USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=13 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 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.02 K(o=-1,f=-2.8) USER MOD Single : A 17 ASN : amide:sc= -0.0857 K(o=-0.086,f=-1.4!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.282 USER MOD Single : A 20 GLN :FLIP amide:sc= -2.16 F(o=-3.5,f=-2.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -151:sc=-0.00812 (180deg=-0.919) 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= -0.883 K(o=-0.88,f=-4.8!) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0409 (180deg=-0.278) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.176 (180deg=-0.738) 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= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0415 USER MOD Single : A 60 SER OG : rot -12:sc= 0.24! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0482 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 -9.830 -6.826 -11.712 1.00 11.34 N ATOM 102 CA ASP A 7 -10.624 -7.958 -12.174 1.00 21.54 C ATOM 103 C ASP A 7 -10.327 -8.269 -13.637 1.00 70.04 C ATOM 104 O ASP A 7 -9.906 -7.395 -14.395 1.00 2.41 O ATOM 105 CB ASP A 7 -12.115 -7.671 -11.993 1.00 32.24 C ATOM 106 CG ASP A 7 -12.424 -7.036 -10.651 1.00 42.22 C ATOM 107 OD1 ASP A 7 -12.029 -7.613 -9.616 1.00 52.21 O ATOM 108 OD2 ASP A 7 -13.059 -5.961 -10.636 1.00 50.05 O ATOM 0 HA ASP A 7 -10.354 -8.828 -11.575 1.00 21.54 H new ATOM 0 HB2 ASP A 7 -12.454 -7.010 -12.791 1.00 32.24 H new ATOM 0 HB3 ASP A 7 -12.675 -8.601 -12.089 1.00 32.24 H new ATOM 113 N TYR A 8 -10.548 -9.519 -14.028 1.00 73.11 N ATOM 114 CA TYR A 8 -10.301 -9.946 -15.400 1.00 72.12 C ATOM 115 C TYR A 8 -11.120 -9.117 -16.385 1.00 33.13 C ATOM 116 O TYR A 8 -10.690 -8.866 -17.511 1.00 34.22 O ATOM 117 CB TYR A 8 -10.636 -11.430 -15.563 1.00 54.41 C ATOM 118 CG TYR A 8 -10.042 -12.307 -14.484 1.00 52.33 C ATOM 119 CD1 TYR A 8 -10.781 -13.335 -13.912 1.00 54.12 C ATOM 120 CD2 TYR A 8 -8.742 -12.107 -14.036 1.00 53.23 C ATOM 121 CE1 TYR A 8 -10.243 -14.138 -12.926 1.00 30.43 C ATOM 122 CE2 TYR A 8 -8.195 -12.906 -13.051 1.00 73.35 C ATOM 123 CZ TYR A 8 -8.950 -13.920 -12.499 1.00 64.52 C ATOM 124 OH TYR A 8 -8.409 -14.718 -11.517 1.00 22.21 O ATOM 0 H TYR A 8 -10.898 -10.255 -13.414 1.00 73.11 H new ATOM 0 HA TYR A 8 -9.244 -9.793 -15.616 1.00 72.12 H new ATOM 0 HB2 TYR A 8 -11.719 -11.551 -15.563 1.00 54.41 H new ATOM 0 HB3 TYR A 8 -10.277 -11.770 -16.534 1.00 54.41 H new ATOM 0 HD1 TYR A 8 -11.794 -13.509 -14.244 1.00 54.12 H new ATOM 0 HD2 TYR A 8 -8.149 -11.313 -14.465 1.00 53.23 H new ATOM 0 HE1 TYR A 8 -10.832 -14.932 -12.492 1.00 30.43 H new ATOM 0 HE2 TYR A 8 -7.182 -12.738 -12.715 1.00 73.35 H new ATOM 0 HH TYR A 8 -7.490 -14.433 -11.333 1.00 22.21 H new ATOM 134 N TYR A 9 -12.303 -8.694 -15.951 1.00 65.12 N ATOM 135 CA TYR A 9 -13.184 -7.895 -16.793 1.00 51.45 C ATOM 136 C TYR A 9 -12.446 -6.687 -17.362 1.00 50.35 C ATOM 137 O TYR A 9 -12.540 -6.394 -18.554 1.00 12.30 O ATOM 138 CB TYR A 9 -14.404 -7.431 -15.996 1.00 33.43 C ATOM 139 CG TYR A 9 -15.157 -8.561 -15.331 1.00 34.34 C ATOM 140 CD1 TYR A 9 -14.955 -8.863 -13.989 1.00 55.44 C ATOM 141 CD2 TYR A 9 -16.072 -9.327 -16.044 1.00 21.05 C ATOM 142 CE1 TYR A 9 -15.641 -9.894 -13.378 1.00 62.41 C ATOM 143 CE2 TYR A 9 -16.763 -10.360 -15.440 1.00 2.10 C ATOM 144 CZ TYR A 9 -16.543 -10.640 -14.107 1.00 75.04 C ATOM 145 OH TYR A 9 -17.229 -11.668 -13.502 1.00 13.24 O ATOM 0 H TYR A 9 -12.673 -8.892 -15.021 1.00 65.12 H new ATOM 0 HA TYR A 9 -13.516 -8.520 -17.622 1.00 51.45 H new ATOM 0 HB2 TYR A 9 -14.081 -6.722 -15.234 1.00 33.43 H new ATOM 0 HB3 TYR A 9 -15.081 -6.897 -16.662 1.00 33.43 H new ATOM 0 HD1 TYR A 9 -14.249 -8.281 -13.414 1.00 55.44 H new ATOM 0 HD2 TYR A 9 -16.246 -9.111 -17.088 1.00 21.05 H new ATOM 0 HE1 TYR A 9 -15.472 -10.115 -12.334 1.00 62.41 H new ATOM 0 HE2 TYR A 9 -17.471 -10.945 -16.008 1.00 2.10 H new ATOM 0 HH TYR A 9 -17.825 -12.092 -14.154 1.00 13.24 H new ATOM 155 N GLN A 10 -11.712 -5.991 -16.501 1.00 5.52 N ATOM 156 CA GLN A 10 -10.957 -4.814 -16.917 1.00 20.31 C ATOM 157 C GLN A 10 -9.735 -5.214 -17.737 1.00 40.44 C ATOM 158 O GLN A 10 -9.399 -4.560 -18.726 1.00 24.34 O ATOM 159 CB GLN A 10 -10.523 -4.003 -15.695 1.00 43.52 C ATOM 160 CG GLN A 10 -11.683 -3.393 -14.926 1.00 14.11 C ATOM 161 CD GLN A 10 -12.240 -4.329 -13.872 1.00 15.05 C ATOM 162 OE1 GLN A 10 -11.535 -4.729 -12.945 1.00 71.30 O ATOM 163 NE2 GLN A 10 -13.513 -4.683 -14.007 1.00 30.40 N ATOM 0 H GLN A 10 -11.623 -6.221 -15.511 1.00 5.52 H new ATOM 0 HA GLN A 10 -11.605 -4.199 -17.541 1.00 20.31 H new ATOM 0 HB2 GLN A 10 -9.953 -4.647 -15.026 1.00 43.52 H new ATOM 0 HB3 GLN A 10 -9.853 -3.206 -16.018 1.00 43.52 H new ATOM 0 HG2 GLN A 10 -11.353 -2.470 -14.449 1.00 14.11 H new ATOM 0 HG3 GLN A 10 -12.476 -3.125 -15.624 1.00 14.11 H new ATOM 0 HE21 GLN A 10 -14.061 -4.328 -14.791 1.00 30.40 H new ATOM 0 HE22 GLN A 10 -13.943 -5.310 -13.327 1.00 30.40 H new ATOM 172 N ILE A 11 -9.075 -6.289 -17.321 1.00 42.13 N ATOM 173 CA ILE A 11 -7.891 -6.775 -18.019 1.00 23.04 C ATOM 174 C ILE A 11 -8.212 -7.130 -19.466 1.00 52.13 C ATOM 175 O ILE A 11 -7.333 -7.122 -20.329 1.00 70.11 O ATOM 176 CB ILE A 11 -7.293 -8.010 -17.320 1.00 31.45 C ATOM 177 CG1 ILE A 11 -6.940 -7.681 -15.868 1.00 1.13 C ATOM 178 CG2 ILE A 11 -6.065 -8.502 -18.071 1.00 2.32 C ATOM 179 CD1 ILE A 11 -6.643 -8.902 -15.026 1.00 34.12 C ATOM 0 H ILE A 11 -9.340 -6.840 -16.504 1.00 42.13 H new ATOM 0 HA ILE A 11 -7.160 -5.967 -18.000 1.00 23.04 H new ATOM 0 HB ILE A 11 -8.038 -8.806 -17.322 1.00 31.45 H new ATOM 0 HG12 ILE A 11 -6.073 -7.021 -15.854 1.00 1.13 H new ATOM 0 HG13 ILE A 11 -7.766 -7.131 -15.417 1.00 1.13 H new ATOM 0 HG21 ILE A 11 -5.654 -9.375 -17.564 1.00 2.32 H new ATOM 0 HG22 ILE A 11 -6.345 -8.772 -19.089 1.00 2.32 H new ATOM 0 HG23 ILE A 11 -5.315 -7.712 -18.098 1.00 2.32 H new ATOM 0 HD11 ILE A 11 -6.401 -8.593 -14.009 1.00 34.12 H new ATOM 0 HD12 ILE A 11 -7.517 -9.553 -15.009 1.00 34.12 H new ATOM 0 HD13 ILE A 11 -5.797 -9.441 -15.452 1.00 34.12 H new ATOM 191 N LEU A 12 -9.478 -7.439 -19.727 1.00 25.33 N ATOM 192 CA LEU A 12 -9.917 -7.796 -21.071 1.00 50.54 C ATOM 193 C LEU A 12 -10.706 -6.655 -21.706 1.00 41.14 C ATOM 194 O LEU A 12 -10.929 -6.639 -22.916 1.00 43.12 O ATOM 195 CB LEU A 12 -10.773 -9.062 -21.030 1.00 74.35 C ATOM 196 CG LEU A 12 -10.021 -10.386 -21.175 1.00 54.20 C ATOM 197 CD1 LEU A 12 -10.955 -11.560 -20.924 1.00 64.22 C ATOM 198 CD2 LEU A 12 -9.387 -10.491 -22.554 1.00 74.14 C ATOM 0 H LEU A 12 -10.218 -7.449 -19.025 1.00 25.33 H new ATOM 0 HA LEU A 12 -9.032 -7.984 -21.678 1.00 50.54 H new ATOM 0 HB2 LEU A 12 -11.317 -9.078 -20.086 1.00 74.35 H new ATOM 0 HB3 LEU A 12 -11.516 -9.000 -21.825 1.00 74.35 H new ATOM 0 HG LEU A 12 -9.226 -10.415 -20.429 1.00 54.20 H new ATOM 0 HD11 LEU A 12 -10.403 -12.494 -21.031 1.00 64.22 H new ATOM 0 HD12 LEU A 12 -11.361 -11.493 -19.915 1.00 64.22 H new ATOM 0 HD13 LEU A 12 -11.771 -11.536 -21.646 1.00 64.22 H new ATOM 0 HD21 LEU A 12 -8.856 -11.439 -22.639 1.00 74.14 H new ATOM 0 HD22 LEU A 12 -10.164 -10.440 -23.317 1.00 74.14 H new ATOM 0 HD23 LEU A 12 -8.686 -9.669 -22.696 1.00 74.14 H new ATOM 210 N GLY A 13 -11.125 -5.700 -20.881 1.00 64.11 N ATOM 211 CA GLY A 13 -11.882 -4.568 -21.381 1.00 11.55 C ATOM 212 C GLY A 13 -13.336 -4.911 -21.640 1.00 24.04 C ATOM 213 O GLY A 13 -14.003 -4.256 -22.441 1.00 23.23 O ATOM 0 H GLY A 13 -10.954 -5.690 -19.876 1.00 64.11 H new ATOM 0 HA2 GLY A 13 -11.827 -3.752 -20.661 1.00 11.55 H new ATOM 0 HA3 GLY A 13 -11.427 -4.210 -22.304 1.00 11.55 H new ATOM 217 N VAL A 14 -13.828 -5.943 -20.961 1.00 53.43 N ATOM 218 CA VAL A 14 -15.212 -6.373 -21.122 1.00 51.34 C ATOM 219 C VAL A 14 -16.023 -6.098 -19.861 1.00 73.22 C ATOM 220 O VAL A 14 -15.495 -6.055 -18.750 1.00 63.41 O ATOM 221 CB VAL A 14 -15.298 -7.873 -21.458 1.00 61.52 C ATOM 222 CG1 VAL A 14 -14.544 -8.177 -22.744 1.00 24.23 C ATOM 223 CG2 VAL A 14 -14.761 -8.708 -20.305 1.00 70.45 C ATOM 0 H VAL A 14 -13.289 -6.496 -20.295 1.00 53.43 H new ATOM 0 HA VAL A 14 -15.628 -5.799 -21.950 1.00 51.34 H new ATOM 0 HB VAL A 14 -16.345 -8.134 -21.609 1.00 61.52 H new ATOM 0 HG11 VAL A 14 -14.616 -9.242 -22.965 1.00 24.23 H new ATOM 0 HG12 VAL A 14 -14.979 -7.606 -23.564 1.00 24.23 H new ATOM 0 HG13 VAL A 14 -13.496 -7.901 -22.625 1.00 24.23 H new ATOM 0 HG21 VAL A 14 -14.829 -9.766 -20.559 1.00 70.45 H new ATOM 0 HG22 VAL A 14 -13.719 -8.446 -20.120 1.00 70.45 H new ATOM 0 HG23 VAL A 14 -15.349 -8.512 -19.409 1.00 70.45 H new ATOM 233 N PRO A 15 -17.340 -5.908 -20.034 1.00 43.32 N ATOM 234 CA PRO A 15 -18.253 -5.635 -18.921 1.00 12.23 C ATOM 235 C PRO A 15 -18.448 -6.850 -18.020 1.00 0.53 C ATOM 236 O PRO A 15 -17.940 -7.934 -18.306 1.00 35.11 O ATOM 237 CB PRO A 15 -19.566 -5.271 -19.619 1.00 63.45 C ATOM 238 CG PRO A 15 -19.491 -5.951 -20.943 1.00 42.22 C ATOM 239 CD PRO A 15 -18.038 -5.944 -21.330 1.00 62.53 C ATOM 0 HA PRO A 15 -17.872 -4.852 -18.265 1.00 12.23 H new ATOM 0 HB2 PRO A 15 -20.428 -5.614 -19.046 1.00 63.45 H new ATOM 0 HB3 PRO A 15 -19.668 -4.192 -19.733 1.00 63.45 H new ATOM 0 HG2 PRO A 15 -19.873 -6.970 -20.881 1.00 42.22 H new ATOM 0 HG3 PRO A 15 -20.095 -5.429 -21.685 1.00 42.22 H new ATOM 0 HD2 PRO A 15 -17.771 -6.830 -21.906 1.00 62.53 H new ATOM 0 HD3 PRO A 15 -17.790 -5.078 -21.944 1.00 62.53 H new ATOM 247 N ARG A 16 -19.186 -6.661 -16.931 1.00 12.41 N ATOM 248 CA ARG A 16 -19.447 -7.741 -15.988 1.00 31.32 C ATOM 249 C ARG A 16 -20.543 -8.666 -16.510 1.00 62.11 C ATOM 250 O ARG A 16 -20.803 -9.722 -15.935 1.00 73.15 O ATOM 251 CB ARG A 16 -19.851 -7.172 -14.626 1.00 72.44 C ATOM 252 CG ARG A 16 -18.759 -6.350 -13.961 1.00 73.35 C ATOM 253 CD ARG A 16 -19.340 -5.329 -12.996 1.00 75.30 C ATOM 254 NE ARG A 16 -18.325 -4.785 -12.098 1.00 72.12 N ATOM 255 CZ ARG A 16 -17.374 -3.944 -12.488 1.00 40.03 C ATOM 256 NH1 ARG A 16 -17.309 -3.553 -13.753 1.00 45.54 N ATOM 257 NH2 ARG A 16 -16.486 -3.492 -11.612 1.00 22.30 N ATOM 0 H ARG A 16 -19.614 -5.770 -16.680 1.00 12.41 H new ATOM 0 HA ARG A 16 -18.530 -8.320 -15.875 1.00 31.32 H new ATOM 0 HB2 ARG A 16 -20.738 -6.550 -14.750 1.00 72.44 H new ATOM 0 HB3 ARG A 16 -20.128 -7.994 -13.966 1.00 72.44 H new ATOM 0 HG2 ARG A 16 -18.079 -7.012 -13.426 1.00 73.35 H new ATOM 0 HG3 ARG A 16 -18.172 -5.838 -14.724 1.00 73.35 H new ATOM 0 HD2 ARG A 16 -19.798 -4.516 -13.560 1.00 75.30 H new ATOM 0 HD3 ARG A 16 -20.131 -5.795 -12.409 1.00 75.30 H new ATOM 0 HE ARG A 16 -18.348 -5.066 -11.118 1.00 72.12 H new ATOM 0 HH11 ARG A 16 -17.990 -3.898 -14.429 1.00 45.54 H new ATOM 0 HH12 ARG A 16 -16.578 -2.907 -14.050 1.00 45.54 H new ATOM 0 HH21 ARG A 16 -16.533 -3.790 -10.638 1.00 22.30 H new ATOM 0 HH22 ARG A 16 -15.756 -2.846 -11.913 1.00 22.30 H new ATOM 271 N ASN A 17 -21.181 -8.260 -17.603 1.00 32.31 N ATOM 272 CA ASN A 17 -22.250 -9.052 -18.202 1.00 44.21 C ATOM 273 C ASN A 17 -21.836 -9.574 -19.575 1.00 4.33 C ATOM 274 O ASN A 17 -22.628 -10.201 -20.276 1.00 72.52 O ATOM 275 CB ASN A 17 -23.525 -8.215 -18.326 1.00 23.25 C ATOM 276 CG ASN A 17 -24.326 -8.189 -17.038 1.00 70.33 C ATOM 277 OD1 ASN A 17 -24.328 -9.156 -16.276 1.00 1.33 O ATOM 278 ND2 ASN A 17 -25.012 -7.080 -16.791 1.00 54.31 N ATOM 0 H ASN A 17 -20.977 -7.388 -18.092 1.00 32.31 H new ATOM 0 HA ASN A 17 -22.445 -9.905 -17.552 1.00 44.21 H new ATOM 0 HB2 ASN A 17 -23.261 -7.196 -18.608 1.00 23.25 H new ATOM 0 HB3 ASN A 17 -24.144 -8.617 -19.128 1.00 23.25 H new ATOM 0 HD21 ASN A 17 -25.570 -7.004 -15.941 1.00 54.31 H new ATOM 0 HD22 ASN A 17 -24.981 -6.303 -17.451 1.00 54.31 H new ATOM 285 N ALA A 18 -20.589 -9.310 -19.951 1.00 5.24 N ATOM 286 CA ALA A 18 -20.068 -9.755 -21.237 1.00 51.23 C ATOM 287 C ALA A 18 -20.270 -11.255 -21.422 1.00 24.02 C ATOM 288 O ALA A 18 -20.457 -11.990 -20.452 1.00 42.31 O ATOM 289 CB ALA A 18 -18.594 -9.399 -21.362 1.00 70.00 C ATOM 0 H ALA A 18 -19.921 -8.790 -19.383 1.00 5.24 H new ATOM 0 HA ALA A 18 -20.622 -9.241 -22.023 1.00 51.23 H new ATOM 0 HB1 ALA A 18 -18.219 -9.738 -22.328 1.00 70.00 H new ATOM 0 HB2 ALA A 18 -18.473 -8.319 -21.284 1.00 70.00 H new ATOM 0 HB3 ALA A 18 -18.033 -9.885 -20.564 1.00 70.00 H new ATOM 295 N SER A 19 -20.231 -11.703 -22.673 1.00 23.35 N ATOM 296 CA SER A 19 -20.414 -13.116 -22.984 1.00 63.03 C ATOM 297 C SER A 19 -19.093 -13.755 -23.404 1.00 75.12 C ATOM 298 O SER A 19 -18.107 -13.061 -23.649 1.00 22.51 O ATOM 299 CB SER A 19 -21.451 -13.284 -24.096 1.00 32.51 C ATOM 300 OG SER A 19 -21.360 -12.234 -25.042 1.00 42.23 O ATOM 0 H SER A 19 -20.074 -11.108 -23.487 1.00 23.35 H new ATOM 0 HA SER A 19 -20.771 -13.618 -22.085 1.00 63.03 H new ATOM 0 HB2 SER A 19 -21.301 -14.241 -24.595 1.00 32.51 H new ATOM 0 HB3 SER A 19 -22.452 -13.303 -23.664 1.00 32.51 H new ATOM 0 HG SER A 19 -22.032 -12.366 -25.743 1.00 42.23 H new ATOM 306 N GLN A 20 -19.085 -15.082 -23.485 1.00 2.31 N ATOM 307 CA GLN A 20 -17.886 -15.815 -23.874 1.00 72.03 C ATOM 308 C GLN A 20 -17.473 -15.465 -25.300 1.00 2.31 C ATOM 309 O GLN A 20 -16.299 -15.563 -25.660 1.00 14.24 O ATOM 310 CB GLN A 20 -18.123 -17.321 -23.755 1.00 20.52 C ATOM 311 CG GLN A 20 -18.821 -17.727 -22.467 1.00 74.31 C ATOM 312 CD GLN A 20 -18.273 -17.004 -21.253 1.00 13.21 C ATOM 313 OE1 GLN A 20 -17.193 -17.530 -20.687 1.00 44.14 O flip ATOM 314 NE2 GLN A 20 -18.815 -15.983 -20.827 1.00 73.13 N flip ATOM 0 H GLN A 20 -19.894 -15.671 -23.287 1.00 2.31 H new ATOM 0 HA GLN A 20 -17.079 -15.526 -23.200 1.00 72.03 H new ATOM 0 HB2 GLN A 20 -18.721 -17.654 -24.603 1.00 20.52 H new ATOM 0 HB3 GLN A 20 -17.165 -17.837 -23.818 1.00 20.52 H new ATOM 0 HG2 GLN A 20 -19.888 -17.522 -22.556 1.00 74.31 H new ATOM 0 HG3 GLN A 20 -18.714 -18.802 -22.324 1.00 74.31 H new ATOM 0 HE21 GLN A 20 -19.644 -15.613 -21.293 1.00 73.13 H new ATOM 0 HE22 GLN A 20 -18.435 -15.508 -20.008 1.00 73.13 H new ATOM 323 N LYS A 21 -18.445 -15.056 -26.109 1.00 25.12 N ATOM 324 CA LYS A 21 -18.183 -14.690 -27.496 1.00 1.13 C ATOM 325 C LYS A 21 -17.571 -13.296 -27.584 1.00 44.31 C ATOM 326 O LYS A 21 -16.657 -13.059 -28.374 1.00 11.33 O ATOM 327 CB LYS A 21 -19.477 -14.743 -28.311 1.00 64.05 C ATOM 328 CG LYS A 21 -20.577 -13.849 -27.766 1.00 22.10 C ATOM 329 CD LYS A 21 -20.657 -12.536 -28.527 1.00 33.31 C ATOM 330 CE LYS A 21 -21.618 -12.631 -29.702 1.00 33.30 C ATOM 331 NZ LYS A 21 -21.264 -11.675 -30.787 1.00 10.20 N ATOM 0 H LYS A 21 -19.422 -14.970 -25.828 1.00 25.12 H new ATOM 0 HA LYS A 21 -17.472 -15.406 -27.907 1.00 1.13 H new ATOM 0 HB2 LYS A 21 -19.261 -14.453 -29.339 1.00 64.05 H new ATOM 0 HB3 LYS A 21 -19.837 -15.772 -28.339 1.00 64.05 H new ATOM 0 HG2 LYS A 21 -21.534 -14.367 -27.831 1.00 22.10 H new ATOM 0 HG3 LYS A 21 -20.394 -13.648 -26.710 1.00 22.10 H new ATOM 0 HD2 LYS A 21 -20.981 -11.743 -27.853 1.00 33.31 H new ATOM 0 HD3 LYS A 21 -19.666 -12.262 -28.888 1.00 33.31 H new ATOM 0 HE2 LYS A 21 -21.610 -13.647 -30.096 1.00 33.30 H new ATOM 0 HE3 LYS A 21 -22.633 -12.431 -29.358 1.00 33.30 H new ATOM 0 HZ1 LYS A 21 -21.943 -11.771 -31.569 1.00 10.20 H new ATOM 0 HZ2 LYS A 21 -21.296 -10.703 -30.418 1.00 10.20 H new ATOM 0 HZ3 LYS A 21 -20.305 -11.882 -31.133 1.00 10.20 H new ATOM 345 N GLU A 22 -18.079 -12.378 -26.768 1.00 11.12 N ATOM 346 CA GLU A 22 -17.581 -11.008 -26.755 1.00 5.32 C ATOM 347 C GLU A 22 -16.162 -10.950 -26.194 1.00 75.11 C ATOM 348 O GLU A 22 -15.340 -10.148 -26.639 1.00 32.44 O ATOM 349 CB GLU A 22 -18.505 -10.113 -25.926 1.00 40.15 C ATOM 350 CG GLU A 22 -18.021 -8.677 -25.812 1.00 64.34 C ATOM 351 CD GLU A 22 -19.104 -7.733 -25.330 1.00 11.40 C ATOM 352 OE1 GLU A 22 -19.032 -7.292 -24.164 1.00 31.22 O ATOM 353 OE2 GLU A 22 -20.024 -7.434 -26.120 1.00 14.43 O ATOM 0 H GLU A 22 -18.835 -12.558 -26.107 1.00 11.12 H new ATOM 0 HA GLU A 22 -17.563 -10.646 -27.783 1.00 5.32 H new ATOM 0 HB2 GLU A 22 -19.499 -10.118 -26.373 1.00 40.15 H new ATOM 0 HB3 GLU A 22 -18.604 -10.535 -24.926 1.00 40.15 H new ATOM 0 HG2 GLU A 22 -17.176 -8.636 -25.125 1.00 64.34 H new ATOM 0 HG3 GLU A 22 -17.658 -8.342 -26.784 1.00 64.34 H new ATOM 360 N ILE A 23 -15.884 -11.805 -25.216 1.00 14.14 N ATOM 361 CA ILE A 23 -14.567 -11.852 -24.594 1.00 45.15 C ATOM 362 C ILE A 23 -13.498 -12.259 -25.603 1.00 44.41 C ATOM 363 O ILE A 23 -12.361 -11.790 -25.543 1.00 43.10 O ATOM 364 CB ILE A 23 -14.538 -12.834 -23.409 1.00 22.14 C ATOM 365 CG1 ILE A 23 -15.537 -12.400 -22.334 1.00 42.12 C ATOM 366 CG2 ILE A 23 -13.134 -12.924 -22.829 1.00 41.21 C ATOM 367 CD1 ILE A 23 -16.139 -13.556 -21.566 1.00 44.22 C ATOM 0 H ILE A 23 -16.554 -12.475 -24.837 1.00 14.14 H new ATOM 0 HA ILE A 23 -14.355 -10.848 -24.227 1.00 45.15 H new ATOM 0 HB ILE A 23 -14.826 -13.822 -23.768 1.00 22.14 H new ATOM 0 HG12 ILE A 23 -15.037 -11.731 -21.634 1.00 42.12 H new ATOM 0 HG13 ILE A 23 -16.339 -11.830 -22.803 1.00 42.12 H new ATOM 0 HG21 ILE A 23 -13.130 -13.622 -21.992 1.00 41.21 H new ATOM 0 HG22 ILE A 23 -12.445 -13.275 -23.597 1.00 41.21 H new ATOM 0 HG23 ILE A 23 -12.820 -11.940 -22.482 1.00 41.21 H new ATOM 0 HD11 ILE A 23 -16.837 -13.174 -20.821 1.00 44.22 H new ATOM 0 HD12 ILE A 23 -16.668 -14.215 -22.255 1.00 44.22 H new ATOM 0 HD13 ILE A 23 -15.346 -14.114 -21.067 1.00 44.22 H new ATOM 379 N LYS A 24 -13.870 -13.133 -26.532 1.00 33.05 N ATOM 380 CA LYS A 24 -12.946 -13.602 -27.557 1.00 3.12 C ATOM 381 C LYS A 24 -12.491 -12.450 -28.447 1.00 4.10 C ATOM 382 O LYS A 24 -11.325 -12.374 -28.835 1.00 24.40 O ATOM 383 CB LYS A 24 -13.605 -14.689 -28.409 1.00 1.04 C ATOM 384 CG LYS A 24 -13.506 -16.079 -27.804 1.00 14.21 C ATOM 385 CD LYS A 24 -14.354 -17.081 -28.569 1.00 34.21 C ATOM 386 CE LYS A 24 -13.568 -17.730 -29.698 1.00 21.04 C ATOM 387 NZ LYS A 24 -13.546 -16.879 -30.919 1.00 51.32 N ATOM 0 H LYS A 24 -14.807 -13.531 -26.596 1.00 33.05 H new ATOM 0 HA LYS A 24 -12.072 -14.020 -27.058 1.00 3.12 H new ATOM 0 HB2 LYS A 24 -14.656 -14.439 -28.553 1.00 1.04 H new ATOM 0 HB3 LYS A 24 -13.141 -14.697 -29.395 1.00 1.04 H new ATOM 0 HG2 LYS A 24 -12.466 -16.405 -27.806 1.00 14.21 H new ATOM 0 HG3 LYS A 24 -13.828 -16.048 -26.763 1.00 14.21 H new ATOM 0 HD2 LYS A 24 -14.714 -17.850 -27.886 1.00 34.21 H new ATOM 0 HD3 LYS A 24 -15.232 -16.580 -28.977 1.00 34.21 H new ATOM 0 HE2 LYS A 24 -12.546 -17.918 -29.368 1.00 21.04 H new ATOM 0 HE3 LYS A 24 -14.009 -18.698 -29.938 1.00 21.04 H new ATOM 0 HZ1 LYS A 24 -13.465 -17.483 -31.762 1.00 51.32 H new ATOM 0 HZ2 LYS A 24 -14.425 -16.326 -30.972 1.00 51.32 H new ATOM 0 HZ3 LYS A 24 -12.732 -16.233 -30.877 1.00 51.32 H new ATOM 401 N LYS A 25 -13.418 -11.553 -28.766 1.00 64.24 N ATOM 402 CA LYS A 25 -13.112 -10.403 -29.608 1.00 40.35 C ATOM 403 C LYS A 25 -12.198 -9.422 -28.880 1.00 33.52 C ATOM 404 O LYS A 25 -11.194 -8.971 -29.428 1.00 43.24 O ATOM 405 CB LYS A 25 -14.402 -9.696 -30.030 1.00 74.44 C ATOM 406 CG LYS A 25 -15.315 -10.557 -30.887 1.00 63.12 C ATOM 407 CD LYS A 25 -16.728 -10.001 -30.929 1.00 51.14 C ATOM 408 CE LYS A 25 -16.770 -8.636 -31.600 1.00 33.31 C ATOM 409 NZ LYS A 25 -18.161 -8.229 -31.942 1.00 72.32 N ATOM 0 H LYS A 25 -14.388 -11.601 -28.454 1.00 64.24 H new ATOM 0 HA LYS A 25 -12.594 -10.764 -30.497 1.00 40.35 H new ATOM 0 HB2 LYS A 25 -14.944 -9.383 -29.137 1.00 74.44 H new ATOM 0 HB3 LYS A 25 -14.147 -8.791 -30.581 1.00 74.44 H new ATOM 0 HG2 LYS A 25 -14.916 -10.616 -31.900 1.00 63.12 H new ATOM 0 HG3 LYS A 25 -15.334 -11.573 -30.492 1.00 63.12 H new ATOM 0 HD2 LYS A 25 -17.376 -10.692 -31.467 1.00 51.14 H new ATOM 0 HD3 LYS A 25 -17.119 -9.921 -29.915 1.00 51.14 H new ATOM 0 HE2 LYS A 25 -16.326 -7.892 -30.938 1.00 33.31 H new ATOM 0 HE3 LYS A 25 -16.165 -8.658 -32.506 1.00 33.31 H new ATOM 0 HZ1 LYS A 25 -18.147 -7.294 -32.397 1.00 72.32 H new ATOM 0 HZ2 LYS A 25 -18.576 -8.925 -32.594 1.00 72.32 H new ATOM 0 HZ3 LYS A 25 -18.733 -8.183 -31.074 1.00 72.32 H new ATOM 423 N ALA A 26 -12.553 -9.099 -27.641 1.00 34.04 N ATOM 424 CA ALA A 26 -11.763 -8.175 -26.836 1.00 73.40 C ATOM 425 C ALA A 26 -10.392 -8.761 -26.515 1.00 74.22 C ATOM 426 O ALA A 26 -9.412 -8.030 -26.372 1.00 52.03 O ATOM 427 CB ALA A 26 -12.504 -7.826 -25.553 1.00 64.54 C ATOM 0 H ALA A 26 -13.383 -9.463 -27.173 1.00 34.04 H new ATOM 0 HA ALA A 26 -11.613 -7.264 -27.415 1.00 73.40 H new ATOM 0 HB1 ALA A 26 -11.903 -7.135 -24.962 1.00 64.54 H new ATOM 0 HB2 ALA A 26 -13.457 -7.358 -25.799 1.00 64.54 H new ATOM 0 HB3 ALA A 26 -12.684 -8.734 -24.978 1.00 64.54 H new ATOM 433 N TYR A 27 -10.331 -10.083 -26.403 1.00 20.24 N ATOM 434 CA TYR A 27 -9.080 -10.767 -26.095 1.00 53.23 C ATOM 435 C TYR A 27 -8.132 -10.731 -27.290 1.00 72.41 C ATOM 436 O TYR A 27 -6.915 -10.647 -27.129 1.00 5.03 O ATOM 437 CB TYR A 27 -9.353 -12.216 -25.689 1.00 72.14 C ATOM 438 CG TYR A 27 -8.103 -13.059 -25.575 1.00 41.40 C ATOM 439 CD1 TYR A 27 -7.099 -12.729 -24.673 1.00 33.04 C ATOM 440 CD2 TYR A 27 -7.926 -14.185 -26.369 1.00 62.11 C ATOM 441 CE1 TYR A 27 -5.955 -13.496 -24.565 1.00 51.55 C ATOM 442 CE2 TYR A 27 -6.785 -14.958 -26.268 1.00 34.44 C ATOM 443 CZ TYR A 27 -5.803 -14.609 -25.365 1.00 21.22 C ATOM 444 OH TYR A 27 -4.665 -15.376 -25.260 1.00 72.21 O ATOM 0 H TYR A 27 -11.133 -10.703 -26.521 1.00 20.24 H new ATOM 0 HA TYR A 27 -8.606 -10.247 -25.262 1.00 53.23 H new ATOM 0 HB2 TYR A 27 -9.875 -12.224 -24.732 1.00 72.14 H new ATOM 0 HB3 TYR A 27 -10.022 -12.670 -26.421 1.00 72.14 H new ATOM 0 HD1 TYR A 27 -7.215 -11.858 -24.045 1.00 33.04 H new ATOM 0 HD2 TYR A 27 -8.693 -14.461 -27.077 1.00 62.11 H new ATOM 0 HE1 TYR A 27 -5.184 -13.226 -23.858 1.00 51.55 H new ATOM 0 HE2 TYR A 27 -6.663 -15.830 -26.893 1.00 34.44 H new ATOM 0 HH TYR A 27 -4.715 -16.123 -25.892 1.00 72.21 H new ATOM 454 N TYR A 28 -8.700 -10.796 -28.489 1.00 41.03 N ATOM 455 CA TYR A 28 -7.907 -10.773 -29.713 1.00 21.24 C ATOM 456 C TYR A 28 -7.364 -9.373 -29.984 1.00 72.50 C ATOM 457 O TYR A 28 -6.179 -9.200 -30.266 1.00 61.22 O ATOM 458 CB TYR A 28 -8.748 -11.245 -30.900 1.00 33.24 C ATOM 459 CG TYR A 28 -8.015 -11.193 -32.221 1.00 3.13 C ATOM 460 CD1 TYR A 28 -8.489 -10.415 -33.270 1.00 64.43 C ATOM 461 CD2 TYR A 28 -6.849 -11.921 -32.420 1.00 24.43 C ATOM 462 CE1 TYR A 28 -7.822 -10.365 -34.479 1.00 52.04 C ATOM 463 CE2 TYR A 28 -6.175 -11.876 -33.625 1.00 2.22 C ATOM 464 CZ TYR A 28 -6.666 -11.096 -34.652 1.00 24.54 C ATOM 465 OH TYR A 28 -5.998 -11.050 -35.854 1.00 51.40 O ATOM 0 H TYR A 28 -9.706 -10.865 -28.640 1.00 41.03 H new ATOM 0 HA TYR A 28 -7.064 -11.451 -29.582 1.00 21.24 H new ATOM 0 HB2 TYR A 28 -9.077 -12.268 -30.717 1.00 33.24 H new ATOM 0 HB3 TYR A 28 -9.644 -10.629 -30.967 1.00 33.24 H new ATOM 0 HD1 TYR A 28 -9.394 -9.840 -33.138 1.00 64.43 H new ATOM 0 HD2 TYR A 28 -6.462 -12.533 -31.619 1.00 24.43 H new ATOM 0 HE1 TYR A 28 -8.204 -9.756 -35.285 1.00 52.04 H new ATOM 0 HE2 TYR A 28 -5.269 -12.448 -33.762 1.00 2.22 H new ATOM 0 HH TYR A 28 -5.203 -11.621 -35.808 1.00 51.40 H new ATOM 475 N GLN A 29 -8.241 -8.379 -29.896 1.00 10.43 N ATOM 476 CA GLN A 29 -7.851 -6.994 -30.132 1.00 4.33 C ATOM 477 C GLN A 29 -6.784 -6.551 -29.135 1.00 71.42 C ATOM 478 O GLN A 29 -5.905 -5.754 -29.464 1.00 24.10 O ATOM 479 CB GLN A 29 -9.069 -6.074 -30.034 1.00 73.41 C ATOM 480 CG GLN A 29 -9.516 -5.807 -28.606 1.00 55.51 C ATOM 481 CD GLN A 29 -10.634 -4.785 -28.526 1.00 43.13 C ATOM 482 OE1 GLN A 29 -11.686 -5.044 -27.942 1.00 54.53 O ATOM 483 NE2 GLN A 29 -10.410 -3.616 -29.114 1.00 51.45 N ATOM 0 H GLN A 29 -9.226 -8.506 -29.663 1.00 10.43 H new ATOM 0 HA GLN A 29 -7.434 -6.928 -31.137 1.00 4.33 H new ATOM 0 HB2 GLN A 29 -8.837 -5.125 -30.517 1.00 73.41 H new ATOM 0 HB3 GLN A 29 -9.896 -6.519 -30.588 1.00 73.41 H new ATOM 0 HG2 GLN A 29 -9.849 -6.741 -28.153 1.00 55.51 H new ATOM 0 HG3 GLN A 29 -8.665 -5.456 -28.023 1.00 55.51 H new ATOM 0 HE21 GLN A 29 -9.523 -3.445 -29.587 1.00 51.45 H new ATOM 0 HE22 GLN A 29 -11.125 -2.889 -29.093 1.00 51.45 H new ATOM 492 N LEU A 30 -6.868 -7.073 -27.916 1.00 62.14 N ATOM 493 CA LEU A 30 -5.910 -6.732 -26.871 1.00 4.14 C ATOM 494 C LEU A 30 -4.559 -7.390 -27.134 1.00 31.34 C ATOM 495 O LEU A 30 -3.511 -6.771 -26.957 1.00 44.20 O ATOM 496 CB LEU A 30 -6.442 -7.163 -25.503 1.00 54.00 C ATOM 497 CG LEU A 30 -6.847 -6.034 -24.554 1.00 23.30 C ATOM 498 CD1 LEU A 30 -7.766 -5.048 -25.258 1.00 64.22 C ATOM 499 CD2 LEU A 30 -7.519 -6.598 -23.311 1.00 22.14 C ATOM 0 H LEU A 30 -7.590 -7.734 -27.627 1.00 62.14 H new ATOM 0 HA LEU A 30 -5.774 -5.651 -26.877 1.00 4.14 H new ATOM 0 HB2 LEU A 30 -7.307 -7.808 -25.659 1.00 54.00 H new ATOM 0 HB3 LEU A 30 -5.679 -7.767 -25.012 1.00 54.00 H new ATOM 0 HG LEU A 30 -5.946 -5.503 -24.247 1.00 23.30 H new ATOM 0 HD11 LEU A 30 -8.043 -4.252 -24.567 1.00 64.22 H new ATOM 0 HD12 LEU A 30 -7.250 -4.619 -26.117 1.00 64.22 H new ATOM 0 HD13 LEU A 30 -8.664 -5.565 -25.595 1.00 64.22 H new ATOM 0 HD21 LEU A 30 -7.800 -5.781 -22.647 1.00 22.14 H new ATOM 0 HD22 LEU A 30 -8.411 -7.154 -23.600 1.00 22.14 H new ATOM 0 HD23 LEU A 30 -6.828 -7.264 -22.794 1.00 22.14 H new ATOM 511 N ALA A 31 -4.593 -8.649 -27.559 1.00 30.15 N ATOM 512 CA ALA A 31 -3.372 -9.390 -27.850 1.00 71.11 C ATOM 513 C ALA A 31 -2.533 -8.673 -28.903 1.00 32.43 C ATOM 514 O ALA A 31 -1.312 -8.580 -28.780 1.00 3.40 O ATOM 515 CB ALA A 31 -3.708 -10.801 -28.311 1.00 12.41 C ATOM 0 H ALA A 31 -5.453 -9.177 -27.709 1.00 30.15 H new ATOM 0 HA ALA A 31 -2.785 -9.449 -26.934 1.00 71.11 H new ATOM 0 HB1 ALA A 31 -2.787 -11.343 -28.525 1.00 12.41 H new ATOM 0 HB2 ALA A 31 -4.260 -11.319 -27.526 1.00 12.41 H new ATOM 0 HB3 ALA A 31 -4.319 -10.753 -29.213 1.00 12.41 H new ATOM 521 N LYS A 32 -3.196 -8.169 -29.938 1.00 61.42 N ATOM 522 CA LYS A 32 -2.512 -7.460 -31.013 1.00 71.31 C ATOM 523 C LYS A 32 -1.747 -6.257 -30.471 1.00 21.42 C ATOM 524 O LYS A 32 -0.807 -5.771 -31.100 1.00 51.00 O ATOM 525 CB LYS A 32 -3.519 -7.003 -32.071 1.00 64.03 C ATOM 526 CG LYS A 32 -4.034 -8.131 -32.948 1.00 60.02 C ATOM 527 CD LYS A 32 -5.489 -7.920 -33.331 1.00 12.40 C ATOM 528 CE LYS A 32 -5.678 -6.629 -34.114 1.00 23.30 C ATOM 529 NZ LYS A 32 -4.795 -6.573 -35.312 1.00 20.50 N ATOM 0 H LYS A 32 -4.207 -8.238 -30.055 1.00 61.42 H new ATOM 0 HA LYS A 32 -1.799 -8.145 -31.471 1.00 71.31 H new ATOM 0 HB2 LYS A 32 -4.364 -6.526 -31.574 1.00 64.03 H new ATOM 0 HB3 LYS A 32 -3.052 -6.247 -32.703 1.00 64.03 H new ATOM 0 HG2 LYS A 32 -3.426 -8.199 -33.850 1.00 60.02 H new ATOM 0 HG3 LYS A 32 -3.929 -9.079 -32.421 1.00 60.02 H new ATOM 0 HD2 LYS A 32 -5.835 -8.763 -33.929 1.00 12.40 H new ATOM 0 HD3 LYS A 32 -6.103 -7.894 -32.431 1.00 12.40 H new ATOM 0 HE2 LYS A 32 -6.719 -6.542 -34.426 1.00 23.30 H new ATOM 0 HE3 LYS A 32 -5.467 -5.778 -33.467 1.00 23.30 H new ATOM 0 HZ1 LYS A 32 -5.091 -5.787 -35.925 1.00 20.50 H new ATOM 0 HZ2 LYS A 32 -3.810 -6.426 -35.011 1.00 20.50 H new ATOM 0 HZ3 LYS A 32 -4.866 -7.468 -35.838 1.00 20.50 H new ATOM 543 N LYS A 33 -2.154 -5.782 -29.299 1.00 32.34 N ATOM 544 CA LYS A 33 -1.506 -4.638 -28.669 1.00 62.02 C ATOM 545 C LYS A 33 -0.176 -5.044 -28.041 1.00 14.32 C ATOM 546 O LYS A 33 0.792 -4.284 -28.069 1.00 61.03 O ATOM 547 CB LYS A 33 -2.421 -4.029 -27.604 1.00 62.33 C ATOM 548 CG LYS A 33 -3.854 -3.839 -28.070 1.00 41.03 C ATOM 549 CD LYS A 33 -4.584 -2.811 -27.222 1.00 72.41 C ATOM 550 CE LYS A 33 -4.429 -1.409 -27.789 1.00 42.42 C ATOM 551 NZ LYS A 33 -5.017 -1.293 -29.152 1.00 72.13 N ATOM 0 H LYS A 33 -2.931 -6.172 -28.766 1.00 32.34 H new ATOM 0 HA LYS A 33 -1.311 -3.893 -29.440 1.00 62.02 H new ATOM 0 HB2 LYS A 33 -2.416 -4.671 -26.723 1.00 62.33 H new ATOM 0 HB3 LYS A 33 -2.016 -3.064 -27.298 1.00 62.33 H new ATOM 0 HG2 LYS A 33 -3.859 -3.522 -29.113 1.00 41.03 H new ATOM 0 HG3 LYS A 33 -4.382 -4.791 -28.024 1.00 41.03 H new ATOM 0 HD2 LYS A 33 -5.642 -3.068 -27.168 1.00 72.41 H new ATOM 0 HD3 LYS A 33 -4.197 -2.837 -26.203 1.00 72.41 H new ATOM 0 HE2 LYS A 33 -4.911 -0.693 -27.124 1.00 42.42 H new ATOM 0 HE3 LYS A 33 -3.372 -1.147 -27.826 1.00 42.42 H new ATOM 0 HZ1 LYS A 33 -5.326 -0.313 -29.315 1.00 72.13 H new ATOM 0 HZ2 LYS A 33 -4.303 -1.553 -29.862 1.00 72.13 H new ATOM 0 HZ3 LYS A 33 -5.834 -1.932 -29.233 1.00 72.13 H new ATOM 786 N LYS A 48 3.092 -8.212 -19.811 1.00 21.44 N ATOM 787 CA LYS A 48 1.761 -7.617 -19.813 1.00 42.01 C ATOM 788 C LYS A 48 0.781 -8.479 -20.602 1.00 71.11 C ATOM 789 O LYS A 48 -0.384 -8.614 -20.227 1.00 50.51 O ATOM 790 CB LYS A 48 1.812 -6.208 -20.409 1.00 35.13 C ATOM 791 CG LYS A 48 2.904 -5.335 -19.815 1.00 72.50 C ATOM 792 CD LYS A 48 2.632 -5.018 -18.354 1.00 72.41 C ATOM 793 CE LYS A 48 3.917 -4.707 -17.603 1.00 21.13 C ATOM 794 NZ LYS A 48 4.521 -5.930 -17.006 1.00 33.54 N ATOM 0 HA LYS A 48 1.415 -7.557 -18.781 1.00 42.01 H new ATOM 0 HB2 LYS A 48 1.964 -6.283 -21.486 1.00 35.13 H new ATOM 0 HB3 LYS A 48 0.848 -5.723 -20.257 1.00 35.13 H new ATOM 0 HG2 LYS A 48 3.865 -5.841 -19.906 1.00 72.50 H new ATOM 0 HG3 LYS A 48 2.978 -4.407 -20.382 1.00 72.50 H new ATOM 0 HD2 LYS A 48 1.954 -4.167 -18.285 1.00 72.41 H new ATOM 0 HD3 LYS A 48 2.130 -5.864 -17.884 1.00 72.41 H new ATOM 0 HE2 LYS A 48 4.632 -4.244 -18.283 1.00 21.13 H new ATOM 0 HE3 LYS A 48 3.711 -3.982 -16.815 1.00 21.13 H new ATOM 0 HZ1 LYS A 48 5.395 -5.675 -16.503 1.00 33.54 H new ATOM 0 HZ2 LYS A 48 3.849 -6.358 -16.338 1.00 33.54 H new ATOM 0 HZ3 LYS A 48 4.742 -6.612 -17.760 1.00 33.54 H new ATOM 808 N PHE A 49 1.260 -9.062 -21.696 1.00 24.43 N ATOM 809 CA PHE A 49 0.426 -9.912 -22.537 1.00 62.42 C ATOM 810 C PHE A 49 -0.081 -11.121 -21.756 1.00 12.00 C ATOM 811 O PHE A 49 -1.182 -11.615 -22.001 1.00 44.14 O ATOM 812 CB PHE A 49 1.211 -10.378 -23.766 1.00 12.44 C ATOM 813 CG PHE A 49 0.510 -11.446 -24.555 1.00 50.13 C ATOM 814 CD1 PHE A 49 -0.324 -11.111 -25.610 1.00 34.42 C ATOM 815 CD2 PHE A 49 0.686 -12.784 -24.244 1.00 31.44 C ATOM 816 CE1 PHE A 49 -0.971 -12.092 -26.337 1.00 70.45 C ATOM 817 CE2 PHE A 49 0.042 -13.770 -24.968 1.00 41.11 C ATOM 818 CZ PHE A 49 -0.787 -13.423 -26.017 1.00 64.31 C ATOM 0 H PHE A 49 2.222 -8.961 -22.021 1.00 24.43 H new ATOM 0 HA PHE A 49 -0.433 -9.326 -22.863 1.00 62.42 H new ATOM 0 HB2 PHE A 49 1.397 -9.522 -24.414 1.00 12.44 H new ATOM 0 HB3 PHE A 49 2.183 -10.753 -23.446 1.00 12.44 H new ATOM 0 HD1 PHE A 49 -0.470 -10.072 -25.867 1.00 34.42 H new ATOM 0 HD2 PHE A 49 1.334 -13.061 -23.426 1.00 31.44 H new ATOM 0 HE1 PHE A 49 -1.620 -11.818 -27.155 1.00 70.45 H new ATOM 0 HE2 PHE A 49 0.187 -14.810 -24.714 1.00 41.11 H new ATOM 0 HZ PHE A 49 -1.290 -14.191 -26.586 1.00 64.31 H new ATOM 828 N SER A 50 0.730 -11.592 -20.814 1.00 71.43 N ATOM 829 CA SER A 50 0.366 -12.746 -19.999 1.00 43.35 C ATOM 830 C SER A 50 -0.918 -12.478 -19.221 1.00 11.51 C ATOM 831 O SER A 50 -1.708 -13.388 -18.975 1.00 31.43 O ATOM 832 CB SER A 50 1.500 -13.091 -19.032 1.00 31.01 C ATOM 833 OG SER A 50 1.462 -14.460 -18.670 1.00 32.53 O ATOM 0 H SER A 50 1.643 -11.193 -20.596 1.00 71.43 H new ATOM 0 HA SER A 50 0.196 -13.592 -20.665 1.00 43.35 H new ATOM 0 HB2 SER A 50 2.460 -12.860 -19.495 1.00 31.01 H new ATOM 0 HB3 SER A 50 1.421 -12.473 -18.138 1.00 31.01 H new ATOM 0 HG SER A 50 2.198 -14.656 -18.053 1.00 32.53 H new ATOM 839 N GLN A 51 -1.118 -11.221 -18.837 1.00 33.03 N ATOM 840 CA GLN A 51 -2.306 -10.832 -18.085 1.00 60.54 C ATOM 841 C GLN A 51 -3.563 -10.995 -18.933 1.00 15.12 C ATOM 842 O GLN A 51 -4.651 -11.241 -18.409 1.00 23.14 O ATOM 843 CB GLN A 51 -2.182 -9.385 -17.608 1.00 10.43 C ATOM 844 CG GLN A 51 -1.163 -9.196 -16.496 1.00 2.13 C ATOM 845 CD GLN A 51 -1.711 -9.569 -15.132 1.00 64.54 C ATOM 846 OE1 GLN A 51 -1.268 -10.540 -14.517 1.00 43.22 O ATOM 847 NE2 GLN A 51 -2.680 -8.799 -14.652 1.00 62.11 N ATOM 0 H GLN A 51 -0.474 -10.455 -19.034 1.00 33.03 H new ATOM 0 HA GLN A 51 -2.387 -11.487 -17.217 1.00 60.54 H new ATOM 0 HB2 GLN A 51 -1.906 -8.755 -18.453 1.00 10.43 H new ATOM 0 HB3 GLN A 51 -3.156 -9.041 -17.259 1.00 10.43 H new ATOM 0 HG2 GLN A 51 -0.283 -9.803 -16.708 1.00 2.13 H new ATOM 0 HG3 GLN A 51 -0.837 -8.156 -16.480 1.00 2.13 H new ATOM 0 HE21 GLN A 51 -3.017 -8.004 -15.196 1.00 62.11 H new ATOM 0 HE22 GLN A 51 -3.088 -9.002 -13.739 1.00 62.11 H new ATOM 856 N LEU A 52 -3.409 -10.855 -20.245 1.00 23.32 N ATOM 857 CA LEU A 52 -4.532 -10.986 -21.166 1.00 33.31 C ATOM 858 C LEU A 52 -5.005 -12.434 -21.246 1.00 33.25 C ATOM 859 O LEU A 52 -6.190 -12.721 -21.074 1.00 24.12 O ATOM 860 CB LEU A 52 -4.137 -10.490 -22.558 1.00 1.33 C ATOM 861 CG LEU A 52 -3.504 -9.099 -22.619 1.00 52.04 C ATOM 862 CD1 LEU A 52 -2.752 -8.912 -23.928 1.00 22.52 C ATOM 863 CD2 LEU A 52 -4.567 -8.022 -22.455 1.00 4.02 C ATOM 0 H LEU A 52 -2.517 -10.651 -20.695 1.00 23.32 H new ATOM 0 HA LEU A 52 -5.352 -10.375 -20.788 1.00 33.31 H new ATOM 0 HB2 LEU A 52 -3.438 -11.205 -22.992 1.00 1.33 H new ATOM 0 HB3 LEU A 52 -5.026 -10.491 -23.188 1.00 1.33 H new ATOM 0 HG LEU A 52 -2.793 -9.008 -21.798 1.00 52.04 H new ATOM 0 HD11 LEU A 52 -2.308 -7.917 -23.954 1.00 22.52 H new ATOM 0 HD12 LEU A 52 -1.965 -9.662 -24.006 1.00 22.52 H new ATOM 0 HD13 LEU A 52 -3.443 -9.023 -24.764 1.00 22.52 H new ATOM 0 HD21 LEU A 52 -4.099 -7.039 -22.501 1.00 4.02 H new ATOM 0 HD22 LEU A 52 -5.302 -8.112 -23.255 1.00 4.02 H new ATOM 0 HD23 LEU A 52 -5.062 -8.143 -21.492 1.00 4.02 H new ATOM 875 N ALA A 53 -4.071 -13.343 -21.505 1.00 61.01 N ATOM 876 CA ALA A 53 -4.391 -14.762 -21.603 1.00 14.40 C ATOM 877 C ALA A 53 -4.816 -15.323 -20.250 1.00 61.13 C ATOM 878 O ALA A 53 -5.667 -16.209 -20.176 1.00 3.03 O ATOM 879 CB ALA A 53 -3.200 -15.535 -22.147 1.00 62.54 C ATOM 0 H ALA A 53 -3.086 -13.122 -21.651 1.00 61.01 H new ATOM 0 HA ALA A 53 -5.228 -14.874 -22.292 1.00 14.40 H new ATOM 0 HB1 ALA A 53 -3.453 -16.593 -22.215 1.00 62.54 H new ATOM 0 HB2 ALA A 53 -2.944 -15.159 -23.137 1.00 62.54 H new ATOM 0 HB3 ALA A 53 -2.348 -15.408 -21.479 1.00 62.54 H new ATOM 885 N GLU A 54 -4.217 -14.802 -19.184 1.00 20.10 N ATOM 886 CA GLU A 54 -4.533 -15.254 -17.834 1.00 52.11 C ATOM 887 C GLU A 54 -5.982 -14.934 -17.479 1.00 34.12 C ATOM 888 O GLU A 54 -6.723 -15.799 -17.012 1.00 13.42 O ATOM 889 CB GLU A 54 -3.592 -14.600 -16.820 1.00 61.40 C ATOM 890 CG GLU A 54 -2.313 -15.386 -16.583 1.00 11.15 C ATOM 891 CD GLU A 54 -2.572 -16.757 -15.989 1.00 13.12 C ATOM 892 OE1 GLU A 54 -3.734 -17.035 -15.625 1.00 73.22 O ATOM 893 OE2 GLU A 54 -1.614 -17.551 -15.888 1.00 31.05 O ATOM 0 H GLU A 54 -3.511 -14.067 -19.229 1.00 20.10 H new ATOM 0 HA GLU A 54 -4.398 -16.335 -17.799 1.00 52.11 H new ATOM 0 HB2 GLU A 54 -3.335 -13.600 -17.168 1.00 61.40 H new ATOM 0 HB3 GLU A 54 -4.117 -14.482 -15.872 1.00 61.40 H new ATOM 0 HG2 GLU A 54 -1.780 -15.498 -17.527 1.00 11.15 H new ATOM 0 HG3 GLU A 54 -1.663 -14.822 -15.915 1.00 11.15 H new ATOM 900 N ALA A 55 -6.379 -13.686 -17.703 1.00 42.44 N ATOM 901 CA ALA A 55 -7.739 -13.251 -17.409 1.00 23.32 C ATOM 902 C ALA A 55 -8.732 -13.849 -18.399 1.00 55.11 C ATOM 903 O ALA A 55 -9.857 -14.192 -18.034 1.00 54.51 O ATOM 904 CB ALA A 55 -7.823 -11.732 -17.425 1.00 62.25 C ATOM 0 H ALA A 55 -5.778 -12.957 -18.088 1.00 42.44 H new ATOM 0 HA ALA A 55 -8.001 -13.607 -16.413 1.00 23.32 H new ATOM 0 HB1 ALA A 55 -8.844 -11.422 -17.204 1.00 62.25 H new ATOM 0 HB2 ALA A 55 -7.148 -11.322 -16.673 1.00 62.25 H new ATOM 0 HB3 ALA A 55 -7.537 -11.362 -18.409 1.00 62.25 H new ATOM 910 N TYR A 56 -8.311 -13.971 -19.653 1.00 4.53 N ATOM 911 CA TYR A 56 -9.165 -14.524 -20.696 1.00 52.04 C ATOM 912 C TYR A 56 -9.418 -16.010 -20.462 1.00 62.35 C ATOM 913 O TYR A 56 -10.441 -16.550 -20.881 1.00 52.14 O ATOM 914 CB TYR A 56 -8.528 -14.314 -22.071 1.00 53.31 C ATOM 915 CG TYR A 56 -9.156 -15.149 -23.164 1.00 31.54 C ATOM 916 CD1 TYR A 56 -10.258 -14.687 -23.872 1.00 74.11 C ATOM 917 CD2 TYR A 56 -8.648 -16.402 -23.487 1.00 10.44 C ATOM 918 CE1 TYR A 56 -10.836 -15.447 -24.871 1.00 21.43 C ATOM 919 CE2 TYR A 56 -9.218 -17.168 -24.485 1.00 31.05 C ATOM 920 CZ TYR A 56 -10.312 -16.687 -25.173 1.00 41.25 C ATOM 921 OH TYR A 56 -10.883 -17.448 -26.167 1.00 55.12 O ATOM 0 H TYR A 56 -7.382 -13.694 -19.972 1.00 4.53 H new ATOM 0 HA TYR A 56 -10.121 -14.001 -20.662 1.00 52.04 H new ATOM 0 HB2 TYR A 56 -8.605 -13.261 -22.341 1.00 53.31 H new ATOM 0 HB3 TYR A 56 -7.466 -14.551 -22.010 1.00 53.31 H new ATOM 0 HD1 TYR A 56 -10.670 -13.717 -23.638 1.00 74.11 H new ATOM 0 HD2 TYR A 56 -7.793 -16.783 -22.948 1.00 10.44 H new ATOM 0 HE1 TYR A 56 -11.693 -15.073 -25.412 1.00 21.43 H new ATOM 0 HE2 TYR A 56 -8.809 -18.138 -24.725 1.00 31.05 H new ATOM 0 HH TYR A 56 -10.394 -18.293 -26.254 1.00 55.12 H new ATOM 931 N GLU A 57 -8.477 -16.665 -19.790 1.00 22.15 N ATOM 932 CA GLU A 57 -8.597 -18.089 -19.500 1.00 22.15 C ATOM 933 C GLU A 57 -9.852 -18.373 -18.679 1.00 62.42 C ATOM 934 O GLU A 57 -10.628 -19.272 -19.003 1.00 32.44 O ATOM 935 CB GLU A 57 -7.360 -18.585 -18.748 1.00 62.31 C ATOM 936 CG GLU A 57 -6.276 -19.139 -19.658 1.00 52.11 C ATOM 937 CD GLU A 57 -4.896 -19.061 -19.036 1.00 24.03 C ATOM 938 OE1 GLU A 57 -3.952 -18.641 -19.738 1.00 22.42 O ATOM 939 OE2 GLU A 57 -4.759 -19.420 -17.847 1.00 42.45 O ATOM 0 H GLU A 57 -7.624 -16.233 -19.436 1.00 22.15 H new ATOM 0 HA GLU A 57 -8.675 -18.621 -20.448 1.00 22.15 H new ATOM 0 HB2 GLU A 57 -6.947 -17.763 -18.163 1.00 62.31 H new ATOM 0 HB3 GLU A 57 -7.661 -19.359 -18.042 1.00 62.31 H new ATOM 0 HG2 GLU A 57 -6.504 -20.178 -19.898 1.00 52.11 H new ATOM 0 HG3 GLU A 57 -6.279 -18.587 -20.598 1.00 52.11 H new ATOM 946 N VAL A 58 -10.044 -17.601 -17.615 1.00 5.52 N ATOM 947 CA VAL A 58 -11.204 -17.768 -16.748 1.00 5.25 C ATOM 948 C VAL A 58 -12.466 -17.225 -17.408 1.00 31.42 C ATOM 949 O VAL A 58 -13.528 -17.846 -17.345 1.00 15.31 O ATOM 950 CB VAL A 58 -11.000 -17.060 -15.395 1.00 1.40 C ATOM 951 CG1 VAL A 58 -12.179 -17.324 -14.471 1.00 2.11 C ATOM 952 CG2 VAL A 58 -9.696 -17.507 -14.751 1.00 13.41 C ATOM 0 H VAL A 58 -9.411 -16.853 -17.332 1.00 5.52 H new ATOM 0 HA VAL A 58 -11.319 -18.838 -16.576 1.00 5.25 H new ATOM 0 HB VAL A 58 -10.941 -15.986 -15.572 1.00 1.40 H new ATOM 0 HG11 VAL A 58 -12.017 -16.816 -13.520 1.00 2.11 H new ATOM 0 HG12 VAL A 58 -13.093 -16.949 -14.932 1.00 2.11 H new ATOM 0 HG13 VAL A 58 -12.273 -18.396 -14.298 1.00 2.11 H new ATOM 0 HG21 VAL A 58 -9.568 -16.997 -13.796 1.00 13.41 H new ATOM 0 HG22 VAL A 58 -9.722 -18.584 -14.586 1.00 13.41 H new ATOM 0 HG23 VAL A 58 -8.862 -17.261 -15.408 1.00 13.41 H new ATOM 962 N LEU A 59 -12.343 -16.064 -18.041 1.00 75.45 N ATOM 963 CA LEU A 59 -13.475 -15.437 -18.715 1.00 72.22 C ATOM 964 C LEU A 59 -13.876 -16.228 -19.957 1.00 11.44 C ATOM 965 O LEU A 59 -14.928 -15.983 -20.548 1.00 45.50 O ATOM 966 CB LEU A 59 -13.130 -13.998 -19.102 1.00 61.14 C ATOM 967 CG LEU A 59 -13.709 -12.904 -18.204 1.00 62.25 C ATOM 968 CD1 LEU A 59 -13.379 -13.181 -16.746 1.00 1.31 C ATOM 969 CD2 LEU A 59 -13.184 -11.538 -18.622 1.00 70.21 C ATOM 0 H LEU A 59 -11.471 -15.538 -18.102 1.00 75.45 H new ATOM 0 HA LEU A 59 -14.318 -15.429 -18.024 1.00 72.22 H new ATOM 0 HB2 LEU A 59 -12.045 -13.896 -19.112 1.00 61.14 H new ATOM 0 HB3 LEU A 59 -13.475 -13.824 -20.121 1.00 61.14 H new ATOM 0 HG LEU A 59 -14.793 -12.904 -18.316 1.00 62.25 H new ATOM 0 HD11 LEU A 59 -13.799 -12.392 -16.122 1.00 1.31 H new ATOM 0 HD12 LEU A 59 -13.804 -14.141 -16.453 1.00 1.31 H new ATOM 0 HD13 LEU A 59 -12.297 -13.209 -16.617 1.00 1.31 H new ATOM 0 HD21 LEU A 59 -13.606 -10.771 -17.972 1.00 70.21 H new ATOM 0 HD22 LEU A 59 -12.097 -11.525 -18.540 1.00 70.21 H new ATOM 0 HD23 LEU A 59 -13.472 -11.338 -19.654 1.00 70.21 H new ATOM 981 N SER A 60 -13.032 -17.178 -20.345 1.00 31.22 N ATOM 982 CA SER A 60 -13.298 -18.004 -21.517 1.00 25.22 C ATOM 983 C SER A 60 -14.400 -19.019 -21.228 1.00 42.31 C ATOM 984 O SER A 60 -14.924 -19.659 -22.140 1.00 10.41 O ATOM 985 CB SER A 60 -12.024 -18.729 -21.955 1.00 64.03 C ATOM 986 OG SER A 60 -12.313 -19.739 -22.906 1.00 31.42 O ATOM 0 H SER A 60 -12.158 -17.395 -19.865 1.00 31.22 H new ATOM 0 HA SER A 60 -13.632 -17.351 -22.323 1.00 25.22 H new ATOM 0 HB2 SER A 60 -11.323 -18.012 -22.383 1.00 64.03 H new ATOM 0 HB3 SER A 60 -11.537 -19.172 -21.086 1.00 64.03 H new ATOM 0 HG SER A 60 -13.281 -19.888 -22.941 1.00 31.42 H new ATOM 992 N ASP A 61 -14.746 -19.160 -19.953 1.00 42.14 N ATOM 993 CA ASP A 61 -15.786 -20.096 -19.543 1.00 13.53 C ATOM 994 C ASP A 61 -16.706 -19.463 -18.503 1.00 73.01 C ATOM 995 O ASP A 61 -16.244 -18.927 -17.497 1.00 13.24 O ATOM 996 CB ASP A 61 -15.160 -21.372 -18.979 1.00 35.13 C ATOM 997 CG ASP A 61 -15.978 -22.608 -19.298 1.00 53.14 C ATOM 998 OD1 ASP A 61 -16.430 -22.737 -20.455 1.00 54.21 O ATOM 999 OD2 ASP A 61 -16.167 -23.446 -18.391 1.00 51.25 O ATOM 0 H ASP A 61 -14.322 -18.638 -19.186 1.00 42.14 H new ATOM 0 HA ASP A 61 -16.380 -20.350 -20.421 1.00 13.53 H new ATOM 0 HB2 ASP A 61 -14.155 -21.490 -19.385 1.00 35.13 H new ATOM 0 HB3 ASP A 61 -15.058 -21.276 -17.898 1.00 35.13 H new ATOM 1004 N GLU A 62 -18.010 -19.529 -18.755 1.00 61.33 N ATOM 1005 CA GLU A 62 -18.994 -18.961 -17.841 1.00 61.04 C ATOM 1006 C GLU A 62 -18.825 -19.532 -16.436 1.00 73.45 C ATOM 1007 O GLU A 62 -18.887 -18.804 -15.446 1.00 43.52 O ATOM 1008 CB GLU A 62 -20.411 -19.235 -18.348 1.00 54.34 C ATOM 1009 CG GLU A 62 -20.652 -18.756 -19.770 1.00 72.23 C ATOM 1010 CD GLU A 62 -22.088 -18.951 -20.216 1.00 54.10 C ATOM 1011 OE1 GLU A 62 -22.503 -18.284 -21.188 1.00 21.44 O ATOM 1012 OE2 GLU A 62 -22.798 -19.769 -19.594 1.00 4.32 O ATOM 0 H GLU A 62 -18.409 -19.970 -19.584 1.00 61.33 H new ATOM 0 HA GLU A 62 -18.833 -17.884 -17.798 1.00 61.04 H new ATOM 0 HB2 GLU A 62 -20.605 -20.306 -18.297 1.00 54.34 H new ATOM 0 HB3 GLU A 62 -21.126 -18.749 -17.684 1.00 54.34 H new ATOM 0 HG2 GLU A 62 -20.393 -17.700 -19.842 1.00 72.23 H new ATOM 0 HG3 GLU A 62 -19.989 -19.294 -20.448 1.00 72.23 H new ATOM 1019 N VAL A 63 -18.613 -20.842 -16.358 1.00 70.32 N ATOM 1020 CA VAL A 63 -18.435 -21.513 -15.076 1.00 10.43 C ATOM 1021 C VAL A 63 -17.188 -21.006 -14.359 1.00 54.02 C ATOM 1022 O VAL A 63 -17.232 -20.672 -13.175 1.00 24.11 O ATOM 1023 CB VAL A 63 -18.329 -23.039 -15.250 1.00 63.24 C ATOM 1024 CG1 VAL A 63 -18.344 -23.734 -13.897 1.00 44.13 C ATOM 1025 CG2 VAL A 63 -19.454 -23.553 -16.135 1.00 70.54 C ATOM 0 H VAL A 63 -18.560 -21.460 -17.168 1.00 70.32 H new ATOM 0 HA VAL A 63 -19.315 -21.284 -14.475 1.00 10.43 H new ATOM 0 HB VAL A 63 -17.381 -23.266 -15.737 1.00 63.24 H new ATOM 0 HG11 VAL A 63 -18.268 -24.812 -14.041 1.00 44.13 H new ATOM 0 HG12 VAL A 63 -17.500 -23.387 -13.300 1.00 44.13 H new ATOM 0 HG13 VAL A 63 -19.274 -23.502 -13.379 1.00 44.13 H new ATOM 0 HG21 VAL A 63 -19.364 -24.633 -16.247 1.00 70.54 H new ATOM 0 HG22 VAL A 63 -20.414 -23.315 -15.678 1.00 70.54 H new ATOM 0 HG23 VAL A 63 -19.391 -23.080 -17.115 1.00 70.54 H new ATOM 1035 N LYS A 64 -16.077 -20.950 -15.085 1.00 61.52 N ATOM 1036 CA LYS A 64 -14.816 -20.483 -14.521 1.00 14.31 C ATOM 1037 C LYS A 64 -14.928 -19.030 -14.070 1.00 40.22 C ATOM 1038 O LYS A 64 -14.521 -18.681 -12.962 1.00 43.10 O ATOM 1039 CB LYS A 64 -13.691 -20.624 -15.548 1.00 24.33 C ATOM 1040 CG LYS A 64 -13.274 -22.063 -15.800 1.00 34.25 C ATOM 1041 CD LYS A 64 -11.810 -22.159 -16.195 1.00 33.25 C ATOM 1042 CE LYS A 64 -10.895 -21.819 -15.028 1.00 41.25 C ATOM 1043 NZ LYS A 64 -9.471 -22.136 -15.330 1.00 34.02 N ATOM 0 H LYS A 64 -16.024 -21.223 -16.066 1.00 61.52 H new ATOM 0 HA LYS A 64 -14.585 -21.099 -13.652 1.00 14.31 H new ATOM 0 HB2 LYS A 64 -14.012 -20.177 -16.489 1.00 24.33 H new ATOM 0 HB3 LYS A 64 -12.825 -20.058 -15.205 1.00 24.33 H new ATOM 0 HG2 LYS A 64 -13.449 -22.656 -14.902 1.00 34.25 H new ATOM 0 HG3 LYS A 64 -13.893 -22.489 -16.589 1.00 34.25 H new ATOM 0 HD2 LYS A 64 -11.592 -23.167 -16.548 1.00 33.25 H new ATOM 0 HD3 LYS A 64 -11.611 -21.481 -17.025 1.00 33.25 H new ATOM 0 HE2 LYS A 64 -10.989 -20.760 -14.790 1.00 41.25 H new ATOM 0 HE3 LYS A 64 -11.211 -22.374 -14.145 1.00 41.25 H new ATOM 0 HZ1 LYS A 64 -8.879 -21.890 -14.511 1.00 34.02 H new ATOM 0 HZ2 LYS A 64 -9.377 -23.152 -15.533 1.00 34.02 H new ATOM 0 HZ3 LYS A 64 -9.161 -21.588 -16.158 1.00 34.02 H new ATOM 1057 N ARG A 65 -15.483 -18.188 -14.935 1.00 53.44 N ATOM 1058 CA ARG A 65 -15.648 -16.773 -14.626 1.00 15.45 C ATOM 1059 C ARG A 65 -16.516 -16.586 -13.384 1.00 53.55 C ATOM 1060 O ARG A 65 -16.169 -15.827 -12.479 1.00 22.22 O ATOM 1061 CB ARG A 65 -16.273 -16.038 -15.813 1.00 71.12 C ATOM 1062 CG ARG A 65 -16.566 -14.572 -15.537 1.00 72.41 C ATOM 1063 CD ARG A 65 -17.389 -13.949 -16.654 1.00 2.12 C ATOM 1064 NE ARG A 65 -18.719 -14.544 -16.752 1.00 23.31 N ATOM 1065 CZ ARG A 65 -19.748 -13.951 -17.347 1.00 5.12 C ATOM 1066 NH1 ARG A 65 -19.600 -12.752 -17.894 1.00 60.30 N ATOM 1067 NH2 ARG A 65 -20.927 -14.557 -17.396 1.00 10.13 N ATOM 0 H ARG A 65 -15.826 -18.461 -15.856 1.00 53.44 H new ATOM 0 HA ARG A 65 -14.662 -16.353 -14.427 1.00 15.45 H new ATOM 0 HB2 ARG A 65 -15.602 -16.111 -16.669 1.00 71.12 H new ATOM 0 HB3 ARG A 65 -17.200 -16.539 -16.092 1.00 71.12 H new ATOM 0 HG2 ARG A 65 -17.102 -14.478 -14.593 1.00 72.41 H new ATOM 0 HG3 ARG A 65 -15.629 -14.027 -15.427 1.00 72.41 H new ATOM 0 HD2 ARG A 65 -17.483 -12.877 -16.480 1.00 2.12 H new ATOM 0 HD3 ARG A 65 -16.866 -14.073 -17.602 1.00 2.12 H new ATOM 0 HE ARG A 65 -18.866 -15.466 -16.341 1.00 23.31 H new ATOM 0 HH11 ARG A 65 -18.695 -12.283 -17.858 1.00 60.30 H new ATOM 0 HH12 ARG A 65 -20.391 -12.298 -18.350 1.00 60.30 H new ATOM 0 HH21 ARG A 65 -21.044 -15.479 -16.976 1.00 10.13 H new ATOM 0 HH22 ARG A 65 -21.716 -14.101 -17.853 1.00 10.13 H new ATOM 1081 N LYS A 66 -17.648 -17.281 -13.350 1.00 23.33 N ATOM 1082 CA LYS A 66 -18.566 -17.194 -12.221 1.00 10.34 C ATOM 1083 C LYS A 66 -17.919 -17.736 -10.950 1.00 13.11 C ATOM 1084 O LYS A 66 -18.052 -17.148 -9.877 1.00 21.43 O ATOM 1085 CB LYS A 66 -19.852 -17.967 -12.521 1.00 62.32 C ATOM 1086 CG LYS A 66 -20.721 -17.314 -13.582 1.00 64.21 C ATOM 1087 CD LYS A 66 -21.293 -15.993 -13.098 1.00 12.40 C ATOM 1088 CE LYS A 66 -22.113 -15.310 -14.182 1.00 14.01 C ATOM 1089 NZ LYS A 66 -23.134 -16.225 -14.764 1.00 12.22 N ATOM 0 H LYS A 66 -17.952 -17.911 -14.092 1.00 23.33 H new ATOM 0 HA LYS A 66 -18.810 -16.143 -12.064 1.00 10.34 H new ATOM 0 HB2 LYS A 66 -19.593 -18.975 -12.845 1.00 62.32 H new ATOM 0 HB3 LYS A 66 -20.429 -18.067 -11.602 1.00 62.32 H new ATOM 0 HG2 LYS A 66 -20.132 -17.148 -14.484 1.00 64.21 H new ATOM 0 HG3 LYS A 66 -21.535 -17.987 -13.852 1.00 64.21 H new ATOM 0 HD2 LYS A 66 -21.918 -16.165 -12.222 1.00 12.40 H new ATOM 0 HD3 LYS A 66 -20.481 -15.336 -12.786 1.00 12.40 H new ATOM 0 HE2 LYS A 66 -22.607 -14.433 -13.765 1.00 14.01 H new ATOM 0 HE3 LYS A 66 -21.449 -14.957 -14.971 1.00 14.01 H new ATOM 0 HZ1 LYS A 66 -23.820 -15.673 -15.318 1.00 12.22 H new ATOM 0 HZ2 LYS A 66 -22.667 -16.918 -15.383 1.00 12.22 H new ATOM 0 HZ3 LYS A 66 -23.630 -16.724 -13.998 1.00 12.22 H new