USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 110:sc= 0.759 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 17 ASN : amide:sc= -0.567 K(o=-0.57,f=-4.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00692 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.714 F(o=-2.4,f=-0.71) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0818 (180deg=-0.414) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.066) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0343 (180deg=-0.275) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.399 K(o=-0.4,f=-2.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -15:sc= 0.242! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 -10.065 -6.918 -11.561 1.00 44.12 N ATOM 102 CA ASP A 7 -10.879 -8.037 -12.021 1.00 23.24 C ATOM 103 C ASP A 7 -10.564 -8.378 -13.474 1.00 2.22 C ATOM 104 O ASP A 7 -10.213 -7.502 -14.265 1.00 62.22 O ATOM 105 CB ASP A 7 -12.365 -7.710 -11.871 1.00 52.51 C ATOM 106 CG ASP A 7 -12.711 -7.208 -10.483 1.00 4.32 C ATOM 107 OD1 ASP A 7 -13.297 -7.984 -9.700 1.00 24.45 O ATOM 108 OD2 ASP A 7 -12.394 -6.039 -10.179 1.00 54.43 O ATOM 0 HA ASP A 7 -10.642 -8.904 -11.404 1.00 23.24 H new ATOM 0 HB2 ASP A 7 -12.644 -6.956 -12.607 1.00 52.51 H new ATOM 0 HB3 ASP A 7 -12.954 -8.601 -12.089 1.00 52.51 H new ATOM 113 N TYR A 8 -10.691 -9.655 -13.818 1.00 4.44 N ATOM 114 CA TYR A 8 -10.416 -10.112 -15.175 1.00 12.43 C ATOM 115 C TYR A 8 -11.182 -9.277 -16.196 1.00 55.31 C ATOM 116 O TYR A 8 -10.704 -9.040 -17.306 1.00 34.31 O ATOM 117 CB TYR A 8 -10.789 -11.588 -15.323 1.00 42.33 C ATOM 118 CG TYR A 8 -10.021 -12.502 -14.396 1.00 20.31 C ATOM 119 CD1 TYR A 8 -10.657 -13.542 -13.729 1.00 55.04 C ATOM 120 CD2 TYR A 8 -8.658 -12.327 -14.187 1.00 74.21 C ATOM 121 CE1 TYR A 8 -9.960 -14.379 -12.881 1.00 21.43 C ATOM 122 CE2 TYR A 8 -7.953 -13.161 -13.341 1.00 45.23 C ATOM 123 CZ TYR A 8 -8.608 -14.185 -12.690 1.00 63.01 C ATOM 124 OH TYR A 8 -7.909 -15.018 -11.847 1.00 31.05 O ATOM 0 H TYR A 8 -10.983 -10.392 -13.176 1.00 4.44 H new ATOM 0 HA TYR A 8 -9.349 -9.993 -15.363 1.00 12.43 H new ATOM 0 HB2 TYR A 8 -11.856 -11.705 -15.133 1.00 42.33 H new ATOM 0 HB3 TYR A 8 -10.612 -11.897 -16.353 1.00 42.33 H new ATOM 0 HD1 TYR A 8 -11.715 -13.698 -13.877 1.00 55.04 H new ATOM 0 HD2 TYR A 8 -8.142 -11.526 -14.694 1.00 74.21 H new ATOM 0 HE1 TYR A 8 -10.471 -15.182 -12.370 1.00 21.43 H new ATOM 0 HE2 TYR A 8 -6.894 -13.012 -13.190 1.00 45.23 H new ATOM 0 HH TYR A 8 -6.968 -14.746 -11.825 1.00 31.05 H new ATOM 134 N TYR A 9 -12.374 -8.833 -15.813 1.00 11.54 N ATOM 135 CA TYR A 9 -13.209 -8.025 -16.694 1.00 61.22 C ATOM 136 C TYR A 9 -12.425 -6.842 -17.253 1.00 53.44 C ATOM 137 O TYR A 9 -12.475 -6.561 -18.451 1.00 32.14 O ATOM 138 CB TYR A 9 -14.444 -7.525 -15.944 1.00 54.40 C ATOM 139 CG TYR A 9 -15.322 -8.636 -15.413 1.00 42.40 C ATOM 140 CD1 TYR A 9 -15.276 -9.004 -14.074 1.00 61.43 C ATOM 141 CD2 TYR A 9 -16.198 -9.316 -16.250 1.00 44.12 C ATOM 142 CE1 TYR A 9 -16.075 -10.019 -13.585 1.00 72.42 C ATOM 143 CE2 TYR A 9 -17.002 -10.331 -15.770 1.00 22.25 C ATOM 144 CZ TYR A 9 -16.937 -10.680 -14.437 1.00 4.55 C ATOM 145 OH TYR A 9 -17.735 -11.690 -13.953 1.00 35.21 O ATOM 0 H TYR A 9 -12.784 -9.019 -14.898 1.00 11.54 H new ATOM 0 HA TYR A 9 -13.528 -8.652 -17.527 1.00 61.22 H new ATOM 0 HB2 TYR A 9 -14.124 -6.897 -15.112 1.00 54.40 H new ATOM 0 HB3 TYR A 9 -15.033 -6.895 -16.611 1.00 54.40 H new ATOM 0 HD1 TYR A 9 -14.604 -8.488 -13.404 1.00 61.43 H new ATOM 0 HD2 TYR A 9 -16.251 -9.046 -17.294 1.00 44.12 H new ATOM 0 HE1 TYR A 9 -16.026 -10.294 -12.542 1.00 72.42 H new ATOM 0 HE2 TYR A 9 -17.678 -10.849 -16.435 1.00 22.25 H new ATOM 0 HH TYR A 9 -18.669 -11.393 -13.944 1.00 35.21 H new ATOM 155 N GLN A 10 -11.702 -6.152 -16.377 1.00 31.10 N ATOM 156 CA GLN A 10 -10.908 -4.999 -16.782 1.00 44.34 C ATOM 157 C GLN A 10 -9.692 -5.433 -17.595 1.00 74.22 C ATOM 158 O GLN A 10 -9.322 -4.782 -18.572 1.00 53.24 O ATOM 159 CB GLN A 10 -10.457 -4.206 -15.554 1.00 54.21 C ATOM 160 CG GLN A 10 -11.610 -3.678 -14.715 1.00 2.20 C ATOM 161 CD GLN A 10 -12.195 -2.394 -15.269 1.00 4.41 C ATOM 162 OE1 GLN A 10 -11.532 -1.356 -15.294 1.00 21.12 O ATOM 163 NE2 GLN A 10 -13.443 -2.456 -15.718 1.00 21.45 N ATOM 0 H GLN A 10 -11.650 -6.372 -15.382 1.00 31.10 H new ATOM 0 HA GLN A 10 -11.533 -4.362 -17.408 1.00 44.34 H new ATOM 0 HB2 GLN A 10 -9.827 -4.842 -14.932 1.00 54.21 H new ATOM 0 HB3 GLN A 10 -9.841 -3.368 -15.879 1.00 54.21 H new ATOM 0 HG2 GLN A 10 -12.392 -4.435 -14.661 1.00 2.20 H new ATOM 0 HG3 GLN A 10 -11.263 -3.505 -13.696 1.00 2.20 H new ATOM 0 HE21 GLN A 10 -13.956 -3.337 -15.678 1.00 21.45 H new ATOM 0 HE22 GLN A 10 -13.889 -1.623 -16.103 1.00 21.45 H new ATOM 172 N ILE A 11 -9.076 -6.536 -17.185 1.00 32.52 N ATOM 173 CA ILE A 11 -7.903 -7.058 -17.876 1.00 13.33 C ATOM 174 C ILE A 11 -8.228 -7.406 -19.324 1.00 51.44 C ATOM 175 O ILE A 11 -7.379 -7.285 -20.209 1.00 31.43 O ATOM 176 CB ILE A 11 -7.345 -8.309 -17.172 1.00 0.31 C ATOM 177 CG1 ILE A 11 -6.975 -7.983 -15.723 1.00 62.14 C ATOM 178 CG2 ILE A 11 -6.137 -8.845 -17.925 1.00 70.41 C ATOM 179 CD1 ILE A 11 -6.744 -9.210 -14.869 1.00 5.54 C ATOM 0 H ILE A 11 -9.369 -7.086 -16.378 1.00 32.52 H new ATOM 0 HA ILE A 11 -7.148 -6.272 -17.854 1.00 13.33 H new ATOM 0 HB ILE A 11 -8.116 -9.079 -17.166 1.00 0.31 H new ATOM 0 HG12 ILE A 11 -6.074 -7.370 -15.716 1.00 62.14 H new ATOM 0 HG13 ILE A 11 -7.771 -7.385 -15.279 1.00 62.14 H new ATOM 0 HG21 ILE A 11 -5.754 -9.729 -17.416 1.00 70.41 H new ATOM 0 HG22 ILE A 11 -6.430 -9.110 -18.941 1.00 70.41 H new ATOM 0 HG23 ILE A 11 -5.361 -8.081 -17.959 1.00 70.41 H new ATOM 0 HD11 ILE A 11 -6.486 -8.904 -13.855 1.00 5.54 H new ATOM 0 HD12 ILE A 11 -7.651 -9.813 -14.846 1.00 5.54 H new ATOM 0 HD13 ILE A 11 -5.928 -9.798 -15.290 1.00 5.54 H new ATOM 191 N LEU A 12 -9.462 -7.836 -19.561 1.00 55.31 N ATOM 192 CA LEU A 12 -9.902 -8.200 -20.904 1.00 5.31 C ATOM 193 C LEU A 12 -10.614 -7.032 -21.579 1.00 33.22 C ATOM 194 O LEU A 12 -10.804 -7.026 -22.794 1.00 60.43 O ATOM 195 CB LEU A 12 -10.830 -9.414 -20.847 1.00 25.34 C ATOM 196 CG LEU A 12 -10.153 -10.781 -20.957 1.00 74.43 C ATOM 197 CD1 LEU A 12 -11.068 -11.874 -20.424 1.00 44.35 C ATOM 198 CD2 LEU A 12 -9.762 -11.068 -22.400 1.00 0.53 C ATOM 0 H LEU A 12 -10.176 -7.941 -18.841 1.00 55.31 H new ATOM 0 HA LEU A 12 -9.020 -8.453 -21.492 1.00 5.31 H new ATOM 0 HB2 LEU A 12 -11.384 -9.379 -19.909 1.00 25.34 H new ATOM 0 HB3 LEU A 12 -11.560 -9.326 -21.652 1.00 25.34 H new ATOM 0 HG LEU A 12 -9.247 -10.766 -20.352 1.00 74.43 H new ATOM 0 HD11 LEU A 12 -10.570 -12.840 -20.510 1.00 44.35 H new ATOM 0 HD12 LEU A 12 -11.299 -11.677 -19.377 1.00 44.35 H new ATOM 0 HD13 LEU A 12 -11.992 -11.889 -21.002 1.00 44.35 H new ATOM 0 HD21 LEU A 12 -9.282 -12.045 -22.459 1.00 0.53 H new ATOM 0 HD22 LEU A 12 -10.654 -11.064 -23.026 1.00 0.53 H new ATOM 0 HD23 LEU A 12 -9.070 -10.301 -22.749 1.00 0.53 H new ATOM 210 N GLY A 13 -11.006 -6.043 -20.781 1.00 24.00 N ATOM 211 CA GLY A 13 -11.691 -4.883 -21.319 1.00 40.34 C ATOM 212 C GLY A 13 -13.153 -5.157 -21.612 1.00 1.22 C ATOM 213 O GLY A 13 -13.751 -4.517 -22.477 1.00 13.35 O ATOM 0 H GLY A 13 -10.861 -6.025 -19.772 1.00 24.00 H new ATOM 0 HA2 GLY A 13 -11.614 -4.058 -20.610 1.00 40.34 H new ATOM 0 HA3 GLY A 13 -11.194 -4.564 -22.235 1.00 40.34 H new ATOM 217 N VAL A 14 -13.730 -6.113 -20.890 1.00 50.43 N ATOM 218 CA VAL A 14 -15.131 -6.471 -21.077 1.00 41.21 C ATOM 219 C VAL A 14 -15.955 -6.129 -19.841 1.00 11.10 C ATOM 220 O VAL A 14 -15.452 -6.097 -18.718 1.00 5.21 O ATOM 221 CB VAL A 14 -15.290 -7.971 -21.388 1.00 30.02 C ATOM 222 CG1 VAL A 14 -14.489 -8.348 -22.625 1.00 33.11 C ATOM 223 CG2 VAL A 14 -14.866 -8.810 -20.192 1.00 31.20 C ATOM 0 H VAL A 14 -13.249 -6.653 -20.171 1.00 50.43 H new ATOM 0 HA VAL A 14 -15.496 -5.891 -21.925 1.00 41.21 H new ATOM 0 HB VAL A 14 -16.342 -8.173 -21.591 1.00 30.02 H new ATOM 0 HG11 VAL A 14 -14.614 -9.411 -22.829 1.00 33.11 H new ATOM 0 HG12 VAL A 14 -14.844 -7.771 -23.479 1.00 33.11 H new ATOM 0 HG13 VAL A 14 -13.434 -8.132 -22.455 1.00 33.11 H new ATOM 0 HG21 VAL A 14 -14.985 -9.867 -20.429 1.00 31.20 H new ATOM 0 HG22 VAL A 14 -13.822 -8.606 -19.956 1.00 31.20 H new ATOM 0 HG23 VAL A 14 -15.488 -8.559 -19.333 1.00 31.20 H new ATOM 233 N PRO A 15 -17.254 -5.867 -20.050 1.00 20.34 N ATOM 234 CA PRO A 15 -18.177 -5.524 -18.964 1.00 2.14 C ATOM 235 C PRO A 15 -18.462 -6.710 -18.048 1.00 41.24 C ATOM 236 O PRO A 15 -18.010 -7.826 -18.304 1.00 72.14 O ATOM 237 CB PRO A 15 -19.449 -5.099 -19.700 1.00 74.05 C ATOM 238 CG PRO A 15 -19.382 -5.804 -21.011 1.00 22.51 C ATOM 239 CD PRO A 15 -17.922 -5.887 -21.362 1.00 21.12 C ATOM 0 HA PRO A 15 -17.768 -4.753 -18.311 1.00 2.14 H new ATOM 0 HB2 PRO A 15 -20.342 -5.383 -19.143 1.00 74.05 H new ATOM 0 HB3 PRO A 15 -19.487 -4.018 -19.833 1.00 74.05 H new ATOM 0 HG2 PRO A 15 -19.824 -6.798 -20.943 1.00 22.51 H new ATOM 0 HG3 PRO A 15 -19.937 -5.260 -21.775 1.00 22.51 H new ATOM 0 HD2 PRO A 15 -17.693 -6.798 -21.916 1.00 21.12 H new ATOM 0 HD3 PRO A 15 -17.610 -5.048 -21.985 1.00 21.12 H new ATOM 247 N ARG A 16 -19.214 -6.460 -16.981 1.00 61.54 N ATOM 248 CA ARG A 16 -19.558 -7.508 -16.028 1.00 34.11 C ATOM 249 C ARG A 16 -20.694 -8.377 -16.561 1.00 41.22 C ATOM 250 O ARG A 16 -21.028 -9.406 -15.977 1.00 30.34 O ATOM 251 CB ARG A 16 -19.959 -6.894 -14.685 1.00 54.35 C ATOM 252 CG ARG A 16 -18.800 -6.258 -13.936 1.00 21.10 C ATOM 253 CD ARG A 16 -19.285 -5.215 -12.941 1.00 25.42 C ATOM 254 NE ARG A 16 -18.392 -5.100 -11.791 1.00 21.03 N ATOM 255 CZ ARG A 16 -18.391 -5.953 -10.772 1.00 53.13 C ATOM 256 NH1 ARG A 16 -19.231 -6.979 -10.762 1.00 15.42 N ATOM 257 NH2 ARG A 16 -17.549 -5.781 -9.762 1.00 23.02 N ATOM 0 H ARG A 16 -19.596 -5.542 -16.755 1.00 61.54 H new ATOM 0 HA ARG A 16 -18.679 -8.137 -15.885 1.00 34.11 H new ATOM 0 HB2 ARG A 16 -20.728 -6.140 -14.855 1.00 54.35 H new ATOM 0 HB3 ARG A 16 -20.404 -7.668 -14.060 1.00 54.35 H new ATOM 0 HG2 ARG A 16 -18.238 -7.030 -13.411 1.00 21.10 H new ATOM 0 HG3 ARG A 16 -18.117 -5.794 -14.647 1.00 21.10 H new ATOM 0 HD2 ARG A 16 -19.363 -4.248 -13.438 1.00 25.42 H new ATOM 0 HD3 ARG A 16 -20.286 -5.478 -12.598 1.00 25.42 H new ATOM 0 HE ARG A 16 -17.733 -4.322 -11.769 1.00 21.03 H new ATOM 0 HH11 ARG A 16 -19.880 -7.115 -11.537 1.00 15.42 H new ATOM 0 HH12 ARG A 16 -19.229 -7.633 -9.979 1.00 15.42 H new ATOM 0 HH21 ARG A 16 -16.901 -4.993 -9.767 1.00 23.02 H new ATOM 0 HH22 ARG A 16 -17.549 -6.436 -8.980 1.00 23.02 H new ATOM 271 N ASN A 17 -21.283 -7.953 -17.675 1.00 31.42 N ATOM 272 CA ASN A 17 -22.382 -8.692 -18.287 1.00 2.15 C ATOM 273 C ASN A 17 -21.980 -9.229 -19.657 1.00 10.20 C ATOM 274 O ASN A 17 -22.802 -9.792 -20.380 1.00 4.15 O ATOM 275 CB ASN A 17 -23.615 -7.796 -18.419 1.00 1.11 C ATOM 276 CG ASN A 17 -23.299 -6.473 -19.091 1.00 31.44 C ATOM 277 OD1 ASN A 17 -22.401 -6.389 -19.928 1.00 52.24 O ATOM 278 ND2 ASN A 17 -24.038 -5.433 -18.724 1.00 53.33 N ATOM 0 H ASN A 17 -21.018 -7.102 -18.172 1.00 31.42 H new ATOM 0 HA ASN A 17 -22.623 -9.537 -17.642 1.00 2.15 H new ATOM 0 HB2 ASN A 17 -24.381 -8.318 -18.993 1.00 1.11 H new ATOM 0 HB3 ASN A 17 -24.031 -7.608 -17.429 1.00 1.11 H new ATOM 0 HD21 ASN A 17 -23.872 -4.517 -19.140 1.00 53.33 H new ATOM 0 HD22 ASN A 17 -24.772 -5.550 -18.026 1.00 53.33 H new ATOM 285 N ALA A 18 -20.710 -9.050 -20.007 1.00 75.43 N ATOM 286 CA ALA A 18 -20.199 -9.519 -21.289 1.00 43.01 C ATOM 287 C ALA A 18 -20.394 -11.024 -21.441 1.00 52.45 C ATOM 288 O ALA A 18 -20.581 -11.738 -20.456 1.00 44.24 O ATOM 289 CB ALA A 18 -18.728 -9.159 -21.434 1.00 5.44 C ATOM 0 H ALA A 18 -20.017 -8.584 -19.421 1.00 75.43 H new ATOM 0 HA ALA A 18 -20.763 -9.024 -22.080 1.00 43.01 H new ATOM 0 HB1 ALA A 18 -18.359 -9.515 -22.396 1.00 5.44 H new ATOM 0 HB2 ALA A 18 -18.611 -8.077 -21.379 1.00 5.44 H new ATOM 0 HB3 ALA A 18 -18.158 -9.627 -20.631 1.00 5.44 H new ATOM 295 N SER A 19 -20.351 -11.499 -22.682 1.00 50.31 N ATOM 296 CA SER A 19 -20.528 -12.918 -22.964 1.00 30.55 C ATOM 297 C SER A 19 -19.205 -13.561 -23.369 1.00 50.03 C ATOM 298 O SER A 19 -18.199 -12.875 -23.546 1.00 40.25 O ATOM 299 CB SER A 19 -21.564 -13.115 -24.072 1.00 35.14 C ATOM 300 OG SER A 19 -21.481 -12.081 -25.037 1.00 61.42 O ATOM 0 H SER A 19 -20.195 -10.921 -23.508 1.00 50.31 H new ATOM 0 HA SER A 19 -20.884 -13.402 -22.054 1.00 30.55 H new ATOM 0 HB2 SER A 19 -21.407 -14.080 -24.554 1.00 35.14 H new ATOM 0 HB3 SER A 19 -22.564 -13.134 -23.640 1.00 35.14 H new ATOM 0 HG SER A 19 -22.152 -12.231 -25.735 1.00 61.42 H new ATOM 306 N GLN A 20 -19.216 -14.882 -23.514 1.00 61.11 N ATOM 307 CA GLN A 20 -18.017 -15.618 -23.898 1.00 50.11 C ATOM 308 C GLN A 20 -17.580 -15.247 -25.311 1.00 43.52 C ATOM 309 O GLN A 20 -16.402 -15.347 -25.655 1.00 23.31 O ATOM 310 CB GLN A 20 -18.267 -17.124 -23.808 1.00 61.31 C ATOM 311 CG GLN A 20 -18.997 -17.545 -22.543 1.00 71.40 C ATOM 312 CD GLN A 20 -18.360 -16.984 -21.287 1.00 61.22 C ATOM 313 OE1 GLN A 20 -17.247 -17.578 -20.871 1.00 30.43 O flip ATOM 314 NE2 GLN A 20 -18.862 -16.027 -20.697 1.00 53.04 N flip ATOM 0 H GLN A 20 -20.041 -15.464 -23.372 1.00 61.11 H new ATOM 0 HA GLN A 20 -17.218 -15.347 -23.207 1.00 50.11 H new ATOM 0 HB2 GLN A 20 -18.848 -17.440 -24.675 1.00 61.31 H new ATOM 0 HB3 GLN A 20 -17.311 -17.646 -23.857 1.00 61.31 H new ATOM 0 HG2 GLN A 20 -20.034 -17.213 -22.599 1.00 71.40 H new ATOM 0 HG3 GLN A 20 -19.013 -18.633 -22.483 1.00 71.40 H new ATOM 0 HE21 GLN A 20 -19.718 -15.601 -21.052 1.00 53.04 H new ATOM 0 HE22 GLN A 20 -18.422 -15.660 -19.853 1.00 53.04 H new ATOM 323 N LYS A 21 -18.536 -14.817 -26.127 1.00 50.14 N ATOM 324 CA LYS A 21 -18.251 -14.429 -27.504 1.00 22.22 C ATOM 325 C LYS A 21 -17.598 -13.052 -27.557 1.00 0.42 C ATOM 326 O LYS A 21 -16.668 -12.826 -28.330 1.00 4.32 O ATOM 327 CB LYS A 21 -19.538 -14.428 -28.332 1.00 44.30 C ATOM 328 CG LYS A 21 -20.287 -15.748 -28.294 1.00 63.55 C ATOM 329 CD LYS A 21 -19.475 -16.868 -28.924 1.00 61.01 C ATOM 330 CE LYS A 21 -19.287 -16.648 -30.417 1.00 61.34 C ATOM 331 NZ LYS A 21 -20.589 -16.588 -31.137 1.00 60.14 N ATOM 0 H LYS A 21 -19.516 -14.728 -25.859 1.00 50.14 H new ATOM 0 HA LYS A 21 -17.557 -15.157 -27.924 1.00 22.22 H new ATOM 0 HB2 LYS A 21 -20.194 -13.637 -27.968 1.00 44.30 H new ATOM 0 HB3 LYS A 21 -19.294 -14.188 -29.367 1.00 44.30 H new ATOM 0 HG2 LYS A 21 -20.522 -16.004 -27.261 1.00 63.55 H new ATOM 0 HG3 LYS A 21 -21.236 -15.644 -28.821 1.00 63.55 H new ATOM 0 HD2 LYS A 21 -18.501 -16.930 -28.439 1.00 61.01 H new ATOM 0 HD3 LYS A 21 -19.976 -17.821 -28.756 1.00 61.01 H new ATOM 0 HE2 LYS A 21 -18.738 -15.721 -30.581 1.00 61.34 H new ATOM 0 HE3 LYS A 21 -18.681 -17.455 -30.829 1.00 61.34 H new ATOM 0 HZ1 LYS A 21 -20.428 -16.710 -32.157 1.00 60.14 H new ATOM 0 HZ2 LYS A 21 -21.212 -17.346 -30.792 1.00 60.14 H new ATOM 0 HZ3 LYS A 21 -21.038 -15.666 -30.965 1.00 60.14 H new ATOM 345 N GLU A 22 -18.091 -12.136 -26.729 1.00 52.42 N ATOM 346 CA GLU A 22 -17.554 -10.781 -26.683 1.00 11.32 C ATOM 347 C GLU A 22 -16.125 -10.780 -26.147 1.00 14.12 C ATOM 348 O GLU A 22 -15.302 -9.957 -26.547 1.00 43.21 O ATOM 349 CB GLU A 22 -18.438 -9.887 -25.810 1.00 74.43 C ATOM 350 CG GLU A 22 -17.853 -8.507 -25.563 1.00 32.10 C ATOM 351 CD GLU A 22 -17.647 -7.723 -26.844 1.00 40.23 C ATOM 352 OE1 GLU A 22 -18.648 -7.226 -27.403 1.00 22.42 O ATOM 353 OE2 GLU A 22 -16.486 -7.605 -27.288 1.00 60.45 O ATOM 0 H GLU A 22 -18.860 -12.307 -26.082 1.00 52.42 H new ATOM 0 HA GLU A 22 -17.543 -10.388 -27.699 1.00 11.32 H new ATOM 0 HB2 GLU A 22 -19.413 -9.779 -26.285 1.00 74.43 H new ATOM 0 HB3 GLU A 22 -18.603 -10.379 -24.852 1.00 74.43 H new ATOM 0 HG2 GLU A 22 -18.516 -7.948 -24.902 1.00 32.10 H new ATOM 0 HG3 GLU A 22 -16.899 -8.608 -25.046 1.00 32.10 H new ATOM 360 N ILE A 23 -15.840 -11.707 -25.239 1.00 21.20 N ATOM 361 CA ILE A 23 -14.512 -11.814 -24.648 1.00 64.15 C ATOM 362 C ILE A 23 -13.481 -12.243 -25.687 1.00 70.13 C ATOM 363 O ILE A 23 -12.318 -11.844 -25.626 1.00 41.13 O ATOM 364 CB ILE A 23 -14.494 -12.817 -23.480 1.00 10.02 C ATOM 365 CG1 ILE A 23 -15.458 -12.368 -22.379 1.00 62.14 C ATOM 366 CG2 ILE A 23 -13.084 -12.963 -22.929 1.00 24.53 C ATOM 367 CD1 ILE A 23 -16.030 -13.513 -21.573 1.00 72.15 C ATOM 0 H ILE A 23 -16.511 -12.395 -24.897 1.00 21.20 H new ATOM 0 HA ILE A 23 -14.255 -10.824 -24.270 1.00 64.15 H new ATOM 0 HB ILE A 23 -14.821 -13.789 -23.850 1.00 10.02 H new ATOM 0 HG12 ILE A 23 -14.937 -11.686 -21.707 1.00 62.14 H new ATOM 0 HG13 ILE A 23 -16.277 -11.807 -22.830 1.00 62.14 H new ATOM 0 HG21 ILE A 23 -13.088 -13.675 -22.104 1.00 24.53 H new ATOM 0 HG22 ILE A 23 -12.421 -13.323 -23.716 1.00 24.53 H new ATOM 0 HG23 ILE A 23 -12.731 -11.996 -22.572 1.00 24.53 H new ATOM 0 HD11 ILE A 23 -16.704 -13.121 -20.812 1.00 72.15 H new ATOM 0 HD12 ILE A 23 -16.579 -14.184 -22.233 1.00 72.15 H new ATOM 0 HD13 ILE A 23 -15.219 -14.061 -21.093 1.00 72.15 H new ATOM 379 N LYS A 24 -13.916 -13.058 -26.643 1.00 1.15 N ATOM 380 CA LYS A 24 -13.033 -13.540 -27.698 1.00 51.22 C ATOM 381 C LYS A 24 -12.495 -12.380 -28.529 1.00 51.45 C ATOM 382 O LYS A 24 -11.320 -12.357 -28.897 1.00 31.45 O ATOM 383 CB LYS A 24 -13.776 -14.527 -28.601 1.00 40.15 C ATOM 384 CG LYS A 24 -14.044 -15.870 -27.944 1.00 53.41 C ATOM 385 CD LYS A 24 -14.987 -16.721 -28.779 1.00 3.44 C ATOM 386 CE LYS A 24 -14.365 -17.094 -30.115 1.00 44.24 C ATOM 387 NZ LYS A 24 -15.014 -18.292 -30.714 1.00 74.43 N ATOM 0 H LYS A 24 -14.875 -13.398 -26.708 1.00 1.15 H new ATOM 0 HA LYS A 24 -12.191 -14.049 -27.229 1.00 51.22 H new ATOM 0 HB2 LYS A 24 -14.725 -14.085 -28.905 1.00 40.15 H new ATOM 0 HB3 LYS A 24 -13.193 -14.686 -29.508 1.00 40.15 H new ATOM 0 HG2 LYS A 24 -13.103 -16.401 -27.802 1.00 53.41 H new ATOM 0 HG3 LYS A 24 -14.474 -15.713 -26.955 1.00 53.41 H new ATOM 0 HD2 LYS A 24 -15.243 -17.627 -28.230 1.00 3.44 H new ATOM 0 HD3 LYS A 24 -15.916 -16.177 -28.948 1.00 3.44 H new ATOM 0 HE2 LYS A 24 -14.451 -16.253 -30.803 1.00 44.24 H new ATOM 0 HE3 LYS A 24 -13.301 -17.287 -29.979 1.00 44.24 H new ATOM 0 HZ1 LYS A 24 -14.561 -18.514 -31.624 1.00 74.43 H new ATOM 0 HZ2 LYS A 24 -14.911 -19.102 -30.069 1.00 74.43 H new ATOM 0 HZ3 LYS A 24 -16.024 -18.099 -30.868 1.00 74.43 H new ATOM 401 N LYS A 25 -13.362 -11.416 -28.822 1.00 44.33 N ATOM 402 CA LYS A 25 -12.974 -10.250 -29.608 1.00 24.23 C ATOM 403 C LYS A 25 -12.100 -9.307 -28.787 1.00 14.24 C ATOM 404 O LYS A 25 -11.051 -8.858 -29.248 1.00 33.25 O ATOM 405 CB LYS A 25 -14.216 -9.508 -30.105 1.00 72.45 C ATOM 406 CG LYS A 25 -14.955 -10.236 -31.216 1.00 3.32 C ATOM 407 CD LYS A 25 -16.424 -9.851 -31.253 1.00 51.35 C ATOM 408 CE LYS A 25 -17.237 -10.835 -32.080 1.00 32.21 C ATOM 409 NZ LYS A 25 -17.204 -10.501 -33.531 1.00 32.52 N ATOM 0 H LYS A 25 -14.338 -11.419 -28.527 1.00 44.33 H new ATOM 0 HA LYS A 25 -12.398 -10.597 -30.466 1.00 24.23 H new ATOM 0 HB2 LYS A 25 -14.896 -9.354 -29.268 1.00 72.45 H new ATOM 0 HB3 LYS A 25 -13.921 -8.521 -30.462 1.00 72.45 H new ATOM 0 HG2 LYS A 25 -14.493 -10.003 -32.175 1.00 3.32 H new ATOM 0 HG3 LYS A 25 -14.863 -11.312 -31.071 1.00 3.32 H new ATOM 0 HD2 LYS A 25 -16.818 -9.815 -30.237 1.00 51.35 H new ATOM 0 HD3 LYS A 25 -16.528 -8.850 -31.671 1.00 51.35 H new ATOM 0 HE2 LYS A 25 -16.849 -11.843 -31.930 1.00 32.21 H new ATOM 0 HE3 LYS A 25 -18.270 -10.836 -31.731 1.00 32.21 H new ATOM 0 HZ1 LYS A 25 -17.770 -11.195 -34.060 1.00 32.52 H new ATOM 0 HZ2 LYS A 25 -17.598 -9.550 -33.677 1.00 32.52 H new ATOM 0 HZ3 LYS A 25 -16.221 -10.525 -33.870 1.00 32.52 H new ATOM 423 N ALA A 26 -12.540 -9.011 -27.568 1.00 30.43 N ATOM 424 CA ALA A 26 -11.796 -8.124 -26.682 1.00 34.54 C ATOM 425 C ALA A 26 -10.428 -8.706 -26.345 1.00 64.11 C ATOM 426 O ALA A 26 -9.467 -7.969 -26.123 1.00 22.04 O ATOM 427 CB ALA A 26 -12.589 -7.864 -25.409 1.00 62.21 C ATOM 0 H ALA A 26 -13.408 -9.372 -27.172 1.00 30.43 H new ATOM 0 HA ALA A 26 -11.641 -7.178 -27.201 1.00 34.54 H new ATOM 0 HB1 ALA A 26 -12.022 -7.200 -24.756 1.00 62.21 H new ATOM 0 HB2 ALA A 26 -13.541 -7.398 -25.662 1.00 62.21 H new ATOM 0 HB3 ALA A 26 -12.773 -8.808 -24.896 1.00 62.21 H new ATOM 433 N TYR A 27 -10.346 -10.031 -26.309 1.00 21.41 N ATOM 434 CA TYR A 27 -9.095 -10.712 -25.996 1.00 42.22 C ATOM 435 C TYR A 27 -8.110 -10.601 -27.156 1.00 61.40 C ATOM 436 O TYR A 27 -6.900 -10.504 -26.951 1.00 2.12 O ATOM 437 CB TYR A 27 -9.357 -12.184 -25.674 1.00 13.13 C ATOM 438 CG TYR A 27 -8.098 -13.013 -25.561 1.00 41.11 C ATOM 439 CD1 TYR A 27 -7.091 -12.665 -24.669 1.00 13.15 C ATOM 440 CD2 TYR A 27 -7.914 -14.143 -26.347 1.00 62.45 C ATOM 441 CE1 TYR A 27 -5.939 -13.419 -24.562 1.00 44.15 C ATOM 442 CE2 TYR A 27 -6.765 -14.904 -26.247 1.00 71.01 C ATOM 443 CZ TYR A 27 -5.780 -14.538 -25.354 1.00 14.35 C ATOM 444 OH TYR A 27 -4.634 -15.292 -25.252 1.00 0.04 O ATOM 0 H TYR A 27 -11.131 -10.655 -26.493 1.00 21.41 H new ATOM 0 HA TYR A 27 -8.657 -10.229 -25.123 1.00 42.22 H new ATOM 0 HB2 TYR A 27 -9.910 -12.249 -24.737 1.00 13.13 H new ATOM 0 HB3 TYR A 27 -9.993 -12.609 -26.450 1.00 13.13 H new ATOM 0 HD1 TYR A 27 -7.211 -11.789 -24.048 1.00 13.15 H new ATOM 0 HD2 TYR A 27 -8.682 -14.432 -27.049 1.00 62.45 H new ATOM 0 HE1 TYR A 27 -5.167 -13.135 -23.862 1.00 44.15 H new ATOM 0 HE2 TYR A 27 -6.639 -15.781 -26.865 1.00 71.01 H new ATOM 0 HH TYR A 27 -4.681 -16.045 -25.877 1.00 0.04 H new ATOM 454 N TYR A 28 -8.638 -10.617 -28.375 1.00 3.11 N ATOM 455 CA TYR A 28 -7.807 -10.520 -29.569 1.00 25.40 C ATOM 456 C TYR A 28 -7.300 -9.095 -29.767 1.00 14.23 C ATOM 457 O TYR A 28 -6.113 -8.874 -30.003 1.00 51.01 O ATOM 458 CB TYR A 28 -8.593 -10.970 -30.801 1.00 54.43 C ATOM 459 CG TYR A 28 -7.826 -10.823 -32.096 1.00 74.21 C ATOM 460 CD1 TYR A 28 -8.317 -10.039 -33.132 1.00 41.44 C ATOM 461 CD2 TYR A 28 -6.610 -11.469 -32.282 1.00 52.05 C ATOM 462 CE1 TYR A 28 -7.620 -9.903 -34.317 1.00 43.32 C ATOM 463 CE2 TYR A 28 -5.905 -11.338 -33.463 1.00 54.34 C ATOM 464 CZ TYR A 28 -6.415 -10.554 -34.478 1.00 5.02 C ATOM 465 OH TYR A 28 -5.716 -10.420 -35.656 1.00 73.00 O ATOM 0 H TYR A 28 -9.638 -10.696 -28.562 1.00 3.11 H new ATOM 0 HA TYR A 28 -6.947 -11.176 -29.436 1.00 25.40 H new ATOM 0 HB2 TYR A 28 -8.882 -12.014 -30.676 1.00 54.43 H new ATOM 0 HB3 TYR A 28 -9.514 -10.390 -30.866 1.00 54.43 H new ATOM 0 HD1 TYR A 28 -9.260 -9.527 -33.009 1.00 41.44 H new ATOM 0 HD2 TYR A 28 -6.209 -12.084 -31.490 1.00 52.05 H new ATOM 0 HE1 TYR A 28 -8.017 -9.290 -35.113 1.00 43.32 H new ATOM 0 HE2 TYR A 28 -4.961 -11.846 -33.591 1.00 54.34 H new ATOM 0 HH TYR A 28 -4.888 -10.942 -35.606 1.00 73.00 H new ATOM 475 N GLN A 29 -8.211 -8.132 -29.667 1.00 42.52 N ATOM 476 CA GLN A 29 -7.857 -6.727 -29.835 1.00 55.10 C ATOM 477 C GLN A 29 -6.819 -6.300 -28.803 1.00 41.31 C ATOM 478 O GLN A 29 -5.953 -5.471 -29.085 1.00 3.41 O ATOM 479 CB GLN A 29 -9.104 -5.848 -29.716 1.00 3.12 C ATOM 480 CG GLN A 29 -9.586 -5.667 -28.286 1.00 10.14 C ATOM 481 CD GLN A 29 -10.766 -4.720 -28.183 1.00 23.41 C ATOM 482 OE1 GLN A 29 -10.738 -3.756 -27.418 1.00 44.42 O ATOM 483 NE2 GLN A 29 -11.812 -4.991 -28.955 1.00 24.52 N ATOM 0 H GLN A 29 -9.198 -8.298 -29.471 1.00 42.52 H new ATOM 0 HA GLN A 29 -7.427 -6.603 -30.829 1.00 55.10 H new ATOM 0 HB2 GLN A 29 -8.891 -4.869 -30.145 1.00 3.12 H new ATOM 0 HB3 GLN A 29 -9.906 -6.288 -30.308 1.00 3.12 H new ATOM 0 HG2 GLN A 29 -9.867 -6.637 -27.876 1.00 10.14 H new ATOM 0 HG3 GLN A 29 -8.766 -5.288 -27.676 1.00 10.14 H new ATOM 0 HE21 GLN A 29 -11.792 -5.801 -29.575 1.00 24.52 H new ATOM 0 HE22 GLN A 29 -12.635 -4.389 -28.928 1.00 24.52 H new ATOM 492 N LEU A 30 -6.911 -6.870 -27.607 1.00 34.30 N ATOM 493 CA LEU A 30 -5.980 -6.548 -26.532 1.00 24.53 C ATOM 494 C LEU A 30 -4.608 -7.159 -26.799 1.00 22.42 C ATOM 495 O LEU A 30 -3.579 -6.522 -26.575 1.00 53.11 O ATOM 496 CB LEU A 30 -6.522 -7.051 -25.193 1.00 13.24 C ATOM 497 CG LEU A 30 -6.972 -5.974 -24.204 1.00 62.31 C ATOM 498 CD1 LEU A 30 -7.892 -4.974 -24.886 1.00 44.45 C ATOM 499 CD2 LEU A 30 -7.664 -6.606 -23.005 1.00 61.44 C ATOM 0 H LEU A 30 -7.621 -7.558 -27.357 1.00 34.30 H new ATOM 0 HA LEU A 30 -5.873 -5.464 -26.490 1.00 24.53 H new ATOM 0 HB2 LEU A 30 -7.367 -7.711 -25.390 1.00 13.24 H new ATOM 0 HB3 LEU A 30 -5.751 -7.655 -24.715 1.00 13.24 H new ATOM 0 HG LEU A 30 -6.089 -5.442 -23.850 1.00 62.31 H new ATOM 0 HD11 LEU A 30 -8.202 -4.216 -24.167 1.00 44.45 H new ATOM 0 HD12 LEU A 30 -7.363 -4.497 -25.711 1.00 44.45 H new ATOM 0 HD13 LEU A 30 -8.771 -5.491 -25.269 1.00 44.45 H new ATOM 0 HD21 LEU A 30 -7.977 -5.825 -22.312 1.00 61.44 H new ATOM 0 HD22 LEU A 30 -8.538 -7.164 -23.342 1.00 61.44 H new ATOM 0 HD23 LEU A 30 -6.973 -7.282 -22.501 1.00 61.44 H new ATOM 511 N ALA A 31 -4.601 -8.398 -27.281 1.00 30.04 N ATOM 512 CA ALA A 31 -3.356 -9.093 -27.582 1.00 71.55 C ATOM 513 C ALA A 31 -2.518 -8.309 -28.586 1.00 54.33 C ATOM 514 O ALA A 31 -1.303 -8.183 -28.433 1.00 53.30 O ATOM 515 CB ALA A 31 -3.647 -10.490 -28.112 1.00 43.11 C ATOM 0 H ALA A 31 -5.444 -8.940 -27.471 1.00 30.04 H new ATOM 0 HA ALA A 31 -2.783 -9.178 -26.658 1.00 71.55 H new ATOM 0 HB1 ALA A 31 -2.708 -10.998 -28.333 1.00 43.11 H new ATOM 0 HB2 ALA A 31 -4.198 -11.056 -27.361 1.00 43.11 H new ATOM 0 HB3 ALA A 31 -4.243 -10.417 -29.022 1.00 43.11 H new ATOM 521 N LYS A 32 -3.175 -7.783 -29.615 1.00 10.22 N ATOM 522 CA LYS A 32 -2.492 -7.009 -30.645 1.00 24.33 C ATOM 523 C LYS A 32 -1.754 -5.822 -30.034 1.00 21.12 C ATOM 524 O LYS A 32 -0.797 -5.308 -30.613 1.00 4.03 O ATOM 525 CB LYS A 32 -3.494 -6.517 -31.691 1.00 40.10 C ATOM 526 CG LYS A 32 -4.023 -7.619 -32.592 1.00 72.02 C ATOM 527 CD LYS A 32 -5.466 -7.364 -32.996 1.00 63.35 C ATOM 528 CE LYS A 32 -5.607 -6.061 -33.768 1.00 5.14 C ATOM 529 NZ LYS A 32 -4.693 -6.010 -34.943 1.00 34.32 N ATOM 0 H LYS A 32 -4.180 -7.879 -29.758 1.00 10.22 H new ATOM 0 HA LYS A 32 -1.762 -7.658 -31.128 1.00 24.33 H new ATOM 0 HB2 LYS A 32 -4.333 -6.041 -31.183 1.00 40.10 H new ATOM 0 HB3 LYS A 32 -3.019 -5.753 -32.306 1.00 40.10 H new ATOM 0 HG2 LYS A 32 -3.401 -7.690 -33.485 1.00 72.02 H new ATOM 0 HG3 LYS A 32 -3.952 -8.577 -32.077 1.00 72.02 H new ATOM 0 HD2 LYS A 32 -5.825 -8.191 -33.608 1.00 63.35 H new ATOM 0 HD3 LYS A 32 -6.094 -7.330 -32.106 1.00 63.35 H new ATOM 0 HE2 LYS A 32 -6.638 -5.948 -34.105 1.00 5.14 H new ATOM 0 HE3 LYS A 32 -5.394 -5.222 -33.106 1.00 5.14 H new ATOM 0 HZ1 LYS A 32 -4.957 -5.211 -35.554 1.00 34.32 H new ATOM 0 HZ2 LYS A 32 -3.713 -5.887 -34.616 1.00 34.32 H new ATOM 0 HZ3 LYS A 32 -4.770 -6.897 -35.481 1.00 34.32 H new ATOM 543 N LYS A 33 -2.204 -5.392 -28.860 1.00 54.32 N ATOM 544 CA LYS A 33 -1.586 -4.267 -28.169 1.00 0.04 C ATOM 545 C LYS A 33 -0.260 -4.679 -27.536 1.00 75.23 C ATOM 546 O LYS A 33 0.689 -3.897 -27.496 1.00 42.41 O ATOM 547 CB LYS A 33 -2.529 -3.722 -27.093 1.00 63.31 C ATOM 548 CG LYS A 33 -3.967 -3.581 -27.560 1.00 31.00 C ATOM 549 CD LYS A 33 -4.748 -2.622 -26.678 1.00 11.25 C ATOM 550 CE LYS A 33 -4.581 -1.181 -27.136 1.00 23.13 C ATOM 551 NZ LYS A 33 -4.970 -0.213 -26.074 1.00 13.52 N ATOM 0 H LYS A 33 -2.995 -5.806 -28.367 1.00 54.32 H new ATOM 0 HA LYS A 33 -1.391 -3.485 -28.903 1.00 0.04 H new ATOM 0 HB2 LYS A 33 -2.500 -4.384 -26.227 1.00 63.31 H new ATOM 0 HB3 LYS A 33 -2.166 -2.749 -26.763 1.00 63.31 H new ATOM 0 HG2 LYS A 33 -3.983 -3.224 -28.590 1.00 31.00 H new ATOM 0 HG3 LYS A 33 -4.450 -4.558 -27.554 1.00 31.00 H new ATOM 0 HD2 LYS A 33 -5.804 -2.890 -26.694 1.00 11.25 H new ATOM 0 HD3 LYS A 33 -4.410 -2.718 -25.646 1.00 11.25 H new ATOM 0 HE2 LYS A 33 -3.543 -1.009 -27.422 1.00 23.13 H new ATOM 0 HE3 LYS A 33 -5.189 -1.009 -28.024 1.00 23.13 H new ATOM 0 HZ1 LYS A 33 -4.842 0.758 -26.425 1.00 13.52 H new ATOM 0 HZ2 LYS A 33 -5.967 -0.360 -25.819 1.00 13.52 H new ATOM 0 HZ3 LYS A 33 -4.373 -0.359 -25.235 1.00 13.52 H new ATOM 786 N LYS A 48 2.882 -8.155 -19.547 1.00 34.14 N ATOM 787 CA LYS A 48 1.534 -7.600 -19.582 1.00 11.31 C ATOM 788 C LYS A 48 0.610 -8.467 -20.431 1.00 41.23 C ATOM 789 O LYS A 48 -0.578 -8.599 -20.137 1.00 21.24 O ATOM 790 CB LYS A 48 1.562 -6.173 -20.134 1.00 43.14 C ATOM 791 CG LYS A 48 2.657 -5.309 -19.532 1.00 72.00 C ATOM 792 CD LYS A 48 2.523 -5.213 -18.021 1.00 64.14 C ATOM 793 CE LYS A 48 3.649 -4.390 -17.414 1.00 13.43 C ATOM 794 NZ LYS A 48 3.293 -2.946 -17.323 1.00 64.35 N ATOM 0 HA LYS A 48 1.149 -7.581 -18.562 1.00 11.31 H new ATOM 0 HB2 LYS A 48 1.696 -6.213 -21.215 1.00 43.14 H new ATOM 0 HB3 LYS A 48 0.596 -5.702 -19.949 1.00 43.14 H new ATOM 0 HG2 LYS A 48 3.632 -5.726 -19.786 1.00 72.00 H new ATOM 0 HG3 LYS A 48 2.614 -4.310 -19.966 1.00 72.00 H new ATOM 0 HD2 LYS A 48 1.564 -4.762 -17.767 1.00 64.14 H new ATOM 0 HD3 LYS A 48 2.529 -6.214 -17.590 1.00 64.14 H new ATOM 0 HE2 LYS A 48 3.882 -4.770 -16.419 1.00 13.43 H new ATOM 0 HE3 LYS A 48 4.549 -4.505 -18.018 1.00 13.43 H new ATOM 0 HZ1 LYS A 48 4.086 -2.419 -16.904 1.00 64.35 H new ATOM 0 HZ2 LYS A 48 3.096 -2.576 -18.275 1.00 64.35 H new ATOM 0 HZ3 LYS A 48 2.449 -2.834 -16.726 1.00 64.35 H new ATOM 808 N PHE A 49 1.164 -9.057 -21.486 1.00 13.43 N ATOM 809 CA PHE A 49 0.389 -9.912 -22.377 1.00 42.35 C ATOM 810 C PHE A 49 -0.052 -11.186 -21.662 1.00 44.45 C ATOM 811 O PHE A 49 -1.128 -11.720 -21.930 1.00 42.13 O ATOM 812 CB PHE A 49 1.211 -10.268 -23.618 1.00 21.10 C ATOM 813 CG PHE A 49 0.569 -11.316 -24.481 1.00 65.53 C ATOM 814 CD1 PHE A 49 -0.281 -10.957 -25.514 1.00 43.15 C ATOM 815 CD2 PHE A 49 0.816 -12.662 -24.259 1.00 42.31 C ATOM 816 CE1 PHE A 49 -0.872 -11.919 -26.311 1.00 75.10 C ATOM 817 CE2 PHE A 49 0.228 -13.628 -25.053 1.00 33.24 C ATOM 818 CZ PHE A 49 -0.619 -13.257 -26.079 1.00 4.40 C ATOM 0 H PHE A 49 2.146 -8.958 -21.744 1.00 13.43 H new ATOM 0 HA PHE A 49 -0.501 -9.363 -22.684 1.00 42.35 H new ATOM 0 HB2 PHE A 49 1.368 -9.367 -24.211 1.00 21.10 H new ATOM 0 HB3 PHE A 49 2.194 -10.619 -23.305 1.00 21.10 H new ATOM 0 HD1 PHE A 49 -0.484 -9.913 -25.699 1.00 43.15 H new ATOM 0 HD2 PHE A 49 1.475 -12.959 -23.457 1.00 42.31 H new ATOM 0 HE1 PHE A 49 -1.531 -11.625 -27.114 1.00 75.10 H new ATOM 0 HE2 PHE A 49 0.431 -14.673 -24.871 1.00 33.24 H new ATOM 0 HZ PHE A 49 -1.082 -14.011 -26.698 1.00 4.40 H new ATOM 828 N SER A 50 0.789 -11.667 -20.752 1.00 15.11 N ATOM 829 CA SER A 50 0.489 -12.880 -20.001 1.00 33.32 C ATOM 830 C SER A 50 -0.809 -12.726 -19.214 1.00 55.53 C ATOM 831 O SER A 50 -1.570 -13.680 -19.058 1.00 61.43 O ATOM 832 CB SER A 50 1.639 -13.213 -19.048 1.00 73.24 C ATOM 833 OG SER A 50 1.272 -14.242 -18.146 1.00 32.22 O ATOM 0 H SER A 50 1.683 -11.235 -20.517 1.00 15.11 H new ATOM 0 HA SER A 50 0.367 -13.697 -20.713 1.00 33.32 H new ATOM 0 HB2 SER A 50 2.513 -13.522 -19.622 1.00 73.24 H new ATOM 0 HB3 SER A 50 1.923 -12.321 -18.490 1.00 73.24 H new ATOM 0 HG SER A 50 2.024 -14.437 -17.549 1.00 32.22 H new ATOM 839 N GLN A 51 -1.055 -11.516 -18.721 1.00 43.25 N ATOM 840 CA GLN A 51 -2.260 -11.235 -17.950 1.00 70.54 C ATOM 841 C GLN A 51 -3.506 -11.368 -18.820 1.00 62.12 C ATOM 842 O GLN A 51 -4.594 -11.663 -18.324 1.00 1.12 O ATOM 843 CB GLN A 51 -2.191 -9.831 -17.349 1.00 1.23 C ATOM 844 CG GLN A 51 -1.179 -9.701 -16.222 1.00 2.30 C ATOM 845 CD GLN A 51 -1.656 -10.339 -14.932 1.00 50.13 C ATOM 846 OE1 GLN A 51 -1.852 -11.552 -14.862 1.00 73.52 O ATOM 847 NE2 GLN A 51 -1.845 -9.523 -13.902 1.00 54.53 N ATOM 0 H GLN A 51 -0.436 -10.715 -18.842 1.00 43.25 H new ATOM 0 HA GLN A 51 -2.323 -11.965 -17.143 1.00 70.54 H new ATOM 0 HB2 GLN A 51 -1.939 -9.120 -18.136 1.00 1.23 H new ATOM 0 HB3 GLN A 51 -3.177 -9.556 -16.974 1.00 1.23 H new ATOM 0 HG2 GLN A 51 -0.240 -10.164 -16.526 1.00 2.30 H new ATOM 0 HG3 GLN A 51 -0.971 -8.646 -16.046 1.00 2.30 H new ATOM 0 HE21 GLN A 51 -1.670 -8.523 -14.005 1.00 54.53 H new ATOM 0 HE22 GLN A 51 -2.165 -9.896 -13.008 1.00 54.53 H new ATOM 856 N LEU A 52 -3.340 -11.148 -20.120 1.00 21.53 N ATOM 857 CA LEU A 52 -4.452 -11.243 -21.060 1.00 25.23 C ATOM 858 C LEU A 52 -4.969 -12.675 -21.149 1.00 23.31 C ATOM 859 O LEU A 52 -6.167 -12.923 -21.014 1.00 4.40 O ATOM 860 CB LEU A 52 -4.017 -10.759 -22.444 1.00 53.51 C ATOM 861 CG LEU A 52 -3.480 -9.329 -22.517 1.00 11.33 C ATOM 862 CD1 LEU A 52 -2.794 -9.084 -23.851 1.00 42.55 C ATOM 863 CD2 LEU A 52 -4.604 -8.325 -22.300 1.00 65.43 C ATOM 0 H LEU A 52 -2.447 -10.903 -20.547 1.00 21.53 H new ATOM 0 HA LEU A 52 -5.259 -10.607 -20.696 1.00 25.23 H new ATOM 0 HB2 LEU A 52 -3.247 -11.434 -22.818 1.00 53.51 H new ATOM 0 HB3 LEU A 52 -4.868 -10.841 -23.120 1.00 53.51 H new ATOM 0 HG LEU A 52 -2.744 -9.197 -21.724 1.00 11.33 H new ATOM 0 HD11 LEU A 52 -2.418 -8.061 -23.885 1.00 42.55 H new ATOM 0 HD12 LEU A 52 -1.963 -9.780 -23.966 1.00 42.55 H new ATOM 0 HD13 LEU A 52 -3.508 -9.235 -24.661 1.00 42.55 H new ATOM 0 HD21 LEU A 52 -4.203 -7.313 -22.355 1.00 65.43 H new ATOM 0 HD22 LEU A 52 -5.364 -8.457 -23.070 1.00 65.43 H new ATOM 0 HD23 LEU A 52 -5.051 -8.485 -21.319 1.00 65.43 H new ATOM 875 N ALA A 53 -4.057 -13.615 -21.375 1.00 22.31 N ATOM 876 CA ALA A 53 -4.420 -15.023 -21.478 1.00 31.25 C ATOM 877 C ALA A 53 -4.915 -15.562 -20.139 1.00 44.52 C ATOM 878 O ALA A 53 -5.830 -16.382 -20.091 1.00 14.13 O ATOM 879 CB ALA A 53 -3.235 -15.839 -21.972 1.00 20.45 C ATOM 0 H ALA A 53 -3.061 -13.427 -21.490 1.00 22.31 H new ATOM 0 HA ALA A 53 -5.233 -15.111 -22.198 1.00 31.25 H new ATOM 0 HB1 ALA A 53 -3.521 -16.888 -22.044 1.00 20.45 H new ATOM 0 HB2 ALA A 53 -2.929 -15.478 -22.954 1.00 20.45 H new ATOM 0 HB3 ALA A 53 -2.405 -15.736 -21.273 1.00 20.45 H new ATOM 885 N GLU A 54 -4.302 -15.095 -19.056 1.00 1.42 N ATOM 886 CA GLU A 54 -4.680 -15.532 -17.717 1.00 51.41 C ATOM 887 C GLU A 54 -6.136 -15.184 -17.422 1.00 54.43 C ATOM 888 O GLU A 54 -6.911 -16.032 -16.981 1.00 52.24 O ATOM 889 CB GLU A 54 -3.769 -14.888 -16.670 1.00 24.21 C ATOM 890 CG GLU A 54 -2.387 -15.516 -16.598 1.00 4.30 C ATOM 891 CD GLU A 54 -2.334 -16.706 -15.660 1.00 14.45 C ATOM 892 OE1 GLU A 54 -3.032 -16.677 -14.625 1.00 12.25 O ATOM 893 OE2 GLU A 54 -1.595 -17.666 -15.961 1.00 31.10 O ATOM 0 H GLU A 54 -3.542 -14.415 -19.079 1.00 1.42 H new ATOM 0 HA GLU A 54 -4.566 -16.615 -17.671 1.00 51.41 H new ATOM 0 HB2 GLU A 54 -3.665 -13.826 -16.894 1.00 24.21 H new ATOM 0 HB3 GLU A 54 -4.244 -14.962 -15.692 1.00 24.21 H new ATOM 0 HG2 GLU A 54 -2.083 -15.831 -17.596 1.00 4.30 H new ATOM 0 HG3 GLU A 54 -1.668 -14.766 -16.268 1.00 4.30 H new ATOM 900 N ALA A 55 -6.500 -13.929 -17.669 1.00 35.51 N ATOM 901 CA ALA A 55 -7.863 -13.469 -17.432 1.00 1.12 C ATOM 902 C ALA A 55 -8.828 -14.058 -18.455 1.00 64.04 C ATOM 903 O ALA A 55 -9.985 -14.337 -18.143 1.00 14.00 O ATOM 904 CB ALA A 55 -7.919 -11.949 -17.464 1.00 53.24 C ATOM 0 H ALA A 55 -5.870 -13.214 -18.033 1.00 35.51 H new ATOM 0 HA ALA A 55 -8.170 -13.813 -16.444 1.00 1.12 H new ATOM 0 HB1 ALA A 55 -8.942 -11.619 -17.286 1.00 53.24 H new ATOM 0 HB2 ALA A 55 -7.267 -11.545 -16.690 1.00 53.24 H new ATOM 0 HB3 ALA A 55 -7.588 -11.593 -18.440 1.00 53.24 H new ATOM 910 N TYR A 56 -8.344 -14.244 -19.678 1.00 62.14 N ATOM 911 CA TYR A 56 -9.165 -14.797 -20.749 1.00 64.30 C ATOM 912 C TYR A 56 -9.446 -16.278 -20.511 1.00 3.35 C ATOM 913 O TYR A 56 -10.458 -16.809 -20.966 1.00 22.10 O ATOM 914 CB TYR A 56 -8.472 -14.609 -22.100 1.00 32.50 C ATOM 915 CG TYR A 56 -9.080 -15.434 -23.212 1.00 31.21 C ATOM 916 CD1 TYR A 56 -10.112 -14.930 -23.993 1.00 52.13 C ATOM 917 CD2 TYR A 56 -8.621 -16.718 -23.482 1.00 14.15 C ATOM 918 CE1 TYR A 56 -10.671 -15.680 -25.010 1.00 20.34 C ATOM 919 CE2 TYR A 56 -9.173 -17.475 -24.497 1.00 13.01 C ATOM 920 CZ TYR A 56 -10.198 -16.952 -25.258 1.00 30.04 C ATOM 921 OH TYR A 56 -10.751 -17.702 -26.270 1.00 71.21 O ATOM 0 H TYR A 56 -7.388 -14.020 -19.953 1.00 62.14 H new ATOM 0 HA TYR A 56 -10.115 -14.262 -20.757 1.00 64.30 H new ATOM 0 HB2 TYR A 56 -8.513 -13.555 -22.376 1.00 32.50 H new ATOM 0 HB3 TYR A 56 -7.419 -14.871 -21.998 1.00 32.50 H new ATOM 0 HD1 TYR A 56 -10.484 -13.934 -23.802 1.00 52.13 H new ATOM 0 HD2 TYR A 56 -7.819 -17.131 -22.888 1.00 14.15 H new ATOM 0 HE1 TYR A 56 -11.473 -15.273 -25.607 1.00 20.34 H new ATOM 0 HE2 TYR A 56 -8.804 -18.471 -24.694 1.00 13.01 H new ATOM 0 HH TYR A 56 -10.304 -18.573 -26.313 1.00 71.21 H new ATOM 931 N GLU A 57 -8.542 -16.937 -19.792 1.00 42.14 N ATOM 932 CA GLU A 57 -8.692 -18.356 -19.493 1.00 71.10 C ATOM 933 C GLU A 57 -9.988 -18.617 -18.731 1.00 31.11 C ATOM 934 O GLU A 57 -10.771 -19.494 -19.097 1.00 1.01 O ATOM 935 CB GLU A 57 -7.498 -18.857 -18.678 1.00 33.24 C ATOM 936 CG GLU A 57 -6.348 -19.365 -19.531 1.00 74.30 C ATOM 937 CD GLU A 57 -5.008 -19.249 -18.832 1.00 63.33 C ATOM 938 OE1 GLU A 57 -4.083 -18.649 -19.420 1.00 31.41 O ATOM 939 OE2 GLU A 57 -4.883 -19.758 -17.699 1.00 24.20 O ATOM 0 H GLU A 57 -7.699 -16.511 -19.406 1.00 42.14 H new ATOM 0 HA GLU A 57 -8.731 -18.898 -20.438 1.00 71.10 H new ATOM 0 HB2 GLU A 57 -7.138 -18.048 -18.042 1.00 33.24 H new ATOM 0 HB3 GLU A 57 -7.830 -19.658 -18.017 1.00 33.24 H new ATOM 0 HG2 GLU A 57 -6.528 -20.408 -19.793 1.00 74.30 H new ATOM 0 HG3 GLU A 57 -6.317 -18.803 -20.464 1.00 74.30 H new ATOM 946 N VAL A 58 -10.208 -17.849 -17.668 1.00 63.51 N ATOM 947 CA VAL A 58 -11.408 -17.996 -16.854 1.00 32.31 C ATOM 948 C VAL A 58 -12.627 -17.414 -17.562 1.00 23.45 C ATOM 949 O VAL A 58 -13.709 -18.002 -17.542 1.00 13.34 O ATOM 950 CB VAL A 58 -11.246 -17.308 -15.485 1.00 62.34 C ATOM 951 CG1 VAL A 58 -12.428 -17.628 -14.583 1.00 50.13 C ATOM 952 CG2 VAL A 58 -9.937 -17.726 -14.831 1.00 74.05 C ATOM 0 H VAL A 58 -9.570 -17.119 -17.351 1.00 63.51 H new ATOM 0 HA VAL A 58 -11.557 -19.065 -16.700 1.00 32.31 H new ATOM 0 HB VAL A 58 -11.220 -16.229 -15.640 1.00 62.34 H new ATOM 0 HG11 VAL A 58 -12.296 -17.133 -13.621 1.00 50.13 H new ATOM 0 HG12 VAL A 58 -13.348 -17.275 -15.049 1.00 50.13 H new ATOM 0 HG13 VAL A 58 -12.489 -18.706 -14.432 1.00 50.13 H new ATOM 0 HG21 VAL A 58 -9.839 -17.231 -13.865 1.00 74.05 H new ATOM 0 HG22 VAL A 58 -9.931 -18.806 -14.687 1.00 74.05 H new ATOM 0 HG23 VAL A 58 -9.103 -17.440 -15.472 1.00 74.05 H new ATOM 962 N LEU A 59 -12.444 -16.257 -18.187 1.00 42.11 N ATOM 963 CA LEU A 59 -13.529 -15.594 -18.903 1.00 24.31 C ATOM 964 C LEU A 59 -13.912 -16.376 -20.156 1.00 3.15 C ATOM 965 O LEU A 59 -14.934 -16.100 -20.783 1.00 12.10 O ATOM 966 CB LEU A 59 -13.121 -14.170 -19.282 1.00 4.42 C ATOM 967 CG LEU A 59 -13.424 -13.087 -18.246 1.00 2.42 C ATOM 968 CD1 LEU A 59 -14.924 -12.872 -18.121 1.00 52.04 C ATOM 969 CD2 LEU A 59 -12.822 -13.455 -16.897 1.00 73.24 C ATOM 0 H LEU A 59 -11.555 -15.758 -18.213 1.00 42.11 H new ATOM 0 HA LEU A 59 -14.396 -15.553 -18.243 1.00 24.31 H new ATOM 0 HB2 LEU A 59 -12.050 -14.162 -19.484 1.00 4.42 H new ATOM 0 HB3 LEU A 59 -13.623 -13.905 -20.213 1.00 4.42 H new ATOM 0 HG LEU A 59 -12.971 -12.154 -18.581 1.00 2.42 H new ATOM 0 HD11 LEU A 59 -15.120 -12.098 -17.379 1.00 52.04 H new ATOM 0 HD12 LEU A 59 -15.329 -12.562 -19.085 1.00 52.04 H new ATOM 0 HD13 LEU A 59 -15.400 -13.802 -17.810 1.00 52.04 H new ATOM 0 HD21 LEU A 59 -13.048 -12.673 -16.172 1.00 73.24 H new ATOM 0 HD22 LEU A 59 -13.245 -14.400 -16.555 1.00 73.24 H new ATOM 0 HD23 LEU A 59 -11.741 -13.557 -16.996 1.00 73.24 H new ATOM 981 N SER A 60 -13.085 -17.354 -20.513 1.00 13.25 N ATOM 982 CA SER A 60 -13.337 -18.175 -21.691 1.00 44.11 C ATOM 983 C SER A 60 -14.478 -19.155 -21.437 1.00 53.43 C ATOM 984 O SER A 60 -15.011 -19.759 -22.368 1.00 63.13 O ATOM 985 CB SER A 60 -12.071 -18.939 -22.085 1.00 74.53 C ATOM 986 OG SER A 60 -12.360 -19.944 -23.043 1.00 1.43 O ATOM 0 H SER A 60 -12.235 -17.597 -20.003 1.00 13.25 H new ATOM 0 HA SER A 60 -13.625 -17.515 -22.509 1.00 44.11 H new ATOM 0 HB2 SER A 60 -11.335 -18.245 -22.492 1.00 74.53 H new ATOM 0 HB3 SER A 60 -11.626 -19.393 -21.200 1.00 74.53 H new ATOM 0 HG SER A 60 -13.327 -20.103 -23.069 1.00 1.43 H new ATOM 992 N ASP A 61 -14.849 -19.306 -20.171 1.00 24.04 N ATOM 993 CA ASP A 61 -15.928 -20.211 -19.793 1.00 23.25 C ATOM 994 C ASP A 61 -16.829 -19.573 -18.740 1.00 4.02 C ATOM 995 O ASP A 61 -16.351 -18.902 -17.826 1.00 30.15 O ATOM 996 CB ASP A 61 -15.356 -21.527 -19.263 1.00 31.25 C ATOM 997 CG ASP A 61 -16.164 -22.730 -19.708 1.00 31.34 C ATOM 998 OD1 ASP A 61 -15.676 -23.867 -19.540 1.00 30.23 O ATOM 999 OD2 ASP A 61 -17.284 -22.535 -20.225 1.00 12.14 O ATOM 0 H ASP A 61 -14.418 -18.813 -19.389 1.00 24.04 H new ATOM 0 HA ASP A 61 -16.526 -20.415 -20.681 1.00 23.25 H new ATOM 0 HB2 ASP A 61 -14.327 -21.637 -19.606 1.00 31.25 H new ATOM 0 HB3 ASP A 61 -15.327 -21.495 -18.174 1.00 31.25 H new ATOM 1004 N GLU A 62 -18.134 -19.786 -18.877 1.00 24.42 N ATOM 1005 CA GLU A 62 -19.101 -19.230 -17.938 1.00 4.10 C ATOM 1006 C GLU A 62 -18.932 -19.848 -16.553 1.00 11.21 C ATOM 1007 O GLU A 62 -19.081 -19.170 -15.536 1.00 75.21 O ATOM 1008 CB GLU A 62 -20.526 -19.462 -18.442 1.00 74.53 C ATOM 1009 CG GLU A 62 -20.729 -19.071 -19.896 1.00 72.14 C ATOM 1010 CD GLU A 62 -22.147 -19.317 -20.375 1.00 20.35 C ATOM 1011 OE1 GLU A 62 -22.852 -18.330 -20.673 1.00 24.21 O ATOM 1012 OE2 GLU A 62 -22.552 -20.496 -20.450 1.00 61.01 O ATOM 0 H GLU A 62 -18.546 -20.339 -19.629 1.00 24.42 H new ATOM 0 HA GLU A 62 -18.920 -18.158 -17.863 1.00 4.10 H new ATOM 0 HB2 GLU A 62 -20.779 -20.515 -18.319 1.00 74.53 H new ATOM 0 HB3 GLU A 62 -21.219 -18.893 -17.822 1.00 74.53 H new ATOM 0 HG2 GLU A 62 -20.485 -18.016 -20.022 1.00 72.14 H new ATOM 0 HG3 GLU A 62 -20.036 -19.635 -20.520 1.00 72.14 H new ATOM 1019 N VAL A 63 -18.620 -21.140 -16.522 1.00 15.33 N ATOM 1020 CA VAL A 63 -18.431 -21.850 -15.263 1.00 21.23 C ATOM 1021 C VAL A 63 -17.245 -21.287 -14.487 1.00 72.31 C ATOM 1022 O VAL A 63 -17.353 -20.988 -13.298 1.00 5.13 O ATOM 1023 CB VAL A 63 -18.209 -23.356 -15.496 1.00 73.41 C ATOM 1024 CG1 VAL A 63 -18.210 -24.108 -14.173 1.00 44.45 C ATOM 1025 CG2 VAL A 63 -19.270 -23.912 -16.434 1.00 53.43 C ATOM 0 H VAL A 63 -18.493 -21.716 -17.354 1.00 15.33 H new ATOM 0 HA VAL A 63 -19.342 -21.710 -14.681 1.00 21.23 H new ATOM 0 HB VAL A 63 -17.234 -23.493 -15.964 1.00 73.41 H new ATOM 0 HG11 VAL A 63 -18.052 -25.170 -14.358 1.00 44.45 H new ATOM 0 HG12 VAL A 63 -17.410 -23.727 -13.538 1.00 44.45 H new ATOM 0 HG13 VAL A 63 -19.169 -23.966 -13.674 1.00 44.45 H new ATOM 0 HG21 VAL A 63 -19.098 -24.977 -16.588 1.00 53.43 H new ATOM 0 HG22 VAL A 63 -20.257 -23.763 -15.996 1.00 53.43 H new ATOM 0 HG23 VAL A 63 -19.216 -23.394 -17.392 1.00 53.43 H new ATOM 1035 N LYS A 64 -16.114 -21.145 -15.169 1.00 5.14 N ATOM 1036 CA LYS A 64 -14.906 -20.616 -14.546 1.00 30.05 C ATOM 1037 C LYS A 64 -15.093 -19.154 -14.151 1.00 62.42 C ATOM 1038 O LYS A 64 -14.715 -18.745 -13.053 1.00 54.02 O ATOM 1039 CB LYS A 64 -13.715 -20.750 -15.498 1.00 34.35 C ATOM 1040 CG LYS A 64 -13.193 -22.171 -15.622 1.00 32.23 C ATOM 1041 CD LYS A 64 -11.694 -22.195 -15.870 1.00 13.31 C ATOM 1042 CE LYS A 64 -10.918 -21.767 -14.634 1.00 41.40 C ATOM 1043 NZ LYS A 64 -10.542 -22.930 -13.784 1.00 60.44 N ATOM 0 H LYS A 64 -16.008 -21.389 -16.154 1.00 5.14 H new ATOM 0 HA LYS A 64 -14.709 -21.196 -13.644 1.00 30.05 H new ATOM 0 HB2 LYS A 64 -14.007 -20.392 -16.485 1.00 34.35 H new ATOM 0 HB3 LYS A 64 -12.908 -20.104 -15.151 1.00 34.35 H new ATOM 0 HG2 LYS A 64 -13.421 -22.724 -14.711 1.00 32.23 H new ATOM 0 HG3 LYS A 64 -13.706 -22.678 -16.439 1.00 32.23 H new ATOM 0 HD2 LYS A 64 -11.389 -23.199 -16.163 1.00 13.31 H new ATOM 0 HD3 LYS A 64 -11.451 -21.533 -16.701 1.00 13.31 H new ATOM 0 HE2 LYS A 64 -10.018 -21.233 -14.938 1.00 41.40 H new ATOM 0 HE3 LYS A 64 -11.520 -21.070 -14.050 1.00 41.40 H new ATOM 0 HZ1 LYS A 64 -10.015 -22.596 -12.952 1.00 60.44 H new ATOM 0 HZ2 LYS A 64 -11.402 -23.425 -13.473 1.00 60.44 H new ATOM 0 HZ3 LYS A 64 -9.946 -23.583 -14.332 1.00 60.44 H new ATOM 1057 N ARG A 65 -15.678 -18.373 -15.053 1.00 32.11 N ATOM 1058 CA ARG A 65 -15.915 -16.957 -14.798 1.00 71.33 C ATOM 1059 C ARG A 65 -16.885 -16.769 -13.635 1.00 44.32 C ATOM 1060 O ARG A 65 -16.693 -15.896 -12.788 1.00 52.01 O ATOM 1061 CB ARG A 65 -16.468 -16.277 -16.052 1.00 62.33 C ATOM 1062 CG ARG A 65 -16.718 -14.788 -15.877 1.00 73.35 C ATOM 1063 CD ARG A 65 -17.829 -14.299 -16.794 1.00 44.10 C ATOM 1064 NE ARG A 65 -18.706 -13.340 -16.127 1.00 60.44 N ATOM 1065 CZ ARG A 65 -19.939 -13.064 -16.537 1.00 70.32 C ATOM 1066 NH1 ARG A 65 -20.438 -13.671 -17.605 1.00 64.13 N ATOM 1067 NH2 ARG A 65 -20.676 -12.180 -15.878 1.00 12.14 N ATOM 0 H ARG A 65 -15.996 -18.696 -15.966 1.00 32.11 H new ATOM 0 HA ARG A 65 -14.963 -16.497 -14.533 1.00 71.33 H new ATOM 0 HB2 ARG A 65 -15.768 -16.425 -16.874 1.00 62.33 H new ATOM 0 HB3 ARG A 65 -17.401 -16.763 -16.337 1.00 62.33 H new ATOM 0 HG2 ARG A 65 -16.983 -14.582 -14.840 1.00 73.35 H new ATOM 0 HG3 ARG A 65 -15.802 -14.237 -16.087 1.00 73.35 H new ATOM 0 HD2 ARG A 65 -17.392 -13.836 -17.679 1.00 44.10 H new ATOM 0 HD3 ARG A 65 -18.417 -15.150 -17.137 1.00 44.10 H new ATOM 0 HE ARG A 65 -18.352 -12.856 -15.302 1.00 60.44 H new ATOM 0 HH11 ARG A 65 -19.875 -14.352 -18.114 1.00 64.13 H new ATOM 0 HH12 ARG A 65 -21.385 -13.457 -17.917 1.00 64.13 H new ATOM 0 HH21 ARG A 65 -20.296 -11.711 -15.056 1.00 12.14 H new ATOM 0 HH22 ARG A 65 -21.623 -11.969 -16.194 1.00 12.14 H new ATOM 1081 N LYS A 66 -17.926 -17.593 -13.601 1.00 15.42 N ATOM 1082 CA LYS A 66 -18.926 -17.518 -12.542 1.00 75.53 C ATOM 1083 C LYS A 66 -18.306 -17.833 -11.185 1.00 11.23 C ATOM 1084 O LYS A 66 -18.558 -17.136 -10.202 1.00 24.32 O ATOM 1085 CB LYS A 66 -20.074 -18.490 -12.828 1.00 11.14 C ATOM 1086 CG LYS A 66 -21.090 -17.956 -13.822 1.00 50.34 C ATOM 1087 CD LYS A 66 -21.879 -16.793 -13.244 1.00 32.34 C ATOM 1088 CE LYS A 66 -22.914 -16.276 -14.231 1.00 34.04 C ATOM 1089 NZ LYS A 66 -23.804 -15.252 -13.616 1.00 31.32 N ATOM 0 H LYS A 66 -18.100 -18.321 -14.294 1.00 15.42 H new ATOM 0 HA LYS A 66 -19.316 -16.501 -12.516 1.00 75.53 H new ATOM 0 HB2 LYS A 66 -19.661 -19.424 -13.209 1.00 11.14 H new ATOM 0 HB3 LYS A 66 -20.582 -18.724 -11.893 1.00 11.14 H new ATOM 0 HG2 LYS A 66 -20.578 -17.634 -14.729 1.00 50.34 H new ATOM 0 HG3 LYS A 66 -21.775 -18.755 -14.108 1.00 50.34 H new ATOM 0 HD2 LYS A 66 -22.376 -17.109 -12.327 1.00 32.34 H new ATOM 0 HD3 LYS A 66 -21.196 -15.987 -12.975 1.00 32.34 H new ATOM 0 HE2 LYS A 66 -22.408 -15.846 -15.095 1.00 34.04 H new ATOM 0 HE3 LYS A 66 -23.516 -17.108 -14.596 1.00 34.04 H new ATOM 0 HZ1 LYS A 66 -24.495 -14.925 -14.321 1.00 31.32 H new ATOM 0 HZ2 LYS A 66 -24.306 -15.669 -12.806 1.00 31.32 H new ATOM 0 HZ3 LYS A 66 -23.233 -14.446 -13.291 1.00 31.32 H new