USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 15 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 65:sc= 1.29 USER MOD Single : A 21 SER OG : rot 91:sc= 1.25 USER MOD Single : A 22 ASN : amide:sc= -0.736 X(o=-0.74,f=-1) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -0.233 F(o=-2.9!,f=-0.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -170:sc= -0.652 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= -0.33 (180deg=-1.41!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 47 ASN : amide:sc= 2.12 K(o=2.1,f=-4.1!) USER MOD Single : A 49 TYR OH : rot -76:sc= -0.2 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 0.698 (180deg=-1.27!) USER MOD Single : A 55 SER OG : rot 180:sc= 0.114 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= 0.116 (180deg=-0.172) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= -1.1 (180deg=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -88:sc= 1.29 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.0502 F(o=-0.95,f=-0.05) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -2.93! C(o=-2.9!,f=-9.4!) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0362 F(o=-1,f=-0.036) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : B 396 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -6.465 11.892 -9.344 1.00 0.00 N ATOM 140 CA PHE A 14 -5.524 12.062 -8.235 1.00 0.00 C ATOM 141 C PHE A 14 -6.170 11.685 -6.903 1.00 0.00 C ATOM 142 O PHE A 14 -5.555 11.811 -5.843 1.00 0.00 O ATOM 143 CB PHE A 14 -4.993 13.503 -8.191 1.00 0.00 C ATOM 144 CG PHE A 14 -3.641 13.644 -7.551 1.00 0.00 C ATOM 145 CD1 PHE A 14 -2.551 12.946 -8.044 1.00 0.00 C ATOM 146 CD2 PHE A 14 -3.458 14.475 -6.457 1.00 0.00 C ATOM 147 CE1 PHE A 14 -1.306 13.074 -7.461 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.215 14.607 -5.869 1.00 0.00 C ATOM 149 CZ PHE A 14 -1.136 13.906 -6.371 1.00 0.00 C ATOM 0 HA PHE A 14 -4.682 11.390 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.943 13.891 -9.209 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.706 14.124 -7.648 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.677 12.293 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.297 15.026 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.465 12.524 -7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.087 15.258 -5.017 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.163 14.008 -5.913 1.00 0.00 H new ATOM 159 N SER A 15 -7.404 11.202 -6.970 1.00 0.00 N ATOM 160 CA SER A 15 -8.151 10.807 -5.788 1.00 0.00 C ATOM 161 C SER A 15 -7.495 9.613 -5.095 1.00 0.00 C ATOM 162 O SER A 15 -7.263 9.629 -3.883 1.00 0.00 O ATOM 163 CB SER A 15 -9.589 10.464 -6.186 1.00 0.00 C ATOM 164 OG SER A 15 -9.978 11.182 -7.349 1.00 0.00 O ATOM 0 H SER A 15 -7.913 11.074 -7.845 1.00 0.00 H new ATOM 0 HA SER A 15 -8.156 11.639 -5.084 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.674 9.393 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.265 10.701 -5.364 1.00 0.00 H new ATOM 0 HG SER A 15 -10.899 10.946 -7.586 1.00 0.00 H new ATOM 170 N GLU A 16 -7.169 8.597 -5.878 1.00 0.00 N ATOM 171 CA GLU A 16 -6.553 7.393 -5.349 1.00 0.00 C ATOM 172 C GLU A 16 -5.100 7.660 -4.975 1.00 0.00 C ATOM 173 O GLU A 16 -4.614 7.181 -3.951 1.00 0.00 O ATOM 174 CB GLU A 16 -6.649 6.243 -6.364 1.00 0.00 C ATOM 175 CG GLU A 16 -5.748 6.390 -7.587 1.00 0.00 C ATOM 176 CD GLU A 16 -6.286 7.371 -8.606 1.00 0.00 C ATOM 177 OE1 GLU A 16 -6.216 8.594 -8.358 1.00 0.00 O ATOM 178 OE2 GLU A 16 -6.786 6.926 -9.659 1.00 0.00 O ATOM 0 H GLU A 16 -7.322 8.584 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.092 7.097 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.402 5.310 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.683 6.159 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.759 6.716 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.625 5.415 -8.059 1.00 0.00 H new ATOM 185 N TYR A 17 -4.421 8.454 -5.794 1.00 0.00 N ATOM 186 CA TYR A 17 -3.025 8.784 -5.557 1.00 0.00 C ATOM 187 C TYR A 17 -2.846 9.477 -4.218 1.00 0.00 C ATOM 188 O TYR A 17 -1.946 9.136 -3.456 1.00 0.00 O ATOM 189 CB TYR A 17 -2.488 9.678 -6.668 1.00 0.00 C ATOM 190 CG TYR A 17 -2.287 8.960 -7.980 1.00 0.00 C ATOM 191 CD1 TYR A 17 -1.349 7.944 -8.101 1.00 0.00 C ATOM 192 CD2 TYR A 17 -3.031 9.304 -9.098 1.00 0.00 C ATOM 193 CE1 TYR A 17 -1.158 7.289 -9.303 1.00 0.00 C ATOM 194 CE2 TYR A 17 -2.845 8.656 -10.301 1.00 0.00 C ATOM 195 CZ TYR A 17 -1.909 7.651 -10.399 1.00 0.00 C ATOM 196 OH TYR A 17 -1.719 7.009 -11.602 1.00 0.00 O ATOM 0 H TYR A 17 -4.818 8.882 -6.631 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.464 7.849 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.178 10.508 -6.820 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.538 10.107 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.759 7.661 -7.242 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.767 10.091 -9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.425 6.499 -9.382 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.432 8.936 -11.163 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.329 7.383 -12.272 1.00 0.00 H new ATOM 206 N SER A 18 -3.716 10.438 -3.933 1.00 0.00 N ATOM 207 CA SER A 18 -3.648 11.178 -2.680 1.00 0.00 C ATOM 208 C SER A 18 -3.828 10.246 -1.485 1.00 0.00 C ATOM 209 O SER A 18 -3.040 10.272 -0.544 1.00 0.00 O ATOM 210 CB SER A 18 -4.718 12.273 -2.650 1.00 0.00 C ATOM 211 OG SER A 18 -4.583 13.153 -3.756 1.00 0.00 O ATOM 0 H SER A 18 -4.475 10.723 -4.552 1.00 0.00 H new ATOM 0 HA SER A 18 -2.662 11.639 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.708 11.818 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.639 12.837 -1.721 1.00 0.00 H new ATOM 0 HG SER A 18 -4.757 12.663 -4.587 1.00 0.00 H new ATOM 217 N ARG A 19 -4.846 9.397 -1.549 1.00 0.00 N ATOM 218 CA ARG A 19 -5.143 8.470 -0.464 1.00 0.00 C ATOM 219 C ARG A 19 -4.010 7.466 -0.240 1.00 0.00 C ATOM 220 O ARG A 19 -3.735 7.079 0.898 1.00 0.00 O ATOM 221 CB ARG A 19 -6.442 7.716 -0.751 1.00 0.00 C ATOM 222 CG ARG A 19 -7.668 8.608 -0.847 1.00 0.00 C ATOM 223 CD ARG A 19 -8.925 7.785 -1.067 1.00 0.00 C ATOM 224 NE ARG A 19 -10.093 8.611 -1.363 1.00 0.00 N ATOM 225 CZ ARG A 19 -11.313 8.372 -0.884 1.00 0.00 C ATOM 226 NH1 ARG A 19 -11.511 7.385 -0.021 1.00 0.00 N ATOM 227 NH2 ARG A 19 -12.334 9.127 -1.254 1.00 0.00 N ATOM 0 H ARG A 19 -5.482 9.331 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.252 9.063 0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.332 7.166 -1.686 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.603 6.979 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.768 9.194 0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.544 9.315 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.760 7.089 -1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.124 7.187 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.967 9.419 -1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.727 6.805 0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.447 7.206 0.343 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.189 9.896 -1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.266 8.940 -0.885 1.00 0.00 H new ATOM 241 N ILE A 20 -3.369 7.036 -1.318 1.00 0.00 N ATOM 242 CA ILE A 20 -2.285 6.062 -1.226 1.00 0.00 C ATOM 243 C ILE A 20 -0.981 6.713 -0.759 1.00 0.00 C ATOM 244 O ILE A 20 -0.358 6.245 0.193 1.00 0.00 O ATOM 245 CB ILE A 20 -2.068 5.330 -2.576 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.909 4.054 -2.635 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.600 4.987 -2.801 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.392 4.289 -2.815 1.00 0.00 C ATOM 0 H ILE A 20 -3.579 7.345 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.581 5.325 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.384 6.009 -3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.550 3.435 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.752 3.488 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.488 4.475 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.009 5.903 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.251 4.337 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.911 3.331 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.771 4.880 -1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.565 4.826 -3.748 1.00 0.00 H new ATOM 260 N SER A 21 -0.578 7.790 -1.424 1.00 0.00 N ATOM 261 CA SER A 21 0.654 8.493 -1.069 1.00 0.00 C ATOM 262 C SER A 21 0.593 9.007 0.367 1.00 0.00 C ATOM 263 O SER A 21 1.611 9.072 1.060 1.00 0.00 O ATOM 264 CB SER A 21 0.905 9.648 -2.039 1.00 0.00 C ATOM 265 OG SER A 21 0.719 9.226 -3.378 1.00 0.00 O ATOM 0 H SER A 21 -1.084 8.196 -2.211 1.00 0.00 H new ATOM 0 HA SER A 21 1.482 7.788 -1.142 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.227 10.472 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.919 10.025 -1.909 1.00 0.00 H new ATOM 0 HG SER A 21 -0.214 9.370 -3.640 1.00 0.00 H new ATOM 271 N ASN A 22 -0.611 9.353 0.812 1.00 0.00 N ATOM 272 CA ASN A 22 -0.817 9.844 2.169 1.00 0.00 C ATOM 273 C ASN A 22 -0.435 8.771 3.184 1.00 0.00 C ATOM 274 O ASN A 22 0.104 9.080 4.243 1.00 0.00 O ATOM 275 CB ASN A 22 -2.277 10.255 2.366 1.00 0.00 C ATOM 276 CG ASN A 22 -2.496 11.111 3.600 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.631 11.891 4.002 1.00 0.00 O ATOM 278 ND2 ASN A 22 -3.666 10.978 4.204 1.00 0.00 N ATOM 0 H ASN A 22 -1.461 9.302 0.250 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.181 10.716 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.615 10.803 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.893 9.359 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.878 11.533 5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.356 10.321 3.840 1.00 0.00 H new ATOM 285 N LEU A 23 -0.693 7.510 2.834 1.00 0.00 N ATOM 286 CA LEU A 23 -0.376 6.381 3.708 1.00 0.00 C ATOM 287 C LEU A 23 1.115 6.342 4.019 1.00 0.00 C ATOM 288 O LEU A 23 1.519 6.086 5.156 1.00 0.00 O ATOM 289 CB LEU A 23 -0.817 5.056 3.059 1.00 0.00 C ATOM 290 CG LEU A 23 0.145 3.872 3.249 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.614 2.592 3.535 1.00 0.00 C ATOM 292 CD2 LEU A 23 1.028 3.689 2.023 1.00 0.00 C ATOM 0 H LEU A 23 -1.122 7.245 1.948 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.921 6.512 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.790 4.779 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.953 5.223 1.990 1.00 0.00 H new ATOM 0 HG LEU A 23 0.778 4.098 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.092 1.772 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.201 2.713 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.279 2.369 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.700 2.846 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.404 3.497 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.614 4.593 1.858 1.00 0.00 H new ATOM 304 N ILE A 24 1.924 6.605 3.001 1.00 0.00 N ATOM 305 CA ILE A 24 3.370 6.603 3.149 1.00 0.00 C ATOM 306 C ILE A 24 3.801 7.681 4.130 1.00 0.00 C ATOM 307 O ILE A 24 4.572 7.420 5.056 1.00 0.00 O ATOM 308 CB ILE A 24 4.069 6.803 1.780 1.00 0.00 C ATOM 309 CG1 ILE A 24 4.195 5.457 1.065 1.00 0.00 C ATOM 310 CG2 ILE A 24 5.440 7.456 1.930 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.976 4.431 1.857 1.00 0.00 C ATOM 0 H ILE A 24 1.599 6.823 2.059 1.00 0.00 H new ATOM 0 HA ILE A 24 3.671 5.632 3.542 1.00 0.00 H new ATOM 0 HB ILE A 24 3.454 7.477 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.198 5.067 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.681 5.609 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.895 7.578 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.328 8.432 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.078 6.825 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.028 3.499 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.985 4.802 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.479 4.251 2.810 1.00 0.00 H new ATOM 323 N VAL A 25 3.265 8.876 3.945 1.00 0.00 N ATOM 324 CA VAL A 25 3.600 9.995 4.805 1.00 0.00 C ATOM 325 C VAL A 25 3.089 9.757 6.223 1.00 0.00 C ATOM 326 O VAL A 25 3.826 9.931 7.192 1.00 0.00 O ATOM 327 CB VAL A 25 3.013 11.316 4.267 1.00 0.00 C ATOM 328 CG1 VAL A 25 3.486 12.497 5.100 1.00 0.00 C ATOM 329 CG2 VAL A 25 3.381 11.510 2.802 1.00 0.00 C ATOM 0 H VAL A 25 2.596 9.095 3.207 1.00 0.00 H new ATOM 0 HA VAL A 25 4.687 10.077 4.819 1.00 0.00 H new ATOM 0 HB VAL A 25 1.927 11.261 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.059 13.417 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.165 12.365 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.574 12.556 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.957 12.447 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.466 11.539 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.983 10.683 2.214 1.00 0.00 H new ATOM 339 N LEU A 26 1.829 9.340 6.330 1.00 0.00 N ATOM 340 CA LEU A 26 1.203 9.077 7.624 1.00 0.00 C ATOM 341 C LEU A 26 1.981 8.046 8.426 1.00 0.00 C ATOM 342 O LEU A 26 2.327 8.283 9.583 1.00 0.00 O ATOM 343 CB LEU A 26 -0.233 8.585 7.437 1.00 0.00 C ATOM 344 CG LEU A 26 -1.223 9.640 6.957 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.549 8.990 6.609 1.00 0.00 C ATOM 346 CD2 LEU A 26 -1.418 10.718 8.013 1.00 0.00 C ATOM 0 H LEU A 26 1.218 9.176 5.530 1.00 0.00 H new ATOM 0 HA LEU A 26 1.202 10.018 8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.228 7.762 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.588 8.181 8.385 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.818 10.113 6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.249 9.752 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.398 8.255 5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.954 8.495 7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.128 11.460 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.802 10.266 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.463 11.201 8.220 1.00 0.00 H new ATOM 358 N HIS A 27 2.263 6.911 7.806 1.00 0.00 N ATOM 359 CA HIS A 27 2.982 5.839 8.475 1.00 0.00 C ATOM 360 C HIS A 27 4.391 6.269 8.870 1.00 0.00 C ATOM 361 O HIS A 27 4.828 6.016 9.990 1.00 0.00 O ATOM 362 CB HIS A 27 3.041 4.602 7.581 1.00 0.00 C ATOM 363 CG HIS A 27 3.463 3.356 8.303 1.00 0.00 C ATOM 364 ND1 HIS A 27 2.729 2.400 8.916 1.00 0.00 N flip ATOM 365 CD2 HIS A 27 4.780 2.971 8.447 1.00 0.00 C flip ATOM 366 CE1 HIS A 27 3.602 1.465 9.409 1.00 0.00 C flip ATOM 367 NE2 HIS A 27 4.830 1.833 9.114 1.00 0.00 N flip ATOM 0 H HIS A 27 2.005 6.709 6.840 1.00 0.00 H new ATOM 0 HA HIS A 27 2.439 5.596 9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 27 2.059 4.439 7.136 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.735 4.789 6.762 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.712 2.378 8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.635 3.515 8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.327 0.572 9.951 1.00 0.00 H new ATOM 376 N LEU A 28 5.100 6.914 7.951 1.00 0.00 N ATOM 377 CA LEU A 28 6.462 7.363 8.220 1.00 0.00 C ATOM 378 C LEU A 28 6.487 8.392 9.345 1.00 0.00 C ATOM 379 O LEU A 28 7.246 8.251 10.304 1.00 0.00 O ATOM 380 CB LEU A 28 7.094 7.953 6.955 1.00 0.00 C ATOM 381 CG LEU A 28 8.595 7.679 6.775 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.423 8.505 7.750 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.891 6.193 6.947 1.00 0.00 C ATOM 0 H LEU A 28 4.757 7.137 7.017 1.00 0.00 H new ATOM 0 HA LEU A 28 7.044 6.496 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.564 7.559 6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.938 9.032 6.961 1.00 0.00 H new ATOM 0 HG LEU A 28 8.873 7.974 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.481 8.291 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.239 9.565 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.142 8.251 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.959 6.017 6.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.591 5.875 7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.336 5.623 6.202 1.00 0.00 H new ATOM 395 N ARG A 29 5.632 9.406 9.243 1.00 0.00 N ATOM 396 CA ARG A 29 5.576 10.457 10.250 1.00 0.00 C ATOM 397 C ARG A 29 5.198 9.890 11.618 1.00 0.00 C ATOM 398 O ARG A 29 5.630 10.402 12.650 1.00 0.00 O ATOM 399 CB ARG A 29 4.593 11.559 9.826 1.00 0.00 C ATOM 400 CG ARG A 29 3.166 11.354 10.314 1.00 0.00 C ATOM 401 CD ARG A 29 2.150 11.936 9.347 1.00 0.00 C ATOM 402 NE ARG A 29 2.338 13.370 9.143 1.00 0.00 N ATOM 403 CZ ARG A 29 1.357 14.266 9.214 1.00 0.00 C ATOM 404 NH1 ARG A 29 0.127 13.890 9.548 1.00 0.00 N ATOM 405 NH2 ARG A 29 1.620 15.543 8.979 1.00 0.00 N ATOM 0 H ARG A 29 4.971 9.521 8.475 1.00 0.00 H new ATOM 0 HA ARG A 29 6.570 10.896 10.335 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.957 12.516 10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.586 11.623 8.738 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.976 10.289 10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.046 11.820 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.227 11.422 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.145 11.754 9.726 1.00 0.00 H new ATOM 0 HE ARG A 29 3.278 13.705 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.069 12.910 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.621 14.581 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.569 15.834 8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.873 16.236 9.032 1.00 0.00 H new ATOM 419 N LYS A 30 4.398 8.830 11.622 1.00 0.00 N ATOM 420 CA LYS A 30 3.980 8.204 12.865 1.00 0.00 C ATOM 421 C LYS A 30 5.133 7.427 13.491 1.00 0.00 C ATOM 422 O LYS A 30 5.500 7.671 14.639 1.00 0.00 O ATOM 423 CB LYS A 30 2.789 7.268 12.629 1.00 0.00 C ATOM 424 CG LYS A 30 2.096 6.832 13.913 1.00 0.00 C ATOM 425 CD LYS A 30 0.999 5.818 13.640 1.00 0.00 C ATOM 426 CE LYS A 30 0.222 5.495 14.905 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.718 4.361 14.711 1.00 0.00 N ATOM 0 H LYS A 30 4.028 8.389 10.780 1.00 0.00 H new ATOM 0 HA LYS A 30 3.674 8.994 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.065 7.769 11.987 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.133 6.384 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.829 6.401 14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.671 7.703 14.412 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.319 6.209 12.882 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.436 4.905 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.920 5.253 15.707 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.335 6.376 15.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.226 4.176 15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.401 4.600 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.185 3.512 14.434 1.00 0.00 H new ATOM 441 N VAL A 31 5.722 6.512 12.723 1.00 0.00 N ATOM 442 CA VAL A 31 6.813 5.679 13.227 1.00 0.00 C ATOM 443 C VAL A 31 8.030 6.497 13.660 1.00 0.00 C ATOM 444 O VAL A 31 8.684 6.145 14.638 1.00 0.00 O ATOM 445 CB VAL A 31 7.246 4.596 12.212 1.00 0.00 C ATOM 446 CG1 VAL A 31 6.074 3.689 11.876 1.00 0.00 C ATOM 447 CG2 VAL A 31 7.834 5.210 10.950 1.00 0.00 C ATOM 0 H VAL A 31 5.464 6.329 11.753 1.00 0.00 H new ATOM 0 HA VAL A 31 6.408 5.183 14.109 1.00 0.00 H new ATOM 0 HB VAL A 31 8.030 3.998 12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.394 2.931 11.160 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.718 3.203 12.784 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.268 4.281 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.126 4.417 10.262 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.089 5.847 10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.709 5.806 11.209 1.00 0.00 H new ATOM 457 N GLU A 32 8.333 7.584 12.950 1.00 0.00 N ATOM 458 CA GLU A 32 9.477 8.420 13.307 1.00 0.00 C ATOM 459 C GLU A 32 9.208 9.173 14.608 1.00 0.00 C ATOM 460 O GLU A 32 10.134 9.488 15.358 1.00 0.00 O ATOM 461 CB GLU A 32 9.818 9.408 12.185 1.00 0.00 C ATOM 462 CG GLU A 32 8.746 10.455 11.932 1.00 0.00 C ATOM 463 CD GLU A 32 9.295 11.712 11.289 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.110 11.607 10.352 1.00 0.00 O ATOM 465 OE2 GLU A 32 8.908 12.819 11.721 1.00 0.00 O ATOM 0 H GLU A 32 7.809 7.903 12.135 1.00 0.00 H new ATOM 0 HA GLU A 32 10.334 7.762 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.752 9.913 12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.990 8.850 11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.974 10.031 11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.267 10.714 12.876 1.00 0.00 H new ATOM 472 N GLU A 33 7.938 9.455 14.865 1.00 0.00 N ATOM 473 CA GLU A 33 7.535 10.167 16.068 1.00 0.00 C ATOM 474 C GLU A 33 7.451 9.207 17.250 1.00 0.00 C ATOM 475 O GLU A 33 7.763 9.570 18.386 1.00 0.00 O ATOM 476 CB GLU A 33 6.182 10.848 15.843 1.00 0.00 C ATOM 477 CG GLU A 33 5.640 11.573 17.064 1.00 0.00 C ATOM 478 CD GLU A 33 4.354 12.316 16.774 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.426 13.461 16.280 1.00 0.00 O ATOM 480 OE2 GLU A 33 3.265 11.764 17.038 1.00 0.00 O ATOM 0 H GLU A 33 7.165 9.199 14.251 1.00 0.00 H new ATOM 0 HA GLU A 33 8.282 10.928 16.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.278 11.561 15.024 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.457 10.097 15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.467 10.852 17.863 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.389 12.277 17.426 1.00 0.00 H new ATOM 487 N GLU A 34 7.032 7.983 16.978 1.00 0.00 N ATOM 488 CA GLU A 34 6.894 6.972 18.015 1.00 0.00 C ATOM 489 C GLU A 34 8.241 6.357 18.360 1.00 0.00 C ATOM 490 O GLU A 34 8.728 6.488 19.486 1.00 0.00 O ATOM 491 CB GLU A 34 5.928 5.878 17.561 1.00 0.00 C ATOM 492 CG GLU A 34 4.530 6.387 17.260 1.00 0.00 C ATOM 493 CD GLU A 34 3.763 6.758 18.509 1.00 0.00 C ATOM 494 OE1 GLU A 34 3.975 7.869 19.038 1.00 0.00 O ATOM 495 OE2 GLU A 34 2.939 5.939 18.964 1.00 0.00 O ATOM 0 H GLU A 34 6.780 7.663 16.043 1.00 0.00 H new ATOM 0 HA GLU A 34 6.497 7.457 18.907 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.330 5.397 16.669 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.868 5.114 18.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.597 7.258 16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.979 5.622 16.714 1.00 0.00 H new ATOM 502 N GLU A 35 8.842 5.701 17.383 1.00 0.00 N ATOM 503 CA GLU A 35 10.125 5.049 17.576 1.00 0.00 C ATOM 504 C GLU A 35 11.228 5.846 16.891 1.00 0.00 C ATOM 505 O GLU A 35 11.948 6.605 17.538 1.00 0.00 O ATOM 506 CB GLU A 35 10.085 3.623 17.017 1.00 0.00 C ATOM 507 CG GLU A 35 8.767 2.902 17.263 1.00 0.00 C ATOM 508 CD GLU A 35 8.486 2.678 18.737 1.00 0.00 C ATOM 509 OE1 GLU A 35 9.249 1.933 19.384 1.00 0.00 O ATOM 510 OE2 GLU A 35 7.494 3.235 19.255 1.00 0.00 O ATOM 0 H GLU A 35 8.459 5.606 16.442 1.00 0.00 H new ATOM 0 HA GLU A 35 10.334 5.002 18.645 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.274 3.658 15.944 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.893 3.045 17.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.954 3.482 16.827 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.783 1.940 16.751 1.00 0.00 H new ATOM 517 N ASP A 36 11.323 5.686 15.573 1.00 0.00 N ATOM 518 CA ASP A 36 12.330 6.374 14.769 1.00 0.00 C ATOM 519 C ASP A 36 12.173 6.012 13.300 1.00 0.00 C ATOM 520 O ASP A 36 12.040 6.883 12.444 1.00 0.00 O ATOM 521 CB ASP A 36 13.747 6.019 15.229 1.00 0.00 C ATOM 522 CG ASP A 36 14.810 6.587 14.309 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.885 7.826 14.169 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.570 5.796 13.713 1.00 0.00 O ATOM 0 H ASP A 36 10.706 5.078 15.034 1.00 0.00 H new ATOM 0 HA ASP A 36 12.179 7.446 14.900 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.904 6.397 16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.851 4.935 15.275 1.00 0.00 H new ATOM 529 N GLU A 37 12.186 4.719 13.014 1.00 0.00 N ATOM 530 CA GLU A 37 12.057 4.236 11.651 1.00 0.00 C ATOM 531 C GLU A 37 11.136 3.027 11.592 1.00 0.00 C ATOM 532 O GLU A 37 10.300 2.904 10.691 1.00 0.00 O ATOM 533 CB GLU A 37 13.446 3.894 11.106 1.00 0.00 C ATOM 534 CG GLU A 37 13.438 3.061 9.841 1.00 0.00 C ATOM 535 CD GLU A 37 14.828 2.626 9.432 1.00 0.00 C ATOM 536 OE1 GLU A 37 15.586 3.467 8.899 1.00 0.00 O ATOM 537 OE2 GLU A 37 15.179 1.448 9.652 1.00 0.00 O ATOM 0 H GLU A 37 12.285 3.983 13.713 1.00 0.00 H new ATOM 0 HA GLU A 37 11.613 5.016 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.984 4.822 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.002 3.358 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.814 2.180 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.987 3.636 9.032 1.00 0.00 H new ATOM 544 N SER A 38 11.315 2.151 12.568 1.00 0.00 N ATOM 545 CA SER A 38 10.542 0.916 12.717 1.00 0.00 C ATOM 546 C SER A 38 10.902 -0.117 11.643 1.00 0.00 C ATOM 547 O SER A 38 11.154 -1.282 11.962 1.00 0.00 O ATOM 548 CB SER A 38 9.044 1.217 12.704 1.00 0.00 C ATOM 549 OG SER A 38 8.691 2.085 13.768 1.00 0.00 O ATOM 0 H SER A 38 12.016 2.277 13.298 1.00 0.00 H new ATOM 0 HA SER A 38 10.801 0.480 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.769 1.672 11.752 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.482 0.287 12.787 1.00 0.00 H new ATOM 0 HG SER A 38 7.715 2.138 13.837 1.00 0.00 H new ATOM 555 N ALA A 39 10.934 0.325 10.386 1.00 0.00 N ATOM 556 CA ALA A 39 11.263 -0.528 9.240 1.00 0.00 C ATOM 557 C ALA A 39 10.368 -1.766 9.167 1.00 0.00 C ATOM 558 O ALA A 39 10.688 -2.825 9.713 1.00 0.00 O ATOM 559 CB ALA A 39 12.734 -0.918 9.271 1.00 0.00 C ATOM 0 H ALA A 39 10.731 1.291 10.131 1.00 0.00 H new ATOM 0 HA ALA A 39 11.075 0.052 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.961 -1.551 8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.350 -0.019 9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.947 -1.463 10.191 1.00 0.00 H new ATOM 565 N LEU A 40 9.246 -1.628 8.476 1.00 0.00 N ATOM 566 CA LEU A 40 8.298 -2.723 8.331 1.00 0.00 C ATOM 567 C LEU A 40 8.457 -3.392 6.971 1.00 0.00 C ATOM 568 O LEU A 40 9.548 -3.400 6.402 1.00 0.00 O ATOM 569 CB LEU A 40 6.858 -2.218 8.513 1.00 0.00 C ATOM 570 CG LEU A 40 6.402 -2.030 9.965 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.844 -3.203 10.827 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.927 -0.721 10.532 1.00 0.00 C ATOM 0 H LEU A 40 8.969 -0.766 8.006 1.00 0.00 H new ATOM 0 HA LEU A 40 8.506 -3.461 9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.757 -1.265 7.993 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.181 -2.920 8.026 1.00 0.00 H new ATOM 0 HG LEU A 40 5.313 -1.992 9.973 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.509 -3.047 11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.409 -4.124 10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.931 -3.279 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.590 -0.610 11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.017 -0.724 10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.551 0.111 9.936 1.00 0.00 H new ATOM 584 N LYS A 41 7.373 -3.965 6.465 1.00 0.00 N ATOM 585 CA LYS A 41 7.397 -4.633 5.174 1.00 0.00 C ATOM 586 C LYS A 41 6.315 -4.071 4.266 1.00 0.00 C ATOM 587 O LYS A 41 5.380 -3.415 4.735 1.00 0.00 O ATOM 588 CB LYS A 41 7.212 -6.141 5.352 1.00 0.00 C ATOM 589 CG LYS A 41 8.171 -6.747 6.359 1.00 0.00 C ATOM 590 CD LYS A 41 8.557 -8.163 5.984 1.00 0.00 C ATOM 591 CE LYS A 41 9.803 -8.602 6.731 1.00 0.00 C ATOM 592 NZ LYS A 41 10.905 -7.613 6.595 1.00 0.00 N ATOM 0 H LYS A 41 6.466 -3.980 6.931 1.00 0.00 H new ATOM 0 HA LYS A 41 8.367 -4.454 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.188 -6.340 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.348 -6.633 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.068 -6.131 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.710 -6.745 7.347 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.734 -8.841 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.732 -8.224 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.565 -8.739 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.133 -9.569 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.817 -8.112 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.774 -7.065 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.896 -6.969 7.411 1.00 0.00 H new ATOM 606 N ARG A 42 6.442 -4.338 2.971 1.00 0.00 N ATOM 607 CA ARG A 42 5.484 -3.846 1.983 1.00 0.00 C ATOM 608 C ARG A 42 4.068 -4.359 2.252 1.00 0.00 C ATOM 609 O ARG A 42 3.119 -3.577 2.258 1.00 0.00 O ATOM 610 CB ARG A 42 5.923 -4.227 0.563 1.00 0.00 C ATOM 611 CG ARG A 42 6.276 -5.697 0.396 1.00 0.00 C ATOM 612 CD ARG A 42 6.646 -6.024 -1.041 1.00 0.00 C ATOM 613 NE ARG A 42 5.479 -6.046 -1.920 1.00 0.00 N ATOM 614 CZ ARG A 42 5.530 -5.811 -3.233 1.00 0.00 C ATOM 615 NH1 ARG A 42 6.693 -5.550 -3.823 1.00 0.00 N ATOM 616 NH2 ARG A 42 4.421 -5.840 -3.958 1.00 0.00 N ATOM 0 H ARG A 42 7.201 -4.894 2.578 1.00 0.00 H new ATOM 0 HA ARG A 42 5.465 -2.760 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.123 -3.975 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.787 -3.623 0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.109 -5.949 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.430 -6.312 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.361 -5.287 -1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.143 -6.994 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 42 4.571 -6.253 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.551 -5.529 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.727 -5.371 -4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.526 -6.042 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.463 -5.660 -4.961 1.00 0.00 H new ATOM 630 N SER A 43 3.928 -5.658 2.492 1.00 0.00 N ATOM 631 CA SER A 43 2.618 -6.249 2.749 1.00 0.00 C ATOM 632 C SER A 43 2.020 -5.718 4.051 1.00 0.00 C ATOM 633 O SER A 43 0.801 -5.625 4.187 1.00 0.00 O ATOM 634 CB SER A 43 2.724 -7.774 2.790 1.00 0.00 C ATOM 635 OG SER A 43 3.923 -8.210 2.170 1.00 0.00 O ATOM 0 H SER A 43 4.703 -6.321 2.514 1.00 0.00 H new ATOM 0 HA SER A 43 1.951 -5.965 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.698 -8.118 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.866 -8.217 2.285 1.00 0.00 H new ATOM 0 HG SER A 43 3.974 -9.188 2.208 1.00 0.00 H new ATOM 641 N GLU A 44 2.881 -5.370 5.004 1.00 0.00 N ATOM 642 CA GLU A 44 2.435 -4.829 6.282 1.00 0.00 C ATOM 643 C GLU A 44 1.899 -3.416 6.084 1.00 0.00 C ATOM 644 O GLU A 44 0.916 -3.020 6.711 1.00 0.00 O ATOM 645 CB GLU A 44 3.581 -4.820 7.295 1.00 0.00 C ATOM 646 CG GLU A 44 3.144 -4.452 8.704 1.00 0.00 C ATOM 647 CD GLU A 44 2.195 -5.468 9.305 1.00 0.00 C ATOM 648 OE1 GLU A 44 2.637 -6.599 9.590 1.00 0.00 O ATOM 649 OE2 GLU A 44 1.002 -5.141 9.488 1.00 0.00 O ATOM 0 H GLU A 44 3.894 -5.454 4.913 1.00 0.00 H new ATOM 0 HA GLU A 44 1.639 -5.464 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.046 -5.805 7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.342 -4.114 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.024 -4.361 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.661 -3.475 8.687 1.00 0.00 H new ATOM 656 N LEU A 45 2.551 -2.662 5.205 1.00 0.00 N ATOM 657 CA LEU A 45 2.125 -1.300 4.902 1.00 0.00 C ATOM 658 C LEU A 45 0.730 -1.324 4.296 1.00 0.00 C ATOM 659 O LEU A 45 -0.120 -0.500 4.622 1.00 0.00 O ATOM 660 CB LEU A 45 3.108 -0.632 3.937 1.00 0.00 C ATOM 661 CG LEU A 45 3.923 0.527 4.523 1.00 0.00 C ATOM 662 CD1 LEU A 45 3.024 1.717 4.828 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.671 0.082 5.773 1.00 0.00 C ATOM 0 H LEU A 45 3.376 -2.971 4.690 1.00 0.00 H new ATOM 0 HA LEU A 45 2.106 -0.722 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.800 -1.390 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.551 -0.263 3.076 1.00 0.00 H new ATOM 0 HG LEU A 45 4.657 0.837 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.622 2.528 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.543 2.054 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.262 1.422 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.243 0.920 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.957 -0.260 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.350 -0.733 5.520 1.00 0.00 H new ATOM 675 N VAL A 46 0.506 -2.277 3.408 1.00 0.00 N ATOM 676 CA VAL A 46 -0.790 -2.434 2.774 1.00 0.00 C ATOM 677 C VAL A 46 -1.794 -3.015 3.767 1.00 0.00 C ATOM 678 O VAL A 46 -2.971 -2.657 3.761 1.00 0.00 O ATOM 679 CB VAL A 46 -0.708 -3.356 1.542 1.00 0.00 C ATOM 680 CG1 VAL A 46 -2.013 -3.335 0.772 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.451 -2.956 0.642 1.00 0.00 C ATOM 0 H VAL A 46 1.207 -2.955 3.110 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.117 -1.447 2.448 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.531 -4.373 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.935 -3.992 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.822 -3.679 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.222 -2.319 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.488 -3.621 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.311 -1.930 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.386 -3.030 1.198 1.00 0.00 H new ATOM 691 N ASN A 47 -1.293 -3.889 4.634 1.00 0.00 N ATOM 692 CA ASN A 47 -2.101 -4.574 5.641 1.00 0.00 C ATOM 693 C ASN A 47 -2.965 -3.605 6.441 1.00 0.00 C ATOM 694 O ASN A 47 -4.196 -3.708 6.429 1.00 0.00 O ATOM 695 CB ASN A 47 -1.194 -5.360 6.593 1.00 0.00 C ATOM 696 CG ASN A 47 -1.976 -6.178 7.602 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.070 -6.670 7.315 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.420 -6.330 8.792 1.00 0.00 N ATOM 0 H ASN A 47 -0.306 -4.145 4.659 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.768 -5.256 5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.552 -6.023 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.540 -4.666 7.122 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.898 -6.871 9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.513 -5.907 8.989 1.00 0.00 H new ATOM 705 N TRP A 48 -2.330 -2.654 7.117 1.00 0.00 N ATOM 706 CA TRP A 48 -3.071 -1.694 7.921 1.00 0.00 C ATOM 707 C TRP A 48 -3.886 -0.752 7.037 1.00 0.00 C ATOM 708 O TRP A 48 -4.944 -0.277 7.449 1.00 0.00 O ATOM 709 CB TRP A 48 -2.144 -0.906 8.862 1.00 0.00 C ATOM 710 CG TRP A 48 -1.264 0.097 8.177 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.029 -0.126 7.648 1.00 0.00 C ATOM 712 CD2 TRP A 48 -1.546 1.489 7.970 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.467 1.033 7.107 1.00 0.00 N ATOM 714 CE2 TRP A 48 -0.440 2.040 7.296 1.00 0.00 C ATOM 715 CE3 TRP A 48 -2.624 2.321 8.285 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -0.385 3.379 6.927 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -2.567 3.655 7.920 1.00 0.00 C ATOM 718 CH2 TRP A 48 -1.452 4.171 7.248 1.00 0.00 C ATOM 0 H TRP A 48 -1.318 -2.529 7.124 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.765 -2.257 8.545 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.754 -0.389 9.602 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.515 -1.611 9.405 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.485 -1.076 7.654 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.368 1.129 6.639 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.486 1.930 8.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.471 3.780 6.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.394 4.307 8.157 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.435 5.216 6.978 1.00 0.00 H new ATOM 729 N TYR A 49 -3.404 -0.497 5.821 1.00 0.00 N ATOM 730 CA TYR A 49 -4.105 0.380 4.888 1.00 0.00 C ATOM 731 C TYR A 49 -5.486 -0.176 4.582 1.00 0.00 C ATOM 732 O TYR A 49 -6.494 0.517 4.706 1.00 0.00 O ATOM 733 CB TYR A 49 -3.321 0.538 3.580 1.00 0.00 C ATOM 734 CG TYR A 49 -3.846 1.656 2.700 1.00 0.00 C ATOM 735 CD1 TYR A 49 -3.976 2.944 3.210 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.237 1.432 1.376 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.469 3.973 2.435 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.735 2.459 0.602 1.00 0.00 C ATOM 739 CZ TYR A 49 -4.851 3.725 1.135 1.00 0.00 C ATOM 740 OH TYR A 49 -5.350 4.750 0.368 1.00 0.00 O ATOM 0 H TYR A 49 -2.532 -0.885 5.461 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.199 1.359 5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.273 0.729 3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.359 -0.400 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.686 3.142 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.148 0.442 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.555 4.968 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.033 2.272 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.273 4.940 0.637 1.00 0.00 H new ATOM 750 N LEU A 50 -5.519 -1.442 4.199 1.00 0.00 N ATOM 751 CA LEU A 50 -6.763 -2.118 3.862 1.00 0.00 C ATOM 752 C LEU A 50 -7.685 -2.192 5.067 1.00 0.00 C ATOM 753 O LEU A 50 -8.895 -2.068 4.931 1.00 0.00 O ATOM 754 CB LEU A 50 -6.470 -3.519 3.337 1.00 0.00 C ATOM 755 CG LEU A 50 -5.334 -3.579 2.325 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.931 -5.015 2.067 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.724 -2.875 1.033 1.00 0.00 C ATOM 0 H LEU A 50 -4.689 -2.028 4.113 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.266 -1.543 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.227 -4.167 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.373 -3.919 2.877 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.472 -3.056 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.118 -5.040 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.600 -5.473 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.785 -5.568 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.897 -2.930 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.602 -3.360 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.953 -1.830 1.243 1.00 0.00 H new ATOM 769 N LYS A 51 -7.104 -2.394 6.239 1.00 0.00 N ATOM 770 CA LYS A 51 -7.880 -2.469 7.475 1.00 0.00 C ATOM 771 C LYS A 51 -8.518 -1.121 7.801 1.00 0.00 C ATOM 772 O LYS A 51 -9.578 -1.053 8.426 1.00 0.00 O ATOM 773 CB LYS A 51 -6.988 -2.914 8.636 1.00 0.00 C ATOM 774 CG LYS A 51 -7.205 -4.355 9.070 1.00 0.00 C ATOM 775 CD LYS A 51 -6.842 -5.335 7.967 1.00 0.00 C ATOM 776 CE LYS A 51 -8.078 -5.875 7.263 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.164 -6.227 8.217 1.00 0.00 N ATOM 0 H LYS A 51 -6.098 -2.509 6.364 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.673 -3.202 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.945 -2.786 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.166 -2.259 9.489 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.603 -4.563 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.248 -4.496 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.196 -4.842 7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.273 -6.163 8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.445 -5.130 6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.807 -6.757 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.819 -6.898 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.752 -6.664 9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.682 -5.366 8.487 1.00 0.00 H new ATOM 791 N GLU A 52 -7.867 -0.054 7.373 1.00 0.00 N ATOM 792 CA GLU A 52 -8.355 1.299 7.618 1.00 0.00 C ATOM 793 C GLU A 52 -9.374 1.723 6.567 1.00 0.00 C ATOM 794 O GLU A 52 -10.335 2.434 6.868 1.00 0.00 O ATOM 795 CB GLU A 52 -7.191 2.294 7.640 1.00 0.00 C ATOM 796 CG GLU A 52 -6.270 2.132 8.838 1.00 0.00 C ATOM 797 CD GLU A 52 -7.027 2.061 10.145 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.502 3.110 10.616 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.151 0.952 10.705 1.00 0.00 O ATOM 0 H GLU A 52 -6.992 -0.095 6.850 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.846 1.298 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.608 2.177 6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.591 3.308 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.676 1.226 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.572 2.968 8.871 1.00 0.00 H new ATOM 806 N ILE A 53 -9.165 1.296 5.332 1.00 0.00 N ATOM 807 CA ILE A 53 -10.065 1.661 4.247 1.00 0.00 C ATOM 808 C ILE A 53 -11.229 0.690 4.115 1.00 0.00 C ATOM 809 O ILE A 53 -12.206 0.984 3.442 1.00 0.00 O ATOM 810 CB ILE A 53 -9.328 1.741 2.894 1.00 0.00 C ATOM 811 CG1 ILE A 53 -8.726 0.377 2.536 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.248 2.816 2.941 1.00 0.00 C ATOM 813 CD1 ILE A 53 -7.911 0.376 1.262 1.00 0.00 C ATOM 0 H ILE A 53 -8.385 0.700 5.056 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.454 2.646 4.504 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.045 2.013 2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.094 0.044 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.533 -0.350 2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.737 2.860 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.705 3.782 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.529 2.575 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.521 -0.625 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.542 0.677 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.081 1.076 1.360 1.00 0.00 H new ATOM 825 N GLU A 54 -11.143 -0.456 4.766 1.00 0.00 N ATOM 826 CA GLU A 54 -12.208 -1.454 4.678 1.00 0.00 C ATOM 827 C GLU A 54 -13.539 -0.895 5.185 1.00 0.00 C ATOM 828 O GLU A 54 -14.608 -1.358 4.792 1.00 0.00 O ATOM 829 CB GLU A 54 -11.822 -2.716 5.449 1.00 0.00 C ATOM 830 CG GLU A 54 -11.967 -2.598 6.954 1.00 0.00 C ATOM 831 CD GLU A 54 -11.689 -3.905 7.658 1.00 0.00 C ATOM 832 OE1 GLU A 54 -12.527 -4.820 7.566 1.00 0.00 O ATOM 833 OE2 GLU A 54 -10.632 -4.024 8.308 1.00 0.00 O ATOM 0 H GLU A 54 -10.356 -0.723 5.358 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.338 -1.714 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.440 -3.544 5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.788 -2.969 5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.283 -1.835 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.976 -2.265 7.195 1.00 0.00 H new ATOM 840 N SER A 55 -13.466 0.117 6.038 1.00 0.00 N ATOM 841 CA SER A 55 -14.655 0.742 6.589 1.00 0.00 C ATOM 842 C SER A 55 -15.266 1.732 5.598 1.00 0.00 C ATOM 843 O SER A 55 -16.466 2.004 5.643 1.00 0.00 O ATOM 844 CB SER A 55 -14.293 1.445 7.894 1.00 0.00 C ATOM 845 OG SER A 55 -12.913 1.278 8.183 1.00 0.00 O ATOM 0 H SER A 55 -12.589 0.523 6.364 1.00 0.00 H new ATOM 0 HA SER A 55 -15.401 -0.028 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.529 2.507 7.820 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.893 1.041 8.710 1.00 0.00 H new ATOM 0 HG SER A 55 -12.697 1.736 9.022 1.00 0.00 H new ATOM 851 N GLU A 56 -14.441 2.252 4.690 1.00 0.00 N ATOM 852 CA GLU A 56 -14.908 3.217 3.692 1.00 0.00 C ATOM 853 C GLU A 56 -15.236 2.501 2.386 1.00 0.00 C ATOM 854 O GLU A 56 -15.926 3.041 1.518 1.00 0.00 O ATOM 855 CB GLU A 56 -13.854 4.305 3.431 1.00 0.00 C ATOM 856 CG GLU A 56 -12.604 3.791 2.733 1.00 0.00 C ATOM 857 CD GLU A 56 -11.795 4.880 2.060 1.00 0.00 C ATOM 858 OE1 GLU A 56 -11.734 6.005 2.596 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.208 4.614 0.987 1.00 0.00 O ATOM 0 H GLU A 56 -13.449 2.023 4.624 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.806 3.695 4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.300 5.093 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.569 4.757 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.975 3.280 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.893 3.051 1.987 1.00 0.00 H new ATOM 866 N ILE A 57 -14.722 1.290 2.249 1.00 0.00 N ATOM 867 CA ILE A 57 -14.945 0.497 1.058 1.00 0.00 C ATOM 868 C ILE A 57 -16.244 -0.286 1.167 1.00 0.00 C ATOM 869 O ILE A 57 -16.299 -1.350 1.792 1.00 0.00 O ATOM 870 CB ILE A 57 -13.779 -0.479 0.796 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.461 0.276 0.592 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.075 -1.353 -0.406 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.553 1.428 -0.385 1.00 0.00 C ATOM 0 H ILE A 57 -14.144 0.835 2.955 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.009 1.191 0.220 1.00 0.00 H new ATOM 0 HB ILE A 57 -13.673 -1.116 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.120 0.657 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.704 -0.425 0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.241 -2.034 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -14.982 -1.928 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.215 -0.726 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.579 1.909 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.862 1.054 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.284 2.152 -0.026 1.00 0.00 H new ATOM 885 N ASP A 58 -17.286 0.253 0.565 1.00 0.00 N ATOM 886 CA ASP A 58 -18.586 -0.394 0.574 1.00 0.00 C ATOM 887 C ASP A 58 -18.751 -1.197 -0.704 1.00 0.00 C ATOM 888 O ASP A 58 -19.655 -2.022 -0.832 1.00 0.00 O ATOM 889 CB ASP A 58 -19.702 0.641 0.704 1.00 0.00 C ATOM 890 CG ASP A 58 -21.069 0.004 0.851 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.281 -0.746 1.826 1.00 0.00 O ATOM 892 OD2 ASP A 58 -21.943 0.255 -0.008 1.00 0.00 O ATOM 0 H ASP A 58 -17.259 1.140 0.062 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.649 -1.063 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.506 1.276 1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.698 1.287 -0.174 1.00 0.00 H new ATOM 897 N SER A 59 -17.849 -0.954 -1.642 1.00 0.00 N ATOM 898 CA SER A 59 -17.858 -1.636 -2.918 1.00 0.00 C ATOM 899 C SER A 59 -16.494 -2.262 -3.146 1.00 0.00 C ATOM 900 O SER A 59 -15.473 -1.581 -3.031 1.00 0.00 O ATOM 901 CB SER A 59 -18.184 -0.643 -4.033 1.00 0.00 C ATOM 902 OG SER A 59 -18.618 0.602 -3.499 1.00 0.00 O ATOM 0 H SER A 59 -17.092 -0.278 -1.536 1.00 0.00 H new ATOM 0 HA SER A 59 -18.619 -2.416 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.303 -0.488 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.960 -1.056 -4.677 1.00 0.00 H new ATOM 0 HG SER A 59 -18.819 1.220 -4.232 1.00 0.00 H new ATOM 908 N GLU A 60 -16.471 -3.545 -3.475 1.00 0.00 N ATOM 909 CA GLU A 60 -15.220 -4.260 -3.694 1.00 0.00 C ATOM 910 C GLU A 60 -14.351 -3.593 -4.747 1.00 0.00 C ATOM 911 O GLU A 60 -13.132 -3.583 -4.617 1.00 0.00 O ATOM 912 CB GLU A 60 -15.481 -5.710 -4.081 1.00 0.00 C ATOM 913 CG GLU A 60 -15.194 -6.670 -2.946 1.00 0.00 C ATOM 914 CD GLU A 60 -16.231 -6.582 -1.844 1.00 0.00 C ATOM 915 OE1 GLU A 60 -16.048 -5.773 -0.910 1.00 0.00 O ATOM 916 OE2 GLU A 60 -17.245 -7.303 -1.926 1.00 0.00 O ATOM 0 H GLU A 60 -17.308 -4.115 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.677 -4.233 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.520 -5.819 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.862 -5.971 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.164 -7.688 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.208 -6.457 -2.533 1.00 0.00 H new ATOM 923 N GLU A 61 -14.974 -3.025 -5.774 1.00 0.00 N ATOM 924 CA GLU A 61 -14.239 -2.357 -6.844 1.00 0.00 C ATOM 925 C GLU A 61 -13.305 -1.290 -6.285 1.00 0.00 C ATOM 926 O GLU A 61 -12.197 -1.106 -6.785 1.00 0.00 O ATOM 927 CB GLU A 61 -15.204 -1.743 -7.855 1.00 0.00 C ATOM 928 CG GLU A 61 -15.801 -2.769 -8.803 1.00 0.00 C ATOM 929 CD GLU A 61 -16.783 -2.171 -9.787 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.034 -0.948 -9.733 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.318 -2.926 -10.626 1.00 0.00 O ATOM 0 H GLU A 61 -15.987 -3.013 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.632 -3.106 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.009 -1.238 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.680 -0.983 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.997 -3.257 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.304 -3.542 -8.222 1.00 0.00 H new ATOM 938 N GLU A 62 -13.752 -0.606 -5.237 1.00 0.00 N ATOM 939 CA GLU A 62 -12.948 0.424 -4.594 1.00 0.00 C ATOM 940 C GLU A 62 -11.727 -0.201 -3.928 1.00 0.00 C ATOM 941 O GLU A 62 -10.605 0.290 -4.074 1.00 0.00 O ATOM 942 CB GLU A 62 -13.773 1.171 -3.550 1.00 0.00 C ATOM 943 CG GLU A 62 -14.820 2.091 -4.140 1.00 0.00 C ATOM 944 CD GLU A 62 -14.217 3.213 -4.959 1.00 0.00 C ATOM 945 OE1 GLU A 62 -13.628 4.139 -4.365 1.00 0.00 O ATOM 946 OE2 GLU A 62 -14.332 3.175 -6.201 1.00 0.00 O ATOM 0 H GLU A 62 -14.670 -0.748 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.620 1.129 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.265 0.445 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.102 1.756 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.495 1.510 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.420 2.516 -3.335 1.00 0.00 H new ATOM 953 N LEU A 63 -11.955 -1.284 -3.192 1.00 0.00 N ATOM 954 CA LEU A 63 -10.871 -1.987 -2.508 1.00 0.00 C ATOM 955 C LEU A 63 -9.919 -2.608 -3.510 1.00 0.00 C ATOM 956 O LEU A 63 -8.705 -2.440 -3.403 1.00 0.00 O ATOM 957 CB LEU A 63 -11.419 -3.063 -1.573 1.00 0.00 C ATOM 958 CG LEU A 63 -10.387 -3.663 -0.615 1.00 0.00 C ATOM 959 CD1 LEU A 63 -9.706 -2.573 0.197 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.040 -4.670 0.308 1.00 0.00 C ATOM 0 H LEU A 63 -12.878 -1.695 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.326 -1.256 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.233 -2.636 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.846 -3.865 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.630 -4.174 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.977 -3.023 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.200 -1.881 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.453 -2.033 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.291 -5.086 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.819 -4.178 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.482 -5.472 -0.283 1.00 0.00 H new ATOM 972 N ILE A 64 -10.471 -3.332 -4.474 1.00 0.00 N ATOM 973 CA ILE A 64 -9.669 -3.957 -5.515 1.00 0.00 C ATOM 974 C ILE A 64 -8.814 -2.904 -6.225 1.00 0.00 C ATOM 975 O ILE A 64 -7.662 -3.160 -6.582 1.00 0.00 O ATOM 976 CB ILE A 64 -10.570 -4.711 -6.517 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.272 -5.857 -5.781 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.760 -5.236 -7.697 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.623 -6.229 -6.342 1.00 0.00 C ATOM 0 H ILE A 64 -11.474 -3.501 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.002 -4.686 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.315 -4.025 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.628 -6.736 -5.806 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.392 -5.580 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.420 -5.762 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.287 -4.401 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.992 -5.920 -7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -13.046 -7.048 -5.760 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.288 -5.367 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.512 -6.541 -7.380 1.00 0.00 H new ATOM 991 N ASN A 65 -9.377 -1.713 -6.391 1.00 0.00 N ATOM 992 CA ASN A 65 -8.661 -0.607 -7.015 1.00 0.00 C ATOM 993 C ASN A 65 -7.572 -0.090 -6.076 1.00 0.00 C ATOM 994 O ASN A 65 -6.431 0.114 -6.483 1.00 0.00 O ATOM 995 CB ASN A 65 -9.626 0.533 -7.373 1.00 0.00 C ATOM 996 CG ASN A 65 -8.938 1.890 -7.435 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.324 2.241 -8.442 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.050 2.663 -6.361 1.00 0.00 N ATOM 0 H ASN A 65 -10.329 -1.488 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.200 -0.972 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.090 0.321 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.427 0.570 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.618 3.587 -6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.568 2.333 -5.547 1.00 0.00 H new ATOM 1005 N LYS A 66 -7.942 0.109 -4.811 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.015 0.602 -3.795 1.00 0.00 C ATOM 1007 C LYS A 66 -5.817 -0.327 -3.668 1.00 0.00 C ATOM 1008 O LYS A 66 -4.677 0.128 -3.604 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.728 0.730 -2.449 1.00 0.00 C ATOM 1010 CG LYS A 66 -7.322 1.964 -1.659 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.827 3.239 -2.314 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.584 4.112 -1.329 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.947 3.587 -1.053 1.00 0.00 N ATOM 0 H LYS A 66 -8.885 -0.066 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.658 1.586 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.804 0.756 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.521 -0.158 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.717 1.894 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.236 2.002 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.985 3.797 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.478 2.986 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.024 4.175 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.659 5.125 -1.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.230 3.846 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.620 3.995 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.946 2.551 -1.147 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.079 -1.631 -3.647 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.016 -2.623 -3.546 1.00 0.00 C ATOM 1029 C LYS A 67 -4.145 -2.589 -4.795 1.00 0.00 C ATOM 1030 O LYS A 67 -2.935 -2.798 -4.727 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.595 -4.025 -3.342 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.467 -4.137 -2.104 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.495 -5.552 -1.556 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.424 -5.661 -0.357 1.00 0.00 C ATOM 1035 NZ LYS A 67 -7.298 -6.968 0.342 1.00 0.00 N ATOM 0 H LYS A 67 -7.019 -2.024 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.402 -2.379 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.182 -4.300 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.777 -4.742 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.096 -3.458 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.482 -3.821 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.822 -6.240 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.488 -5.853 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.205 -4.855 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.454 -5.526 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.951 -6.993 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.533 -7.738 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.322 -7.088 0.681 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.765 -2.315 -5.934 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.034 -2.232 -7.185 1.00 0.00 C ATOM 1051 C ARG A 68 -3.095 -1.029 -7.159 1.00 0.00 C ATOM 1052 O ARG A 68 -1.939 -1.129 -7.569 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.994 -2.127 -8.375 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.604 -3.004 -9.557 1.00 0.00 C ATOM 1055 CD ARG A 68 -3.221 -2.660 -10.088 1.00 0.00 C ATOM 1056 NE ARG A 68 -2.427 -3.858 -10.361 1.00 0.00 N ATOM 1057 CZ ARG A 68 -1.609 -4.430 -9.476 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -1.410 -3.882 -8.287 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -0.966 -5.547 -9.786 1.00 0.00 N ATOM 0 H ARG A 68 -5.768 -2.147 -6.015 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.447 -3.143 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.997 -2.401 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.039 -1.089 -8.704 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.627 -4.051 -9.255 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.338 -2.886 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.319 -2.073 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.699 -2.036 -9.363 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.504 -4.282 -11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.884 -3.014 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.782 -4.328 -7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.096 -5.972 -10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.341 -5.981 -9.107 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.594 0.096 -6.657 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.803 1.321 -6.579 1.00 0.00 C ATOM 1075 C ILE A 69 -1.705 1.204 -5.528 1.00 0.00 C ATOM 1076 O ILE A 69 -0.545 1.515 -5.804 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.676 2.553 -6.250 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.820 2.690 -7.258 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.833 3.824 -6.238 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.356 2.974 -8.671 1.00 0.00 C ATOM 0 H ILE A 69 -4.544 0.186 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.355 1.458 -7.563 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.102 2.409 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.407 1.771 -7.255 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.483 3.492 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.467 4.679 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.051 3.735 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.377 3.967 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.222 3.058 -9.328 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.795 3.908 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.717 2.160 -9.015 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.070 0.738 -4.334 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.110 0.596 -3.245 1.00 0.00 C ATOM 1094 C ILE A 70 0.050 -0.321 -3.643 1.00 0.00 C ATOM 1095 O ILE A 70 1.203 -0.043 -3.326 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.777 0.097 -1.936 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.832 0.297 -0.750 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.199 -1.358 -2.037 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.548 1.752 -0.448 1.00 0.00 C ATOM 0 H ILE A 70 -3.021 0.454 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.711 1.591 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.678 0.689 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.265 -0.172 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.109 -0.215 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.662 -1.669 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.915 -1.474 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.324 -1.978 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.128 1.821 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.086 2.221 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.481 2.264 -0.213 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.247 -1.395 -4.370 1.00 0.00 N ATOM 1112 CA GLU A 71 0.795 -2.315 -4.805 1.00 0.00 C ATOM 1113 C GLU A 71 1.572 -1.723 -5.976 1.00 0.00 C ATOM 1114 O GLU A 71 2.783 -1.904 -6.080 1.00 0.00 O ATOM 1115 CB GLU A 71 0.206 -3.674 -5.199 1.00 0.00 C ATOM 1116 CG GLU A 71 1.249 -4.643 -5.734 1.00 0.00 C ATOM 1117 CD GLU A 71 0.657 -5.954 -6.199 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -0.017 -5.966 -7.247 1.00 0.00 O ATOM 1119 OE2 GLU A 71 0.887 -6.983 -5.535 1.00 0.00 O ATOM 0 H GLU A 71 -1.190 -1.646 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 71 1.476 -2.469 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.282 -4.117 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.564 -3.524 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.779 -4.176 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.986 -4.840 -4.956 1.00 0.00 H new ATOM 1126 N LYS A 72 0.870 -1.006 -6.847 1.00 0.00 N ATOM 1127 CA LYS A 72 1.494 -0.391 -8.015 1.00 0.00 C ATOM 1128 C LYS A 72 2.599 0.570 -7.596 1.00 0.00 C ATOM 1129 O LYS A 72 3.725 0.485 -8.092 1.00 0.00 O ATOM 1130 CB LYS A 72 0.453 0.353 -8.858 1.00 0.00 C ATOM 1131 CG LYS A 72 0.956 0.750 -10.242 1.00 0.00 C ATOM 1132 CD LYS A 72 0.029 1.754 -10.917 1.00 0.00 C ATOM 1133 CE LYS A 72 -1.342 1.160 -11.208 1.00 0.00 C ATOM 1134 NZ LYS A 72 -2.174 2.066 -12.045 1.00 0.00 N ATOM 0 H LYS A 72 -0.132 -0.836 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 72 1.931 -1.188 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.430 -0.277 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.139 1.250 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.955 1.178 -10.156 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.043 -0.140 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.084 2.630 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.481 2.095 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.222 0.204 -11.717 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.857 0.959 -10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.099 1.625 -12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.310 2.970 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.695 2.238 -12.952 1.00 0.00 H new ATOM 1148 N VAL A 73 2.283 1.472 -6.671 1.00 0.00 N ATOM 1149 CA VAL A 73 3.260 2.443 -6.198 1.00 0.00 C ATOM 1150 C VAL A 73 4.403 1.754 -5.458 1.00 0.00 C ATOM 1151 O VAL A 73 5.560 2.109 -5.648 1.00 0.00 O ATOM 1152 CB VAL A 73 2.627 3.530 -5.297 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.649 4.378 -6.096 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.938 2.919 -4.086 1.00 0.00 C ATOM 0 H VAL A 73 1.363 1.549 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 73 3.655 2.939 -7.084 1.00 0.00 H new ATOM 0 HB VAL A 73 3.431 4.170 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.212 5.138 -5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.175 4.862 -6.919 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.858 3.743 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.505 3.711 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.149 2.244 -4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.666 2.363 -3.495 1.00 0.00 H new ATOM 1164 N ILE A 74 4.083 0.751 -4.642 1.00 0.00 N ATOM 1165 CA ILE A 74 5.106 0.023 -3.897 1.00 0.00 C ATOM 1166 C ILE A 74 6.023 -0.737 -4.855 1.00 0.00 C ATOM 1167 O ILE A 74 7.246 -0.754 -4.685 1.00 0.00 O ATOM 1168 CB ILE A 74 4.476 -0.955 -2.874 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.884 -0.177 -1.695 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.505 -1.967 -2.379 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.054 -1.031 -0.758 1.00 0.00 C ATOM 0 H ILE A 74 3.130 0.426 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 74 5.695 0.754 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 74 3.677 -1.503 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.695 0.283 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.264 0.633 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.036 -2.641 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.885 -2.542 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.330 -1.442 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.668 -0.412 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.222 -1.470 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.675 -1.825 -0.344 1.00 0.00 H new ATOM 1183 N HIS A 75 5.425 -1.347 -5.870 1.00 0.00 N ATOM 1184 CA HIS A 75 6.175 -2.095 -6.871 1.00 0.00 C ATOM 1185 C HIS A 75 7.099 -1.159 -7.644 1.00 0.00 C ATOM 1186 O HIS A 75 8.261 -1.478 -7.893 1.00 0.00 O ATOM 1187 CB HIS A 75 5.213 -2.815 -7.827 1.00 0.00 C ATOM 1188 CG HIS A 75 5.881 -3.453 -9.011 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.916 -4.358 -8.906 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.656 -3.298 -10.334 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.295 -4.731 -10.115 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.545 -4.102 -11.000 1.00 0.00 N ATOM 0 H HIS A 75 4.416 -1.338 -6.022 1.00 0.00 H new ATOM 0 HA HIS A 75 6.785 -2.845 -6.367 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.674 -3.582 -7.271 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.472 -2.100 -8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.912 -2.658 -10.785 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.085 -5.432 -10.341 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.615 -4.198 -12.013 1.00 0.00 H new ATOM 1201 N ARG A 76 6.575 -0.003 -8.021 1.00 0.00 N ATOM 1202 CA ARG A 76 7.356 0.986 -8.747 1.00 0.00 C ATOM 1203 C ARG A 76 8.439 1.562 -7.835 1.00 0.00 C ATOM 1204 O ARG A 76 9.570 1.794 -8.261 1.00 0.00 O ATOM 1205 CB ARG A 76 6.436 2.090 -9.271 1.00 0.00 C ATOM 1206 CG ARG A 76 7.153 3.160 -10.074 1.00 0.00 C ATOM 1207 CD ARG A 76 6.230 4.318 -10.407 1.00 0.00 C ATOM 1208 NE ARG A 76 5.502 4.110 -11.657 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.175 5.092 -12.498 1.00 0.00 C ATOM 1210 NH1 ARG A 76 5.526 6.348 -12.230 1.00 0.00 N ATOM 1211 NH2 ARG A 76 4.500 4.816 -13.608 1.00 0.00 N ATOM 0 H ARG A 76 5.611 0.273 -7.836 1.00 0.00 H new ATOM 0 HA ARG A 76 7.843 0.512 -9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.663 1.640 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.932 2.560 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.010 3.527 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.541 2.726 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.518 4.456 -9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 76 6.814 5.235 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 76 5.228 3.158 -11.900 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.047 6.562 -11.379 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.274 7.097 -12.875 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.232 3.854 -13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.249 5.566 -14.252 1.00 0.00 H new ATOM 1225 N LEU A 77 8.077 1.766 -6.578 1.00 0.00 N ATOM 1226 CA LEU A 77 8.982 2.293 -5.566 1.00 0.00 C ATOM 1227 C LEU A 77 10.181 1.368 -5.366 1.00 0.00 C ATOM 1228 O LEU A 77 11.325 1.819 -5.307 1.00 0.00 O ATOM 1229 CB LEU A 77 8.211 2.434 -4.245 1.00 0.00 C ATOM 1230 CG LEU A 77 8.837 3.324 -3.168 1.00 0.00 C ATOM 1231 CD1 LEU A 77 7.759 3.839 -2.227 1.00 0.00 C ATOM 1232 CD2 LEU A 77 9.878 2.564 -2.372 1.00 0.00 C ATOM 0 H LEU A 77 7.139 1.569 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 77 9.357 3.263 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.218 2.823 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.074 1.438 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 77 9.323 4.164 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.214 4.471 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.030 4.420 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.260 2.996 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.307 3.220 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.411 1.706 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.666 2.218 -3.041 1.00 0.00 H new ATOM 1244 N THR A 78 9.909 0.070 -5.290 1.00 0.00 N ATOM 1245 CA THR A 78 10.945 -0.928 -5.055 1.00 0.00 C ATOM 1246 C THR A 78 11.655 -1.384 -6.334 1.00 0.00 C ATOM 1247 O THR A 78 12.511 -2.267 -6.280 1.00 0.00 O ATOM 1248 CB THR A 78 10.355 -2.164 -4.346 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.144 -2.570 -4.998 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.067 -1.863 -2.882 1.00 0.00 C ATOM 0 H THR A 78 8.971 -0.318 -5.389 1.00 0.00 H new ATOM 0 HA THR A 78 11.687 -0.440 -4.423 1.00 0.00 H new ATOM 0 HB THR A 78 11.087 -2.969 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.385 -2.087 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.652 -2.750 -2.403 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.992 -1.579 -2.380 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.351 -1.044 -2.813 1.00 0.00 H new ATOM 1258 N HIS A 79 11.328 -0.788 -7.475 1.00 0.00 N ATOM 1259 CA HIS A 79 11.962 -1.197 -8.726 1.00 0.00 C ATOM 1260 C HIS A 79 12.441 -0.004 -9.544 1.00 0.00 C ATOM 1261 O HIS A 79 13.639 0.219 -9.690 1.00 0.00 O ATOM 1262 CB HIS A 79 10.985 -2.029 -9.565 1.00 0.00 C ATOM 1263 CG HIS A 79 11.643 -2.968 -10.535 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.213 -2.564 -11.726 1.00 0.00 N ATOM 1265 CD2 HIS A 79 11.795 -4.311 -10.489 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.679 -3.619 -12.368 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.439 -4.691 -11.637 1.00 0.00 N ATOM 0 H HIS A 79 10.644 -0.037 -7.562 1.00 0.00 H new ATOM 0 HA HIS A 79 12.834 -1.796 -8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.349 -2.606 -8.894 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.333 -1.353 -10.118 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.469 -4.964 -9.693 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.173 -3.607 -13.328 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.692 -5.647 -11.886 1.00 0.00 H new ATOM 1276 N TYR A 80 11.493 0.763 -10.059 1.00 0.00 N ATOM 1277 CA TYR A 80 11.799 1.903 -10.913 1.00 0.00 C ATOM 1278 C TYR A 80 12.385 3.082 -10.137 1.00 0.00 C ATOM 1279 O TYR A 80 13.549 3.433 -10.322 1.00 0.00 O ATOM 1280 CB TYR A 80 10.534 2.347 -11.652 1.00 0.00 C ATOM 1281 CG TYR A 80 9.873 1.248 -12.457 1.00 0.00 C ATOM 1282 CD1 TYR A 80 10.283 0.972 -13.753 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.840 0.489 -11.920 1.00 0.00 C ATOM 1284 CE1 TYR A 80 9.681 -0.027 -14.494 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.236 -0.513 -12.654 1.00 0.00 C ATOM 1286 CZ TYR A 80 8.661 -0.765 -13.941 1.00 0.00 C ATOM 1287 OH TYR A 80 8.058 -1.758 -14.679 1.00 0.00 O ATOM 0 H TYR A 80 10.496 0.616 -9.899 1.00 0.00 H new ATOM 0 HA TYR A 80 12.559 1.578 -11.624 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.818 2.732 -10.926 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.786 3.171 -12.320 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.086 1.547 -14.190 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.504 0.686 -10.913 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.010 -0.227 -15.503 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.436 -1.096 -12.222 1.00 0.00 H new ATOM 0 HH TYR A 80 7.357 -2.185 -14.143 1.00 0.00 H new ATOM 1297 N ASP A 81 11.574 3.683 -9.271 1.00 0.00 N ATOM 1298 CA ASP A 81 11.999 4.846 -8.490 1.00 0.00 C ATOM 1299 C ASP A 81 13.224 4.540 -7.637 1.00 0.00 C ATOM 1300 O ASP A 81 14.156 5.341 -7.576 1.00 0.00 O ATOM 1301 CB ASP A 81 10.854 5.351 -7.609 1.00 0.00 C ATOM 1302 CG ASP A 81 9.876 6.220 -8.380 1.00 0.00 C ATOM 1303 OD1 ASP A 81 10.151 7.424 -8.552 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.833 5.697 -8.830 1.00 0.00 O ATOM 0 H ASP A 81 10.616 3.384 -9.090 1.00 0.00 H new ATOM 0 HA ASP A 81 12.275 5.628 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.323 4.500 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.264 5.921 -6.775 1.00 0.00 H new ATOM 1309 N HIS A 82 13.215 3.384 -6.976 1.00 0.00 N ATOM 1310 CA HIS A 82 14.333 2.959 -6.127 1.00 0.00 C ATOM 1311 C HIS A 82 14.544 3.921 -4.961 1.00 0.00 C ATOM 1312 O HIS A 82 15.670 4.122 -4.504 1.00 0.00 O ATOM 1313 CB HIS A 82 15.632 2.830 -6.937 1.00 0.00 C ATOM 1314 CG HIS A 82 15.969 1.426 -7.324 1.00 0.00 C ATOM 1315 ND1 HIS A 82 15.832 0.262 -6.648 1.00 0.00 N flip ATOM 1316 CD2 HIS A 82 16.531 1.099 -8.535 1.00 0.00 C flip ATOM 1317 CE1 HIS A 82 16.309 -0.734 -7.459 1.00 0.00 C flip ATOM 1318 NE2 HIS A 82 16.728 -0.203 -8.590 1.00 0.00 N flip ATOM 0 H HIS A 82 12.442 2.719 -7.011 1.00 0.00 H new ATOM 0 HA HIS A 82 14.073 1.979 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.547 3.435 -7.840 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.455 3.243 -6.353 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.774 1.800 -9.320 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.337 -1.785 -7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.135 -0.713 -9.374 1.00 0.00 H new ATOM 1327 N VAL A 83 13.454 4.491 -4.464 1.00 0.00 N ATOM 1328 CA VAL A 83 13.515 5.426 -3.344 1.00 0.00 C ATOM 1329 C VAL A 83 13.373 4.662 -2.021 1.00 0.00 C ATOM 1330 O VAL A 83 13.153 5.236 -0.950 1.00 0.00 O ATOM 1331 CB VAL A 83 12.422 6.518 -3.480 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.036 5.937 -3.269 1.00 0.00 C ATOM 1333 CG2 VAL A 83 12.674 7.684 -2.531 1.00 0.00 C ATOM 0 H VAL A 83 12.513 4.322 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 83 14.483 5.927 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 83 12.474 6.904 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.291 6.726 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.849 5.163 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.971 5.503 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.889 8.430 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.673 7.323 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.641 8.135 -2.757 1.00 0.00 H new ATOM 1343 N LEU A 84 13.516 3.347 -2.114 1.00 0.00 N ATOM 1344 CA LEU A 84 13.416 2.471 -0.957 1.00 0.00 C ATOM 1345 C LEU A 84 14.783 2.258 -0.322 1.00 0.00 C ATOM 1346 O LEU A 84 15.809 2.241 -1.007 1.00 0.00 O ATOM 1347 CB LEU A 84 12.829 1.112 -1.357 1.00 0.00 C ATOM 1348 CG LEU A 84 13.788 0.172 -2.102 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.428 -1.281 -1.836 1.00 0.00 C ATOM 1350 CD2 LEU A 84 13.765 0.454 -3.593 1.00 0.00 C ATOM 0 H LEU A 84 13.704 2.860 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 84 12.756 2.950 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.480 0.607 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.955 1.284 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 84 14.797 0.354 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.119 -1.931 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.496 -1.483 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.411 -1.472 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.451 -0.223 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.756 0.303 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.071 1.484 -3.773 1.00 0.00 H new ATOM 1362 N ILE A 85 14.787 2.103 0.989 1.00 0.00 N ATOM 1363 CA ILE A 85 16.008 1.869 1.730 1.00 0.00 C ATOM 1364 C ILE A 85 15.930 0.517 2.423 1.00 0.00 C ATOM 1365 O ILE A 85 14.941 0.209 3.088 1.00 0.00 O ATOM 1366 CB ILE A 85 16.248 2.967 2.788 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.057 4.354 2.175 1.00 0.00 C ATOM 1368 CG2 ILE A 85 17.642 2.838 3.385 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.629 5.406 3.175 1.00 0.00 C ATOM 0 H ILE A 85 13.947 2.136 1.566 1.00 0.00 H new ATOM 0 HA ILE A 85 16.838 1.887 1.024 1.00 0.00 H new ATOM 0 HB ILE A 85 15.517 2.839 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 85 16.991 4.667 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.310 4.292 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 85 17.793 3.620 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 85 17.746 1.862 3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.387 2.939 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.513 6.364 2.668 1.00 0.00 H new ATOM 0 HD12 ILE A 85 14.679 5.116 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.386 5.497 3.954 1.00 0.00 H new ATOM 1381 N GLU A 86 16.954 -0.296 2.242 1.00 0.00 N ATOM 1382 CA GLU A 86 16.998 -1.606 2.867 1.00 0.00 C ATOM 1383 C GLU A 86 18.396 -1.883 3.402 1.00 0.00 C ATOM 1384 O GLU A 86 19.387 -1.366 2.876 1.00 0.00 O ATOM 1385 CB GLU A 86 16.568 -2.703 1.885 1.00 0.00 C ATOM 1386 CG GLU A 86 17.463 -2.835 0.666 1.00 0.00 C ATOM 1387 CD GLU A 86 16.957 -3.882 -0.305 1.00 0.00 C ATOM 1388 OE1 GLU A 86 16.134 -3.538 -1.178 1.00 0.00 O ATOM 1389 OE2 GLU A 86 17.373 -5.058 -0.197 1.00 0.00 O ATOM 0 H GLU A 86 17.767 -0.073 1.667 1.00 0.00 H new ATOM 0 HA GLU A 86 16.294 -1.612 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.547 -3.657 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.550 -2.499 1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.527 -1.872 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.472 -3.095 0.985 1.00 0.00 H new ATOM 1672 N TYR A 107 14.971 -5.286 6.607 1.00 0.00 N ATOM 1673 CA TYR A 107 14.237 -4.091 6.982 1.00 0.00 C ATOM 1674 C TYR A 107 13.961 -3.210 5.774 1.00 0.00 C ATOM 1675 O TYR A 107 14.859 -2.940 4.974 1.00 0.00 O ATOM 1676 CB TYR A 107 15.017 -3.309 8.034 1.00 0.00 C ATOM 1677 CG TYR A 107 15.057 -3.995 9.375 1.00 0.00 C ATOM 1678 CD1 TYR A 107 13.882 -4.323 10.033 1.00 0.00 C ATOM 1679 CD2 TYR A 107 16.263 -4.307 9.986 1.00 0.00 C ATOM 1680 CE1 TYR A 107 13.904 -4.940 11.265 1.00 0.00 C ATOM 1681 CE2 TYR A 107 16.296 -4.928 11.219 1.00 0.00 C ATOM 1682 CZ TYR A 107 15.111 -5.241 11.855 1.00 0.00 C ATOM 1683 OH TYR A 107 15.132 -5.847 13.091 1.00 0.00 O ATOM 0 HA TYR A 107 13.278 -4.400 7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 107 16.037 -3.155 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.568 -2.323 8.151 1.00 0.00 H new ATOM 0 HD1 TYR A 107 12.933 -4.091 9.572 1.00 0.00 H new ATOM 0 HD2 TYR A 107 17.190 -4.060 9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.979 -5.186 11.765 1.00 0.00 H new ATOM 0 HE2 TYR A 107 17.242 -5.167 11.682 1.00 0.00 H new ATOM 0 HH TYR A 107 16.061 -5.993 13.368 1.00 0.00 H new ATOM 1693 N LEU A 108 12.715 -2.774 5.639 1.00 0.00 N ATOM 1694 CA LEU A 108 12.324 -1.917 4.538 1.00 0.00 C ATOM 1695 C LEU A 108 11.868 -0.562 5.063 1.00 0.00 C ATOM 1696 O LEU A 108 11.035 -0.478 5.969 1.00 0.00 O ATOM 1697 CB LEU A 108 11.208 -2.565 3.719 1.00 0.00 C ATOM 1698 CG LEU A 108 11.001 -1.962 2.328 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.207 -2.241 1.443 1.00 0.00 C ATOM 1700 CD2 LEU A 108 9.729 -2.507 1.694 1.00 0.00 C ATOM 0 H LEU A 108 11.958 -3.003 6.284 1.00 0.00 H new ATOM 0 HA LEU A 108 13.189 -1.774 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.426 -3.627 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.275 -2.486 4.276 1.00 0.00 H new ATOM 0 HG LEU A 108 10.895 -0.882 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.044 -1.805 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.097 -1.800 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.345 -3.318 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.598 -2.067 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.804 -3.591 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.873 -2.254 2.320 1.00 0.00 H new ATOM 1712 N VAL A 109 12.427 0.493 4.500 1.00 0.00 N ATOM 1713 CA VAL A 109 12.094 1.850 4.895 1.00 0.00 C ATOM 1714 C VAL A 109 12.091 2.754 3.667 1.00 0.00 C ATOM 1715 O VAL A 109 12.880 2.559 2.749 1.00 0.00 O ATOM 1716 CB VAL A 109 13.084 2.377 5.967 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.511 1.976 5.640 1.00 0.00 C ATOM 1718 CG2 VAL A 109 12.985 3.887 6.129 1.00 0.00 C ATOM 0 H VAL A 109 13.124 0.434 3.757 1.00 0.00 H new ATOM 0 HA VAL A 109 11.099 1.852 5.339 1.00 0.00 H new ATOM 0 HB VAL A 109 12.803 1.917 6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.182 2.359 6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.584 0.889 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 109 14.793 2.391 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.693 4.219 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.217 4.371 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 109 11.974 4.155 6.435 1.00 0.00 H new ATOM 1728 N VAL A 110 11.177 3.709 3.633 1.00 0.00 N ATOM 1729 CA VAL A 110 11.080 4.623 2.509 1.00 0.00 C ATOM 1730 C VAL A 110 11.679 5.977 2.870 1.00 0.00 C ATOM 1731 O VAL A 110 11.525 6.457 3.994 1.00 0.00 O ATOM 1732 CB VAL A 110 9.612 4.788 2.043 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.742 5.379 3.144 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.532 5.630 0.776 1.00 0.00 C ATOM 0 H VAL A 110 10.492 3.871 4.371 1.00 0.00 H new ATOM 0 HA VAL A 110 11.648 4.197 1.682 1.00 0.00 H new ATOM 0 HB VAL A 110 9.226 3.795 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.718 5.481 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.757 4.720 4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.127 6.359 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.490 5.730 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.950 6.618 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.098 5.145 -0.019 1.00 0.00 H new ATOM 1744 N ASN A 111 12.394 6.565 1.921 1.00 0.00 N ATOM 1745 CA ASN A 111 13.019 7.864 2.121 1.00 0.00 C ATOM 1746 C ASN A 111 11.947 8.940 2.251 1.00 0.00 C ATOM 1747 O ASN A 111 11.074 9.053 1.387 1.00 0.00 O ATOM 1748 CB ASN A 111 13.962 8.174 0.945 1.00 0.00 C ATOM 1749 CG ASN A 111 14.559 9.575 0.974 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.627 10.225 2.014 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.020 10.041 -0.176 1.00 0.00 N ATOM 0 H ASN A 111 12.556 6.159 0.999 1.00 0.00 H new ATOM 0 HA ASN A 111 13.604 7.847 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.773 7.446 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.415 8.044 0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.448 10.966 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.948 9.475 -1.021 1.00 0.00 H new ATOM 1758 N PRO A 112 11.983 9.725 3.346 1.00 0.00 N ATOM 1759 CA PRO A 112 11.020 10.808 3.588 1.00 0.00 C ATOM 1760 C PRO A 112 10.955 11.796 2.426 1.00 0.00 C ATOM 1761 O PRO A 112 9.987 12.547 2.289 1.00 0.00 O ATOM 1762 CB PRO A 112 11.555 11.495 4.843 1.00 0.00 C ATOM 1763 CG PRO A 112 12.356 10.449 5.537 1.00 0.00 C ATOM 1764 CD PRO A 112 12.952 9.598 4.452 1.00 0.00 C ATOM 0 HA PRO A 112 10.004 10.428 3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.168 12.360 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.742 11.855 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.135 10.898 6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.729 9.853 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.941 9.952 4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.065 8.562 4.770 1.00 0.00 H new ATOM 1772 N ASN A 113 11.983 11.779 1.583 1.00 0.00 N ATOM 1773 CA ASN A 113 12.037 12.655 0.418 1.00 0.00 C ATOM 1774 C ASN A 113 11.381 11.959 -0.769 1.00 0.00 C ATOM 1775 O ASN A 113 11.935 11.905 -1.867 1.00 0.00 O ATOM 1776 CB ASN A 113 13.485 13.024 0.077 1.00 0.00 C ATOM 1777 CG ASN A 113 14.113 13.962 1.090 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.342 14.924 1.578 1.00 0.00 O flip ATOM 1779 ND2 ASN A 113 15.292 13.829 1.423 1.00 0.00 N flip ATOM 0 H ASN A 113 12.792 11.166 1.686 1.00 0.00 H new ATOM 0 HA ASN A 113 11.499 13.575 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 113 14.081 12.113 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.513 13.491 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 113 15.853 13.076 1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 113 15.707 14.472 2.097 1.00 0.00 H new ATOM 1786 N TYR A 114 10.192 11.431 -0.523 1.00 0.00 N ATOM 1787 CA TYR A 114 9.425 10.710 -1.528 1.00 0.00 C ATOM 1788 C TYR A 114 8.837 11.661 -2.567 1.00 0.00 C ATOM 1789 O TYR A 114 8.563 12.828 -2.277 1.00 0.00 O ATOM 1790 CB TYR A 114 8.306 9.920 -0.839 1.00 0.00 C ATOM 1791 CG TYR A 114 7.572 8.953 -1.742 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.228 7.869 -2.312 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.222 9.124 -2.022 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.560 6.983 -3.135 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.548 8.244 -2.843 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.220 7.175 -3.397 1.00 0.00 C ATOM 1797 OH TYR A 114 5.550 6.299 -4.217 1.00 0.00 O ATOM 0 H TYR A 114 9.729 11.491 0.384 1.00 0.00 H new ATOM 0 HA TYR A 114 10.093 10.025 -2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 114 8.732 9.365 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 114 7.587 10.624 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.278 7.716 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.692 9.960 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.084 6.145 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.499 8.392 -3.051 1.00 0.00 H new ATOM 0 HH TYR A 114 4.614 6.577 -4.297 1.00 0.00 H new ATOM 1807 N LEU A 115 8.660 11.157 -3.779 1.00 0.00 N ATOM 1808 CA LEU A 115 8.097 11.942 -4.863 1.00 0.00 C ATOM 1809 C LEU A 115 7.032 11.133 -5.596 1.00 0.00 C ATOM 1810 O LEU A 115 6.832 9.956 -5.306 1.00 0.00 O ATOM 1811 CB LEU A 115 9.182 12.435 -5.851 1.00 0.00 C ATOM 1812 CG LEU A 115 10.336 11.475 -6.216 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.378 11.417 -5.109 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.834 10.077 -6.549 1.00 0.00 C ATOM 0 H LEU A 115 8.901 10.200 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 115 7.638 12.828 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.683 12.720 -6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.623 13.341 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 115 10.807 11.878 -7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.177 10.733 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.793 12.412 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.912 11.064 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.680 9.437 -6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.309 9.664 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.153 10.128 -7.399 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.385 -9.502 -2.900 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.833 -9.451 -3.050 1.00 0.00 C ATOM 2022 C LEU B 390 -7.499 -10.679 -2.431 1.00 0.00 C ATOM 2023 O LEU B 390 -8.723 -10.743 -2.334 1.00 0.00 O ATOM 2024 CB LEU B 390 -7.214 -9.331 -4.524 1.00 0.00 C ATOM 2025 CG LEU B 390 -8.265 -8.264 -4.831 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.667 -6.865 -4.723 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -8.855 -8.486 -6.212 1.00 0.00 C ATOM 0 HA LEU B 390 -7.191 -8.569 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -6.315 -9.112 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -7.586 -10.296 -4.868 1.00 0.00 H new ATOM 0 HG LEU B 390 -9.063 -8.348 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.434 -6.123 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.292 -6.707 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.847 -6.764 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -9.602 -7.719 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -8.063 -8.430 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -9.324 -9.469 -6.253 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.687 -11.643 -2.008 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.183 -12.875 -1.410 1.00 0.00 C ATOM 2041 C GLU B 391 -8.033 -12.582 -0.184 1.00 0.00 C ATOM 2042 O GLU B 391 -9.037 -13.236 0.049 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.020 -13.793 -1.026 1.00 0.00 C ATOM 2044 CG GLU B 391 -6.462 -15.175 -0.573 1.00 0.00 C ATOM 2045 CD GLU B 391 -5.428 -15.863 0.290 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -4.458 -16.422 -0.261 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -5.577 -15.848 1.530 1.00 0.00 O ATOM 0 H GLU B 391 -5.670 -11.591 -2.070 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.804 -13.378 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.352 -13.896 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -5.446 -13.324 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -7.395 -15.090 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -6.668 -15.791 -1.448 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.640 -11.587 0.590 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.391 -11.225 1.790 1.00 0.00 C ATOM 2056 C ARG B 392 -9.809 -10.766 1.430 1.00 0.00 C ATOM 2057 O ARG B 392 -10.732 -10.845 2.240 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.653 -10.133 2.563 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.419 -9.593 3.754 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.514 -8.798 4.683 1.00 0.00 C ATOM 2061 NE ARG B 392 -6.759 -9.661 5.590 1.00 0.00 N ATOM 2062 CZ ARG B 392 -5.727 -9.250 6.333 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -5.286 -8.000 6.229 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -5.122 -10.095 7.161 1.00 0.00 N ATOM 0 H ARG B 392 -6.813 -11.016 0.416 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.474 -12.108 2.424 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.698 -10.529 2.908 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.430 -9.310 1.884 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -9.234 -8.958 3.407 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -8.871 -10.419 4.303 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -6.820 -8.202 4.090 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.116 -8.100 5.265 1.00 0.00 H new ATOM 0 HE ARG B 392 -7.038 -10.640 5.660 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -5.735 -7.353 5.581 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -4.498 -7.688 6.797 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -5.445 -11.060 7.231 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.335 -9.779 7.727 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.977 -10.317 0.192 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.269 -9.843 -0.288 1.00 0.00 C ATOM 2080 C ILE B 393 -12.258 -10.996 -0.476 1.00 0.00 C ATOM 2081 O ILE B 393 -13.466 -10.793 -0.374 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.128 -9.045 -1.606 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.285 -7.790 -1.365 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.492 -8.672 -2.175 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.336 -6.789 -2.497 1.00 0.00 C ATOM 0 H ILE B 393 -9.230 -10.271 -0.501 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.662 -9.175 0.478 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.626 -9.677 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.626 -7.306 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.249 -8.086 -1.202 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.359 -8.112 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.062 -9.579 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.032 -8.058 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.714 -5.929 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.966 -7.254 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.365 -6.461 -2.647 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.763 -12.213 -0.714 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.662 -13.357 -0.889 1.00 0.00 C ATOM 2099 C ARG B 394 -13.441 -13.598 0.402 1.00 0.00 C ATOM 2100 O ARG B 394 -14.542 -14.150 0.387 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.910 -14.624 -1.334 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.982 -15.223 -0.288 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.633 -16.672 -0.602 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.625 -16.784 -1.658 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.828 -17.845 -1.818 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -8.938 -18.894 -1.009 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -7.926 -17.861 -2.796 1.00 0.00 N ATOM 0 H ARG B 394 -10.769 -12.430 -0.789 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.363 -13.120 -1.689 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -12.641 -15.379 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.326 -14.388 -2.223 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.067 -14.633 -0.234 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -11.456 -15.168 0.692 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.265 -17.159 0.301 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.535 -17.203 -0.906 1.00 0.00 H new ATOM 0 HE ARG B 394 -9.525 -16.006 -2.310 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -9.633 -18.892 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -8.328 -19.701 -1.135 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -7.842 -17.063 -3.425 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -7.319 -18.672 -2.916 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.861 -13.157 1.512 1.00 0.00 N ATOM 2122 CA ALA B 395 -13.496 -13.267 2.814 1.00 0.00 C ATOM 2123 C ALA B 395 -14.368 -12.040 3.051 1.00 0.00 C ATOM 2124 O ALA B 395 -15.430 -12.121 3.665 1.00 0.00 O ATOM 2125 CB ALA B 395 -12.450 -13.399 3.911 1.00 0.00 C ATOM 0 H ALA B 395 -11.942 -12.716 1.532 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.118 -14.162 2.836 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -12.946 -13.480 4.878 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -11.849 -14.291 3.735 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -11.805 -12.520 3.906 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.904 -10.901 2.544 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.632 -9.642 2.672 1.00 0.00 C ATOM 2133 C LYS B 396 -15.953 -9.714 1.913 1.00 0.00 C ATOM 2134 O LYS B 396 -16.975 -9.210 2.375 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.794 -8.478 2.135 1.00 0.00 C ATOM 2136 CG LYS B 396 -14.486 -7.125 2.247 1.00 0.00 C ATOM 2137 CD LYS B 396 -13.854 -6.090 1.329 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.323 -4.681 1.669 1.00 0.00 C ATOM 2139 NZ LYS B 396 -15.754 -4.472 1.326 1.00 0.00 N ATOM 0 H LYS B 396 -13.022 -10.824 2.038 1.00 0.00 H new ATOM 0 HA LYS B 396 -14.835 -9.473 3.730 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -12.850 -8.440 2.679 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -13.552 -8.668 1.089 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -15.542 -7.235 1.999 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.436 -6.775 3.278 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -12.768 -6.143 1.412 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.106 -6.318 0.293 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.175 -4.497 2.733 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -13.712 -3.956 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -16.001 -3.471 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -15.915 -4.737 0.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -16.349 -5.062 1.943 1.00 0.00 H new