USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot 170:sc= 0.931 USER MOD Set 1.2: A 48 TYR OH : rot -150:sc= 0.47 USER MOD Set 2.1: A 34 THR OG1 : rot 104:sc= 0.0114 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= -0.104 USER MOD Set 3.2: A 30 HIS : no HD1:sc= -2.11! C(o=-2.2!,f=-2.5!) USER MOD Single : A 17 ASN : amide:sc= -0.739 K(o=-0.74,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -54:sc= 0.538 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.701 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.906 USER MOD Single : A 36 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.033) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc=-0.000605 K(o=-0.00061,f=-1.5) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 158:sc= -0.304 (180deg=-0.903) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -2.16 (180deg=-3.16!) USER MOD Single : A 79 GLN : amide:sc= -6.69! C(o=-6.7!,f=-18!) USER MOD Single : A 80 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.2!) USER MOD Single : A 81 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.012) USER MOD Single : A 82 TYR OH : rot 165:sc= -0.622 USER MOD Single : A 85 HIS :FLIP no HE2:sc= -0.894 F(o=-1.7,f=-0.89) USER MOD Single : A 88 GLN : amide:sc= -0.062 X(o=-0.062,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 91 THR OG1 : rot -170:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00249 USER MOD Single : A 98 LYS NZ :NH3+ 134:sc= 0.0394 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.39 K(o=-1.4,f=-14!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.55 K(o=-0.55,f=-2.8!) USER MOD Single : A 108 SER OG : rot -112:sc= 1.09 USER MOD Single : A 111 THR OG1 : rot -130:sc= -0.0126 USER MOD Single : A 114 LYS NZ :NH3+ 159:sc= -1.41 (180deg=-1.75) USER MOD Single : A 115 THR OG1 : rot -174:sc= 0.696 USER MOD Single : A 116 ASN : amide:sc= -1.88! K(o=-1.9!,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.267 -15.978 -6.273 1.00 0.00 N ATOM 174 CA ALA A 15 -4.187 -14.545 -6.016 1.00 0.00 C ATOM 175 C ALA A 15 -3.515 -14.264 -4.676 1.00 0.00 C ATOM 176 O ALA A 15 -3.700 -14.987 -3.698 1.00 0.00 O ATOM 177 CB ALA A 15 -5.576 -13.924 -6.052 1.00 0.00 C ATOM 0 HA ALA A 15 -3.578 -14.094 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.501 -12.854 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.021 -14.085 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.202 -14.388 -5.289 1.00 0.00 H new ATOM 183 N PRO A 16 -2.715 -13.188 -4.629 1.00 0.00 N ATOM 184 CA PRO A 16 -1.999 -12.787 -3.415 1.00 0.00 C ATOM 185 C PRO A 16 -2.938 -12.258 -2.336 1.00 0.00 C ATOM 186 O PRO A 16 -3.821 -11.447 -2.612 1.00 0.00 O ATOM 187 CB PRO A 16 -1.066 -11.676 -3.904 1.00 0.00 C ATOM 188 CG PRO A 16 -1.737 -11.123 -5.114 1.00 0.00 C ATOM 189 CD PRO A 16 -2.449 -12.280 -5.758 1.00 0.00 C ATOM 0 HA PRO A 16 -1.479 -13.626 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.930 -10.909 -3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.077 -12.066 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.439 -10.334 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.010 -10.683 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.371 -11.963 -6.245 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.833 -12.757 -6.521 1.00 0.00 H new ATOM 197 N ASN A 17 -2.740 -12.722 -1.107 1.00 0.00 N ATOM 198 CA ASN A 17 -3.570 -12.294 0.014 1.00 0.00 C ATOM 199 C ASN A 17 -3.582 -10.773 0.133 1.00 0.00 C ATOM 200 O ASN A 17 -2.562 -10.105 -0.035 1.00 0.00 O ATOM 201 CB ASN A 17 -3.063 -12.915 1.317 1.00 0.00 C ATOM 202 CG ASN A 17 -1.671 -12.436 1.683 1.00 0.00 C ATOM 203 OD1 ASN A 17 -0.836 -12.197 0.811 1.00 0.00 O ATOM 204 ND2 ASN A 17 -1.416 -12.293 2.978 1.00 0.00 N ATOM 0 H ASN A 17 -2.013 -13.394 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.589 -12.634 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.752 -12.671 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.057 -14.001 1.221 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.497 -11.973 3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.139 -12.503 3.666 1.00 0.00 H new ATOM 211 N PRO A 18 -4.763 -10.212 0.431 1.00 0.00 N ATOM 212 CA PRO A 18 -4.937 -8.765 0.581 1.00 0.00 C ATOM 213 C PRO A 18 -4.254 -8.225 1.833 1.00 0.00 C ATOM 214 O PRO A 18 -4.461 -8.717 2.942 1.00 0.00 O ATOM 215 CB PRO A 18 -6.455 -8.598 0.685 1.00 0.00 C ATOM 216 CG PRO A 18 -6.944 -9.904 1.209 1.00 0.00 C ATOM 217 CD PRO A 18 -6.021 -10.948 0.645 1.00 0.00 C ATOM 0 HA PRO A 18 -4.490 -8.214 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.718 -7.779 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.896 -8.371 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.929 -9.918 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.974 -10.087 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.887 -11.781 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.406 -11.364 -0.286 1.00 0.00 H new ATOM 225 N PRO A 19 -3.422 -7.189 1.655 1.00 0.00 N ATOM 226 CA PRO A 19 -2.693 -6.560 2.760 1.00 0.00 C ATOM 227 C PRO A 19 -3.614 -5.784 3.695 1.00 0.00 C ATOM 228 O PRO A 19 -4.730 -5.422 3.322 1.00 0.00 O ATOM 229 CB PRO A 19 -1.726 -5.608 2.051 1.00 0.00 C ATOM 230 CG PRO A 19 -2.381 -5.305 0.747 1.00 0.00 C ATOM 231 CD PRO A 19 -3.128 -6.551 0.360 1.00 0.00 C ATOM 0 HA PRO A 19 -2.200 -7.297 3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.565 -4.701 2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.750 -6.071 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.059 -4.456 0.839 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.642 -5.042 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.040 -6.318 -0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.527 -7.198 -0.279 1.00 0.00 H new ATOM 239 N SER A 20 -3.140 -5.533 4.911 1.00 0.00 N ATOM 240 CA SER A 20 -3.923 -4.803 5.901 1.00 0.00 C ATOM 241 C SER A 20 -3.283 -3.454 6.213 1.00 0.00 C ATOM 242 O SER A 20 -2.316 -3.374 6.971 1.00 0.00 O ATOM 243 CB SER A 20 -4.057 -5.625 7.184 1.00 0.00 C ATOM 244 OG SER A 20 -5.158 -6.515 7.108 1.00 0.00 O ATOM 0 H SER A 20 -2.218 -5.824 5.234 1.00 0.00 H new ATOM 0 HA SER A 20 -4.915 -4.628 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.140 -6.189 7.355 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.184 -4.957 8.036 1.00 0.00 H new ATOM 0 HG SER A 20 -5.221 -7.030 7.940 1.00 0.00 H new ATOM 250 N ILE A 21 -3.830 -2.396 5.622 1.00 0.00 N ATOM 251 CA ILE A 21 -3.314 -1.050 5.837 1.00 0.00 C ATOM 252 C ILE A 21 -3.624 -0.561 7.248 1.00 0.00 C ATOM 253 O ILE A 21 -4.756 -0.183 7.549 1.00 0.00 O ATOM 254 CB ILE A 21 -3.900 -0.053 4.820 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.432 -0.401 3.405 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.499 1.369 5.181 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.090 0.433 2.329 1.00 0.00 C ATOM 0 H ILE A 21 -4.630 -2.446 4.991 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.234 -1.101 5.702 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.987 -0.122 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.352 -0.269 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.636 -1.454 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.921 2.062 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.876 1.612 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.412 1.453 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.711 0.132 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.169 0.283 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.865 1.486 2.497 1.00 0.00 H new ATOM 269 N ARG A 22 -2.611 -0.570 8.107 1.00 0.00 N ATOM 270 CA ARG A 22 -2.776 -0.126 9.487 1.00 0.00 C ATOM 271 C ARG A 22 -2.831 1.397 9.565 1.00 0.00 C ATOM 272 O ARG A 22 -1.927 2.085 9.093 1.00 0.00 O ATOM 273 CB ARG A 22 -1.629 -0.651 10.354 1.00 0.00 C ATOM 274 CG ARG A 22 -1.554 -2.168 10.411 1.00 0.00 C ATOM 275 CD ARG A 22 -2.869 -2.774 10.875 1.00 0.00 C ATOM 276 NE ARG A 22 -3.871 -2.786 9.813 1.00 0.00 N ATOM 277 CZ ARG A 22 -5.139 -3.136 10.002 1.00 0.00 C ATOM 278 NH1 ARG A 22 -5.557 -3.499 11.207 1.00 0.00 N ATOM 279 NH2 ARG A 22 -5.991 -3.121 8.985 1.00 0.00 N ATOM 0 H ARG A 22 -1.668 -0.879 7.873 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.718 -0.526 9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.686 -0.263 9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.743 -0.263 11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.300 -2.558 9.425 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.755 -2.469 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.696 -3.793 11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.249 -2.208 11.725 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.582 -2.511 8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.905 -3.510 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.531 -3.767 11.350 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.673 -2.841 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.964 -3.390 9.131 1.00 0.00 H new ATOM 293 N GLU A 23 -3.899 1.915 10.164 1.00 0.00 N ATOM 294 CA GLU A 23 -4.072 3.356 10.302 1.00 0.00 C ATOM 295 C GLU A 23 -3.407 3.864 11.579 1.00 0.00 C ATOM 296 O GLU A 23 -3.064 5.041 11.686 1.00 0.00 O ATOM 297 CB GLU A 23 -5.559 3.715 10.311 1.00 0.00 C ATOM 298 CG GLU A 23 -6.253 3.466 8.982 1.00 0.00 C ATOM 299 CD GLU A 23 -7.665 4.017 8.949 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.862 5.170 9.388 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.573 3.297 8.485 1.00 0.00 O ATOM 0 H GLU A 23 -4.656 1.359 10.561 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.595 3.837 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.059 3.136 11.087 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.669 4.766 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.670 3.922 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.281 2.394 8.786 1.00 0.00 H new ATOM 308 N GLU A 24 -3.230 2.967 12.544 1.00 0.00 N ATOM 309 CA GLU A 24 -2.609 3.324 13.814 1.00 0.00 C ATOM 310 C GLU A 24 -1.093 3.422 13.669 1.00 0.00 C ATOM 311 O GLU A 24 -0.430 4.136 14.423 1.00 0.00 O ATOM 312 CB GLU A 24 -2.964 2.295 14.888 1.00 0.00 C ATOM 313 CG GLU A 24 -2.376 0.918 14.630 1.00 0.00 C ATOM 314 CD GLU A 24 -2.198 0.111 15.902 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.158 -0.574 16.310 1.00 0.00 O ATOM 316 OE2 GLU A 24 -1.097 0.167 16.489 1.00 0.00 O ATOM 0 H GLU A 24 -3.508 1.988 12.470 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.992 4.299 14.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.613 2.655 15.855 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.049 2.211 14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.026 0.372 13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.411 1.026 14.135 1.00 0.00 H new ATOM 323 N LEU A 25 -0.550 2.700 12.695 1.00 0.00 N ATOM 324 CA LEU A 25 0.888 2.704 12.450 1.00 0.00 C ATOM 325 C LEU A 25 1.264 3.772 11.428 1.00 0.00 C ATOM 326 O LEU A 25 2.372 4.309 11.455 1.00 0.00 O ATOM 327 CB LEU A 25 1.346 1.330 11.960 1.00 0.00 C ATOM 328 CG LEU A 25 0.967 0.141 12.844 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.452 -1.161 12.225 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.538 0.314 14.244 1.00 0.00 C ATOM 0 H LEU A 25 -1.084 2.104 12.062 1.00 0.00 H new ATOM 0 HA LEU A 25 1.390 2.934 13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.931 1.164 10.966 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.431 1.347 11.854 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.120 0.100 12.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.173 -1.996 12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.995 -1.290 11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.536 -1.132 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.258 -0.541 14.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.624 0.381 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.141 1.226 14.689 1.00 0.00 H new ATOM 342 N CYS A 26 0.333 4.077 10.530 1.00 0.00 N ATOM 343 CA CYS A 26 0.566 5.083 9.499 1.00 0.00 C ATOM 344 C CYS A 26 0.733 6.467 10.118 1.00 0.00 C ATOM 345 O CYS A 26 0.102 6.790 11.125 1.00 0.00 O ATOM 346 CB CYS A 26 -0.591 5.094 8.499 1.00 0.00 C ATOM 347 SG CYS A 26 -2.028 6.048 9.043 1.00 0.00 S ATOM 0 H CYS A 26 -0.589 3.643 10.495 1.00 0.00 H new ATOM 0 HA CYS A 26 1.487 4.826 8.976 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.235 5.501 7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.901 4.067 8.308 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.410 5.628 10.212 1.00 0.00 H new ATOM 353 N THR A 27 1.590 7.282 9.510 1.00 0.00 N ATOM 354 CA THR A 27 1.843 8.630 10.002 1.00 0.00 C ATOM 355 C THR A 27 1.529 9.672 8.936 1.00 0.00 C ATOM 356 O THR A 27 1.538 9.375 7.742 1.00 0.00 O ATOM 357 CB THR A 27 3.306 8.798 10.453 1.00 0.00 C ATOM 358 OG1 THR A 27 4.188 8.571 9.348 1.00 0.00 O ATOM 359 CG2 THR A 27 3.639 7.833 11.581 1.00 0.00 C ATOM 0 H THR A 27 2.120 7.031 8.676 1.00 0.00 H new ATOM 0 HA THR A 27 1.187 8.782 10.859 1.00 0.00 H new ATOM 0 HB THR A 27 3.436 9.817 10.818 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.116 8.681 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.677 7.970 11.883 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.985 8.028 12.431 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.493 6.809 11.238 1.00 0.00 H new ATOM 367 N ALA A 28 1.252 10.896 9.374 1.00 0.00 N ATOM 368 CA ALA A 28 0.937 11.984 8.456 1.00 0.00 C ATOM 369 C ALA A 28 1.836 13.190 8.707 1.00 0.00 C ATOM 370 O ALA A 28 1.927 13.686 9.830 1.00 0.00 O ATOM 371 CB ALA A 28 -0.527 12.377 8.586 1.00 0.00 C ATOM 0 H ALA A 28 1.239 11.159 10.359 1.00 0.00 H new ATOM 0 HA ALA A 28 1.118 11.634 7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.748 13.190 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.156 11.519 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.727 12.704 9.607 1.00 0.00 H new ATOM 377 N SER A 29 2.498 13.658 7.653 1.00 0.00 N ATOM 378 CA SER A 29 3.394 14.804 7.761 1.00 0.00 C ATOM 379 C SER A 29 2.968 15.916 6.808 1.00 0.00 C ATOM 380 O SER A 29 2.151 15.703 5.911 1.00 0.00 O ATOM 381 CB SER A 29 4.834 14.383 7.460 1.00 0.00 C ATOM 382 OG SER A 29 5.760 15.273 8.058 1.00 0.00 O ATOM 0 H SER A 29 2.431 13.262 6.716 1.00 0.00 H new ATOM 0 HA SER A 29 3.340 15.182 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.006 13.372 7.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.992 14.359 6.382 1.00 0.00 H new ATOM 0 HG SER A 29 6.673 14.982 7.852 1.00 0.00 H new ATOM 388 N HIS A 30 3.527 17.105 7.009 1.00 0.00 N ATOM 389 CA HIS A 30 3.207 18.253 6.167 1.00 0.00 C ATOM 390 C HIS A 30 2.955 17.818 4.727 1.00 0.00 C ATOM 391 O HIS A 30 1.814 17.801 4.264 1.00 0.00 O ATOM 392 CB HIS A 30 4.341 19.277 6.212 1.00 0.00 C ATOM 393 CG HIS A 30 5.697 18.663 6.376 1.00 0.00 C ATOM 394 ND1 HIS A 30 6.173 18.201 7.585 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.680 18.433 5.474 1.00 0.00 C ATOM 396 CE1 HIS A 30 7.391 17.716 7.420 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.721 17.844 6.148 1.00 0.00 N ATOM 0 H HIS A 30 4.204 17.299 7.747 1.00 0.00 H new ATOM 0 HA HIS A 30 2.297 18.713 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.326 19.864 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 30 4.162 19.969 7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.651 18.669 4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.011 17.288 8.194 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.606 17.552 5.733 1.00 0.00 H new ATOM 406 N ASP A 31 4.026 17.466 4.024 1.00 0.00 N ATOM 407 CA ASP A 31 3.921 17.030 2.637 1.00 0.00 C ATOM 408 C ASP A 31 4.476 15.620 2.467 1.00 0.00 C ATOM 409 O ASP A 31 5.063 15.291 1.435 1.00 0.00 O ATOM 410 CB ASP A 31 4.668 17.999 1.718 1.00 0.00 C ATOM 411 CG ASP A 31 6.139 18.110 2.066 1.00 0.00 C ATOM 412 OD1 ASP A 31 6.753 17.070 2.382 1.00 0.00 O ATOM 413 OD2 ASP A 31 6.676 19.237 2.022 1.00 0.00 O ATOM 0 H ASP A 31 4.977 17.474 4.392 1.00 0.00 H new ATOM 0 HA ASP A 31 2.866 17.021 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.566 17.667 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.207 18.985 1.783 1.00 0.00 H new ATOM 418 N THR A 32 4.287 14.788 3.487 1.00 0.00 N ATOM 419 CA THR A 32 4.769 13.413 3.452 1.00 0.00 C ATOM 420 C THR A 32 3.932 12.513 4.354 1.00 0.00 C ATOM 421 O THR A 32 3.597 12.885 5.479 1.00 0.00 O ATOM 422 CB THR A 32 6.245 13.325 3.885 1.00 0.00 C ATOM 423 OG1 THR A 32 6.560 14.402 4.775 1.00 0.00 O ATOM 424 CG2 THR A 32 7.168 13.373 2.677 1.00 0.00 C ATOM 0 H THR A 32 3.803 15.043 4.348 1.00 0.00 H new ATOM 0 HA THR A 32 4.679 13.073 2.420 1.00 0.00 H new ATOM 0 HB THR A 32 6.393 12.375 4.398 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.499 14.338 5.047 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.204 13.309 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.946 12.535 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.016 14.309 2.140 1.00 0.00 H new ATOM 432 N ILE A 33 3.598 11.329 3.853 1.00 0.00 N ATOM 433 CA ILE A 33 2.801 10.376 4.615 1.00 0.00 C ATOM 434 C ILE A 33 3.420 8.983 4.571 1.00 0.00 C ATOM 435 O ILE A 33 3.840 8.510 3.515 1.00 0.00 O ATOM 436 CB ILE A 33 1.356 10.300 4.087 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.639 11.633 4.309 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.602 9.167 4.767 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.776 11.654 3.774 1.00 0.00 C ATOM 0 H ILE A 33 3.867 11.007 2.923 1.00 0.00 H new ATOM 0 HA ILE A 33 2.784 10.732 5.645 1.00 0.00 H new ATOM 0 HB ILE A 33 1.386 10.098 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.619 11.852 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.211 12.428 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.417 9.126 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.105 8.222 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.578 9.340 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.223 12.629 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.762 11.466 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.364 10.881 4.270 1.00 0.00 H new ATOM 451 N THR A 34 3.471 8.327 5.727 1.00 0.00 N ATOM 452 CA THR A 34 4.037 6.987 5.821 1.00 0.00 C ATOM 453 C THR A 34 2.958 5.954 6.123 1.00 0.00 C ATOM 454 O THR A 34 2.505 5.829 7.261 1.00 0.00 O ATOM 455 CB THR A 34 5.124 6.912 6.911 1.00 0.00 C ATOM 456 OG1 THR A 34 5.960 8.073 6.849 1.00 0.00 O ATOM 457 CG2 THR A 34 5.971 5.660 6.744 1.00 0.00 C ATOM 0 H THR A 34 3.127 8.702 6.611 1.00 0.00 H new ATOM 0 HA THR A 34 4.487 6.765 4.853 1.00 0.00 H new ATOM 0 HB THR A 34 4.632 6.871 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.728 8.683 7.580 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.731 5.628 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.335 4.778 6.821 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.454 5.675 5.767 1.00 0.00 H new ATOM 465 N VAL A 35 2.550 5.214 5.097 1.00 0.00 N ATOM 466 CA VAL A 35 1.524 4.190 5.254 1.00 0.00 C ATOM 467 C VAL A 35 2.142 2.847 5.630 1.00 0.00 C ATOM 468 O VAL A 35 3.165 2.445 5.075 1.00 0.00 O ATOM 469 CB VAL A 35 0.699 4.020 3.965 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.383 2.968 4.158 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.092 5.349 3.542 1.00 0.00 C ATOM 0 H VAL A 35 2.914 5.304 4.149 1.00 0.00 H new ATOM 0 HA VAL A 35 0.865 4.522 6.057 1.00 0.00 H new ATOM 0 HB VAL A 35 1.364 3.681 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.956 2.862 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.079 2.013 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.048 3.274 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.488 5.210 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.560 5.719 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.888 6.071 3.360 1.00 0.00 H new ATOM 481 N HIS A 36 1.513 2.157 6.575 1.00 0.00 N ATOM 482 CA HIS A 36 1.999 0.857 7.025 1.00 0.00 C ATOM 483 C HIS A 36 0.997 -0.244 6.691 1.00 0.00 C ATOM 484 O HIS A 36 -0.182 -0.146 7.029 1.00 0.00 O ATOM 485 CB HIS A 36 2.265 0.882 8.531 1.00 0.00 C ATOM 486 CG HIS A 36 3.406 1.769 8.923 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.431 1.357 9.748 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.681 3.054 8.597 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.286 2.350 9.915 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.854 3.391 9.226 1.00 0.00 N ATOM 0 H HIS A 36 0.665 2.476 7.045 1.00 0.00 H new ATOM 0 HA HIS A 36 2.932 0.645 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.363 1.215 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.470 -0.133 8.872 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.088 3.695 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.185 2.316 10.513 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.317 4.298 9.170 1.00 0.00 H new ATOM 499 N TRP A 37 1.475 -1.289 6.026 1.00 0.00 N ATOM 500 CA TRP A 37 0.620 -2.408 5.646 1.00 0.00 C ATOM 501 C TRP A 37 1.130 -3.712 6.250 1.00 0.00 C ATOM 502 O TRP A 37 2.279 -4.098 6.036 1.00 0.00 O ATOM 503 CB TRP A 37 0.552 -2.530 4.123 1.00 0.00 C ATOM 504 CG TRP A 37 1.899 -2.527 3.465 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.747 -3.589 3.330 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.552 -1.408 2.856 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.889 -3.197 2.673 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.794 -1.865 2.371 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.210 -0.066 2.671 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.690 -1.025 1.715 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.101 0.765 2.021 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.329 0.284 1.548 1.00 0.00 C ATOM 0 H TRP A 37 2.449 -1.385 5.739 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.381 -2.216 6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.031 -3.451 3.863 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.040 -1.705 3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.550 -4.589 3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.679 -3.801 2.447 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.265 0.315 3.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.637 -1.394 1.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.847 1.804 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.003 0.959 1.042 1.00 0.00 H new ATOM 523 N ILE A 38 0.268 -4.386 7.004 1.00 0.00 N ATOM 524 CA ILE A 38 0.632 -5.648 7.637 1.00 0.00 C ATOM 525 C ILE A 38 0.069 -6.834 6.863 1.00 0.00 C ATOM 526 O ILE A 38 -1.089 -6.822 6.444 1.00 0.00 O ATOM 527 CB ILE A 38 0.129 -5.713 9.092 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.632 -6.989 9.771 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.390 -5.649 9.130 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.987 -6.831 10.425 1.00 0.00 C ATOM 0 H ILE A 38 -0.687 -4.080 7.191 1.00 0.00 H new ATOM 0 HA ILE A 38 1.721 -5.700 7.634 1.00 0.00 H new ATOM 0 HB ILE A 38 0.523 -4.855 9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.092 -7.300 10.524 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.685 -7.788 9.031 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.730 -5.696 10.164 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.726 -4.715 8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.804 -6.490 8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.281 -7.774 10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.724 -6.550 9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.934 -6.055 11.188 1.00 0.00 H new ATOM 542 N SER A 39 0.895 -7.859 6.677 1.00 0.00 N ATOM 543 CA SER A 39 0.480 -9.054 5.951 1.00 0.00 C ATOM 544 C SER A 39 0.924 -10.316 6.684 1.00 0.00 C ATOM 545 O SER A 39 1.932 -10.315 7.391 1.00 0.00 O ATOM 546 CB SER A 39 1.058 -9.042 4.535 1.00 0.00 C ATOM 547 OG SER A 39 0.691 -7.860 3.844 1.00 0.00 O ATOM 0 H SER A 39 1.856 -7.886 7.019 1.00 0.00 H new ATOM 0 HA SER A 39 -0.608 -9.054 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.144 -9.117 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.701 -9.914 3.986 1.00 0.00 H new ATOM 0 HG SER A 39 1.199 -7.799 3.008 1.00 0.00 H new ATOM 553 N ASP A 40 0.165 -11.392 6.509 1.00 0.00 N ATOM 554 CA ASP A 40 0.479 -12.663 7.152 1.00 0.00 C ATOM 555 C ASP A 40 1.354 -13.527 6.248 1.00 0.00 C ATOM 556 O ASP A 40 2.263 -14.211 6.718 1.00 0.00 O ATOM 557 CB ASP A 40 -0.806 -13.412 7.506 1.00 0.00 C ATOM 558 CG ASP A 40 -1.561 -12.758 8.647 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.996 -12.666 9.756 1.00 0.00 O ATOM 560 OD2 ASP A 40 -2.718 -12.340 8.430 1.00 0.00 O ATOM 0 H ASP A 40 -0.672 -11.410 5.927 1.00 0.00 H new ATOM 0 HA ASP A 40 1.030 -12.452 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.450 -13.459 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.562 -14.439 7.777 1.00 0.00 H new ATOM 565 N ASP A 41 1.072 -13.491 4.951 1.00 0.00 N ATOM 566 CA ASP A 41 1.832 -14.271 3.981 1.00 0.00 C ATOM 567 C ASP A 41 2.270 -13.400 2.807 1.00 0.00 C ATOM 568 O ASP A 41 1.487 -13.131 1.897 1.00 0.00 O ATOM 569 CB ASP A 41 0.998 -15.449 3.475 1.00 0.00 C ATOM 570 CG ASP A 41 1.004 -16.618 4.440 1.00 0.00 C ATOM 571 OD1 ASP A 41 2.074 -17.237 4.615 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.062 -16.916 5.018 1.00 0.00 O ATOM 0 H ASP A 41 0.322 -12.930 4.546 1.00 0.00 H new ATOM 0 HA ASP A 41 2.723 -14.654 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.029 -15.121 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.384 -15.776 2.510 1.00 0.00 H new ATOM 577 N GLU A 42 3.525 -12.963 2.837 1.00 0.00 N ATOM 578 CA GLU A 42 4.065 -12.121 1.776 1.00 0.00 C ATOM 579 C GLU A 42 5.265 -12.788 1.110 1.00 0.00 C ATOM 580 O GLU A 42 6.077 -12.127 0.462 1.00 0.00 O ATOM 581 CB GLU A 42 4.471 -10.755 2.335 1.00 0.00 C ATOM 582 CG GLU A 42 5.645 -10.817 3.297 1.00 0.00 C ATOM 583 CD GLU A 42 5.717 -9.606 4.207 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.067 -9.627 5.274 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.422 -8.638 3.853 1.00 0.00 O ATOM 0 H GLU A 42 4.186 -13.178 3.583 1.00 0.00 H new ATOM 0 HA GLU A 42 3.286 -11.981 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.725 -10.094 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.616 -10.312 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.566 -11.719 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.572 -10.896 2.729 1.00 0.00 H new ATOM 592 N PHE A 43 5.371 -14.102 1.276 1.00 0.00 N ATOM 593 CA PHE A 43 6.473 -14.860 0.693 1.00 0.00 C ATOM 594 C PHE A 43 6.315 -14.971 -0.821 1.00 0.00 C ATOM 595 O PHE A 43 7.288 -14.861 -1.567 1.00 0.00 O ATOM 596 CB PHE A 43 6.544 -16.256 1.314 1.00 0.00 C ATOM 597 CG PHE A 43 6.984 -16.252 2.750 1.00 0.00 C ATOM 598 CD1 PHE A 43 6.136 -15.796 3.746 1.00 0.00 C ATOM 599 CD2 PHE A 43 8.245 -16.704 3.103 1.00 0.00 C ATOM 600 CE1 PHE A 43 6.537 -15.792 5.069 1.00 0.00 C ATOM 601 CE2 PHE A 43 8.652 -16.702 4.424 1.00 0.00 C ATOM 602 CZ PHE A 43 7.798 -16.244 5.408 1.00 0.00 C ATOM 0 H PHE A 43 4.708 -14.664 1.809 1.00 0.00 H new ATOM 0 HA PHE A 43 7.400 -14.328 0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.563 -16.726 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.233 -16.869 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.150 -15.440 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.918 -17.062 2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.866 -15.436 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 43 9.637 -17.058 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.115 -16.239 6.440 1.00 0.00 H new ATOM 612 N SER A 44 5.083 -15.191 -1.267 1.00 0.00 N ATOM 613 CA SER A 44 4.797 -15.321 -2.691 1.00 0.00 C ATOM 614 C SER A 44 4.911 -13.972 -3.394 1.00 0.00 C ATOM 615 O SER A 44 5.407 -13.886 -4.518 1.00 0.00 O ATOM 616 CB SER A 44 3.397 -15.902 -2.901 1.00 0.00 C ATOM 617 OG SER A 44 3.290 -16.532 -4.166 1.00 0.00 O ATOM 0 H SER A 44 4.266 -15.283 -0.663 1.00 0.00 H new ATOM 0 HA SER A 44 5.533 -15.999 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.177 -16.622 -2.113 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.655 -15.108 -2.823 1.00 0.00 H new ATOM 0 HG SER A 44 2.387 -16.896 -4.275 1.00 0.00 H new ATOM 623 N ILE A 45 4.448 -12.922 -2.724 1.00 0.00 N ATOM 624 CA ILE A 45 4.499 -11.577 -3.284 1.00 0.00 C ATOM 625 C ILE A 45 5.909 -11.226 -3.744 1.00 0.00 C ATOM 626 O ILE A 45 6.829 -11.119 -2.933 1.00 0.00 O ATOM 627 CB ILE A 45 4.027 -10.525 -2.263 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.630 -10.874 -1.746 1.00 0.00 C ATOM 629 CG2 ILE A 45 4.035 -9.139 -2.889 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.126 -9.929 -0.678 1.00 0.00 C ATOM 0 H ILE A 45 4.034 -12.977 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 45 3.827 -11.566 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 45 4.716 -10.525 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.931 -10.870 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.643 -11.888 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.699 -8.406 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.046 -8.892 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.366 -9.124 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.130 -10.238 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.803 -9.950 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.080 -8.917 -1.080 1.00 0.00 H new ATOM 642 N SER A 46 6.072 -11.046 -5.051 1.00 0.00 N ATOM 643 CA SER A 46 7.371 -10.708 -5.620 1.00 0.00 C ATOM 644 C SER A 46 7.707 -9.240 -5.375 1.00 0.00 C ATOM 645 O SER A 46 8.876 -8.860 -5.322 1.00 0.00 O ATOM 646 CB SER A 46 7.386 -11.003 -7.121 1.00 0.00 C ATOM 647 OG SER A 46 8.697 -11.302 -7.570 1.00 0.00 O ATOM 0 H SER A 46 5.320 -11.129 -5.736 1.00 0.00 H new ATOM 0 HA SER A 46 8.126 -11.322 -5.129 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.724 -11.842 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.998 -10.143 -7.668 1.00 0.00 H new ATOM 0 HG SER A 46 8.679 -11.488 -8.532 1.00 0.00 H new ATOM 653 N SER A 47 6.672 -8.420 -5.226 1.00 0.00 N ATOM 654 CA SER A 47 6.855 -6.993 -4.991 1.00 0.00 C ATOM 655 C SER A 47 5.527 -6.323 -4.650 1.00 0.00 C ATOM 656 O SER A 47 4.463 -6.783 -5.066 1.00 0.00 O ATOM 657 CB SER A 47 7.474 -6.327 -6.221 1.00 0.00 C ATOM 658 OG SER A 47 6.748 -6.647 -7.394 1.00 0.00 O ATOM 0 H SER A 47 5.698 -8.720 -5.264 1.00 0.00 H new ATOM 0 HA SER A 47 7.530 -6.874 -4.144 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.490 -5.246 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.509 -6.650 -6.331 1.00 0.00 H new ATOM 0 HG SER A 47 7.163 -6.208 -8.166 1.00 0.00 H new ATOM 664 N TYR A 48 5.598 -5.236 -3.891 1.00 0.00 N ATOM 665 CA TYR A 48 4.402 -4.503 -3.492 1.00 0.00 C ATOM 666 C TYR A 48 4.211 -3.259 -4.354 1.00 0.00 C ATOM 667 O TYR A 48 5.166 -2.739 -4.930 1.00 0.00 O ATOM 668 CB TYR A 48 4.490 -4.106 -2.017 1.00 0.00 C ATOM 669 CG TYR A 48 3.905 -5.136 -1.077 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.529 -5.299 -0.963 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.727 -5.945 -0.303 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.990 -6.237 -0.104 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.196 -6.888 0.557 1.00 0.00 C ATOM 674 CZ TYR A 48 2.827 -7.030 0.653 1.00 0.00 C ATOM 675 OH TYR A 48 2.295 -7.966 1.509 1.00 0.00 O ATOM 0 H TYR A 48 6.471 -4.842 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 48 3.542 -5.157 -3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.535 -3.940 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.971 -3.158 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.870 -4.682 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.799 -5.835 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.919 -6.349 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.849 -7.510 1.151 1.00 0.00 H new ATOM 0 HH TYR A 48 2.898 -8.092 2.272 1.00 0.00 H new ATOM 685 N GLU A 49 2.971 -2.789 -4.437 1.00 0.00 N ATOM 686 CA GLU A 49 2.654 -1.606 -5.229 1.00 0.00 C ATOM 687 C GLU A 49 1.840 -0.607 -4.413 1.00 0.00 C ATOM 688 O GLU A 49 0.843 -0.966 -3.785 1.00 0.00 O ATOM 689 CB GLU A 49 1.881 -2.001 -6.490 1.00 0.00 C ATOM 690 CG GLU A 49 1.763 -0.879 -7.507 1.00 0.00 C ATOM 691 CD GLU A 49 1.323 -1.373 -8.872 1.00 0.00 C ATOM 692 OE1 GLU A 49 1.901 -2.367 -9.358 1.00 0.00 O ATOM 693 OE2 GLU A 49 0.400 -0.765 -9.453 1.00 0.00 O ATOM 0 H GLU A 49 2.170 -3.209 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 49 3.592 -1.133 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.375 -2.853 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.881 -2.329 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.049 -0.139 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.725 -0.375 -7.600 1.00 0.00 H new ATOM 700 N LEU A 50 2.273 0.649 -4.426 1.00 0.00 N ATOM 701 CA LEU A 50 1.585 1.703 -3.687 1.00 0.00 C ATOM 702 C LEU A 50 0.780 2.593 -4.628 1.00 0.00 C ATOM 703 O LEU A 50 1.302 3.086 -5.628 1.00 0.00 O ATOM 704 CB LEU A 50 2.595 2.547 -2.906 1.00 0.00 C ATOM 705 CG LEU A 50 2.007 3.520 -1.883 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.400 2.762 -0.713 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.073 4.491 -1.397 1.00 0.00 C ATOM 0 H LEU A 50 3.097 0.963 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 50 0.896 1.231 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.277 1.874 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.191 3.117 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 50 1.216 4.093 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.987 3.471 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.607 2.108 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.171 2.163 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.637 5.176 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.886 3.935 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.461 5.059 -2.243 1.00 0.00 H new ATOM 719 N GLN A 51 -0.492 2.795 -4.300 1.00 0.00 N ATOM 720 CA GLN A 51 -1.367 3.627 -5.117 1.00 0.00 C ATOM 721 C GLN A 51 -2.033 4.709 -4.272 1.00 0.00 C ATOM 722 O GLN A 51 -2.836 4.413 -3.387 1.00 0.00 O ATOM 723 CB GLN A 51 -2.434 2.767 -5.797 1.00 0.00 C ATOM 724 CG GLN A 51 -1.859 1.682 -6.694 1.00 0.00 C ATOM 725 CD GLN A 51 -2.902 1.067 -7.607 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.037 1.537 -7.677 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.520 0.010 -8.314 1.00 0.00 N ATOM 0 H GLN A 51 -0.939 2.394 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.758 4.110 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.056 2.303 -5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.084 3.410 -6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.056 2.103 -7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.417 0.901 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.568 -0.346 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.178 -0.446 -8.946 1.00 0.00 H new ATOM 736 N TYR A 52 -1.693 5.962 -4.552 1.00 0.00 N ATOM 737 CA TYR A 52 -2.255 7.088 -3.816 1.00 0.00 C ATOM 738 C TYR A 52 -2.847 8.122 -4.770 1.00 0.00 C ATOM 739 O TYR A 52 -2.428 8.233 -5.923 1.00 0.00 O ATOM 740 CB TYR A 52 -1.183 7.740 -2.941 1.00 0.00 C ATOM 741 CG TYR A 52 0.015 8.235 -3.721 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.903 7.344 -4.309 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.257 9.596 -3.869 1.00 0.00 C ATOM 744 CE1 TYR A 52 1.999 7.792 -5.020 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.350 10.053 -4.581 1.00 0.00 C ATOM 746 CZ TYR A 52 2.218 9.147 -5.154 1.00 0.00 C ATOM 747 OH TYR A 52 3.307 9.598 -5.863 1.00 0.00 O ATOM 0 H TYR A 52 -1.031 6.223 -5.283 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.054 6.709 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.626 8.577 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.848 7.020 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.734 6.282 -4.209 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.420 10.308 -3.420 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.681 7.085 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.523 11.114 -4.688 1.00 0.00 H new ATOM 0 HH TYR A 52 3.315 10.578 -5.863 1.00 0.00 H new ATOM 757 N THR A 53 -3.824 8.879 -4.280 1.00 0.00 N ATOM 758 CA THR A 53 -4.475 9.903 -5.087 1.00 0.00 C ATOM 759 C THR A 53 -5.138 10.957 -4.208 1.00 0.00 C ATOM 760 O THR A 53 -5.617 10.654 -3.114 1.00 0.00 O ATOM 761 CB THR A 53 -5.534 9.292 -6.024 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.981 10.274 -6.965 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.720 8.766 -5.230 1.00 0.00 C ATOM 0 H THR A 53 -4.182 8.802 -3.328 1.00 0.00 H new ATOM 0 HA THR A 53 -3.697 10.373 -5.688 1.00 0.00 H new ATOM 0 HB THR A 53 -5.077 8.459 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.653 9.877 -7.558 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.455 8.339 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.381 7.997 -4.536 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.176 9.584 -4.672 1.00 0.00 H new ATOM 771 N ILE A 54 -5.164 12.194 -4.692 1.00 0.00 N ATOM 772 CA ILE A 54 -5.771 13.292 -3.950 1.00 0.00 C ATOM 773 C ILE A 54 -7.292 13.183 -3.953 1.00 0.00 C ATOM 774 O ILE A 54 -7.911 13.020 -5.005 1.00 0.00 O ATOM 775 CB ILE A 54 -5.364 14.658 -4.532 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.874 14.915 -4.293 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.203 15.767 -3.916 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.330 16.087 -5.080 1.00 0.00 C ATOM 0 H ILE A 54 -4.772 12.461 -5.595 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.406 13.220 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.544 14.647 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.710 15.094 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.312 14.019 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.904 16.727 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.256 15.589 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.051 15.781 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.269 16.211 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.462 15.902 -6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.866 16.994 -4.800 1.00 0.00 H new ATOM 790 N PHE A 55 -7.889 13.276 -2.770 1.00 0.00 N ATOM 791 CA PHE A 55 -9.339 13.189 -2.636 1.00 0.00 C ATOM 792 C PHE A 55 -9.933 14.546 -2.270 1.00 0.00 C ATOM 793 O PHE A 55 -9.564 15.147 -1.260 1.00 0.00 O ATOM 794 CB PHE A 55 -9.713 12.152 -1.575 1.00 0.00 C ATOM 795 CG PHE A 55 -11.170 11.785 -1.584 1.00 0.00 C ATOM 796 CD1 PHE A 55 -12.080 12.490 -0.814 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.628 10.734 -2.363 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.420 12.153 -0.819 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.967 10.393 -2.373 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.865 11.104 -1.601 1.00 0.00 C ATOM 0 H PHE A 55 -7.392 13.412 -1.890 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.750 12.879 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.119 11.252 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.450 12.540 -0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.738 13.312 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.930 10.175 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.119 12.709 -0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.311 9.571 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.912 10.841 -1.608 1.00 0.00 H new ATOM 1050 N MET A 72 -1.613 7.444 -9.050 1.00 0.00 N ATOM 1051 CA MET A 72 -0.160 7.338 -9.004 1.00 0.00 C ATOM 1052 C MET A 72 0.270 5.969 -8.488 1.00 0.00 C ATOM 1053 O MET A 72 -0.397 5.379 -7.637 1.00 0.00 O ATOM 1054 CB MET A 72 0.424 8.437 -8.114 1.00 0.00 C ATOM 1055 CG MET A 72 0.739 9.722 -8.863 1.00 0.00 C ATOM 1056 SD MET A 72 -0.680 10.829 -8.970 1.00 0.00 S ATOM 1057 CE MET A 72 -0.904 11.260 -7.245 1.00 0.00 C ATOM 0 HA MET A 72 0.220 7.460 -10.018 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.281 8.657 -7.312 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.335 8.067 -7.644 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.560 10.237 -8.364 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.081 9.477 -9.869 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.453 12.199 -7.173 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.465 10.472 -6.743 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.070 11.372 -6.768 1.00 0.00 H new ATOM 1067 N ILE A 73 1.386 5.469 -9.007 1.00 0.00 N ATOM 1068 CA ILE A 73 1.903 4.169 -8.598 1.00 0.00 C ATOM 1069 C ILE A 73 3.411 4.223 -8.376 1.00 0.00 C ATOM 1070 O ILE A 73 4.140 4.853 -9.141 1.00 0.00 O ATOM 1071 CB ILE A 73 1.588 3.083 -9.643 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.075 2.944 -9.826 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.201 1.754 -9.228 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.492 3.860 -10.887 1.00 0.00 C ATOM 0 H ILE A 73 1.950 5.944 -9.712 1.00 0.00 H new ATOM 0 HA ILE A 73 1.408 3.913 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 73 2.025 3.380 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.158 1.912 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.418 3.152 -8.877 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.969 0.997 -9.977 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.282 1.862 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.791 1.449 -8.265 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.569 3.707 -10.962 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.290 4.897 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.026 3.637 -11.847 1.00 0.00 H new ATOM 1086 N VAL A 74 3.873 3.555 -7.323 1.00 0.00 N ATOM 1087 CA VAL A 74 5.294 3.524 -7.001 1.00 0.00 C ATOM 1088 C VAL A 74 5.764 2.100 -6.726 1.00 0.00 C ATOM 1089 O VAL A 74 5.743 1.620 -5.593 1.00 0.00 O ATOM 1090 CB VAL A 74 5.612 4.403 -5.776 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.064 4.230 -5.357 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.305 5.863 -6.075 1.00 0.00 C ATOM 0 H VAL A 74 3.283 3.028 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 74 5.823 3.918 -7.869 1.00 0.00 H new ATOM 0 HB VAL A 74 4.980 4.084 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.270 4.858 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.247 3.187 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.717 4.521 -6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.535 6.470 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.911 6.197 -6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.249 5.969 -6.323 1.00 0.00 H new ATOM 1102 N PRO A 75 6.201 1.406 -7.788 1.00 0.00 N ATOM 1103 CA PRO A 75 6.686 0.026 -7.687 1.00 0.00 C ATOM 1104 C PRO A 75 8.020 -0.067 -6.955 1.00 0.00 C ATOM 1105 O PRO A 75 8.454 0.889 -6.313 1.00 0.00 O ATOM 1106 CB PRO A 75 6.847 -0.401 -9.148 1.00 0.00 C ATOM 1107 CG PRO A 75 7.059 0.871 -9.894 1.00 0.00 C ATOM 1108 CD PRO A 75 6.254 1.915 -9.169 1.00 0.00 C ATOM 0 HA PRO A 75 6.004 -0.605 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.692 -1.078 -9.272 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.962 -0.927 -9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.115 1.139 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.732 0.775 -10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.729 2.895 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.257 2.022 -9.596 1.00 0.00 H new ATOM 1116 N ASN A 76 8.666 -1.224 -7.056 1.00 0.00 N ATOM 1117 CA ASN A 76 9.952 -1.441 -6.403 1.00 0.00 C ATOM 1118 C ASN A 76 9.831 -1.264 -4.892 1.00 0.00 C ATOM 1119 O ASN A 76 10.712 -0.687 -4.253 1.00 0.00 O ATOM 1120 CB ASN A 76 11.000 -0.475 -6.959 1.00 0.00 C ATOM 1121 CG ASN A 76 11.360 -0.780 -8.400 1.00 0.00 C ATOM 1122 OD1 ASN A 76 12.163 -1.671 -8.676 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.765 -0.038 -9.328 1.00 0.00 N ATOM 0 H ASN A 76 8.320 -2.026 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 76 10.267 -2.464 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.623 0.545 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.899 -0.525 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.968 -0.197 -10.315 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.106 0.690 -9.053 1.00 0.00 H new ATOM 1130 N ILE A 77 8.736 -1.763 -4.329 1.00 0.00 N ATOM 1131 CA ILE A 77 8.502 -1.661 -2.894 1.00 0.00 C ATOM 1132 C ILE A 77 8.744 -2.998 -2.201 1.00 0.00 C ATOM 1133 O ILE A 77 7.953 -3.932 -2.334 1.00 0.00 O ATOM 1134 CB ILE A 77 7.067 -1.191 -2.590 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.724 0.045 -3.424 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.910 -0.895 -1.106 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.312 0.543 -3.215 1.00 0.00 C ATOM 0 H ILE A 77 7.997 -2.242 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 77 9.207 -0.923 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 77 6.375 -1.990 -2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.423 0.845 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.866 -0.188 -4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.891 -0.564 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.117 -1.798 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.609 -0.111 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.140 1.421 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.606 -0.241 -3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.171 0.808 -2.167 1.00 0.00 H new ATOM 1149 N LYS A 78 9.843 -3.083 -1.459 1.00 0.00 N ATOM 1150 CA LYS A 78 10.190 -4.303 -0.741 1.00 0.00 C ATOM 1151 C LYS A 78 10.195 -4.066 0.765 1.00 0.00 C ATOM 1152 O LYS A 78 11.017 -4.628 1.488 1.00 0.00 O ATOM 1153 CB LYS A 78 11.561 -4.812 -1.192 1.00 0.00 C ATOM 1154 CG LYS A 78 11.670 -5.020 -2.693 1.00 0.00 C ATOM 1155 CD LYS A 78 10.898 -6.249 -3.143 1.00 0.00 C ATOM 1156 CE LYS A 78 10.993 -6.446 -4.648 1.00 0.00 C ATOM 1157 NZ LYS A 78 10.232 -5.405 -5.393 1.00 0.00 N ATOM 0 H LYS A 78 10.509 -2.320 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 78 9.436 -5.056 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.325 -4.102 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.773 -5.754 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.290 -4.140 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.719 -5.126 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.287 -7.131 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.852 -6.149 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.039 -6.419 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.611 -7.433 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.047 -5.737 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.329 -5.223 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.788 -4.527 -5.428 1.00 0.00 H new ATOM 1171 N GLN A 79 9.270 -3.232 1.231 1.00 0.00 N ATOM 1172 CA GLN A 79 9.168 -2.922 2.652 1.00 0.00 C ATOM 1173 C GLN A 79 7.717 -2.976 3.119 1.00 0.00 C ATOM 1174 O GLN A 79 6.811 -3.238 2.329 1.00 0.00 O ATOM 1175 CB GLN A 79 9.757 -1.540 2.938 1.00 0.00 C ATOM 1176 CG GLN A 79 8.980 -0.403 2.294 1.00 0.00 C ATOM 1177 CD GLN A 79 9.356 -0.188 0.842 1.00 0.00 C ATOM 1178 OE1 GLN A 79 9.843 -1.100 0.173 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.132 1.023 0.345 1.00 0.00 N ATOM 0 H GLN A 79 8.581 -2.760 0.645 1.00 0.00 H new ATOM 0 HA GLN A 79 9.736 -3.672 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.788 -1.383 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.787 -1.512 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.913 -0.614 2.362 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.159 0.516 2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.727 1.749 0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.365 1.227 -0.627 1.00 0.00 H new ATOM 1188 N ASN A 80 7.505 -2.727 4.407 1.00 0.00 N ATOM 1189 CA ASN A 80 6.164 -2.748 4.979 1.00 0.00 C ATOM 1190 C ASN A 80 5.662 -1.331 5.242 1.00 0.00 C ATOM 1191 O ASN A 80 4.669 -1.133 5.942 1.00 0.00 O ATOM 1192 CB ASN A 80 6.154 -3.555 6.279 1.00 0.00 C ATOM 1193 CG ASN A 80 6.487 -5.017 6.055 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.445 -5.346 5.355 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.696 -5.902 6.650 1.00 0.00 N ATOM 0 H ASN A 80 8.245 -2.508 5.074 1.00 0.00 H new ATOM 0 HA ASN A 80 5.497 -3.223 4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.873 -3.124 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.172 -3.476 6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.871 -6.900 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.913 -5.584 7.221 1.00 0.00 H new ATOM 1202 N HIS A 81 6.356 -0.349 4.675 1.00 0.00 N ATOM 1203 CA HIS A 81 5.980 1.050 4.847 1.00 0.00 C ATOM 1204 C HIS A 81 6.740 1.941 3.869 1.00 0.00 C ATOM 1205 O HIS A 81 7.969 2.010 3.904 1.00 0.00 O ATOM 1206 CB HIS A 81 6.253 1.500 6.283 1.00 0.00 C ATOM 1207 CG HIS A 81 7.525 0.951 6.851 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.556 -0.057 7.792 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.816 1.274 6.606 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.811 -0.329 8.102 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.596 0.464 7.395 1.00 0.00 N ATOM 0 H HIS A 81 7.181 -0.496 4.093 1.00 0.00 H new ATOM 0 HA HIS A 81 4.914 1.142 4.642 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.292 2.589 6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.420 1.193 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.168 2.028 5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.139 -1.073 8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.615 0.473 7.429 1.00 0.00 H new ATOM 1220 N TYR A 82 6.001 2.619 2.998 1.00 0.00 N ATOM 1221 CA TYR A 82 6.606 3.502 2.008 1.00 0.00 C ATOM 1222 C TYR A 82 6.188 4.951 2.244 1.00 0.00 C ATOM 1223 O TYR A 82 5.000 5.270 2.274 1.00 0.00 O ATOM 1224 CB TYR A 82 6.208 3.069 0.596 1.00 0.00 C ATOM 1225 CG TYR A 82 6.771 3.957 -0.491 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.316 5.259 -0.656 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.756 3.493 -1.354 1.00 0.00 C ATOM 1228 CE1 TYR A 82 6.826 6.074 -1.648 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.273 4.301 -2.347 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.805 5.591 -2.491 1.00 0.00 C ATOM 1231 OH TYR A 82 8.317 6.398 -3.480 1.00 0.00 O ATOM 0 H TYR A 82 4.983 2.574 2.957 1.00 0.00 H new ATOM 0 HA TYR A 82 7.689 3.433 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.546 2.046 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.121 3.061 0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.550 5.641 0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.123 2.483 -1.246 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.460 7.084 -1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.040 3.925 -3.008 1.00 0.00 H new ATOM 0 HH TYR A 82 9.147 6.007 -3.824 1.00 0.00 H new ATOM 1241 N THR A 83 7.176 5.825 2.410 1.00 0.00 N ATOM 1242 CA THR A 83 6.914 7.239 2.644 1.00 0.00 C ATOM 1243 C THR A 83 6.697 7.982 1.330 1.00 0.00 C ATOM 1244 O THR A 83 7.620 8.131 0.529 1.00 0.00 O ATOM 1245 CB THR A 83 8.070 7.906 3.413 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.466 7.081 4.514 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.661 9.279 3.922 1.00 0.00 C ATOM 0 H THR A 83 8.165 5.578 2.387 1.00 0.00 H new ATOM 0 HA THR A 83 6.007 7.297 3.246 1.00 0.00 H new ATOM 0 HB THR A 83 8.910 8.026 2.729 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.202 7.511 4.997 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.494 9.730 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.389 9.914 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.806 9.179 4.591 1.00 0.00 H new ATOM 1255 N VAL A 84 5.471 8.449 1.116 1.00 0.00 N ATOM 1256 CA VAL A 84 5.133 9.179 -0.101 1.00 0.00 C ATOM 1257 C VAL A 84 5.533 10.646 0.010 1.00 0.00 C ATOM 1258 O VAL A 84 5.175 11.328 0.971 1.00 0.00 O ATOM 1259 CB VAL A 84 3.626 9.091 -0.408 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.283 9.916 -1.639 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.205 7.641 -0.594 1.00 0.00 C ATOM 0 H VAL A 84 4.696 8.335 1.769 1.00 0.00 H new ATOM 0 HA VAL A 84 5.690 8.714 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 84 3.075 9.500 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.214 9.842 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.548 10.959 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.841 9.539 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.138 7.597 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.761 7.204 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.414 7.082 0.318 1.00 0.00 H new ATOM 1271 N HIS A 85 6.277 11.127 -0.981 1.00 0.00 N ATOM 1272 CA HIS A 85 6.725 12.515 -0.995 1.00 0.00 C ATOM 1273 C HIS A 85 6.060 13.289 -2.129 1.00 0.00 C ATOM 1274 O HIS A 85 5.784 12.736 -3.193 1.00 0.00 O ATOM 1275 CB HIS A 85 8.246 12.581 -1.142 1.00 0.00 C ATOM 1276 CG HIS A 85 8.984 12.257 0.121 1.00 0.00 C ATOM 1277 ND1 HIS A 85 9.027 11.120 0.854 1.00 0.00 N flip ATOM 1278 CD2 HIS A 85 9.796 13.162 0.771 1.00 0.00 C flip ATOM 1279 CE1 HIS A 85 9.857 11.356 1.922 1.00 0.00 C flip ATOM 1280 NE2 HIS A 85 10.308 12.595 1.849 1.00 0.00 N flip ATOM 0 H HIS A 85 6.582 10.577 -1.784 1.00 0.00 H new ATOM 0 HA HIS A 85 6.438 12.973 -0.048 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.558 11.888 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.528 13.581 -1.472 1.00 0.00 H new ATOM 0 HD1 HIS A 85 8.535 10.250 0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.984 14.176 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 85 10.101 10.644 2.696 1.00 0.00 H new ATOM 1289 N GLY A 86 5.803 14.572 -1.893 1.00 0.00 N ATOM 1290 CA GLY A 86 5.171 15.400 -2.903 1.00 0.00 C ATOM 1291 C GLY A 86 3.682 15.565 -2.670 1.00 0.00 C ATOM 1292 O GLY A 86 2.882 15.428 -3.596 1.00 0.00 O ATOM 0 H GLY A 86 6.021 15.053 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.645 16.382 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.335 14.958 -3.886 1.00 0.00 H new ATOM 1296 N LEU A 87 3.308 15.857 -1.429 1.00 0.00 N ATOM 1297 CA LEU A 87 1.905 16.039 -1.075 1.00 0.00 C ATOM 1298 C LEU A 87 1.620 17.491 -0.704 1.00 0.00 C ATOM 1299 O LEU A 87 2.516 18.335 -0.730 1.00 0.00 O ATOM 1300 CB LEU A 87 1.528 15.120 0.088 1.00 0.00 C ATOM 1301 CG LEU A 87 1.833 13.634 -0.105 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.798 12.904 1.229 1.00 0.00 C ATOM 1303 CD2 LEU A 87 0.848 13.010 -1.083 1.00 0.00 C ATOM 0 H LEU A 87 3.957 15.973 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 87 1.301 15.781 -1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.050 15.464 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.461 15.229 0.280 1.00 0.00 H new ATOM 0 HG LEU A 87 2.836 13.540 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.017 11.848 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.543 13.334 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.808 13.007 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.080 11.952 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.165 13.116 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.923 13.514 -2.046 1.00 0.00 H new ATOM 1315 N GLN A 88 0.369 17.773 -0.356 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.033 19.123 0.023 1.00 0.00 C ATOM 1317 C GLN A 88 -0.491 19.166 1.477 1.00 0.00 C ATOM 1318 O GLN A 88 -1.180 18.261 1.948 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.152 19.620 -0.893 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.771 19.640 -2.364 1.00 0.00 C ATOM 1321 CD GLN A 88 -1.977 19.729 -3.278 1.00 0.00 C ATOM 1322 OE1 GLN A 88 -2.866 20.556 -3.074 1.00 0.00 O ATOM 1323 NE2 GLN A 88 -2.014 18.876 -4.295 1.00 0.00 N ATOM 0 H GLN A 88 -0.384 17.085 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 88 0.832 19.777 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.027 18.984 -0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.440 20.626 -0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.113 20.488 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.206 18.739 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.256 18.207 -4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.801 18.890 -4.944 1.00 0.00 H new ATOM 1332 N SER A 89 -0.105 20.224 2.182 1.00 0.00 N ATOM 1333 CA SER A 89 -0.473 20.384 3.584 1.00 0.00 C ATOM 1334 C SER A 89 -1.988 20.460 3.743 1.00 0.00 C ATOM 1335 O SER A 89 -2.679 21.074 2.930 1.00 0.00 O ATOM 1336 CB SER A 89 0.176 21.643 4.164 1.00 0.00 C ATOM 1337 OG SER A 89 0.325 22.643 3.171 1.00 0.00 O ATOM 0 H SER A 89 0.463 20.983 1.806 1.00 0.00 H new ATOM 0 HA SER A 89 -0.111 19.513 4.130 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.434 22.026 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.151 21.394 4.583 1.00 0.00 H new ATOM 0 HG SER A 89 0.740 23.438 3.567 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.499 19.831 4.797 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.930 19.839 5.044 1.00 0.00 C ATOM 1345 C GLY A 90 -4.730 19.420 3.827 1.00 0.00 C ATOM 1346 O GLY A 90 -5.533 20.195 3.305 1.00 0.00 O ATOM 0 H GLY A 90 -1.948 19.316 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.156 19.168 5.873 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.237 20.839 5.350 1.00 0.00 H new ATOM 1350 N THR A 91 -4.512 18.190 3.372 1.00 0.00 N ATOM 1351 CA THR A 91 -5.217 17.670 2.207 1.00 0.00 C ATOM 1352 C THR A 91 -5.461 16.171 2.336 1.00 0.00 C ATOM 1353 O THR A 91 -4.622 15.439 2.859 1.00 0.00 O ATOM 1354 CB THR A 91 -4.434 17.942 0.908 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.446 19.343 0.613 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.032 17.167 -0.256 1.00 0.00 C ATOM 0 H THR A 91 -3.853 17.535 3.793 1.00 0.00 H new ATOM 0 HA THR A 91 -6.175 18.188 2.160 1.00 0.00 H new ATOM 0 HB THR A 91 -3.406 17.611 1.053 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.087 19.491 -0.287 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.463 17.375 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.994 16.099 -0.040 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.069 17.471 -0.401 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.616 15.721 1.855 1.00 0.00 N ATOM 1365 CA ARG A 92 -6.970 14.308 1.917 1.00 0.00 C ATOM 1366 C ARG A 92 -6.166 13.501 0.902 1.00 0.00 C ATOM 1367 O ARG A 92 -5.837 13.993 -0.178 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.467 14.124 1.660 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.337 14.463 2.860 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.633 13.669 2.850 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.658 14.283 3.689 1.00 0.00 N ATOM 1372 CZ ARG A 92 -11.662 14.210 5.016 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -10.701 13.553 5.650 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.629 14.796 5.711 1.00 0.00 N ATOM 0 H ARG A 92 -7.322 16.314 1.419 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.732 13.943 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.762 14.751 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.653 13.090 1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.789 14.255 3.779 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.562 15.529 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.002 13.590 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.439 12.655 3.199 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.412 14.796 3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.956 13.102 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.707 13.499 6.669 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.370 15.303 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.631 14.739 6.729 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.852 12.260 1.257 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.084 11.385 0.379 1.00 0.00 C ATOM 1390 C TYR A 93 -5.461 9.923 0.600 1.00 0.00 C ATOM 1391 O TYR A 93 -5.247 9.373 1.681 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.585 11.578 0.616 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.974 12.671 -0.232 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.574 12.422 -1.539 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.797 13.953 0.274 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.014 13.418 -2.317 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -2.240 14.955 -0.497 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.850 14.682 -1.791 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.294 15.677 -2.563 1.00 0.00 O ATOM 0 H TYR A 93 -6.117 11.837 2.147 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.320 11.650 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.419 11.810 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.069 10.640 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.703 11.433 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.100 14.170 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.707 13.207 -3.331 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.111 15.946 -0.088 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.250 16.507 -2.044 1.00 0.00 H new ATOM 1409 N ILE A 94 -6.021 9.301 -0.431 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.427 7.903 -0.351 1.00 0.00 C ATOM 1411 C ILE A 94 -5.318 6.980 -0.845 1.00 0.00 C ATOM 1412 O ILE A 94 -4.825 7.128 -1.964 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.703 7.639 -1.171 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.863 8.480 -0.635 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -8.055 6.160 -1.141 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -10.169 8.239 -1.359 1.00 0.00 C ATOM 0 H ILE A 94 -6.204 9.743 -1.332 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.631 7.693 0.699 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.518 7.927 -2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.999 8.263 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.603 9.536 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.959 5.989 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.234 5.582 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.224 5.847 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.947 8.868 -0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.050 8.483 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.453 7.191 -1.259 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.931 6.026 -0.005 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.881 5.078 -0.356 1.00 0.00 C ATOM 1430 C PHE A 95 -4.453 3.675 -0.536 1.00 0.00 C ATOM 1431 O PHE A 95 -5.385 3.279 0.165 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.795 5.064 0.722 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.061 6.368 0.850 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.637 7.440 1.512 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.795 6.521 0.308 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.964 8.641 1.633 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.117 7.720 0.426 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.703 8.782 1.088 1.00 0.00 C ATOM 0 H PHE A 95 -5.329 5.889 0.924 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.441 5.396 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.250 4.816 1.681 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.079 4.274 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.624 7.336 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.333 5.695 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.424 9.468 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.870 7.827 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.176 9.720 1.179 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.890 2.929 -1.480 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.343 1.570 -1.752 1.00 0.00 C ATOM 1450 C ILE A 96 -3.171 0.658 -2.098 1.00 0.00 C ATOM 1451 O ILE A 96 -2.585 0.764 -3.175 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.363 1.537 -2.905 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.690 2.155 -2.460 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.572 0.109 -3.386 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.517 2.699 -3.603 1.00 0.00 C ATOM 0 H ILE A 96 -3.119 3.242 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.823 1.210 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.971 2.125 -3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.272 1.402 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.488 2.960 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.296 0.102 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.624 -0.299 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.946 -0.501 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.443 3.121 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.954 3.475 -4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.750 1.893 -4.299 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.834 -0.240 -1.177 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.734 -1.173 -1.386 1.00 0.00 C ATOM 1469 C VAL A 97 -2.205 -2.422 -2.123 1.00 0.00 C ATOM 1470 O VAL A 97 -3.103 -3.127 -1.662 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.091 -1.590 -0.050 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.051 -2.677 -0.274 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.474 -0.385 0.644 1.00 0.00 C ATOM 0 H VAL A 97 -3.307 -0.341 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.991 -0.656 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.870 -1.993 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.392 -2.959 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.527 -3.548 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.728 -2.304 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.024 -0.698 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.293 0.051 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.248 0.357 0.840 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.592 -2.691 -3.271 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.946 -3.856 -4.073 1.00 0.00 C ATOM 1485 C LYS A 98 -0.783 -4.840 -4.146 1.00 0.00 C ATOM 1486 O LYS A 98 0.227 -4.575 -4.797 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.353 -3.425 -5.484 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.357 -4.563 -6.490 1.00 0.00 C ATOM 1489 CD LYS A 98 -2.616 -4.060 -7.900 1.00 0.00 C ATOM 1490 CE LYS A 98 -1.324 -3.659 -8.595 1.00 0.00 C ATOM 1491 NZ LYS A 98 -1.556 -3.260 -10.010 1.00 0.00 N ATOM 0 H LYS A 98 -0.847 -2.117 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.790 -4.353 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.348 -2.981 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.670 -2.649 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.399 -5.081 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.122 -5.290 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.116 -4.837 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.292 -3.205 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.863 -2.832 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.621 -4.491 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.041 -2.379 -10.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.216 -4.012 -10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.573 -3.110 -10.166 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.933 -5.977 -3.474 1.00 0.00 N ATOM 1506 CA ALA A 99 0.104 -7.002 -3.466 1.00 0.00 C ATOM 1507 C ALA A 99 0.178 -7.718 -4.810 1.00 0.00 C ATOM 1508 O ALA A 99 -0.848 -8.035 -5.412 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.150 -8.001 -2.347 1.00 0.00 C ATOM 0 H ALA A 99 -1.762 -6.211 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 99 1.062 -6.513 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.632 -8.760 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.145 -7.482 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.119 -8.477 -2.497 1.00 0.00 H new ATOM 1515 N ILE A 100 1.397 -7.968 -5.275 1.00 0.00 N ATOM 1516 CA ILE A 100 1.604 -8.648 -6.548 1.00 0.00 C ATOM 1517 C ILE A 100 2.506 -9.866 -6.381 1.00 0.00 C ATOM 1518 O ILE A 100 3.550 -9.794 -5.735 1.00 0.00 O ATOM 1519 CB ILE A 100 2.225 -7.704 -7.595 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.365 -6.448 -7.755 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.378 -8.420 -8.929 1.00 0.00 C ATOM 1522 CD1 ILE A 100 2.138 -5.245 -8.249 1.00 0.00 C ATOM 0 H ILE A 100 2.256 -7.710 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 100 0.623 -8.971 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 100 3.214 -7.403 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 100 0.554 -6.659 -8.452 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.907 -6.207 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.818 -7.740 -9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.026 -9.287 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.399 -8.746 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.465 -4.392 -8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.933 -5.008 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.574 -5.467 -9.223 1.00 0.00 H new ATOM 1534 N ASN A 101 2.095 -10.985 -6.970 1.00 0.00 N ATOM 1535 CA ASN A 101 2.866 -12.220 -6.887 1.00 0.00 C ATOM 1536 C ASN A 101 2.910 -12.925 -8.239 1.00 0.00 C ATOM 1537 O ASN A 101 2.396 -12.413 -9.234 1.00 0.00 O ATOM 1538 CB ASN A 101 2.265 -13.151 -5.833 1.00 0.00 C ATOM 1539 CG ASN A 101 0.838 -13.548 -6.158 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.260 -13.079 -7.139 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.262 -14.414 -5.333 1.00 0.00 N ATOM 0 H ASN A 101 1.233 -11.061 -7.510 1.00 0.00 H new ATOM 0 HA ASN A 101 3.885 -11.964 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.879 -14.048 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.290 -12.659 -4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.698 -14.717 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 101 0.779 -14.777 -4.532 1.00 0.00 H new ATOM 1548 N GLN A 102 3.528 -14.101 -8.267 1.00 0.00 N ATOM 1549 CA GLN A 102 3.639 -14.876 -9.497 1.00 0.00 C ATOM 1550 C GLN A 102 2.262 -15.159 -10.089 1.00 0.00 C ATOM 1551 O GLN A 102 2.106 -15.252 -11.306 1.00 0.00 O ATOM 1552 CB GLN A 102 4.372 -16.192 -9.232 1.00 0.00 C ATOM 1553 CG GLN A 102 4.264 -17.190 -10.373 1.00 0.00 C ATOM 1554 CD GLN A 102 5.061 -16.772 -11.592 1.00 0.00 C ATOM 1555 OE1 GLN A 102 6.085 -16.097 -11.477 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.596 -17.171 -12.770 1.00 0.00 N ATOM 0 H GLN A 102 3.959 -14.538 -7.452 1.00 0.00 H new ATOM 0 HA GLN A 102 4.210 -14.288 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.425 -15.980 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.971 -16.645 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.613 -18.165 -10.032 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.216 -17.306 -10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.744 -17.729 -12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.091 -16.919 -13.626 1.00 0.00 H new ATOM 1565 N ALA A 103 1.266 -15.295 -9.220 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.098 -15.565 -9.656 1.00 0.00 C ATOM 1567 C ALA A 103 -0.738 -14.320 -10.261 1.00 0.00 C ATOM 1568 O ALA A 103 -0.925 -14.233 -11.474 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.933 -16.077 -8.492 1.00 0.00 C ATOM 0 H ALA A 103 1.379 -15.222 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.060 -16.334 -10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.949 -16.274 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.494 -16.997 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.954 -15.327 -7.702 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.072 -13.357 -9.407 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.688 -12.130 -9.877 1.00 0.00 C ATOM 1577 C GLY A 104 -1.485 -10.975 -8.916 1.00 0.00 C ATOM 1578 O GLY A 104 -0.388 -10.777 -8.396 1.00 0.00 O ATOM 0 H GLY A 104 -0.927 -13.405 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.272 -11.867 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.756 -12.295 -10.022 1.00 0.00 H new ATOM 1582 N SER A 105 -2.547 -10.210 -8.681 1.00 0.00 N ATOM 1583 CA SER A 105 -2.479 -9.065 -7.780 1.00 0.00 C ATOM 1584 C SER A 105 -3.781 -8.909 -7.001 1.00 0.00 C ATOM 1585 O SER A 105 -4.848 -9.311 -7.466 1.00 0.00 O ATOM 1586 CB SER A 105 -2.186 -7.786 -8.568 1.00 0.00 C ATOM 1587 OG SER A 105 -3.178 -7.556 -9.553 1.00 0.00 O ATOM 0 H SER A 105 -3.464 -10.362 -9.102 1.00 0.00 H new ATOM 0 HA SER A 105 -1.670 -9.239 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.142 -6.937 -7.886 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.208 -7.864 -9.043 1.00 0.00 H new ATOM 0 HG SER A 105 -2.969 -6.732 -10.041 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.686 -8.321 -5.813 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.855 -8.112 -4.968 1.00 0.00 C ATOM 1595 C ARG A 106 -4.917 -6.671 -4.471 1.00 0.00 C ATOM 1596 O ARG A 106 -4.058 -6.230 -3.708 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.828 -9.072 -3.777 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.143 -9.137 -3.017 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.321 -9.334 -3.958 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.550 -9.656 -3.237 1.00 0.00 N ATOM 1601 CZ ARG A 106 -8.755 -10.811 -2.613 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -7.817 -11.748 -2.621 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -9.899 -11.029 -1.979 1.00 0.00 N ATOM 0 H ARG A 106 -2.811 -7.981 -5.414 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.744 -8.310 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.573 -10.071 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.037 -8.766 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.109 -9.956 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.281 -8.218 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.472 -8.428 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.093 -10.135 -4.661 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.291 -8.956 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -6.935 -11.583 -3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.977 -12.634 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.622 -10.310 -1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.056 -11.916 -1.500 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.938 -5.942 -4.911 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.111 -4.550 -4.512 1.00 0.00 C ATOM 1619 C ASN A 107 -6.817 -4.454 -3.163 1.00 0.00 C ATOM 1620 O ASN A 107 -7.942 -4.929 -3.005 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.908 -3.789 -5.573 1.00 0.00 C ATOM 1622 CG ASN A 107 -6.027 -3.261 -6.689 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.510 -4.028 -7.502 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -5.853 -1.946 -6.734 1.00 0.00 N ATOM 0 H ASN A 107 -6.658 -6.292 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.123 -4.100 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.668 -4.447 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.432 -2.957 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.271 -1.533 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.301 -1.348 -6.039 1.00 0.00 H new ATOM 1631 N SER A 108 -6.150 -3.836 -2.194 1.00 0.00 N ATOM 1632 CA SER A 108 -6.712 -3.681 -0.857 1.00 0.00 C ATOM 1633 C SER A 108 -7.719 -2.535 -0.822 1.00 0.00 C ATOM 1634 O SER A 108 -7.837 -1.769 -1.777 1.00 0.00 O ATOM 1635 CB SER A 108 -5.599 -3.428 0.161 1.00 0.00 C ATOM 1636 OG SER A 108 -4.852 -2.271 -0.176 1.00 0.00 O ATOM 0 H SER A 108 -5.220 -3.434 -2.309 1.00 0.00 H new ATOM 0 HA SER A 108 -7.229 -4.605 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.031 -3.309 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.937 -4.293 0.203 1.00 0.00 H new ATOM 0 HG SER A 108 -3.944 -2.532 -0.435 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.443 -2.426 0.288 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.441 -1.375 0.448 1.00 0.00 C ATOM 1644 C GLU A 109 -8.778 -0.004 0.535 1.00 0.00 C ATOM 1645 O GLU A 109 -7.641 0.137 0.987 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.282 -1.627 1.701 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.127 -2.888 1.624 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.126 -2.991 2.760 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.760 -3.535 3.823 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.273 -2.530 2.586 1.00 0.00 O ATOM 0 H GLU A 109 -8.357 -3.052 1.089 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.091 -1.390 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.620 -1.695 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.936 -0.771 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.660 -2.906 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.474 -3.760 1.640 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.503 1.033 0.091 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.006 2.412 0.108 1.00 0.00 C ATOM 1659 C PRO A 110 -8.893 2.971 1.522 1.00 0.00 C ATOM 1660 O PRO A 110 -9.880 3.040 2.255 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.065 3.180 -0.687 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.309 2.374 -0.539 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.865 0.939 -0.460 1.00 0.00 C ATOM 0 HA PRO A 110 -8.001 2.488 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.198 4.189 -0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.779 3.278 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.857 2.663 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.978 2.530 -1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.519 0.351 0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.870 0.462 -1.440 1.00 0.00 H new ATOM 1671 N THR A 111 -7.682 3.368 1.902 1.00 0.00 N ATOM 1672 CA THR A 111 -7.440 3.920 3.228 1.00 0.00 C ATOM 1673 C THR A 111 -7.270 5.434 3.172 1.00 0.00 C ATOM 1674 O THR A 111 -6.266 5.937 2.668 1.00 0.00 O ATOM 1675 CB THR A 111 -6.188 3.298 3.875 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.426 1.919 4.177 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.809 4.043 5.147 1.00 0.00 C ATOM 0 H THR A 111 -6.854 3.317 1.309 1.00 0.00 H new ATOM 0 HA THR A 111 -8.313 3.678 3.835 1.00 0.00 H new ATOM 0 HB THR A 111 -5.363 3.377 3.167 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.170 1.738 5.106 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.922 3.586 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.600 5.086 4.909 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.633 3.992 5.858 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.257 6.156 3.693 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.216 7.613 3.700 1.00 0.00 C ATOM 1687 C ARG A 112 -7.216 8.123 4.734 1.00 0.00 C ATOM 1688 O ARG A 112 -7.183 7.647 5.870 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.606 8.182 3.995 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.640 7.841 2.935 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.703 8.923 2.827 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.822 8.684 3.735 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.748 7.754 3.532 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.689 6.978 2.458 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.735 7.597 4.405 1.00 0.00 N ATOM 0 H ARG A 112 -9.095 5.755 4.116 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.896 7.948 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.947 7.804 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.534 9.266 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.147 7.716 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.112 6.889 3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.257 9.893 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.071 8.968 1.802 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.896 9.263 4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.931 7.095 1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.402 6.264 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.783 8.191 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.446 6.882 4.248 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.403 9.093 4.333 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.401 9.669 5.224 1.00 0.00 C ATOM 1711 C LEU A 113 -5.209 11.155 4.940 1.00 0.00 C ATOM 1712 O LEU A 113 -5.226 11.586 3.787 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.069 8.932 5.069 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.113 7.417 5.269 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.751 6.802 4.986 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.571 7.078 6.680 1.00 0.00 C ATOM 0 H LEU A 113 -6.417 9.498 3.397 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.755 9.557 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.678 9.136 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.359 9.352 5.782 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.832 6.997 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.801 5.723 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.463 7.015 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.012 7.227 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.596 5.995 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.877 7.510 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.568 7.486 6.847 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.024 11.935 6.000 1.00 0.00 N ATOM 1729 CA LYS A 114 -4.825 13.373 5.866 1.00 0.00 C ATOM 1730 C LYS A 114 -3.462 13.787 6.411 1.00 0.00 C ATOM 1731 O LYS A 114 -2.918 13.142 7.308 1.00 0.00 O ATOM 1732 CB LYS A 114 -5.931 14.133 6.603 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.139 14.442 5.734 1.00 0.00 C ATOM 1734 CD LYS A 114 -6.999 15.789 5.045 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.444 16.927 5.951 1.00 0.00 C ATOM 1736 NZ LYS A 114 -6.881 18.235 5.515 1.00 0.00 N ATOM 0 H LYS A 114 -5.008 11.595 6.962 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.865 13.622 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.253 13.546 7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.523 15.067 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.259 13.660 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.040 14.438 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.961 15.942 4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.594 15.795 4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.533 16.983 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.131 16.720 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.458 19.008 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.904 18.325 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.887 18.287 4.476 1.00 0.00 H new ATOM 1750 N THR A 115 -2.914 14.867 5.863 1.00 0.00 N ATOM 1751 CA THR A 115 -1.614 15.367 6.294 1.00 0.00 C ATOM 1752 C THR A 115 -1.762 16.387 7.417 1.00 0.00 C ATOM 1753 O THR A 115 -2.871 16.805 7.746 1.00 0.00 O ATOM 1754 CB THR A 115 -0.846 16.014 5.126 1.00 0.00 C ATOM 1755 OG1 THR A 115 -1.720 16.864 4.376 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.257 14.951 4.211 1.00 0.00 C ATOM 0 H THR A 115 -3.350 15.412 5.120 1.00 0.00 H new ATOM 0 HA THR A 115 -1.050 14.508 6.659 1.00 0.00 H new ATOM 0 HB THR A 115 -0.031 16.607 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.249 17.202 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 115 0.281 15.432 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.430 14.323 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.060 14.335 3.805 1.00 0.00 H new ATOM 1764 N ASN A 116 -0.636 16.784 8.001 1.00 0.00 N ATOM 1765 CA ASN A 116 -0.641 17.757 9.088 1.00 0.00 C ATOM 1766 C ASN A 116 -0.681 19.181 8.543 1.00 0.00 C ATOM 1767 O ASN A 116 -0.259 19.438 7.416 1.00 0.00 O ATOM 1768 CB ASN A 116 0.595 17.571 9.971 1.00 0.00 C ATOM 1769 CG ASN A 116 0.697 16.167 10.535 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.242 15.377 10.437 1.00 0.00 O ATOM 1771 ND2 ASN A 116 1.842 15.851 11.129 1.00 0.00 N ATOM 0 H ASN A 116 0.291 16.447 7.740 1.00 0.00 H new ATOM 0 HA ASN A 116 -1.536 17.591 9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.490 17.792 9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.563 18.288 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 116 1.970 14.921 11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.593 16.538 11.187 1.00 0.00 H new