 N ATOM 181 CA VAL A 12 7.053 6.843 9.748 1.00 0.00 C ATOM 182 C VAL A 12 6.835 5.555 8.929 1.00 0.00 C ATOM 183 O VAL A 12 6.070 4.671 9.317 1.00 0.00 O ATOM 184 CB VAL A 12 6.036 7.018 10.904 1.00 0.00 C ATOM 185 CG1 VAL A 12 6.508 8.099 11.886 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.613 7.373 10.447 1.00 0.00 C ATOM 0 H VAL A 12 7.947 8.679 9.336 1.00 0.00 H new ATOM 0 HA VAL A 12 8.033 6.676 10.194 1.00 0.00 H new ATOM 0 HB VAL A 12 5.991 6.040 11.384 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.779 8.205 12.689 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.472 7.813 12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.609 9.049 11.361 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.966 7.477 11.318 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.632 8.313 9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.230 6.582 9.803 1.00 0.00 H new ATOM 196 N ALA A 13 7.526 5.441 7.787 1.00 0.00 N ATOM 197 CA ALA A 13 7.441 4.326 6.839 1.00 0.00 C ATOM 198 C ALA A 13 6.017 4.045 6.303 1.00 0.00 C ATOM 199 O ALA A 13 5.660 2.892 6.055 1.00 0.00 O ATOM 200 CB ALA A 13 8.146 3.094 7.437 1.00 0.00 C ATOM 0 H ALA A 13 8.189 6.156 7.487 1.00 0.00 H new ATOM 0 HA ALA A 13 7.973 4.617 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.085 2.263 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.193 3.331 7.628 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.660 2.815 8.372 1.00 0.00 H new ATOM 206 N VAL A 14 5.197 5.088 6.101 1.00 0.00 N ATOM 207 CA VAL A 14 3.812 5.010 5.581 1.00 0.00 C ATOM 208 C VAL A 14 3.639 4.105 4.348 1.00 0.00 C ATOM 209 O VAL A 14 2.625 3.415 4.231 1.00 0.00 O ATOM 210 CB VAL A 14 3.241 6.427 5.342 1.00 0.00 C ATOM 211 CG1 VAL A 14 3.990 7.216 4.259 1.00 0.00 C ATOM 212 CG2 VAL A 14 1.750 6.404 4.989 1.00 0.00 C ATOM 0 H VAL A 14 5.485 6.046 6.301 1.00 0.00 H new ATOM 0 HA VAL A 14 3.228 4.519 6.360 1.00 0.00 H new ATOM 0 HB VAL A 14 3.382 6.936 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.535 8.200 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.034 7.331 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.933 6.678 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.398 7.423 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.601 5.823 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.190 5.949 5.806 1.00 0.00 H new ATOM 222 N ALA A 15 4.644 4.029 3.467 1.00 0.00 N ATOM 223 CA ALA A 15 4.655 3.148 2.296 1.00 0.00 C ATOM 224 C ALA A 15 4.481 1.650 2.637 1.00 0.00 C ATOM 225 O ALA A 15 3.833 0.927 1.879 1.00 0.00 O ATOM 226 CB ALA A 15 5.957 3.391 1.523 1.00 0.00 C ATOM 0 H ALA A 15 5.491 4.592 3.552 1.00 0.00 H new ATOM 0 HA ALA A 15 3.789 3.397 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.986 2.744 0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.003 4.433 1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.809 3.169 2.166 1.00 0.00 H new ATOM 232 N LEU A 16 4.999 1.185 3.782 1.00 0.00 N ATOM 233 CA LEU A 16 4.829 -0.194 4.261 1.00 0.00 C ATOM 234 C LEU A 16 3.354 -0.506 4.562 1.00 0.00 C ATOM 235 O LEU A 16 2.833 -1.541 4.149 1.00 0.00 O ATOM 236 CB LEU A 16 5.699 -0.388 5.522 1.00 0.00 C ATOM 237 CG LEU A 16 5.673 -1.813 6.109 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.333 -2.834 5.179 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.405 -1.835 7.450 1.00 0.00 C ATOM 0 H LEU A 16 5.556 1.764 4.410 1.00 0.00 H new ATOM 0 HA LEU A 16 5.147 -0.886 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.729 -0.128 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.366 0.312 6.288 1.00 0.00 H new ATOM 0 HG LEU A 16 4.626 -2.088 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.290 -3.823 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.806 -2.852 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.374 -2.556 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.383 -2.845 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.440 -1.525 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.915 -1.151 8.143 1.00 0.00 H new ATOM 251 N TYR A 17 2.672 0.406 5.256 1.00 0.00 N ATOM 252 CA TYR A 17 1.258 0.274 5.618 1.00 0.00 C ATOM 253 C TYR A 17 0.331 0.459 4.409 1.00 0.00 C ATOM 254 O TYR A 17 -0.662 -0.260 4.287 1.00 0.00 O ATOM 255 CB TYR A 17 0.931 1.273 6.737 1.00 0.00 C ATOM 256 CG TYR A 17 1.796 1.092 7.974 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.472 0.102 8.923 1.00 0.00 C ATOM 258 CD2 TYR A 17 2.948 1.884 8.155 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.297 -0.094 10.048 1.00 0.00 C ATOM 260 CE2 TYR A 17 3.774 1.693 9.279 1.00 0.00 C ATOM 261 CZ TYR A 17 3.450 0.701 10.231 1.00 0.00 C ATOM 262 OH TYR A 17 4.240 0.507 11.323 1.00 0.00 O ATOM 0 H TYR A 17 3.093 1.273 5.589 1.00 0.00 H new ATOM 0 HA TYR A 17 1.084 -0.740 5.978 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.058 2.287 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.117 1.166 7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.590 -0.507 8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.198 2.642 7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.047 -0.855 10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.654 2.304 9.413 1.00 0.00 H new ATOM 0 HH TYR A 17 4.992 1.134 11.298 1.00 0.00 H new ATOM 272 N ALA A 18 0.684 1.353 3.477 1.00 0.00 N ATOM 273 CA ALA A 18 0.004 1.496 2.189 1.00 0.00 C ATOM 274 C ALA A 18 0.097 0.207 1.350 1.00 0.00 C ATOM 275 O ALA A 18 -0.927 -0.320 0.922 1.00 0.00 O ATOM 276 CB ALA A 18 0.590 2.705 1.449 1.00 0.00 C ATOM 0 H ALA A 18 1.460 2.004 3.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.059 1.667 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.090 2.820 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.440 3.605 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.657 2.550 1.287 1.00 0.00 H new ATOM 282 N TYR A 19 1.295 -0.368 1.185 1.00 0.00 N ATOM 283 CA TYR A 19 1.487 -1.687 0.563 1.00 0.00 C ATOM 284 C TYR A 19 0.680 -2.778 1.290 1.00 0.00 C ATOM 285 O TYR A 19 0.002 -3.588 0.657 1.00 0.00 O ATOM 286 CB TYR A 19 2.991 -2.001 0.551 1.00 0.00 C ATOM 287 CG TYR A 19 3.385 -3.270 -0.182 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.447 -4.498 0.507 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.745 -3.207 -1.543 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.881 -5.660 -0.161 1.00 0.00 C ATOM 291 CE2 TYR A 19 4.185 -4.366 -2.212 1.00 0.00 C ATOM 292 CZ TYR A 19 4.261 -5.595 -1.519 1.00 0.00 C ATOM 293 OH TYR A 19 4.720 -6.710 -2.147 1.00 0.00 O ATOM 0 H TYR A 19 2.166 0.072 1.481 1.00 0.00 H new ATOM 0 HA TYR A 19 1.113 -1.668 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.517 -1.161 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.338 -2.074 1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.162 -4.548 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.683 -2.269 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.923 -6.602 0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.464 -4.315 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 19 4.937 -6.495 -3.078 1.00 0.00 H new ATOM 303 N GLY A 20 0.656 -2.730 2.624 1.00 0.00 N ATOM 304 CA GLY A 20 -0.110 -3.612 3.508 1.00 0.00 C ATOM 305 C GLY A 20 -1.640 -3.458 3.492 1.00 0.00 C ATOM 306 O GLY A 20 -2.306 -4.121 4.291 1.00 0.00 O ATOM 0 H GLY A 20 1.198 -2.040 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.129 -4.643 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.236 -3.452 4.529 1.00 0.00 H new ATOM 310 N LEU A 21 -2.209 -2.632 2.601 1.00 0.00 N ATOM 311 CA LEU A 21 -3.660 -2.563 2.357 1.00 0.00 C ATOM 312 C LEU A 21 -4.041 -2.420 0.870 1.00 0.00 C ATOM 313 O LEU A 21 -5.062 -2.961 0.447 1.00 0.00 O ATOM 314 CB LEU A 21 -4.290 -1.481 3.264 1.00 0.00 C ATOM 315 CG LEU A 21 -4.073 -0.010 2.850 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.195 0.506 1.943 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.054 0.891 4.086 1.00 0.00 C ATOM 0 H LEU A 21 -1.671 -1.986 2.023 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.087 -3.527 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.363 -1.664 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.896 -1.612 4.272 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.123 0.020 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.999 1.545 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.237 -0.098 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.148 0.439 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.900 1.926 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.004 0.806 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.244 0.584 4.747 1.00 0.00 H new HETATM 329 N ABA A 22 -3.212 -1.756 0.058 1.00 0.00 N HETATM 330 CA ABA A 22 -3.389 -1.657 -1.397 1.00 0.00 C HETATM 331 C ABA A 22 -2.912 -2.921 -2.139 1.00 0.00 C HETATM 332 O ABA A 22 -3.288 -3.126 -3.294 1.00 0.00 O HETATM 333 CB ABA A 22 -2.649 -0.420 -1.934 1.00 0.00 C HETATM 334 CG ABA A 22 -3.188 0.896 -1.357 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.079 0.889 -0.272 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.242 1.002 -1.615 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.627 1.733 -1.773 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.733 -0.396 -3.020 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.588 -0.507 -1.698 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.458 -1.559 -1.585 1.00 0.00 H new ATOM 342 N PHE A 23 -2.117 -3.780 -1.483 1.00 0.00 N ATOM 343 CA PHE A 23 -1.593 -5.033 -2.048 1.00 0.00 C ATOM 344 C PHE A 23 -1.720 -6.227 -1.088 1.00 0.00 C ATOM 345 O PHE A 23 -2.208 -7.278 -1.506 1.00 0.00 O ATOM 346 CB PHE A 23 -0.127 -4.831 -2.488 1.00 0.00 C ATOM 347 CG PHE A 23 0.094 -5.037 -3.974 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.092 -6.338 -4.512 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.290 -3.930 -4.822 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.293 -6.531 -5.891 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.492 -4.124 -6.201 1.00 0.00 C ATOM 352 CZ PHE A 23 0.495 -5.425 -6.735 1.00 0.00 C ATOM 0 H PHE A 23 -1.814 -3.619 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.205 -5.280 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.189 -3.823 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.508 -5.523 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.064 -7.189 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.285 -2.930 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.292 -7.530 -6.302 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.645 -3.274 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.652 -5.574 -7.793 1.00 0.00 H new ATOM 362 N ARG A 24 -1.336 -6.066 0.191 1.00 0.00 N ATOM 363 CA ARG A 24 -1.336 -7.097 1.259 1.00 0.00 C ATOM 364 C ARG A 24 -0.859 -8.492 0.801 1.00 0.00 C ATOM 365 O ARG A 24 -1.447 -9.518 1.140 1.00 0.00 O ATOM 366 CB ARG A 24 -2.653 -7.058 2.076 1.00 0.00 C ATOM 367 CG ARG A 24 -3.999 -7.017 1.328 1.00 0.00 C ATOM 368 CD ARG A 24 -4.418 -8.337 0.672 1.00 0.00 C ATOM 369 NE ARG A 24 -5.719 -8.185 -0.010 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.932 -7.905 -1.284 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.965 -7.754 -2.145 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.149 -7.762 -1.715 1.00 0.00 N ATOM 0 H ARG A 24 -0.998 -5.166 0.532 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.552 -6.830 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.664 -7.935 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.611 -6.183 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.777 -6.714 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.946 -6.247 0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.659 -8.651 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.486 -9.120 1.427 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.549 -8.311 0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.995 -7.852 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.178 -7.538 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.933 -7.866 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.320 -7.546 -2.697 1.00 0.00 H new ATOM 386 N LEU A 25 0.209 -8.502 -0.005 1.00 0.00 N ATOM 387 CA LEU A 25 0.738 -9.672 -0.724 1.00 0.00 C ATOM 388 C LEU A 25 1.230 -10.810 0.196 1.00 0.00 C ATOM 389 O LEU A 25 1.069 -11.987 -0.134 1.00 0.00 O ATOM 390 CB LEU A 25 1.877 -9.175 -1.640 1.00 0.00 C ATOM 391 CG LEU A 25 2.424 -10.223 -2.629 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.387 -10.619 -3.683 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.644 -9.663 -3.359 1.00 0.00 C ATOM 0 H LEU A 25 0.754 -7.658 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.076 -10.116 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.518 -8.316 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.698 -8.824 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 25 2.686 -11.104 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.818 -11.359 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.511 -11.043 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.092 -9.738 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.025 -10.409 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.359 -8.765 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.419 -9.414 -2.634 1.00 0.00 H new HETATM 405 N NLE A 26 1.828 -10.458 1.339 1.00 0.00 N HETATM 406 CA NLE A 26 2.406 -11.368 2.341 1.00 0.00 C HETATM 407 C NLE A 26 2.392 -10.730 3.743 1.00 0.00 C HETATM 408 O NLE A 26 2.240 -9.512 3.865 1.00 0.00 O HETATM 409 CB NLE A 26 3.828 -11.782 1.907 1.00 0.00 C HETATM 410 CG NLE A 26 4.833 -10.615 1.833 1.00 0.00 C HETATM 411 CD NLE A 26 6.216 -11.040 1.312 1.00 0.00 C HETATM 412 CE NLE A 26 6.225 -11.375 -0.186 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.430 -9.838 1.184 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.944 -10.176 2.825 1.00 0.00 H new HETATM 0 HE3 NLE A 26 5.535 -12.197 -0.379 1.00 0.00 H new HETATM 0 HE2 NLE A 26 5.915 -10.499 -0.756 1.00 0.00 H new HETATM 0 HE1 NLE A 26 7.231 -11.667 -0.488 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.930 -10.239 1.502 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.556 -11.910 1.874 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.206 -12.528 2.606 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.772 -12.261 0.929 1.00 0.00 H new HETATM 0 HA NLE A 26 1.794 -12.268 2.402 1.00 0.00 H new HETATM 0 H NLE A 26 1.485 -9.540 1.622 1.00 0.00 H new ATOM 424 N GLY A 27 2.530 -11.544 4.797 1.00 0.00 N ATOM 425 CA GLY A 27 2.164 -11.131 6.162 1.00 0.00 C ATOM 426 C GLY A 27 2.932 -11.740 7.339 1.00 0.00 C ATOM 427 O GLY A 27 2.588 -11.453 8.486 1.00 0.00 O ATOM 0 H GLY A 27 2.893 -12.495 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.271 -10.048 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.107 -11.355 6.304 1.00 0.00 H new ATOM 431 N ALA A 28 3.968 -12.550 7.103 1.00 0.00 N ATOM 432 CA ALA A 28 4.783 -13.131 8.181 1.00 0.00 C ATOM 433 C ALA A 28 5.595 -12.086 8.987 1.00 0.00 C ATOM 434 O ALA A 28 5.975 -12.354 10.133 1.00 0.00 O ATOM 435 CB ALA A 28 5.697 -14.202 7.574 1.00 0.00 C ATOM 0 H ALA A 28 4.266 -12.822 6.166 1.00 0.00 H new ATOM 0 HA ALA A 28 4.105 -13.575 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.310 -14.645 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.089 -14.977 7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.343 -13.746 6.823 1.00 0.00 H new ATOM 441 N SER A 29 5.837 -10.899 8.409 1.00 0.00 N ATOM 442 CA SER A 29 6.749 -9.865 8.941 1.00 0.00 C ATOM 443 C SER A 29 6.247 -8.416 8.739 1.00 0.00 C ATOM 444 O SER A 29 7.037 -7.474 8.837 1.00 0.00 O ATOM 445 CB SER A 29 8.141 -10.025 8.297 1.00 0.00 C ATOM 446 OG SER A 29 8.668 -11.333 8.483 1.00 0.00 O ATOM 0 H SER A 29 5.393 -10.621 7.534 1.00 0.00 H new ATOM 0 HA SER A 29 6.795 -10.023 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.074 -9.810 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.826 -9.294 8.727 1.00 0.00 H new ATOM 0 HG SER A 29 9.550 -11.394 8.059 1.00 0.00 H new ATOM 452 N GLY A 30 4.958 -8.204 8.436 1.00 0.00 N ATOM 453 CA GLY A 30 4.407 -6.869 8.138 1.00 0.00 C ATOM 454 C GLY A 30 2.874 -6.800 7.992 1.00 0.00 C ATOM 455 O GLY A 30 2.197 -7.832 8.073 1.00 0.00 O ATOM 0 H GLY A 30 4.266 -8.952 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.710 -6.185 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.859 -6.507 7.215 1.00 0.00 H new ATOM 459 N PRO A 31 2.309 -5.591 7.787 1.00 0.00 N ATOM 460 CA PRO A 31 0.859 -5.360 7.719 1.00 0.00 C ATOM 461 C PRO A 31 0.213 -6.073 6.519 1.00 0.00 C ATOM 462 O PRO A 31 0.715 -5.995 5.396 1.00 0.00 O ATOM 463 CB PRO A 31 0.692 -3.834 7.655 1.00 0.00 C ATOM 464 CG PRO A 31 2.017 -3.338 7.076 1.00 0.00 C ATOM 465 CD PRO A 31 3.033 -4.337 7.621 1.00 0.00 C ATOM 0 HA PRO A 31 0.347 -5.777 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.150 -3.551 7.023 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.505 -3.412 8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.003 -3.332 5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.241 -2.321 7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.870 -4.457 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.446 -3.996 8.570 1.00 0.00 H new ATOM 473 N ASN A 32 -0.891 -6.795 6.761 1.00 0.00 N ATOM 474 CA ASN A 32 -1.498 -7.707 5.773 1.00 0.00 C ATOM 475 C ASN A 32 -3.009 -7.997 5.968 1.00 0.00 C ATOM 476 O ASN A 32 -3.541 -8.921 5.348 1.00 0.00 O ATOM 477 CB ASN A 32 -0.671 -9.009 5.764 1.00 0.00 C ATOM 478 CG ASN A 32 -0.833 -9.843 7.024 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.603 -10.790 7.072 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.111 -9.553 8.079 1.00 0.00 N ATOM 0 H ASN A 32 -1.392 -6.765 7.649 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.465 -7.202 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.963 -9.609 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.382 -8.759 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.196 -10.115 8.926 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.536 -8.765 8.053 1.00 0.00 H new ATOM 487 N LYS A 33 -3.705 -7.247 6.836 1.00 0.00 N ATOM 488 CA LYS A 33 -5.095 -7.515 7.280 1.00 0.00 C ATOM 489 C LYS A 33 -6.009 -6.281 7.178 1.00 0.00 C ATOM 490 O LYS A 33 -6.935 -6.100 7.971 1.00 0.00 O ATOM 491 CB LYS A 33 -5.077 -8.157 8.690 1.00 0.00 C ATOM 492 CG LYS A 33 -4.557 -9.606 8.711 1.00 0.00 C ATOM 493 CD LYS A 33 -5.541 -10.603 8.070 1.00 0.00 C ATOM 494 CE LYS A 33 -5.008 -12.042 8.066 1.00 0.00 C ATOM 495 NZ LYS A 33 -3.988 -12.259 7.006 1.00 0.00 N ATOM 0 H LYS A 33 -3.310 -6.410 7.265 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.543 -8.232 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.455 -7.549 9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.087 -8.138 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.604 -9.653 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.366 -9.904 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.487 -10.572 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.749 -10.294 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.573 -12.269 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.837 -12.734 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.595 -13.218 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.430 -12.151 6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.224 -11.561 7.111 1.00 0.00 H new ATOM 509 N LYS A 34 -5.750 -5.441 6.173 1.00 0.00 N ATOM 510 CA LYS A 34 -6.572 -4.289 5.762 1.00 0.00 C ATOM 511 C LYS A 34 -6.706 -4.261 4.236 1.00 0.00 C ATOM 512 O LYS A 34 -5.934 -4.910 3.531 1.00 0.00 O ATOM 513 CB LYS A 34 -5.954 -2.977 6.290 1.00 0.00 C ATOM 514 CG LYS A 34 -5.876 -2.918 7.823 1.00 0.00 C ATOM 515 CD LYS A 34 -5.414 -1.535 8.308 1.00 0.00 C ATOM 516 CE LYS A 34 -5.116 -1.505 9.816 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.321 -1.771 10.648 1.00 0.00 N ATOM 0 H LYS A 34 -4.919 -5.547 5.591 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.569 -4.388 6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.952 -2.863 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.544 -2.134 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.854 -3.146 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.186 -3.681 8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.519 -1.242 7.759 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.184 -0.798 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.351 -2.247 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.705 -0.531 10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.062 -1.739 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.044 -1.049 10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.701 -2.712 10.418 1.00 0.00 H new ATOM 531 N GLU A 35 -7.672 -3.502 3.728 1.00 0.00 N ATOM 532 CA GLU A 35 -7.932 -3.306 2.291 1.00 0.00 C ATOM 533 C GLU A 35 -8.390 -1.859 2.026 1.00 0.00 C ATOM 534 O GLU A 35 -8.856 -1.174 2.941 1.00 0.00 O ATOM 535 CB GLU A 35 -8.994 -4.300 1.778 1.00 0.00 C ATOM 536 CG GLU A 35 -8.563 -5.771 1.894 1.00 0.00 C ATOM 537 CD GLU A 35 -9.525 -6.725 1.162 1.00 0.00 C ATOM 538 OE1 GLU A 35 -9.059 -7.480 0.274 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.739 -6.748 1.483 1.00 0.00 O ATOM 0 H GLU A 35 -8.322 -2.985 4.320 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.004 -3.492 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.917 -4.155 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.216 -4.076 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.560 -5.886 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.511 -6.049 2.947 1.00 0.00 H new ATOM 546 N SER A 36 -8.268 -1.388 0.781 1.00 0.00 N ATOM 547 CA SER A 36 -8.697 -0.046 0.345 1.00 0.00 C ATOM 548 C SER A 36 -10.199 0.211 0.574 1.00 0.00 C ATOM 549 O SER A 36 -11.023 -0.693 0.401 1.00 0.00 O ATOM 550 CB SER A 36 -8.381 0.138 -1.144 1.00 0.00 C ATOM 551 OG SER A 36 -7.006 -0.102 -1.401 1.00 0.00 O ATOM 0 H SER A 36 -7.859 -1.939 0.027 1.00 0.00 H new ATOM 0 HA SER A 36 -8.146 0.672 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.991 -0.544 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.642 1.150 -1.453 1.00 0.00 H new ATOM 0 HG SER A 36 -6.826 0.019 -2.357 1.00 0.00 H new ATOM 557 N ARG A 37 -10.564 1.459 0.912 1.00 0.00 N ATOM 558 CA ARG A 37 -11.941 1.915 1.223 1.00 0.00 C ATOM 559 C ARG A 37 -12.258 3.271 0.569 1.00 0.00 C ATOM 560 O ARG A 37 -11.364 3.947 0.052 1.00 0.00 O ATOM 561 CB ARG A 37 -12.137 2.009 2.758 1.00 0.00 C ATOM 562 CG ARG A 37 -11.855 0.727 3.560 1.00 0.00 C ATOM 563 CD ARG A 37 -12.793 -0.437 3.216 1.00 0.00 C ATOM 564 NE ARG A 37 -12.358 -1.683 3.878 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.699 -2.916 3.546 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.529 -3.171 2.573 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.210 -3.933 4.196 1.00 0.00 N ATOM 0 H ARG A 37 -9.883 2.215 0.981 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.632 1.179 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.490 2.800 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.164 2.316 2.954 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.825 0.417 3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.941 0.949 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.809 -0.193 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.815 -0.584 2.136 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.729 -1.582 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.939 -2.405 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.768 -4.136 2.346 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.559 -3.781 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.478 -4.882 3.934 1.00 0.00 H new ATOM 581 N GLY A 38 -13.527 3.681 0.617 1.00 0.00 N ATOM 582 CA GLY A 38 -14.020 4.962 0.091 1.00 0.00 C ATOM 583 C GLY A 38 -15.498 5.222 0.413 1.00 0.00 C ATOM 584 O GLY A 38 -16.156 4.406 1.066 1.00 0.00 O ATOM 0 H GLY A 38 -14.265 3.115 1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.418 5.772 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.882 4.980 -0.990 1.00 0.00 H new ATOM 588 N ARG A 39 -16.020 6.368 -0.049 1.00 0.00 N ATOM 589 CA ARG A 39 -17.389 6.869 0.227 1.00 0.00 C ATOM 590 C ARG A 39 -18.160 7.299 -1.039 1.00 0.00 C ATOM 591 O ARG A 39 -19.176 7.990 -0.946 1.00 0.00 O ATOM 592 CB ARG A 39 -17.315 8.004 1.276 1.00 0.00 C ATOM 593 CG ARG A 39 -16.847 7.523 2.660 1.00 0.00 C ATOM 594 CD ARG A 39 -16.871 8.677 3.670 1.00 0.00 C ATOM 595 NE ARG A 39 -16.508 8.222 5.027 1.00 0.00 N ATOM 596 CZ ARG A 39 -16.351 8.982 6.096 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.487 10.278 6.055 1.00 0.00 N ATOM 598 NH2 ARG A 39 -16.050 8.449 7.246 1.00 0.00 N ATOM 0 H ARG A 39 -15.487 6.999 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.969 6.039 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.634 8.776 0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -18.298 8.465 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.491 6.715 3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.838 7.117 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.179 9.455 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.865 9.123 3.689 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.364 7.220 5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.723 10.739 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.358 10.831 6.902 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.934 7.439 7.325 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.930 9.042 8.067 1.00 0.00 H new ATOM 612 N GLY A 40 -17.690 6.896 -2.225 1.00 0.00 N ATOM 613 CA GLY A 40 -18.329 7.205 -3.516 1.00 0.00 C ATOM 614 C GLY A 40 -17.578 6.713 -4.763 1.00 0.00 C ATOM 615 O GLY A 40 -18.185 6.511 -5.816 1.00 0.00 O ATOM 0 H GLY A 40 -16.842 6.337 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.328 6.769 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.452 8.285 -3.591 1.00 0.00 H new HETATM 619 N NH2 A 41 -16.272 6.479 -4.683 1.00 0.00 N TER 622 NH2 A 41