USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 521 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 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 100:sc= -2.43! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 167:sc= -1.71 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.611) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.12) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 62 GLN : amide:sc= -0.062 K(o=-0.062,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 77 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD ----------------------------------------------------------------- ATOM 180 N PHE A 15 4.273 -19.786 -17.086 1.00 0.00 N ATOM 181 CA PHE A 15 5.335 -20.780 -16.979 1.00 0.00 C ATOM 182 C PHE A 15 5.404 -21.639 -18.239 1.00 0.00 C ATOM 183 O PHE A 15 4.391 -21.882 -18.894 1.00 0.00 O ATOM 184 CB PHE A 15 5.110 -21.668 -15.754 1.00 0.00 C ATOM 185 CG PHE A 15 5.742 -21.133 -14.501 1.00 0.00 C ATOM 186 CD1 PHE A 15 5.207 -20.030 -13.857 1.00 0.00 C ATOM 187 CD2 PHE A 15 6.871 -21.734 -13.968 1.00 0.00 C ATOM 188 CE1 PHE A 15 5.788 -19.535 -12.704 1.00 0.00 C ATOM 189 CE2 PHE A 15 7.455 -21.244 -12.815 1.00 0.00 C ATOM 190 CZ PHE A 15 6.912 -20.144 -12.182 1.00 0.00 C ATOM 0 HA PHE A 15 6.283 -20.253 -16.867 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.038 -21.783 -15.590 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.510 -22.662 -15.957 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.327 -19.551 -14.260 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.300 -22.595 -14.459 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.363 -18.673 -12.212 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.335 -21.721 -12.410 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.366 -19.760 -11.280 1.00 0.00 H new ATOM 200 N ARG A 16 6.608 -22.094 -18.571 1.00 0.00 N ATOM 201 CA ARG A 16 6.811 -22.924 -19.753 1.00 0.00 C ATOM 202 C ARG A 16 5.965 -24.192 -19.678 1.00 0.00 C ATOM 203 O ARG A 16 5.166 -24.470 -20.572 1.00 0.00 O ATOM 204 CB ARG A 16 8.289 -23.292 -19.896 1.00 0.00 C ATOM 205 CG ARG A 16 8.557 -24.329 -20.974 1.00 0.00 C ATOM 206 CD ARG A 16 10.044 -24.459 -21.265 1.00 0.00 C ATOM 207 NE ARG A 16 10.402 -25.809 -21.690 1.00 0.00 N ATOM 208 CZ ARG A 16 11.635 -26.298 -21.623 1.00 0.00 C ATOM 209 NH1 ARG A 16 12.623 -25.551 -21.150 1.00 0.00 N ATOM 210 NH2 ARG A 16 11.883 -27.537 -22.030 1.00 0.00 N ATOM 0 H ARG A 16 7.457 -21.902 -18.039 1.00 0.00 H new ATOM 0 HA ARG A 16 6.500 -22.351 -20.627 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.859 -22.391 -20.121 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.655 -23.670 -18.941 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.161 -25.294 -20.658 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.030 -24.051 -21.887 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.325 -23.748 -22.042 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.612 -24.197 -20.373 1.00 0.00 H new ATOM 0 HE ARG A 16 9.665 -26.410 -22.059 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.437 -24.598 -20.836 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.569 -25.929 -21.100 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.126 -28.115 -22.395 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.831 -27.911 -21.978 1.00 0.00 H new ATOM 224 N SER A 17 6.148 -24.957 -18.607 1.00 0.00 N ATOM 225 CA SER A 17 5.405 -26.198 -18.418 1.00 0.00 C ATOM 226 C SER A 17 3.907 -25.966 -18.591 1.00 0.00 C ATOM 227 O SER A 17 3.188 -26.833 -19.085 1.00 0.00 O ATOM 228 CB SER A 17 5.686 -26.779 -17.031 1.00 0.00 C ATOM 229 OG SER A 17 4.810 -26.230 -16.061 1.00 0.00 O ATOM 0 H SER A 17 6.804 -24.740 -17.857 1.00 0.00 H new ATOM 0 HA SER A 17 5.735 -26.909 -19.176 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.571 -27.863 -17.057 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.719 -26.574 -16.750 1.00 0.00 H new ATOM 0 HG SER A 17 5.009 -26.619 -15.184 1.00 0.00 H new ATOM 235 N GLU A 18 3.445 -24.789 -18.180 1.00 0.00 N ATOM 236 CA GLU A 18 2.033 -24.443 -18.289 1.00 0.00 C ATOM 237 C GLU A 18 1.627 -24.266 -19.749 1.00 0.00 C ATOM 238 O GLU A 18 0.555 -24.705 -20.164 1.00 0.00 O ATOM 239 CB GLU A 18 1.737 -23.161 -17.507 1.00 0.00 C ATOM 240 CG GLU A 18 0.351 -22.596 -17.767 1.00 0.00 C ATOM 241 CD GLU A 18 -0.754 -23.543 -17.344 1.00 0.00 C ATOM 242 OE1 GLU A 18 -1.045 -24.491 -18.103 1.00 0.00 O ATOM 243 OE2 GLU A 18 -1.329 -23.336 -16.255 1.00 0.00 O ATOM 0 H GLU A 18 4.028 -24.060 -17.769 1.00 0.00 H new ATOM 0 HA GLU A 18 1.451 -25.261 -17.865 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.844 -23.363 -16.441 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.481 -22.408 -17.765 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.241 -21.653 -17.231 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.247 -22.374 -18.829 1.00 0.00 H new ATOM 250 N VAL A 19 2.492 -23.619 -20.523 1.00 0.00 N ATOM 251 CA VAL A 19 2.225 -23.383 -21.937 1.00 0.00 C ATOM 252 C VAL A 19 2.321 -24.678 -22.737 1.00 0.00 C ATOM 253 O VAL A 19 1.583 -24.879 -23.703 1.00 0.00 O ATOM 254 CB VAL A 19 3.205 -22.353 -22.529 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.897 -22.106 -23.998 1.00 0.00 C ATOM 256 CG2 VAL A 19 3.153 -21.054 -21.739 1.00 0.00 C ATOM 0 H VAL A 19 3.384 -23.249 -20.195 1.00 0.00 H new ATOM 0 HA VAL A 19 1.211 -22.990 -22.007 1.00 0.00 H new ATOM 0 HB VAL A 19 4.216 -22.755 -22.457 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.600 -21.376 -24.399 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.990 -23.041 -24.551 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.881 -21.725 -24.098 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.852 -20.337 -22.171 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.143 -20.645 -21.777 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.427 -21.248 -20.702 1.00 0.00 H new ATOM 266 N LEU A 20 3.234 -25.552 -22.330 1.00 0.00 N ATOM 267 CA LEU A 20 3.426 -26.829 -23.008 1.00 0.00 C ATOM 268 C LEU A 20 2.154 -27.669 -22.961 1.00 0.00 C ATOM 269 O LEU A 20 1.961 -28.570 -23.776 1.00 0.00 O ATOM 270 CB LEU A 20 4.583 -27.600 -22.370 1.00 0.00 C ATOM 271 CG LEU A 20 5.956 -27.407 -23.015 1.00 0.00 C ATOM 272 CD1 LEU A 20 5.976 -28.003 -24.414 1.00 0.00 C ATOM 273 CD2 LEU A 20 6.323 -25.931 -23.057 1.00 0.00 C ATOM 0 H LEU A 20 3.853 -25.400 -21.534 1.00 0.00 H new ATOM 0 HA LEU A 20 3.665 -26.624 -24.051 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.652 -27.309 -21.322 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.340 -28.662 -22.391 1.00 0.00 H new ATOM 0 HG LEU A 20 6.698 -27.928 -22.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.961 -27.856 -24.858 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.758 -29.070 -24.358 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.223 -27.511 -25.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.303 -25.813 -23.519 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.579 -25.388 -23.640 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.350 -25.534 -22.042 1.00 0.00 H new ATOM 285 N GLY A 21 1.285 -27.364 -22.001 1.00 0.00 N ATOM 286 CA GLY A 21 0.041 -28.099 -21.866 1.00 0.00 C ATOM 287 C GLY A 21 -1.170 -27.254 -22.207 1.00 0.00 C ATOM 288 O GLY A 21 -2.292 -27.580 -21.819 1.00 0.00 O ATOM 0 H GLY A 21 1.421 -26.621 -21.315 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.066 -28.973 -22.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.052 -28.466 -20.844 1.00 0.00 H new ATOM 292 N TRP A 22 -0.945 -26.165 -22.934 1.00 0.00 N ATOM 293 CA TRP A 22 -2.027 -25.270 -23.325 1.00 0.00 C ATOM 294 C TRP A 22 -2.679 -25.738 -24.622 1.00 0.00 C ATOM 295 O TRP A 22 -2.296 -26.765 -25.184 1.00 0.00 O ATOM 296 CB TRP A 22 -1.502 -23.843 -23.490 1.00 0.00 C ATOM 297 CG TRP A 22 -1.563 -23.038 -22.227 1.00 0.00 C ATOM 298 CD1 TRP A 22 -1.935 -23.481 -20.990 1.00 0.00 C ATOM 299 CD2 TRP A 22 -1.243 -21.650 -22.079 1.00 0.00 C ATOM 300 NE1 TRP A 22 -1.866 -22.452 -20.082 1.00 0.00 N ATOM 301 CE2 TRP A 22 -1.443 -21.319 -20.725 1.00 0.00 C ATOM 302 CE3 TRP A 22 -0.805 -20.656 -22.958 1.00 0.00 C ATOM 303 CZ2 TRP A 22 -1.221 -20.036 -20.232 1.00 0.00 C ATOM 304 CZ3 TRP A 22 -0.586 -19.383 -22.468 1.00 0.00 C ATOM 305 CH2 TRP A 22 -0.793 -19.082 -21.115 1.00 0.00 C ATOM 0 H TRP A 22 -0.023 -25.881 -23.264 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.779 -25.284 -22.536 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.470 -23.881 -23.839 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.081 -23.338 -24.263 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -2.239 -24.491 -20.759 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -2.093 -22.521 -19.090 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -0.641 -20.879 -24.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.381 -19.802 -19.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -0.250 -18.607 -23.139 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.611 -18.078 -20.762 1.00 0.00 H new ATOM 316 N ASP A 23 -3.663 -24.980 -25.092 1.00 0.00 N ATOM 317 CA ASP A 23 -4.367 -25.318 -26.324 1.00 0.00 C ATOM 318 C ASP A 23 -4.493 -24.096 -27.229 1.00 0.00 C ATOM 319 O ASP A 23 -4.321 -22.955 -26.801 1.00 0.00 O ATOM 320 CB ASP A 23 -5.754 -25.879 -26.007 1.00 0.00 C ATOM 321 CG ASP A 23 -5.899 -26.277 -24.551 1.00 0.00 C ATOM 322 OD1 ASP A 23 -5.085 -27.097 -24.077 1.00 0.00 O ATOM 323 OD2 ASP A 23 -6.826 -25.768 -23.886 1.00 0.00 O ATOM 0 H ASP A 23 -3.992 -24.127 -24.639 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.788 -26.078 -26.848 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.509 -25.133 -26.254 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.945 -26.747 -26.639 1.00 0.00 H new ATOM 328 N PRO A 24 -4.801 -24.340 -28.512 1.00 0.00 N ATOM 329 CA PRO A 24 -4.956 -23.273 -29.505 1.00 0.00 C ATOM 330 C PRO A 24 -6.206 -22.433 -29.263 1.00 0.00 C ATOM 331 O PRO A 24 -6.417 -21.413 -29.919 1.00 0.00 O ATOM 332 CB PRO A 24 -5.071 -24.033 -30.828 1.00 0.00 C ATOM 333 CG PRO A 24 -5.594 -25.376 -30.449 1.00 0.00 C ATOM 334 CD PRO A 24 -5.020 -25.676 -29.092 1.00 0.00 C ATOM 0 HA PRO A 24 -4.128 -22.565 -29.475 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.745 -23.526 -31.519 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.104 -24.111 -31.325 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.684 -25.377 -30.421 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.294 -26.131 -31.175 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.706 -26.269 -28.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.090 -26.240 -29.165 1.00 0.00 H new ATOM 342 N ASP A 25 -7.031 -22.869 -28.317 1.00 0.00 N ATOM 343 CA ASP A 25 -8.260 -22.157 -27.988 1.00 0.00 C ATOM 344 C ASP A 25 -8.151 -21.487 -26.621 1.00 0.00 C ATOM 345 O ASP A 25 -8.877 -20.539 -26.323 1.00 0.00 O ATOM 346 CB ASP A 25 -9.452 -23.116 -28.005 1.00 0.00 C ATOM 347 CG ASP A 25 -10.779 -22.389 -28.103 1.00 0.00 C ATOM 348 OD1 ASP A 25 -10.872 -21.429 -28.896 1.00 0.00 O ATOM 349 OD2 ASP A 25 -11.724 -22.782 -27.388 1.00 0.00 O ATOM 0 H ASP A 25 -6.871 -23.712 -27.765 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.415 -21.384 -28.741 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.353 -23.800 -28.848 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.439 -23.723 -27.100 1.00 0.00 H new ATOM 354 N SER A 26 -7.238 -21.987 -25.794 1.00 0.00 N ATOM 355 CA SER A 26 -7.036 -21.441 -24.458 1.00 0.00 C ATOM 356 C SER A 26 -5.942 -20.378 -24.465 1.00 0.00 C ATOM 357 O SER A 26 -6.085 -19.319 -23.852 1.00 0.00 O ATOM 358 CB SER A 26 -6.672 -22.557 -23.477 1.00 0.00 C ATOM 359 OG SER A 26 -7.664 -22.699 -22.475 1.00 0.00 O ATOM 0 H SER A 26 -6.627 -22.770 -26.026 1.00 0.00 H new ATOM 0 HA SER A 26 -7.968 -20.976 -24.138 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.559 -23.497 -24.017 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.710 -22.338 -23.013 1.00 0.00 H new ATOM 0 HG SER A 26 -7.409 -23.420 -21.862 1.00 0.00 H new ATOM 365 N LEU A 27 -4.849 -20.667 -25.162 1.00 0.00 N ATOM 366 CA LEU A 27 -3.729 -19.737 -25.250 1.00 0.00 C ATOM 367 C LEU A 27 -4.204 -18.351 -25.673 1.00 0.00 C ATOM 368 O LEU A 27 -3.615 -17.340 -25.291 1.00 0.00 O ATOM 369 CB LEU A 27 -2.687 -20.256 -26.243 1.00 0.00 C ATOM 370 CG LEU A 27 -1.699 -19.221 -26.781 1.00 0.00 C ATOM 371 CD1 LEU A 27 -0.911 -18.592 -25.643 1.00 0.00 C ATOM 372 CD2 LEU A 27 -0.759 -19.857 -27.795 1.00 0.00 C ATOM 0 H LEU A 27 -4.714 -21.538 -25.675 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.275 -19.659 -24.262 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.121 -21.053 -25.761 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.211 -20.703 -27.088 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.264 -18.435 -27.282 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.213 -17.858 -26.046 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.597 -18.100 -24.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.357 -19.366 -25.112 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.063 -19.105 -28.167 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.202 -20.664 -27.319 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.338 -20.258 -28.627 1.00 0.00 H new ATOM 384 N ALA A 28 -5.273 -18.312 -26.460 1.00 0.00 N ATOM 385 CA ALA A 28 -5.830 -17.050 -26.931 1.00 0.00 C ATOM 386 C ALA A 28 -6.197 -16.142 -25.762 1.00 0.00 C ATOM 387 O ALA A 28 -6.104 -14.919 -25.861 1.00 0.00 O ATOM 388 CB ALA A 28 -7.048 -17.304 -27.807 1.00 0.00 C ATOM 0 H ALA A 28 -5.771 -19.140 -26.785 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.068 -16.545 -27.525 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.453 -16.353 -28.151 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.758 -17.908 -28.667 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.806 -17.834 -27.231 1.00 0.00 H new ATOM 394 N ASP A 29 -6.616 -16.749 -24.657 1.00 0.00 N ATOM 395 CA ASP A 29 -6.997 -15.995 -23.468 1.00 0.00 C ATOM 396 C ASP A 29 -5.802 -15.234 -22.901 1.00 0.00 C ATOM 397 O ASP A 29 -5.920 -14.070 -22.518 1.00 0.00 O ATOM 398 CB ASP A 29 -7.571 -16.933 -22.405 1.00 0.00 C ATOM 399 CG ASP A 29 -8.018 -16.192 -21.160 1.00 0.00 C ATOM 400 OD1 ASP A 29 -8.992 -15.417 -21.249 1.00 0.00 O ATOM 401 OD2 ASP A 29 -7.392 -16.388 -20.097 1.00 0.00 O ATOM 0 H ASP A 29 -6.700 -17.761 -24.560 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.762 -15.273 -23.755 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.417 -17.478 -22.824 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.819 -17.673 -22.133 1.00 0.00 H new ATOM 406 N TYR A 30 -4.654 -15.900 -22.849 1.00 0.00 N ATOM 407 CA TYR A 30 -3.439 -15.289 -22.325 1.00 0.00 C ATOM 408 C TYR A 30 -3.170 -13.947 -23.000 1.00 0.00 C ATOM 409 O TYR A 30 -2.846 -12.960 -22.338 1.00 0.00 O ATOM 410 CB TYR A 30 -2.244 -16.223 -22.528 1.00 0.00 C ATOM 411 CG TYR A 30 -0.910 -15.570 -22.245 1.00 0.00 C ATOM 412 CD1 TYR A 30 -0.737 -14.748 -21.138 1.00 0.00 C ATOM 413 CD2 TYR A 30 0.178 -15.776 -23.084 1.00 0.00 C ATOM 414 CE1 TYR A 30 0.480 -14.149 -20.876 1.00 0.00 C ATOM 415 CE2 TYR A 30 1.399 -15.182 -22.829 1.00 0.00 C ATOM 416 CZ TYR A 30 1.545 -14.369 -21.725 1.00 0.00 C ATOM 417 OH TYR A 30 2.759 -13.776 -21.467 1.00 0.00 O ATOM 0 H TYR A 30 -4.540 -16.864 -23.164 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.580 -15.117 -21.258 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.358 -17.092 -21.880 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.250 -16.588 -23.555 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.568 -14.574 -20.471 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.067 -16.411 -23.950 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.597 -13.512 -20.012 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.235 -15.354 -23.491 1.00 0.00 H new ATOM 0 HH TYR A 30 3.356 -14.425 -21.039 1.00 0.00 H new ATOM 427 N PHE A 31 -3.306 -13.919 -24.321 1.00 0.00 N ATOM 428 CA PHE A 31 -3.078 -12.699 -25.088 1.00 0.00 C ATOM 429 C PHE A 31 -4.133 -11.646 -24.760 1.00 0.00 C ATOM 430 O PHE A 31 -3.824 -10.461 -24.630 1.00 0.00 O ATOM 431 CB PHE A 31 -3.093 -13.004 -26.587 1.00 0.00 C ATOM 432 CG PHE A 31 -1.952 -13.871 -27.034 1.00 0.00 C ATOM 433 CD1 PHE A 31 -0.649 -13.400 -26.994 1.00 0.00 C ATOM 434 CD2 PHE A 31 -2.181 -15.158 -27.495 1.00 0.00 C ATOM 435 CE1 PHE A 31 0.404 -14.196 -27.405 1.00 0.00 C ATOM 436 CE2 PHE A 31 -1.132 -15.958 -27.906 1.00 0.00 C ATOM 437 CZ PHE A 31 0.161 -15.477 -27.862 1.00 0.00 C ATOM 0 H PHE A 31 -3.573 -14.727 -24.883 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.099 -12.304 -24.815 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.033 -13.495 -26.840 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.064 -12.066 -27.141 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.454 -12.399 -26.638 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.191 -15.540 -27.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.415 -13.817 -27.369 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.324 -16.960 -28.262 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.981 -16.101 -28.184 1.00 0.00 H new ATOM 447 N LYS A 32 -5.379 -12.087 -24.628 1.00 0.00 N ATOM 448 CA LYS A 32 -6.481 -11.184 -24.316 1.00 0.00 C ATOM 449 C LYS A 32 -6.191 -10.391 -23.045 1.00 0.00 C ATOM 450 O LYS A 32 -6.699 -9.285 -22.862 1.00 0.00 O ATOM 451 CB LYS A 32 -7.782 -11.973 -24.151 1.00 0.00 C ATOM 452 CG LYS A 32 -9.011 -11.094 -23.994 1.00 0.00 C ATOM 453 CD LYS A 32 -10.237 -11.910 -23.623 1.00 0.00 C ATOM 454 CE LYS A 32 -11.396 -11.018 -23.206 1.00 0.00 C ATOM 455 NZ LYS A 32 -12.416 -11.764 -22.418 1.00 0.00 N ATOM 0 H LYS A 32 -5.651 -13.064 -24.732 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.590 -10.483 -25.144 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.917 -12.620 -25.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.696 -12.621 -23.279 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.827 -10.343 -23.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.198 -10.558 -24.925 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.537 -12.524 -24.472 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.989 -12.591 -22.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.018 -10.185 -22.614 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.864 -10.592 -24.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.189 -11.121 -22.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.796 -12.544 -22.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.976 -12.149 -21.558 1.00 0.00 H new ATOM 469 N LYS A 33 -5.370 -10.963 -22.171 1.00 0.00 N ATOM 470 CA LYS A 33 -5.009 -10.309 -20.919 1.00 0.00 C ATOM 471 C LYS A 33 -3.871 -9.316 -21.132 1.00 0.00 C ATOM 472 O LYS A 33 -3.727 -8.351 -20.380 1.00 0.00 O ATOM 473 CB LYS A 33 -4.602 -11.351 -19.874 1.00 0.00 C ATOM 474 CG LYS A 33 -5.746 -12.246 -19.430 1.00 0.00 C ATOM 475 CD LYS A 33 -5.251 -13.623 -19.023 1.00 0.00 C ATOM 476 CE LYS A 33 -5.357 -13.832 -17.520 1.00 0.00 C ATOM 477 NZ LYS A 33 -6.680 -14.393 -17.130 1.00 0.00 N ATOM 0 H LYS A 33 -4.942 -11.879 -22.307 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.881 -9.763 -20.559 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.804 -11.971 -20.283 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.193 -10.839 -19.003 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.267 -11.783 -18.592 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.469 -12.343 -20.240 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.832 -14.387 -19.539 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.214 -13.745 -19.336 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.566 -14.505 -17.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.201 -12.882 -17.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.712 -14.521 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.434 -13.739 -17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.819 -15.312 -17.597 1.00 0.00 H new ATOM 491 N LEU A 34 -3.066 -9.557 -22.160 1.00 0.00 N ATOM 492 CA LEU A 34 -1.941 -8.683 -22.473 1.00 0.00 C ATOM 493 C LEU A 34 -2.343 -7.621 -23.492 1.00 0.00 C ATOM 494 O LEU A 34 -1.491 -6.986 -24.111 1.00 0.00 O ATOM 495 CB LEU A 34 -0.767 -9.503 -23.011 1.00 0.00 C ATOM 496 CG LEU A 34 -0.283 -10.646 -22.119 1.00 0.00 C ATOM 497 CD1 LEU A 34 0.759 -11.484 -22.843 1.00 0.00 C ATOM 498 CD2 LEU A 34 0.281 -10.103 -20.814 1.00 0.00 C ATOM 0 H LEU A 34 -3.171 -10.351 -22.792 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.636 -8.182 -21.554 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.053 -9.919 -23.977 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.070 -8.828 -23.189 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.135 -11.284 -21.886 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.092 -12.293 -22.192 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.323 -11.904 -23.749 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.611 -10.857 -23.107 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.621 -10.931 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.121 -9.442 -21.028 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.494 -9.547 -20.286 1.00 0.00 H new ATOM 510 N ASN A 35 -3.649 -7.434 -23.660 1.00 0.00 N ATOM 511 CA ASN A 35 -4.164 -6.448 -24.603 1.00 0.00 C ATOM 512 C ASN A 35 -3.767 -6.803 -26.032 1.00 0.00 C ATOM 513 O ASN A 35 -3.738 -5.941 -26.911 1.00 0.00 O ATOM 514 CB ASN A 35 -3.645 -5.053 -24.248 1.00 0.00 C ATOM 515 CG ASN A 35 -4.754 -4.118 -23.806 1.00 0.00 C ATOM 516 OD1 ASN A 35 -5.371 -4.319 -22.760 1.00 0.00 O ATOM 517 ND2 ASN A 35 -5.014 -3.089 -24.605 1.00 0.00 N ATOM 0 H ASN A 35 -4.369 -7.952 -23.156 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.252 -6.451 -24.536 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.905 -5.136 -23.452 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.137 -4.626 -25.113 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.750 -2.427 -24.361 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.477 -2.961 -25.463 1.00 0.00 H new ATOM 524 N TYR A 36 -3.464 -8.076 -26.257 1.00 0.00 N ATOM 525 CA TYR A 36 -3.067 -8.545 -27.580 1.00 0.00 C ATOM 526 C TYR A 36 -4.223 -9.258 -28.274 1.00 0.00 C ATOM 527 O TYR A 36 -4.179 -10.469 -28.494 1.00 0.00 O ATOM 528 CB TYR A 36 -1.865 -9.485 -27.471 1.00 0.00 C ATOM 529 CG TYR A 36 -0.588 -8.789 -27.058 1.00 0.00 C ATOM 530 CD1 TYR A 36 -0.231 -7.564 -27.609 1.00 0.00 C ATOM 531 CD2 TYR A 36 0.263 -9.356 -26.117 1.00 0.00 C ATOM 532 CE1 TYR A 36 0.935 -6.925 -27.235 1.00 0.00 C ATOM 533 CE2 TYR A 36 1.430 -8.723 -25.736 1.00 0.00 C ATOM 534 CZ TYR A 36 1.762 -7.508 -26.298 1.00 0.00 C ATOM 535 OH TYR A 36 2.925 -6.875 -25.922 1.00 0.00 O ATOM 0 H TYR A 36 -3.485 -8.802 -25.541 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.788 -7.677 -28.177 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.092 -10.269 -26.748 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.708 -9.974 -28.433 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.877 -7.104 -28.342 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.007 -10.308 -25.676 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.198 -5.974 -27.674 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.079 -9.177 -25.002 1.00 0.00 H new ATOM 0 HH TYR A 36 3.392 -7.418 -25.253 1.00 0.00 H new ATOM 545 N LYS A 37 -5.257 -8.498 -28.619 1.00 0.00 N ATOM 546 CA LYS A 37 -6.426 -9.054 -29.290 1.00 0.00 C ATOM 547 C LYS A 37 -6.100 -9.420 -30.735 1.00 0.00 C ATOM 548 O LYS A 37 -6.785 -10.241 -31.346 1.00 0.00 O ATOM 549 CB LYS A 37 -7.583 -8.054 -29.255 1.00 0.00 C ATOM 550 CG LYS A 37 -8.478 -8.201 -28.037 1.00 0.00 C ATOM 551 CD LYS A 37 -9.044 -6.862 -27.595 1.00 0.00 C ATOM 552 CE LYS A 37 -8.098 -6.143 -26.645 1.00 0.00 C ATOM 553 NZ LYS A 37 -7.779 -4.767 -27.116 1.00 0.00 N ATOM 0 H LYS A 37 -5.309 -7.494 -28.445 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.721 -9.960 -28.761 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.178 -7.042 -29.278 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.186 -8.177 -30.155 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.295 -8.885 -28.266 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.911 -8.645 -27.219 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.228 -6.237 -28.469 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.006 -7.016 -27.105 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.548 -6.092 -25.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.176 -6.716 -26.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.132 -4.311 -26.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.326 -4.816 -28.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.656 -4.212 -27.185 1.00 0.00 H new ATOM 567 N ASP A 38 -5.051 -8.808 -31.273 1.00 0.00 N ATOM 568 CA ASP A 38 -4.633 -9.072 -32.645 1.00 0.00 C ATOM 569 C ASP A 38 -3.913 -10.413 -32.746 1.00 0.00 C ATOM 570 O ASP A 38 -3.857 -11.021 -33.816 1.00 0.00 O ATOM 571 CB ASP A 38 -3.722 -7.951 -33.148 1.00 0.00 C ATOM 572 CG ASP A 38 -4.137 -7.437 -34.513 1.00 0.00 C ATOM 573 OD1 ASP A 38 -3.855 -8.124 -35.516 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.743 -6.346 -34.577 1.00 0.00 O ATOM 0 H ASP A 38 -4.475 -8.126 -30.780 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.526 -9.112 -33.269 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.735 -7.128 -32.434 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.696 -8.315 -33.196 1.00 0.00 H new ATOM 579 N CYS A 39 -3.362 -10.868 -31.626 1.00 0.00 N ATOM 580 CA CYS A 39 -2.644 -12.137 -31.588 1.00 0.00 C ATOM 581 C CYS A 39 -3.588 -13.287 -31.255 1.00 0.00 C ATOM 582 O CYS A 39 -3.591 -14.316 -31.931 1.00 0.00 O ATOM 583 CB CYS A 39 -1.513 -12.076 -30.560 1.00 0.00 C ATOM 584 SG CYS A 39 -0.384 -10.682 -30.787 1.00 0.00 S ATOM 0 H CYS A 39 -3.399 -10.377 -30.733 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.219 -12.315 -32.576 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.947 -12.020 -29.562 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.942 -13.003 -30.608 1.00 0.00 H new ATOM 0 HG CYS A 39 0.361 -10.551 -29.730 1.00 0.00 H new ATOM 590 N GLU A 40 -4.388 -13.106 -30.209 1.00 0.00 N ATOM 591 CA GLU A 40 -5.335 -14.131 -29.785 1.00 0.00 C ATOM 592 C GLU A 40 -6.199 -14.590 -30.956 1.00 0.00 C ATOM 593 O GLU A 40 -6.647 -15.736 -31.000 1.00 0.00 O ATOM 594 CB GLU A 40 -6.223 -13.601 -28.657 1.00 0.00 C ATOM 595 CG GLU A 40 -7.325 -12.671 -29.137 1.00 0.00 C ATOM 596 CD GLU A 40 -8.011 -11.943 -27.997 1.00 0.00 C ATOM 597 OE1 GLU A 40 -7.299 -11.433 -27.106 1.00 0.00 O ATOM 598 OE2 GLU A 40 -9.258 -11.884 -27.995 1.00 0.00 O ATOM 0 H GLU A 40 -4.399 -12.260 -29.640 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.767 -14.986 -29.418 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.673 -14.444 -28.133 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.602 -13.072 -27.934 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.904 -11.941 -29.828 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.065 -13.247 -29.693 1.00 0.00 H new ATOM 605 N LYS A 41 -6.431 -13.686 -31.902 1.00 0.00 N ATOM 606 CA LYS A 41 -7.241 -13.996 -33.074 1.00 0.00 C ATOM 607 C LYS A 41 -6.601 -15.107 -33.900 1.00 0.00 C ATOM 608 O LYS A 41 -7.213 -16.149 -34.135 1.00 0.00 O ATOM 609 CB LYS A 41 -7.425 -12.746 -33.937 1.00 0.00 C ATOM 610 CG LYS A 41 -8.330 -11.700 -33.309 1.00 0.00 C ATOM 611 CD LYS A 41 -9.726 -11.739 -33.908 1.00 0.00 C ATOM 612 CE LYS A 41 -10.704 -12.462 -32.994 1.00 0.00 C ATOM 613 NZ LYS A 41 -11.805 -11.567 -32.542 1.00 0.00 N ATOM 0 H LYS A 41 -6.069 -12.733 -31.880 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.216 -14.340 -32.730 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.449 -12.301 -34.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.838 -13.039 -34.902 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.390 -11.867 -32.234 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.898 -10.710 -33.454 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.076 -10.722 -34.085 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.694 -12.238 -34.876 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.125 -13.320 -33.518 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.171 -12.850 -32.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.450 -12.096 -31.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.405 -10.761 -32.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.330 -11.217 -33.369 1.00 0.00 H new ATOM 627 N ALA A 42 -5.366 -14.879 -34.335 1.00 0.00 N ATOM 628 CA ALA A 42 -4.643 -15.862 -35.130 1.00 0.00 C ATOM 629 C ALA A 42 -4.414 -17.146 -34.341 1.00 0.00 C ATOM 630 O ALA A 42 -4.350 -18.235 -34.912 1.00 0.00 O ATOM 631 CB ALA A 42 -3.315 -15.286 -35.601 1.00 0.00 C ATOM 0 H ALA A 42 -4.846 -14.021 -34.150 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.251 -16.106 -36.001 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.785 -16.031 -36.194 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.498 -14.401 -36.210 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.710 -15.013 -34.737 1.00 0.00 H new ATOM 637 N VAL A 43 -4.290 -17.012 -33.024 1.00 0.00 N ATOM 638 CA VAL A 43 -4.069 -18.162 -32.156 1.00 0.00 C ATOM 639 C VAL A 43 -5.235 -19.140 -32.231 1.00 0.00 C ATOM 640 O VAL A 43 -5.052 -20.353 -32.118 1.00 0.00 O ATOM 641 CB VAL A 43 -3.870 -17.729 -30.691 1.00 0.00 C ATOM 642 CG1 VAL A 43 -3.679 -18.944 -29.796 1.00 0.00 C ATOM 643 CG2 VAL A 43 -2.688 -16.779 -30.572 1.00 0.00 C ATOM 0 H VAL A 43 -4.339 -16.118 -32.535 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.163 -18.655 -32.508 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.765 -17.202 -30.362 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.540 -18.618 -28.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.559 -19.584 -29.859 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.801 -19.502 -30.122 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.562 -16.483 -29.530 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.783 -17.278 -30.919 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.870 -15.894 -31.181 1.00 0.00 H new ATOM 653 N LYS A 44 -6.437 -18.606 -32.423 1.00 0.00 N ATOM 654 CA LYS A 44 -7.636 -19.431 -32.516 1.00 0.00 C ATOM 655 C LYS A 44 -7.964 -19.752 -33.971 1.00 0.00 C ATOM 656 O LYS A 44 -8.403 -20.857 -34.290 1.00 0.00 O ATOM 657 CB LYS A 44 -8.821 -18.720 -31.860 1.00 0.00 C ATOM 658 CG LYS A 44 -8.775 -18.734 -30.342 1.00 0.00 C ATOM 659 CD LYS A 44 -9.575 -17.588 -29.749 1.00 0.00 C ATOM 660 CE LYS A 44 -10.265 -17.999 -28.457 1.00 0.00 C ATOM 661 NZ LYS A 44 -11.551 -18.706 -28.715 1.00 0.00 N ATOM 0 H LYS A 44 -6.607 -17.605 -32.517 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.445 -20.366 -31.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.850 -17.686 -32.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.746 -19.192 -32.191 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.168 -19.682 -29.974 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.740 -18.667 -30.008 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.914 -16.743 -29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.320 -17.252 -30.470 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.603 -18.647 -27.882 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.453 -17.115 -27.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.253 -18.421 -28.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.899 -18.458 -29.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.400 -19.733 -28.659 1.00 0.00 H new ATOM 675 N LYS A 45 -7.746 -18.780 -34.850 1.00 0.00 N ATOM 676 CA LYS A 45 -8.015 -18.959 -36.272 1.00 0.00 C ATOM 677 C LYS A 45 -7.066 -19.986 -36.881 1.00 0.00 C ATOM 678 O LYS A 45 -7.499 -20.940 -37.528 1.00 0.00 O ATOM 679 CB LYS A 45 -7.881 -17.625 -37.010 1.00 0.00 C ATOM 680 CG LYS A 45 -8.522 -17.624 -38.387 1.00 0.00 C ATOM 681 CD LYS A 45 -7.637 -18.310 -39.414 1.00 0.00 C ATOM 682 CE LYS A 45 -8.090 -18.003 -40.833 1.00 0.00 C ATOM 683 NZ LYS A 45 -7.713 -19.087 -41.782 1.00 0.00 N ATOM 0 H LYS A 45 -7.383 -17.859 -34.602 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.036 -19.326 -36.379 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.335 -16.839 -36.407 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.824 -17.380 -37.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.487 -18.130 -38.341 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.715 -16.598 -38.699 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.605 -17.985 -39.282 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.655 -19.387 -39.250 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.171 -17.867 -40.848 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.646 -17.063 -41.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.039 -18.840 -42.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.679 -19.200 -41.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.157 -19.979 -41.484 1.00 0.00 H new ATOM 697 N TYR A 46 -5.770 -19.786 -36.668 1.00 0.00 N ATOM 698 CA TYR A 46 -4.759 -20.694 -37.196 1.00 0.00 C ATOM 699 C TYR A 46 -4.592 -21.910 -36.290 1.00 0.00 C ATOM 700 O TYR A 46 -3.919 -22.877 -36.647 1.00 0.00 O ATOM 701 CB TYR A 46 -3.421 -19.969 -37.347 1.00 0.00 C ATOM 702 CG TYR A 46 -3.426 -18.906 -38.422 1.00 0.00 C ATOM 703 CD1 TYR A 46 -4.115 -17.713 -38.243 1.00 0.00 C ATOM 704 CD2 TYR A 46 -2.742 -19.094 -39.616 1.00 0.00 C ATOM 705 CE1 TYR A 46 -4.123 -16.739 -39.222 1.00 0.00 C ATOM 706 CE2 TYR A 46 -2.743 -18.125 -40.601 1.00 0.00 C ATOM 707 CZ TYR A 46 -3.435 -16.949 -40.399 1.00 0.00 C ATOM 708 OH TYR A 46 -3.440 -15.982 -41.378 1.00 0.00 O ATOM 0 H TYR A 46 -5.395 -19.003 -36.133 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.091 -21.037 -38.176 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.157 -19.509 -36.395 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.645 -20.700 -37.574 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.654 -17.544 -37.322 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.200 -20.014 -39.777 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.665 -15.818 -39.067 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.205 -18.287 -41.523 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.907 -16.287 -42.142 1.00 0.00 H new ATOM 718 N HIS A 47 -5.212 -21.854 -35.116 1.00 0.00 N ATOM 719 CA HIS A 47 -5.134 -22.951 -34.157 1.00 0.00 C ATOM 720 C HIS A 47 -3.701 -23.149 -33.673 1.00 0.00 C ATOM 721 O HIS A 47 -3.084 -24.181 -33.935 1.00 0.00 O ATOM 722 CB HIS A 47 -5.655 -24.244 -34.787 1.00 0.00 C ATOM 723 CG HIS A 47 -6.961 -24.079 -35.500 1.00 0.00 C ATOM 724 ND1 HIS A 47 -8.146 -23.811 -34.849 1.00 0.00 N ATOM 725 CD2 HIS A 47 -7.264 -24.144 -36.818 1.00 0.00 C ATOM 726 CE1 HIS A 47 -9.122 -23.720 -35.734 1.00 0.00 C ATOM 727 NE2 HIS A 47 -8.614 -23.918 -36.937 1.00 0.00 N ATOM 0 H HIS A 47 -5.774 -21.061 -34.805 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.756 -22.696 -33.299 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.912 -24.621 -35.490 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.768 -24.998 -34.008 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.573 -24.337 -37.625 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.159 -23.518 -35.512 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.138 -23.905 -37.812 1.00 0.00 H new ATOM 735 N ILE A 48 -3.179 -22.153 -32.966 1.00 0.00 N ATOM 736 CA ILE A 48 -1.819 -22.218 -32.444 1.00 0.00 C ATOM 737 C ILE A 48 -1.819 -22.441 -30.936 1.00 0.00 C ATOM 738 O ILE A 48 -2.093 -21.523 -30.162 1.00 0.00 O ATOM 739 CB ILE A 48 -1.032 -20.932 -32.762 1.00 0.00 C ATOM 740 CG1 ILE A 48 -1.133 -20.602 -34.253 1.00 0.00 C ATOM 741 CG2 ILE A 48 0.423 -21.086 -32.345 1.00 0.00 C ATOM 742 CD1 ILE A 48 -0.364 -19.361 -34.650 1.00 0.00 C ATOM 0 H ILE A 48 -3.677 -21.291 -32.741 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.333 -23.062 -32.933 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.467 -20.108 -32.197 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.763 -21.449 -34.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.182 -20.470 -34.517 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.967 -20.170 -32.576 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.476 -21.279 -31.274 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.870 -21.919 -32.887 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.480 -19.188 -35.720 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.749 -18.503 -34.099 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.692 -19.497 -34.417 1.00 0.00 H new ATOM 754 N ASP A 49 -1.508 -23.665 -30.525 1.00 0.00 N ATOM 755 CA ASP A 49 -1.469 -24.009 -29.108 1.00 0.00 C ATOM 756 C ASP A 49 -0.223 -23.432 -28.443 1.00 0.00 C ATOM 757 O ASP A 49 0.716 -23.012 -29.119 1.00 0.00 O ATOM 758 CB ASP A 49 -1.501 -25.528 -28.929 1.00 0.00 C ATOM 759 CG ASP A 49 -0.130 -26.157 -29.077 1.00 0.00 C ATOM 760 OD1 ASP A 49 0.553 -25.865 -30.081 1.00 0.00 O ATOM 761 OD2 ASP A 49 0.261 -26.942 -28.187 1.00 0.00 O ATOM 0 H ASP A 49 -1.279 -24.436 -31.153 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.348 -23.576 -28.630 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.903 -25.767 -27.944 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.179 -25.963 -29.664 1.00 0.00 H new ATOM 766 N GLY A 50 -0.222 -23.414 -27.114 1.00 0.00 N ATOM 767 CA GLY A 50 0.913 -22.886 -26.379 1.00 0.00 C ATOM 768 C GLY A 50 2.228 -23.491 -26.831 1.00 0.00 C ATOM 769 O GLY A 50 3.201 -22.774 -27.062 1.00 0.00 O ATOM 0 H GLY A 50 -0.987 -23.756 -26.533 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.952 -21.804 -26.505 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.775 -23.078 -25.315 1.00 0.00 H new ATOM 773 N ALA A 51 2.257 -24.813 -26.955 1.00 0.00 N ATOM 774 CA ALA A 51 3.462 -25.514 -27.382 1.00 0.00 C ATOM 775 C ALA A 51 3.981 -24.959 -28.704 1.00 0.00 C ATOM 776 O ALA A 51 5.176 -25.026 -28.990 1.00 0.00 O ATOM 777 CB ALA A 51 3.190 -27.006 -27.504 1.00 0.00 C ATOM 0 H ALA A 51 1.460 -25.421 -26.766 1.00 0.00 H new ATOM 0 HA ALA A 51 4.231 -25.357 -26.625 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.098 -27.517 -27.824 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.874 -27.398 -26.537 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.402 -27.173 -28.239 1.00 0.00 H new ATOM 783 N ARG A 52 3.074 -24.412 -29.507 1.00 0.00 N ATOM 784 CA ARG A 52 3.440 -23.848 -30.801 1.00 0.00 C ATOM 785 C ARG A 52 3.935 -22.413 -30.647 1.00 0.00 C ATOM 786 O ARG A 52 4.709 -21.921 -31.468 1.00 0.00 O ATOM 787 CB ARG A 52 2.244 -23.886 -31.754 1.00 0.00 C ATOM 788 CG ARG A 52 2.292 -25.039 -32.744 1.00 0.00 C ATOM 789 CD ARG A 52 0.995 -25.151 -33.531 1.00 0.00 C ATOM 790 NE ARG A 52 1.234 -25.235 -34.970 1.00 0.00 N ATOM 791 CZ ARG A 52 0.326 -25.660 -35.842 1.00 0.00 C ATOM 792 NH1 ARG A 52 -0.875 -26.036 -35.423 1.00 0.00 N ATOM 793 NH2 ARG A 52 0.618 -25.709 -37.135 1.00 0.00 N ATOM 0 H ARG A 52 2.081 -24.347 -29.284 1.00 0.00 H new ATOM 0 HA ARG A 52 4.247 -24.451 -31.217 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.327 -23.957 -31.170 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.199 -22.947 -32.305 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.125 -24.895 -33.432 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.477 -25.971 -32.210 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.447 -26.034 -33.202 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.366 -24.287 -33.318 1.00 0.00 H new ATOM 0 HE ARG A 52 2.148 -24.952 -35.324 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.103 -25.999 -34.430 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.570 -26.362 -36.094 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.540 -25.420 -37.461 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.080 -26.035 -37.803 1.00 0.00 H new ATOM 807 N PHE A 53 3.483 -21.746 -29.590 1.00 0.00 N ATOM 808 CA PHE A 53 3.879 -20.367 -29.329 1.00 0.00 C ATOM 809 C PHE A 53 5.346 -20.292 -28.915 1.00 0.00 C ATOM 810 O PHE A 53 6.096 -19.443 -29.398 1.00 0.00 O ATOM 811 CB PHE A 53 2.997 -19.759 -28.236 1.00 0.00 C ATOM 812 CG PHE A 53 3.341 -18.333 -27.913 1.00 0.00 C ATOM 813 CD1 PHE A 53 3.225 -17.344 -28.877 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.778 -17.982 -26.647 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.541 -16.031 -28.582 1.00 0.00 C ATOM 816 CE2 PHE A 53 4.096 -16.670 -26.346 1.00 0.00 C ATOM 817 CZ PHE A 53 3.976 -15.693 -27.316 1.00 0.00 C ATOM 0 H PHE A 53 2.842 -22.138 -28.900 1.00 0.00 H new ATOM 0 HA PHE A 53 3.750 -19.797 -30.249 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.955 -19.811 -28.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.087 -20.360 -27.331 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.884 -17.602 -29.869 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.872 -18.742 -25.885 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.448 -15.269 -29.342 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.437 -16.410 -25.355 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.222 -14.667 -27.084 1.00 0.00 H new ATOM 827 N LEU A 54 5.748 -21.185 -28.017 1.00 0.00 N ATOM 828 CA LEU A 54 7.125 -21.220 -27.537 1.00 0.00 C ATOM 829 C LEU A 54 8.088 -21.558 -28.670 1.00 0.00 C ATOM 830 O LEU A 54 9.268 -21.214 -28.617 1.00 0.00 O ATOM 831 CB LEU A 54 7.266 -22.244 -26.410 1.00 0.00 C ATOM 832 CG LEU A 54 6.407 -21.999 -25.168 1.00 0.00 C ATOM 833 CD1 LEU A 54 6.807 -22.946 -24.047 1.00 0.00 C ATOM 834 CD2 LEU A 54 6.526 -20.552 -24.715 1.00 0.00 C ATOM 0 H LEU A 54 5.140 -21.894 -27.607 1.00 0.00 H new ATOM 0 HA LEU A 54 7.376 -20.231 -27.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.021 -23.229 -26.808 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.312 -22.275 -26.104 1.00 0.00 H new ATOM 0 HG LEU A 54 5.366 -22.194 -25.425 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.185 -22.757 -23.172 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.669 -23.976 -24.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.854 -22.784 -23.790 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.908 -20.396 -23.831 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.566 -20.330 -24.475 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.189 -19.892 -25.514 1.00 0.00 H new ATOM 846 N ASN A 55 7.576 -22.231 -29.695 1.00 0.00 N ATOM 847 CA ASN A 55 8.391 -22.614 -30.842 1.00 0.00 C ATOM 848 C ASN A 55 8.152 -21.671 -32.018 1.00 0.00 C ATOM 849 O ASN A 55 8.252 -22.071 -33.178 1.00 0.00 O ATOM 850 CB ASN A 55 8.080 -24.053 -31.257 1.00 0.00 C ATOM 851 CG ASN A 55 8.574 -25.067 -30.243 1.00 0.00 C ATOM 852 OD1 ASN A 55 9.618 -24.878 -29.618 1.00 0.00 O ATOM 853 ND2 ASN A 55 7.824 -26.149 -30.075 1.00 0.00 N ATOM 0 H ASN A 55 6.600 -22.522 -29.755 1.00 0.00 H new ATOM 0 HA ASN A 55 9.439 -22.545 -30.551 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.004 -24.167 -31.385 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.540 -24.257 -32.224 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.105 -26.866 -29.406 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.966 -26.264 -30.615 1.00 0.00 H new ATOM 860 N LEU A 56 7.838 -20.418 -31.709 1.00 0.00 N ATOM 861 CA LEU A 56 7.586 -19.416 -32.740 1.00 0.00 C ATOM 862 C LEU A 56 8.712 -19.398 -33.768 1.00 0.00 C ATOM 863 O LEU A 56 9.796 -18.873 -33.509 1.00 0.00 O ATOM 864 CB LEU A 56 7.434 -18.032 -32.107 1.00 0.00 C ATOM 865 CG LEU A 56 6.097 -17.329 -32.344 1.00 0.00 C ATOM 866 CD1 LEU A 56 5.976 -16.886 -33.793 1.00 0.00 C ATOM 867 CD2 LEU A 56 4.940 -18.242 -31.965 1.00 0.00 C ATOM 0 H LEU A 56 7.752 -20.071 -30.754 1.00 0.00 H new ATOM 0 HA LEU A 56 6.659 -19.679 -33.249 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.586 -18.128 -31.032 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.231 -17.392 -32.486 1.00 0.00 H new ATOM 0 HG LEU A 56 6.057 -16.443 -31.711 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.018 -16.388 -33.942 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.785 -16.196 -34.031 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.038 -17.757 -34.446 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.996 -17.725 -32.140 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.976 -19.147 -32.572 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.017 -18.509 -30.911 1.00 0.00 H new ATOM 922 N ASP A 60 5.719 -19.674 -38.369 1.00 0.00 N ATOM 923 CA ASP A 60 4.617 -19.227 -37.526 1.00 0.00 C ATOM 924 C ASP A 60 4.507 -17.705 -37.538 1.00 0.00 C ATOM 925 O ASP A 60 3.411 -17.154 -37.647 1.00 0.00 O ATOM 926 CB ASP A 60 4.809 -19.725 -36.092 1.00 0.00 C ATOM 927 CG ASP A 60 5.135 -21.204 -36.032 1.00 0.00 C ATOM 928 OD1 ASP A 60 4.805 -21.924 -36.997 1.00 0.00 O ATOM 929 OD2 ASP A 60 5.721 -21.642 -35.020 1.00 0.00 O ATOM 0 HA ASP A 60 3.693 -19.644 -37.927 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.612 -19.159 -35.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.902 -19.532 -35.519 1.00 0.00 H new ATOM 934 N ILE A 61 5.648 -17.033 -37.426 1.00 0.00 N ATOM 935 CA ILE A 61 5.679 -15.576 -37.424 1.00 0.00 C ATOM 936 C ILE A 61 4.960 -15.010 -38.645 1.00 0.00 C ATOM 937 O ILE A 61 4.271 -13.995 -38.555 1.00 0.00 O ATOM 938 CB ILE A 61 7.123 -15.044 -37.400 1.00 0.00 C ATOM 939 CG1 ILE A 61 7.833 -15.490 -36.121 1.00 0.00 C ATOM 940 CG2 ILE A 61 7.131 -13.527 -37.516 1.00 0.00 C ATOM 941 CD1 ILE A 61 9.273 -15.034 -36.038 1.00 0.00 C ATOM 0 H ILE A 61 6.563 -17.475 -37.335 1.00 0.00 H new ATOM 0 HA ILE A 61 5.166 -15.250 -36.519 1.00 0.00 H new ATOM 0 HB ILE A 61 7.661 -15.457 -38.254 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.288 -15.104 -35.259 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.801 -16.578 -36.058 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.159 -13.166 -37.498 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.659 -13.231 -38.453 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.580 -13.095 -36.681 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.713 -15.386 -35.105 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.833 -15.441 -36.880 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.312 -13.945 -36.069 1.00 0.00 H new ATOM 953 N GLN A 62 5.126 -15.675 -39.783 1.00 0.00 N ATOM 954 CA GLN A 62 4.492 -15.238 -41.022 1.00 0.00 C ATOM 955 C GLN A 62 2.975 -15.193 -40.870 1.00 0.00 C ATOM 956 O GLN A 62 2.291 -14.454 -41.578 1.00 0.00 O ATOM 957 CB GLN A 62 4.874 -16.171 -42.172 1.00 0.00 C ATOM 958 CG GLN A 62 6.321 -16.029 -42.616 1.00 0.00 C ATOM 959 CD GLN A 62 6.531 -14.856 -43.553 1.00 0.00 C ATOM 960 OE1 GLN A 62 5.604 -14.418 -44.236 1.00 0.00 O ATOM 961 NE2 GLN A 62 7.754 -14.340 -43.592 1.00 0.00 N ATOM 0 H GLN A 62 5.693 -16.518 -39.874 1.00 0.00 H new ATOM 0 HA GLN A 62 4.847 -14.232 -41.247 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.696 -17.202 -41.867 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.221 -15.973 -43.022 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.956 -15.907 -41.739 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.637 -16.947 -43.112 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.493 -14.734 -43.009 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.955 -13.550 -44.205 1.00 0.00 H new ATOM 970 N LYS A 63 2.454 -15.990 -39.943 1.00 0.00 N ATOM 971 CA LYS A 63 1.018 -16.041 -39.696 1.00 0.00 C ATOM 972 C LYS A 63 0.608 -15.007 -38.653 1.00 0.00 C ATOM 973 O LYS A 63 -0.526 -15.012 -38.172 1.00 0.00 O ATOM 974 CB LYS A 63 0.609 -17.440 -39.231 1.00 0.00 C ATOM 975 CG LYS A 63 1.369 -18.558 -39.924 1.00 0.00 C ATOM 976 CD LYS A 63 0.573 -19.852 -39.932 1.00 0.00 C ATOM 977 CE LYS A 63 0.265 -20.325 -38.519 1.00 0.00 C ATOM 978 NZ LYS A 63 0.751 -21.712 -38.280 1.00 0.00 N ATOM 0 H LYS A 63 3.006 -16.610 -39.350 1.00 0.00 H new ATOM 0 HA LYS A 63 0.506 -15.811 -40.630 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.767 -17.517 -38.155 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.458 -17.574 -39.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.597 -18.264 -40.948 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.322 -18.719 -39.419 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.358 -19.704 -40.479 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.134 -20.623 -40.461 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.729 -19.649 -37.801 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.811 -20.283 -38.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.522 -21.997 -37.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.290 -22.362 -38.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.781 -21.747 -38.418 1.00 0.00 H new ATOM 992 N PHE A 64 1.535 -14.120 -38.309 1.00 0.00 N ATOM 993 CA PHE A 64 1.270 -13.079 -37.323 1.00 0.00 C ATOM 994 C PHE A 64 1.490 -11.693 -37.922 1.00 0.00 C ATOM 995 O PHE A 64 2.169 -11.528 -38.936 1.00 0.00 O ATOM 996 CB PHE A 64 2.167 -13.266 -36.098 1.00 0.00 C ATOM 997 CG PHE A 64 1.577 -14.171 -35.054 1.00 0.00 C ATOM 998 CD1 PHE A 64 0.341 -13.890 -34.494 1.00 0.00 C ATOM 999 CD2 PHE A 64 2.257 -15.302 -34.634 1.00 0.00 C ATOM 1000 CE1 PHE A 64 -0.204 -14.720 -33.533 1.00 0.00 C ATOM 1001 CE2 PHE A 64 1.716 -16.137 -33.674 1.00 0.00 C ATOM 1002 CZ PHE A 64 0.484 -15.846 -33.123 1.00 0.00 C ATOM 0 H PHE A 64 2.477 -14.101 -38.699 1.00 0.00 H new ATOM 0 HA PHE A 64 0.227 -13.162 -37.017 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.126 -13.672 -36.419 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.366 -12.292 -35.652 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.202 -13.013 -34.812 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.221 -15.534 -35.061 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.167 -14.489 -33.103 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.257 -17.016 -33.355 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.059 -16.497 -32.373 1.00 0.00 H new ATOM 1012 N PRO A 65 0.902 -10.672 -37.281 1.00 0.00 N ATOM 1013 CA PRO A 65 1.019 -9.282 -37.732 1.00 0.00 C ATOM 1014 C PRO A 65 2.425 -8.725 -37.535 1.00 0.00 C ATOM 1015 O PRO A 65 3.139 -9.124 -36.615 1.00 0.00 O ATOM 1016 CB PRO A 65 0.019 -8.536 -36.846 1.00 0.00 C ATOM 1017 CG PRO A 65 -0.094 -9.371 -35.617 1.00 0.00 C ATOM 1018 CD PRO A 65 0.078 -10.795 -36.067 1.00 0.00 C ATOM 0 HA PRO A 65 0.821 -9.182 -38.799 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.371 -7.531 -36.611 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.946 -8.428 -37.342 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.669 -9.097 -34.888 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.061 -9.228 -35.136 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.571 -11.400 -35.306 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.881 -11.268 -36.278 1.00 0.00 H new ATOM 1026 N LYS A 66 2.816 -7.799 -38.404 1.00 0.00 N ATOM 1027 CA LYS A 66 4.136 -7.185 -38.325 1.00 0.00 C ATOM 1028 C LYS A 66 4.236 -6.263 -37.114 1.00 0.00 C ATOM 1029 O LYS A 66 5.306 -5.733 -36.811 1.00 0.00 O ATOM 1030 CB LYS A 66 4.432 -6.398 -39.604 1.00 0.00 C ATOM 1031 CG LYS A 66 4.947 -7.260 -40.744 1.00 0.00 C ATOM 1032 CD LYS A 66 3.810 -7.778 -41.609 1.00 0.00 C ATOM 1033 CE LYS A 66 3.843 -9.294 -41.724 1.00 0.00 C ATOM 1034 NZ LYS A 66 2.482 -9.865 -41.920 1.00 0.00 N ATOM 0 H LYS A 66 2.237 -7.457 -39.171 1.00 0.00 H new ATOM 0 HA LYS A 66 4.873 -7.980 -38.216 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.523 -5.890 -39.926 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.168 -5.625 -39.383 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.637 -6.680 -41.357 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.510 -8.101 -40.340 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.856 -7.465 -41.184 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.877 -7.335 -42.603 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.481 -9.581 -42.560 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.288 -9.717 -40.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.547 -10.900 -41.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.880 -9.613 -41.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.067 -9.481 -42.793 1.00 0.00 H new ATOM 1048 N LEU A 67 3.116 -6.078 -36.424 1.00 0.00 N ATOM 1049 CA LEU A 67 3.078 -5.221 -35.244 1.00 0.00 C ATOM 1050 C LEU A 67 3.253 -6.041 -33.970 1.00 0.00 C ATOM 1051 O LEU A 67 3.555 -5.498 -32.907 1.00 0.00 O ATOM 1052 CB LEU A 67 1.757 -4.451 -35.191 1.00 0.00 C ATOM 1053 CG LEU A 67 1.864 -2.955 -34.894 1.00 0.00 C ATOM 1054 CD1 LEU A 67 1.986 -2.162 -36.186 1.00 0.00 C ATOM 1055 CD2 LEU A 67 0.662 -2.484 -34.088 1.00 0.00 C ATOM 0 H LEU A 67 2.223 -6.510 -36.661 1.00 0.00 H new ATOM 0 HA LEU A 67 3.903 -4.512 -35.314 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.248 -4.576 -36.147 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.124 -4.908 -34.431 1.00 0.00 H new ATOM 0 HG LEU A 67 2.763 -2.785 -34.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.061 -1.099 -35.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.878 -2.480 -36.725 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.106 -2.337 -36.805 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.755 -1.417 -33.886 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.251 -2.668 -34.655 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.620 -3.030 -33.145 1.00 0.00 H new ATOM 1067 N ARG A 68 3.064 -7.352 -34.085 1.00 0.00 N ATOM 1068 CA ARG A 68 3.202 -8.247 -32.942 1.00 0.00 C ATOM 1069 C ARG A 68 4.233 -9.335 -33.226 1.00 0.00 C ATOM 1070 O ARG A 68 4.573 -10.128 -32.347 1.00 0.00 O ATOM 1071 CB ARG A 68 1.854 -8.884 -32.600 1.00 0.00 C ATOM 1072 CG ARG A 68 0.694 -7.902 -32.621 1.00 0.00 C ATOM 1073 CD ARG A 68 0.837 -6.848 -31.534 1.00 0.00 C ATOM 1074 NE ARG A 68 -0.075 -5.725 -31.737 1.00 0.00 N ATOM 1075 CZ ARG A 68 -1.357 -5.747 -31.390 1.00 0.00 C ATOM 1076 NH1 ARG A 68 -1.876 -6.829 -30.825 1.00 0.00 N ATOM 1077 NH2 ARG A 68 -2.123 -4.686 -31.607 1.00 0.00 N ATOM 0 H ARG A 68 2.815 -7.818 -34.958 1.00 0.00 H new ATOM 0 HA ARG A 68 3.544 -7.659 -32.091 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.651 -9.688 -33.308 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.917 -9.338 -31.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.644 -7.417 -33.596 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.243 -8.441 -32.485 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.643 -7.301 -30.562 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.864 -6.483 -31.516 1.00 0.00 H new ATOM 0 HE ARG A 68 0.293 -4.877 -32.169 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.290 -7.647 -30.656 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.861 -6.843 -30.560 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.728 -3.852 -32.041 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.107 -4.704 -31.340 1.00 0.00 H new ATOM 1091 N VAL A 69 4.727 -9.368 -34.460 1.00 0.00 N ATOM 1092 CA VAL A 69 5.720 -10.359 -34.859 1.00 0.00 C ATOM 1093 C VAL A 69 6.876 -10.410 -33.867 1.00 0.00 C ATOM 1094 O VAL A 69 7.193 -11.454 -33.298 1.00 0.00 O ATOM 1095 CB VAL A 69 6.276 -10.060 -36.264 1.00 0.00 C ATOM 1096 CG1 VAL A 69 7.714 -10.541 -36.383 1.00 0.00 C ATOM 1097 CG2 VAL A 69 5.401 -10.702 -37.331 1.00 0.00 C ATOM 0 H VAL A 69 4.456 -8.720 -35.200 1.00 0.00 H new ATOM 0 HA VAL A 69 5.216 -11.325 -34.873 1.00 0.00 H new ATOM 0 HB VAL A 69 6.265 -8.981 -36.418 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.090 -10.321 -37.382 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.331 -10.031 -35.643 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.754 -11.616 -36.209 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.809 -10.481 -38.317 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.378 -11.781 -37.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.389 -10.304 -37.259 1.00 0.00 H new ATOM 1107 N PRO A 70 7.523 -9.254 -33.653 1.00 0.00 N ATOM 1108 CA PRO A 70 8.654 -9.140 -32.727 1.00 0.00 C ATOM 1109 C PRO A 70 8.228 -9.286 -31.270 1.00 0.00 C ATOM 1110 O PRO A 70 9.005 -9.740 -30.430 1.00 0.00 O ATOM 1111 CB PRO A 70 9.187 -7.729 -32.990 1.00 0.00 C ATOM 1112 CG PRO A 70 8.016 -6.975 -33.519 1.00 0.00 C ATOM 1113 CD PRO A 70 7.199 -7.970 -34.296 1.00 0.00 C ATOM 0 HA PRO A 70 9.392 -9.926 -32.887 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.571 -7.274 -32.077 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.007 -7.743 -33.708 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.433 -6.540 -32.707 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.338 -6.152 -34.157 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.133 -7.749 -34.237 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.466 -7.971 -35.353 1.00 0.00 H new ATOM 1121 N ILE A 71 6.991 -8.898 -30.979 1.00 0.00 N ATOM 1122 CA ILE A 71 6.463 -8.987 -29.623 1.00 0.00 C ATOM 1123 C ILE A 71 6.264 -10.440 -29.206 1.00 0.00 C ATOM 1124 O ILE A 71 6.598 -10.827 -28.085 1.00 0.00 O ATOM 1125 CB ILE A 71 5.123 -8.239 -29.491 1.00 0.00 C ATOM 1126 CG1 ILE A 71 5.357 -6.727 -29.496 1.00 0.00 C ATOM 1127 CG2 ILE A 71 4.402 -8.665 -28.220 1.00 0.00 C ATOM 1128 CD1 ILE A 71 5.670 -6.169 -30.867 1.00 0.00 C ATOM 0 H ILE A 71 6.336 -8.519 -31.663 1.00 0.00 H new ATOM 0 HA ILE A 71 7.197 -8.520 -28.966 1.00 0.00 H new ATOM 0 HB ILE A 71 4.495 -8.494 -30.344 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.470 -6.229 -29.104 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.180 -6.492 -28.821 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.457 -8.128 -28.140 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.209 -9.737 -28.253 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.024 -8.435 -27.355 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.824 -5.092 -30.795 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.574 -6.640 -31.254 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.838 -6.372 -31.541 1.00 0.00 H new ATOM 1140 N LEU A 72 5.720 -11.242 -30.115 1.00 0.00 N ATOM 1141 CA LEU A 72 5.478 -12.655 -29.842 1.00 0.00 C ATOM 1142 C LEU A 72 6.791 -13.426 -29.757 1.00 0.00 C ATOM 1143 O LEU A 72 6.957 -14.297 -28.903 1.00 0.00 O ATOM 1144 CB LEU A 72 4.588 -13.259 -30.930 1.00 0.00 C ATOM 1145 CG LEU A 72 3.170 -12.697 -31.026 1.00 0.00 C ATOM 1146 CD1 LEU A 72 2.365 -13.454 -32.071 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.479 -12.758 -29.671 1.00 0.00 C ATOM 0 H LEU A 72 5.438 -10.938 -31.047 1.00 0.00 H new ATOM 0 HA LEU A 72 4.970 -12.732 -28.881 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.079 -13.118 -31.893 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.521 -14.334 -30.761 1.00 0.00 H new ATOM 0 HG LEU A 72 3.234 -11.653 -31.333 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.358 -13.040 -32.125 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.849 -13.359 -33.043 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.310 -14.507 -31.795 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.471 -12.354 -29.758 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.427 -13.794 -29.335 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.044 -12.170 -28.948 1.00 0.00 H new ATOM 1159 N SER A 73 7.723 -13.098 -30.646 1.00 0.00 N ATOM 1160 CA SER A 73 9.022 -13.760 -30.672 1.00 0.00 C ATOM 1161 C SER A 73 9.793 -13.496 -29.383 1.00 0.00 C ATOM 1162 O SER A 73 10.551 -14.345 -28.913 1.00 0.00 O ATOM 1163 CB SER A 73 9.838 -13.282 -31.875 1.00 0.00 C ATOM 1164 OG SER A 73 10.071 -14.342 -32.787 1.00 0.00 O ATOM 0 H SER A 73 7.603 -12.378 -31.358 1.00 0.00 H new ATOM 0 HA SER A 73 8.853 -14.833 -30.760 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.309 -12.474 -32.380 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.790 -12.875 -31.534 1.00 0.00 H new ATOM 0 HG SER A 73 10.593 -14.011 -33.547 1.00 0.00 H new ATOM 1170 N LYS A 74 9.593 -12.312 -28.814 1.00 0.00 N ATOM 1171 CA LYS A 74 10.268 -11.933 -27.578 1.00 0.00 C ATOM 1172 C LYS A 74 9.544 -12.509 -26.365 1.00 0.00 C ATOM 1173 O LYS A 74 10.175 -12.912 -25.386 1.00 0.00 O ATOM 1174 CB LYS A 74 10.346 -10.409 -27.462 1.00 0.00 C ATOM 1175 CG LYS A 74 10.867 -9.927 -26.119 1.00 0.00 C ATOM 1176 CD LYS A 74 10.826 -8.411 -26.016 1.00 0.00 C ATOM 1177 CE LYS A 74 12.223 -7.824 -25.882 1.00 0.00 C ATOM 1178 NZ LYS A 74 12.206 -6.336 -25.942 1.00 0.00 N ATOM 0 H LYS A 74 8.969 -11.598 -29.189 1.00 0.00 H new ATOM 0 HA LYS A 74 11.278 -12.341 -27.605 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.992 -10.026 -28.252 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.354 -9.989 -27.629 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.270 -10.363 -25.318 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.891 -10.275 -25.979 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.340 -7.998 -26.900 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.224 -8.120 -25.156 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.663 -8.145 -24.938 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.858 -8.213 -26.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.176 -5.974 -25.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.810 -6.030 -26.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.620 -5.964 -25.167 1.00 0.00 H new ATOM 1192 N LEU A 75 8.218 -12.547 -26.435 1.00 0.00 N ATOM 1193 CA LEU A 75 7.409 -13.075 -25.343 1.00 0.00 C ATOM 1194 C LEU A 75 7.549 -14.591 -25.245 1.00 0.00 C ATOM 1195 O LEU A 75 7.725 -15.139 -24.157 1.00 0.00 O ATOM 1196 CB LEU A 75 5.939 -12.700 -25.543 1.00 0.00 C ATOM 1197 CG LEU A 75 5.070 -12.699 -24.286 1.00 0.00 C ATOM 1198 CD1 LEU A 75 3.922 -11.712 -24.431 1.00 0.00 C ATOM 1199 CD2 LEU A 75 4.540 -14.097 -24.001 1.00 0.00 C ATOM 0 H LEU A 75 7.680 -12.218 -27.237 1.00 0.00 H new ATOM 0 HA LEU A 75 7.767 -12.634 -24.413 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.896 -11.707 -25.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.502 -13.393 -26.262 1.00 0.00 H new ATOM 0 HG LEU A 75 5.687 -12.387 -23.443 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.314 -11.725 -23.526 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.321 -10.710 -24.585 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.307 -11.993 -25.286 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.924 -14.076 -23.102 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.940 -14.438 -24.845 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.376 -14.780 -23.851 1.00 0.00 H new ATOM 1211 N SER A 76 7.473 -15.262 -26.390 1.00 0.00 N ATOM 1212 CA SER A 76 7.590 -16.715 -26.433 1.00 0.00 C ATOM 1213 C SER A 76 8.846 -17.181 -25.702 1.00 0.00 C ATOM 1214 O SER A 76 8.842 -18.218 -25.039 1.00 0.00 O ATOM 1215 CB SER A 76 7.620 -17.203 -27.883 1.00 0.00 C ATOM 1216 OG SER A 76 8.590 -18.220 -28.059 1.00 0.00 O ATOM 0 H SER A 76 7.331 -14.823 -27.300 1.00 0.00 H new ATOM 0 HA SER A 76 6.720 -17.140 -25.932 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.637 -17.582 -28.163 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.841 -16.367 -28.547 1.00 0.00 H new ATOM 0 HG SER A 76 8.588 -18.516 -28.993 1.00 0.00 H new ATOM 1222 N GLN A 77 9.919 -16.407 -25.830 1.00 0.00 N ATOM 1223 CA GLN A 77 11.182 -16.740 -25.182 1.00 0.00 C ATOM 1224 C GLN A 77 11.102 -16.502 -23.678 1.00 0.00 C ATOM 1225 O GLN A 77 11.649 -17.271 -22.889 1.00 0.00 O ATOM 1226 CB GLN A 77 12.320 -15.912 -25.782 1.00 0.00 C ATOM 1227 CG GLN A 77 13.019 -16.593 -26.948 1.00 0.00 C ATOM 1228 CD GLN A 77 14.399 -16.026 -27.213 1.00 0.00 C ATOM 1229 OE1 GLN A 77 15.372 -16.768 -27.352 1.00 0.00 O ATOM 1230 NE2 GLN A 77 14.492 -14.703 -27.285 1.00 0.00 N ATOM 0 H GLN A 77 9.939 -15.546 -26.376 1.00 0.00 H new ATOM 0 HA GLN A 77 11.382 -17.798 -25.353 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.923 -14.953 -26.117 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.053 -15.699 -25.004 1.00 0.00 H new ATOM 0 HG2 GLN A 77 13.102 -17.660 -26.743 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.408 -16.487 -27.845 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.660 -14.126 -27.164 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.396 -14.264 -27.462 1.00 0.00 H new ATOM 1239 N GLU A 78 10.417 -15.431 -23.289 1.00 0.00 N ATOM 1240 CA GLU A 78 10.267 -15.092 -21.879 1.00 0.00 C ATOM 1241 C GLU A 78 9.662 -16.257 -21.100 1.00 0.00 C ATOM 1242 O GLU A 78 10.046 -16.522 -19.961 1.00 0.00 O ATOM 1243 CB GLU A 78 9.390 -13.849 -21.720 1.00 0.00 C ATOM 1244 CG GLU A 78 10.180 -12.571 -21.493 1.00 0.00 C ATOM 1245 CD GLU A 78 10.267 -12.192 -20.027 1.00 0.00 C ATOM 1246 OE1 GLU A 78 10.595 -13.074 -19.206 1.00 0.00 O ATOM 1247 OE2 GLU A 78 10.006 -11.015 -19.701 1.00 0.00 O ATOM 0 H GLU A 78 9.958 -14.784 -23.930 1.00 0.00 H new ATOM 0 HA GLU A 78 11.258 -14.883 -21.476 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.775 -13.732 -22.612 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.710 -13.999 -20.882 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.186 -12.694 -21.893 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.714 -11.757 -22.048 1.00 0.00 H new