USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 583 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 97 CYS SG : rot 174:sc= 0.141 USER MOD Set 1.2: A 100 CYS SG : rot 155:sc= 0.246 USER MOD Set 1.3: A 113 HIS : no HE2:sc= 0.133 K(o=1.3,f=-0.094) USER MOD Set 1.4: A 119 HIS : no HD1:sc= 0 X(o=1.3,f=1.1) USER MOD Set 1.5: A 122 ASN : amide:sc= 0.806 K(o=1.3,f=0.31) USER MOD Set 2.1: A 36 CYS SG : rot -132:sc= 0.352 USER MOD Set 2.2: A 39 CYS SG : rot 158:sc= 0.363 USER MOD Set 2.3: A 52 HIS : no HE2:sc= -0.652 X(o=-0.13,f=0.16) USER MOD Set 2.4: A 58 HIS : no HD1:sc= -0.194 X(o=-0.13,f=-0.16) USER MOD Set 3.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 35 GLN : amide:sc= 0.915 K(o=2,f=-2.8) USER MOD Set 4.2: A 37 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0) USER MOD Set 5.1: A 21 ASN : amide:sc= 0.683 K(o=3.9,f=-4.2!) USER MOD Set 5.2: A 49 LYS NZ :NH3+ -144:sc= 3.21 (180deg=1.14) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 1.24 (180deg=0.445) USER MOD Single : A 22 SER OG : rot 78:sc= 0.86 USER MOD Single : A 27 ASN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 28 SER OG : rot 120:sc= 0.426 USER MOD Single : A 29 HIS : no HD1:sc= 0.444 K(o=0.44,f=-2.7!) USER MOD Single : A 32 SER OG : rot -43:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 17:sc= 0.35 USER MOD Single : A 48 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 53 TYR OH : rot -167:sc= 0.87 USER MOD Single : A 54 GLN : amide:sc= 0.94 K(o=0.94,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 29:sc= 0.0472 USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00346) USER MOD Single : A 96 CYS SG : rot 28:sc= -0.156 USER MOD Single : A 101 ASN : amide:sc=-0.000671 K(o=-0.00067,f=-0.72) USER MOD Single : A 102 MET CE :methyl -151:sc= 0 (180deg=-0.071) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 106 SER OG : rot 180:sc= 0.034 USER MOD Single : A 112 SER OG : rot 87:sc= 1.1 USER MOD Single : A 114 TYR OH : rot -1:sc= 0.602 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.894 7.740 15.659 1.00 1.00 N ATOM 189 CA GLY A 16 -17.656 7.376 17.064 1.00 1.00 C ATOM 190 C GLY A 16 -16.703 6.188 17.218 1.00 1.00 C ATOM 191 O GLY A 16 -16.401 5.498 16.240 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.245 8.236 17.592 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.608 7.136 17.538 1.00 1.00 H new ATOM 195 N LYS A 17 -16.224 5.932 18.444 1.00 1.00 N ATOM 196 CA LYS A 17 -15.279 4.837 18.743 1.00 1.00 C ATOM 197 C LYS A 17 -15.777 3.454 18.308 1.00 1.00 C ATOM 198 O LYS A 17 -14.994 2.677 17.771 1.00 1.00 O ATOM 199 CB LYS A 17 -14.869 4.876 20.227 1.00 1.00 C ATOM 200 CG LYS A 17 -13.926 3.707 20.570 1.00 1.00 C ATOM 201 CD LYS A 17 -13.042 3.934 21.798 1.00 1.00 C ATOM 202 CE LYS A 17 -13.805 4.277 23.082 1.00 1.00 C ATOM 203 NZ LYS A 17 -12.901 4.190 24.258 1.00 1.00 N ATOM 0 H LYS A 17 -16.481 6.481 19.264 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.390 5.009 18.136 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.375 5.823 20.447 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.758 4.827 20.855 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.525 2.811 20.732 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.286 3.511 19.710 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.449 3.036 21.973 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.342 4.741 21.581 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.221 5.282 23.008 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.644 3.593 23.208 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.106 4.972 24.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -13.051 3.284 24.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -11.912 4.253 23.941 1.00 1.00 H new ATOM 217 N ASP A 18 -17.062 3.152 18.493 1.00 1.00 N ATOM 218 CA ASP A 18 -17.653 1.871 18.074 1.00 1.00 C ATOM 219 C ASP A 18 -17.494 1.646 16.559 1.00 1.00 C ATOM 220 O ASP A 18 -17.085 0.568 16.121 1.00 1.00 O ATOM 221 CB ASP A 18 -19.137 1.824 18.468 1.00 1.00 C ATOM 222 CG ASP A 18 -19.329 1.817 19.993 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.242 0.728 20.609 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.571 2.901 20.577 1.00 1.00 O ATOM 0 H ASP A 18 -17.727 3.785 18.937 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.120 1.069 18.585 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.652 2.685 18.042 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.597 0.933 18.041 1.00 1.00 H new ATOM 229 N ALA A 19 -17.755 2.686 15.758 1.00 1.00 N ATOM 230 CA ALA A 19 -17.581 2.648 14.310 1.00 1.00 C ATOM 231 C ALA A 19 -16.093 2.601 13.916 1.00 1.00 C ATOM 232 O ALA A 19 -15.741 1.851 13.009 1.00 1.00 O ATOM 233 CB ALA A 19 -18.311 3.842 13.688 1.00 1.00 C ATOM 0 H ALA A 19 -18.096 3.583 16.104 1.00 1.00 H new ATOM 0 HA ALA A 19 -18.020 1.730 13.919 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -18.186 3.821 12.605 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -19.372 3.787 13.932 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.895 4.769 14.083 1.00 1.00 H new ATOM 239 N VAL A 20 -15.204 3.340 14.601 1.00 1.00 N ATOM 240 CA VAL A 20 -13.748 3.295 14.335 1.00 1.00 C ATOM 241 C VAL A 20 -13.193 1.892 14.605 1.00 1.00 C ATOM 242 O VAL A 20 -12.484 1.343 13.765 1.00 1.00 O ATOM 243 CB VAL A 20 -12.977 4.346 15.165 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.457 4.176 15.031 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.300 5.772 14.708 1.00 1.00 C ATOM 0 H VAL A 20 -15.467 3.981 15.349 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.604 3.537 13.282 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.290 4.189 16.197 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.952 4.934 15.630 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.169 3.185 15.382 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -11.169 4.288 13.986 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.740 6.484 15.314 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -13.023 5.890 13.660 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.368 5.958 14.824 1.00 1.00 H new ATOM 255 N ASN A 21 -13.548 1.271 15.734 1.00 1.00 N ATOM 256 CA ASN A 21 -13.118 -0.090 16.069 1.00 1.00 C ATOM 257 C ASN A 21 -13.646 -1.108 15.037 1.00 1.00 C ATOM 258 O ASN A 21 -12.904 -1.997 14.615 1.00 1.00 O ATOM 259 CB ASN A 21 -13.568 -0.437 17.500 1.00 1.00 C ATOM 260 CG ASN A 21 -12.803 0.288 18.602 1.00 1.00 C ATOM 261 OD1 ASN A 21 -11.751 0.889 18.413 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.297 0.226 19.817 1.00 1.00 N ATOM 0 H ASN A 21 -14.143 1.699 16.443 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.030 -0.141 16.031 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -14.628 -0.205 17.599 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -13.462 -1.512 17.649 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -12.806 0.675 20.591 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -14.171 -0.271 19.987 1.00 1.00 H new ATOM 269 N SER A 22 -14.898 -0.958 14.587 1.00 1.00 N ATOM 270 CA SER A 22 -15.492 -1.819 13.549 1.00 1.00 C ATOM 271 C SER A 22 -14.778 -1.650 12.200 1.00 1.00 C ATOM 272 O SER A 22 -14.447 -2.637 11.545 1.00 1.00 O ATOM 273 CB SER A 22 -16.987 -1.516 13.375 1.00 1.00 C ATOM 274 OG SER A 22 -17.700 -1.754 14.578 1.00 1.00 O ATOM 0 H SER A 22 -15.531 -0.236 14.931 1.00 1.00 H new ATOM 0 HA SER A 22 -15.370 -2.850 13.881 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.118 -0.478 13.071 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.396 -2.136 12.577 1.00 1.00 H new ATOM 0 HG SER A 22 -17.558 -1.007 15.196 1.00 1.00 H new ATOM 280 N LEU A 23 -14.487 -0.406 11.799 1.00 1.00 N ATOM 281 CA LEU A 23 -13.759 -0.062 10.573 1.00 1.00 C ATOM 282 C LEU A 23 -12.346 -0.665 10.580 1.00 1.00 C ATOM 283 O LEU A 23 -11.916 -1.228 9.571 1.00 1.00 O ATOM 284 CB LEU A 23 -13.740 1.474 10.456 1.00 1.00 C ATOM 285 CG LEU A 23 -13.090 2.045 9.185 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.894 1.702 7.930 1.00 1.00 C ATOM 287 CD2 LEU A 23 -13.030 3.566 9.311 1.00 1.00 C ATOM 0 H LEU A 23 -14.761 0.415 12.338 1.00 1.00 H new ATOM 0 HA LEU A 23 -14.257 -0.485 9.700 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.767 1.835 10.509 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -13.215 1.878 11.322 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.096 1.608 9.088 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -13.400 2.124 7.055 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.958 0.619 7.823 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.898 2.118 8.016 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.571 3.987 8.417 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -14.039 3.962 9.422 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.437 3.836 10.185 1.00 1.00 H new ATOM 299 N ILE A 24 -11.654 -0.594 11.724 1.00 1.00 N ATOM 300 CA ILE A 24 -10.333 -1.202 11.930 1.00 1.00 C ATOM 301 C ILE A 24 -10.432 -2.729 11.794 1.00 1.00 C ATOM 302 O ILE A 24 -9.648 -3.319 11.055 1.00 1.00 O ATOM 303 CB ILE A 24 -9.752 -0.779 13.304 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.312 0.703 13.277 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.562 -1.670 13.703 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.089 1.286 14.680 1.00 1.00 C ATOM 0 H ILE A 24 -12.003 -0.103 12.548 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.646 -0.844 11.163 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.540 -0.902 14.047 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.391 0.793 12.701 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -10.070 1.292 12.760 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.176 -1.349 14.671 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.890 -2.707 13.769 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.776 -1.585 12.952 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.782 2.328 14.596 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -10.016 1.226 15.251 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.311 0.718 15.190 1.00 1.00 H new ATOM 318 N ARG A 25 -11.393 -3.381 12.468 1.00 1.00 N ATOM 319 CA ARG A 25 -11.591 -4.844 12.413 1.00 1.00 C ATOM 320 C ARG A 25 -11.874 -5.357 10.999 1.00 1.00 C ATOM 321 O ARG A 25 -11.270 -6.346 10.585 1.00 1.00 O ATOM 322 CB ARG A 25 -12.707 -5.240 13.393 1.00 1.00 C ATOM 323 CG ARG A 25 -12.989 -6.749 13.468 1.00 1.00 C ATOM 324 CD ARG A 25 -11.851 -7.606 14.045 1.00 1.00 C ATOM 325 NE ARG A 25 -10.823 -7.979 13.047 1.00 1.00 N ATOM 326 CZ ARG A 25 -9.859 -8.868 13.229 1.00 1.00 C ATOM 327 NH1 ARG A 25 -9.721 -9.518 14.351 1.00 1.00 N ATOM 328 NH2 ARG A 25 -8.999 -9.134 12.290 1.00 1.00 N ATOM 0 H ARG A 25 -12.062 -2.905 13.073 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.658 -5.321 12.712 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.441 -4.884 14.388 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.624 -4.726 13.105 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.881 -6.905 14.074 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -13.219 -7.108 12.465 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -11.374 -7.060 14.859 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -12.274 -8.514 14.475 1.00 1.00 H new ATOM 0 HE ARG A 25 -10.861 -7.511 12.142 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -10.367 -9.348 15.122 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -8.967 -10.197 14.458 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -9.060 -8.654 11.392 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -8.264 -9.823 12.452 1.00 1.00 H new ATOM 342 N GLU A 26 -12.765 -4.692 10.265 1.00 1.00 N ATOM 343 CA GLU A 26 -13.152 -5.050 8.889 1.00 1.00 C ATOM 344 C GLU A 26 -12.038 -4.822 7.847 1.00 1.00 C ATOM 345 O GLU A 26 -12.110 -5.359 6.739 1.00 1.00 O ATOM 346 CB GLU A 26 -14.408 -4.254 8.487 1.00 1.00 C ATOM 347 CG GLU A 26 -15.686 -4.715 9.207 1.00 1.00 C ATOM 348 CD GLU A 26 -16.160 -6.097 8.712 1.00 1.00 C ATOM 349 OE1 GLU A 26 -16.892 -6.163 7.695 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.813 -7.127 9.340 1.00 1.00 O ATOM 0 H GLU A 26 -13.254 -3.867 10.614 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.352 -6.121 8.892 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.242 -3.198 8.700 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.555 -4.343 7.411 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.502 -4.758 10.281 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.477 -3.982 9.048 1.00 1.00 H new ATOM 357 N ASN A 27 -11.005 -4.043 8.190 1.00 1.00 N ATOM 358 CA ASN A 27 -9.866 -3.704 7.325 1.00 1.00 C ATOM 359 C ASN A 27 -8.518 -3.942 8.038 1.00 1.00 C ATOM 360 O ASN A 27 -7.544 -3.222 7.813 1.00 1.00 O ATOM 361 CB ASN A 27 -10.027 -2.250 6.855 1.00 1.00 C ATOM 362 CG ASN A 27 -11.299 -2.005 6.065 1.00 1.00 C ATOM 363 OD1 ASN A 27 -11.374 -2.241 4.867 1.00 1.00 O ATOM 364 ND2 ASN A 27 -12.337 -1.525 6.712 1.00 1.00 N ATOM 0 H ASN A 27 -10.936 -3.614 9.113 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.859 -4.360 6.455 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -10.017 -1.593 7.724 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -9.169 -1.979 6.240 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -13.210 -1.348 6.215 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -12.270 -1.330 7.711 1.00 1.00 H new ATOM 371 N SER A 28 -8.469 -4.933 8.936 1.00 1.00 N ATOM 372 CA SER A 28 -7.306 -5.269 9.783 1.00 1.00 C ATOM 373 C SER A 28 -5.974 -5.522 9.049 1.00 1.00 C ATOM 374 O SER A 28 -4.908 -5.507 9.669 1.00 1.00 O ATOM 375 CB SER A 28 -7.660 -6.431 10.716 1.00 1.00 C ATOM 376 OG SER A 28 -8.012 -7.612 10.004 1.00 1.00 O ATOM 0 H SER A 28 -9.265 -5.549 9.103 1.00 1.00 H new ATOM 0 HA SER A 28 -7.105 -4.364 10.356 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.811 -6.642 11.367 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.490 -6.137 11.359 1.00 1.00 H new ATOM 0 HG SER A 28 -7.394 -8.334 10.243 1.00 1.00 H new ATOM 382 N HIS A 29 -6.011 -5.712 7.727 1.00 1.00 N ATOM 383 CA HIS A 29 -4.850 -5.878 6.845 1.00 1.00 C ATOM 384 C HIS A 29 -4.193 -4.542 6.432 1.00 1.00 C ATOM 385 O HIS A 29 -3.066 -4.553 5.934 1.00 1.00 O ATOM 386 CB HIS A 29 -5.294 -6.671 5.603 1.00 1.00 C ATOM 387 CG HIS A 29 -6.355 -5.997 4.757 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.617 -5.577 5.200 1.00 1.00 N ATOM 389 CD2 HIS A 29 -6.250 -5.728 3.423 1.00 1.00 C ATOM 390 CE1 HIS A 29 -8.232 -5.058 4.123 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.434 -5.134 3.045 1.00 1.00 N ATOM 0 H HIS A 29 -6.893 -5.757 7.217 1.00 1.00 H new ATOM 0 HA HIS A 29 -4.084 -6.420 7.399 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.420 -6.860 4.980 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.671 -7.641 5.926 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.403 -5.940 2.787 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -9.227 -4.639 4.124 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.665 -4.808 2.107 1.00 1.00 H new ATOM 399 N ILE A 30 -4.875 -3.404 6.633 1.00 1.00 N ATOM 400 CA ILE A 30 -4.415 -2.045 6.265 1.00 1.00 C ATOM 401 C ILE A 30 -4.647 -0.970 7.345 1.00 1.00 C ATOM 402 O ILE A 30 -3.946 0.045 7.352 1.00 1.00 O ATOM 403 CB ILE A 30 -5.044 -1.595 4.923 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.591 -1.649 4.955 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.456 -2.398 3.753 1.00 1.00 C ATOM 406 CD1 ILE A 30 -7.283 -1.138 3.687 1.00 1.00 C ATOM 0 H ILE A 30 -5.796 -3.399 7.072 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.333 -2.133 6.162 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.784 -0.548 4.768 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.900 -2.680 5.129 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.943 -1.063 5.804 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.911 -2.067 2.819 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.379 -2.239 3.708 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.661 -3.458 3.900 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.364 -1.216 3.806 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -7.011 -0.096 3.519 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.968 -1.738 2.833 1.00 1.00 H new ATOM 418 N PHE A 31 -5.579 -1.183 8.277 1.00 1.00 N ATOM 419 CA PHE A 31 -5.891 -0.293 9.404 1.00 1.00 C ATOM 420 C PHE A 31 -5.662 -1.058 10.720 1.00 1.00 C ATOM 421 O PHE A 31 -5.877 -2.270 10.788 1.00 1.00 O ATOM 422 CB PHE A 31 -7.365 0.163 9.350 1.00 1.00 C ATOM 423 CG PHE A 31 -7.895 0.884 8.115 1.00 1.00 C ATOM 424 CD1 PHE A 31 -7.054 1.512 7.174 1.00 1.00 C ATOM 425 CD2 PHE A 31 -9.289 0.924 7.916 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.601 2.095 6.015 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.836 1.500 6.756 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.989 2.073 5.797 1.00 1.00 C ATOM 0 H PHE A 31 -6.165 -2.018 8.268 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.246 0.584 9.346 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.984 -0.722 9.499 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.533 0.818 10.205 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.988 1.546 7.342 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.946 0.507 8.664 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.951 2.561 5.290 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.905 1.501 6.604 1.00 1.00 H new ATOM 0 HZ PHE A 31 -9.402 2.496 4.893 1.00 1.00 H new ATOM 438 N SER A 32 -5.245 -0.363 11.778 1.00 1.00 N ATOM 439 CA SER A 32 -5.012 -0.949 13.105 1.00 1.00 C ATOM 440 C SER A 32 -5.222 0.064 14.238 1.00 1.00 C ATOM 441 O SER A 32 -5.329 1.272 14.015 1.00 1.00 O ATOM 442 CB SER A 32 -3.612 -1.576 13.184 1.00 1.00 C ATOM 443 OG SER A 32 -2.610 -0.584 13.252 1.00 1.00 O ATOM 0 H SER A 32 -5.056 0.639 11.740 1.00 1.00 H new ATOM 0 HA SER A 32 -5.755 -1.734 13.242 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.549 -2.221 14.061 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.444 -2.207 12.311 1.00 1.00 H new ATOM 0 HG SER A 32 -2.812 0.129 12.611 1.00 1.00 H new ATOM 449 N ASP A 33 -5.264 -0.440 15.473 1.00 1.00 N ATOM 450 CA ASP A 33 -5.437 0.343 16.703 1.00 1.00 C ATOM 451 C ASP A 33 -4.313 1.374 16.959 1.00 1.00 C ATOM 452 O ASP A 33 -4.511 2.316 17.729 1.00 1.00 O ATOM 453 CB ASP A 33 -5.518 -0.660 17.864 1.00 1.00 C ATOM 454 CG ASP A 33 -5.918 -0.007 19.193 1.00 1.00 C ATOM 455 OD1 ASP A 33 -7.057 0.509 19.275 1.00 1.00 O ATOM 456 OD2 ASP A 33 -5.124 -0.056 20.164 1.00 1.00 O ATOM 0 H ASP A 33 -5.176 -1.440 15.653 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.345 0.939 16.607 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -6.240 -1.437 17.616 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -4.551 -1.149 17.982 1.00 1.00 H new ATOM 461 N THR A 34 -3.140 1.206 16.329 1.00 1.00 N ATOM 462 CA THR A 34 -1.947 2.057 16.521 1.00 1.00 C ATOM 463 C THR A 34 -1.266 2.540 15.230 1.00 1.00 C ATOM 464 O THR A 34 -0.259 3.246 15.310 1.00 1.00 O ATOM 465 CB THR A 34 -0.904 1.348 17.406 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.543 0.102 16.841 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.413 1.089 18.825 1.00 1.00 C ATOM 0 H THR A 34 -2.987 0.457 15.654 1.00 1.00 H new ATOM 0 HA THR A 34 -2.334 2.951 17.010 1.00 1.00 H new ATOM 0 HB THR A 34 -0.046 2.018 17.458 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.121 -0.336 17.413 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.637 0.588 19.404 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.665 2.037 19.300 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.300 0.457 18.784 1.00 1.00 H new ATOM 475 N GLN A 35 -1.782 2.214 14.038 1.00 1.00 N ATOM 476 CA GLN A 35 -1.208 2.639 12.750 1.00 1.00 C ATOM 477 C GLN A 35 -2.206 2.501 11.583 1.00 1.00 C ATOM 478 O GLN A 35 -2.974 1.540 11.527 1.00 1.00 O ATOM 479 CB GLN A 35 0.033 1.759 12.457 1.00 1.00 C ATOM 480 CG GLN A 35 0.889 2.222 11.265 1.00 1.00 C ATOM 481 CD GLN A 35 2.000 1.225 10.945 1.00 1.00 C ATOM 482 OE1 GLN A 35 1.765 0.139 10.429 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.249 1.543 11.213 1.00 1.00 N ATOM 0 H GLN A 35 -2.620 1.641 13.937 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.945 3.694 12.830 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.661 1.733 13.348 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -0.300 0.738 12.272 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.253 2.351 10.389 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.327 3.195 11.488 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.465 2.443 11.643 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.000 0.890 10.991 1.00 1.00 H new ATOM 492 N CYS A 36 -2.117 3.398 10.599 1.00 1.00 N ATOM 493 CA CYS A 36 -2.862 3.325 9.336 1.00 1.00 C ATOM 494 C CYS A 36 -1.843 3.185 8.195 1.00 1.00 C ATOM 495 O CYS A 36 -1.048 4.098 7.957 1.00 1.00 O ATOM 496 CB CYS A 36 -3.726 4.574 9.137 1.00 1.00 C ATOM 497 SG CYS A 36 -4.697 4.523 7.608 1.00 1.00 S ATOM 0 H CYS A 36 -1.511 4.216 10.658 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.534 2.467 9.350 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.400 4.682 9.986 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -3.085 5.455 9.125 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.560 5.647 6.969 1.00 1.00 H new ATOM 502 N LYS A 37 -1.842 2.047 7.489 1.00 1.00 N ATOM 503 CA LYS A 37 -0.879 1.758 6.410 1.00 1.00 C ATOM 504 C LYS A 37 -1.198 2.476 5.097 1.00 1.00 C ATOM 505 O LYS A 37 -0.271 2.894 4.406 1.00 1.00 O ATOM 506 CB LYS A 37 -0.769 0.241 6.190 1.00 1.00 C ATOM 507 CG LYS A 37 -0.339 -0.487 7.475 1.00 1.00 C ATOM 508 CD LYS A 37 -0.026 -1.958 7.181 1.00 1.00 C ATOM 509 CE LYS A 37 0.265 -2.769 8.453 1.00 1.00 C ATOM 510 NZ LYS A 37 1.531 -2.362 9.119 1.00 1.00 N ATOM 0 H LYS A 37 -2.512 1.294 7.649 1.00 1.00 H new ATOM 0 HA LYS A 37 0.083 2.150 6.739 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.730 -0.149 5.854 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -0.048 0.039 5.398 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.539 -0.000 7.899 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.132 -0.420 8.220 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -0.869 -2.406 6.654 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.834 -2.016 6.514 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -0.563 -2.649 9.152 1.00 1.00 H new ATOM 0 HE3 LYS A 37 0.317 -3.828 8.199 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 1.765 -3.045 9.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 2.300 -2.339 8.419 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.415 -1.417 9.537 1.00 1.00 H new ATOM 524 N VAL A 38 -2.479 2.684 4.769 1.00 1.00 N ATOM 525 CA VAL A 38 -2.891 3.422 3.549 1.00 1.00 C ATOM 526 C VAL A 38 -2.359 4.861 3.571 1.00 1.00 C ATOM 527 O VAL A 38 -1.894 5.377 2.556 1.00 1.00 O ATOM 528 CB VAL A 38 -4.423 3.426 3.355 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.809 4.016 1.996 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.994 2.007 3.402 1.00 1.00 C ATOM 0 H VAL A 38 -3.262 2.351 5.332 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.453 2.894 2.702 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.830 4.030 4.166 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.894 4.005 1.889 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.448 5.042 1.929 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.360 3.421 1.200 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -6.074 2.045 3.262 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.546 1.408 2.609 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.769 1.556 4.368 1.00 1.00 H new ATOM 540 N CYS A 39 -2.378 5.489 4.749 1.00 1.00 N ATOM 541 CA CYS A 39 -1.860 6.833 4.991 1.00 1.00 C ATOM 542 C CYS A 39 -0.408 6.825 5.519 1.00 1.00 C ATOM 543 O CYS A 39 0.161 7.892 5.757 1.00 1.00 O ATOM 544 CB CYS A 39 -2.813 7.501 5.985 1.00 1.00 C ATOM 545 SG CYS A 39 -4.529 7.586 5.405 1.00 1.00 S ATOM 0 H CYS A 39 -2.768 5.059 5.588 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.817 7.388 4.054 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.784 6.953 6.927 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.458 8.511 6.192 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.326 7.715 6.424 1.00 1.00 H new ATOM 550 N SER A 40 0.180 5.632 5.711 1.00 1.00 N ATOM 551 CA SER A 40 1.519 5.363 6.267 1.00 1.00 C ATOM 552 C SER A 40 1.859 6.275 7.456 1.00 1.00 C ATOM 553 O SER A 40 2.860 6.998 7.457 1.00 1.00 O ATOM 554 CB SER A 40 2.588 5.393 5.164 1.00 1.00 C ATOM 555 OG SER A 40 2.434 4.297 4.274 1.00 1.00 O ATOM 0 H SER A 40 -0.302 4.768 5.464 1.00 1.00 H new ATOM 0 HA SER A 40 1.508 4.352 6.675 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.517 6.329 4.609 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.580 5.364 5.614 1.00 1.00 H new ATOM 0 HG SER A 40 1.541 3.908 4.385 1.00 1.00 H new ATOM 561 N ALA A 41 0.983 6.250 8.463 1.00 1.00 N ATOM 562 CA ALA A 41 1.061 7.087 9.663 1.00 1.00 C ATOM 563 C ALA A 41 0.765 6.303 10.951 1.00 1.00 C ATOM 564 O ALA A 41 -0.100 5.424 10.985 1.00 1.00 O ATOM 565 CB ALA A 41 0.080 8.255 9.491 1.00 1.00 C ATOM 0 H ALA A 41 0.175 5.628 8.466 1.00 1.00 H new ATOM 0 HA ALA A 41 2.081 7.456 9.770 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.118 8.895 10.372 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.355 8.834 8.610 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.931 7.866 9.369 1.00 1.00 H new ATOM 571 N VAL A 42 1.479 6.646 12.028 1.00 1.00 N ATOM 572 CA VAL A 42 1.332 6.038 13.361 1.00 1.00 C ATOM 573 C VAL A 42 0.252 6.781 14.158 1.00 1.00 C ATOM 574 O VAL A 42 0.080 7.995 14.032 1.00 1.00 O ATOM 575 CB VAL A 42 2.685 6.046 14.109 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.613 5.403 15.501 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.750 5.269 13.322 1.00 1.00 C ATOM 0 H VAL A 42 2.194 7.372 12.000 1.00 1.00 H new ATOM 0 HA VAL A 42 1.020 5.000 13.248 1.00 1.00 H new ATOM 0 HB VAL A 42 2.944 7.100 14.211 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.596 5.442 15.971 1.00 1.00 H new ATOM 0 HG12 VAL A 42 1.895 5.946 16.116 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.297 4.364 15.406 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.693 5.289 13.868 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.426 4.236 13.194 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.888 5.730 12.344 1.00 1.00 H new ATOM 587 N LEU A 43 -0.472 6.038 14.995 1.00 1.00 N ATOM 588 CA LEU A 43 -1.589 6.482 15.831 1.00 1.00 C ATOM 589 C LEU A 43 -1.225 6.217 17.304 1.00 1.00 C ATOM 590 O LEU A 43 -1.680 5.257 17.924 1.00 1.00 O ATOM 591 CB LEU A 43 -2.885 5.784 15.355 1.00 1.00 C ATOM 592 CG LEU A 43 -3.165 5.890 13.840 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.364 5.031 13.449 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.434 7.328 13.406 1.00 1.00 C ATOM 0 H LEU A 43 -0.281 5.043 15.115 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.776 7.552 15.741 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.833 4.730 15.627 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.729 6.211 15.896 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.268 5.533 13.334 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.542 5.121 12.378 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -4.161 3.989 13.696 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -5.246 5.368 13.993 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.626 7.354 12.333 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.303 7.713 13.940 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.565 7.946 13.635 1.00 1.00 H new ATOM 606 N ILE A 44 -0.319 7.052 17.827 1.00 1.00 N ATOM 607 CA ILE A 44 0.299 6.971 19.170 1.00 1.00 C ATOM 608 C ILE A 44 -0.656 6.857 20.377 1.00 1.00 C ATOM 609 O ILE A 44 -0.221 6.464 21.463 1.00 1.00 O ATOM 610 CB ILE A 44 1.287 8.145 19.378 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.573 9.519 19.335 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.435 8.061 18.355 1.00 1.00 C ATOM 613 CD1 ILE A 44 1.483 10.703 19.684 1.00 1.00 C ATOM 0 H ILE A 44 0.028 7.852 17.298 1.00 1.00 H new ATOM 0 HA ILE A 44 0.816 6.011 19.158 1.00 1.00 H new ATOM 0 HB ILE A 44 1.714 8.055 20.377 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.160 9.672 18.338 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.268 9.503 20.029 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.123 8.892 18.511 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.968 7.119 18.483 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.027 8.113 17.345 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.911 11.629 19.632 1.00 1.00 H new ATOM 0 HD12 ILE A 44 1.876 10.575 20.693 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.310 10.747 18.976 1.00 1.00 H new ATOM 625 N SER A 45 -1.940 7.182 20.212 1.00 1.00 N ATOM 626 CA SER A 45 -2.978 7.101 21.249 1.00 1.00 C ATOM 627 C SER A 45 -4.361 6.939 20.611 1.00 1.00 C ATOM 628 O SER A 45 -4.553 7.263 19.436 1.00 1.00 O ATOM 629 CB SER A 45 -2.945 8.370 22.113 1.00 1.00 C ATOM 630 OG SER A 45 -3.794 8.230 23.241 1.00 1.00 O ATOM 0 H SER A 45 -2.302 7.522 19.321 1.00 1.00 H new ATOM 0 HA SER A 45 -2.782 6.231 21.876 1.00 1.00 H new ATOM 0 HB2 SER A 45 -1.924 8.566 22.442 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.259 9.229 21.519 1.00 1.00 H new ATOM 0 HG SER A 45 -3.759 9.047 23.780 1.00 1.00 H new ATOM 636 N GLU A 46 -5.351 6.478 21.379 1.00 1.00 N ATOM 637 CA GLU A 46 -6.733 6.327 20.911 1.00 1.00 C ATOM 638 C GLU A 46 -7.309 7.652 20.394 1.00 1.00 C ATOM 639 O GLU A 46 -7.961 7.652 19.357 1.00 1.00 O ATOM 640 CB GLU A 46 -7.592 5.712 22.023 1.00 1.00 C ATOM 641 CG GLU A 46 -9.031 5.467 21.554 1.00 1.00 C ATOM 642 CD GLU A 46 -9.689 4.341 22.361 1.00 1.00 C ATOM 643 OE1 GLU A 46 -10.267 4.616 23.440 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.655 3.183 21.881 1.00 1.00 O ATOM 0 H GLU A 46 -5.216 6.197 22.350 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.741 5.646 20.060 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.149 4.770 22.347 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.598 6.376 22.888 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.613 6.383 21.660 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.033 5.209 20.495 1.00 1.00 H new ATOM 651 N SER A 47 -7.021 8.792 21.032 1.00 1.00 N ATOM 652 CA SER A 47 -7.474 10.106 20.546 1.00 1.00 C ATOM 653 C SER A 47 -6.961 10.409 19.130 1.00 1.00 C ATOM 654 O SER A 47 -7.731 10.854 18.275 1.00 1.00 O ATOM 655 CB SER A 47 -7.065 11.215 21.517 1.00 1.00 C ATOM 656 OG SER A 47 -5.663 11.195 21.753 1.00 1.00 O ATOM 0 H SER A 47 -6.473 8.834 21.891 1.00 1.00 H new ATOM 0 HA SER A 47 -8.562 10.070 20.494 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.355 12.184 21.111 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.598 11.092 22.460 1.00 1.00 H new ATOM 0 HG SER A 47 -5.426 11.914 22.375 1.00 1.00 H new ATOM 662 N GLN A 48 -5.688 10.110 18.844 1.00 1.00 N ATOM 663 CA GLN A 48 -5.087 10.251 17.526 1.00 1.00 C ATOM 664 C GLN A 48 -5.745 9.291 16.523 1.00 1.00 C ATOM 665 O GLN A 48 -6.047 9.695 15.401 1.00 1.00 O ATOM 666 CB GLN A 48 -3.582 9.990 17.681 1.00 1.00 C ATOM 667 CG GLN A 48 -2.773 10.345 16.433 1.00 1.00 C ATOM 668 CD GLN A 48 -2.875 11.818 16.029 1.00 1.00 C ATOM 669 OE1 GLN A 48 -3.182 12.162 14.896 1.00 1.00 O ATOM 670 NE2 GLN A 48 -2.641 12.744 16.937 1.00 1.00 N ATOM 0 H GLN A 48 -5.037 9.755 19.545 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.243 11.254 17.128 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.206 10.567 18.525 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.426 8.938 17.919 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.726 10.097 16.608 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.113 9.726 15.603 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -2.384 12.474 17.886 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -2.717 13.731 16.690 1.00 1.00 H new ATOM 679 N LYS A 49 -6.017 8.039 16.927 1.00 1.00 N ATOM 680 CA LYS A 49 -6.702 7.035 16.091 1.00 1.00 C ATOM 681 C LYS A 49 -8.122 7.498 15.725 1.00 1.00 C ATOM 682 O LYS A 49 -8.492 7.482 14.551 1.00 1.00 O ATOM 683 CB LYS A 49 -6.624 5.643 16.781 1.00 1.00 C ATOM 684 CG LYS A 49 -7.963 4.978 17.149 1.00 1.00 C ATOM 685 CD LYS A 49 -7.812 3.672 17.942 1.00 1.00 C ATOM 686 CE LYS A 49 -9.229 3.211 18.297 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.270 2.125 19.303 1.00 1.00 N ATOM 0 H LYS A 49 -5.766 7.691 17.852 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.194 6.927 15.132 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -6.078 4.967 16.123 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -6.034 5.747 17.692 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.557 5.680 17.734 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.520 4.774 16.234 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.295 2.916 17.350 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.219 3.832 18.843 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.795 4.063 18.673 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.729 2.872 17.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.050 1.474 19.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.370 1.604 19.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.419 2.533 20.248 1.00 1.00 H new ATOM 701 N LEU A 50 -8.892 7.972 16.709 1.00 1.00 N ATOM 702 CA LEU A 50 -10.257 8.472 16.528 1.00 1.00 C ATOM 703 C LEU A 50 -10.287 9.687 15.591 1.00 1.00 C ATOM 704 O LEU A 50 -11.153 9.761 14.720 1.00 1.00 O ATOM 705 CB LEU A 50 -10.898 8.801 17.896 1.00 1.00 C ATOM 706 CG LEU A 50 -11.208 7.597 18.812 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.938 8.067 20.070 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.082 6.532 18.160 1.00 1.00 C ATOM 0 H LEU A 50 -8.575 8.020 17.677 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.847 7.686 16.057 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.232 9.477 18.432 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.826 9.343 17.718 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.238 7.154 19.038 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.152 7.210 20.708 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.311 8.775 20.611 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.873 8.552 19.789 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.254 5.720 18.867 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.037 6.971 17.872 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.580 6.142 17.274 1.00 1.00 H new ATOM 720 N ALA A 51 -9.345 10.621 15.734 1.00 1.00 N ATOM 721 CA ALA A 51 -9.255 11.791 14.864 1.00 1.00 C ATOM 722 C ALA A 51 -8.813 11.425 13.436 1.00 1.00 C ATOM 723 O ALA A 51 -9.405 11.910 12.469 1.00 1.00 O ATOM 724 CB ALA A 51 -8.301 12.804 15.507 1.00 1.00 C ATOM 0 H ALA A 51 -8.625 10.586 16.456 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.246 12.233 14.762 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.222 13.685 14.870 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.685 13.096 16.484 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.316 12.352 15.625 1.00 1.00 H new ATOM 730 N HIS A 52 -7.800 10.565 13.284 1.00 1.00 N ATOM 731 CA HIS A 52 -7.287 10.159 11.975 1.00 1.00 C ATOM 732 C HIS A 52 -8.340 9.441 11.120 1.00 1.00 C ATOM 733 O HIS A 52 -8.571 9.842 9.980 1.00 1.00 O ATOM 734 CB HIS A 52 -6.055 9.261 12.164 1.00 1.00 C ATOM 735 CG HIS A 52 -5.437 8.841 10.854 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.380 9.456 10.219 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.880 7.842 10.025 1.00 1.00 C ATOM 738 CE1 HIS A 52 -4.208 8.861 9.028 1.00 1.00 C ATOM 739 NE2 HIS A 52 -5.105 7.876 8.862 1.00 1.00 N ATOM 0 H HIS A 52 -7.313 10.131 14.068 1.00 1.00 H new ATOM 0 HA HIS A 52 -7.012 11.066 11.436 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.311 9.791 12.759 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.340 8.373 12.728 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.825 10.228 10.589 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.684 7.152 10.234 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -3.454 9.136 8.305 1.00 1.00 H new ATOM 747 N TYR A 53 -9.005 8.410 11.656 1.00 1.00 N ATOM 748 CA TYR A 53 -10.004 7.648 10.894 1.00 1.00 C ATOM 749 C TYR A 53 -11.250 8.468 10.514 1.00 1.00 C ATOM 750 O TYR A 53 -11.908 8.135 9.528 1.00 1.00 O ATOM 751 CB TYR A 53 -10.349 6.338 11.624 1.00 1.00 C ATOM 752 CG TYR A 53 -9.214 5.319 11.618 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.721 4.825 10.394 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.642 4.867 12.823 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.643 3.917 10.372 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.564 3.960 12.808 1.00 1.00 C ATOM 757 CZ TYR A 53 -7.057 3.487 11.580 1.00 1.00 C ATOM 758 OH TYR A 53 -6.013 2.618 11.563 1.00 1.00 O ATOM 0 H TYR A 53 -8.870 8.084 12.613 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.550 7.391 9.937 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.616 6.566 12.656 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -11.228 5.893 11.158 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -9.172 5.144 9.466 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -9.033 5.219 13.766 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -7.266 3.550 9.429 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -7.126 3.627 13.737 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.861 2.272 12.467 1.00 1.00 H new ATOM 768 N GLN A 54 -11.559 9.554 11.238 1.00 1.00 N ATOM 769 CA GLN A 54 -12.681 10.461 10.939 1.00 1.00 C ATOM 770 C GLN A 54 -12.284 11.659 10.046 1.00 1.00 C ATOM 771 O GLN A 54 -13.162 12.345 9.518 1.00 1.00 O ATOM 772 CB GLN A 54 -13.302 10.959 12.257 1.00 1.00 C ATOM 773 CG GLN A 54 -14.005 9.829 13.025 1.00 1.00 C ATOM 774 CD GLN A 54 -14.632 10.313 14.329 1.00 1.00 C ATOM 775 OE1 GLN A 54 -15.832 10.526 14.445 1.00 1.00 O ATOM 776 NE2 GLN A 54 -13.842 10.498 15.362 1.00 1.00 N ATOM 0 H GLN A 54 -11.028 9.833 12.063 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.411 9.888 10.368 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.523 11.393 12.884 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -14.018 11.752 12.043 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.778 9.391 12.394 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -13.286 9.039 13.242 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -12.841 10.323 15.276 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.230 10.816 16.250 1.00 1.00 H new ATOM 785 N SER A 55 -10.985 11.927 9.863 1.00 1.00 N ATOM 786 CA SER A 55 -10.473 13.037 9.044 1.00 1.00 C ATOM 787 C SER A 55 -10.717 12.850 7.540 1.00 1.00 C ATOM 788 O SER A 55 -10.590 11.749 7.000 1.00 1.00 O ATOM 789 CB SER A 55 -8.969 13.201 9.285 1.00 1.00 C ATOM 790 OG SER A 55 -8.465 14.280 8.514 1.00 1.00 O ATOM 0 H SER A 55 -10.245 11.368 10.288 1.00 1.00 H new ATOM 0 HA SER A 55 -11.022 13.927 9.352 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.780 13.381 10.343 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.448 12.281 9.020 1.00 1.00 H new ATOM 0 HG SER A 55 -7.504 14.377 8.677 1.00 1.00 H new ATOM 796 N ARG A 56 -10.992 13.954 6.828 1.00 1.00 N ATOM 797 CA ARG A 56 -11.169 13.981 5.360 1.00 1.00 C ATOM 798 C ARG A 56 -9.917 13.502 4.610 1.00 1.00 C ATOM 799 O ARG A 56 -10.030 12.936 3.522 1.00 1.00 O ATOM 800 CB ARG A 56 -11.574 15.394 4.898 1.00 1.00 C ATOM 801 CG ARG A 56 -12.900 15.898 5.494 1.00 1.00 C ATOM 802 CD ARG A 56 -14.123 15.099 5.026 1.00 1.00 C ATOM 803 NE ARG A 56 -15.363 15.620 5.634 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.601 15.251 5.350 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.869 14.364 4.433 1.00 1.00 N ATOM 806 NH2 ARG A 56 -17.606 15.775 5.990 1.00 1.00 N ATOM 0 H ARG A 56 -11.100 14.872 7.260 1.00 1.00 H new ATOM 0 HA ARG A 56 -11.969 13.282 5.116 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -10.781 16.092 5.164 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.652 15.400 3.811 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.841 15.853 6.581 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.035 16.946 5.225 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.199 15.147 3.940 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -13.998 14.049 5.290 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.254 16.340 6.348 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -16.111 13.929 3.907 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -17.837 14.105 4.242 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.441 16.474 6.714 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -18.559 15.487 5.767 1.00 1.00 H new ATOM 820 N LYS A 57 -8.727 13.676 5.205 1.00 1.00 N ATOM 821 CA LYS A 57 -7.438 13.210 4.655 1.00 1.00 C ATOM 822 C LYS A 57 -7.422 11.688 4.471 1.00 1.00 C ATOM 823 O LYS A 57 -6.931 11.195 3.454 1.00 1.00 O ATOM 824 CB LYS A 57 -6.281 13.657 5.572 1.00 1.00 C ATOM 825 CG LYS A 57 -6.191 15.176 5.822 1.00 1.00 C ATOM 826 CD LYS A 57 -6.021 16.052 4.570 1.00 1.00 C ATOM 827 CE LYS A 57 -4.711 15.752 3.827 1.00 1.00 C ATOM 828 NZ LYS A 57 -4.496 16.697 2.699 1.00 1.00 N ATOM 0 H LYS A 57 -8.628 14.154 6.101 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.308 13.660 3.671 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.384 13.152 6.533 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -5.341 13.321 5.134 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -7.094 15.493 6.344 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -5.352 15.366 6.492 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -6.864 15.890 3.898 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -6.041 17.103 4.858 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -3.874 15.817 4.522 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -4.732 14.730 3.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -3.603 16.467 2.219 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -5.283 16.617 2.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -4.452 17.670 3.065 1.00 1.00 H new ATOM 842 N HIS A 58 -8.013 10.950 5.418 1.00 1.00 N ATOM 843 CA HIS A 58 -8.144 9.491 5.353 1.00 1.00 C ATOM 844 C HIS A 58 -9.054 9.075 4.192 1.00 1.00 C ATOM 845 O HIS A 58 -8.680 8.200 3.416 1.00 1.00 O ATOM 846 CB HIS A 58 -8.649 8.954 6.699 1.00 1.00 C ATOM 847 CG HIS A 58 -8.690 7.448 6.765 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.584 6.618 6.965 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.805 6.675 6.612 1.00 1.00 C ATOM 850 CE1 HIS A 58 -8.061 5.365 6.932 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.389 5.367 6.727 1.00 1.00 N ATOM 0 H HIS A 58 -8.419 11.355 6.262 1.00 1.00 H new ATOM 0 HA HIS A 58 -7.165 9.052 5.160 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -8.006 9.328 7.495 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -9.649 9.346 6.886 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.813 7.021 6.436 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.460 4.476 7.054 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -9.986 4.542 6.667 1.00 1.00 H new ATOM 859 N ALA A 59 -10.206 9.735 4.005 1.00 1.00 N ATOM 860 CA ALA A 59 -11.102 9.461 2.876 1.00 1.00 C ATOM 861 C ALA A 59 -10.409 9.680 1.518 1.00 1.00 C ATOM 862 O ALA A 59 -10.552 8.854 0.616 1.00 1.00 O ATOM 863 CB ALA A 59 -12.371 10.313 2.995 1.00 1.00 C ATOM 0 H ALA A 59 -10.540 10.469 4.629 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.379 8.408 2.917 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.030 10.103 2.153 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.884 10.073 3.926 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.102 11.369 2.991 1.00 1.00 H new ATOM 869 N ASN A 60 -9.621 10.754 1.369 1.00 1.00 N ATOM 870 CA ASN A 60 -8.866 11.028 0.139 1.00 1.00 C ATOM 871 C ASN A 60 -7.853 9.903 -0.166 1.00 1.00 C ATOM 872 O ASN A 60 -7.805 9.391 -1.289 1.00 1.00 O ATOM 873 CB ASN A 60 -8.190 12.403 0.271 1.00 1.00 C ATOM 874 CG ASN A 60 -7.476 12.810 -1.010 1.00 1.00 C ATOM 875 OD1 ASN A 60 -8.055 12.856 -2.085 1.00 1.00 O ATOM 876 ND2 ASN A 60 -6.199 13.115 -0.943 1.00 1.00 N ATOM 0 H ASN A 60 -9.489 11.456 2.097 1.00 1.00 H new ATOM 0 HA ASN A 60 -9.548 11.053 -0.711 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -8.940 13.153 0.523 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -7.475 12.378 1.093 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -5.695 13.389 -1.787 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -5.712 13.078 -0.047 1.00 1.00 H new ATOM 883 N LYS A 61 -7.081 9.471 0.844 1.00 1.00 N ATOM 884 CA LYS A 61 -6.129 8.350 0.731 1.00 1.00 C ATOM 885 C LYS A 61 -6.841 7.030 0.411 1.00 1.00 C ATOM 886 O LYS A 61 -6.392 6.292 -0.466 1.00 1.00 O ATOM 887 CB LYS A 61 -5.305 8.247 2.028 1.00 1.00 C ATOM 888 CG LYS A 61 -4.106 9.208 2.072 1.00 1.00 C ATOM 889 CD LYS A 61 -2.985 8.774 1.109 1.00 1.00 C ATOM 890 CE LYS A 61 -1.653 9.478 1.399 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.686 10.929 1.073 1.00 1.00 N ATOM 0 H LYS A 61 -7.099 9.893 1.772 1.00 1.00 H new ATOM 0 HA LYS A 61 -5.455 8.547 -0.102 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.955 8.451 2.879 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.945 7.224 2.140 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.437 10.214 1.813 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -3.714 9.253 3.088 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -2.845 7.695 1.182 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.289 8.987 0.084 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -1.402 9.352 2.452 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -0.861 8.999 0.824 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.762 11.354 1.288 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -1.897 11.053 0.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -2.422 11.396 1.640 1.00 1.00 H new ATOM 905 N VAL A 62 -7.973 6.751 1.065 1.00 1.00 N ATOM 906 CA VAL A 62 -8.802 5.566 0.791 1.00 1.00 C ATOM 907 C VAL A 62 -9.321 5.591 -0.648 1.00 1.00 C ATOM 908 O VAL A 62 -9.221 4.568 -1.320 1.00 1.00 O ATOM 909 CB VAL A 62 -9.941 5.420 1.822 1.00 1.00 C ATOM 910 CG1 VAL A 62 -11.005 4.390 1.416 1.00 1.00 C ATOM 911 CG2 VAL A 62 -9.361 4.958 3.165 1.00 1.00 C ATOM 0 H VAL A 62 -8.345 7.344 1.806 1.00 1.00 H new ATOM 0 HA VAL A 62 -8.176 4.680 0.896 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.414 6.400 1.886 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -11.775 4.339 2.186 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -11.457 4.688 0.470 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -10.539 3.411 1.303 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -10.166 4.855 3.893 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -8.864 3.997 3.035 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -8.640 5.694 3.523 1.00 1.00 H new ATOM 1397 N SER A 94 -25.012 -8.615 -18.465 1.00 1.00 N ATOM 1398 CA SER A 94 -24.254 -8.007 -19.577 1.00 1.00 C ATOM 1399 C SER A 94 -23.362 -9.048 -20.278 1.00 1.00 C ATOM 1400 O SER A 94 -22.138 -8.928 -20.322 1.00 1.00 O ATOM 1401 CB SER A 94 -23.448 -6.815 -19.038 1.00 1.00 C ATOM 1402 OG SER A 94 -24.329 -5.812 -18.551 1.00 1.00 O ATOM 0 HA SER A 94 -24.945 -7.642 -20.336 1.00 1.00 H new ATOM 0 HB2 SER A 94 -22.784 -7.146 -18.240 1.00 1.00 H new ATOM 0 HB3 SER A 94 -22.818 -6.405 -19.827 1.00 1.00 H new ATOM 0 HG SER A 94 -25.160 -6.229 -18.240 1.00 1.00 H new ATOM 1408 N LYS A 95 -23.988 -10.116 -20.792 1.00 1.00 N ATOM 1409 CA LYS A 95 -23.341 -11.275 -21.442 1.00 1.00 C ATOM 1410 C LYS A 95 -24.034 -11.765 -22.720 1.00 1.00 C ATOM 1411 O LYS A 95 -23.418 -12.471 -23.518 1.00 1.00 O ATOM 1412 CB LYS A 95 -23.293 -12.447 -20.443 1.00 1.00 C ATOM 1413 CG LYS A 95 -22.569 -12.128 -19.124 1.00 1.00 C ATOM 1414 CD LYS A 95 -22.296 -13.422 -18.340 1.00 1.00 C ATOM 1415 CE LYS A 95 -21.817 -13.190 -16.899 1.00 1.00 C ATOM 1416 NZ LYS A 95 -20.626 -12.304 -16.822 1.00 1.00 N ATOM 0 H LYS A 95 -25.004 -10.204 -20.767 1.00 1.00 H new ATOM 0 HA LYS A 95 -22.349 -10.933 -21.737 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -24.313 -12.758 -20.217 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -22.799 -13.294 -20.919 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -21.630 -11.615 -19.331 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -23.176 -11.451 -18.522 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -23.207 -14.020 -18.317 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -21.545 -14.006 -18.872 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -22.628 -12.751 -16.318 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -21.580 -14.150 -16.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -20.327 -12.210 -15.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -19.851 -12.715 -17.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -20.866 -11.366 -17.201 1.00 1.00 H new ATOM 1430 N CYS A 96 -25.300 -11.403 -22.920 1.00 1.00 N ATOM 1431 CA CYS A 96 -26.128 -11.811 -24.060 1.00 1.00 C ATOM 1432 C CYS A 96 -27.071 -10.683 -24.519 1.00 1.00 C ATOM 1433 O CYS A 96 -27.376 -9.757 -23.765 1.00 1.00 O ATOM 1434 CB CYS A 96 -26.882 -13.081 -23.626 1.00 1.00 C ATOM 1435 SG CYS A 96 -27.884 -13.802 -24.961 1.00 1.00 S ATOM 0 H CYS A 96 -25.798 -10.795 -22.270 1.00 1.00 H new ATOM 0 HA CYS A 96 -25.511 -12.024 -24.933 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -26.163 -13.823 -23.277 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -27.529 -12.842 -22.782 1.00 1.00 H new ATOM 0 HG CYS A 96 -27.354 -13.504 -26.110 1.00 1.00 H new ATOM 1441 N CYS A 97 -27.536 -10.766 -25.767 1.00 1.00 N ATOM 1442 CA CYS A 97 -28.450 -9.818 -26.392 1.00 1.00 C ATOM 1443 C CYS A 97 -29.469 -10.554 -27.286 1.00 1.00 C ATOM 1444 O CYS A 97 -29.229 -10.714 -28.487 1.00 1.00 O ATOM 1445 CB CYS A 97 -27.617 -8.814 -27.200 1.00 1.00 C ATOM 1446 SG CYS A 97 -28.604 -7.571 -28.063 1.00 1.00 S ATOM 0 H CYS A 97 -27.273 -11.528 -26.392 1.00 1.00 H new ATOM 0 HA CYS A 97 -29.022 -9.287 -25.631 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -26.922 -8.310 -26.529 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -27.017 -9.358 -27.930 1.00 1.00 H new ATOM 0 HG CYS A 97 -27.816 -6.694 -28.611 1.00 1.00 H new ATOM 1451 N PRO A 98 -30.622 -10.999 -26.747 1.00 1.00 N ATOM 1452 CA PRO A 98 -31.668 -11.684 -27.518 1.00 1.00 C ATOM 1453 C PRO A 98 -32.244 -10.853 -28.681 1.00 1.00 C ATOM 1454 O PRO A 98 -32.678 -11.423 -29.682 1.00 1.00 O ATOM 1455 CB PRO A 98 -32.770 -12.031 -26.508 1.00 1.00 C ATOM 1456 CG PRO A 98 -32.062 -11.999 -25.155 1.00 1.00 C ATOM 1457 CD PRO A 98 -31.007 -10.913 -25.344 1.00 1.00 C ATOM 0 HA PRO A 98 -31.240 -12.562 -28.001 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -33.587 -11.311 -26.547 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -33.200 -13.012 -26.709 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -32.750 -11.756 -24.345 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -31.611 -12.961 -24.913 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -31.408 -9.928 -25.105 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -30.151 -11.077 -24.689 1.00 1.00 H new ATOM 1465 N VAL A 99 -32.221 -9.514 -28.579 1.00 1.00 N ATOM 1466 CA VAL A 99 -32.694 -8.581 -29.628 1.00 1.00 C ATOM 1467 C VAL A 99 -31.927 -8.781 -30.946 1.00 1.00 C ATOM 1468 O VAL A 99 -32.505 -8.659 -32.028 1.00 1.00 O ATOM 1469 CB VAL A 99 -32.577 -7.110 -29.162 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -33.159 -6.122 -30.182 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -33.322 -6.868 -27.841 1.00 1.00 C ATOM 0 H VAL A 99 -31.867 -9.035 -27.751 1.00 1.00 H new ATOM 0 HA VAL A 99 -33.745 -8.805 -29.807 1.00 1.00 H new ATOM 0 HB VAL A 99 -31.507 -6.940 -29.042 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -33.051 -5.105 -29.806 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -32.624 -6.218 -31.127 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -34.215 -6.341 -30.339 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -33.215 -5.823 -27.549 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -34.379 -7.102 -27.971 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -32.902 -7.507 -27.064 1.00 1.00 H new ATOM 1481 N CYS A 100 -30.643 -9.131 -30.854 1.00 1.00 N ATOM 1482 CA CYS A 100 -29.747 -9.385 -31.987 1.00 1.00 C ATOM 1483 C CYS A 100 -29.317 -10.863 -32.113 1.00 1.00 C ATOM 1484 O CYS A 100 -28.677 -11.256 -33.089 1.00 1.00 O ATOM 1485 CB CYS A 100 -28.518 -8.502 -31.784 1.00 1.00 C ATOM 1486 SG CYS A 100 -28.866 -6.723 -31.718 1.00 1.00 S ATOM 0 H CYS A 100 -30.179 -9.250 -29.953 1.00 1.00 H new ATOM 0 HA CYS A 100 -30.277 -9.154 -32.911 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -28.025 -8.797 -30.858 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -27.814 -8.691 -32.594 1.00 1.00 H new ATOM 0 HG CYS A 100 -27.931 -6.123 -31.043 1.00 1.00 H new ATOM 1491 N ASN A 101 -29.655 -11.662 -31.100 1.00 1.00 N ATOM 1492 CA ASN A 101 -29.332 -13.075 -30.898 1.00 1.00 C ATOM 1493 C ASN A 101 -27.810 -13.337 -30.915 1.00 1.00 C ATOM 1494 O ASN A 101 -27.293 -14.126 -31.711 1.00 1.00 O ATOM 1495 CB ASN A 101 -30.174 -13.950 -31.848 1.00 1.00 C ATOM 1496 CG ASN A 101 -30.057 -15.438 -31.544 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -29.886 -15.862 -30.408 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -30.155 -16.285 -32.545 1.00 1.00 N ATOM 0 H ASN A 101 -30.215 -11.302 -30.327 1.00 1.00 H new ATOM 0 HA ASN A 101 -29.620 -13.376 -29.891 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -31.220 -13.651 -31.778 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -29.859 -13.768 -32.876 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -30.089 -17.288 -32.373 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -30.298 -15.939 -33.494 1.00 1.00 H new ATOM 1505 N MET A 102 -27.096 -12.639 -30.023 1.00 1.00 N ATOM 1506 CA MET A 102 -25.633 -12.705 -29.858 1.00 1.00 C ATOM 1507 C MET A 102 -25.209 -12.751 -28.378 1.00 1.00 C ATOM 1508 O MET A 102 -26.004 -12.469 -27.480 1.00 1.00 O ATOM 1509 CB MET A 102 -24.965 -11.497 -30.546 1.00 1.00 C ATOM 1510 CG MET A 102 -25.193 -11.457 -32.062 1.00 1.00 C ATOM 1511 SD MET A 102 -24.091 -10.340 -32.977 1.00 1.00 S ATOM 1512 CE MET A 102 -24.519 -8.737 -32.242 1.00 1.00 C ATOM 0 H MET A 102 -27.534 -11.988 -29.371 1.00 1.00 H new ATOM 0 HA MET A 102 -25.303 -13.632 -30.326 1.00 1.00 H new ATOM 0 HB2 MET A 102 -25.350 -10.578 -30.104 1.00 1.00 H new ATOM 0 HB3 MET A 102 -23.893 -11.522 -30.348 1.00 1.00 H new ATOM 0 HG2 MET A 102 -25.074 -12.465 -32.459 1.00 1.00 H new ATOM 0 HG3 MET A 102 -26.225 -11.160 -32.251 1.00 1.00 H new ATOM 0 HE1 MET A 102 -24.359 -7.946 -32.975 1.00 1.00 H new ATOM 0 HE2 MET A 102 -25.566 -8.744 -31.938 1.00 1.00 H new ATOM 0 HE3 MET A 102 -23.890 -8.557 -31.371 1.00 1.00 H new ATOM 1522 N THR A 103 -23.934 -13.068 -28.130 1.00 1.00 N ATOM 1523 CA THR A 103 -23.293 -13.134 -26.800 1.00 1.00 C ATOM 1524 C THR A 103 -21.960 -12.376 -26.795 1.00 1.00 C ATOM 1525 O THR A 103 -21.401 -12.081 -27.856 1.00 1.00 O ATOM 1526 CB THR A 103 -23.076 -14.584 -26.328 1.00 1.00 C ATOM 1527 OG1 THR A 103 -22.365 -15.343 -27.285 1.00 1.00 O ATOM 1528 CG2 THR A 103 -24.391 -15.307 -26.034 1.00 1.00 C ATOM 0 H THR A 103 -23.285 -13.297 -28.883 1.00 1.00 H new ATOM 0 HA THR A 103 -23.977 -12.656 -26.099 1.00 1.00 H new ATOM 0 HB THR A 103 -22.497 -14.504 -25.408 1.00 1.00 H new ATOM 0 HG1 THR A 103 -22.243 -16.257 -26.953 1.00 1.00 H new ATOM 0 HG21 THR A 103 -24.181 -16.325 -25.705 1.00 1.00 H new ATOM 0 HG22 THR A 103 -24.931 -14.776 -25.250 1.00 1.00 H new ATOM 0 HG23 THR A 103 -25.000 -15.336 -26.937 1.00 1.00 H new ATOM 1536 N PHE A 104 -21.448 -12.040 -25.605 1.00 1.00 N ATOM 1537 CA PHE A 104 -20.220 -11.251 -25.423 1.00 1.00 C ATOM 1538 C PHE A 104 -19.249 -11.891 -24.418 1.00 1.00 C ATOM 1539 O PHE A 104 -19.663 -12.510 -23.434 1.00 1.00 O ATOM 1540 CB PHE A 104 -20.592 -9.825 -24.975 1.00 1.00 C ATOM 1541 CG PHE A 104 -21.774 -9.208 -25.707 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -21.644 -8.790 -27.044 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -23.019 -9.091 -25.059 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -22.752 -8.256 -27.728 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -24.123 -8.548 -25.736 1.00 1.00 C ATOM 1546 CZ PHE A 104 -23.990 -8.137 -27.074 1.00 1.00 C ATOM 0 H PHE A 104 -21.883 -12.313 -24.724 1.00 1.00 H new ATOM 0 HA PHE A 104 -19.701 -11.219 -26.381 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -20.814 -9.842 -23.908 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -19.724 -9.180 -25.110 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -20.692 -8.879 -27.546 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -23.125 -9.421 -24.036 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -22.651 -7.938 -28.755 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -25.072 -8.446 -25.230 1.00 1.00 H new ATOM 0 HZ PHE A 104 -24.841 -7.729 -27.600 1.00 1.00 H new ATOM 1556 N SER A 105 -17.946 -11.715 -24.654 1.00 1.00 N ATOM 1557 CA SER A 105 -16.853 -12.227 -23.807 1.00 1.00 C ATOM 1558 C SER A 105 -16.548 -11.359 -22.572 1.00 1.00 C ATOM 1559 O SER A 105 -15.809 -11.790 -21.683 1.00 1.00 O ATOM 1560 CB SER A 105 -15.583 -12.356 -24.657 1.00 1.00 C ATOM 1561 OG SER A 105 -15.260 -11.109 -25.261 1.00 1.00 O ATOM 0 H SER A 105 -17.607 -11.197 -25.464 1.00 1.00 H new ATOM 0 HA SER A 105 -17.186 -13.192 -23.425 1.00 1.00 H new ATOM 0 HB2 SER A 105 -14.754 -12.691 -24.034 1.00 1.00 H new ATOM 0 HB3 SER A 105 -15.729 -13.113 -25.427 1.00 1.00 H new ATOM 0 HG SER A 105 -14.447 -11.207 -25.799 1.00 1.00 H new ATOM 1567 N SER A 106 -17.101 -10.141 -22.502 1.00 1.00 N ATOM 1568 CA SER A 106 -16.896 -9.175 -21.414 1.00 1.00 C ATOM 1569 C SER A 106 -18.086 -8.211 -21.286 1.00 1.00 C ATOM 1570 O SER A 106 -18.669 -7.829 -22.310 1.00 1.00 O ATOM 1571 CB SER A 106 -15.620 -8.375 -21.718 1.00 1.00 C ATOM 1572 OG SER A 106 -15.501 -7.221 -20.900 1.00 1.00 O ATOM 0 H SER A 106 -17.726 -9.788 -23.227 1.00 1.00 H new ATOM 0 HA SER A 106 -16.804 -9.715 -20.472 1.00 1.00 H new ATOM 0 HB2 SER A 106 -14.749 -9.014 -21.570 1.00 1.00 H new ATOM 0 HB3 SER A 106 -15.622 -8.076 -22.766 1.00 1.00 H new ATOM 0 HG SER A 106 -14.675 -6.744 -21.126 1.00 1.00 H new ATOM 1578 N PRO A 107 -18.442 -7.758 -20.064 1.00 1.00 N ATOM 1579 CA PRO A 107 -19.516 -6.787 -19.862 1.00 1.00 C ATOM 1580 C PRO A 107 -19.210 -5.427 -20.512 1.00 1.00 C ATOM 1581 O PRO A 107 -20.142 -4.705 -20.865 1.00 1.00 O ATOM 1582 CB PRO A 107 -19.708 -6.686 -18.346 1.00 1.00 C ATOM 1583 CG PRO A 107 -18.341 -7.069 -17.785 1.00 1.00 C ATOM 1584 CD PRO A 107 -17.840 -8.111 -18.782 1.00 1.00 C ATOM 0 HA PRO A 107 -20.435 -7.112 -20.350 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -19.997 -5.679 -18.045 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -20.489 -7.361 -17.995 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -17.673 -6.210 -17.729 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -18.418 -7.479 -16.778 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -16.752 -8.100 -18.845 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -18.132 -9.116 -18.477 1.00 1.00 H new ATOM 1592 N VAL A 108 -17.929 -5.097 -20.734 1.00 1.00 N ATOM 1593 CA VAL A 108 -17.506 -3.864 -21.427 1.00 1.00 C ATOM 1594 C VAL A 108 -17.965 -3.890 -22.892 1.00 1.00 C ATOM 1595 O VAL A 108 -18.423 -2.877 -23.424 1.00 1.00 O ATOM 1596 CB VAL A 108 -15.976 -3.671 -21.338 1.00 1.00 C ATOM 1597 CG1 VAL A 108 -15.526 -2.350 -21.978 1.00 1.00 C ATOM 1598 CG2 VAL A 108 -15.498 -3.659 -19.878 1.00 1.00 C ATOM 0 H VAL A 108 -17.148 -5.682 -20.436 1.00 1.00 H new ATOM 0 HA VAL A 108 -17.978 -3.017 -20.929 1.00 1.00 H new ATOM 0 HB VAL A 108 -15.539 -4.512 -21.876 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -14.443 -2.255 -21.893 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -15.810 -2.340 -23.030 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -16.005 -1.516 -21.465 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -14.417 -3.521 -19.850 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -15.982 -2.841 -19.344 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -15.756 -4.606 -19.403 1.00 1.00 H new ATOM 1608 N VAL A 109 -17.904 -5.060 -23.539 1.00 1.00 N ATOM 1609 CA VAL A 109 -18.382 -5.259 -24.918 1.00 1.00 C ATOM 1610 C VAL A 109 -19.913 -5.206 -24.949 1.00 1.00 C ATOM 1611 O VAL A 109 -20.487 -4.552 -25.819 1.00 1.00 O ATOM 1612 CB VAL A 109 -17.870 -6.594 -25.502 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -18.333 -6.804 -26.949 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -16.336 -6.649 -25.504 1.00 1.00 C ATOM 0 H VAL A 109 -17.518 -5.905 -23.118 1.00 1.00 H new ATOM 0 HA VAL A 109 -17.985 -4.456 -25.540 1.00 1.00 H new ATOM 0 HB VAL A 109 -18.283 -7.374 -24.863 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -17.950 -7.755 -27.319 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -19.422 -6.813 -26.985 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -17.956 -5.993 -27.573 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -16.007 -7.601 -25.921 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -15.943 -5.832 -26.110 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -15.967 -6.553 -24.483 1.00 1.00 H new ATOM 1624 N ALA A 110 -20.578 -5.846 -23.981 1.00 1.00 N ATOM 1625 CA ALA A 110 -22.036 -5.848 -23.851 1.00 1.00 C ATOM 1626 C ALA A 110 -22.618 -4.428 -23.702 1.00 1.00 C ATOM 1627 O ALA A 110 -23.485 -4.038 -24.486 1.00 1.00 O ATOM 1628 CB ALA A 110 -22.407 -6.735 -22.666 1.00 1.00 C ATOM 0 H ALA A 110 -20.108 -6.386 -23.254 1.00 1.00 H new ATOM 0 HA ALA A 110 -22.474 -6.246 -24.766 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -23.491 -6.752 -22.549 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -22.045 -7.748 -22.842 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -21.951 -6.340 -21.759 1.00 1.00 H new ATOM 1634 N GLU A 111 -22.130 -3.629 -22.741 1.00 1.00 N ATOM 1635 CA GLU A 111 -22.618 -2.253 -22.544 1.00 1.00 C ATOM 1636 C GLU A 111 -22.383 -1.365 -23.773 1.00 1.00 C ATOM 1637 O GLU A 111 -23.259 -0.587 -24.154 1.00 1.00 O ATOM 1638 CB GLU A 111 -22.060 -1.623 -21.258 1.00 1.00 C ATOM 1639 CG GLU A 111 -20.573 -1.250 -21.264 1.00 1.00 C ATOM 1640 CD GLU A 111 -20.154 -0.647 -19.908 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -20.376 0.570 -19.690 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -19.597 -1.376 -19.052 1.00 1.00 O ATOM 0 H GLU A 111 -21.399 -3.910 -22.088 1.00 1.00 H new ATOM 0 HA GLU A 111 -23.699 -2.323 -22.419 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -22.636 -0.723 -21.042 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -22.234 -2.317 -20.436 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -19.972 -2.135 -21.475 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -20.376 -0.534 -22.062 1.00 1.00 H new ATOM 1649 N SER A 112 -21.225 -1.522 -24.421 1.00 1.00 N ATOM 1650 CA SER A 112 -20.878 -0.804 -25.658 1.00 1.00 C ATOM 1651 C SER A 112 -21.810 -1.191 -26.813 1.00 1.00 C ATOM 1652 O SER A 112 -22.237 -0.327 -27.580 1.00 1.00 O ATOM 1653 CB SER A 112 -19.427 -1.078 -26.073 1.00 1.00 C ATOM 1654 OG SER A 112 -18.517 -0.643 -25.077 1.00 1.00 O ATOM 0 H SER A 112 -20.493 -2.156 -24.101 1.00 1.00 H new ATOM 0 HA SER A 112 -20.997 0.259 -25.446 1.00 1.00 H new ATOM 0 HB2 SER A 112 -19.292 -2.145 -26.251 1.00 1.00 H new ATOM 0 HB3 SER A 112 -19.213 -0.569 -27.012 1.00 1.00 H new ATOM 0 HG SER A 112 -18.393 -1.354 -24.414 1.00 1.00 H new ATOM 1660 N HIS A 113 -22.165 -2.476 -26.935 1.00 1.00 N ATOM 1661 CA HIS A 113 -23.081 -2.965 -27.963 1.00 1.00 C ATOM 1662 C HIS A 113 -24.485 -2.352 -27.817 1.00 1.00 C ATOM 1663 O HIS A 113 -25.028 -1.855 -28.802 1.00 1.00 O ATOM 1664 CB HIS A 113 -23.140 -4.500 -27.928 1.00 1.00 C ATOM 1665 CG HIS A 113 -24.149 -5.055 -28.899 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -23.941 -5.324 -30.234 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -25.476 -5.276 -28.643 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -25.118 -5.691 -30.768 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -26.083 -5.682 -29.834 1.00 1.00 N ATOM 0 H HIS A 113 -21.819 -3.209 -26.316 1.00 1.00 H new ATOM 0 HA HIS A 113 -22.698 -2.651 -28.934 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -22.155 -4.905 -28.160 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -23.390 -4.829 -26.919 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -23.052 -5.257 -30.729 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -25.967 -5.157 -27.688 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -25.267 -5.956 -31.804 1.00 1.00 H new ATOM 1677 N TYR A 114 -25.063 -2.344 -26.606 1.00 1.00 N ATOM 1678 CA TYR A 114 -26.408 -1.802 -26.338 1.00 1.00 C ATOM 1679 C TYR A 114 -26.617 -0.324 -26.744 1.00 1.00 C ATOM 1680 O TYR A 114 -27.765 0.113 -26.861 1.00 1.00 O ATOM 1681 CB TYR A 114 -26.780 -1.990 -24.855 1.00 1.00 C ATOM 1682 CG TYR A 114 -26.721 -3.404 -24.292 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -27.214 -4.508 -25.022 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -26.207 -3.606 -22.996 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -27.152 -5.806 -24.475 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -26.122 -4.903 -22.453 1.00 1.00 C ATOM 1687 CZ TYR A 114 -26.586 -6.010 -23.195 1.00 1.00 C ATOM 1688 OH TYR A 114 -26.495 -7.254 -22.649 1.00 1.00 O ATOM 0 H TYR A 114 -24.606 -2.718 -25.774 1.00 1.00 H new ATOM 0 HA TYR A 114 -27.072 -2.380 -26.981 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -26.117 -1.362 -24.259 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -27.792 -1.612 -24.711 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -27.640 -4.357 -26.003 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -25.875 -2.759 -22.414 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -27.537 -6.646 -25.034 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -25.702 -5.050 -21.469 1.00 1.00 H new ATOM 0 HH TYR A 114 -26.884 -7.910 -23.264 1.00 1.00 H new ATOM 1698 N ILE A 115 -25.541 0.440 -26.983 1.00 1.00 N ATOM 1699 CA ILE A 115 -25.578 1.854 -27.407 1.00 1.00 C ATOM 1700 C ILE A 115 -24.975 2.085 -28.808 1.00 1.00 C ATOM 1701 O ILE A 115 -24.920 3.225 -29.275 1.00 1.00 O ATOM 1702 CB ILE A 115 -24.982 2.786 -26.320 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -23.500 2.540 -25.944 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -25.830 2.683 -25.038 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -22.474 2.995 -26.989 1.00 1.00 C ATOM 0 H ILE A 115 -24.590 0.083 -26.885 1.00 1.00 H new ATOM 0 HA ILE A 115 -26.628 2.126 -27.512 1.00 1.00 H new ATOM 0 HB ILE A 115 -25.009 3.779 -26.769 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -23.290 3.054 -25.006 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -23.361 1.474 -25.762 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -25.413 3.337 -24.272 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -26.855 2.985 -25.254 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -25.823 1.654 -24.679 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -21.468 2.778 -26.630 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -22.648 2.464 -27.925 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -22.576 4.067 -27.156 1.00 1.00 H new ATOM 1717 N GLY A 116 -24.549 1.020 -29.498 1.00 1.00 N ATOM 1718 CA GLY A 116 -23.975 1.073 -30.847 1.00 1.00 C ATOM 1719 C GLY A 116 -25.029 0.923 -31.950 1.00 1.00 C ATOM 1720 O GLY A 116 -26.119 0.383 -31.731 1.00 1.00 O ATOM 0 H GLY A 116 -24.596 0.073 -29.123 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -23.453 2.021 -30.977 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -23.232 0.282 -30.952 1.00 1.00 H new ATOM 1724 N LYS A 117 -24.714 1.393 -33.165 1.00 1.00 N ATOM 1725 CA LYS A 117 -25.643 1.352 -34.311 1.00 1.00 C ATOM 1726 C LYS A 117 -26.076 -0.066 -34.710 1.00 1.00 C ATOM 1727 O LYS A 117 -27.205 -0.245 -35.158 1.00 1.00 O ATOM 1728 CB LYS A 117 -25.073 2.164 -35.489 1.00 1.00 C ATOM 1729 CG LYS A 117 -26.179 2.518 -36.501 1.00 1.00 C ATOM 1730 CD LYS A 117 -25.716 3.436 -37.641 1.00 1.00 C ATOM 1731 CE LYS A 117 -25.298 4.828 -37.143 1.00 1.00 C ATOM 1732 NZ LYS A 117 -24.923 5.723 -38.270 1.00 1.00 N ATOM 0 H LYS A 117 -23.810 1.812 -33.384 1.00 1.00 H new ATOM 0 HA LYS A 117 -26.570 1.828 -33.990 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -24.611 3.078 -35.116 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -24.290 1.591 -35.986 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -26.574 1.596 -36.929 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -27.000 3.001 -35.971 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -24.877 2.972 -38.159 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -26.521 3.541 -38.369 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -26.117 5.275 -36.580 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -24.456 4.732 -36.458 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -24.646 6.654 -37.897 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -24.125 5.308 -38.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -25.735 5.834 -38.910 1.00 1.00 H new ATOM 1746 N THR A 118 -25.234 -1.082 -34.502 1.00 1.00 N ATOM 1747 CA THR A 118 -25.563 -2.500 -34.772 1.00 1.00 C ATOM 1748 C THR A 118 -26.818 -2.942 -34.006 1.00 1.00 C ATOM 1749 O THR A 118 -27.691 -3.617 -34.557 1.00 1.00 O ATOM 1750 CB THR A 118 -24.382 -3.412 -34.388 1.00 1.00 C ATOM 1751 OG1 THR A 118 -23.173 -2.907 -34.919 1.00 1.00 O ATOM 1752 CG2 THR A 118 -24.542 -4.848 -34.888 1.00 1.00 C ATOM 0 H THR A 118 -24.291 -0.950 -34.137 1.00 1.00 H new ATOM 0 HA THR A 118 -25.760 -2.590 -35.840 1.00 1.00 H new ATOM 0 HB THR A 118 -24.364 -3.423 -33.298 1.00 1.00 H new ATOM 0 HG1 THR A 118 -22.433 -3.497 -34.665 1.00 1.00 H new ATOM 0 HG21 THR A 118 -23.677 -5.438 -34.584 1.00 1.00 H new ATOM 0 HG22 THR A 118 -25.446 -5.283 -34.461 1.00 1.00 H new ATOM 0 HG23 THR A 118 -24.618 -4.848 -35.975 1.00 1.00 H new ATOM 1760 N HIS A 119 -26.947 -2.510 -32.747 1.00 1.00 N ATOM 1761 CA HIS A 119 -28.122 -2.774 -31.912 1.00 1.00 C ATOM 1762 C HIS A 119 -29.335 -1.986 -32.418 1.00 1.00 C ATOM 1763 O HIS A 119 -30.417 -2.544 -32.565 1.00 1.00 O ATOM 1764 CB HIS A 119 -27.779 -2.420 -30.462 1.00 1.00 C ATOM 1765 CG HIS A 119 -28.800 -2.883 -29.457 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -29.000 -4.210 -29.078 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -29.618 -2.081 -28.714 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -29.925 -4.180 -28.106 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -30.319 -2.916 -27.872 1.00 1.00 N ATOM 0 H HIS A 119 -26.229 -1.961 -32.274 1.00 1.00 H new ATOM 0 HA HIS A 119 -28.389 -3.829 -31.965 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -26.813 -2.859 -30.211 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -27.669 -1.339 -30.380 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -29.699 -1.006 -28.774 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -30.300 -5.049 -27.585 1.00 1.00 H new ATOM 0 HE2 HIS A 119 -31.018 -2.625 -27.188 1.00 1.00 H new ATOM 1777 N ILE A 120 -29.146 -0.704 -32.757 1.00 1.00 N ATOM 1778 CA ILE A 120 -30.192 0.190 -33.292 1.00 1.00 C ATOM 1779 C ILE A 120 -30.786 -0.339 -34.606 1.00 1.00 C ATOM 1780 O ILE A 120 -32.007 -0.318 -34.775 1.00 1.00 O ATOM 1781 CB ILE A 120 -29.659 1.637 -33.378 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -29.413 2.133 -31.930 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -30.617 2.572 -34.141 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -28.785 3.529 -31.827 1.00 1.00 C ATOM 0 H ILE A 120 -28.240 -0.244 -32.666 1.00 1.00 H new ATOM 0 HA ILE A 120 -31.034 0.206 -32.599 1.00 1.00 H new ATOM 0 HB ILE A 120 -28.729 1.649 -33.947 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -30.363 2.137 -31.396 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -28.764 1.420 -31.422 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -30.196 3.577 -34.173 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -30.753 2.203 -35.158 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -31.581 2.599 -33.633 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -28.651 3.791 -30.778 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -27.817 3.530 -32.328 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -29.441 4.259 -32.302 1.00 1.00 H new ATOM 1796 N LYS A 121 -29.970 -0.893 -35.513 1.00 1.00 N ATOM 1797 CA LYS A 121 -30.455 -1.543 -36.748 1.00 1.00 C ATOM 1798 C LYS A 121 -31.386 -2.718 -36.431 1.00 1.00 C ATOM 1799 O LYS A 121 -32.373 -2.919 -37.134 1.00 1.00 O ATOM 1800 CB LYS A 121 -29.267 -1.994 -37.615 1.00 1.00 C ATOM 1801 CG LYS A 121 -28.577 -0.805 -38.300 1.00 1.00 C ATOM 1802 CD LYS A 121 -27.357 -1.265 -39.104 1.00 1.00 C ATOM 1803 CE LYS A 121 -26.709 -0.077 -39.825 1.00 1.00 C ATOM 1804 NZ LYS A 121 -25.543 -0.503 -40.643 1.00 1.00 N ATOM 0 H LYS A 121 -28.955 -0.906 -35.415 1.00 1.00 H new ATOM 0 HA LYS A 121 -31.035 -0.813 -37.312 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -28.545 -2.525 -36.995 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -29.615 -2.697 -38.371 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -29.283 -0.302 -38.960 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -28.269 -0.077 -37.549 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -26.632 -1.734 -38.439 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -27.657 -2.020 -39.831 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -27.446 0.407 -40.466 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -26.389 0.664 -39.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -25.130 0.326 -41.116 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -24.829 -0.942 -40.027 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -25.854 -1.191 -41.358 1.00 1.00 H new ATOM 1818 N ASN A 122 -31.129 -3.445 -35.341 1.00 1.00 N ATOM 1819 CA ASN A 122 -32.001 -4.522 -34.866 1.00 1.00 C ATOM 1820 C ASN A 122 -33.277 -3.975 -34.189 1.00 1.00 C ATOM 1821 O ASN A 122 -34.319 -4.625 -34.285 1.00 1.00 O ATOM 1822 CB ASN A 122 -31.198 -5.488 -33.981 1.00 1.00 C ATOM 1823 CG ASN A 122 -30.339 -6.427 -34.815 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -30.764 -7.507 -35.193 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -29.122 -6.058 -35.146 1.00 1.00 N ATOM 0 H ASN A 122 -30.304 -3.302 -34.759 1.00 1.00 H new ATOM 0 HA ASN A 122 -32.363 -5.093 -35.721 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -30.563 -4.918 -33.303 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -31.882 -6.071 -33.364 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -28.540 -6.673 -35.715 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -28.760 -5.157 -34.834 1.00 1.00 H new