USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 CYS SG : rot 36:sc= 0.583 USER MOD Set 1.2: A 33 CYS SG : rot -47:sc= -2.51 USER MOD Set 1.3: A 64 HIS : no HE2:sc= -5.64! C(o=-8.4!,f=-11!) USER MOD Set 1.4: A 67 CYS SG : rot -168:sc= -0.826 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -0.371 (180deg=-2.08!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0.227 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.072) USER MOD Single : A 28 SER OG : rot 146:sc= 0.483 USER MOD Single : A 29 THR OG1 : rot 180:sc=-3.24e-05 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -146:sc= -0.207 (180deg=-0.854) USER MOD Single : A 36 LYS NZ :NH3+ -101:sc= 1.22 (180deg=-0.32) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.07) USER MOD Single : A 41 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.18) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -0.555 (180deg=-0.704) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 142:sc= -3.92! (180deg=-4.93!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0308) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000786) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -138:sc=-0.000512 (180deg=-0.558) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.517 F(o=-1.8,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 131 N LYS A 13 17.702 13.988 -2.544 1.00 0.00 N ATOM 132 CA LYS A 13 17.039 13.969 -3.843 1.00 0.00 C ATOM 133 C LYS A 13 16.165 12.727 -3.990 1.00 0.00 C ATOM 134 O LYS A 13 16.212 12.038 -5.010 1.00 0.00 O ATOM 135 CB LYS A 13 18.076 14.011 -4.968 1.00 0.00 C ATOM 136 CG LYS A 13 18.992 12.800 -4.997 1.00 0.00 C ATOM 137 CD LYS A 13 19.680 12.653 -6.344 1.00 0.00 C ATOM 138 CE LYS A 13 20.930 13.515 -6.429 1.00 0.00 C ATOM 139 NZ LYS A 13 20.599 14.962 -6.552 1.00 0.00 N ATOM 0 HA LYS A 13 16.402 14.851 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 13 17.559 14.088 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 13 18.681 14.911 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.743 12.892 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.415 11.901 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 13 19.946 11.608 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.989 12.933 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 21.541 13.357 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 13 21.527 13.205 -7.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 21.290 15.424 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.645 15.067 -6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 20.630 15.406 -5.612 1.00 0.00 H new ATOM 153 N THR A 14 15.366 12.447 -2.965 1.00 0.00 N ATOM 154 CA THR A 14 14.480 11.290 -2.980 1.00 0.00 C ATOM 155 C THR A 14 13.107 11.640 -2.418 1.00 0.00 C ATOM 156 O THR A 14 12.988 12.469 -1.515 1.00 0.00 O ATOM 157 CB THR A 14 15.071 10.120 -2.170 1.00 0.00 C ATOM 158 OG1 THR A 14 16.425 9.882 -2.570 1.00 0.00 O ATOM 159 CG2 THR A 14 14.249 8.856 -2.367 1.00 0.00 C ATOM 0 H THR A 14 15.315 13.006 -2.114 1.00 0.00 H new ATOM 0 HA THR A 14 14.376 10.986 -4.021 1.00 0.00 H new ATOM 0 HB THR A 14 15.047 10.389 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.794 9.138 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.685 8.044 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.226 9.032 -2.034 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.245 8.585 -3.423 1.00 0.00 H new ATOM 167 N LEU A 15 12.073 11.004 -2.957 1.00 0.00 N ATOM 168 CA LEU A 15 10.707 11.248 -2.508 1.00 0.00 C ATOM 169 C LEU A 15 10.438 10.553 -1.177 1.00 0.00 C ATOM 170 O LEU A 15 10.533 9.330 -1.073 1.00 0.00 O ATOM 171 CB LEU A 15 9.709 10.761 -3.560 1.00 0.00 C ATOM 172 CG LEU A 15 9.905 11.309 -4.975 1.00 0.00 C ATOM 173 CD1 LEU A 15 8.890 10.698 -5.929 1.00 0.00 C ATOM 174 CD2 LEU A 15 9.797 12.827 -4.978 1.00 0.00 C ATOM 0 H LEU A 15 12.154 10.316 -3.705 1.00 0.00 H new ATOM 0 HA LEU A 15 10.584 12.322 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.759 9.673 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.704 11.021 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 15 10.903 11.035 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.044 11.099 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.015 9.615 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.882 10.941 -5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.939 13.200 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.812 13.122 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.563 13.248 -4.326 1.00 0.00 H new ATOM 186 N GLY A 16 10.101 11.341 -0.161 1.00 0.00 N ATOM 187 CA GLY A 16 9.822 10.783 1.150 1.00 0.00 C ATOM 188 C GLY A 16 8.416 10.228 1.256 1.00 0.00 C ATOM 189 O GLY A 16 8.197 9.187 1.876 1.00 0.00 O ATOM 0 H GLY A 16 10.016 12.356 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.539 9.991 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.963 11.554 1.907 1.00 0.00 H new ATOM 193 N ASP A 17 7.459 10.925 0.652 1.00 0.00 N ATOM 194 CA ASP A 17 6.066 10.495 0.682 1.00 0.00 C ATOM 195 C ASP A 17 5.901 9.138 0.006 1.00 0.00 C ATOM 196 O ASP A 17 5.190 8.266 0.507 1.00 0.00 O ATOM 197 CB ASP A 17 5.176 11.533 -0.005 1.00 0.00 C ATOM 198 CG ASP A 17 5.527 12.952 0.394 1.00 0.00 C ATOM 199 OD1 ASP A 17 4.996 13.429 1.419 1.00 0.00 O ATOM 200 OD2 ASP A 17 6.333 13.587 -0.319 1.00 0.00 O ATOM 0 H ASP A 17 7.623 11.790 0.136 1.00 0.00 H new ATOM 0 HA ASP A 17 5.763 10.400 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.270 11.429 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.134 11.336 0.245 1.00 0.00 H new ATOM 205 N PHE A 18 6.561 8.966 -1.134 1.00 0.00 N ATOM 206 CA PHE A 18 6.485 7.715 -1.880 1.00 0.00 C ATOM 207 C PHE A 18 7.732 6.867 -1.647 1.00 0.00 C ATOM 208 O PHE A 18 8.850 7.381 -1.625 1.00 0.00 O ATOM 209 CB PHE A 18 6.319 7.997 -3.375 1.00 0.00 C ATOM 210 CG PHE A 18 5.045 8.718 -3.710 1.00 0.00 C ATOM 211 CD1 PHE A 18 4.921 10.079 -3.478 1.00 0.00 C ATOM 212 CD2 PHE A 18 3.971 8.036 -4.259 1.00 0.00 C ATOM 213 CE1 PHE A 18 3.750 10.744 -3.785 1.00 0.00 C ATOM 214 CE2 PHE A 18 2.797 8.697 -4.569 1.00 0.00 C ATOM 215 CZ PHE A 18 2.687 10.053 -4.332 1.00 0.00 C ATOM 0 H PHE A 18 7.155 9.677 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 18 5.617 7.160 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.165 8.591 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 18 6.348 7.054 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.749 10.626 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.052 6.976 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.666 11.804 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.967 8.154 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.771 10.572 -4.574 1.00 0.00 H new ATOM 225 N ALA A 19 7.531 5.565 -1.474 1.00 0.00 N ATOM 226 CA ALA A 19 8.638 4.645 -1.244 1.00 0.00 C ATOM 227 C ALA A 19 8.304 3.246 -1.751 1.00 0.00 C ATOM 228 O ALA A 19 7.215 2.729 -1.502 1.00 0.00 O ATOM 229 CB ALA A 19 8.989 4.602 0.236 1.00 0.00 C ATOM 0 H ALA A 19 6.612 5.123 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 19 9.502 5.008 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.817 3.911 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.279 5.598 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.123 4.266 0.806 1.00 0.00 H new ATOM 235 N ALA A 20 9.246 2.640 -2.465 1.00 0.00 N ATOM 236 CA ALA A 20 9.052 1.301 -3.007 1.00 0.00 C ATOM 237 C ALA A 20 10.079 0.326 -2.442 1.00 0.00 C ATOM 238 O ALA A 20 11.284 0.522 -2.597 1.00 0.00 O ATOM 239 CB ALA A 20 9.128 1.329 -4.526 1.00 0.00 C ATOM 0 H ALA A 20 10.152 3.055 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 20 8.061 0.957 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.981 0.322 -4.916 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.351 1.986 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.106 1.699 -4.835 1.00 0.00 H new ATOM 245 N GLU A 21 9.595 -0.724 -1.787 1.00 0.00 N ATOM 246 CA GLU A 21 10.473 -1.729 -1.198 1.00 0.00 C ATOM 247 C GLU A 21 9.727 -3.041 -0.977 1.00 0.00 C ATOM 248 O GLU A 21 8.500 -3.095 -1.072 1.00 0.00 O ATOM 249 CB GLU A 21 11.044 -1.224 0.129 1.00 0.00 C ATOM 250 CG GLU A 21 9.980 -0.886 1.160 1.00 0.00 C ATOM 251 CD GLU A 21 10.551 -0.186 2.378 1.00 0.00 C ATOM 252 OE1 GLU A 21 11.362 -0.810 3.094 1.00 0.00 O ATOM 253 OE2 GLU A 21 10.186 0.984 2.616 1.00 0.00 O ATOM 0 H GLU A 21 8.600 -0.901 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 21 11.293 -1.910 -1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.709 -1.983 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.650 -0.338 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.223 -0.250 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.479 -1.802 1.473 1.00 0.00 H new ATOM 260 N TYR A 22 10.476 -4.098 -0.682 1.00 0.00 N ATOM 261 CA TYR A 22 9.887 -5.411 -0.450 1.00 0.00 C ATOM 262 C TYR A 22 9.070 -5.423 0.839 1.00 0.00 C ATOM 263 O TYR A 22 9.522 -4.942 1.878 1.00 0.00 O ATOM 264 CB TYR A 22 10.980 -6.479 -0.383 1.00 0.00 C ATOM 265 CG TYR A 22 11.701 -6.690 -1.695 1.00 0.00 C ATOM 266 CD1 TYR A 22 10.995 -6.848 -2.881 1.00 0.00 C ATOM 267 CD2 TYR A 22 13.089 -6.732 -1.748 1.00 0.00 C ATOM 268 CE1 TYR A 22 11.650 -7.042 -4.082 1.00 0.00 C ATOM 269 CE2 TYR A 22 13.753 -6.924 -2.945 1.00 0.00 C ATOM 270 CZ TYR A 22 13.029 -7.079 -4.109 1.00 0.00 C ATOM 271 OH TYR A 22 13.685 -7.271 -5.303 1.00 0.00 O ATOM 0 H TYR A 22 11.492 -4.071 -0.598 1.00 0.00 H new ATOM 0 HA TYR A 22 9.220 -5.633 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.706 -6.197 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 22 10.536 -7.423 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.916 -6.819 -2.864 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.659 -6.613 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.086 -7.164 -4.995 1.00 0.00 H new ATOM 0 HE2 TYR A 22 14.832 -6.953 -2.969 1.00 0.00 H new ATOM 0 HH TYR A 22 13.148 -6.900 -6.034 1.00 0.00 H new ATOM 281 N ALA A 23 7.864 -5.976 0.762 1.00 0.00 N ATOM 282 CA ALA A 23 6.984 -6.053 1.922 1.00 0.00 C ATOM 283 C ALA A 23 7.748 -6.504 3.162 1.00 0.00 C ATOM 284 O ALA A 23 8.623 -7.367 3.085 1.00 0.00 O ATOM 285 CB ALA A 23 5.824 -6.996 1.642 1.00 0.00 C ATOM 0 H ALA A 23 7.474 -6.377 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 23 6.589 -5.056 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.175 -7.044 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.255 -6.629 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.209 -7.991 1.421 1.00 0.00 H new ATOM 291 N LYS A 24 7.413 -5.915 4.305 1.00 0.00 N ATOM 292 CA LYS A 24 8.067 -6.256 5.562 1.00 0.00 C ATOM 293 C LYS A 24 7.349 -7.411 6.253 1.00 0.00 C ATOM 294 O LYS A 24 7.981 -8.362 6.713 1.00 0.00 O ATOM 295 CB LYS A 24 8.105 -5.038 6.488 1.00 0.00 C ATOM 296 CG LYS A 24 8.731 -5.322 7.843 1.00 0.00 C ATOM 297 CD LYS A 24 10.232 -5.528 7.731 1.00 0.00 C ATOM 298 CE LYS A 24 10.937 -5.216 9.042 1.00 0.00 C ATOM 299 NZ LYS A 24 12.400 -5.018 8.852 1.00 0.00 N ATOM 0 H LYS A 24 6.692 -5.199 4.386 1.00 0.00 H new ATOM 0 HA LYS A 24 9.088 -6.567 5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.663 -4.239 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.089 -4.673 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.526 -4.493 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.272 -6.210 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.438 -6.559 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.630 -4.890 6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.503 -4.318 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.769 -6.030 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.844 -4.807 9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.819 -5.883 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.561 -4.225 8.199 1.00 0.00 H new ATOM 313 N SER A 25 6.024 -7.322 6.321 1.00 0.00 N ATOM 314 CA SER A 25 5.220 -8.359 6.958 1.00 0.00 C ATOM 315 C SER A 25 4.021 -8.727 6.089 1.00 0.00 C ATOM 316 O SER A 25 3.621 -7.965 5.211 1.00 0.00 O ATOM 317 CB SER A 25 4.743 -7.890 8.334 1.00 0.00 C ATOM 318 OG SER A 25 3.743 -6.893 8.215 1.00 0.00 O ATOM 0 H SER A 25 5.485 -6.543 5.943 1.00 0.00 H new ATOM 0 HA SER A 25 5.843 -9.245 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.350 -8.738 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.587 -7.497 8.900 1.00 0.00 H new ATOM 0 HG SER A 25 3.454 -6.611 9.108 1.00 0.00 H new ATOM 324 N ASN A 26 3.453 -9.901 6.343 1.00 0.00 N ATOM 325 CA ASN A 26 2.300 -10.372 5.584 1.00 0.00 C ATOM 326 C ASN A 26 0.998 -9.992 6.282 1.00 0.00 C ATOM 327 O ASN A 26 0.047 -10.774 6.313 1.00 0.00 O ATOM 328 CB ASN A 26 2.370 -11.889 5.400 1.00 0.00 C ATOM 329 CG ASN A 26 2.579 -12.622 6.711 1.00 0.00 C ATOM 330 OD1 ASN A 26 1.716 -12.604 7.590 1.00 0.00 O ATOM 331 ND2 ASN A 26 3.729 -13.271 6.849 1.00 0.00 N ATOM 0 H ASN A 26 3.772 -10.544 7.068 1.00 0.00 H new ATOM 0 HA ASN A 26 2.320 -9.893 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 26 1.448 -12.239 4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.184 -12.132 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.926 -13.782 7.710 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.415 -13.259 6.094 1.00 0.00 H new ATOM 338 N ARG A 27 0.962 -8.787 6.841 1.00 0.00 N ATOM 339 CA ARG A 27 -0.223 -8.304 7.540 1.00 0.00 C ATOM 340 C ARG A 27 -0.972 -7.278 6.693 1.00 0.00 C ATOM 341 O ARG A 27 -2.167 -7.425 6.436 1.00 0.00 O ATOM 342 CB ARG A 27 0.167 -7.684 8.883 1.00 0.00 C ATOM 343 CG ARG A 27 0.816 -8.669 9.841 1.00 0.00 C ATOM 344 CD ARG A 27 -0.225 -9.438 10.639 1.00 0.00 C ATOM 345 NE ARG A 27 0.333 -10.002 11.866 1.00 0.00 N ATOM 346 CZ ARG A 27 0.540 -9.296 12.972 1.00 0.00 C ATOM 347 NH1 ARG A 27 0.238 -8.006 13.004 1.00 0.00 N ATOM 348 NH2 ARG A 27 1.051 -9.881 14.048 1.00 0.00 N ATOM 0 H ARG A 27 1.740 -8.127 6.824 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.881 -9.155 7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.853 -6.856 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.723 -7.265 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.436 -9.369 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.476 -8.134 10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.053 -8.775 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.633 -10.240 10.024 1.00 0.00 H new ATOM 0 HE ARG A 27 0.577 -10.992 11.874 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.154 -7.553 12.178 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.398 -7.466 13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.285 -10.874 14.026 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.210 -9.338 14.897 1.00 0.00 H new ATOM 362 N SER A 28 -0.262 -6.240 6.265 1.00 0.00 N ATOM 363 CA SER A 28 -0.860 -5.188 5.452 1.00 0.00 C ATOM 364 C SER A 28 -1.765 -5.781 4.375 1.00 0.00 C ATOM 365 O SER A 28 -1.575 -6.919 3.946 1.00 0.00 O ATOM 366 CB SER A 28 0.230 -4.333 4.803 1.00 0.00 C ATOM 367 OG SER A 28 -0.325 -3.192 4.171 1.00 0.00 O ATOM 0 H SER A 28 0.728 -6.105 6.468 1.00 0.00 H new ATOM 0 HA SER A 28 -1.465 -4.559 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.949 -4.020 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.776 -4.928 4.071 1.00 0.00 H new ATOM 0 HG SER A 28 0.296 -2.438 4.252 1.00 0.00 H new ATOM 373 N THR A 29 -2.750 -5.000 3.943 1.00 0.00 N ATOM 374 CA THR A 29 -3.686 -5.447 2.919 1.00 0.00 C ATOM 375 C THR A 29 -4.097 -4.294 2.009 1.00 0.00 C ATOM 376 O THR A 29 -4.574 -3.260 2.478 1.00 0.00 O ATOM 377 CB THR A 29 -4.949 -6.068 3.544 1.00 0.00 C ATOM 378 OG1 THR A 29 -4.581 -7.058 4.511 1.00 0.00 O ATOM 379 CG2 THR A 29 -5.828 -6.699 2.474 1.00 0.00 C ATOM 0 H THR A 29 -2.920 -4.055 4.286 1.00 0.00 H new ATOM 0 HA THR A 29 -3.171 -6.206 2.330 1.00 0.00 H new ATOM 0 HB THR A 29 -5.513 -5.274 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.390 -7.447 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.714 -7.131 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.130 -5.937 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.270 -7.481 1.960 1.00 0.00 H new ATOM 387 N CYS A 30 -3.909 -4.479 0.707 1.00 0.00 N ATOM 388 CA CYS A 30 -4.260 -3.455 -0.269 1.00 0.00 C ATOM 389 C CYS A 30 -5.754 -3.146 -0.220 1.00 0.00 C ATOM 390 O CYS A 30 -6.557 -3.975 0.208 1.00 0.00 O ATOM 391 CB CYS A 30 -3.868 -3.907 -1.678 1.00 0.00 C ATOM 392 SG CYS A 30 -4.260 -2.698 -2.983 1.00 0.00 S ATOM 0 H CYS A 30 -3.515 -5.329 0.303 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.710 -2.547 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.798 -4.112 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.377 -4.845 -1.902 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.074 -1.494 -2.529 1.00 0.00 H new ATOM 397 N LYS A 31 -6.119 -1.947 -0.661 1.00 0.00 N ATOM 398 CA LYS A 31 -7.515 -1.527 -0.670 1.00 0.00 C ATOM 399 C LYS A 31 -8.102 -1.615 -2.075 1.00 0.00 C ATOM 400 O LYS A 31 -9.300 -1.839 -2.246 1.00 0.00 O ATOM 401 CB LYS A 31 -7.642 -0.096 -0.142 1.00 0.00 C ATOM 402 CG LYS A 31 -9.024 0.504 -0.335 1.00 0.00 C ATOM 403 CD LYS A 31 -9.949 0.156 0.819 1.00 0.00 C ATOM 404 CE LYS A 31 -11.222 0.988 0.783 1.00 0.00 C ATOM 405 NZ LYS A 31 -12.238 0.409 -0.139 1.00 0.00 N ATOM 0 H LYS A 31 -5.467 -1.248 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.074 -2.199 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.396 -0.087 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.908 0.534 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.942 1.587 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.453 0.140 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.204 -0.903 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.432 0.321 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.640 1.056 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.983 2.004 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.090 1.005 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.849 0.368 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.485 -0.551 0.176 1.00 0.00 H new ATOM 419 N GLY A 32 -7.249 -1.440 -3.080 1.00 0.00 N ATOM 420 CA GLY A 32 -7.701 -1.505 -4.457 1.00 0.00 C ATOM 421 C GLY A 32 -8.238 -2.874 -4.827 1.00 0.00 C ATOM 422 O GLY A 32 -9.293 -2.987 -5.452 1.00 0.00 O ATOM 0 H GLY A 32 -6.253 -1.254 -2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.478 -0.758 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.874 -1.251 -5.120 1.00 0.00 H new ATOM 426 N CYS A 33 -7.512 -3.917 -4.441 1.00 0.00 N ATOM 427 CA CYS A 33 -7.919 -5.285 -4.737 1.00 0.00 C ATOM 428 C CYS A 33 -8.453 -5.976 -3.485 1.00 0.00 C ATOM 429 O CYS A 33 -9.159 -6.981 -3.572 1.00 0.00 O ATOM 430 CB CYS A 33 -6.742 -6.078 -5.307 1.00 0.00 C ATOM 431 SG CYS A 33 -5.215 -5.955 -4.322 1.00 0.00 S ATOM 0 H CYS A 33 -6.637 -3.841 -3.922 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.716 -5.248 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.028 -7.127 -5.384 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.538 -5.728 -6.319 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.988 -4.709 -4.027 1.00 0.00 H new ATOM 436 N MET A 34 -8.112 -5.430 -2.323 1.00 0.00 N ATOM 437 CA MET A 34 -8.558 -5.993 -1.054 1.00 0.00 C ATOM 438 C MET A 34 -7.987 -7.393 -0.850 1.00 0.00 C ATOM 439 O MET A 34 -8.727 -8.343 -0.597 1.00 0.00 O ATOM 440 CB MET A 34 -10.086 -6.040 -1.002 1.00 0.00 C ATOM 441 CG MET A 34 -10.740 -4.671 -1.094 1.00 0.00 C ATOM 442 SD MET A 34 -12.537 -4.750 -0.979 1.00 0.00 S ATOM 443 CE MET A 34 -12.915 -5.859 -2.334 1.00 0.00 C ATOM 0 H MET A 34 -7.528 -4.598 -2.234 1.00 0.00 H new ATOM 0 HA MET A 34 -8.194 -5.351 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.450 -6.663 -1.819 1.00 0.00 H new ATOM 0 HB3 MET A 34 -10.395 -6.520 -0.073 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.356 -4.035 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 34 -10.461 -4.202 -2.037 1.00 0.00 H new ATOM 0 HE1 MET A 34 -13.864 -5.571 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 34 -12.125 -5.801 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 34 -12.986 -6.880 -1.959 1.00 0.00 H new ATOM 453 N GLU A 35 -6.668 -7.511 -0.961 1.00 0.00 N ATOM 454 CA GLU A 35 -6.000 -8.796 -0.789 1.00 0.00 C ATOM 455 C GLU A 35 -4.739 -8.645 0.056 1.00 0.00 C ATOM 456 O GLU A 35 -3.967 -7.702 -0.122 1.00 0.00 O ATOM 457 CB GLU A 35 -5.646 -9.398 -2.151 1.00 0.00 C ATOM 458 CG GLU A 35 -4.330 -8.891 -2.717 1.00 0.00 C ATOM 459 CD GLU A 35 -4.292 -8.932 -4.232 1.00 0.00 C ATOM 460 OE1 GLU A 35 -5.356 -8.745 -4.858 1.00 0.00 O ATOM 461 OE2 GLU A 35 -3.197 -9.151 -4.792 1.00 0.00 O ATOM 0 H GLU A 35 -6.041 -6.734 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.685 -9.466 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.598 -10.483 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.446 -9.174 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.165 -7.867 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.512 -9.493 -2.320 1.00 0.00 H new ATOM 468 N LYS A 36 -4.535 -9.580 0.977 1.00 0.00 N ATOM 469 CA LYS A 36 -3.369 -9.554 1.851 1.00 0.00 C ATOM 470 C LYS A 36 -2.084 -9.426 1.039 1.00 0.00 C ATOM 471 O LYS A 36 -1.930 -10.066 -0.002 1.00 0.00 O ATOM 472 CB LYS A 36 -3.319 -10.820 2.709 1.00 0.00 C ATOM 473 CG LYS A 36 -3.355 -12.105 1.899 1.00 0.00 C ATOM 474 CD LYS A 36 -1.956 -12.593 1.564 1.00 0.00 C ATOM 475 CE LYS A 36 -1.956 -13.479 0.327 1.00 0.00 C ATOM 476 NZ LYS A 36 -2.187 -12.695 -0.917 1.00 0.00 N ATOM 0 H LYS A 36 -5.164 -10.367 1.138 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.455 -8.685 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.411 -10.805 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.161 -10.813 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.885 -12.875 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.914 -11.940 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.301 -11.738 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.551 -13.148 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.002 -14.002 0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.730 -14.240 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.178 -12.800 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.984 -11.691 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.561 -13.046 -1.670 1.00 0.00 H new ATOM 490 N ILE A 37 -1.164 -8.598 1.522 1.00 0.00 N ATOM 491 CA ILE A 37 0.109 -8.390 0.842 1.00 0.00 C ATOM 492 C ILE A 37 1.133 -9.439 1.259 1.00 0.00 C ATOM 493 O ILE A 37 1.519 -9.515 2.425 1.00 0.00 O ATOM 494 CB ILE A 37 0.679 -6.988 1.131 1.00 0.00 C ATOM 495 CG1 ILE A 37 -0.310 -5.910 0.683 1.00 0.00 C ATOM 496 CG2 ILE A 37 2.019 -6.808 0.435 1.00 0.00 C ATOM 497 CD1 ILE A 37 0.110 -4.508 1.068 1.00 0.00 C ATOM 0 H ILE A 37 -1.276 -8.060 2.381 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.085 -8.481 -0.227 1.00 0.00 H new ATOM 0 HB ILE A 37 0.834 -6.888 2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.426 -5.962 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.287 -6.121 1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.409 -5.813 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.721 -7.559 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.889 -6.923 -0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.637 -3.795 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.198 -4.439 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.072 -4.278 0.611 1.00 0.00 H new ATOM 509 N GLU A 38 1.572 -10.245 0.297 1.00 0.00 N ATOM 510 CA GLU A 38 2.553 -11.290 0.565 1.00 0.00 C ATOM 511 C GLU A 38 3.869 -10.688 1.051 1.00 0.00 C ATOM 512 O GLU A 38 4.362 -9.709 0.491 1.00 0.00 O ATOM 513 CB GLU A 38 2.796 -12.127 -0.692 1.00 0.00 C ATOM 514 CG GLU A 38 1.684 -13.118 -0.988 1.00 0.00 C ATOM 515 CD GLU A 38 1.772 -13.695 -2.388 1.00 0.00 C ATOM 516 OE1 GLU A 38 2.220 -12.970 -3.301 1.00 0.00 O ATOM 517 OE2 GLU A 38 1.394 -14.871 -2.569 1.00 0.00 O ATOM 0 H GLU A 38 1.264 -10.194 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 38 2.155 -11.934 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.913 -11.459 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.735 -12.670 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.723 -13.930 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.720 -12.625 -0.863 1.00 0.00 H new ATOM 524 N LYS A 39 4.433 -11.281 2.098 1.00 0.00 N ATOM 525 CA LYS A 39 5.691 -10.807 2.661 1.00 0.00 C ATOM 526 C LYS A 39 6.835 -10.994 1.670 1.00 0.00 C ATOM 527 O LYS A 39 7.133 -12.113 1.255 1.00 0.00 O ATOM 528 CB LYS A 39 6.003 -11.548 3.963 1.00 0.00 C ATOM 529 CG LYS A 39 7.102 -10.898 4.785 1.00 0.00 C ATOM 530 CD LYS A 39 7.786 -11.903 5.696 1.00 0.00 C ATOM 531 CE LYS A 39 9.223 -11.500 5.992 1.00 0.00 C ATOM 532 NZ LYS A 39 9.310 -10.571 7.153 1.00 0.00 N ATOM 0 H LYS A 39 4.038 -12.092 2.574 1.00 0.00 H new ATOM 0 HA LYS A 39 5.587 -9.743 2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.096 -11.605 4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.294 -12.572 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.839 -10.449 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.680 -10.091 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.231 -11.986 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.772 -12.888 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.816 -12.392 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.655 -11.023 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.298 -10.506 7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.975 -9.628 6.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.718 -10.929 7.929 1.00 0.00 H new ATOM 546 N GLY A 40 7.475 -9.890 1.296 1.00 0.00 N ATOM 547 CA GLY A 40 8.581 -9.955 0.358 1.00 0.00 C ATOM 548 C GLY A 40 8.250 -9.310 -0.973 1.00 0.00 C ATOM 549 O GLY A 40 9.076 -8.602 -1.549 1.00 0.00 O ATOM 0 H GLY A 40 7.247 -8.952 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.451 -9.461 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.855 -10.997 0.195 1.00 0.00 H new ATOM 553 N GLN A 41 7.039 -9.556 -1.464 1.00 0.00 N ATOM 554 CA GLN A 41 6.603 -8.995 -2.737 1.00 0.00 C ATOM 555 C GLN A 41 6.715 -7.474 -2.729 1.00 0.00 C ATOM 556 O GLN A 41 6.322 -6.817 -1.765 1.00 0.00 O ATOM 557 CB GLN A 41 5.161 -9.410 -3.034 1.00 0.00 C ATOM 558 CG GLN A 41 4.995 -10.902 -3.275 1.00 0.00 C ATOM 559 CD GLN A 41 5.847 -11.406 -4.424 1.00 0.00 C ATOM 560 OE1 GLN A 41 6.957 -11.899 -4.219 1.00 0.00 O ATOM 561 NE2 GLN A 41 5.331 -11.285 -5.641 1.00 0.00 N ATOM 0 H GLN A 41 6.343 -10.140 -1.000 1.00 0.00 H new ATOM 0 HA GLN A 41 7.255 -9.385 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.527 -9.112 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.809 -8.867 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.259 -11.444 -2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.947 -11.118 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.407 -10.870 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.858 -11.607 -6.453 1.00 0.00 H new ATOM 570 N VAL A 42 7.254 -6.919 -3.810 1.00 0.00 N ATOM 571 CA VAL A 42 7.418 -5.475 -3.928 1.00 0.00 C ATOM 572 C VAL A 42 6.140 -4.744 -3.531 1.00 0.00 C ATOM 573 O VAL A 42 5.036 -5.247 -3.735 1.00 0.00 O ATOM 574 CB VAL A 42 7.804 -5.070 -5.363 1.00 0.00 C ATOM 575 CG1 VAL A 42 8.039 -3.569 -5.448 1.00 0.00 C ATOM 576 CG2 VAL A 42 9.035 -5.838 -5.820 1.00 0.00 C ATOM 0 H VAL A 42 7.585 -7.448 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 42 8.222 -5.190 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 42 6.979 -5.323 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.311 -3.301 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.128 -3.042 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.846 -3.288 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.294 -5.540 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.869 -5.618 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.825 -6.907 -5.798 1.00 0.00 H new ATOM 586 N ARG A 43 6.299 -3.553 -2.964 1.00 0.00 N ATOM 587 CA ARG A 43 5.159 -2.751 -2.537 1.00 0.00 C ATOM 588 C ARG A 43 5.525 -1.271 -2.482 1.00 0.00 C ATOM 589 O ARG A 43 6.703 -0.912 -2.465 1.00 0.00 O ATOM 590 CB ARG A 43 4.665 -3.217 -1.166 1.00 0.00 C ATOM 591 CG ARG A 43 5.741 -3.198 -0.093 1.00 0.00 C ATOM 592 CD ARG A 43 5.137 -3.259 1.302 1.00 0.00 C ATOM 593 NE ARG A 43 6.101 -2.882 2.332 1.00 0.00 N ATOM 594 CZ ARG A 43 5.782 -2.713 3.611 1.00 0.00 C ATOM 595 NH1 ARG A 43 4.531 -2.888 4.014 1.00 0.00 N ATOM 596 NH2 ARG A 43 6.715 -2.369 4.489 1.00 0.00 N ATOM 0 H ARG A 43 7.207 -3.122 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 43 4.361 -2.883 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.838 -2.580 -0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.271 -4.229 -1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.415 -4.043 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.340 -2.293 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.274 -2.595 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.775 -4.268 1.496 1.00 0.00 H new ATOM 0 HE ARG A 43 7.072 -2.741 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.811 -3.153 3.342 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.289 -2.758 4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.679 -2.234 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.469 -2.240 5.470 1.00 0.00 H new ATOM 610 N LEU A 44 4.508 -0.416 -2.455 1.00 0.00 N ATOM 611 CA LEU A 44 4.722 1.026 -2.402 1.00 0.00 C ATOM 612 C LEU A 44 3.846 1.668 -1.330 1.00 0.00 C ATOM 613 O LEU A 44 2.783 1.148 -0.990 1.00 0.00 O ATOM 614 CB LEU A 44 4.425 1.656 -3.764 1.00 0.00 C ATOM 615 CG LEU A 44 5.175 1.060 -4.956 1.00 0.00 C ATOM 616 CD1 LEU A 44 4.323 0.009 -5.651 1.00 0.00 C ATOM 617 CD2 LEU A 44 5.577 2.154 -5.934 1.00 0.00 C ATOM 0 H LEU A 44 3.527 -0.696 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 44 5.766 1.204 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.355 1.573 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.657 2.719 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 44 6.081 0.579 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.873 -0.404 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.085 -0.789 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.400 0.466 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.110 1.712 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.684 2.664 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.225 2.871 -5.431 1.00 0.00 H new ATOM 629 N SER A 45 4.299 2.801 -0.804 1.00 0.00 N ATOM 630 CA SER A 45 3.557 3.513 0.230 1.00 0.00 C ATOM 631 C SER A 45 3.434 4.995 -0.113 1.00 0.00 C ATOM 632 O SER A 45 4.346 5.589 -0.688 1.00 0.00 O ATOM 633 CB SER A 45 4.245 3.348 1.587 1.00 0.00 C ATOM 634 OG SER A 45 5.376 4.194 1.691 1.00 0.00 O ATOM 0 H SER A 45 5.176 3.246 -1.076 1.00 0.00 H new ATOM 0 HA SER A 45 2.556 3.085 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.540 3.578 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.550 2.310 1.720 1.00 0.00 H new ATOM 0 HG SER A 45 5.797 4.071 2.567 1.00 0.00 H new ATOM 640 N LYS A 46 2.298 5.585 0.244 1.00 0.00 N ATOM 641 CA LYS A 46 2.053 6.997 -0.023 1.00 0.00 C ATOM 642 C LYS A 46 1.541 7.707 1.226 1.00 0.00 C ATOM 643 O LYS A 46 0.509 7.334 1.786 1.00 0.00 O ATOM 644 CB LYS A 46 1.042 7.154 -1.162 1.00 0.00 C ATOM 645 CG LYS A 46 0.925 8.577 -1.680 1.00 0.00 C ATOM 646 CD LYS A 46 -0.033 8.665 -2.856 1.00 0.00 C ATOM 647 CE LYS A 46 -1.452 8.965 -2.398 1.00 0.00 C ATOM 648 NZ LYS A 46 -1.561 10.316 -1.780 1.00 0.00 N ATOM 0 H LYS A 46 1.532 5.107 0.719 1.00 0.00 H new ATOM 0 HA LYS A 46 2.998 7.454 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.330 6.499 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.063 6.820 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.579 9.230 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.908 8.937 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.301 9.444 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.019 7.726 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.130 8.899 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.769 8.210 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.266 10.292 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.638 10.595 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.855 11.005 -2.501 1.00 0.00 H new ATOM 662 N LYS A 47 2.267 8.732 1.658 1.00 0.00 N ATOM 663 CA LYS A 47 1.885 9.496 2.840 1.00 0.00 C ATOM 664 C LYS A 47 0.698 10.406 2.540 1.00 0.00 C ATOM 665 O LYS A 47 0.794 11.318 1.720 1.00 0.00 O ATOM 666 CB LYS A 47 3.068 10.332 3.336 1.00 0.00 C ATOM 667 CG LYS A 47 3.000 10.662 4.817 1.00 0.00 C ATOM 668 CD LYS A 47 4.285 11.312 5.303 1.00 0.00 C ATOM 669 CE LYS A 47 4.313 12.799 4.984 1.00 0.00 C ATOM 670 NZ LYS A 47 5.704 13.323 4.904 1.00 0.00 N ATOM 0 H LYS A 47 3.124 9.053 1.207 1.00 0.00 H new ATOM 0 HA LYS A 47 1.593 8.791 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.993 9.792 3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.110 11.261 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.160 11.331 5.003 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.814 9.751 5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.383 11.168 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.140 10.823 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.803 12.977 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.763 13.345 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.680 14.339 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.183 13.176 5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.222 12.820 4.156 1.00 0.00 H new ATOM 684 N MET A 48 -0.421 10.151 3.211 1.00 0.00 N ATOM 685 CA MET A 48 -1.626 10.949 3.017 1.00 0.00 C ATOM 686 C MET A 48 -2.589 10.773 4.187 1.00 0.00 C ATOM 687 O MET A 48 -2.491 9.807 4.944 1.00 0.00 O ATOM 688 CB MET A 48 -2.318 10.558 1.709 1.00 0.00 C ATOM 689 CG MET A 48 -2.657 9.079 1.620 1.00 0.00 C ATOM 690 SD MET A 48 -3.876 8.722 0.341 1.00 0.00 S ATOM 691 CE MET A 48 -5.364 8.563 1.326 1.00 0.00 C ATOM 0 H MET A 48 -0.518 9.399 3.893 1.00 0.00 H new ATOM 0 HA MET A 48 -1.332 11.997 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.234 11.139 1.604 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.673 10.826 0.872 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.748 8.513 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.037 8.739 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.209 8.341 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.239 7.755 2.046 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.550 9.497 1.857 1.00 0.00 H new ATOM 701 N VAL A 49 -3.518 11.712 4.330 1.00 0.00 N ATOM 702 CA VAL A 49 -4.499 11.660 5.407 1.00 0.00 C ATOM 703 C VAL A 49 -5.820 11.074 4.921 1.00 0.00 C ATOM 704 O VAL A 49 -6.275 11.375 3.817 1.00 0.00 O ATOM 705 CB VAL A 49 -4.757 13.058 5.999 1.00 0.00 C ATOM 706 CG1 VAL A 49 -5.838 12.995 7.068 1.00 0.00 C ATOM 707 CG2 VAL A 49 -3.471 13.644 6.564 1.00 0.00 C ATOM 0 H VAL A 49 -3.612 12.519 3.713 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.083 11.016 6.182 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.107 13.712 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.006 13.992 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.763 12.621 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.520 12.326 7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.672 14.632 6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.089 12.992 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.730 13.728 5.769 1.00 0.00 H new ATOM 717 N ASP A 50 -6.430 10.236 5.751 1.00 0.00 N ATOM 718 CA ASP A 50 -7.701 9.609 5.407 1.00 0.00 C ATOM 719 C ASP A 50 -8.866 10.554 5.683 1.00 0.00 C ATOM 720 O ASP A 50 -9.042 11.054 6.794 1.00 0.00 O ATOM 721 CB ASP A 50 -7.883 8.310 6.194 1.00 0.00 C ATOM 722 CG ASP A 50 -9.029 7.470 5.668 1.00 0.00 C ATOM 723 OD1 ASP A 50 -9.997 8.053 5.136 1.00 0.00 O ATOM 724 OD2 ASP A 50 -8.960 6.228 5.789 1.00 0.00 O ATOM 0 H ASP A 50 -6.065 9.975 6.667 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.688 9.380 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.961 7.730 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.061 8.546 7.243 1.00 0.00 H new ATOM 729 N PRO A 51 -9.682 10.805 4.648 1.00 0.00 N ATOM 730 CA PRO A 51 -10.845 11.692 4.755 1.00 0.00 C ATOM 731 C PRO A 51 -11.955 11.092 5.611 1.00 0.00 C ATOM 732 O PRO A 51 -12.747 11.817 6.213 1.00 0.00 O ATOM 733 CB PRO A 51 -11.311 11.842 3.304 1.00 0.00 C ATOM 734 CG PRO A 51 -10.827 10.609 2.622 1.00 0.00 C ATOM 735 CD PRO A 51 -9.533 10.243 3.296 1.00 0.00 C ATOM 0 HA PRO A 51 -10.594 12.637 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.396 11.928 3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.894 12.738 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.555 9.803 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.676 10.786 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.386 9.163 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.675 10.669 2.776 1.00 0.00 H new ATOM 743 N GLU A 52 -12.005 9.765 5.662 1.00 0.00 N ATOM 744 CA GLU A 52 -13.020 9.069 6.446 1.00 0.00 C ATOM 745 C GLU A 52 -12.703 9.147 7.936 1.00 0.00 C ATOM 746 O GLU A 52 -13.573 9.452 8.752 1.00 0.00 O ATOM 747 CB GLU A 52 -13.118 7.606 6.009 1.00 0.00 C ATOM 748 CG GLU A 52 -13.536 7.429 4.559 1.00 0.00 C ATOM 749 CD GLU A 52 -13.218 6.047 4.024 1.00 0.00 C ATOM 750 OE1 GLU A 52 -13.833 5.070 4.500 1.00 0.00 O ATOM 751 OE2 GLU A 52 -12.353 5.942 3.129 1.00 0.00 O ATOM 0 H GLU A 52 -11.356 9.150 5.171 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.978 9.558 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.152 7.125 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.834 7.092 6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.607 7.612 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.032 8.176 3.946 1.00 0.00 H new ATOM 758 N LYS A 53 -11.452 8.867 8.285 1.00 0.00 N ATOM 759 CA LYS A 53 -11.018 8.905 9.677 1.00 0.00 C ATOM 760 C LYS A 53 -9.927 9.952 9.878 1.00 0.00 C ATOM 761 O LYS A 53 -8.735 9.644 9.900 1.00 0.00 O ATOM 762 CB LYS A 53 -10.507 7.530 10.111 1.00 0.00 C ATOM 763 CG LYS A 53 -11.605 6.596 10.590 1.00 0.00 C ATOM 764 CD LYS A 53 -11.110 5.164 10.701 1.00 0.00 C ATOM 765 CE LYS A 53 -10.238 4.969 11.932 1.00 0.00 C ATOM 766 NZ LYS A 53 -10.097 3.531 12.290 1.00 0.00 N ATOM 0 H LYS A 53 -10.720 8.611 7.622 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.876 9.177 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.985 7.065 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.777 7.659 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.972 6.931 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.447 6.638 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.962 4.486 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.543 4.904 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.252 5.396 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.670 5.512 12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.496 3.441 13.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.035 3.129 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.661 3.017 11.498 1.00 0.00 H new ATOM 780 N PRO A 54 -10.341 11.218 10.030 1.00 0.00 N ATOM 781 CA PRO A 54 -9.414 12.336 10.235 1.00 0.00 C ATOM 782 C PRO A 54 -8.742 12.288 11.602 1.00 0.00 C ATOM 783 O PRO A 54 -7.728 12.948 11.828 1.00 0.00 O ATOM 784 CB PRO A 54 -10.315 13.568 10.124 1.00 0.00 C ATOM 785 CG PRO A 54 -11.672 13.081 10.496 1.00 0.00 C ATOM 786 CD PRO A 54 -11.747 11.658 10.015 1.00 0.00 C ATOM 0 HA PRO A 54 -8.595 12.324 9.516 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.983 14.363 10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.304 13.976 9.113 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.825 13.137 11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.447 13.691 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.367 11.045 10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.178 11.594 9.016 1.00 0.00 H new ATOM 794 N GLN A 55 -9.313 11.503 12.510 1.00 0.00 N ATOM 795 CA GLN A 55 -8.767 11.370 13.856 1.00 0.00 C ATOM 796 C GLN A 55 -7.286 11.010 13.810 1.00 0.00 C ATOM 797 O GLN A 55 -6.473 11.587 14.534 1.00 0.00 O ATOM 798 CB GLN A 55 -9.538 10.306 14.639 1.00 0.00 C ATOM 799 CG GLN A 55 -9.428 8.912 14.043 1.00 0.00 C ATOM 800 CD GLN A 55 -10.331 7.909 14.733 1.00 0.00 C ATOM 801 OE1 GLN A 55 -11.524 7.826 14.439 1.00 0.00 O ATOM 802 NE2 GLN A 55 -9.766 7.140 15.656 1.00 0.00 N ATOM 0 H GLN A 55 -10.153 10.950 12.339 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.873 12.331 14.360 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.170 10.284 15.665 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.589 10.591 14.684 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.680 8.953 12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.395 8.572 14.112 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.774 7.243 15.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.324 6.446 16.153 1.00 0.00 H new ATOM 811 N LEU A 56 -6.941 10.054 12.955 1.00 0.00 N ATOM 812 CA LEU A 56 -5.556 9.616 12.814 1.00 0.00 C ATOM 813 C LEU A 56 -4.721 10.674 12.101 1.00 0.00 C ATOM 814 O LEU A 56 -3.655 11.063 12.577 1.00 0.00 O ATOM 815 CB LEU A 56 -5.494 8.296 12.044 1.00 0.00 C ATOM 816 CG LEU A 56 -6.402 7.177 12.555 1.00 0.00 C ATOM 817 CD1 LEU A 56 -6.446 6.028 11.560 1.00 0.00 C ATOM 818 CD2 LEU A 56 -5.931 6.688 13.917 1.00 0.00 C ATOM 0 H LEU A 56 -7.601 9.567 12.349 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.144 9.467 13.812 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.746 8.494 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.465 7.937 12.060 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.411 7.575 12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.097 5.241 11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.831 6.387 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.441 5.630 11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.589 5.892 14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.913 6.308 13.835 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.953 7.514 14.628 1.00 0.00 H new ATOM 830 N GLY A 57 -5.213 11.137 10.956 1.00 0.00 N ATOM 831 CA GLY A 57 -4.500 12.148 10.196 1.00 0.00 C ATOM 832 C GLY A 57 -3.476 11.549 9.253 1.00 0.00 C ATOM 833 O GLY A 57 -3.822 10.771 8.364 1.00 0.00 O ATOM 0 H GLY A 57 -6.093 10.830 10.541 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.215 12.739 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.001 12.830 10.884 1.00 0.00 H new ATOM 837 N MET A 58 -2.212 11.912 9.446 1.00 0.00 N ATOM 838 CA MET A 58 -1.135 11.405 8.605 1.00 0.00 C ATOM 839 C MET A 58 -0.940 9.907 8.815 1.00 0.00 C ATOM 840 O MET A 58 -0.582 9.466 9.908 1.00 0.00 O ATOM 841 CB MET A 58 0.168 12.148 8.905 1.00 0.00 C ATOM 842 CG MET A 58 0.296 13.473 8.170 1.00 0.00 C ATOM 843 SD MET A 58 1.144 13.310 6.587 1.00 0.00 S ATOM 844 CE MET A 58 -0.143 12.564 5.589 1.00 0.00 C ATOM 0 H MET A 58 -1.909 12.555 10.177 1.00 0.00 H new ATOM 0 HA MET A 58 -1.410 11.575 7.564 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.234 12.329 9.978 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.010 11.510 8.637 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.698 13.890 8.004 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.838 14.181 8.797 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.108 12.978 4.581 1.00 0.00 H new ATOM 0 HE2 MET A 58 0.010 11.486 5.544 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.116 12.774 6.034 1.00 0.00 H new ATOM 854 N ILE A 59 -1.178 9.130 7.764 1.00 0.00 N ATOM 855 CA ILE A 59 -1.027 7.682 7.834 1.00 0.00 C ATOM 856 C ILE A 59 -0.232 7.153 6.645 1.00 0.00 C ATOM 857 O ILE A 59 0.058 7.890 5.703 1.00 0.00 O ATOM 858 CB ILE A 59 -2.395 6.975 7.878 1.00 0.00 C ATOM 859 CG1 ILE A 59 -3.190 7.278 6.607 1.00 0.00 C ATOM 860 CG2 ILE A 59 -3.174 7.405 9.113 1.00 0.00 C ATOM 861 CD1 ILE A 59 -4.250 6.244 6.297 1.00 0.00 C ATOM 0 H ILE A 59 -1.476 9.479 6.853 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.485 7.466 8.755 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.231 5.899 7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.665 8.254 6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.502 7.345 5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.138 6.897 9.130 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.610 7.143 10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.332 8.483 9.086 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.774 6.523 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.780 5.270 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.961 6.193 7.122 1.00 0.00 H new ATOM 873 N ASP A 60 0.116 5.872 6.696 1.00 0.00 N ATOM 874 CA ASP A 60 0.875 5.243 5.622 1.00 0.00 C ATOM 875 C ASP A 60 0.085 4.097 4.997 1.00 0.00 C ATOM 876 O ASP A 60 -0.228 3.110 5.663 1.00 0.00 O ATOM 877 CB ASP A 60 2.214 4.727 6.149 1.00 0.00 C ATOM 878 CG ASP A 60 2.903 5.726 7.058 1.00 0.00 C ATOM 879 OD1 ASP A 60 3.546 6.660 6.534 1.00 0.00 O ATOM 880 OD2 ASP A 60 2.798 5.576 8.293 1.00 0.00 O ATOM 0 H ASP A 60 -0.116 5.249 7.470 1.00 0.00 H new ATOM 0 HA ASP A 60 1.061 5.994 4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.053 3.796 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.867 4.495 5.308 1.00 0.00 H new ATOM 885 N ARG A 61 -0.236 4.237 3.715 1.00 0.00 N ATOM 886 CA ARG A 61 -0.991 3.215 3.001 1.00 0.00 C ATOM 887 C ARG A 61 -0.065 2.345 2.155 1.00 0.00 C ATOM 888 O ARG A 61 1.100 2.682 1.947 1.00 0.00 O ATOM 889 CB ARG A 61 -2.052 3.864 2.110 1.00 0.00 C ATOM 890 CG ARG A 61 -3.048 4.721 2.874 1.00 0.00 C ATOM 891 CD ARG A 61 -4.205 3.891 3.406 1.00 0.00 C ATOM 892 NE ARG A 61 -5.451 4.652 3.447 1.00 0.00 N ATOM 893 CZ ARG A 61 -6.546 4.236 4.075 1.00 0.00 C ATOM 894 NH1 ARG A 61 -6.548 3.073 4.711 1.00 0.00 N ATOM 895 NH2 ARG A 61 -7.641 4.986 4.068 1.00 0.00 N ATOM 0 H ARG A 61 0.015 5.048 3.150 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.483 2.581 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.557 4.480 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.593 3.083 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.543 5.216 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.431 5.505 2.221 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.339 3.010 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.965 3.534 4.408 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.483 5.552 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.708 2.495 4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.390 2.756 5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.642 5.882 3.581 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.481 4.666 4.550 1.00 0.00 H new ATOM 909 N TRP A 62 -0.592 1.225 1.673 1.00 0.00 N ATOM 910 CA TRP A 62 0.188 0.307 0.851 1.00 0.00 C ATOM 911 C TRP A 62 -0.625 -0.179 -0.344 1.00 0.00 C ATOM 912 O TRP A 62 -1.801 -0.519 -0.210 1.00 0.00 O ATOM 913 CB TRP A 62 0.654 -0.887 1.686 1.00 0.00 C ATOM 914 CG TRP A 62 1.602 -0.510 2.784 1.00 0.00 C ATOM 915 CD1 TRP A 62 1.298 -0.335 4.104 1.00 0.00 C ATOM 916 CD2 TRP A 62 3.006 -0.261 2.657 1.00 0.00 C ATOM 917 NE1 TRP A 62 2.429 0.009 4.805 1.00 0.00 N ATOM 918 CE2 TRP A 62 3.490 0.060 3.940 1.00 0.00 C ATOM 919 CE3 TRP A 62 3.901 -0.279 1.584 1.00 0.00 C ATOM 920 CZ2 TRP A 62 4.828 0.361 4.177 1.00 0.00 C ATOM 921 CZ3 TRP A 62 5.230 0.020 1.821 1.00 0.00 C ATOM 922 CH2 TRP A 62 5.683 0.335 3.108 1.00 0.00 C ATOM 0 H TRP A 62 -1.555 0.931 1.837 1.00 0.00 H new ATOM 0 HA TRP A 62 1.060 0.844 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.216 -1.379 2.120 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.137 -1.612 1.032 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.314 -0.450 4.534 1.00 0.00 H new ATOM 0 HE1 TRP A 62 2.471 0.196 5.807 1.00 0.00 H new ATOM 0 HE3 TRP A 62 3.561 -0.522 0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 5.179 0.606 5.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.931 0.010 0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 62 6.728 0.562 3.260 1.00 0.00 H new ATOM 933 N TYR A 63 0.008 -0.210 -1.511 1.00 0.00 N ATOM 934 CA TYR A 63 -0.659 -0.653 -2.731 1.00 0.00 C ATOM 935 C TYR A 63 0.309 -1.405 -3.639 1.00 0.00 C ATOM 936 O TYR A 63 1.357 -0.881 -4.018 1.00 0.00 O ATOM 937 CB TYR A 63 -1.250 0.544 -3.477 1.00 0.00 C ATOM 938 CG TYR A 63 -2.385 1.218 -2.739 1.00 0.00 C ATOM 939 CD1 TYR A 63 -3.680 0.719 -2.810 1.00 0.00 C ATOM 940 CD2 TYR A 63 -2.162 2.353 -1.969 1.00 0.00 C ATOM 941 CE1 TYR A 63 -4.719 1.332 -2.137 1.00 0.00 C ATOM 942 CE2 TYR A 63 -3.195 2.972 -1.292 1.00 0.00 C ATOM 943 CZ TYR A 63 -4.472 2.458 -1.380 1.00 0.00 C ATOM 944 OH TYR A 63 -5.504 3.070 -0.707 1.00 0.00 O ATOM 0 H TYR A 63 0.982 0.066 -1.639 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.465 -1.331 -2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.461 1.274 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.608 0.213 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.877 -0.163 -3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.163 2.758 -1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.720 0.931 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.004 3.853 -0.697 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.161 3.849 -0.221 1.00 0.00 H new ATOM 954 N HIS A 64 -0.050 -2.637 -3.984 1.00 0.00 N ATOM 955 CA HIS A 64 0.786 -3.463 -4.848 1.00 0.00 C ATOM 956 C HIS A 64 1.224 -2.684 -6.085 1.00 0.00 C ATOM 957 O HIS A 64 0.515 -1.807 -6.579 1.00 0.00 O ATOM 958 CB HIS A 64 0.032 -4.726 -5.267 1.00 0.00 C ATOM 959 CG HIS A 64 -0.529 -5.499 -4.113 1.00 0.00 C ATOM 960 ND1 HIS A 64 -1.790 -5.278 -3.602 1.00 0.00 N ATOM 961 CD2 HIS A 64 0.008 -6.496 -3.372 1.00 0.00 C ATOM 962 CE1 HIS A 64 -2.005 -6.106 -2.595 1.00 0.00 C ATOM 963 NE2 HIS A 64 -0.929 -6.856 -2.435 1.00 0.00 N ATOM 0 H HIS A 64 -0.914 -3.085 -3.679 1.00 0.00 H new ATOM 0 HA HIS A 64 1.675 -3.749 -4.286 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.781 -4.448 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.705 -5.370 -5.832 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.453 -4.584 -3.947 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.990 -6.928 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.907 -6.160 -2.003 1.00 0.00 H new ATOM 971 N PRO A 65 2.419 -3.010 -6.598 1.00 0.00 N ATOM 972 CA PRO A 65 2.978 -2.353 -7.783 1.00 0.00 C ATOM 973 C PRO A 65 1.973 -2.264 -8.926 1.00 0.00 C ATOM 974 O PRO A 65 1.914 -1.262 -9.637 1.00 0.00 O ATOM 975 CB PRO A 65 4.150 -3.258 -8.171 1.00 0.00 C ATOM 976 CG PRO A 65 4.552 -3.924 -6.901 1.00 0.00 C ATOM 977 CD PRO A 65 3.318 -4.046 -6.061 1.00 0.00 C ATOM 0 HA PRO A 65 3.267 -1.322 -7.578 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.854 -3.988 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.973 -2.681 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.982 -4.906 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.314 -3.341 -6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.876 -5.039 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.535 -3.879 -5.006 1.00 0.00 H new ATOM 985 N GLY A 66 1.182 -3.319 -9.095 1.00 0.00 N ATOM 986 CA GLY A 66 0.188 -3.340 -10.153 1.00 0.00 C ATOM 987 C GLY A 66 -0.982 -2.419 -9.867 1.00 0.00 C ATOM 988 O GLY A 66 -1.547 -1.818 -10.782 1.00 0.00 O ATOM 0 H GLY A 66 1.212 -4.160 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.656 -3.047 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.178 -4.358 -10.283 1.00 0.00 H new ATOM 992 N CYS A 67 -1.349 -2.309 -8.595 1.00 0.00 N ATOM 993 CA CYS A 67 -2.461 -1.457 -8.190 1.00 0.00 C ATOM 994 C CYS A 67 -2.054 0.014 -8.209 1.00 0.00 C ATOM 995 O CYS A 67 -2.841 0.882 -8.588 1.00 0.00 O ATOM 996 CB CYS A 67 -2.945 -1.845 -6.792 1.00 0.00 C ATOM 997 SG CYS A 67 -3.249 -3.629 -6.579 1.00 0.00 S ATOM 0 H CYS A 67 -0.892 -2.800 -7.826 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.274 -1.600 -8.902 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.204 -1.524 -6.060 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.865 -1.302 -6.574 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.896 -3.829 -5.470 1.00 0.00 H new ATOM 1002 N PHE A 68 -0.820 0.286 -7.798 1.00 0.00 N ATOM 1003 CA PHE A 68 -0.308 1.651 -7.767 1.00 0.00 C ATOM 1004 C PHE A 68 -0.485 2.329 -9.122 1.00 0.00 C ATOM 1005 O PHE A 68 -0.858 3.500 -9.200 1.00 0.00 O ATOM 1006 CB PHE A 68 1.169 1.656 -7.370 1.00 0.00 C ATOM 1007 CG PHE A 68 1.691 3.019 -7.014 1.00 0.00 C ATOM 1008 CD1 PHE A 68 1.125 3.741 -5.976 1.00 0.00 C ATOM 1009 CD2 PHE A 68 2.746 3.577 -7.717 1.00 0.00 C ATOM 1010 CE1 PHE A 68 1.602 4.996 -5.647 1.00 0.00 C ATOM 1011 CE2 PHE A 68 3.228 4.831 -7.392 1.00 0.00 C ATOM 1012 CZ PHE A 68 2.656 5.541 -6.355 1.00 0.00 C ATOM 0 H PHE A 68 -0.156 -0.421 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.878 2.209 -7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.310 0.988 -6.520 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.759 1.254 -8.193 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.302 3.319 -5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.197 3.026 -8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.151 5.550 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.051 5.255 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.032 6.520 -6.098 1.00 0.00 H new ATOM 1022 N VAL A 69 -0.213 1.585 -10.190 1.00 0.00 N ATOM 1023 CA VAL A 69 -0.342 2.113 -11.543 1.00 0.00 C ATOM 1024 C VAL A 69 -1.801 2.387 -11.889 1.00 0.00 C ATOM 1025 O VAL A 69 -2.143 3.462 -12.382 1.00 0.00 O ATOM 1026 CB VAL A 69 0.247 1.141 -12.582 1.00 0.00 C ATOM 1027 CG1 VAL A 69 0.149 1.731 -13.981 1.00 0.00 C ATOM 1028 CG2 VAL A 69 1.690 0.803 -12.238 1.00 0.00 C ATOM 0 H VAL A 69 0.098 0.615 -10.144 1.00 0.00 H new ATOM 0 HA VAL A 69 0.217 3.048 -11.573 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.333 0.219 -12.560 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.570 1.030 -14.702 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.897 1.918 -14.225 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.704 2.669 -14.020 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.090 0.115 -12.983 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.286 1.716 -12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.730 0.336 -11.254 1.00 0.00 H new ATOM 1038 N LYS A 70 -2.660 1.407 -11.627 1.00 0.00 N ATOM 1039 CA LYS A 70 -4.084 1.542 -11.909 1.00 0.00 C ATOM 1040 C LYS A 70 -4.676 2.734 -11.164 1.00 0.00 C ATOM 1041 O LYS A 70 -5.369 3.563 -11.751 1.00 0.00 O ATOM 1042 CB LYS A 70 -4.826 0.262 -11.516 1.00 0.00 C ATOM 1043 CG LYS A 70 -4.533 -0.916 -12.430 1.00 0.00 C ATOM 1044 CD LYS A 70 -5.669 -1.924 -12.421 1.00 0.00 C ATOM 1045 CE LYS A 70 -5.484 -2.982 -13.497 1.00 0.00 C ATOM 1046 NZ LYS A 70 -4.590 -4.084 -13.044 1.00 0.00 N ATOM 0 H LYS A 70 -2.394 0.510 -11.220 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.202 1.710 -12.979 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.556 -0.006 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.898 0.457 -11.521 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.371 -0.558 -13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.611 -1.403 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.724 -2.403 -11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.616 -1.408 -12.576 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.455 -3.393 -13.773 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.067 -2.521 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.489 -4.785 -13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.655 -3.696 -12.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.000 -4.541 -12.205 1.00 0.00 H new ATOM 1060 N ASN A 71 -4.395 2.814 -9.867 1.00 0.00 N ATOM 1061 CA ASN A 71 -4.900 3.906 -9.042 1.00 0.00 C ATOM 1062 C ASN A 71 -3.891 5.048 -8.976 1.00 0.00 C ATOM 1063 O ASN A 71 -3.786 5.740 -7.963 1.00 0.00 O ATOM 1064 CB ASN A 71 -5.212 3.404 -7.631 1.00 0.00 C ATOM 1065 CG ASN A 71 -6.447 2.525 -7.590 1.00 0.00 C ATOM 1066 OD1 ASN A 71 -7.398 2.735 -8.342 1.00 0.00 O ATOM 1067 ND2 ASN A 71 -6.437 1.532 -6.707 1.00 0.00 N ATOM 0 H ASN A 71 -3.821 2.136 -9.365 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.817 4.280 -9.498 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.358 2.844 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.355 4.257 -6.968 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.240 0.907 -6.633 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.627 1.395 -6.103 1.00 0.00 H new ATOM 1074 N ARG A 72 -3.152 5.241 -10.064 1.00 0.00 N ATOM 1075 CA ARG A 72 -2.151 6.299 -10.129 1.00 0.00 C ATOM 1076 C ARG A 72 -2.813 7.666 -10.280 1.00 0.00 C ATOM 1077 O ARG A 72 -2.453 8.619 -9.591 1.00 0.00 O ATOM 1078 CB ARG A 72 -1.194 6.053 -11.297 1.00 0.00 C ATOM 1079 CG ARG A 72 -1.844 6.212 -12.662 1.00 0.00 C ATOM 1080 CD ARG A 72 -0.882 5.852 -13.783 1.00 0.00 C ATOM 1081 NE ARG A 72 -1.197 6.558 -15.022 1.00 0.00 N ATOM 1082 CZ ARG A 72 -0.903 7.835 -15.235 1.00 0.00 C ATOM 1083 NH1 ARG A 72 -0.291 8.544 -14.297 1.00 0.00 N ATOM 1084 NH2 ARG A 72 -1.222 8.407 -16.389 1.00 0.00 N ATOM 0 H ARG A 72 -3.228 4.679 -10.912 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.587 6.289 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.356 6.745 -11.221 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.785 5.046 -11.214 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.728 5.577 -12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.182 7.241 -12.788 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.136 6.092 -13.478 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.917 4.777 -13.959 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.669 6.042 -15.764 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.044 8.109 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.067 9.525 -14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.694 7.866 -17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.996 9.388 -16.552 1.00 0.00 H new ATOM 1098 N GLU A 73 -3.783 7.751 -11.185 1.00 0.00 N ATOM 1099 CA GLU A 73 -4.494 9.001 -11.426 1.00 0.00 C ATOM 1100 C GLU A 73 -5.345 9.385 -10.219 1.00 0.00 C ATOM 1101 O GLU A 73 -5.330 10.533 -9.777 1.00 0.00 O ATOM 1102 CB GLU A 73 -5.379 8.879 -12.669 1.00 0.00 C ATOM 1103 CG GLU A 73 -6.479 7.840 -12.533 1.00 0.00 C ATOM 1104 CD GLU A 73 -7.355 7.753 -13.768 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -6.915 7.145 -14.766 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -8.481 8.293 -13.735 1.00 0.00 O ATOM 0 H GLU A 73 -4.094 6.970 -11.763 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.754 9.784 -11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.831 9.848 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.755 8.625 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.031 6.865 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.098 8.083 -11.669 1.00 0.00 H new ATOM 1113 N GLU A 74 -6.086 8.415 -9.692 1.00 0.00 N ATOM 1114 CA GLU A 74 -6.943 8.651 -8.537 1.00 0.00 C ATOM 1115 C GLU A 74 -6.118 9.067 -7.322 1.00 0.00 C ATOM 1116 O GLU A 74 -6.419 10.064 -6.665 1.00 0.00 O ATOM 1117 CB GLU A 74 -7.755 7.396 -8.211 1.00 0.00 C ATOM 1118 CG GLU A 74 -8.835 7.624 -7.166 1.00 0.00 C ATOM 1119 CD GLU A 74 -9.640 6.372 -6.877 1.00 0.00 C ATOM 1120 OE1 GLU A 74 -9.116 5.478 -6.180 1.00 0.00 O ATOM 1121 OE2 GLU A 74 -10.793 6.285 -7.348 1.00 0.00 O ATOM 0 H GLU A 74 -6.110 7.459 -10.047 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.627 9.463 -8.785 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.218 7.026 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.079 6.617 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.374 7.976 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.506 8.412 -7.508 1.00 0.00 H new ATOM 1128 N LEU A 75 -5.077 8.295 -7.030 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.207 8.582 -5.894 1.00 0.00 C ATOM 1130 C LEU A 75 -3.582 9.967 -6.023 1.00 0.00 C ATOM 1131 O LEU A 75 -3.346 10.648 -5.026 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.109 7.522 -5.788 1.00 0.00 C ATOM 1133 CG LEU A 75 -3.513 6.202 -5.130 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -2.383 5.189 -5.231 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -3.902 6.427 -3.677 1.00 0.00 C ATOM 0 H LEU A 75 -4.815 7.466 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.813 8.561 -4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.741 7.307 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.276 7.945 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.379 5.804 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.688 4.256 -4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.152 5.005 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.498 5.579 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.186 5.477 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.055 6.848 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.743 7.118 -3.628 1.00 0.00 H new ATOM 1147 N GLY A 76 -3.318 10.379 -7.259 1.00 0.00 N ATOM 1148 CA GLY A 76 -2.725 11.683 -7.496 1.00 0.00 C ATOM 1149 C GLY A 76 -1.237 11.600 -7.773 1.00 0.00 C ATOM 1150 O GLY A 76 -0.458 12.408 -7.265 1.00 0.00 O ATOM 0 H GLY A 76 -3.504 9.833 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.223 12.157 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.895 12.320 -6.628 1.00 0.00 H new ATOM 1154 N PHE A 77 -0.840 10.621 -8.578 1.00 0.00 N ATOM 1155 CA PHE A 77 0.566 10.434 -8.920 1.00 0.00 C ATOM 1156 C PHE A 77 0.962 11.321 -10.097 1.00 0.00 C ATOM 1157 O PHE A 77 0.678 11.001 -11.251 1.00 0.00 O ATOM 1158 CB PHE A 77 0.840 8.967 -9.256 1.00 0.00 C ATOM 1159 CG PHE A 77 2.262 8.551 -9.006 1.00 0.00 C ATOM 1160 CD1 PHE A 77 2.832 8.705 -7.753 1.00 0.00 C ATOM 1161 CD2 PHE A 77 3.027 8.005 -10.024 1.00 0.00 C ATOM 1162 CE1 PHE A 77 4.140 8.323 -7.520 1.00 0.00 C ATOM 1163 CE2 PHE A 77 4.335 7.621 -9.797 1.00 0.00 C ATOM 1164 CZ PHE A 77 4.892 7.779 -8.543 1.00 0.00 C ATOM 0 H PHE A 77 -1.472 9.944 -9.006 1.00 0.00 H new ATOM 0 HA PHE A 77 1.166 10.719 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.176 8.337 -8.664 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.597 8.791 -10.304 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.248 9.128 -6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.596 7.878 -11.006 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.574 8.450 -6.539 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.921 7.198 -10.599 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.913 7.478 -8.363 1.00 0.00 H new ATOM 1174 N ARG A 78 1.619 12.436 -9.795 1.00 0.00 N ATOM 1175 CA ARG A 78 2.053 13.370 -10.827 1.00 0.00 C ATOM 1176 C ARG A 78 2.843 12.649 -11.916 1.00 0.00 C ATOM 1177 O ARG A 78 3.448 11.602 -11.687 1.00 0.00 O ATOM 1178 CB ARG A 78 2.907 14.481 -10.214 1.00 0.00 C ATOM 1179 CG ARG A 78 2.147 15.365 -9.238 1.00 0.00 C ATOM 1180 CD ARG A 78 1.228 16.334 -9.965 1.00 0.00 C ATOM 1181 NE ARG A 78 1.932 17.539 -10.394 1.00 0.00 N ATOM 1182 CZ ARG A 78 1.319 18.623 -10.856 1.00 0.00 C ATOM 1183 NH1 ARG A 78 -0.004 18.653 -10.947 1.00 0.00 N ATOM 1184 NH2 ARG A 78 2.028 19.681 -11.227 1.00 0.00 N ATOM 0 H ARG A 78 1.862 12.715 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 78 1.164 13.811 -11.278 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.757 14.032 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.311 15.101 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.560 14.743 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.854 15.923 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.794 15.839 -10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.402 16.611 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 78 2.950 17.549 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.553 17.842 -10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.472 19.487 -11.302 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.045 19.663 -11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.556 20.513 -11.582 1.00 0.00 H new ATOM 1198 N PRO A 79 2.836 13.221 -13.129 1.00 0.00 N ATOM 1199 CA PRO A 79 3.547 12.650 -14.277 1.00 0.00 C ATOM 1200 C PRO A 79 5.062 12.750 -14.130 1.00 0.00 C ATOM 1201 O PRO A 79 5.804 11.958 -14.710 1.00 0.00 O ATOM 1202 CB PRO A 79 3.066 13.504 -15.453 1.00 0.00 C ATOM 1203 CG PRO A 79 2.669 14.802 -14.840 1.00 0.00 C ATOM 1204 CD PRO A 79 2.136 14.469 -13.474 1.00 0.00 C ATOM 0 HA PRO A 79 3.343 11.586 -14.394 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.855 13.640 -16.192 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.226 13.035 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.521 15.478 -14.772 1.00 0.00 H new ATOM 0 HG3 PRO A 79 1.912 15.303 -15.443 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.349 15.261 -12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 79 1.055 14.333 -13.487 1.00 0.00 H new ATOM 1212 N GLU A 80 5.512 13.728 -13.350 1.00 0.00 N ATOM 1213 CA GLU A 80 6.939 13.931 -13.128 1.00 0.00 C ATOM 1214 C GLU A 80 7.455 13.005 -12.030 1.00 0.00 C ATOM 1215 O GLU A 80 8.411 13.332 -11.326 1.00 0.00 O ATOM 1216 CB GLU A 80 7.218 15.388 -12.755 1.00 0.00 C ATOM 1217 CG GLU A 80 6.502 15.841 -11.493 1.00 0.00 C ATOM 1218 CD GLU A 80 6.439 17.351 -11.368 1.00 0.00 C ATOM 1219 OE1 GLU A 80 7.422 17.948 -10.882 1.00 0.00 O ATOM 1220 OE2 GLU A 80 5.405 17.934 -11.756 1.00 0.00 O ATOM 0 H GLU A 80 4.910 14.391 -12.862 1.00 0.00 H new ATOM 0 HA GLU A 80 7.462 13.695 -14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.292 15.521 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.918 16.030 -13.583 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.490 15.437 -11.489 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.012 15.429 -10.622 1.00 0.00 H new ATOM 1227 N TYR A 81 6.816 11.849 -11.889 1.00 0.00 N ATOM 1228 CA TYR A 81 7.208 10.878 -10.876 1.00 0.00 C ATOM 1229 C TYR A 81 7.649 9.566 -11.519 1.00 0.00 C ATOM 1230 O TYR A 81 6.982 9.046 -12.413 1.00 0.00 O ATOM 1231 CB TYR A 81 6.049 10.620 -9.911 1.00 0.00 C ATOM 1232 CG TYR A 81 5.899 11.685 -8.847 1.00 0.00 C ATOM 1233 CD1 TYR A 81 7.006 12.168 -8.160 1.00 0.00 C ATOM 1234 CD2 TYR A 81 4.651 12.206 -8.529 1.00 0.00 C ATOM 1235 CE1 TYR A 81 6.874 13.140 -7.187 1.00 0.00 C ATOM 1236 CE2 TYR A 81 4.510 13.180 -7.559 1.00 0.00 C ATOM 1237 CZ TYR A 81 5.624 13.643 -6.890 1.00 0.00 C ATOM 1238 OH TYR A 81 5.487 14.611 -5.922 1.00 0.00 O ATOM 0 H TYR A 81 6.024 11.562 -12.464 1.00 0.00 H new ATOM 0 HA TYR A 81 8.050 11.291 -10.321 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.122 10.553 -10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.197 9.654 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.986 11.777 -8.390 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.776 11.844 -9.049 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.745 13.504 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.533 13.577 -7.326 1.00 0.00 H new ATOM 0 HH TYR A 81 4.542 14.857 -5.837 1.00 0.00 H new ATOM 1248 N SER A 82 8.777 9.038 -11.057 1.00 0.00 N ATOM 1249 CA SER A 82 9.310 7.789 -11.588 1.00 0.00 C ATOM 1250 C SER A 82 9.691 6.836 -10.459 1.00 0.00 C ATOM 1251 O SER A 82 9.737 7.226 -9.293 1.00 0.00 O ATOM 1252 CB SER A 82 10.529 8.065 -12.471 1.00 0.00 C ATOM 1253 OG SER A 82 10.247 9.067 -13.432 1.00 0.00 O ATOM 0 H SER A 82 9.340 9.455 -10.316 1.00 0.00 H new ATOM 0 HA SER A 82 8.533 7.318 -12.190 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.368 8.378 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.831 7.147 -12.976 1.00 0.00 H new ATOM 0 HG SER A 82 11.042 9.226 -13.982 1.00 0.00 H new ATOM 1259 N ALA A 83 9.962 5.585 -10.815 1.00 0.00 N ATOM 1260 CA ALA A 83 10.341 4.576 -9.834 1.00 0.00 C ATOM 1261 C ALA A 83 11.688 4.905 -9.200 1.00 0.00 C ATOM 1262 O ALA A 83 11.839 4.858 -7.980 1.00 0.00 O ATOM 1263 CB ALA A 83 10.381 3.200 -10.480 1.00 0.00 C ATOM 0 H ALA A 83 9.926 5.246 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 83 9.589 4.572 -9.045 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.666 2.457 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.396 2.956 -10.878 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.110 3.199 -11.290 1.00 0.00 H new ATOM 1269 N SER A 84 12.666 5.237 -10.038 1.00 0.00 N ATOM 1270 CA SER A 84 14.003 5.568 -9.560 1.00 0.00 C ATOM 1271 C SER A 84 13.933 6.509 -8.361 1.00 0.00 C ATOM 1272 O SER A 84 14.715 6.388 -7.418 1.00 0.00 O ATOM 1273 CB SER A 84 14.823 6.212 -10.680 1.00 0.00 C ATOM 1274 OG SER A 84 16.185 6.332 -10.311 1.00 0.00 O ATOM 0 H SER A 84 12.557 5.284 -11.051 1.00 0.00 H new ATOM 0 HA SER A 84 14.490 4.644 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.740 5.612 -11.586 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.418 7.197 -10.911 1.00 0.00 H new ATOM 0 HG SER A 84 16.687 6.745 -11.044 1.00 0.00 H new ATOM 1280 N GLN A 85 12.991 7.445 -8.405 1.00 0.00 N ATOM 1281 CA GLN A 85 12.819 8.407 -7.323 1.00 0.00 C ATOM 1282 C GLN A 85 12.209 7.740 -6.094 1.00 0.00 C ATOM 1283 O GLN A 85 12.562 8.065 -4.959 1.00 0.00 O ATOM 1284 CB GLN A 85 11.934 9.568 -7.780 1.00 0.00 C ATOM 1285 CG GLN A 85 12.710 10.711 -8.414 1.00 0.00 C ATOM 1286 CD GLN A 85 12.059 12.060 -8.178 1.00 0.00 C ATOM 1287 OE1 GLN A 85 12.203 12.653 -7.109 1.00 0.00 O ATOM 1288 NE2 GLN A 85 11.337 12.552 -9.178 1.00 0.00 N ATOM 0 H GLN A 85 12.335 7.558 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 85 13.802 8.793 -7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.202 9.196 -8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.377 9.949 -6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.723 10.725 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.796 10.536 -9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.244 12.026 -10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.875 13.456 -9.077 1.00 0.00 H new ATOM 1297 N LEU A 86 11.292 6.808 -6.327 1.00 0.00 N ATOM 1298 CA LEU A 86 10.632 6.095 -5.238 1.00 0.00 C ATOM 1299 C LEU A 86 11.656 5.483 -4.288 1.00 0.00 C ATOM 1300 O LEU A 86 12.235 4.434 -4.573 1.00 0.00 O ATOM 1301 CB LEU A 86 9.721 5.001 -5.798 1.00 0.00 C ATOM 1302 CG LEU A 86 8.576 5.474 -6.693 1.00 0.00 C ATOM 1303 CD1 LEU A 86 7.900 4.290 -7.367 1.00 0.00 C ATOM 1304 CD2 LEU A 86 7.566 6.279 -5.888 1.00 0.00 C ATOM 0 H LEU A 86 10.988 6.528 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 86 10.029 6.811 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.334 4.301 -6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.296 4.446 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 86 8.990 6.119 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.088 4.647 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.627 3.755 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.500 3.619 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.758 6.607 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.158 5.658 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.058 7.149 -5.454 1.00 0.00 H new ATOM 1316 N LYS A 87 11.875 6.145 -3.157 1.00 0.00 N ATOM 1317 CA LYS A 87 12.827 5.665 -2.161 1.00 0.00 C ATOM 1318 C LYS A 87 12.766 4.146 -2.038 1.00 0.00 C ATOM 1319 O LYS A 87 11.714 3.580 -1.742 1.00 0.00 O ATOM 1320 CB LYS A 87 12.544 6.310 -0.803 1.00 0.00 C ATOM 1321 CG LYS A 87 13.695 6.189 0.180 1.00 0.00 C ATOM 1322 CD LYS A 87 13.553 7.173 1.329 1.00 0.00 C ATOM 1323 CE LYS A 87 12.594 6.656 2.390 1.00 0.00 C ATOM 1324 NZ LYS A 87 13.218 5.602 3.237 1.00 0.00 N ATOM 0 H LYS A 87 11.406 7.016 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 87 13.829 5.945 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.314 7.365 -0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.657 5.849 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.734 5.173 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.637 6.367 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.530 7.354 1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.195 8.129 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.270 7.484 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.702 6.254 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.584 5.373 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.381 4.749 2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.126 5.948 3.609 1.00 0.00 H new ATOM 1338 N GLY A 88 13.901 3.492 -2.265 1.00 0.00 N ATOM 1339 CA GLY A 88 13.954 2.045 -2.172 1.00 0.00 C ATOM 1340 C GLY A 88 14.185 1.386 -3.517 1.00 0.00 C ATOM 1341 O GLY A 88 14.915 0.399 -3.617 1.00 0.00 O ATOM 0 H GLY A 88 14.784 3.938 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.752 1.757 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.021 1.677 -1.746 1.00 0.00 H new ATOM 1345 N PHE A 89 13.561 1.931 -4.556 1.00 0.00 N ATOM 1346 CA PHE A 89 13.700 1.388 -5.903 1.00 0.00 C ATOM 1347 C PHE A 89 15.110 0.848 -6.129 1.00 0.00 C ATOM 1348 O PHE A 89 15.290 -0.313 -6.495 1.00 0.00 O ATOM 1349 CB PHE A 89 13.380 2.462 -6.944 1.00 0.00 C ATOM 1350 CG PHE A 89 13.646 2.026 -8.357 1.00 0.00 C ATOM 1351 CD1 PHE A 89 12.707 1.285 -9.055 1.00 0.00 C ATOM 1352 CD2 PHE A 89 14.836 2.357 -8.986 1.00 0.00 C ATOM 1353 CE1 PHE A 89 12.950 0.881 -10.355 1.00 0.00 C ATOM 1354 CE2 PHE A 89 15.084 1.957 -10.285 1.00 0.00 C ATOM 1355 CZ PHE A 89 14.139 1.219 -10.971 1.00 0.00 C ATOM 0 H PHE A 89 12.954 2.748 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 89 12.993 0.565 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 89 12.332 2.746 -6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 89 13.971 3.352 -6.730 1.00 0.00 H new ATOM 0 HD1 PHE A 89 11.775 1.020 -8.579 1.00 0.00 H new ATOM 0 HD2 PHE A 89 15.578 2.934 -8.454 1.00 0.00 H new ATOM 0 HE1 PHE A 89 12.211 0.302 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE A 89 16.016 2.221 -10.763 1.00 0.00 H new ATOM 0 HZ PHE A 89 14.330 0.907 -11.987 1.00 0.00 H new ATOM 1365 N SER A 90 16.105 1.701 -5.908 1.00 0.00 N ATOM 1366 CA SER A 90 17.499 1.312 -6.091 1.00 0.00 C ATOM 1367 C SER A 90 17.822 0.054 -5.291 1.00 0.00 C ATOM 1368 O SER A 90 18.515 -0.842 -5.774 1.00 0.00 O ATOM 1369 CB SER A 90 18.428 2.452 -5.668 1.00 0.00 C ATOM 1370 OG SER A 90 19.783 2.036 -5.678 1.00 0.00 O ATOM 0 H SER A 90 15.972 2.665 -5.602 1.00 0.00 H new ATOM 0 HA SER A 90 17.655 1.099 -7.148 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.299 3.299 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 90 18.157 2.795 -4.669 1.00 0.00 H new ATOM 0 HG SER A 90 20.356 2.783 -5.406 1.00 0.00 H new ATOM 1376 N LEU A 91 17.315 -0.006 -4.065 1.00 0.00 N ATOM 1377 CA LEU A 91 17.548 -1.154 -3.195 1.00 0.00 C ATOM 1378 C LEU A 91 16.991 -2.430 -3.817 1.00 0.00 C ATOM 1379 O LEU A 91 17.629 -3.483 -3.777 1.00 0.00 O ATOM 1380 CB LEU A 91 16.909 -0.919 -1.825 1.00 0.00 C ATOM 1381 CG LEU A 91 17.386 0.319 -1.065 1.00 0.00 C ATOM 1382 CD1 LEU A 91 16.689 0.419 0.283 1.00 0.00 C ATOM 1383 CD2 LEU A 91 18.897 0.284 -0.885 1.00 0.00 C ATOM 0 H LEU A 91 16.740 0.727 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 91 18.624 -1.272 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.830 -0.846 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 91 17.095 -1.796 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 91 17.130 1.202 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.041 1.306 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.612 0.491 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.914 -0.468 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 91 19.219 1.173 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 19.176 -0.606 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 91 19.379 0.261 -1.862 1.00 0.00 H new ATOM 1395 N LEU A 92 15.798 -2.329 -4.393 1.00 0.00 N ATOM 1396 CA LEU A 92 15.155 -3.475 -5.026 1.00 0.00 C ATOM 1397 C LEU A 92 16.094 -4.143 -6.026 1.00 0.00 C ATOM 1398 O LEU A 92 17.165 -3.620 -6.331 1.00 0.00 O ATOM 1399 CB LEU A 92 13.869 -3.039 -5.730 1.00 0.00 C ATOM 1400 CG LEU A 92 12.850 -2.294 -4.866 1.00 0.00 C ATOM 1401 CD1 LEU A 92 11.638 -1.895 -5.693 1.00 0.00 C ATOM 1402 CD2 LEU A 92 12.431 -3.149 -3.679 1.00 0.00 C ATOM 0 H LEU A 92 15.257 -1.466 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 92 14.909 -4.198 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.138 -2.400 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.387 -3.925 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 92 13.319 -1.386 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.924 -1.366 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.952 -1.244 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.167 -2.788 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.706 -2.603 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.981 -4.075 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.306 -3.383 -3.072 1.00 0.00 H new ATOM 1414 N ALA A 93 15.682 -5.299 -6.536 1.00 0.00 N ATOM 1415 CA ALA A 93 16.484 -6.036 -7.504 1.00 0.00 C ATOM 1416 C ALA A 93 16.397 -5.398 -8.887 1.00 0.00 C ATOM 1417 O ALA A 93 15.378 -4.809 -9.248 1.00 0.00 O ATOM 1418 CB ALA A 93 16.038 -7.489 -7.562 1.00 0.00 C ATOM 0 H ALA A 93 14.797 -5.745 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 93 17.524 -6.000 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.646 -8.027 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 93 16.158 -7.946 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.990 -7.536 -7.859 1.00 0.00 H new ATOM 1424 N THR A 94 17.473 -5.519 -9.658 1.00 0.00 N ATOM 1425 CA THR A 94 17.519 -4.953 -11.000 1.00 0.00 C ATOM 1426 C THR A 94 16.348 -5.443 -11.844 1.00 0.00 C ATOM 1427 O THR A 94 15.631 -4.647 -12.448 1.00 0.00 O ATOM 1428 CB THR A 94 18.837 -5.308 -11.715 1.00 0.00 C ATOM 1429 OG1 THR A 94 19.952 -4.853 -10.941 1.00 0.00 O ATOM 1430 CG2 THR A 94 18.886 -4.683 -13.101 1.00 0.00 C ATOM 0 H THR A 94 18.325 -6.004 -9.376 1.00 0.00 H new ATOM 0 HA THR A 94 17.455 -3.871 -10.889 1.00 0.00 H new ATOM 0 HB THR A 94 18.887 -6.392 -11.821 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.786 -5.084 -11.401 1.00 0.00 H new ATOM 0 HG21 THR A 94 19.825 -4.947 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 94 18.052 -5.054 -13.697 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.815 -3.599 -13.014 1.00 0.00 H new ATOM 1438 N GLU A 95 16.161 -6.759 -11.880 1.00 0.00 N ATOM 1439 CA GLU A 95 15.076 -7.354 -12.651 1.00 0.00 C ATOM 1440 C GLU A 95 13.743 -6.689 -12.318 1.00 0.00 C ATOM 1441 O GLU A 95 13.094 -6.105 -13.186 1.00 0.00 O ATOM 1442 CB GLU A 95 14.991 -8.857 -12.378 1.00 0.00 C ATOM 1443 CG GLU A 95 15.927 -9.687 -13.240 1.00 0.00 C ATOM 1444 CD GLU A 95 17.308 -9.831 -12.631 1.00 0.00 C ATOM 1445 OE1 GLU A 95 17.893 -8.800 -12.238 1.00 0.00 O ATOM 1446 OE2 GLU A 95 17.804 -10.974 -12.546 1.00 0.00 O ATOM 0 H GLU A 95 16.746 -7.432 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 95 15.287 -7.196 -13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.220 -9.040 -11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.967 -9.190 -12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.495 -10.677 -13.390 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.014 -9.225 -14.224 1.00 0.00 H new ATOM 1453 N ASP A 96 13.341 -6.784 -11.055 1.00 0.00 N ATOM 1454 CA ASP A 96 12.087 -6.192 -10.606 1.00 0.00 C ATOM 1455 C ASP A 96 12.039 -4.703 -10.936 1.00 0.00 C ATOM 1456 O ASP A 96 11.042 -4.203 -11.457 1.00 0.00 O ATOM 1457 CB ASP A 96 11.911 -6.399 -9.100 1.00 0.00 C ATOM 1458 CG ASP A 96 11.581 -7.836 -8.748 1.00 0.00 C ATOM 1459 OD1 ASP A 96 12.348 -8.737 -9.149 1.00 0.00 O ATOM 1460 OD2 ASP A 96 10.556 -8.060 -8.071 1.00 0.00 O ATOM 0 H ASP A 96 13.866 -7.265 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 96 11.271 -6.688 -11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.826 -6.103 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.116 -5.747 -8.737 1.00 0.00 H new ATOM 1465 N LYS A 97 13.123 -4.000 -10.629 1.00 0.00 N ATOM 1466 CA LYS A 97 13.207 -2.568 -10.893 1.00 0.00 C ATOM 1467 C LYS A 97 12.831 -2.258 -12.338 1.00 0.00 C ATOM 1468 O LYS A 97 11.879 -1.523 -12.597 1.00 0.00 O ATOM 1469 CB LYS A 97 14.619 -2.056 -10.601 1.00 0.00 C ATOM 1470 CG LYS A 97 14.812 -1.584 -9.170 1.00 0.00 C ATOM 1471 CD LYS A 97 16.233 -1.822 -8.690 1.00 0.00 C ATOM 1472 CE LYS A 97 17.127 -0.626 -8.980 1.00 0.00 C ATOM 1473 NZ LYS A 97 17.684 -0.672 -10.361 1.00 0.00 N ATOM 0 H LYS A 97 13.957 -4.398 -10.197 1.00 0.00 H new ATOM 0 HA LYS A 97 12.501 -2.061 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.335 -2.850 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.846 -1.234 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.577 -0.522 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.114 -2.107 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.228 -2.022 -7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.639 -2.708 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.557 0.294 -8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.944 -0.600 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.301 0.151 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.235 -1.545 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.905 -0.654 -11.050 1.00 0.00 H new ATOM 1487 N GLU A 98 13.585 -2.825 -13.275 1.00 0.00 N ATOM 1488 CA GLU A 98 13.329 -2.609 -14.695 1.00 0.00 C ATOM 1489 C GLU A 98 11.834 -2.672 -14.994 1.00 0.00 C ATOM 1490 O GLU A 98 11.309 -1.862 -15.757 1.00 0.00 O ATOM 1491 CB GLU A 98 14.073 -3.650 -15.534 1.00 0.00 C ATOM 1492 CG GLU A 98 15.585 -3.553 -15.424 1.00 0.00 C ATOM 1493 CD GLU A 98 16.284 -4.831 -15.845 1.00 0.00 C ATOM 1494 OE1 GLU A 98 15.616 -5.886 -15.884 1.00 0.00 O ATOM 1495 OE2 GLU A 98 17.497 -4.777 -16.135 1.00 0.00 O ATOM 0 H GLU A 98 14.377 -3.437 -13.077 1.00 0.00 H new ATOM 0 HA GLU A 98 13.692 -1.615 -14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.758 -4.646 -15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.785 -3.535 -16.579 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.938 -2.729 -16.044 1.00 0.00 H new ATOM 0 HG3 GLU A 98 15.856 -3.317 -14.395 1.00 0.00 H new ATOM 1502 N ALA A 99 11.156 -3.640 -14.387 1.00 0.00 N ATOM 1503 CA ALA A 99 9.722 -3.808 -14.587 1.00 0.00 C ATOM 1504 C ALA A 99 8.969 -2.519 -14.278 1.00 0.00 C ATOM 1505 O ALA A 99 8.140 -2.067 -15.069 1.00 0.00 O ATOM 1506 CB ALA A 99 9.199 -4.947 -13.723 1.00 0.00 C ATOM 0 H ALA A 99 11.576 -4.320 -13.753 1.00 0.00 H new ATOM 0 HA ALA A 99 9.553 -4.054 -15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.127 -5.062 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.707 -5.872 -13.994 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.388 -4.724 -12.673 1.00 0.00 H new ATOM 1512 N LEU A 100 9.262 -1.930 -13.123 1.00 0.00 N ATOM 1513 CA LEU A 100 8.612 -0.692 -12.709 1.00 0.00 C ATOM 1514 C LEU A 100 8.867 0.421 -13.720 1.00 0.00 C ATOM 1515 O LEU A 100 7.931 1.025 -14.244 1.00 0.00 O ATOM 1516 CB LEU A 100 9.114 -0.267 -11.328 1.00 0.00 C ATOM 1517 CG LEU A 100 8.518 -1.017 -10.137 1.00 0.00 C ATOM 1518 CD1 LEU A 100 9.217 -0.615 -8.848 1.00 0.00 C ATOM 1519 CD2 LEU A 100 7.022 -0.757 -10.038 1.00 0.00 C ATOM 0 H LEU A 100 9.946 -2.290 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 100 7.538 -0.873 -12.659 1.00 0.00 H new ATOM 0 HB2 LEU A 100 10.197 -0.389 -11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.910 0.796 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 100 8.672 -2.085 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.779 -1.159 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.278 -0.853 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.096 0.456 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.614 -1.299 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.846 0.311 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.532 -1.097 -10.951 1.00 0.00 H new ATOM 1531 N LYS A 101 10.140 0.687 -13.992 1.00 0.00 N ATOM 1532 CA LYS A 101 10.520 1.725 -14.943 1.00 0.00 C ATOM 1533 C LYS A 101 9.544 1.774 -16.113 1.00 0.00 C ATOM 1534 O LYS A 101 9.060 2.842 -16.487 1.00 0.00 O ATOM 1535 CB LYS A 101 11.940 1.478 -15.459 1.00 0.00 C ATOM 1536 CG LYS A 101 12.996 1.498 -14.367 1.00 0.00 C ATOM 1537 CD LYS A 101 14.372 1.814 -14.929 1.00 0.00 C ATOM 1538 CE LYS A 101 15.013 0.585 -15.556 1.00 0.00 C ATOM 1539 NZ LYS A 101 16.257 0.928 -16.300 1.00 0.00 N ATOM 0 H LYS A 101 10.927 0.197 -13.567 1.00 0.00 H new ATOM 0 HA LYS A 101 10.490 2.685 -14.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.971 0.513 -15.965 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.184 2.236 -16.203 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.729 2.241 -13.615 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.020 0.531 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.289 2.603 -15.676 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.013 2.194 -14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.244 -0.142 -14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.303 0.111 -16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.664 0.064 -16.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.033 1.602 -17.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.944 1.357 -15.648 1.00 0.00 H new ATOM 1553 N LYS A 102 9.256 0.610 -16.687 1.00 0.00 N ATOM 1554 CA LYS A 102 8.335 0.519 -17.814 1.00 0.00 C ATOM 1555 C LYS A 102 6.928 0.938 -17.401 1.00 0.00 C ATOM 1556 O LYS A 102 6.220 1.600 -18.159 1.00 0.00 O ATOM 1557 CB LYS A 102 8.313 -0.908 -18.367 1.00 0.00 C ATOM 1558 CG LYS A 102 9.482 -1.223 -19.282 1.00 0.00 C ATOM 1559 CD LYS A 102 9.411 -2.647 -19.808 1.00 0.00 C ATOM 1560 CE LYS A 102 8.640 -2.720 -21.117 1.00 0.00 C ATOM 1561 NZ LYS A 102 7.187 -2.959 -20.893 1.00 0.00 N ATOM 0 H LYS A 102 9.648 -0.284 -16.390 1.00 0.00 H new ATOM 0 HA LYS A 102 8.683 1.198 -18.592 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.314 -1.611 -17.534 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.383 -1.063 -18.914 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.488 -0.525 -20.119 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.417 -1.080 -18.741 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.420 -3.032 -19.957 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.932 -3.286 -19.066 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.774 -1.790 -21.670 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.048 -3.520 -21.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.839 -3.653 -21.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.040 -3.325 -19.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.667 -2.066 -21.007 1.00 0.00 H new ATOM 1575 N GLN A 103 6.529 0.548 -16.194 1.00 0.00 N ATOM 1576 CA GLN A 103 5.206 0.885 -15.681 1.00 0.00 C ATOM 1577 C GLN A 103 5.079 2.386 -15.447 1.00 0.00 C ATOM 1578 O GLN A 103 4.121 3.016 -15.897 1.00 0.00 O ATOM 1579 CB GLN A 103 4.933 0.129 -14.380 1.00 0.00 C ATOM 1580 CG GLN A 103 4.496 -1.311 -14.593 1.00 0.00 C ATOM 1581 CD GLN A 103 4.141 -2.012 -13.296 1.00 0.00 C ATOM 1582 OE1 GLN A 103 5.151 -2.298 -12.482 1.00 0.00 O flip ATOM 1583 NE2 GLN A 103 2.973 -2.293 -13.027 1.00 0.00 N flip ATOM 0 H GLN A 103 7.103 -0.001 -15.554 1.00 0.00 H new ATOM 0 HA GLN A 103 4.468 0.589 -16.427 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.835 0.139 -13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.161 0.655 -13.819 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.634 -1.330 -15.259 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.296 -1.859 -15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.228 -2.055 -13.681 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.751 -2.764 -12.150 1.00 0.00 H new ATOM 1592 N LEU A 104 6.050 2.955 -14.741 1.00 0.00 N ATOM 1593 CA LEU A 104 6.046 4.383 -14.447 1.00 0.00 C ATOM 1594 C LEU A 104 7.235 5.078 -15.104 1.00 0.00 C ATOM 1595 O LEU A 104 8.217 5.432 -14.452 1.00 0.00 O ATOM 1596 CB LEU A 104 6.080 4.613 -12.935 1.00 0.00 C ATOM 1597 CG LEU A 104 4.961 3.950 -12.130 1.00 0.00 C ATOM 1598 CD1 LEU A 104 5.381 3.771 -10.679 1.00 0.00 C ATOM 1599 CD2 LEU A 104 3.683 4.770 -12.220 1.00 0.00 C ATOM 0 H LEU A 104 6.850 2.449 -14.362 1.00 0.00 H new ATOM 0 HA LEU A 104 5.129 4.809 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.036 4.254 -12.554 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.046 5.687 -12.750 1.00 0.00 H new ATOM 0 HG LEU A 104 4.768 2.965 -12.555 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.572 3.298 -10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.270 3.142 -10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.602 4.745 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.897 4.284 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.862 5.768 -11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.372 4.846 -13.262 1.00 0.00 H new ATOM 1611 N PRO A 105 7.144 5.280 -16.427 1.00 0.00 N ATOM 1612 CA PRO A 105 8.202 5.936 -17.202 1.00 0.00 C ATOM 1613 C PRO A 105 8.316 7.423 -16.884 1.00 0.00 C ATOM 1614 O PRO A 105 9.239 8.096 -17.340 1.00 0.00 O ATOM 1615 CB PRO A 105 7.757 5.732 -18.653 1.00 0.00 C ATOM 1616 CG PRO A 105 6.278 5.572 -18.577 1.00 0.00 C ATOM 1617 CD PRO A 105 6.003 4.883 -17.269 1.00 0.00 C ATOM 0 HA PRO A 105 9.186 5.522 -16.981 1.00 0.00 H new ATOM 0 HB2 PRO A 105 8.032 6.584 -19.275 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.228 4.852 -19.092 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.778 6.540 -18.621 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.906 4.982 -19.415 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.055 5.204 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.949 3.801 -17.388 1.00 0.00 H new ATOM 1625 N GLY A 106 7.370 7.930 -16.098 1.00 0.00 N ATOM 1626 CA GLY A 106 7.383 9.334 -15.733 1.00 0.00 C ATOM 1627 C GLY A 106 6.277 10.119 -16.409 1.00 0.00 C ATOM 1628 O GLY A 106 5.097 9.919 -16.120 1.00 0.00 O ATOM 0 H GLY A 106 6.595 7.393 -15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.281 9.426 -14.652 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.347 9.767 -16.000 1.00 0.00 H new