USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 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 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.116 USER MOD Single : A 21 SER OG : rot 90:sc= 1.25 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.056 F(o=-0.72,f=-0.056) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 151:sc= -0.0752 (180deg=-0.596) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00603 USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= -1.57 (180deg=-3.48!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -114:sc= 0.769 (180deg=-0.578) USER MOD Single : A 55 SER OG : rot 72:sc= 0.14 USER MOD Single : A 59 SER OG : rot 66:sc= 1.29 USER MOD Single : A 65 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.19) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.17 (180deg=0.883) USER MOD Single : A 67 LYS NZ :NH3+ -109:sc= -2.03! (180deg=-5.27!) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -0.016 (180deg=-0.145) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 78 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HE2:sc= -0.232 F(o=-0.98,f=-0.23) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.112 K(o=-0.11,f=-2!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot -42:sc= 1.25 USER MOD Single : B 396 LYS NZ :NH3+ 176:sc= -0.115 (180deg=-0.312) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -8.269 11.704 -9.668 1.00 0.00 N ATOM 140 CA PHE A 14 -7.402 10.620 -9.218 1.00 0.00 C ATOM 141 C PHE A 14 -7.032 10.779 -7.744 1.00 0.00 C ATOM 142 O PHE A 14 -5.887 10.538 -7.359 1.00 0.00 O ATOM 143 CB PHE A 14 -6.128 10.551 -10.084 1.00 0.00 C ATOM 144 CG PHE A 14 -5.578 11.892 -10.493 1.00 0.00 C ATOM 145 CD1 PHE A 14 -4.814 12.645 -9.616 1.00 0.00 C ATOM 146 CD2 PHE A 14 -5.821 12.394 -11.763 1.00 0.00 C ATOM 147 CE1 PHE A 14 -4.306 13.871 -9.998 1.00 0.00 C ATOM 148 CE2 PHE A 14 -5.317 13.620 -12.148 1.00 0.00 C ATOM 149 CZ PHE A 14 -4.557 14.359 -11.264 1.00 0.00 C ATOM 0 HA PHE A 14 -7.954 9.686 -9.328 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.359 10.009 -9.534 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.345 9.972 -10.982 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.614 12.269 -8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.412 11.818 -12.460 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.712 14.448 -9.305 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.517 14.000 -13.139 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.159 15.318 -11.563 1.00 0.00 H new ATOM 159 N SER A 15 -8.010 11.146 -6.919 1.00 0.00 N ATOM 160 CA SER A 15 -7.776 11.337 -5.488 1.00 0.00 C ATOM 161 C SER A 15 -7.295 10.043 -4.840 1.00 0.00 C ATOM 162 O SER A 15 -6.616 10.066 -3.814 1.00 0.00 O ATOM 163 CB SER A 15 -9.053 11.812 -4.795 1.00 0.00 C ATOM 164 OG SER A 15 -9.603 12.948 -5.439 1.00 0.00 O ATOM 0 H SER A 15 -8.971 11.317 -7.215 1.00 0.00 H new ATOM 0 HA SER A 15 -7.003 12.097 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.786 11.006 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.835 12.052 -3.754 1.00 0.00 H new ATOM 0 HG SER A 15 -10.419 13.225 -4.973 1.00 0.00 H new ATOM 170 N GLU A 16 -7.667 8.918 -5.440 1.00 0.00 N ATOM 171 CA GLU A 16 -7.271 7.606 -4.947 1.00 0.00 C ATOM 172 C GLU A 16 -5.755 7.516 -4.865 1.00 0.00 C ATOM 173 O GLU A 16 -5.196 7.182 -3.821 1.00 0.00 O ATOM 174 CB GLU A 16 -7.802 6.509 -5.873 1.00 0.00 C ATOM 175 CG GLU A 16 -9.282 6.216 -5.703 1.00 0.00 C ATOM 176 CD GLU A 16 -10.159 7.431 -5.930 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.958 8.138 -6.941 1.00 0.00 O ATOM 178 OE2 GLU A 16 -11.044 7.693 -5.088 1.00 0.00 O ATOM 0 H GLU A 16 -8.249 8.890 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.694 7.466 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.617 6.800 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.239 5.593 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.573 5.430 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.457 5.832 -4.698 1.00 0.00 H new ATOM 185 N TYR A 17 -5.105 7.845 -5.973 1.00 0.00 N ATOM 186 CA TYR A 17 -3.649 7.816 -6.060 1.00 0.00 C ATOM 187 C TYR A 17 -3.024 8.729 -5.011 1.00 0.00 C ATOM 188 O TYR A 17 -2.069 8.347 -4.332 1.00 0.00 O ATOM 189 CB TYR A 17 -3.190 8.242 -7.457 1.00 0.00 C ATOM 190 CG TYR A 17 -3.543 7.250 -8.548 1.00 0.00 C ATOM 191 CD1 TYR A 17 -4.811 7.231 -9.120 1.00 0.00 C ATOM 192 CD2 TYR A 17 -2.605 6.331 -9.002 1.00 0.00 C ATOM 193 CE1 TYR A 17 -5.133 6.325 -10.114 1.00 0.00 C ATOM 194 CE2 TYR A 17 -2.919 5.423 -9.997 1.00 0.00 C ATOM 195 CZ TYR A 17 -4.185 5.423 -10.549 1.00 0.00 C ATOM 196 OH TYR A 17 -4.505 4.521 -11.541 1.00 0.00 O ATOM 0 H TYR A 17 -5.568 8.138 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.320 6.794 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.637 9.206 -7.698 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.110 8.386 -7.446 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -5.556 7.936 -8.782 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.615 6.326 -8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.122 6.324 -10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.177 4.717 -10.341 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.727 3.957 -11.734 1.00 0.00 H new ATOM 206 N SER A 18 -3.575 9.928 -4.880 1.00 0.00 N ATOM 207 CA SER A 18 -3.089 10.905 -3.917 1.00 0.00 C ATOM 208 C SER A 18 -3.246 10.395 -2.484 1.00 0.00 C ATOM 209 O SER A 18 -2.374 10.612 -1.639 1.00 0.00 O ATOM 210 CB SER A 18 -3.853 12.216 -4.096 1.00 0.00 C ATOM 211 OG SER A 18 -4.475 12.262 -5.370 1.00 0.00 O ATOM 0 H SER A 18 -4.368 10.249 -5.436 1.00 0.00 H new ATOM 0 HA SER A 18 -2.027 11.071 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.606 12.314 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.170 13.059 -3.988 1.00 0.00 H new ATOM 0 HG SER A 18 -4.961 13.108 -5.466 1.00 0.00 H new ATOM 217 N ARG A 19 -4.357 9.714 -2.224 1.00 0.00 N ATOM 218 CA ARG A 19 -4.635 9.168 -0.900 1.00 0.00 C ATOM 219 C ARG A 19 -3.623 8.092 -0.527 1.00 0.00 C ATOM 220 O ARG A 19 -3.081 8.097 0.579 1.00 0.00 O ATOM 221 CB ARG A 19 -6.048 8.592 -0.840 1.00 0.00 C ATOM 222 CG ARG A 19 -7.129 9.646 -0.673 1.00 0.00 C ATOM 223 CD ARG A 19 -8.483 9.012 -0.409 1.00 0.00 C ATOM 224 NE ARG A 19 -8.455 8.122 0.754 1.00 0.00 N ATOM 225 CZ ARG A 19 -9.457 7.320 1.099 1.00 0.00 C ATOM 226 NH1 ARG A 19 -10.560 7.264 0.362 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.359 6.563 2.182 1.00 0.00 N ATOM 0 H ARG A 19 -5.083 9.526 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.554 9.984 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.240 8.028 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.109 7.887 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.869 10.309 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.182 10.261 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.225 9.795 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.798 8.450 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.616 8.117 1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.643 7.839 -0.476 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.324 6.646 0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.514 6.595 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.129 5.948 2.446 1.00 0.00 H new ATOM 241 N ILE A 20 -3.380 7.164 -1.448 1.00 0.00 N ATOM 242 CA ILE A 20 -2.417 6.093 -1.215 1.00 0.00 C ATOM 243 C ILE A 20 -1.028 6.687 -0.981 1.00 0.00 C ATOM 244 O ILE A 20 -0.309 6.292 -0.063 1.00 0.00 O ATOM 245 CB ILE A 20 -2.372 5.099 -2.407 1.00 0.00 C ATOM 246 CG1 ILE A 20 -3.415 3.995 -2.229 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.988 4.480 -2.559 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.825 4.404 -2.593 1.00 0.00 C ATOM 0 H ILE A 20 -3.835 7.132 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.734 5.542 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.600 5.662 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.129 3.139 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.402 3.664 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.989 3.789 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.255 5.267 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.729 3.941 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.500 3.562 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.135 5.239 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.857 4.706 -3.640 1.00 0.00 H new ATOM 260 N SER A 21 -0.673 7.655 -1.816 1.00 0.00 N ATOM 261 CA SER A 21 0.617 8.331 -1.718 1.00 0.00 C ATOM 262 C SER A 21 0.772 9.027 -0.365 1.00 0.00 C ATOM 263 O SER A 21 1.854 9.024 0.228 1.00 0.00 O ATOM 264 CB SER A 21 0.763 9.344 -2.854 1.00 0.00 C ATOM 265 OG SER A 21 0.568 8.724 -4.115 1.00 0.00 O ATOM 0 H SER A 21 -1.265 7.993 -2.575 1.00 0.00 H new ATOM 0 HA SER A 21 1.404 7.581 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.039 10.148 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.753 9.798 -2.817 1.00 0.00 H new ATOM 0 HG SER A 21 -0.382 8.759 -4.353 1.00 0.00 H new ATOM 271 N ASN A 22 -0.316 9.612 0.128 1.00 0.00 N ATOM 272 CA ASN A 22 -0.296 10.300 1.416 1.00 0.00 C ATOM 273 C ASN A 22 -0.153 9.289 2.546 1.00 0.00 C ATOM 274 O ASN A 22 0.473 9.568 3.564 1.00 0.00 O ATOM 275 CB ASN A 22 -1.566 11.135 1.604 1.00 0.00 C ATOM 276 CG ASN A 22 -1.274 12.550 2.073 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.270 12.702 2.924 1.00 0.00 O flip ATOM 278 ND2 ASN A 22 -1.950 13.499 1.677 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.221 9.624 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 22 0.560 10.974 1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.112 11.175 0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.215 10.643 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.715 13.342 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.745 14.443 2.004 1.00 0.00 H new ATOM 285 N LEU A 23 -0.728 8.112 2.345 1.00 0.00 N ATOM 286 CA LEU A 23 -0.659 7.030 3.321 1.00 0.00 C ATOM 287 C LEU A 23 0.808 6.630 3.541 1.00 0.00 C ATOM 288 O LEU A 23 1.233 6.372 4.672 1.00 0.00 O ATOM 289 CB LEU A 23 -1.559 5.867 2.810 1.00 0.00 C ATOM 290 CG LEU A 23 -1.163 4.408 3.111 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.000 3.941 2.250 1.00 0.00 C ATOM 292 CD2 LEU A 23 -0.859 4.211 4.576 1.00 0.00 C ATOM 0 H LEU A 23 -1.255 7.879 1.503 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.036 7.334 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.558 6.024 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.637 5.967 1.727 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.024 3.790 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.244 2.908 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.277 4.007 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.868 4.573 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.583 3.172 4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.033 4.860 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.741 4.459 5.167 1.00 0.00 H new ATOM 304 N ILE A 24 1.591 6.640 2.466 1.00 0.00 N ATOM 305 CA ILE A 24 2.999 6.262 2.535 1.00 0.00 C ATOM 306 C ILE A 24 3.805 7.228 3.406 1.00 0.00 C ATOM 307 O ILE A 24 4.603 6.792 4.247 1.00 0.00 O ATOM 308 CB ILE A 24 3.621 6.144 1.112 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.858 4.672 0.772 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.921 6.935 0.975 1.00 0.00 C ATOM 311 CD1 ILE A 24 4.879 4.001 1.668 1.00 0.00 C ATOM 0 H ILE A 24 1.273 6.907 1.534 1.00 0.00 H new ATOM 0 HA ILE A 24 3.046 5.281 3.007 1.00 0.00 H new ATOM 0 HB ILE A 24 2.911 6.576 0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.913 4.134 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.189 4.595 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.313 6.819 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.727 7.990 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.652 6.561 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.996 2.959 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.836 4.515 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.540 4.046 2.703 1.00 0.00 H new ATOM 323 N VAL A 25 3.577 8.522 3.219 1.00 0.00 N ATOM 324 CA VAL A 25 4.296 9.539 3.971 1.00 0.00 C ATOM 325 C VAL A 25 3.744 9.679 5.393 1.00 0.00 C ATOM 326 O VAL A 25 4.509 9.725 6.357 1.00 0.00 O ATOM 327 CB VAL A 25 4.273 10.906 3.235 1.00 0.00 C ATOM 328 CG1 VAL A 25 2.885 11.235 2.721 1.00 0.00 C ATOM 329 CG2 VAL A 25 4.776 12.026 4.129 1.00 0.00 C ATOM 0 H VAL A 25 2.899 8.891 2.552 1.00 0.00 H new ATOM 0 HA VAL A 25 5.334 9.213 4.046 1.00 0.00 H new ATOM 0 HB VAL A 25 4.945 10.819 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.905 12.198 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.563 10.462 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.189 11.282 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.747 12.969 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.142 12.099 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.801 11.815 4.434 1.00 0.00 H new ATOM 339 N LEU A 26 2.421 9.699 5.525 1.00 0.00 N ATOM 340 CA LEU A 26 1.783 9.843 6.830 1.00 0.00 C ATOM 341 C LEU A 26 2.151 8.702 7.764 1.00 0.00 C ATOM 342 O LEU A 26 2.507 8.932 8.920 1.00 0.00 O ATOM 343 CB LEU A 26 0.268 9.917 6.686 1.00 0.00 C ATOM 344 CG LEU A 26 -0.259 11.229 6.120 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.705 11.070 5.695 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.125 12.346 7.141 1.00 0.00 C ATOM 0 H LEU A 26 1.770 9.617 4.744 1.00 0.00 H new ATOM 0 HA LEU A 26 2.149 10.773 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.061 9.102 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.184 9.753 7.664 1.00 0.00 H new ATOM 0 HG LEU A 26 0.336 11.494 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.072 12.014 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.777 10.297 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.308 10.785 6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.507 13.274 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.696 12.093 8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.925 12.473 7.406 1.00 0.00 H new ATOM 358 N HIS A 27 2.077 7.470 7.267 1.00 0.00 N ATOM 359 CA HIS A 27 2.409 6.321 8.096 1.00 0.00 C ATOM 360 C HIS A 27 3.870 6.370 8.524 1.00 0.00 C ATOM 361 O HIS A 27 4.201 5.993 9.642 1.00 0.00 O ATOM 362 CB HIS A 27 2.115 5.002 7.382 1.00 0.00 C ATOM 363 CG HIS A 27 2.255 3.814 8.285 1.00 0.00 C ATOM 364 ND1 HIS A 27 1.540 3.671 9.454 1.00 0.00 N ATOM 365 CD2 HIS A 27 3.052 2.727 8.201 1.00 0.00 C ATOM 366 CE1 HIS A 27 1.893 2.549 10.050 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.809 1.956 9.307 1.00 0.00 N ATOM 0 H HIS A 27 1.795 7.246 6.312 1.00 0.00 H new ATOM 0 HA HIS A 27 1.777 6.369 8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.103 5.029 6.978 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.793 4.892 6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.752 2.506 7.408 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.500 2.179 10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.262 1.068 9.522 1.00 0.00 H new ATOM 376 N LEU A 28 4.746 6.838 7.636 1.00 0.00 N ATOM 377 CA LEU A 28 6.162 6.933 7.965 1.00 0.00 C ATOM 378 C LEU A 28 6.355 7.935 9.100 1.00 0.00 C ATOM 379 O LEU A 28 7.131 7.691 10.026 1.00 0.00 O ATOM 380 CB LEU A 28 6.988 7.338 6.736 1.00 0.00 C ATOM 381 CG LEU A 28 8.467 6.920 6.759 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.298 7.895 7.577 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.621 5.511 7.312 1.00 0.00 C ATOM 0 H LEU A 28 4.502 7.153 6.697 1.00 0.00 H new ATOM 0 HA LEU A 28 6.514 5.954 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.522 6.907 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.937 8.421 6.628 1.00 0.00 H new ATOM 0 HG LEU A 28 8.831 6.935 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.340 7.575 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.224 8.891 7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.927 7.919 8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.676 5.236 7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.230 5.474 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.068 4.812 6.685 1.00 0.00 H new ATOM 395 N ARG A 29 5.621 9.046 9.026 1.00 0.00 N ATOM 396 CA ARG A 29 5.681 10.086 10.048 1.00 0.00 C ATOM 397 C ARG A 29 5.299 9.511 11.410 1.00 0.00 C ATOM 398 O ARG A 29 5.927 9.809 12.423 1.00 0.00 O ATOM 399 CB ARG A 29 4.737 11.239 9.692 1.00 0.00 C ATOM 400 CG ARG A 29 5.165 12.036 8.471 1.00 0.00 C ATOM 401 CD ARG A 29 4.086 13.021 8.044 1.00 0.00 C ATOM 402 NE ARG A 29 4.541 13.901 6.967 1.00 0.00 N ATOM 403 CZ ARG A 29 3.810 14.878 6.437 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.604 15.157 6.921 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.297 15.592 5.433 1.00 0.00 N ATOM 0 H ARG A 29 4.975 9.247 8.263 1.00 0.00 H new ATOM 0 HA ARG A 29 6.702 10.465 10.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.739 10.837 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.665 11.913 10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.086 12.576 8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.384 11.355 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.204 12.472 7.715 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.785 13.623 8.901 1.00 0.00 H new ATOM 0 HE ARG A 29 5.481 13.756 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.232 14.620 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.050 15.908 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.229 15.392 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.740 16.342 5.023 1.00 0.00 H new ATOM 419 N LYS A 30 4.270 8.671 11.418 1.00 0.00 N ATOM 420 CA LYS A 30 3.800 8.044 12.646 1.00 0.00 C ATOM 421 C LYS A 30 4.808 7.008 13.147 1.00 0.00 C ATOM 422 O LYS A 30 4.980 6.831 14.349 1.00 0.00 O ATOM 423 CB LYS A 30 2.439 7.386 12.418 1.00 0.00 C ATOM 424 CG LYS A 30 1.720 7.011 13.704 1.00 0.00 C ATOM 425 CD LYS A 30 0.307 6.519 13.429 1.00 0.00 C ATOM 426 CE LYS A 30 -0.720 7.272 14.260 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.684 8.737 14.007 1.00 0.00 N ATOM 0 H LYS A 30 3.744 8.408 10.584 1.00 0.00 H new ATOM 0 HA LYS A 30 3.696 8.818 13.406 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.808 8.065 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.575 6.489 11.813 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.282 6.235 14.223 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.683 7.875 14.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.079 6.640 12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.243 5.453 13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.716 6.891 14.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.537 7.083 15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.629 9.140 14.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.004 9.184 14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.394 8.912 13.024 1.00 0.00 H new ATOM 441 N VAL A 31 5.481 6.338 12.221 1.00 0.00 N ATOM 442 CA VAL A 31 6.465 5.323 12.574 1.00 0.00 C ATOM 443 C VAL A 31 7.653 5.946 13.313 1.00 0.00 C ATOM 444 O VAL A 31 8.128 5.401 14.303 1.00 0.00 O ATOM 445 CB VAL A 31 6.963 4.556 11.322 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.188 3.715 11.641 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.857 3.672 10.763 1.00 0.00 C ATOM 0 H VAL A 31 5.363 6.479 11.218 1.00 0.00 H new ATOM 0 HA VAL A 31 5.972 4.612 13.237 1.00 0.00 H new ATOM 0 HB VAL A 31 7.242 5.295 10.571 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.513 3.190 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.991 4.362 11.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.940 2.990 12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.224 3.141 9.885 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.550 2.951 11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.004 4.290 10.483 1.00 0.00 H new ATOM 457 N GLU A 32 8.117 7.097 12.846 1.00 0.00 N ATOM 458 CA GLU A 32 9.246 7.765 13.485 1.00 0.00 C ATOM 459 C GLU A 32 8.805 8.505 14.748 1.00 0.00 C ATOM 460 O GLU A 32 9.575 8.651 15.695 1.00 0.00 O ATOM 461 CB GLU A 32 9.929 8.737 12.514 1.00 0.00 C ATOM 462 CG GLU A 32 8.975 9.675 11.797 1.00 0.00 C ATOM 463 CD GLU A 32 9.683 10.856 11.172 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.368 10.673 10.147 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.558 11.979 11.706 1.00 0.00 O ATOM 0 H GLU A 32 7.735 7.585 12.036 1.00 0.00 H new ATOM 0 HA GLU A 32 9.965 6.997 13.770 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.658 9.331 13.065 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.482 8.162 11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.442 9.123 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.227 10.036 12.503 1.00 0.00 H new ATOM 472 N GLU A 33 7.557 8.948 14.763 1.00 0.00 N ATOM 473 CA GLU A 33 7.008 9.676 15.900 1.00 0.00 C ATOM 474 C GLU A 33 6.653 8.734 17.053 1.00 0.00 C ATOM 475 O GLU A 33 6.919 9.034 18.215 1.00 0.00 O ATOM 476 CB GLU A 33 5.766 10.455 15.461 1.00 0.00 C ATOM 477 CG GLU A 33 5.223 11.412 16.510 1.00 0.00 C ATOM 478 CD GLU A 33 4.007 12.169 16.023 1.00 0.00 C ATOM 479 OE1 GLU A 33 4.177 13.234 15.389 1.00 0.00 O ATOM 480 OE2 GLU A 33 2.872 11.705 16.266 1.00 0.00 O ATOM 0 H GLU A 33 6.900 8.815 13.995 1.00 0.00 H new ATOM 0 HA GLU A 33 7.770 10.368 16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.006 11.020 14.560 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.983 9.746 15.193 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.964 10.853 17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.002 12.121 16.789 1.00 0.00 H new ATOM 487 N GLU A 34 6.054 7.598 16.723 1.00 0.00 N ATOM 488 CA GLU A 34 5.637 6.623 17.729 1.00 0.00 C ATOM 489 C GLU A 34 6.684 5.538 17.953 1.00 0.00 C ATOM 490 O GLU A 34 7.261 5.433 19.034 1.00 0.00 O ATOM 491 CB GLU A 34 4.319 5.979 17.303 1.00 0.00 C ATOM 492 CG GLU A 34 3.143 6.937 17.319 1.00 0.00 C ATOM 493 CD GLU A 34 2.693 7.254 18.725 1.00 0.00 C ATOM 494 OE1 GLU A 34 2.273 6.320 19.437 1.00 0.00 O ATOM 495 OE2 GLU A 34 2.755 8.434 19.127 1.00 0.00 O ATOM 0 H GLU A 34 5.844 7.326 15.763 1.00 0.00 H new ATOM 0 HA GLU A 34 5.512 7.158 18.670 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.431 5.571 16.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.103 5.140 17.965 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.420 7.860 16.810 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.313 6.502 16.762 1.00 0.00 H new ATOM 502 N GLU A 35 6.924 4.728 16.931 1.00 0.00 N ATOM 503 CA GLU A 35 7.891 3.638 17.025 1.00 0.00 C ATOM 504 C GLU A 35 9.315 4.169 17.157 1.00 0.00 C ATOM 505 O GLU A 35 10.209 3.450 17.601 1.00 0.00 O ATOM 506 CB GLU A 35 7.792 2.727 15.799 1.00 0.00 C ATOM 507 CG GLU A 35 6.480 1.969 15.700 1.00 0.00 C ATOM 508 CD GLU A 35 6.356 0.892 16.755 1.00 0.00 C ATOM 509 OE1 GLU A 35 5.859 1.192 17.860 1.00 0.00 O ATOM 510 OE2 GLU A 35 6.757 -0.259 16.484 1.00 0.00 O ATOM 0 H GLU A 35 6.462 4.804 16.025 1.00 0.00 H new ATOM 0 HA GLU A 35 7.654 3.064 17.921 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.921 3.329 14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.613 2.011 15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.651 2.669 15.800 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.398 1.517 14.712 1.00 0.00 H new ATOM 517 N ASP A 36 9.507 5.427 16.757 1.00 0.00 N ATOM 518 CA ASP A 36 10.813 6.084 16.816 1.00 0.00 C ATOM 519 C ASP A 36 11.768 5.448 15.808 1.00 0.00 C ATOM 520 O ASP A 36 12.989 5.583 15.897 1.00 0.00 O ATOM 521 CB ASP A 36 11.390 6.018 18.240 1.00 0.00 C ATOM 522 CG ASP A 36 12.620 6.884 18.414 1.00 0.00 C ATOM 523 OD1 ASP A 36 12.514 8.114 18.226 1.00 0.00 O ATOM 524 OD2 ASP A 36 13.696 6.341 18.737 1.00 0.00 O ATOM 0 H ASP A 36 8.764 6.017 16.384 1.00 0.00 H new ATOM 0 HA ASP A 36 10.688 7.135 16.555 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.626 6.332 18.952 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.642 4.985 18.478 1.00 0.00 H new ATOM 529 N GLU A 37 11.198 4.770 14.822 1.00 0.00 N ATOM 530 CA GLU A 37 11.980 4.105 13.811 1.00 0.00 C ATOM 531 C GLU A 37 11.705 4.709 12.444 1.00 0.00 C ATOM 532 O GLU A 37 11.520 5.917 12.311 1.00 0.00 O ATOM 533 CB GLU A 37 11.651 2.613 13.793 1.00 0.00 C ATOM 534 CG GLU A 37 11.913 1.907 15.108 1.00 0.00 C ATOM 535 CD GLU A 37 12.038 0.413 14.934 1.00 0.00 C ATOM 536 OE1 GLU A 37 10.999 -0.283 14.936 1.00 0.00 O ATOM 537 OE2 GLU A 37 13.180 -0.069 14.777 1.00 0.00 O ATOM 0 H GLU A 37 10.189 4.671 14.708 1.00 0.00 H new ATOM 0 HA GLU A 37 13.036 4.237 14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.601 2.486 13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.238 2.132 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.828 2.298 15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.102 2.124 15.804 1.00 0.00 H new ATOM 544 N SER A 38 11.651 3.843 11.447 1.00 0.00 N ATOM 545 CA SER A 38 11.415 4.227 10.067 1.00 0.00 C ATOM 546 C SER A 38 11.403 2.988 9.174 1.00 0.00 C ATOM 547 O SER A 38 10.764 2.965 8.120 1.00 0.00 O ATOM 548 CB SER A 38 12.496 5.205 9.599 1.00 0.00 C ATOM 549 OG SER A 38 13.749 4.925 10.211 1.00 0.00 O ATOM 0 H SER A 38 11.772 2.838 11.576 1.00 0.00 H new ATOM 0 HA SER A 38 10.445 4.719 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.597 5.146 8.515 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.193 6.225 9.836 1.00 0.00 H new ATOM 0 HG SER A 38 14.419 5.565 9.892 1.00 0.00 H new ATOM 555 N ALA A 39 12.114 1.956 9.620 1.00 0.00 N ATOM 556 CA ALA A 39 12.215 0.710 8.877 1.00 0.00 C ATOM 557 C ALA A 39 11.074 -0.253 9.202 1.00 0.00 C ATOM 558 O ALA A 39 10.389 -0.103 10.216 1.00 0.00 O ATOM 559 CB ALA A 39 13.554 0.043 9.157 1.00 0.00 C ATOM 0 H ALA A 39 12.631 1.962 10.499 1.00 0.00 H new ATOM 0 HA ALA A 39 12.141 0.957 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.620 -0.889 8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.362 0.708 8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.640 -0.168 10.223 1.00 0.00 H new ATOM 565 N LEU A 40 10.901 -1.239 8.314 1.00 0.00 N ATOM 566 CA LEU A 40 9.877 -2.282 8.434 1.00 0.00 C ATOM 567 C LEU A 40 8.478 -1.712 8.235 1.00 0.00 C ATOM 568 O LEU A 40 7.835 -1.251 9.180 1.00 0.00 O ATOM 569 CB LEU A 40 9.986 -3.018 9.775 1.00 0.00 C ATOM 570 CG LEU A 40 11.247 -3.872 9.939 1.00 0.00 C ATOM 571 CD1 LEU A 40 11.255 -4.563 11.294 1.00 0.00 C ATOM 572 CD2 LEU A 40 11.346 -4.898 8.820 1.00 0.00 C ATOM 0 H LEU A 40 11.478 -1.336 7.479 1.00 0.00 H new ATOM 0 HA LEU A 40 10.055 -3.008 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.954 -2.284 10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.112 -3.659 9.894 1.00 0.00 H new ATOM 0 HG LEU A 40 12.114 -3.214 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.159 -5.164 11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.232 -3.813 12.085 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.380 -5.207 11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.248 -5.495 8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.472 -5.549 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.389 -4.385 7.859 1.00 0.00 H new ATOM 584 N LYS A 41 8.012 -1.754 6.987 1.00 0.00 N ATOM 585 CA LYS A 41 6.693 -1.234 6.645 1.00 0.00 C ATOM 586 C LYS A 41 6.246 -1.705 5.257 1.00 0.00 C ATOM 587 O LYS A 41 5.381 -1.087 4.642 1.00 0.00 O ATOM 588 CB LYS A 41 6.697 0.302 6.688 1.00 0.00 C ATOM 589 CG LYS A 41 7.701 0.937 5.736 1.00 0.00 C ATOM 590 CD LYS A 41 7.599 2.455 5.734 1.00 0.00 C ATOM 591 CE LYS A 41 6.310 2.934 5.084 1.00 0.00 C ATOM 592 NZ LYS A 41 6.308 4.412 4.886 1.00 0.00 N ATOM 0 H LYS A 41 8.529 -2.143 6.199 1.00 0.00 H new ATOM 0 HA LYS A 41 5.988 -1.619 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.699 0.666 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.917 0.628 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.710 0.641 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.533 0.560 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.648 2.824 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.452 2.876 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.181 2.438 4.122 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.461 2.649 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.636 4.850 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.262 4.787 5.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.025 4.631 3.909 1.00 0.00 H new ATOM 606 N ARG A 42 6.833 -2.792 4.765 1.00 0.00 N ATOM 607 CA ARG A 42 6.480 -3.312 3.444 1.00 0.00 C ATOM 608 C ARG A 42 5.113 -4.004 3.445 1.00 0.00 C ATOM 609 O ARG A 42 4.184 -3.569 2.764 1.00 0.00 O ATOM 610 CB ARG A 42 7.546 -4.303 2.970 1.00 0.00 C ATOM 611 CG ARG A 42 7.354 -4.788 1.537 1.00 0.00 C ATOM 612 CD ARG A 42 8.042 -6.126 1.301 1.00 0.00 C ATOM 613 NE ARG A 42 9.350 -6.194 1.954 1.00 0.00 N ATOM 614 CZ ARG A 42 10.508 -6.310 1.305 1.00 0.00 C ATOM 615 NH1 ARG A 42 10.533 -6.451 -0.014 1.00 0.00 N ATOM 616 NH2 ARG A 42 11.642 -6.316 1.989 1.00 0.00 N ATOM 0 H ARG A 42 7.550 -3.328 5.255 1.00 0.00 H new ATOM 0 HA ARG A 42 6.428 -2.461 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.526 -3.834 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.547 -5.165 3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.289 -4.883 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.752 -4.046 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.408 -6.930 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.163 -6.287 0.230 1.00 0.00 H new ATOM 0 HE ARG A 42 9.377 -6.150 2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.660 -6.471 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.425 -6.539 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.625 -6.232 3.005 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.532 -6.404 1.499 1.00 0.00 H new ATOM 630 N SER A 43 4.997 -5.073 4.217 1.00 0.00 N ATOM 631 CA SER A 43 3.764 -5.848 4.282 1.00 0.00 C ATOM 632 C SER A 43 2.719 -5.191 5.183 1.00 0.00 C ATOM 633 O SER A 43 1.535 -5.121 4.832 1.00 0.00 O ATOM 634 CB SER A 43 4.079 -7.255 4.791 1.00 0.00 C ATOM 635 OG SER A 43 5.425 -7.615 4.496 1.00 0.00 O ATOM 0 H SER A 43 5.746 -5.427 4.812 1.00 0.00 H new ATOM 0 HA SER A 43 3.343 -5.895 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.914 -7.302 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.398 -7.972 4.333 1.00 0.00 H new ATOM 0 HG SER A 43 5.603 -8.518 4.833 1.00 0.00 H new ATOM 641 N GLU A 44 3.169 -4.700 6.332 1.00 0.00 N ATOM 642 CA GLU A 44 2.290 -4.065 7.311 1.00 0.00 C ATOM 643 C GLU A 44 1.520 -2.894 6.705 1.00 0.00 C ATOM 644 O GLU A 44 0.351 -2.690 7.024 1.00 0.00 O ATOM 645 CB GLU A 44 3.108 -3.583 8.515 1.00 0.00 C ATOM 646 CG GLU A 44 2.257 -3.157 9.700 1.00 0.00 C ATOM 647 CD GLU A 44 3.086 -2.750 10.904 1.00 0.00 C ATOM 648 OE1 GLU A 44 3.457 -3.636 11.704 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.359 -1.543 11.065 1.00 0.00 O ATOM 0 H GLU A 44 4.149 -4.730 6.612 1.00 0.00 H new ATOM 0 HA GLU A 44 1.563 -4.810 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.780 -4.381 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.732 -2.744 8.207 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.621 -2.323 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.596 -3.977 9.980 1.00 0.00 H new ATOM 656 N LEU A 45 2.175 -2.152 5.812 1.00 0.00 N ATOM 657 CA LEU A 45 1.570 -0.986 5.166 1.00 0.00 C ATOM 658 C LEU A 45 0.220 -1.317 4.537 1.00 0.00 C ATOM 659 O LEU A 45 -0.795 -0.715 4.882 1.00 0.00 O ATOM 660 CB LEU A 45 2.503 -0.430 4.093 1.00 0.00 C ATOM 661 CG LEU A 45 2.102 0.932 3.530 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.453 2.039 4.512 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.776 1.171 2.191 1.00 0.00 C ATOM 0 H LEU A 45 3.133 -2.340 5.517 1.00 0.00 H new ATOM 0 HA LEU A 45 1.409 -0.238 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.507 -0.352 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.554 -1.145 3.272 1.00 0.00 H new ATOM 0 HG LEU A 45 1.023 0.939 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.160 3.002 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.923 1.874 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.527 2.035 4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.480 2.146 1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.858 1.145 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.475 0.394 1.488 1.00 0.00 H new ATOM 675 N VAL A 46 0.212 -2.281 3.626 1.00 0.00 N ATOM 676 CA VAL A 46 -1.018 -2.680 2.951 1.00 0.00 C ATOM 677 C VAL A 46 -1.961 -3.352 3.933 1.00 0.00 C ATOM 678 O VAL A 46 -3.173 -3.152 3.889 1.00 0.00 O ATOM 679 CB VAL A 46 -0.748 -3.662 1.789 1.00 0.00 C ATOM 680 CG1 VAL A 46 -1.868 -3.604 0.763 1.00 0.00 C ATOM 681 CG2 VAL A 46 0.592 -3.375 1.135 1.00 0.00 C ATOM 0 H VAL A 46 1.041 -2.801 3.337 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.466 -1.772 2.548 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.714 -4.670 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.657 -4.303 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.811 -3.873 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.940 -2.594 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.758 -4.080 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.594 -2.359 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.387 -3.480 1.873 1.00 0.00 H new ATOM 691 N ASN A 47 -1.377 -4.127 4.834 1.00 0.00 N ATOM 692 CA ASN A 47 -2.122 -4.876 5.838 1.00 0.00 C ATOM 693 C ASN A 47 -3.083 -3.988 6.627 1.00 0.00 C ATOM 694 O ASN A 47 -4.292 -4.229 6.626 1.00 0.00 O ATOM 695 CB ASN A 47 -1.144 -5.576 6.785 1.00 0.00 C ATOM 696 CG ASN A 47 -1.735 -6.809 7.435 1.00 0.00 C ATOM 697 OD1 ASN A 47 -2.178 -7.734 6.749 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.742 -6.837 8.756 1.00 0.00 N ATOM 0 H ASN A 47 -0.367 -4.256 4.891 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.728 -5.618 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.248 -5.857 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.833 -4.876 7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.124 -7.645 9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.365 -6.050 9.285 1.00 0.00 H new ATOM 705 N TRP A 48 -2.559 -2.958 7.282 1.00 0.00 N ATOM 706 CA TRP A 48 -3.409 -2.071 8.066 1.00 0.00 C ATOM 707 C TRP A 48 -4.191 -1.118 7.170 1.00 0.00 C ATOM 708 O TRP A 48 -5.289 -0.699 7.528 1.00 0.00 O ATOM 709 CB TRP A 48 -2.604 -1.290 9.122 1.00 0.00 C ATOM 710 CG TRP A 48 -1.759 -0.174 8.578 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.437 -0.239 8.257 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.166 1.181 8.318 1.00 0.00 C ATOM 713 NE1 TRP A 48 0.000 0.974 7.796 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.042 1.862 7.825 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.372 1.884 8.446 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.083 3.203 7.464 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.409 3.219 8.078 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.268 3.866 7.591 1.00 0.00 C ATOM 0 H TRP A 48 -1.567 -2.719 7.287 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.123 -2.702 8.596 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.298 -0.877 9.854 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.958 -1.988 9.654 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.179 -1.121 8.352 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.948 1.182 7.482 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.257 1.394 8.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.202 3.706 7.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.334 3.769 8.168 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.327 4.907 7.311 1.00 0.00 H new ATOM 729 N TYR A 49 -3.633 -0.778 6.007 1.00 0.00 N ATOM 730 CA TYR A 49 -4.302 0.135 5.083 1.00 0.00 C ATOM 731 C TYR A 49 -5.655 -0.422 4.665 1.00 0.00 C ATOM 732 O TYR A 49 -6.680 0.241 4.803 1.00 0.00 O ATOM 733 CB TYR A 49 -3.453 0.395 3.832 1.00 0.00 C ATOM 734 CG TYR A 49 -3.999 1.513 2.965 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.245 2.772 3.501 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.288 1.310 1.616 1.00 0.00 C ATOM 737 CE1 TYR A 49 -4.761 3.791 2.726 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.799 2.327 0.837 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.036 3.566 1.397 1.00 0.00 C ATOM 740 OH TYR A 49 -5.557 4.581 0.625 1.00 0.00 O ATOM 0 H TYR A 49 -2.727 -1.119 5.686 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.442 1.079 5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.436 0.642 4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.396 -0.520 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.028 2.956 4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.109 0.341 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.948 4.761 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.013 2.154 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.243 5.445 0.965 1.00 0.00 H new ATOM 750 N LEU A 50 -5.652 -1.656 4.185 1.00 0.00 N ATOM 751 CA LEU A 50 -6.874 -2.304 3.736 1.00 0.00 C ATOM 752 C LEU A 50 -7.859 -2.463 4.880 1.00 0.00 C ATOM 753 O LEU A 50 -9.060 -2.290 4.702 1.00 0.00 O ATOM 754 CB LEU A 50 -6.556 -3.671 3.144 1.00 0.00 C ATOM 755 CG LEU A 50 -5.443 -3.677 2.103 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.929 -5.091 1.899 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.933 -3.080 0.790 1.00 0.00 C ATOM 0 H LEU A 50 -4.814 -2.230 4.096 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.328 -1.673 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.279 -4.346 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.461 -4.073 2.689 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.620 -3.060 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.134 -5.085 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.540 -5.476 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.744 -5.728 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.124 -3.093 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.771 -3.667 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.255 -2.052 0.956 1.00 0.00 H new ATOM 769 N LYS A 51 -7.345 -2.791 6.055 1.00 0.00 N ATOM 770 CA LYS A 51 -8.191 -2.973 7.228 1.00 0.00 C ATOM 771 C LYS A 51 -8.759 -1.649 7.725 1.00 0.00 C ATOM 772 O LYS A 51 -9.827 -1.612 8.332 1.00 0.00 O ATOM 773 CB LYS A 51 -7.404 -3.656 8.345 1.00 0.00 C ATOM 774 CG LYS A 51 -7.721 -5.137 8.502 1.00 0.00 C ATOM 775 CD LYS A 51 -7.570 -5.897 7.190 1.00 0.00 C ATOM 776 CE LYS A 51 -8.891 -6.010 6.437 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.941 -6.706 7.228 1.00 0.00 N ATOM 0 H LYS A 51 -6.350 -2.937 6.223 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.029 -3.606 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.338 -3.541 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.612 -3.148 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.059 -5.572 9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.740 -5.252 8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.837 -5.392 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.182 -6.895 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.241 -5.012 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.728 -6.548 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.181 -7.608 6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.587 -6.890 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.790 -6.108 7.280 1.00 0.00 H new ATOM 791 N GLU A 52 -8.048 -0.568 7.461 1.00 0.00 N ATOM 792 CA GLU A 52 -8.477 0.754 7.901 1.00 0.00 C ATOM 793 C GLU A 52 -9.481 1.374 6.936 1.00 0.00 C ATOM 794 O GLU A 52 -10.423 2.041 7.359 1.00 0.00 O ATOM 795 CB GLU A 52 -7.256 1.663 8.087 1.00 0.00 C ATOM 796 CG GLU A 52 -6.994 2.650 6.952 1.00 0.00 C ATOM 797 CD GLU A 52 -7.105 4.098 7.392 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.503 4.347 8.551 1.00 0.00 O ATOM 799 OE2 GLU A 52 -6.802 4.998 6.579 1.00 0.00 O ATOM 0 H GLU A 52 -7.169 -0.576 6.944 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.985 0.645 8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.381 2.225 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.373 1.036 8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.998 2.474 6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.703 2.465 6.145 1.00 0.00 H new ATOM 806 N ILE A 53 -9.289 1.147 5.647 1.00 0.00 N ATOM 807 CA ILE A 53 -10.180 1.707 4.645 1.00 0.00 C ATOM 808 C ILE A 53 -11.321 0.756 4.336 1.00 0.00 C ATOM 809 O ILE A 53 -12.235 1.100 3.597 1.00 0.00 O ATOM 810 CB ILE A 53 -9.436 2.019 3.333 1.00 0.00 C ATOM 811 CG1 ILE A 53 -8.841 0.735 2.751 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.355 3.065 3.570 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.094 0.938 1.456 1.00 0.00 C ATOM 0 H ILE A 53 -8.528 0.582 5.271 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.574 2.633 5.064 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.144 2.427 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.165 0.295 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.644 0.016 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.839 3.274 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.811 3.981 3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.640 2.690 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.703 -0.018 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.771 1.348 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.268 1.631 1.617 1.00 0.00 H new ATOM 825 N GLU A 54 -11.281 -0.436 4.917 1.00 0.00 N ATOM 826 CA GLU A 54 -12.326 -1.431 4.661 1.00 0.00 C ATOM 827 C GLU A 54 -13.697 -0.920 5.095 1.00 0.00 C ATOM 828 O GLU A 54 -14.729 -1.366 4.587 1.00 0.00 O ATOM 829 CB GLU A 54 -12.006 -2.769 5.334 1.00 0.00 C ATOM 830 CG GLU A 54 -12.405 -2.862 6.795 1.00 0.00 C ATOM 831 CD GLU A 54 -12.506 -4.296 7.271 1.00 0.00 C ATOM 832 OE1 GLU A 54 -12.123 -5.210 6.508 1.00 0.00 O ATOM 833 OE2 GLU A 54 -12.968 -4.523 8.408 1.00 0.00 O ATOM 0 H GLU A 54 -10.550 -0.739 5.560 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.354 -1.599 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.508 -3.565 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.935 -2.953 5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.674 -2.330 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.364 -2.365 6.940 1.00 0.00 H new ATOM 840 N SER A 55 -13.698 0.031 6.016 1.00 0.00 N ATOM 841 CA SER A 55 -14.930 0.622 6.500 1.00 0.00 C ATOM 842 C SER A 55 -15.578 1.470 5.408 1.00 0.00 C ATOM 843 O SER A 55 -16.801 1.521 5.293 1.00 0.00 O ATOM 844 CB SER A 55 -14.633 1.472 7.733 1.00 0.00 C ATOM 845 OG SER A 55 -13.229 1.589 7.927 1.00 0.00 O ATOM 0 H SER A 55 -12.853 0.410 6.444 1.00 0.00 H new ATOM 0 HA SER A 55 -15.627 -0.170 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.074 2.462 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.092 1.021 8.613 1.00 0.00 H new ATOM 0 HG SER A 55 -12.852 2.176 7.239 1.00 0.00 H new ATOM 851 N GLU A 56 -14.744 2.083 4.569 1.00 0.00 N ATOM 852 CA GLU A 56 -15.229 2.937 3.493 1.00 0.00 C ATOM 853 C GLU A 56 -15.496 2.109 2.245 1.00 0.00 C ATOM 854 O GLU A 56 -16.165 2.555 1.316 1.00 0.00 O ATOM 855 CB GLU A 56 -14.214 4.043 3.175 1.00 0.00 C ATOM 856 CG GLU A 56 -13.082 3.591 2.264 1.00 0.00 C ATOM 857 CD GLU A 56 -12.080 4.683 1.981 1.00 0.00 C ATOM 858 OE1 GLU A 56 -11.505 5.230 2.943 1.00 0.00 O ATOM 859 OE2 GLU A 56 -11.849 4.990 0.792 1.00 0.00 O ATOM 0 H GLU A 56 -13.728 2.002 4.616 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.159 3.402 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.735 4.878 2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.791 4.415 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.570 2.746 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.501 3.237 1.322 1.00 0.00 H new ATOM 866 N ILE A 57 -14.956 0.902 2.225 1.00 0.00 N ATOM 867 CA ILE A 57 -15.138 0.017 1.095 1.00 0.00 C ATOM 868 C ILE A 57 -16.555 -0.537 1.089 1.00 0.00 C ATOM 869 O ILE A 57 -16.839 -1.556 1.715 1.00 0.00 O ATOM 870 CB ILE A 57 -14.124 -1.143 1.120 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.690 -0.606 1.095 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.359 -2.079 -0.049 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.420 0.366 -0.032 1.00 0.00 C ATOM 0 H ILE A 57 -14.389 0.516 2.980 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.969 0.595 0.187 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.266 -1.702 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.480 -0.114 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -11.999 -1.445 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.634 -2.892 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.367 -2.489 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.245 -1.530 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.384 0.702 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.597 -0.127 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.085 1.225 0.061 1.00 0.00 H new ATOM 885 N ASP A 58 -17.443 0.166 0.403 1.00 0.00 N ATOM 886 CA ASP A 58 -18.842 -0.239 0.305 1.00 0.00 C ATOM 887 C ASP A 58 -19.029 -1.254 -0.809 1.00 0.00 C ATOM 888 O ASP A 58 -20.053 -1.934 -0.884 1.00 0.00 O ATOM 889 CB ASP A 58 -19.744 0.979 0.056 1.00 0.00 C ATOM 890 CG ASP A 58 -19.363 1.761 -1.193 1.00 0.00 C ATOM 891 OD1 ASP A 58 -19.535 1.238 -2.315 1.00 0.00 O ATOM 892 OD2 ASP A 58 -18.889 2.908 -1.057 1.00 0.00 O ATOM 0 H ASP A 58 -17.220 1.026 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.125 -0.699 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.778 0.645 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.696 1.641 0.920 1.00 0.00 H new ATOM 897 N SER A 59 -18.027 -1.360 -1.667 1.00 0.00 N ATOM 898 CA SER A 59 -18.069 -2.273 -2.783 1.00 0.00 C ATOM 899 C SER A 59 -16.720 -2.950 -2.964 1.00 0.00 C ATOM 900 O SER A 59 -15.680 -2.326 -2.758 1.00 0.00 O ATOM 901 CB SER A 59 -18.447 -1.509 -4.048 1.00 0.00 C ATOM 902 OG SER A 59 -19.725 -0.906 -3.920 1.00 0.00 O ATOM 0 H SER A 59 -17.167 -0.815 -1.604 1.00 0.00 H new ATOM 0 HA SER A 59 -18.816 -3.042 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.699 -0.743 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.446 -2.188 -4.900 1.00 0.00 H new ATOM 0 HG SER A 59 -19.693 -0.215 -3.226 1.00 0.00 H new ATOM 908 N GLU A 60 -16.749 -4.221 -3.348 1.00 0.00 N ATOM 909 CA GLU A 60 -15.537 -5.003 -3.573 1.00 0.00 C ATOM 910 C GLU A 60 -14.589 -4.266 -4.513 1.00 0.00 C ATOM 911 O GLU A 60 -13.397 -4.162 -4.238 1.00 0.00 O ATOM 912 CB GLU A 60 -15.927 -6.383 -4.135 1.00 0.00 C ATOM 913 CG GLU A 60 -14.949 -6.959 -5.144 1.00 0.00 C ATOM 914 CD GLU A 60 -15.459 -8.226 -5.800 1.00 0.00 C ATOM 915 OE1 GLU A 60 -16.426 -8.143 -6.586 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.882 -9.307 -5.557 1.00 0.00 O ATOM 0 H GLU A 60 -17.612 -4.739 -3.512 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.010 -5.143 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.026 -7.083 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.908 -6.305 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.746 -6.214 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.002 -7.169 -4.646 1.00 0.00 H new ATOM 923 N GLU A 61 -15.143 -3.717 -5.586 1.00 0.00 N ATOM 924 CA GLU A 61 -14.374 -2.983 -6.587 1.00 0.00 C ATOM 925 C GLU A 61 -13.545 -1.866 -5.961 1.00 0.00 C ATOM 926 O GLU A 61 -12.410 -1.619 -6.370 1.00 0.00 O ATOM 927 CB GLU A 61 -15.313 -2.414 -7.641 1.00 0.00 C ATOM 928 CG GLU A 61 -16.063 -3.487 -8.409 1.00 0.00 C ATOM 929 CD GLU A 61 -17.438 -3.762 -7.829 1.00 0.00 C ATOM 930 OE1 GLU A 61 -17.525 -4.194 -6.660 1.00 0.00 O ATOM 931 OE2 GLU A 61 -18.440 -3.547 -8.537 1.00 0.00 O ATOM 0 H GLU A 61 -16.141 -3.767 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.679 -3.681 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.031 -1.751 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.739 -1.808 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.166 -3.180 -9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.479 -4.408 -8.405 1.00 0.00 H new ATOM 938 N GLU A 62 -14.121 -1.192 -4.976 1.00 0.00 N ATOM 939 CA GLU A 62 -13.429 -0.118 -4.270 1.00 0.00 C ATOM 940 C GLU A 62 -12.154 -0.644 -3.633 1.00 0.00 C ATOM 941 O GLU A 62 -11.100 -0.008 -3.699 1.00 0.00 O ATOM 942 CB GLU A 62 -14.332 0.484 -3.194 1.00 0.00 C ATOM 943 CG GLU A 62 -15.503 1.260 -3.757 1.00 0.00 C ATOM 944 CD GLU A 62 -15.059 2.323 -4.737 1.00 0.00 C ATOM 945 OE1 GLU A 62 -14.309 3.233 -4.331 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.441 2.243 -5.923 1.00 0.00 O ATOM 0 H GLU A 62 -15.069 -1.369 -4.645 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.174 0.658 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.709 -0.316 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.739 1.144 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.188 0.573 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.055 1.727 -2.941 1.00 0.00 H new ATOM 953 N LEU A 63 -12.262 -1.817 -3.026 1.00 0.00 N ATOM 954 CA LEU A 63 -11.126 -2.449 -2.382 1.00 0.00 C ATOM 955 C LEU A 63 -10.137 -2.917 -3.429 1.00 0.00 C ATOM 956 O LEU A 63 -8.925 -2.811 -3.236 1.00 0.00 O ATOM 957 CB LEU A 63 -11.584 -3.618 -1.516 1.00 0.00 C ATOM 958 CG LEU A 63 -10.520 -4.187 -0.582 1.00 0.00 C ATOM 959 CD1 LEU A 63 -9.882 -3.082 0.247 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.134 -5.238 0.316 1.00 0.00 C ATOM 0 H LEU A 63 -13.130 -2.350 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.636 -1.721 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.436 -3.295 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.938 -4.417 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.738 -4.649 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.127 -3.511 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.414 -2.354 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.647 -2.588 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.369 -5.641 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.931 -4.789 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.545 -6.043 -0.294 1.00 0.00 H new ATOM 972 N ILE A 64 -10.665 -3.448 -4.529 1.00 0.00 N ATOM 973 CA ILE A 64 -9.828 -3.895 -5.639 1.00 0.00 C ATOM 974 C ILE A 64 -8.909 -2.761 -6.059 1.00 0.00 C ATOM 975 O ILE A 64 -7.692 -2.909 -6.118 1.00 0.00 O ATOM 976 CB ILE A 64 -10.666 -4.305 -6.871 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.847 -5.192 -6.476 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.798 -5.004 -7.906 1.00 0.00 C ATOM 979 CD1 ILE A 64 -11.486 -6.417 -5.660 1.00 0.00 C ATOM 0 H ILE A 64 -11.666 -3.579 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.266 -4.762 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.067 -3.393 -7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -12.558 -4.592 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -12.357 -5.516 -7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.409 -5.284 -8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.004 -4.331 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -9.358 -5.899 -7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.390 -6.980 -5.430 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.802 -7.046 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.006 -6.107 -4.732 1.00 0.00 H new ATOM 991 N ASN A 65 -9.527 -1.617 -6.322 1.00 0.00 N ATOM 992 CA ASN A 65 -8.815 -0.410 -6.733 1.00 0.00 C ATOM 993 C ASN A 65 -7.781 0.023 -5.692 1.00 0.00 C ATOM 994 O ASN A 65 -6.614 0.232 -6.021 1.00 0.00 O ATOM 995 CB ASN A 65 -9.816 0.722 -6.983 1.00 0.00 C ATOM 996 CG ASN A 65 -9.196 2.104 -6.856 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.560 2.599 -7.785 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.393 2.743 -5.710 1.00 0.00 N ATOM 0 H ASN A 65 -10.538 -1.498 -6.257 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.278 -0.636 -7.654 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.240 0.611 -7.981 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.640 0.633 -6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.011 3.679 -5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.926 2.298 -4.963 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.214 0.151 -4.437 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.325 0.573 -3.353 1.00 0.00 C ATOM 1007 C LYS A 66 -6.126 -0.363 -3.228 1.00 0.00 C ATOM 1008 O LYS A 66 -4.983 0.088 -3.157 1.00 0.00 O ATOM 1009 CB LYS A 66 -8.092 0.625 -2.029 1.00 0.00 C ATOM 1010 CG LYS A 66 -9.057 1.800 -1.915 1.00 0.00 C ATOM 1011 CD LYS A 66 -8.324 3.135 -1.844 1.00 0.00 C ATOM 1012 CE LYS A 66 -9.048 4.125 -0.939 1.00 0.00 C ATOM 1013 NZ LYS A 66 -10.437 4.414 -1.398 1.00 0.00 N ATOM 0 H LYS A 66 -9.174 -0.031 -4.146 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.954 1.570 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.651 -0.303 -1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.376 0.675 -1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.730 1.801 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.674 1.677 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.311 2.976 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.234 3.555 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.080 3.727 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.482 5.056 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.923 4.997 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.404 4.927 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.954 3.520 -1.525 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.395 -1.663 -3.230 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.348 -2.672 -3.117 1.00 0.00 C ATOM 1029 C LYS A 67 -4.434 -2.645 -4.340 1.00 0.00 C ATOM 1030 O LYS A 67 -3.221 -2.820 -4.227 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.979 -4.058 -2.960 1.00 0.00 C ATOM 1032 CG LYS A 67 -4.977 -5.201 -2.873 1.00 0.00 C ATOM 1033 CD LYS A 67 -5.019 -5.882 -1.514 1.00 0.00 C ATOM 1034 CE LYS A 67 -6.436 -6.284 -1.123 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.453 -7.218 0.037 1.00 0.00 N ATOM 0 H LYS A 67 -7.337 -2.046 -3.309 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.745 -2.450 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.596 -4.063 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.644 -4.238 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.190 -5.932 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.973 -4.820 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.383 -6.767 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.611 -5.210 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.011 -5.391 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.927 -6.755 -1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.731 -8.167 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.505 -7.261 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.135 -6.879 0.745 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.027 -2.428 -5.500 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.287 -2.375 -6.752 1.00 0.00 C ATOM 1051 C ARG A 68 -3.290 -1.222 -6.742 1.00 0.00 C ATOM 1052 O ARG A 68 -2.124 -1.395 -7.092 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.268 -2.216 -7.912 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.660 -2.423 -9.285 1.00 0.00 C ATOM 1055 CD ARG A 68 -5.744 -2.419 -10.350 1.00 0.00 C ATOM 1056 NE ARG A 68 -5.203 -2.553 -11.699 1.00 0.00 N ATOM 1057 CZ ARG A 68 -5.851 -2.156 -12.792 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -7.058 -1.606 -12.689 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -5.293 -2.308 -13.987 1.00 0.00 N ATOM 0 H ARG A 68 -6.031 -2.284 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.728 -3.303 -6.873 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.085 -2.926 -7.780 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.703 -1.218 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.935 -1.635 -9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.119 -3.369 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.440 -3.236 -10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.313 -1.492 -10.281 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.280 -2.973 -11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.488 -1.488 -11.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.553 -1.302 -13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.368 -2.729 -14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.790 -2.004 -14.824 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.754 -0.054 -6.318 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.912 1.133 -6.269 1.00 0.00 C ATOM 1075 C ILE A 69 -1.823 1.010 -5.212 1.00 0.00 C ATOM 1076 O ILE A 69 -0.648 1.188 -5.517 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.735 2.411 -5.994 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.764 2.630 -7.100 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -2.821 3.626 -5.878 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -5.498 3.949 -6.984 1.00 0.00 C ATOM 0 H ILE A 69 -4.712 0.097 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.448 1.213 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.260 2.282 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.263 2.585 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.489 1.816 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.421 4.515 -5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.119 3.476 -5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.269 3.756 -6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.214 4.040 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.027 3.988 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.782 4.769 -7.036 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.207 0.691 -3.976 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.238 0.576 -2.887 1.00 0.00 C ATOM 1094 C ILE A 70 -0.135 -0.434 -3.222 1.00 0.00 C ATOM 1095 O ILE A 70 1.045 -0.171 -2.985 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.913 0.211 -1.536 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.886 0.217 -0.404 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.611 -1.137 -1.604 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.256 1.571 -0.176 1.00 0.00 C ATOM 0 H ILE A 70 -3.174 0.509 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.783 1.560 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.670 0.969 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.368 -0.111 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.103 -0.507 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.071 -1.358 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.380 -1.110 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.883 -1.912 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.463 1.505 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.255 1.892 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.030 2.294 0.080 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.515 -1.564 -3.804 1.00 0.00 N ATOM 1112 CA GLU A 71 0.450 -2.592 -4.167 1.00 0.00 C ATOM 1113 C GLU A 71 1.360 -2.099 -5.291 1.00 0.00 C ATOM 1114 O GLU A 71 2.582 -2.273 -5.237 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.272 -3.868 -4.595 1.00 0.00 C ATOM 1116 CG GLU A 71 0.651 -5.062 -4.748 1.00 0.00 C ATOM 1117 CD GLU A 71 -0.026 -6.244 -5.408 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -1.122 -6.640 -4.958 1.00 0.00 O ATOM 1119 OE2 GLU A 71 0.536 -6.781 -6.388 1.00 0.00 O ATOM 0 H GLU A 71 -1.482 -1.791 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 71 1.065 -2.812 -3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.041 -4.105 -3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.781 -3.688 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.520 -4.771 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.018 -5.361 -3.766 1.00 0.00 H new ATOM 1126 N LYS A 72 0.763 -1.473 -6.302 1.00 0.00 N ATOM 1127 CA LYS A 72 1.528 -0.957 -7.432 1.00 0.00 C ATOM 1128 C LYS A 72 2.470 0.160 -7.000 1.00 0.00 C ATOM 1129 O LYS A 72 3.604 0.232 -7.473 1.00 0.00 O ATOM 1130 CB LYS A 72 0.599 -0.462 -8.535 1.00 0.00 C ATOM 1131 CG LYS A 72 0.144 -1.571 -9.458 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.390 -1.025 -10.766 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.381 -2.090 -11.845 1.00 0.00 C ATOM 1134 NZ LYS A 72 0.995 -2.379 -12.331 1.00 0.00 N ATOM 0 H LYS A 72 -0.242 -1.312 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 72 2.129 -1.778 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.274 0.011 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.110 0.304 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.978 -2.244 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.630 -2.160 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.406 -0.657 -10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.215 -0.176 -11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.827 -3.005 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.000 -1.764 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.944 -2.880 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.514 -1.486 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.491 -2.973 -11.636 1.00 0.00 H new ATOM 1148 N VAL A 73 2.002 1.024 -6.105 1.00 0.00 N ATOM 1149 CA VAL A 73 2.821 2.123 -5.607 1.00 0.00 C ATOM 1150 C VAL A 73 4.066 1.572 -4.917 1.00 0.00 C ATOM 1151 O VAL A 73 5.173 2.051 -5.148 1.00 0.00 O ATOM 1152 CB VAL A 73 2.029 3.038 -4.643 1.00 0.00 C ATOM 1153 CG1 VAL A 73 2.958 3.975 -3.882 1.00 0.00 C ATOM 1154 CG2 VAL A 73 0.983 3.833 -5.412 1.00 0.00 C ATOM 0 H VAL A 73 1.062 0.985 -5.711 1.00 0.00 H new ATOM 0 HA VAL A 73 3.121 2.731 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 73 1.525 2.404 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.371 4.605 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.668 3.389 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.500 4.603 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.433 4.473 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.475 4.449 -6.164 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.291 3.147 -5.901 1.00 0.00 H new ATOM 1164 N ILE A 74 3.882 0.540 -4.101 1.00 0.00 N ATOM 1165 CA ILE A 74 4.998 -0.091 -3.403 1.00 0.00 C ATOM 1166 C ILE A 74 5.963 -0.712 -4.412 1.00 0.00 C ATOM 1167 O ILE A 74 7.184 -0.605 -4.275 1.00 0.00 O ATOM 1168 CB ILE A 74 4.506 -1.170 -2.411 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.732 -0.511 -1.270 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.675 -1.981 -1.860 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.983 -1.492 -0.398 1.00 0.00 C ATOM 0 H ILE A 74 2.972 0.122 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 74 5.516 0.680 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 74 3.845 -1.853 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.428 0.055 -0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.024 0.204 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.301 -2.733 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.195 -2.473 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.365 -1.317 -1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.458 -0.952 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.262 -2.041 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.688 -2.192 0.050 1.00 0.00 H new ATOM 1183 N HIS A 75 5.401 -1.346 -5.436 1.00 0.00 N ATOM 1184 CA HIS A 75 6.194 -1.965 -6.493 1.00 0.00 C ATOM 1185 C HIS A 75 6.987 -0.891 -7.238 1.00 0.00 C ATOM 1186 O HIS A 75 8.159 -1.073 -7.572 1.00 0.00 O ATOM 1187 CB HIS A 75 5.279 -2.739 -7.457 1.00 0.00 C ATOM 1188 CG HIS A 75 5.903 -3.049 -8.788 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.112 -3.698 -8.925 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.476 -2.788 -10.046 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.402 -3.819 -10.206 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.425 -3.276 -10.907 1.00 0.00 N ATOM 0 H HIS A 75 4.393 -1.445 -5.557 1.00 0.00 H new ATOM 0 HA HIS A 75 6.896 -2.672 -6.051 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.979 -3.674 -6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.371 -2.159 -7.621 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.559 -2.288 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.288 -4.284 -10.612 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.383 -3.227 -11.925 1.00 0.00 H new ATOM 1201 N ARG A 76 6.335 0.229 -7.493 1.00 0.00 N ATOM 1202 CA ARG A 76 6.970 1.338 -8.178 1.00 0.00 C ATOM 1203 C ARG A 76 8.057 1.941 -7.297 1.00 0.00 C ATOM 1204 O ARG A 76 9.155 2.230 -7.760 1.00 0.00 O ATOM 1205 CB ARG A 76 5.924 2.395 -8.532 1.00 0.00 C ATOM 1206 CG ARG A 76 6.480 3.576 -9.306 1.00 0.00 C ATOM 1207 CD ARG A 76 5.552 4.771 -9.211 1.00 0.00 C ATOM 1208 NE ARG A 76 6.022 5.907 -9.998 1.00 0.00 N ATOM 1209 CZ ARG A 76 5.223 6.877 -10.429 1.00 0.00 C ATOM 1210 NH1 ARG A 76 3.924 6.822 -10.162 1.00 0.00 N ATOM 1211 NH2 ARG A 76 5.722 7.892 -11.123 1.00 0.00 N ATOM 0 H ARG A 76 5.362 0.394 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 76 7.429 0.976 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.134 1.928 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.465 2.759 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.462 3.842 -8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.617 3.299 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.558 4.483 -9.552 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.456 5.071 -8.167 1.00 0.00 H new ATOM 0 HE ARG A 76 7.014 5.959 -10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.546 6.039 -9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.304 7.563 -10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.721 7.929 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.107 8.636 -11.453 1.00 0.00 H new ATOM 1225 N LEU A 77 7.742 2.093 -6.019 1.00 0.00 N ATOM 1226 CA LEU A 77 8.659 2.657 -5.035 1.00 0.00 C ATOM 1227 C LEU A 77 9.966 1.868 -4.966 1.00 0.00 C ATOM 1228 O LEU A 77 11.049 2.447 -4.845 1.00 0.00 O ATOM 1229 CB LEU A 77 7.970 2.667 -3.664 1.00 0.00 C ATOM 1230 CG LEU A 77 8.665 3.470 -2.559 1.00 0.00 C ATOM 1231 CD1 LEU A 77 7.636 4.016 -1.580 1.00 0.00 C ATOM 1232 CD2 LEU A 77 9.678 2.617 -1.815 1.00 0.00 C ATOM 0 H LEU A 77 6.837 1.827 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 77 8.911 3.674 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.962 3.062 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.868 1.636 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 77 9.193 4.299 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.142 4.585 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.940 4.666 -2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.088 3.189 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.155 3.214 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.172 1.765 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.435 2.259 -2.513 1.00 0.00 H new ATOM 1244 N THR A 78 9.864 0.553 -5.059 1.00 0.00 N ATOM 1245 CA THR A 78 11.032 -0.308 -4.970 1.00 0.00 C ATOM 1246 C THR A 78 11.806 -0.399 -6.286 1.00 0.00 C ATOM 1247 O THR A 78 13.034 -0.448 -6.281 1.00 0.00 O ATOM 1248 CB THR A 78 10.634 -1.729 -4.526 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.314 -2.035 -4.998 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.671 -1.856 -3.014 1.00 0.00 C ATOM 0 H THR A 78 8.983 0.057 -5.196 1.00 0.00 H new ATOM 0 HA THR A 78 11.684 0.149 -4.226 1.00 0.00 H new ATOM 0 HB THR A 78 11.350 -2.432 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.651 -1.644 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.386 -2.868 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.679 -1.647 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.974 -1.144 -2.572 1.00 0.00 H new ATOM 1258 N HIS A 79 11.102 -0.401 -7.411 1.00 0.00 N ATOM 1259 CA HIS A 79 11.762 -0.538 -8.708 1.00 0.00 C ATOM 1260 C HIS A 79 11.980 0.805 -9.410 1.00 0.00 C ATOM 1261 O HIS A 79 13.116 1.252 -9.573 1.00 0.00 O ATOM 1262 CB HIS A 79 10.945 -1.466 -9.613 1.00 0.00 C ATOM 1263 CG HIS A 79 11.778 -2.276 -10.562 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.256 -1.787 -11.760 1.00 0.00 N ATOM 1265 CD2 HIS A 79 12.209 -3.556 -10.486 1.00 0.00 C ATOM 1266 CE1 HIS A 79 12.940 -2.732 -12.378 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.927 -3.812 -11.625 1.00 0.00 N ATOM 0 H HIS A 79 10.087 -0.311 -7.455 1.00 0.00 H new ATOM 0 HA HIS A 79 12.747 -0.965 -8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.360 -2.142 -8.990 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.237 -0.868 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.022 -4.248 -9.678 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.427 -2.636 -13.337 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.379 -4.698 -11.853 1.00 0.00 H new ATOM 1276 N TYR A 80 10.888 1.435 -9.825 1.00 0.00 N ATOM 1277 CA TYR A 80 10.944 2.702 -10.558 1.00 0.00 C ATOM 1278 C TYR A 80 11.478 3.854 -9.715 1.00 0.00 C ATOM 1279 O TYR A 80 12.414 4.543 -10.119 1.00 0.00 O ATOM 1280 CB TYR A 80 9.552 3.065 -11.081 1.00 0.00 C ATOM 1281 CG TYR A 80 8.989 2.069 -12.065 1.00 0.00 C ATOM 1282 CD1 TYR A 80 9.370 2.095 -13.397 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.078 1.101 -11.661 1.00 0.00 C ATOM 1284 CE1 TYR A 80 8.862 1.185 -14.301 1.00 0.00 C ATOM 1285 CE2 TYR A 80 7.566 0.186 -12.558 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.963 0.233 -13.879 1.00 0.00 C ATOM 1287 OH TYR A 80 7.464 -0.678 -14.785 1.00 0.00 O ATOM 0 H TYR A 80 9.942 1.088 -9.666 1.00 0.00 H new ATOM 0 HA TYR A 80 11.638 2.553 -11.385 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.869 3.152 -10.236 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.598 4.045 -11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.076 2.840 -13.733 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.765 1.064 -10.628 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.169 1.220 -15.336 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.860 -0.562 -12.229 1.00 0.00 H new ATOM 0 HH TYR A 80 6.842 -1.284 -14.331 1.00 0.00 H new ATOM 1297 N ASP A 81 10.877 4.066 -8.558 1.00 0.00 N ATOM 1298 CA ASP A 81 11.279 5.153 -7.675 1.00 0.00 C ATOM 1299 C ASP A 81 12.652 4.897 -7.084 1.00 0.00 C ATOM 1300 O ASP A 81 13.511 5.777 -7.098 1.00 0.00 O ATOM 1301 CB ASP A 81 10.260 5.350 -6.551 1.00 0.00 C ATOM 1302 CG ASP A 81 9.022 6.100 -7.008 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.028 6.639 -8.135 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.039 6.152 -6.242 1.00 0.00 O ATOM 0 H ASP A 81 10.106 3.499 -8.205 1.00 0.00 H new ATOM 0 HA ASP A 81 11.321 6.062 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.966 4.377 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.729 5.896 -5.732 1.00 0.00 H new ATOM 1309 N HIS A 82 12.852 3.685 -6.564 1.00 0.00 N ATOM 1310 CA HIS A 82 14.124 3.296 -5.958 1.00 0.00 C ATOM 1311 C HIS A 82 14.453 4.223 -4.792 1.00 0.00 C ATOM 1312 O HIS A 82 15.618 4.515 -4.515 1.00 0.00 O ATOM 1313 CB HIS A 82 15.251 3.331 -6.997 1.00 0.00 C ATOM 1314 CG HIS A 82 15.996 2.039 -7.126 1.00 0.00 C ATOM 1315 ND1 HIS A 82 15.754 0.817 -6.596 1.00 0.00 N flip ATOM 1316 CD2 HIS A 82 17.137 1.904 -7.882 1.00 0.00 C flip ATOM 1317 CE1 HIS A 82 16.745 -0.020 -7.036 1.00 0.00 C flip ATOM 1318 NE2 HIS A 82 17.568 0.659 -7.807 1.00 0.00 N flip ATOM 0 H HIS A 82 12.143 2.952 -6.551 1.00 0.00 H new ATOM 0 HA HIS A 82 14.032 2.276 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.830 3.595 -7.967 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.954 4.120 -6.730 1.00 0.00 H new ATOM 0 HD1 HIS A 82 14.978 0.566 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.607 2.694 -8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.836 -1.068 -6.790 1.00 0.00 H new ATOM 1327 N VAL A 83 13.410 4.674 -4.104 1.00 0.00 N ATOM 1328 CA VAL A 83 13.562 5.586 -2.977 1.00 0.00 C ATOM 1329 C VAL A 83 13.579 4.822 -1.650 1.00 0.00 C ATOM 1330 O VAL A 83 13.576 5.411 -0.569 1.00 0.00 O ATOM 1331 CB VAL A 83 12.432 6.647 -2.980 1.00 0.00 C ATOM 1332 CG1 VAL A 83 11.110 6.046 -2.532 1.00 0.00 C ATOM 1333 CG2 VAL A 83 12.806 7.851 -2.126 1.00 0.00 C ATOM 0 H VAL A 83 12.444 4.420 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 83 14.518 6.098 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 83 12.307 6.993 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.338 6.815 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.829 5.239 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.213 5.652 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.994 8.578 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.978 7.529 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.714 8.309 -2.520 1.00 0.00 H new ATOM 1343 N LEU A 84 13.606 3.501 -1.736 1.00 0.00 N ATOM 1344 CA LEU A 84 13.636 2.673 -0.541 1.00 0.00 C ATOM 1345 C LEU A 84 15.075 2.393 -0.129 1.00 0.00 C ATOM 1346 O LEU A 84 15.903 1.993 -0.949 1.00 0.00 O ATOM 1347 CB LEU A 84 12.895 1.354 -0.777 1.00 0.00 C ATOM 1348 CG LEU A 84 12.407 0.640 0.486 1.00 0.00 C ATOM 1349 CD1 LEU A 84 11.422 1.509 1.249 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.766 -0.687 0.130 1.00 0.00 C ATOM 0 H LEU A 84 13.608 2.982 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 84 13.135 3.214 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.036 1.549 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 84 13.554 0.679 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 84 13.270 0.453 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.088 0.982 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.907 2.441 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.563 1.728 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.425 -1.182 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.916 -0.515 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.496 -1.320 -0.375 1.00 0.00 H new ATOM 1362 N ILE A 85 15.367 2.621 1.137 1.00 0.00 N ATOM 1363 CA ILE A 85 16.691 2.402 1.679 1.00 0.00 C ATOM 1364 C ILE A 85 16.744 1.036 2.345 1.00 0.00 C ATOM 1365 O ILE A 85 15.787 0.625 3.003 1.00 0.00 O ATOM 1366 CB ILE A 85 17.053 3.490 2.718 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.732 4.882 2.168 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.522 3.400 3.114 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.023 5.777 3.164 1.00 0.00 C ATOM 0 H ILE A 85 14.690 2.964 1.819 1.00 0.00 H new ATOM 0 HA ILE A 85 17.410 2.451 0.861 1.00 0.00 H new ATOM 0 HB ILE A 85 16.451 3.320 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 85 17.659 5.363 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 85 16.111 4.778 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.750 4.176 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.722 2.421 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 85 19.146 3.539 2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.827 6.747 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.080 5.318 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.652 5.911 4.044 1.00 0.00 H new ATOM 1381 N GLU A 86 17.840 0.326 2.160 1.00 0.00 N ATOM 1382 CA GLU A 86 17.992 -0.989 2.757 1.00 0.00 C ATOM 1383 C GLU A 86 19.390 -1.159 3.325 1.00 0.00 C ATOM 1384 O GLU A 86 20.346 -0.535 2.860 1.00 0.00 O ATOM 1385 CB GLU A 86 17.682 -2.091 1.741 1.00 0.00 C ATOM 1386 CG GLU A 86 18.438 -1.954 0.431 1.00 0.00 C ATOM 1387 CD GLU A 86 18.113 -3.069 -0.538 1.00 0.00 C ATOM 1388 OE1 GLU A 86 18.471 -4.231 -0.253 1.00 0.00 O ATOM 1389 OE2 GLU A 86 17.502 -2.790 -1.588 1.00 0.00 O ATOM 0 H GLU A 86 18.637 0.635 1.603 1.00 0.00 H new ATOM 0 HA GLU A 86 17.276 -1.075 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.918 -3.058 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.612 -2.089 1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.196 -0.995 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.509 -1.950 0.631 1.00 0.00 H new ATOM 1672 N TYR A 107 16.900 -4.398 7.174 1.00 0.00 N ATOM 1673 CA TYR A 107 15.769 -3.530 7.459 1.00 0.00 C ATOM 1674 C TYR A 107 15.473 -2.633 6.261 1.00 0.00 C ATOM 1675 O TYR A 107 16.390 -2.102 5.629 1.00 0.00 O ATOM 1676 CB TYR A 107 16.044 -2.676 8.700 1.00 0.00 C ATOM 1677 CG TYR A 107 16.114 -3.466 9.994 1.00 0.00 C ATOM 1678 CD1 TYR A 107 14.994 -4.109 10.508 1.00 0.00 C ATOM 1679 CD2 TYR A 107 17.304 -3.564 10.708 1.00 0.00 C ATOM 1680 CE1 TYR A 107 15.060 -4.825 11.691 1.00 0.00 C ATOM 1681 CE2 TYR A 107 17.377 -4.278 11.890 1.00 0.00 C ATOM 1682 CZ TYR A 107 16.252 -4.906 12.377 1.00 0.00 C ATOM 1683 OH TYR A 107 16.321 -5.616 13.558 1.00 0.00 O ATOM 0 HA TYR A 107 14.898 -4.156 7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 107 16.985 -2.144 8.560 1.00 0.00 H new ATOM 0 HB3 TYR A 107 15.262 -1.922 8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.056 -4.049 9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 107 18.189 -3.072 10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 107 14.180 -5.319 12.075 1.00 0.00 H new ATOM 0 HE2 TYR A 107 18.311 -4.343 12.428 1.00 0.00 H new ATOM 0 HH TYR A 107 17.234 -5.574 13.912 1.00 0.00 H new ATOM 1693 N LEU A 108 14.192 -2.489 5.949 1.00 0.00 N ATOM 1694 CA LEU A 108 13.748 -1.661 4.831 1.00 0.00 C ATOM 1695 C LEU A 108 13.199 -0.344 5.351 1.00 0.00 C ATOM 1696 O LEU A 108 12.297 -0.340 6.182 1.00 0.00 O ATOM 1697 CB LEU A 108 12.663 -2.385 4.030 1.00 0.00 C ATOM 1698 CG LEU A 108 13.160 -3.330 2.936 1.00 0.00 C ATOM 1699 CD1 LEU A 108 14.050 -2.592 1.950 1.00 0.00 C ATOM 1700 CD2 LEU A 108 13.898 -4.518 3.534 1.00 0.00 C ATOM 0 H LEU A 108 13.433 -2.940 6.460 1.00 0.00 H new ATOM 0 HA LEU A 108 14.601 -1.469 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.046 -2.956 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.017 -1.637 3.571 1.00 0.00 H new ATOM 0 HG LEU A 108 12.289 -3.707 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.392 -3.284 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.486 -1.783 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.911 -2.179 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.241 -5.174 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.756 -4.163 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.227 -5.069 4.193 1.00 0.00 H new ATOM 1712 N VAL A 109 13.711 0.760 4.840 1.00 0.00 N ATOM 1713 CA VAL A 109 13.281 2.078 5.294 1.00 0.00 C ATOM 1714 C VAL A 109 13.063 3.021 4.117 1.00 0.00 C ATOM 1715 O VAL A 109 13.814 3.002 3.155 1.00 0.00 O ATOM 1716 CB VAL A 109 14.313 2.684 6.283 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.738 2.369 5.851 1.00 0.00 C ATOM 1718 CG2 VAL A 109 14.129 4.187 6.441 1.00 0.00 C ATOM 0 H VAL A 109 14.424 0.775 4.111 1.00 0.00 H new ATOM 0 HA VAL A 109 12.331 1.955 5.814 1.00 0.00 H new ATOM 0 HB VAL A 109 14.134 2.221 7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.439 2.806 6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.878 1.289 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.919 2.787 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.870 4.573 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.256 4.673 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.129 4.393 6.822 1.00 0.00 H new ATOM 1728 N VAL A 110 12.018 3.830 4.188 1.00 0.00 N ATOM 1729 CA VAL A 110 11.725 4.781 3.126 1.00 0.00 C ATOM 1730 C VAL A 110 11.847 6.206 3.657 1.00 0.00 C ATOM 1731 O VAL A 110 11.625 6.451 4.847 1.00 0.00 O ATOM 1732 CB VAL A 110 10.314 4.550 2.530 1.00 0.00 C ATOM 1733 CG1 VAL A 110 9.224 4.991 3.494 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.169 5.263 1.194 1.00 0.00 C ATOM 0 H VAL A 110 11.360 3.848 4.967 1.00 0.00 H new ATOM 0 HA VAL A 110 12.451 4.629 2.327 1.00 0.00 H new ATOM 0 HB VAL A 110 10.198 3.479 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.247 4.815 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.305 4.422 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.338 6.053 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.170 5.087 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.320 6.333 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.913 4.880 0.495 1.00 0.00 H new ATOM 1744 N ASN A 111 12.218 7.133 2.788 1.00 0.00 N ATOM 1745 CA ASN A 111 12.365 8.526 3.178 1.00 0.00 C ATOM 1746 C ASN A 111 11.014 9.114 3.582 1.00 0.00 C ATOM 1747 O ASN A 111 9.997 8.855 2.936 1.00 0.00 O ATOM 1748 CB ASN A 111 12.987 9.342 2.041 1.00 0.00 C ATOM 1749 CG ASN A 111 14.417 8.927 1.745 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.674 8.135 0.836 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.356 9.461 2.507 1.00 0.00 N ATOM 0 H ASN A 111 12.423 6.945 1.807 1.00 0.00 H new ATOM 0 HA ASN A 111 13.033 8.573 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.384 9.224 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.965 10.400 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.335 9.221 2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.101 10.113 3.249 1.00 0.00 H new ATOM 1758 N PRO A 112 10.992 9.905 4.667 1.00 0.00 N ATOM 1759 CA PRO A 112 9.765 10.528 5.187 1.00 0.00 C ATOM 1760 C PRO A 112 9.202 11.609 4.270 1.00 0.00 C ATOM 1761 O PRO A 112 8.102 12.113 4.491 1.00 0.00 O ATOM 1762 CB PRO A 112 10.216 11.148 6.514 1.00 0.00 C ATOM 1763 CG PRO A 112 11.678 11.371 6.350 1.00 0.00 C ATOM 1764 CD PRO A 112 12.170 10.247 5.485 1.00 0.00 C ATOM 0 HA PRO A 112 8.961 9.798 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.693 12.083 6.712 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.009 10.483 7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.876 12.337 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.184 11.371 7.315 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.013 10.555 4.867 1.00 0.00 H new ATOM 0 HD3 PRO A 112 12.505 9.398 6.081 1.00 0.00 H new ATOM 1772 N ASN A 113 9.958 11.963 3.245 1.00 0.00 N ATOM 1773 CA ASN A 113 9.529 12.991 2.309 1.00 0.00 C ATOM 1774 C ASN A 113 8.743 12.375 1.162 1.00 0.00 C ATOM 1775 O ASN A 113 7.536 12.592 1.041 1.00 0.00 O ATOM 1776 CB ASN A 113 10.733 13.760 1.762 1.00 0.00 C ATOM 1777 CG ASN A 113 11.662 14.235 2.859 1.00 0.00 C ATOM 1778 OD1 ASN A 113 12.661 13.583 3.172 1.00 0.00 O ATOM 1779 ND2 ASN A 113 11.337 15.366 3.455 1.00 0.00 N ATOM 0 H ASN A 113 10.870 11.556 3.039 1.00 0.00 H new ATOM 0 HA ASN A 113 8.883 13.687 2.844 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.286 13.122 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.382 14.619 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.921 15.733 4.206 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.501 15.874 3.165 1.00 0.00 H new ATOM 1786 N TYR A 114 9.452 11.620 0.321 1.00 0.00 N ATOM 1787 CA TYR A 114 8.869 10.940 -0.838 1.00 0.00 C ATOM 1788 C TYR A 114 8.462 11.946 -1.914 1.00 0.00 C ATOM 1789 O TYR A 114 8.153 13.104 -1.624 1.00 0.00 O ATOM 1790 CB TYR A 114 7.673 10.068 -0.429 1.00 0.00 C ATOM 1791 CG TYR A 114 7.256 9.075 -1.490 1.00 0.00 C ATOM 1792 CD1 TYR A 114 8.093 8.029 -1.856 1.00 0.00 C ATOM 1793 CD2 TYR A 114 6.028 9.183 -2.125 1.00 0.00 C ATOM 1794 CE1 TYR A 114 7.717 7.121 -2.826 1.00 0.00 C ATOM 1795 CE2 TYR A 114 5.644 8.278 -3.096 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.493 7.249 -3.443 1.00 0.00 C ATOM 1797 OH TYR A 114 6.117 6.346 -4.408 1.00 0.00 O ATOM 0 H TYR A 114 10.454 11.462 0.425 1.00 0.00 H new ATOM 0 HA TYR A 114 9.633 10.285 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.924 9.528 0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.827 10.714 -0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.054 7.924 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.360 9.988 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.380 6.314 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.684 8.376 -3.580 1.00 0.00 H new ATOM 0 HH TYR A 114 6.880 6.155 -4.992 1.00 0.00 H new ATOM 1807 N LEU A 115 8.472 11.509 -3.161 1.00 0.00 N ATOM 1808 CA LEU A 115 8.112 12.376 -4.270 1.00 0.00 C ATOM 1809 C LEU A 115 6.681 12.119 -4.728 1.00 0.00 C ATOM 1810 O LEU A 115 6.071 11.120 -4.361 1.00 0.00 O ATOM 1811 CB LEU A 115 9.099 12.239 -5.458 1.00 0.00 C ATOM 1812 CG LEU A 115 9.610 10.825 -5.831 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.657 10.336 -4.843 1.00 0.00 C ATOM 1814 CD2 LEU A 115 8.474 9.821 -5.942 1.00 0.00 C ATOM 0 H LEU A 115 8.725 10.559 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 115 8.177 13.401 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.618 12.662 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.968 12.860 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 115 10.076 10.908 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.995 9.341 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.505 11.021 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.223 10.295 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.877 8.843 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.953 9.754 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.776 10.145 -6.714 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.618 -9.757 -3.551 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.904 -9.405 -4.142 1.00 0.00 C ATOM 2022 C LEU B 390 -7.863 -10.588 -4.097 1.00 0.00 C ATOM 2023 O LEU B 390 -9.073 -10.405 -3.992 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.719 -8.919 -5.578 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.720 -7.859 -6.032 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.679 -6.645 -5.108 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.428 -7.456 -7.467 1.00 0.00 C ATOM 0 HA LEU B 390 -7.337 -8.594 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.712 -8.515 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.790 -9.776 -6.248 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.724 -8.280 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -8.400 -5.903 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.929 -6.952 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.679 -6.212 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.145 -6.700 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.419 -7.050 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.510 -8.329 -8.114 1.00 0.00 H new ATOM 2039 N GLU B 391 -7.320 -11.798 -4.166 1.00 0.00 N ATOM 2040 CA GLU B 391 -8.137 -13.008 -4.104 1.00 0.00 C ATOM 2041 C GLU B 391 -8.855 -13.070 -2.758 1.00 0.00 C ATOM 2042 O GLU B 391 -9.942 -13.634 -2.634 1.00 0.00 O ATOM 2043 CB GLU B 391 -7.257 -14.247 -4.300 1.00 0.00 C ATOM 2044 CG GLU B 391 -8.027 -15.554 -4.432 1.00 0.00 C ATOM 2045 CD GLU B 391 -8.021 -16.375 -3.155 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -6.967 -16.440 -2.482 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -9.066 -16.973 -2.822 1.00 0.00 O ATOM 0 H GLU B 391 -6.319 -11.969 -4.265 1.00 0.00 H new ATOM 0 HA GLU B 391 -8.880 -12.984 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -6.648 -14.107 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.572 -14.327 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -9.057 -15.336 -4.713 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -7.595 -16.145 -5.240 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.237 -12.453 -1.760 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.784 -12.402 -0.414 1.00 0.00 C ATOM 2056 C ARG B 392 -10.129 -11.676 -0.400 1.00 0.00 C ATOM 2057 O ARG B 392 -11.019 -12.005 0.384 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.792 -11.694 0.516 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.217 -11.690 1.971 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.713 -12.924 2.708 1.00 0.00 C ATOM 2061 NE ARG B 392 -8.171 -14.168 2.088 1.00 0.00 N ATOM 2062 CZ ARG B 392 -9.109 -14.957 2.613 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -9.674 -14.640 3.769 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -9.471 -16.069 1.990 1.00 0.00 N ATOM 0 H ARG B 392 -7.342 -11.974 -1.862 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.946 -13.421 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.819 -12.179 0.432 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.665 -10.665 0.181 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -7.835 -10.793 2.459 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.304 -11.648 2.032 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -6.623 -12.911 2.730 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -8.053 -12.890 3.743 1.00 0.00 H new ATOM 0 HE ARG B 392 -7.748 -14.448 1.203 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -9.392 -13.791 4.259 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -10.391 -15.245 4.169 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -9.032 -16.324 1.106 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -10.189 -16.670 2.395 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.267 -10.709 -1.298 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.482 -9.907 -1.416 1.00 0.00 C ATOM 2080 C ILE B 393 -12.716 -10.783 -1.637 1.00 0.00 C ATOM 2081 O ILE B 393 -13.787 -10.508 -1.095 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.367 -8.884 -2.576 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.656 -7.618 -2.113 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.732 -8.528 -3.136 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.191 -7.820 -1.840 1.00 0.00 C ATOM 0 H ILE B 393 -9.539 -10.457 -1.967 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.597 -9.371 -0.474 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.780 -9.353 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.773 -6.846 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.139 -7.250 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.616 -7.809 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.216 -9.428 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.346 -8.091 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -8.748 -6.879 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.067 -8.569 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.695 -8.159 -2.749 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.543 -11.855 -2.403 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.641 -12.764 -2.724 1.00 0.00 C ATOM 2099 C ARG B 394 -14.294 -13.326 -1.462 1.00 0.00 C ATOM 2100 O ARG B 394 -15.498 -13.576 -1.439 1.00 0.00 O ATOM 2101 CB ARG B 394 -13.142 -13.895 -3.622 1.00 0.00 C ATOM 2102 CG ARG B 394 -12.428 -13.399 -4.871 1.00 0.00 C ATOM 2103 CD ARG B 394 -13.320 -12.489 -5.704 1.00 0.00 C ATOM 2104 NE ARG B 394 -14.109 -13.233 -6.685 1.00 0.00 N ATOM 2105 CZ ARG B 394 -15.115 -12.707 -7.389 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -15.506 -11.456 -7.178 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -15.746 -13.439 -8.300 1.00 0.00 N ATOM 0 H ARG B 394 -11.648 -12.118 -2.816 1.00 0.00 H new ATOM 0 HA ARG B 394 -14.402 -12.196 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -12.464 -14.530 -3.052 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -13.988 -14.516 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -11.525 -12.860 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -12.113 -14.251 -5.473 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -13.990 -11.938 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -12.704 -11.753 -6.220 1.00 0.00 H new ATOM 0 HE ARG B 394 -13.877 -14.214 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -15.037 -10.887 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -16.275 -11.064 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -15.463 -14.405 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -16.514 -13.035 -8.836 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.502 -13.526 -0.417 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.020 -14.034 0.847 1.00 0.00 C ATOM 2123 C ALA B 395 -14.171 -12.887 1.844 1.00 0.00 C ATOM 2124 O ALA B 395 -14.784 -13.025 2.901 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.097 -15.108 1.403 1.00 0.00 C ATOM 0 H ALA B 395 -12.498 -13.344 -0.419 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.999 -14.481 0.676 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.497 -15.478 2.347 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -13.026 -15.931 0.692 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.106 -14.686 1.569 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.603 -11.748 1.478 1.00 0.00 N ATOM 2132 CA LYS B 396 -13.632 -10.551 2.308 1.00 0.00 C ATOM 2133 C LYS B 396 -14.957 -9.804 2.160 1.00 0.00 C ATOM 2134 O LYS B 396 -15.455 -9.211 3.118 1.00 0.00 O ATOM 2135 CB LYS B 396 -12.461 -9.637 1.922 1.00 0.00 C ATOM 2136 CG LYS B 396 -12.319 -8.390 2.779 1.00 0.00 C ATOM 2137 CD LYS B 396 -13.065 -7.202 2.186 1.00 0.00 C ATOM 2138 CE LYS B 396 -13.025 -6.004 3.125 1.00 0.00 C ATOM 2139 NZ LYS B 396 -13.406 -6.370 4.518 1.00 0.00 N ATOM 0 H LYS B 396 -13.107 -11.626 0.595 1.00 0.00 H new ATOM 0 HA LYS B 396 -13.536 -10.850 3.352 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -11.536 -10.210 1.982 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -12.582 -9.335 0.882 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -12.699 -8.593 3.780 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -11.263 -8.140 2.883 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -12.621 -6.932 1.228 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.101 -7.480 1.990 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -12.022 -5.577 3.124 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -13.700 -5.232 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -13.300 -5.540 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -14.395 -6.690 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -12.789 -7.136 4.857 1.00 0.00 H new