USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 836 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 65 LYS NZ :NH3+ -110:sc= 0.00107 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot -43:sc= -0.039 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 179:sc= 0.157 (180deg=0) USER MOD Set 2.2: A 29 GLN : amide:sc= -1.4 K(o=-1.2,f=-5.1!) USER MOD Set 3.1: A 27 SER OG : rot -90:sc= -1.15 USER MOD Set 3.2: A 112 HIS : no HD1:sc= -6.73! C(o=-7.9!,f=-10!) USER MOD Set 4.1: A 20 THR OG1 : rot -68:sc= -1.52! USER MOD Set 4.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 18 TYR OH : rot 30:sc= -1.52 USER MOD Set 5.2: A 92 ASN : amide:sc= -2 K(o=-3.5,f=-8.4!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 108:sc= -0.952! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0855 X(o=-0.085,f=-0.055) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.15 F(o=-2.6,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.0535 (180deg=-0.447) USER MOD Single : A 44 GLN : amide:sc= -0.635 K(o=-0.64,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -139:sc= -4.35! (180deg=-7.13!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -1.66 F(o=-2.7,f=-1.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 38:sc= 0.817 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -178:sc= -4.75! (180deg=-5.3!) USER MOD Single : A 73 THR OG1 : rot 54:sc= -5.33! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 76:sc= 1.12 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.56! USER MOD Single : A 83 SER OG : rot -65:sc= 1.14 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.81 K(o=-1.8,f=-6.7!) USER MOD Single : A 96 THR OG1 : rot 90:sc= -0.396! USER MOD Single : A 97 ASN : amide:sc= -2.21 K(o=-2.2,f=-3.6!) USER MOD Single : A 98 THR OG1 : rot -67:sc= 0.145 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -58:sc= 0.811 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.518 5.166 15.224 1.00 0.00 N ATOM 194 CA TYR A 12 -2.859 6.181 14.222 1.00 0.00 C ATOM 195 C TYR A 12 -4.073 5.759 13.398 1.00 0.00 C ATOM 196 O TYR A 12 -3.937 5.135 12.346 1.00 0.00 O ATOM 197 CB TYR A 12 -1.652 6.443 13.300 1.00 0.00 C ATOM 198 CG TYR A 12 -0.602 5.347 13.344 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.023 5.014 14.538 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.260 4.630 12.205 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.954 4.003 14.603 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.674 3.612 12.259 1.00 0.00 C ATOM 203 CZ TYR A 12 1.277 3.301 13.462 1.00 0.00 C ATOM 204 OH TYR A 12 2.208 2.289 13.519 1.00 0.00 O ATOM 0 HA TYR A 12 -3.113 7.102 14.746 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.006 6.554 12.275 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.189 7.389 13.582 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.227 5.560 15.435 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.730 4.871 11.263 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.429 3.761 15.542 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.931 3.063 11.365 1.00 0.00 H new ATOM 0 HH TYR A 12 2.319 1.896 12.628 1.00 0.00 H new ATOM 214 N GLY A 13 -5.259 6.099 13.891 1.00 0.00 N ATOM 215 CA GLY A 13 -6.484 5.745 13.197 1.00 0.00 C ATOM 216 C GLY A 13 -6.537 6.284 11.780 1.00 0.00 C ATOM 217 O GLY A 13 -7.075 5.634 10.884 1.00 0.00 O ATOM 0 H GLY A 13 -5.394 6.615 14.761 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.580 4.660 13.171 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.337 6.127 13.758 1.00 0.00 H new ATOM 221 N ILE A 14 -5.984 7.475 11.574 1.00 0.00 N ATOM 222 CA ILE A 14 -5.983 8.094 10.254 1.00 0.00 C ATOM 223 C ILE A 14 -5.168 7.273 9.258 1.00 0.00 C ATOM 224 O ILE A 14 -5.632 6.984 8.156 1.00 0.00 O ATOM 225 CB ILE A 14 -5.434 9.536 10.302 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.509 10.187 8.917 1.00 0.00 C ATOM 227 CG2 ILE A 14 -4.003 9.546 10.819 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.892 10.147 8.303 1.00 0.00 C ATOM 0 H ILE A 14 -5.532 8.029 12.302 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.021 8.127 9.922 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.052 10.115 10.988 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.185 11.225 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.810 9.684 8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.633 10.571 10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.976 9.124 11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.373 8.950 10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.869 10.626 7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.211 9.111 8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.592 10.676 8.949 1.00 0.00 H new ATOM 240 N GLU A 15 -3.958 6.892 9.651 1.00 0.00 N ATOM 241 CA GLU A 15 -3.098 6.098 8.785 1.00 0.00 C ATOM 242 C GLU A 15 -3.613 4.667 8.700 1.00 0.00 C ATOM 243 O GLU A 15 -3.505 4.015 7.662 1.00 0.00 O ATOM 244 CB GLU A 15 -1.656 6.114 9.297 1.00 0.00 C ATOM 245 CG GLU A 15 -0.764 7.103 8.564 1.00 0.00 C ATOM 246 CD GLU A 15 0.653 6.594 8.392 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.840 5.360 8.351 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.577 7.430 8.296 1.00 0.00 O ATOM 0 H GLU A 15 -3.553 7.119 10.559 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.113 6.536 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.659 6.357 10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.233 5.114 9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.191 7.315 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.744 8.044 9.113 1.00 0.00 H new ATOM 255 N GLY A 16 -4.187 4.192 9.799 1.00 0.00 N ATOM 256 CA GLY A 16 -4.728 2.848 9.828 1.00 0.00 C ATOM 257 C GLY A 16 -6.040 2.755 9.077 1.00 0.00 C ATOM 258 O GLY A 16 -6.397 1.694 8.565 1.00 0.00 O ATOM 0 H GLY A 16 -4.287 4.714 10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.008 2.157 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.878 2.539 10.862 1.00 0.00 H new ATOM 262 N ARG A 17 -6.756 3.874 9.003 1.00 0.00 N ATOM 263 CA ARG A 17 -8.033 3.920 8.302 1.00 0.00 C ATOM 264 C ARG A 17 -7.821 3.869 6.794 1.00 0.00 C ATOM 265 O ARG A 17 -8.701 3.438 6.052 1.00 0.00 O ATOM 266 CB ARG A 17 -8.805 5.185 8.681 1.00 0.00 C ATOM 267 CG ARG A 17 -10.160 5.296 8.003 1.00 0.00 C ATOM 268 CD ARG A 17 -10.085 6.146 6.744 1.00 0.00 C ATOM 269 NE ARG A 17 -11.322 6.889 6.511 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.446 7.854 5.602 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.413 8.195 4.840 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.606 8.479 5.454 1.00 0.00 N ATOM 0 H ARG A 17 -6.472 4.760 9.420 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.617 3.049 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.946 5.205 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.206 6.058 8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.524 4.300 7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.880 5.732 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.253 6.845 6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.879 5.506 5.886 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.137 6.655 7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.519 7.717 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.514 8.935 4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.403 8.220 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.702 9.218 4.758 1.00 0.00 H new ATOM 286 N TYR A 18 -6.647 4.304 6.343 1.00 0.00 N ATOM 287 CA TYR A 18 -6.330 4.294 4.919 1.00 0.00 C ATOM 288 C TYR A 18 -6.485 2.890 4.351 1.00 0.00 C ATOM 289 O TYR A 18 -7.141 2.690 3.328 1.00 0.00 O ATOM 290 CB TYR A 18 -4.902 4.795 4.690 1.00 0.00 C ATOM 291 CG TYR A 18 -4.829 6.202 4.147 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.271 7.280 4.901 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.316 6.451 2.880 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.205 8.568 4.409 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.246 7.737 2.381 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.691 8.793 3.149 1.00 0.00 C ATOM 297 OH TYR A 18 -4.623 10.076 2.655 1.00 0.00 O ATOM 0 H TYR A 18 -5.903 4.666 6.940 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.025 4.959 4.406 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.356 4.751 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.397 4.122 3.997 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.673 7.108 5.889 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.967 5.627 2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.554 9.396 5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.845 7.915 1.394 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.507 10.706 3.396 1.00 0.00 H new ATOM 307 N ALA A 19 -5.882 1.921 5.026 1.00 0.00 N ATOM 308 CA ALA A 19 -5.958 0.534 4.596 1.00 0.00 C ATOM 309 C ALA A 19 -7.369 -0.005 4.771 1.00 0.00 C ATOM 310 O ALA A 19 -7.877 -0.731 3.919 1.00 0.00 O ATOM 311 CB ALA A 19 -4.966 -0.317 5.373 1.00 0.00 C ATOM 0 H ALA A 19 -5.335 2.071 5.874 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.702 0.488 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.035 -1.352 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.955 0.053 5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.195 -0.263 6.437 1.00 0.00 H new ATOM 317 N THR A 20 -8.000 0.356 5.883 1.00 0.00 N ATOM 318 CA THR A 20 -9.354 -0.097 6.163 1.00 0.00 C ATOM 319 C THR A 20 -10.364 0.594 5.258 1.00 0.00 C ATOM 320 O THR A 20 -11.458 0.080 5.037 1.00 0.00 O ATOM 321 CB THR A 20 -9.708 0.120 7.633 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.737 0.928 8.273 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.807 -1.178 8.403 1.00 0.00 C ATOM 0 H THR A 20 -7.597 0.958 6.601 1.00 0.00 H new ATOM 0 HA THR A 20 -9.396 -1.166 5.956 1.00 0.00 H new ATOM 0 HB THR A 20 -10.681 0.611 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.890 0.439 8.329 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.061 -0.966 9.442 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.581 -1.805 7.961 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.851 -1.699 8.362 1.00 0.00 H new ATOM 331 N ALA A 21 -9.991 1.749 4.718 1.00 0.00 N ATOM 332 CA ALA A 21 -10.879 2.475 3.821 1.00 0.00 C ATOM 333 C ALA A 21 -10.616 2.086 2.372 1.00 0.00 C ATOM 334 O ALA A 21 -11.298 2.551 1.458 1.00 0.00 O ATOM 335 CB ALA A 21 -10.729 3.976 4.015 1.00 0.00 C ATOM 0 H ALA A 21 -9.090 2.198 4.884 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.906 2.203 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.401 4.500 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.978 4.237 5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.700 4.269 3.805 1.00 0.00 H new ATOM 341 N LEU A 22 -9.638 1.208 2.171 1.00 0.00 N ATOM 342 CA LEU A 22 -9.300 0.729 0.840 1.00 0.00 C ATOM 343 C LEU A 22 -9.587 -0.752 0.767 1.00 0.00 C ATOM 344 O LEU A 22 -10.099 -1.254 -0.233 1.00 0.00 O ATOM 345 CB LEU A 22 -7.833 1.015 0.514 1.00 0.00 C ATOM 346 CG LEU A 22 -7.429 0.781 -0.944 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.260 -0.706 -1.222 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.454 1.393 -1.890 1.00 0.00 C ATOM 0 H LEU A 22 -9.065 0.814 2.918 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.906 1.254 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.616 2.052 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.208 0.390 1.152 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.471 1.271 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.973 -0.851 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.485 -1.112 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.201 -1.221 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.149 1.216 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.428 0.936 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.520 2.466 -1.710 1.00 0.00 H new ATOM 360 N TYR A 23 -9.290 -1.442 1.857 1.00 0.00 N ATOM 361 CA TYR A 23 -9.555 -2.853 1.939 1.00 0.00 C ATOM 362 C TYR A 23 -11.018 -3.065 2.330 1.00 0.00 C ATOM 363 O TYR A 23 -11.563 -4.144 2.125 1.00 0.00 O ATOM 364 CB TYR A 23 -8.593 -3.521 2.932 1.00 0.00 C ATOM 365 CG TYR A 23 -9.253 -4.071 4.175 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.084 -5.175 4.100 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.055 -3.480 5.416 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.700 -5.685 5.222 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.668 -3.978 6.544 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.488 -5.082 6.445 1.00 0.00 C ATOM 371 OH TYR A 23 -11.102 -5.577 7.570 1.00 0.00 O ATOM 0 H TYR A 23 -8.865 -1.040 2.693 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.387 -3.321 0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.073 -4.333 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.837 -2.795 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.253 -5.646 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.411 -2.617 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.343 -6.549 5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.507 -3.506 7.502 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.437 -6.022 8.137 1.00 0.00 H new ATOM 381 N SER A 24 -11.665 -2.019 2.874 1.00 0.00 N ATOM 382 CA SER A 24 -13.071 -2.120 3.256 1.00 0.00 C ATOM 383 C SER A 24 -13.862 -2.728 2.109 1.00 0.00 C ATOM 384 O SER A 24 -14.662 -3.645 2.302 1.00 0.00 O ATOM 385 CB SER A 24 -13.632 -0.743 3.625 1.00 0.00 C ATOM 386 OG SER A 24 -15.003 -0.634 3.280 1.00 0.00 O ATOM 0 H SER A 24 -11.238 -1.110 3.054 1.00 0.00 H new ATOM 0 HA SER A 24 -13.157 -2.762 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.510 -0.573 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.063 0.033 3.112 1.00 0.00 H new ATOM 0 HG SER A 24 -15.333 0.254 3.529 1.00 0.00 H new ATOM 392 N ALA A 25 -13.594 -2.236 0.905 1.00 0.00 N ATOM 393 CA ALA A 25 -14.237 -2.758 -0.286 1.00 0.00 C ATOM 394 C ALA A 25 -13.657 -4.127 -0.593 1.00 0.00 C ATOM 395 O ALA A 25 -14.360 -5.034 -1.039 1.00 0.00 O ATOM 396 CB ALA A 25 -14.045 -1.811 -1.461 1.00 0.00 C ATOM 0 H ALA A 25 -12.935 -1.477 0.732 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.309 -2.849 -0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.535 -2.222 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.482 -0.841 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.980 -1.690 -1.661 1.00 0.00 H new ATOM 402 N ALA A 26 -12.360 -4.269 -0.326 1.00 0.00 N ATOM 403 CA ALA A 26 -11.668 -5.531 -0.547 1.00 0.00 C ATOM 404 C ALA A 26 -12.270 -6.639 0.313 1.00 0.00 C ATOM 405 O ALA A 26 -12.432 -7.768 -0.142 1.00 0.00 O ATOM 406 CB ALA A 26 -10.186 -5.379 -0.242 1.00 0.00 C ATOM 0 H ALA A 26 -11.770 -3.524 0.044 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.788 -5.806 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.680 -6.330 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.756 -4.618 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.057 -5.080 0.798 1.00 0.00 H new ATOM 412 N SER A 27 -12.601 -6.303 1.560 1.00 0.00 N ATOM 413 CA SER A 27 -13.190 -7.264 2.488 1.00 0.00 C ATOM 414 C SER A 27 -14.460 -7.866 1.902 1.00 0.00 C ATOM 415 O SER A 27 -14.657 -9.081 1.934 1.00 0.00 O ATOM 416 CB SER A 27 -13.507 -6.585 3.822 1.00 0.00 C ATOM 417 OG SER A 27 -13.349 -7.488 4.904 1.00 0.00 O ATOM 0 H SER A 27 -12.470 -5.370 1.950 1.00 0.00 H new ATOM 0 HA SER A 27 -12.468 -8.063 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.850 -5.726 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.529 -6.206 3.807 1.00 0.00 H new ATOM 0 HG SER A 27 -14.198 -7.948 5.073 1.00 0.00 H new ATOM 423 N LYS A 28 -15.320 -7.006 1.358 1.00 0.00 N ATOM 424 CA LYS A 28 -16.571 -7.454 0.755 1.00 0.00 C ATOM 425 C LYS A 28 -16.308 -8.569 -0.250 1.00 0.00 C ATOM 426 O LYS A 28 -17.127 -9.469 -0.428 1.00 0.00 O ATOM 427 CB LYS A 28 -17.278 -6.284 0.067 1.00 0.00 C ATOM 428 CG LYS A 28 -18.600 -6.667 -0.580 1.00 0.00 C ATOM 429 CD LYS A 28 -18.451 -6.867 -2.079 1.00 0.00 C ATOM 430 CE LYS A 28 -18.928 -5.649 -2.853 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.546 -5.719 -4.291 1.00 0.00 N ATOM 0 H LYS A 28 -15.172 -5.997 1.323 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.216 -7.840 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.456 -5.497 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.618 -5.868 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.976 -7.584 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.339 -5.889 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.406 -7.066 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.021 -7.743 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.012 -5.567 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.505 -4.748 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.905 -4.878 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.510 -5.754 -4.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.957 -6.574 -4.718 1.00 0.00 H new ATOM 445 N GLN A 29 -15.148 -8.504 -0.895 1.00 0.00 N ATOM 446 CA GLN A 29 -14.759 -9.510 -1.873 1.00 0.00 C ATOM 447 C GLN A 29 -13.939 -10.609 -1.206 1.00 0.00 C ATOM 448 O GLN A 29 -14.063 -11.782 -1.555 1.00 0.00 O ATOM 449 CB GLN A 29 -13.955 -8.870 -3.006 1.00 0.00 C ATOM 450 CG GLN A 29 -14.784 -7.968 -3.906 1.00 0.00 C ATOM 451 CD GLN A 29 -14.628 -6.500 -3.562 1.00 0.00 C ATOM 452 OE1 GLN A 29 -15.609 -5.803 -3.307 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.388 -6.022 -3.555 1.00 0.00 N ATOM 0 H GLN A 29 -14.461 -7.763 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.663 -9.951 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.138 -8.290 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.504 -9.657 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.491 -8.127 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.835 -8.247 -3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.603 -6.636 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.221 -5.041 -3.332 1.00 0.00 H new ATOM 462 N ASN A 30 -13.095 -10.207 -0.248 1.00 0.00 N ATOM 463 CA ASN A 30 -12.228 -11.129 0.490 1.00 0.00 C ATOM 464 C ASN A 30 -10.824 -11.088 -0.085 1.00 0.00 C ATOM 465 O ASN A 30 -10.114 -12.093 -0.103 1.00 0.00 O ATOM 466 CB ASN A 30 -12.766 -12.565 0.467 1.00 0.00 C ATOM 467 CG ASN A 30 -12.212 -13.407 1.599 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.461 -14.356 1.373 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.583 -13.064 2.828 1.00 0.00 N ATOM 0 H ASN A 30 -12.995 -9.233 0.036 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.208 -10.804 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.854 -12.544 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.513 -13.030 -0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.243 -13.595 3.630 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.207 -12.270 2.969 1.00 0.00 H new ATOM 476 N LYS A 31 -10.433 -9.911 -0.559 1.00 0.00 N ATOM 477 CA LYS A 31 -9.118 -9.723 -1.142 1.00 0.00 C ATOM 478 C LYS A 31 -8.087 -9.350 -0.081 1.00 0.00 C ATOM 479 O LYS A 31 -6.948 -9.033 -0.411 1.00 0.00 O ATOM 480 CB LYS A 31 -9.166 -8.645 -2.225 1.00 0.00 C ATOM 481 CG LYS A 31 -9.516 -9.186 -3.603 1.00 0.00 C ATOM 482 CD LYS A 31 -10.987 -8.980 -3.926 1.00 0.00 C ATOM 483 CE LYS A 31 -11.206 -8.779 -5.416 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.547 -10.054 -6.105 1.00 0.00 N ATOM 0 H LYS A 31 -11.013 -9.072 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.816 -10.669 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.899 -7.890 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.198 -8.147 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.904 -8.689 -4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.278 -10.249 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.560 -9.843 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.362 -8.114 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.008 -8.057 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.306 -8.355 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.688 -9.873 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.771 -10.735 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.420 -10.446 -5.698 1.00 0.00 H new ATOM 498 N LEU A 32 -8.481 -9.398 1.197 1.00 0.00 N ATOM 499 CA LEU A 32 -7.573 -9.077 2.294 1.00 0.00 C ATOM 500 C LEU A 32 -6.194 -9.674 2.047 1.00 0.00 C ATOM 501 O LEU A 32 -5.180 -9.104 2.438 1.00 0.00 O ATOM 502 CB LEU A 32 -8.153 -9.601 3.608 1.00 0.00 C ATOM 503 CG LEU A 32 -9.242 -8.722 4.228 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.616 -7.715 5.179 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.049 -8.015 3.147 1.00 0.00 C ATOM 0 H LEU A 32 -9.423 -9.656 1.492 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.464 -7.994 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.564 -10.596 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.342 -9.711 4.328 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.925 -9.358 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.397 -7.093 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.087 -8.244 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.915 -7.085 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.817 -7.396 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.387 -7.386 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.522 -8.756 2.502 1.00 0.00 H new ATOM 517 N GLU A 33 -6.168 -10.815 1.371 1.00 0.00 N ATOM 518 CA GLU A 33 -4.912 -11.480 1.046 1.00 0.00 C ATOM 519 C GLU A 33 -4.261 -10.809 -0.160 1.00 0.00 C ATOM 520 O GLU A 33 -3.040 -10.658 -0.219 1.00 0.00 O ATOM 521 CB GLU A 33 -5.148 -12.964 0.758 1.00 0.00 C ATOM 522 CG GLU A 33 -3.920 -13.829 0.978 1.00 0.00 C ATOM 523 CD GLU A 33 -3.869 -14.427 2.370 1.00 0.00 C ATOM 524 OE1 GLU A 33 -3.373 -13.744 3.291 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.325 -15.577 2.540 1.00 0.00 O ATOM 0 H GLU A 33 -7.001 -11.299 1.037 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.244 -11.396 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.955 -13.325 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.481 -13.077 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.909 -14.632 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.024 -13.231 0.811 1.00 0.00 H new ATOM 532 N GLN A 34 -5.093 -10.394 -1.111 1.00 0.00 N ATOM 533 CA GLN A 34 -4.618 -9.722 -2.315 1.00 0.00 C ATOM 534 C GLN A 34 -4.369 -8.235 -2.052 1.00 0.00 C ATOM 535 O GLN A 34 -3.832 -7.530 -2.907 1.00 0.00 O ATOM 536 CB GLN A 34 -5.631 -9.889 -3.449 1.00 0.00 C ATOM 537 CG GLN A 34 -5.228 -10.936 -4.475 1.00 0.00 C ATOM 538 CD GLN A 34 -4.660 -10.324 -5.741 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.836 -9.295 -5.584 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -4.960 -10.772 -6.848 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.105 -10.513 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.674 -10.181 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.597 -10.161 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.762 -8.931 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.488 -11.604 -4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.096 -11.544 -4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.598 -11.565 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.571 -10.350 -7.691 1.00 0.00 H new ATOM 549 N VAL A 35 -4.755 -7.764 -0.867 1.00 0.00 N ATOM 550 CA VAL A 35 -4.562 -6.364 -0.500 1.00 0.00 C ATOM 551 C VAL A 35 -3.544 -6.240 0.629 1.00 0.00 C ATOM 552 O VAL A 35 -2.724 -5.323 0.641 1.00 0.00 O ATOM 553 CB VAL A 35 -5.879 -5.685 -0.047 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.856 -4.207 -0.398 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.107 -6.362 -0.653 1.00 0.00 C ATOM 0 H VAL A 35 -5.202 -8.331 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.201 -5.860 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.951 -5.793 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.787 -3.742 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.016 -3.727 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.748 -4.091 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.009 -5.855 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.052 -6.309 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.137 -7.406 -0.342 1.00 0.00 H new ATOM 565 N GLU A 36 -3.599 -7.177 1.573 1.00 0.00 N ATOM 566 CA GLU A 36 -2.674 -7.179 2.702 1.00 0.00 C ATOM 567 C GLU A 36 -1.294 -7.600 2.234 1.00 0.00 C ATOM 568 O GLU A 36 -0.299 -6.928 2.507 1.00 0.00 O ATOM 569 CB GLU A 36 -3.161 -8.118 3.808 1.00 0.00 C ATOM 570 CG GLU A 36 -2.355 -8.015 5.092 1.00 0.00 C ATOM 571 CD GLU A 36 -1.207 -9.004 5.140 1.00 0.00 C ATOM 572 OE1 GLU A 36 -1.455 -10.189 5.446 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.058 -8.593 4.871 1.00 0.00 O ATOM 0 H GLU A 36 -4.273 -7.943 1.578 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.626 -6.169 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.206 -7.898 4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.121 -9.145 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.962 -7.003 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.013 -8.186 5.944 1.00 0.00 H new ATOM 580 N LYS A 37 -1.245 -8.700 1.492 1.00 0.00 N ATOM 581 CA LYS A 37 0.011 -9.185 0.947 1.00 0.00 C ATOM 582 C LYS A 37 0.542 -8.151 -0.030 1.00 0.00 C ATOM 583 O LYS A 37 1.751 -8.008 -0.216 1.00 0.00 O ATOM 584 CB LYS A 37 -0.184 -10.532 0.247 1.00 0.00 C ATOM 585 CG LYS A 37 -0.834 -11.587 1.128 1.00 0.00 C ATOM 586 CD LYS A 37 0.088 -12.015 2.258 1.00 0.00 C ATOM 587 CE LYS A 37 0.825 -13.300 1.919 1.00 0.00 C ATOM 588 NZ LYS A 37 1.899 -13.077 0.912 1.00 0.00 N ATOM 0 H LYS A 37 -2.058 -9.269 1.256 1.00 0.00 H new ATOM 0 HA LYS A 37 0.727 -9.335 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.797 -10.385 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.785 -10.900 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.762 -11.194 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.098 -12.455 0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.809 -11.223 2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.493 -12.157 3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.260 -13.719 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.116 -14.035 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.535 -13.900 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.473 -12.949 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.441 -12.226 1.165 1.00 0.00 H new ATOM 602 N GLU A 38 -0.387 -7.414 -0.632 1.00 0.00 N ATOM 603 CA GLU A 38 -0.049 -6.365 -1.570 1.00 0.00 C ATOM 604 C GLU A 38 0.131 -5.032 -0.839 1.00 0.00 C ATOM 605 O GLU A 38 0.227 -3.979 -1.461 1.00 0.00 O ATOM 606 CB GLU A 38 -1.146 -6.248 -2.622 1.00 0.00 C ATOM 607 CG GLU A 38 -0.972 -7.195 -3.798 1.00 0.00 C ATOM 608 CD GLU A 38 -0.815 -8.639 -3.365 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.202 -8.957 -2.713 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.709 -9.454 -3.677 1.00 0.00 O ATOM 0 H GLU A 38 -1.389 -7.531 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 38 0.892 -6.616 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.110 -6.441 -2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.173 -5.224 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.834 -7.110 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.097 -6.895 -4.375 1.00 0.00 H new ATOM 617 N LEU A 39 0.188 -5.091 0.487 1.00 0.00 N ATOM 618 CA LEU A 39 0.376 -3.895 1.297 1.00 0.00 C ATOM 619 C LEU A 39 1.754 -3.930 1.940 1.00 0.00 C ATOM 620 O LEU A 39 2.395 -2.895 2.123 1.00 0.00 O ATOM 621 CB LEU A 39 -0.715 -3.789 2.366 1.00 0.00 C ATOM 622 CG LEU A 39 -1.557 -2.513 2.302 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.717 -2.685 1.335 1.00 0.00 C ATOM 624 CD2 LEU A 39 -2.066 -2.141 3.687 1.00 0.00 C ATOM 0 H LEU A 39 0.107 -5.955 1.023 1.00 0.00 H new ATOM 0 HA LEU A 39 0.303 -3.016 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.378 -4.649 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.248 -3.850 3.349 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.926 -1.703 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.304 -1.767 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.331 -2.903 0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.349 -3.508 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.663 -1.231 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.681 -2.952 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.219 -1.973 4.353 1.00 0.00 H new ATOM 636 N LEU A 40 2.215 -5.136 2.259 1.00 0.00 N ATOM 637 CA LEU A 40 3.528 -5.317 2.855 1.00 0.00 C ATOM 638 C LEU A 40 4.609 -5.145 1.794 1.00 0.00 C ATOM 639 O LEU A 40 5.739 -4.763 2.099 1.00 0.00 O ATOM 640 CB LEU A 40 3.638 -6.701 3.499 1.00 0.00 C ATOM 641 CG LEU A 40 4.870 -6.908 4.381 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.607 -6.406 5.791 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.268 -8.377 4.401 1.00 0.00 C ATOM 0 H LEU A 40 1.695 -6.001 2.113 1.00 0.00 H new ATOM 0 HA LEU A 40 3.666 -4.563 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.746 -6.877 4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.644 -7.453 2.710 1.00 0.00 H new ATOM 0 HG LEU A 40 5.696 -6.333 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.495 -6.562 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.369 -5.343 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.768 -6.953 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.146 -8.507 5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.445 -8.972 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.498 -8.705 3.387 1.00 0.00 H new ATOM 655 N ARG A 41 4.248 -5.421 0.539 1.00 0.00 N ATOM 656 CA ARG A 41 5.184 -5.286 -0.568 1.00 0.00 C ATOM 657 C ARG A 41 5.551 -3.821 -0.778 1.00 0.00 C ATOM 658 O ARG A 41 6.707 -3.493 -1.051 1.00 0.00 O ATOM 659 CB ARG A 41 4.579 -5.862 -1.849 1.00 0.00 C ATOM 660 CG ARG A 41 4.815 -7.355 -2.015 1.00 0.00 C ATOM 661 CD ARG A 41 6.117 -7.634 -2.748 1.00 0.00 C ATOM 662 NE ARG A 41 7.206 -7.950 -1.828 1.00 0.00 N ATOM 663 CZ ARG A 41 7.277 -9.077 -1.122 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.326 -9.997 -1.229 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.303 -9.285 -0.308 1.00 0.00 N ATOM 0 H ARG A 41 3.317 -5.738 0.269 1.00 0.00 H new ATOM 0 HA ARG A 41 6.089 -5.843 -0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.506 -5.669 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.000 -5.338 -2.707 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.838 -7.832 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.984 -7.797 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.973 -8.465 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.389 -6.765 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 41 7.956 -7.268 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.535 -9.843 -1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.386 -10.858 -0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.037 -8.582 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.358 -10.148 0.233 1.00 0.00 H new ATOM 679 N VAL A 42 4.562 -2.943 -0.641 1.00 0.00 N ATOM 680 CA VAL A 42 4.784 -1.513 -0.808 1.00 0.00 C ATOM 681 C VAL A 42 5.768 -0.996 0.234 1.00 0.00 C ATOM 682 O VAL A 42 6.500 -0.035 -0.009 1.00 0.00 O ATOM 683 CB VAL A 42 3.463 -0.722 -0.701 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.706 0.765 -0.914 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.443 -1.248 -1.699 1.00 0.00 C ATOM 0 H VAL A 42 3.600 -3.198 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 42 5.200 -1.364 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 42 3.063 -0.860 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.761 1.303 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.398 1.133 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.133 0.926 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.518 -0.678 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.836 -1.144 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.243 -2.300 -1.494 1.00 0.00 H new ATOM 695 N GLY A 43 5.790 -1.647 1.392 1.00 0.00 N ATOM 696 CA GLY A 43 6.695 -1.247 2.451 1.00 0.00 C ATOM 697 C GLY A 43 8.113 -1.703 2.178 1.00 0.00 C ATOM 698 O GLY A 43 9.070 -0.975 2.441 1.00 0.00 O ATOM 0 H GLY A 43 5.196 -2.446 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.675 -0.162 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.354 -1.665 3.398 1.00 0.00 H new ATOM 702 N GLN A 44 8.244 -2.910 1.637 1.00 0.00 N ATOM 703 CA GLN A 44 9.552 -3.462 1.314 1.00 0.00 C ATOM 704 C GLN A 44 10.196 -2.671 0.181 1.00 0.00 C ATOM 705 O GLN A 44 11.419 -2.561 0.103 1.00 0.00 O ATOM 706 CB GLN A 44 9.426 -4.935 0.919 1.00 0.00 C ATOM 707 CG GLN A 44 9.363 -5.880 2.107 1.00 0.00 C ATOM 708 CD GLN A 44 10.088 -7.187 1.852 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.481 -8.258 1.859 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.393 -7.106 1.625 1.00 0.00 N ATOM 0 H GLN A 44 7.460 -3.523 1.414 1.00 0.00 H new ATOM 0 HA GLN A 44 10.185 -3.389 2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.529 -5.065 0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.275 -5.208 0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.798 -5.391 2.979 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.320 -6.088 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.856 -6.197 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.933 -7.953 1.447 1.00 0.00 H new ATOM 719 N ILE A 45 9.360 -2.113 -0.691 1.00 0.00 N ATOM 720 CA ILE A 45 9.843 -1.324 -1.814 1.00 0.00 C ATOM 721 C ILE A 45 10.509 -0.042 -1.324 1.00 0.00 C ATOM 722 O ILE A 45 11.644 0.259 -1.690 1.00 0.00 O ATOM 723 CB ILE A 45 8.692 -0.968 -2.781 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.101 -2.242 -3.388 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.175 -0.027 -3.880 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.645 -2.107 -3.777 1.00 0.00 C ATOM 0 H ILE A 45 8.345 -2.194 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 45 10.576 -1.929 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 45 7.915 -0.454 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.680 -2.517 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.203 -3.057 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.346 0.209 -4.548 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.553 0.892 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.972 -0.508 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.293 -3.048 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.054 -1.862 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.538 -1.314 -4.517 1.00 0.00 H new ATOM 738 N LEU A 46 9.796 0.704 -0.490 1.00 0.00 N ATOM 739 CA LEU A 46 10.319 1.950 0.055 1.00 0.00 C ATOM 740 C LEU A 46 11.473 1.676 1.010 1.00 0.00 C ATOM 741 O LEU A 46 12.449 2.425 1.054 1.00 0.00 O ATOM 742 CB LEU A 46 9.211 2.714 0.783 1.00 0.00 C ATOM 743 CG LEU A 46 8.244 3.483 -0.120 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.856 4.807 -0.551 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.860 2.649 -1.335 1.00 0.00 C ATOM 0 H LEU A 46 8.855 0.468 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 46 10.688 2.558 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.638 2.006 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.672 3.418 1.476 1.00 0.00 H new ATOM 0 HG LEU A 46 7.338 3.691 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.155 5.340 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.074 5.411 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.779 4.620 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.172 3.216 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.755 2.405 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.377 1.729 -1.007 1.00 0.00 H new ATOM 757 N LYS A 47 11.355 0.594 1.769 1.00 0.00 N ATOM 758 CA LYS A 47 12.388 0.212 2.723 1.00 0.00 C ATOM 759 C LYS A 47 13.585 -0.401 2.004 1.00 0.00 C ATOM 760 O LYS A 47 14.713 -0.343 2.495 1.00 0.00 O ATOM 761 CB LYS A 47 11.828 -0.780 3.745 1.00 0.00 C ATOM 762 CG LYS A 47 12.696 -0.930 4.984 1.00 0.00 C ATOM 763 CD LYS A 47 13.716 -2.045 4.817 1.00 0.00 C ATOM 764 CE LYS A 47 13.230 -3.343 5.439 1.00 0.00 C ATOM 765 NZ LYS A 47 13.504 -3.396 6.902 1.00 0.00 N ATOM 0 H LYS A 47 10.553 -0.035 1.742 1.00 0.00 H new ATOM 0 HA LYS A 47 12.718 1.110 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.832 -0.456 4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.716 -1.754 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.211 0.009 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.066 -1.138 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.916 -2.201 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.658 -1.750 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.159 -3.449 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.717 -4.185 4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.157 -4.297 7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.528 -3.320 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.018 -2.607 7.375 1.00 0.00 H new ATOM 779 N GLU A 48 13.333 -0.988 0.838 1.00 0.00 N ATOM 780 CA GLU A 48 14.392 -1.609 0.053 1.00 0.00 C ATOM 781 C GLU A 48 15.458 -0.582 -0.325 1.00 0.00 C ATOM 782 O GLU A 48 15.195 0.330 -1.108 1.00 0.00 O ATOM 783 CB GLU A 48 13.810 -2.249 -1.211 1.00 0.00 C ATOM 784 CG GLU A 48 13.586 -3.747 -1.086 1.00 0.00 C ATOM 785 CD GLU A 48 14.868 -4.541 -1.240 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.241 -4.852 -2.390 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.500 -4.854 -0.208 1.00 0.00 O ATOM 0 H GLU A 48 12.406 -1.046 0.417 1.00 0.00 H new ATOM 0 HA GLU A 48 14.858 -2.384 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.862 -1.767 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.483 -2.059 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.142 -3.965 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.870 -4.068 -1.843 1.00 0.00 H new ATOM 794 N PRO A 49 16.679 -0.713 0.224 1.00 0.00 N ATOM 795 CA PRO A 49 17.778 0.217 -0.065 1.00 0.00 C ATOM 796 C PRO A 49 17.950 0.480 -1.558 1.00 0.00 C ATOM 797 O PRO A 49 18.454 1.529 -1.959 1.00 0.00 O ATOM 798 CB PRO A 49 19.003 -0.505 0.496 1.00 0.00 C ATOM 799 CG PRO A 49 18.468 -1.349 1.599 1.00 0.00 C ATOM 800 CD PRO A 49 17.088 -1.770 1.171 1.00 0.00 C ATOM 0 HA PRO A 49 17.603 1.200 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.490 -1.112 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.747 0.202 0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.105 -2.217 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.433 -0.791 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.098 -2.751 0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.407 -1.833 2.020 1.00 0.00 H new ATOM 808 N LYS A 50 17.532 -0.480 -2.378 1.00 0.00 N ATOM 809 CA LYS A 50 17.645 -0.350 -3.827 1.00 0.00 C ATOM 810 C LYS A 50 16.555 0.562 -4.384 1.00 0.00 C ATOM 811 O LYS A 50 16.742 1.208 -5.416 1.00 0.00 O ATOM 812 CB LYS A 50 17.561 -1.725 -4.491 1.00 0.00 C ATOM 813 CG LYS A 50 18.019 -1.730 -5.939 1.00 0.00 C ATOM 814 CD LYS A 50 17.374 -2.862 -6.723 1.00 0.00 C ATOM 815 CE LYS A 50 18.207 -4.131 -6.658 1.00 0.00 C ATOM 816 NZ LYS A 50 19.122 -4.256 -7.826 1.00 0.00 N ATOM 0 H LYS A 50 17.113 -1.355 -2.064 1.00 0.00 H new ATOM 0 HA LYS A 50 18.614 0.097 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.168 -2.431 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.532 -2.080 -4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.770 -0.776 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.104 -1.830 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.378 -3.059 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.249 -2.561 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.791 -4.135 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.546 -4.997 -6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.672 -5.135 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.564 -4.278 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.770 -3.443 -7.848 1.00 0.00 H new ATOM 830 N MET A 51 15.416 0.610 -3.701 1.00 0.00 N ATOM 831 CA MET A 51 14.299 1.441 -4.135 1.00 0.00 C ATOM 832 C MET A 51 14.206 2.719 -3.307 1.00 0.00 C ATOM 833 O MET A 51 13.703 3.739 -3.777 1.00 0.00 O ATOM 834 CB MET A 51 12.988 0.657 -4.036 1.00 0.00 C ATOM 835 CG MET A 51 12.538 0.061 -5.360 1.00 0.00 C ATOM 836 SD MET A 51 13.220 -1.584 -5.647 1.00 0.00 S ATOM 837 CE MET A 51 12.644 -2.447 -4.188 1.00 0.00 C ATOM 0 H MET A 51 15.242 0.083 -2.845 1.00 0.00 H new ATOM 0 HA MET A 51 14.473 1.721 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.107 -0.145 -3.307 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.207 1.317 -3.659 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.449 0.007 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.839 0.722 -6.173 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.436 -3.094 -3.812 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.372 -1.723 -3.420 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.773 -3.050 -4.442 1.00 0.00 H new ATOM 847 N ALA A 52 14.696 2.659 -2.072 1.00 0.00 N ATOM 848 CA ALA A 52 14.667 3.814 -1.182 1.00 0.00 C ATOM 849 C ALA A 52 15.366 5.012 -1.815 1.00 0.00 C ATOM 850 O ALA A 52 15.040 6.160 -1.518 1.00 0.00 O ATOM 851 CB ALA A 52 15.312 3.467 0.152 1.00 0.00 C ATOM 0 H ALA A 52 15.117 1.824 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 52 13.625 4.084 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.284 4.338 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.767 2.645 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.348 3.169 -0.011 1.00 0.00 H new ATOM 857 N ALA A 53 16.328 4.737 -2.690 1.00 0.00 N ATOM 858 CA ALA A 53 17.068 5.795 -3.365 1.00 0.00 C ATOM 859 C ALA A 53 16.339 6.276 -4.619 1.00 0.00 C ATOM 860 O ALA A 53 16.855 7.110 -5.362 1.00 0.00 O ATOM 861 CB ALA A 53 18.467 5.313 -3.720 1.00 0.00 C ATOM 0 H ALA A 53 16.612 3.792 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 53 17.144 6.640 -2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.010 6.112 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.997 5.032 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.397 4.449 -4.381 1.00 0.00 H new ATOM 867 N SER A 54 15.139 5.747 -4.855 1.00 0.00 N ATOM 868 CA SER A 54 14.356 6.131 -6.024 1.00 0.00 C ATOM 869 C SER A 54 12.995 6.689 -5.618 1.00 0.00 C ATOM 870 O SER A 54 12.511 7.656 -6.206 1.00 0.00 O ATOM 871 CB SER A 54 14.168 4.930 -6.953 1.00 0.00 C ATOM 872 OG SER A 54 15.416 4.446 -7.420 1.00 0.00 O ATOM 0 H SER A 54 14.691 5.055 -4.254 1.00 0.00 H new ATOM 0 HA SER A 54 14.903 6.913 -6.551 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.641 4.136 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.545 5.216 -7.801 1.00 0.00 H new ATOM 0 HG SER A 54 15.269 3.678 -8.010 1.00 0.00 H new ATOM 878 N LEU A 55 12.379 6.075 -4.613 1.00 0.00 N ATOM 879 CA LEU A 55 11.071 6.515 -4.138 1.00 0.00 C ATOM 880 C LEU A 55 11.194 7.740 -3.233 1.00 0.00 C ATOM 881 O LEU A 55 10.229 8.481 -3.047 1.00 0.00 O ATOM 882 CB LEU A 55 10.368 5.381 -3.392 1.00 0.00 C ATOM 883 CG LEU A 55 9.723 4.320 -4.291 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.408 2.974 -4.109 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.234 4.205 -4.002 1.00 0.00 C ATOM 0 H LEU A 55 12.763 5.273 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 55 10.476 6.793 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.091 4.892 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.598 5.810 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 55 9.848 4.631 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.935 2.235 -4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.462 3.064 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.318 2.657 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.795 3.447 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.086 3.921 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.752 5.165 -4.188 1.00 0.00 H new ATOM 897 N LEU A 56 12.382 7.949 -2.674 1.00 0.00 N ATOM 898 CA LEU A 56 12.621 9.086 -1.793 1.00 0.00 C ATOM 899 C LEU A 56 13.384 10.188 -2.521 1.00 0.00 C ATOM 900 O LEU A 56 13.225 11.371 -2.215 1.00 0.00 O ATOM 901 CB LEU A 56 13.402 8.643 -0.553 1.00 0.00 C ATOM 902 CG LEU A 56 13.833 9.776 0.381 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.983 9.263 1.806 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.134 10.403 -0.104 1.00 0.00 C ATOM 0 H LEU A 56 13.193 7.347 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 56 11.654 9.482 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.789 7.941 0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.291 8.102 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 56 13.059 10.544 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.290 10.082 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.030 8.863 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.737 8.476 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.425 11.207 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.917 9.645 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.992 10.806 -1.107 1.00 0.00 H new ATOM 916 N ASN A 57 14.215 9.795 -3.481 1.00 0.00 N ATOM 917 CA ASN A 57 15.005 10.752 -4.246 1.00 0.00 C ATOM 918 C ASN A 57 14.106 11.758 -4.962 1.00 0.00 C ATOM 919 O ASN A 57 12.884 11.617 -4.968 1.00 0.00 O ATOM 920 CB ASN A 57 15.886 10.020 -5.259 1.00 0.00 C ATOM 921 CG ASN A 57 17.275 9.739 -4.720 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.345 8.987 -3.628 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 18.274 10.192 -5.278 1.00 0.00 N flip ATOM 0 H ASN A 57 14.358 8.821 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 57 15.641 11.299 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.410 9.080 -5.538 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.966 10.618 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.174 10.766 -6.115 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.202 9.994 -4.903 1.00 0.00 H new ATOM 930 N PRO A 58 14.705 12.795 -5.574 1.00 0.00 N ATOM 931 CA PRO A 58 13.958 13.837 -6.292 1.00 0.00 C ATOM 932 C PRO A 58 13.251 13.309 -7.541 1.00 0.00 C ATOM 933 O PRO A 58 12.485 14.032 -8.178 1.00 0.00 O ATOM 934 CB PRO A 58 15.037 14.857 -6.687 1.00 0.00 C ATOM 935 CG PRO A 58 16.227 14.522 -5.854 1.00 0.00 C ATOM 936 CD PRO A 58 16.152 13.044 -5.607 1.00 0.00 C ATOM 0 HA PRO A 58 13.164 14.251 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.270 14.789 -7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.701 15.877 -6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 58 17.151 14.786 -6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 58 16.216 15.076 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.643 12.476 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.632 12.765 -4.669 1.00 0.00 H new ATOM 944 N TYR A 59 13.512 12.053 -7.891 1.00 0.00 N ATOM 945 CA TYR A 59 12.901 11.445 -9.067 1.00 0.00 C ATOM 946 C TYR A 59 11.525 10.861 -8.745 1.00 0.00 C ATOM 947 O TYR A 59 10.779 10.480 -9.648 1.00 0.00 O ATOM 948 CB TYR A 59 13.813 10.355 -9.630 1.00 0.00 C ATOM 949 CG TYR A 59 15.187 10.859 -10.011 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.115 11.208 -9.037 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.555 10.989 -11.344 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.369 11.673 -9.380 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.809 11.452 -11.696 1.00 0.00 C ATOM 954 CZ TYR A 59 17.711 11.794 -10.711 1.00 0.00 C ATOM 955 OH TYR A 59 18.960 12.256 -11.057 1.00 0.00 O ATOM 0 H TYR A 59 14.142 11.437 -7.377 1.00 0.00 H new ATOM 0 HA TYR A 59 12.768 12.227 -9.815 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.918 9.561 -8.890 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.340 9.913 -10.507 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.851 11.114 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 59 14.850 10.724 -12.118 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.078 11.940 -8.611 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.081 11.545 -12.737 1.00 0.00 H new ATOM 0 HH TYR A 59 19.041 12.280 -12.033 1.00 0.00 H new ATOM 965 N VAL A 60 11.190 10.791 -7.459 1.00 0.00 N ATOM 966 CA VAL A 60 9.902 10.253 -7.036 1.00 0.00 C ATOM 967 C VAL A 60 8.820 11.329 -7.079 1.00 0.00 C ATOM 968 O VAL A 60 8.173 11.616 -6.071 1.00 0.00 O ATOM 969 CB VAL A 60 9.979 9.662 -5.614 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.333 10.740 -4.599 1.00 0.00 C ATOM 971 CG2 VAL A 60 8.669 8.980 -5.247 1.00 0.00 C ATOM 0 H VAL A 60 11.791 11.099 -6.695 1.00 0.00 H new ATOM 0 HA VAL A 60 9.643 9.456 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 60 10.770 8.912 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.382 10.300 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.300 11.174 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.571 11.519 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.742 8.569 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.858 9.707 -5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.467 8.175 -5.954 1.00 0.00 H new ATOM 981 N LYS A 61 8.629 11.920 -8.253 1.00 0.00 N ATOM 982 CA LYS A 61 7.625 12.965 -8.431 1.00 0.00 C ATOM 983 C LYS A 61 6.242 12.473 -8.016 1.00 0.00 C ATOM 984 O LYS A 61 6.097 11.363 -7.502 1.00 0.00 O ATOM 985 CB LYS A 61 7.598 13.430 -9.888 1.00 0.00 C ATOM 986 CG LYS A 61 7.351 14.922 -10.046 1.00 0.00 C ATOM 987 CD LYS A 61 8.112 15.490 -11.234 1.00 0.00 C ATOM 988 CE LYS A 61 7.273 15.457 -12.500 1.00 0.00 C ATOM 989 NZ LYS A 61 7.757 16.434 -13.514 1.00 0.00 N ATOM 0 H LYS A 61 9.156 11.694 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 61 7.896 13.805 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.547 13.175 -10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.820 12.883 -10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.284 15.104 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.654 15.440 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.409 16.517 -11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.027 14.919 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.295 14.453 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.234 15.675 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.158 16.380 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.712 17.395 -13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.740 16.211 -13.770 1.00 0.00 H new ATOM 1003 N ARG A 62 5.230 13.303 -8.244 1.00 0.00 N ATOM 1004 CA ARG A 62 3.858 12.951 -7.894 1.00 0.00 C ATOM 1005 C ARG A 62 3.106 12.419 -9.111 1.00 0.00 C ATOM 1006 O ARG A 62 1.894 12.593 -9.228 1.00 0.00 O ATOM 1007 CB ARG A 62 3.128 14.165 -7.318 1.00 0.00 C ATOM 1008 CG ARG A 62 2.092 13.807 -6.265 1.00 0.00 C ATOM 1009 CD ARG A 62 2.734 13.585 -4.905 1.00 0.00 C ATOM 1010 NE ARG A 62 2.643 14.770 -4.056 1.00 0.00 N ATOM 1011 CZ ARG A 62 2.963 14.782 -2.764 1.00 0.00 C ATOM 1012 NH1 ARG A 62 3.395 13.677 -2.170 1.00 0.00 N ATOM 1013 NH2 ARG A 62 2.851 15.903 -2.064 1.00 0.00 N ATOM 0 H ARG A 62 5.333 14.224 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 62 3.892 12.166 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.859 14.845 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.638 14.703 -8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.353 14.605 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.559 12.906 -6.569 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.249 12.745 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.781 13.314 -5.039 1.00 0.00 H new ATOM 0 HE ARG A 62 2.315 15.639 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.483 12.812 -2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.639 13.692 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.520 16.755 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.096 15.913 -1.074 1.00 0.00 H new ATOM 1027 N SER A 63 3.837 11.771 -10.013 1.00 0.00 N ATOM 1028 CA SER A 63 3.244 11.213 -11.221 1.00 0.00 C ATOM 1029 C SER A 63 4.185 10.200 -11.864 1.00 0.00 C ATOM 1030 O SER A 63 3.764 9.119 -12.275 1.00 0.00 O ATOM 1031 CB SER A 63 2.915 12.327 -12.217 1.00 0.00 C ATOM 1032 OG SER A 63 1.606 12.829 -12.007 1.00 0.00 O ATOM 0 H SER A 63 4.842 11.620 -9.929 1.00 0.00 H new ATOM 0 HA SER A 63 2.321 10.704 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.639 13.136 -12.115 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.003 11.947 -13.235 1.00 0.00 H new ATOM 0 HG SER A 63 1.417 12.858 -11.046 1.00 0.00 H new ATOM 1038 N VAL A 64 5.463 10.558 -11.943 1.00 0.00 N ATOM 1039 CA VAL A 64 6.465 9.680 -12.531 1.00 0.00 C ATOM 1040 C VAL A 64 6.555 8.367 -11.763 1.00 0.00 C ATOM 1041 O VAL A 64 6.444 7.287 -12.344 1.00 0.00 O ATOM 1042 CB VAL A 64 7.854 10.348 -12.552 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.862 9.472 -13.281 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.774 11.727 -13.193 1.00 0.00 C ATOM 0 H VAL A 64 5.827 11.449 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 64 6.153 9.480 -13.556 1.00 0.00 H new ATOM 0 HB VAL A 64 8.192 10.468 -11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.835 9.963 -13.284 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.942 8.510 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.532 9.315 -14.308 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.764 12.183 -13.199 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.412 11.632 -14.217 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.089 12.354 -12.623 1.00 0.00 H new ATOM 1054 N LYS A 65 6.754 8.467 -10.453 1.00 0.00 N ATOM 1055 CA LYS A 65 6.855 7.286 -9.604 1.00 0.00 C ATOM 1056 C LYS A 65 5.567 6.471 -9.659 1.00 0.00 C ATOM 1057 O LYS A 65 5.587 5.249 -9.509 1.00 0.00 O ATOM 1058 CB LYS A 65 7.154 7.694 -8.160 1.00 0.00 C ATOM 1059 CG LYS A 65 7.690 6.557 -7.305 1.00 0.00 C ATOM 1060 CD LYS A 65 9.108 6.178 -7.706 1.00 0.00 C ATOM 1061 CE LYS A 65 9.210 4.708 -8.081 1.00 0.00 C ATOM 1062 NZ LYS A 65 10.396 4.433 -8.936 1.00 0.00 N ATOM 0 H LYS A 65 6.848 9.353 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 65 7.673 6.668 -9.975 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.879 8.508 -8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.243 8.082 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.674 6.851 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.039 5.688 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.425 6.792 -8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.789 6.392 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.269 4.106 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.305 4.404 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.083 4.201 -9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.007 5.274 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.929 3.631 -8.543 1.00 0.00 H new ATOM 1076 N VAL A 66 4.449 7.156 -9.874 1.00 0.00 N ATOM 1077 CA VAL A 66 3.151 6.496 -9.950 1.00 0.00 C ATOM 1078 C VAL A 66 3.049 5.631 -11.202 1.00 0.00 C ATOM 1079 O VAL A 66 2.497 4.532 -11.164 1.00 0.00 O ATOM 1080 CB VAL A 66 1.999 7.521 -9.951 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.655 6.813 -9.873 1.00 0.00 C ATOM 1082 CG2 VAL A 66 2.158 8.506 -8.802 1.00 0.00 C ATOM 0 H VAL A 66 4.416 8.168 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 66 3.063 5.864 -9.066 1.00 0.00 H new ATOM 0 HB VAL A 66 2.036 8.080 -10.886 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.146 7.552 -9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.541 6.152 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.605 6.226 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.336 9.221 -8.819 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.149 7.966 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.104 9.038 -8.907 1.00 0.00 H new ATOM 1092 N LYS A 67 3.588 6.134 -12.309 1.00 0.00 N ATOM 1093 CA LYS A 67 3.557 5.404 -13.571 1.00 0.00 C ATOM 1094 C LYS A 67 4.457 4.175 -13.506 1.00 0.00 C ATOM 1095 O LYS A 67 4.092 3.099 -13.980 1.00 0.00 O ATOM 1096 CB LYS A 67 3.995 6.312 -14.721 1.00 0.00 C ATOM 1097 CG LYS A 67 3.298 6.004 -16.036 1.00 0.00 C ATOM 1098 CD LYS A 67 3.600 7.062 -17.086 1.00 0.00 C ATOM 1099 CE LYS A 67 2.427 7.257 -18.033 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.360 8.650 -18.555 1.00 0.00 N ATOM 0 H LYS A 67 4.050 7.042 -12.357 1.00 0.00 H new ATOM 0 HA LYS A 67 2.533 5.075 -13.749 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.799 7.349 -14.449 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.072 6.217 -14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.618 5.027 -16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.222 5.947 -15.874 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.834 8.007 -16.595 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.483 6.771 -17.654 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.514 6.561 -18.867 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.498 7.019 -17.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.547 8.741 -19.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.251 9.313 -17.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.235 8.869 -19.072 1.00 0.00 H new ATOM 1114 N SER A 68 5.635 4.341 -12.913 1.00 0.00 N ATOM 1115 CA SER A 68 6.586 3.244 -12.783 1.00 0.00 C ATOM 1116 C SER A 68 6.059 2.180 -11.825 1.00 0.00 C ATOM 1117 O SER A 68 6.359 0.996 -11.971 1.00 0.00 O ATOM 1118 CB SER A 68 7.936 3.767 -12.291 1.00 0.00 C ATOM 1119 OG SER A 68 7.928 3.961 -10.887 1.00 0.00 O ATOM 0 H SER A 68 5.953 5.225 -12.515 1.00 0.00 H new ATOM 0 HA SER A 68 6.717 2.790 -13.765 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.722 3.061 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.168 4.708 -12.790 1.00 0.00 H new ATOM 0 HG SER A 68 7.090 4.393 -10.621 1.00 0.00 H new ATOM 1125 N LEU A 69 5.272 2.613 -10.845 1.00 0.00 N ATOM 1126 CA LEU A 69 4.702 1.698 -9.863 1.00 0.00 C ATOM 1127 C LEU A 69 3.656 0.792 -10.506 1.00 0.00 C ATOM 1128 O LEU A 69 3.516 -0.372 -10.133 1.00 0.00 O ATOM 1129 CB LEU A 69 4.077 2.484 -8.706 1.00 0.00 C ATOM 1130 CG LEU A 69 4.546 2.065 -7.312 1.00 0.00 C ATOM 1131 CD1 LEU A 69 6.025 2.371 -7.132 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.721 2.764 -6.241 1.00 0.00 C ATOM 0 H LEU A 69 5.015 3.591 -10.710 1.00 0.00 H new ATOM 0 HA LEU A 69 5.506 1.073 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.298 3.542 -8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.994 2.375 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 69 4.404 0.989 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.341 2.066 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.603 1.826 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.193 3.441 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.068 2.455 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.832 3.844 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.671 2.495 -6.357 1.00 0.00 H new ATOM 1144 N SER A 70 2.925 1.334 -11.474 1.00 0.00 N ATOM 1145 CA SER A 70 1.891 0.574 -12.168 1.00 0.00 C ATOM 1146 C SER A 70 2.507 -0.541 -13.003 1.00 0.00 C ATOM 1147 O SER A 70 1.972 -1.647 -13.067 1.00 0.00 O ATOM 1148 CB SER A 70 1.055 1.497 -13.057 1.00 0.00 C ATOM 1149 OG SER A 70 -0.003 2.090 -12.324 1.00 0.00 O ATOM 0 H SER A 70 3.029 2.296 -11.796 1.00 0.00 H new ATOM 0 HA SER A 70 1.241 0.124 -11.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.691 2.276 -13.478 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.648 0.930 -13.895 1.00 0.00 H new ATOM 0 HG SER A 70 -0.521 2.676 -12.914 1.00 0.00 H new ATOM 1155 N ASP A 71 3.639 -0.252 -13.629 1.00 0.00 N ATOM 1156 CA ASP A 71 4.328 -1.244 -14.440 1.00 0.00 C ATOM 1157 C ASP A 71 5.226 -2.098 -13.559 1.00 0.00 C ATOM 1158 O ASP A 71 5.451 -3.276 -13.834 1.00 0.00 O ATOM 1159 CB ASP A 71 5.150 -0.569 -15.540 1.00 0.00 C ATOM 1160 CG ASP A 71 5.506 -1.523 -16.664 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.704 -2.440 -16.942 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.587 -1.354 -17.265 1.00 0.00 O ATOM 0 H ASP A 71 4.098 0.658 -13.591 1.00 0.00 H new ATOM 0 HA ASP A 71 3.584 -1.883 -14.916 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.588 0.272 -15.946 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.065 -0.163 -15.109 1.00 0.00 H new ATOM 1167 N MET A 72 5.719 -1.495 -12.483 1.00 0.00 N ATOM 1168 CA MET A 72 6.572 -2.200 -11.542 1.00 0.00 C ATOM 1169 C MET A 72 5.733 -3.099 -10.652 1.00 0.00 C ATOM 1170 O MET A 72 6.216 -4.120 -10.161 1.00 0.00 O ATOM 1171 CB MET A 72 7.373 -1.208 -10.694 1.00 0.00 C ATOM 1172 CG MET A 72 8.212 -1.867 -9.611 1.00 0.00 C ATOM 1173 SD MET A 72 8.890 -0.676 -8.438 1.00 0.00 S ATOM 1174 CE MET A 72 7.445 -0.325 -7.440 1.00 0.00 C ATOM 0 H MET A 72 5.541 -0.520 -12.243 1.00 0.00 H new ATOM 0 HA MET A 72 7.275 -2.816 -12.103 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.027 -0.631 -11.347 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.684 -0.503 -10.229 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.601 -2.593 -9.074 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.029 -2.420 -10.075 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.695 0.425 -6.689 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.645 0.052 -8.078 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.114 -1.238 -6.945 1.00 0.00 H new ATOM 1184 N THR A 73 4.467 -2.733 -10.452 1.00 0.00 N ATOM 1185 CA THR A 73 3.592 -3.546 -9.629 1.00 0.00 C ATOM 1186 C THR A 73 3.391 -4.903 -10.275 1.00 0.00 C ATOM 1187 O THR A 73 3.224 -5.911 -9.587 1.00 0.00 O ATOM 1188 CB THR A 73 2.242 -2.880 -9.403 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.477 -3.659 -8.515 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.417 -2.712 -10.652 1.00 0.00 C ATOM 0 H THR A 73 4.037 -1.895 -10.843 1.00 0.00 H new ATOM 0 HA THR A 73 4.071 -3.665 -8.657 1.00 0.00 H new ATOM 0 HB THR A 73 2.472 -1.889 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.989 -3.818 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.472 -2.230 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.961 -2.095 -11.367 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.220 -3.690 -11.092 1.00 0.00 H new ATOM 1198 N ALA A 74 3.428 -4.933 -11.606 1.00 0.00 N ATOM 1199 CA ALA A 74 3.270 -6.184 -12.330 1.00 0.00 C ATOM 1200 C ALA A 74 4.222 -7.232 -11.768 1.00 0.00 C ATOM 1201 O ALA A 74 3.951 -8.432 -11.829 1.00 0.00 O ATOM 1202 CB ALA A 74 3.517 -5.975 -13.817 1.00 0.00 C ATOM 0 H ALA A 74 3.565 -4.112 -12.196 1.00 0.00 H new ATOM 0 HA ALA A 74 2.247 -6.538 -12.204 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.394 -6.922 -14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.803 -5.249 -14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.531 -5.604 -13.969 1.00 0.00 H new ATOM 1208 N LYS A 75 5.339 -6.765 -11.210 1.00 0.00 N ATOM 1209 CA LYS A 75 6.328 -7.659 -10.626 1.00 0.00 C ATOM 1210 C LYS A 75 6.236 -7.670 -9.101 1.00 0.00 C ATOM 1211 O LYS A 75 6.726 -8.595 -8.454 1.00 0.00 O ATOM 1212 CB LYS A 75 7.737 -7.257 -11.064 1.00 0.00 C ATOM 1213 CG LYS A 75 8.168 -7.888 -12.378 1.00 0.00 C ATOM 1214 CD LYS A 75 9.060 -6.952 -13.178 1.00 0.00 C ATOM 1215 CE LYS A 75 8.883 -7.159 -14.674 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.647 -8.338 -15.167 1.00 0.00 N ATOM 0 H LYS A 75 5.577 -5.775 -11.152 1.00 0.00 H new ATOM 0 HA LYS A 75 6.118 -8.666 -10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.783 -6.172 -11.159 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.445 -7.540 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.700 -8.818 -12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.287 -8.144 -12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.827 -5.918 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.102 -7.120 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.825 -7.292 -14.899 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.212 -6.266 -15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.499 -8.444 -16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.660 -8.200 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.316 -9.195 -14.679 1.00 0.00 H new ATOM 1230 N GLU A 76 5.606 -6.647 -8.526 1.00 0.00 N ATOM 1231 CA GLU A 76 5.463 -6.570 -7.080 1.00 0.00 C ATOM 1232 C GLU A 76 4.415 -7.563 -6.593 1.00 0.00 C ATOM 1233 O GLU A 76 4.733 -8.507 -5.870 1.00 0.00 O ATOM 1234 CB GLU A 76 5.082 -5.152 -6.655 1.00 0.00 C ATOM 1235 CG GLU A 76 5.722 -4.718 -5.348 1.00 0.00 C ATOM 1236 CD GLU A 76 7.220 -4.516 -5.472 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.663 -3.981 -6.509 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.949 -4.894 -4.530 1.00 0.00 O ATOM 0 H GLU A 76 5.191 -5.868 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 76 6.421 -6.825 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.372 -4.455 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.998 -5.089 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.260 -3.789 -5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.522 -5.468 -4.583 1.00 0.00 H new ATOM 1245 N LYS A 77 3.165 -7.340 -7.004 1.00 0.00 N ATOM 1246 CA LYS A 77 2.040 -8.205 -6.629 1.00 0.00 C ATOM 1247 C LYS A 77 0.711 -7.483 -6.840 1.00 0.00 C ATOM 1248 O LYS A 77 -0.288 -8.098 -7.218 1.00 0.00 O ATOM 1249 CB LYS A 77 2.140 -8.656 -5.162 1.00 0.00 C ATOM 1250 CG LYS A 77 2.140 -10.168 -4.986 1.00 0.00 C ATOM 1251 CD LYS A 77 3.266 -10.827 -5.767 1.00 0.00 C ATOM 1252 CE LYS A 77 4.494 -11.046 -4.897 1.00 0.00 C ATOM 1253 NZ LYS A 77 4.378 -12.281 -4.073 1.00 0.00 N ATOM 0 H LYS A 77 2.903 -6.558 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 77 2.084 -9.085 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.053 -8.248 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.305 -8.234 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.241 -10.411 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.183 -10.572 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.924 -11.783 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.531 -10.204 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.379 -11.113 -5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.634 -10.185 -4.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.235 -12.394 -3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.548 -12.207 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.270 -13.106 -4.697 1.00 0.00 H new ATOM 1267 N PHE A 78 0.704 -6.178 -6.579 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.501 -5.364 -6.723 1.00 0.00 C ATOM 1269 C PHE A 78 -1.146 -5.538 -8.074 1.00 0.00 C ATOM 1270 O PHE A 78 -0.708 -6.344 -8.893 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.192 -3.881 -6.536 1.00 0.00 C ATOM 1272 CG PHE A 78 0.930 -3.622 -5.598 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.917 -4.164 -4.329 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.010 -2.858 -5.995 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.971 -3.944 -3.466 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.065 -2.635 -5.143 1.00 0.00 C ATOM 1277 CZ PHE A 78 3.050 -3.180 -3.874 1.00 0.00 C ATOM 0 H PHE A 78 1.524 -5.659 -6.265 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.188 -5.707 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.047 -3.443 -7.505 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.085 -3.376 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.077 -4.764 -4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.026 -2.431 -6.987 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.954 -4.368 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.904 -2.035 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.878 -3.010 -3.202 1.00 0.00 H new ATOM 1287 N SER A 79 -2.181 -4.732 -8.285 1.00 0.00 N ATOM 1288 CA SER A 79 -2.939 -4.703 -9.528 1.00 0.00 C ATOM 1289 C SER A 79 -4.439 -4.613 -9.265 1.00 0.00 C ATOM 1290 O SER A 79 -5.153 -3.912 -9.978 1.00 0.00 O ATOM 1291 CB SER A 79 -2.657 -5.923 -10.416 1.00 0.00 C ATOM 1292 OG SER A 79 -1.444 -5.764 -11.133 1.00 0.00 O ATOM 0 H SER A 79 -2.521 -4.071 -7.586 1.00 0.00 H new ATOM 0 HA SER A 79 -2.609 -3.809 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.604 -6.820 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.481 -6.065 -11.116 1.00 0.00 H new ATOM 0 HG SER A 79 -0.686 -5.912 -10.530 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.958 -5.365 -8.280 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.374 -5.389 -7.991 1.00 0.00 C ATOM 1300 C PRO A 80 -6.813 -4.524 -6.817 1.00 0.00 C ATOM 1301 O PRO A 80 -7.465 -3.499 -7.016 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.604 -6.868 -7.692 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.290 -7.377 -7.158 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.246 -6.309 -7.419 1.00 0.00 C ATOM 0 HA PRO A 80 -6.955 -4.976 -8.815 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.403 -7.002 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.899 -7.409 -8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.365 -7.586 -6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.013 -8.311 -7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.908 -5.839 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.363 -6.718 -7.910 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.478 -4.926 -5.596 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.880 -4.149 -4.436 1.00 0.00 C ATOM 1314 C LEU A 81 -5.755 -3.235 -4.011 1.00 0.00 C ATOM 1315 O LEU A 81 -5.821 -2.572 -2.977 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.287 -5.062 -3.289 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.751 -5.508 -3.312 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.675 -4.317 -3.102 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.071 -6.207 -4.623 1.00 0.00 C ATOM 0 H LEU A 81 -5.940 -5.768 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.744 -3.542 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.652 -5.948 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.093 -4.548 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.911 -6.214 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.712 -4.653 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.461 -3.856 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.515 -3.588 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.116 -6.518 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.896 -5.522 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.432 -7.083 -4.734 1.00 0.00 H new ATOM 1331 N THR A 82 -4.721 -3.210 -4.831 1.00 0.00 N ATOM 1332 CA THR A 82 -3.568 -2.390 -4.577 1.00 0.00 C ATOM 1333 C THR A 82 -3.270 -1.499 -5.776 1.00 0.00 C ATOM 1334 O THR A 82 -2.336 -0.701 -5.741 1.00 0.00 O ATOM 1335 CB THR A 82 -2.376 -3.269 -4.247 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.769 -4.628 -4.151 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.703 -2.886 -2.947 1.00 0.00 C ATOM 0 H THR A 82 -4.664 -3.759 -5.689 1.00 0.00 H new ATOM 0 HA THR A 82 -3.773 -1.744 -3.723 1.00 0.00 H new ATOM 0 HB THR A 82 -1.666 -3.124 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.313 -4.755 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.858 -3.550 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.349 -1.857 -3.010 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.417 -2.974 -2.128 1.00 0.00 H new ATOM 1345 N SER A 83 -4.081 -1.615 -6.834 1.00 0.00 N ATOM 1346 CA SER A 83 -3.886 -0.785 -8.013 1.00 0.00 C ATOM 1347 C SER A 83 -4.673 0.513 -7.877 1.00 0.00 C ATOM 1348 O SER A 83 -5.101 1.114 -8.862 1.00 0.00 O ATOM 1349 CB SER A 83 -4.306 -1.517 -9.283 1.00 0.00 C ATOM 1350 OG SER A 83 -4.304 -0.646 -10.400 1.00 0.00 O ATOM 0 H SER A 83 -4.864 -2.266 -6.892 1.00 0.00 H new ATOM 0 HA SER A 83 -2.823 -0.557 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.628 -2.350 -9.467 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.302 -1.940 -9.150 1.00 0.00 H new ATOM 0 HG SER A 83 -4.989 0.044 -10.278 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.836 0.932 -6.636 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.540 2.153 -6.290 1.00 0.00 C ATOM 1358 C ASN A 84 -4.837 2.737 -5.088 1.00 0.00 C ATOM 1359 O ASN A 84 -4.510 3.923 -5.045 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.010 1.868 -5.971 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.912 3.038 -6.308 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.133 3.350 -7.478 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.440 3.695 -5.280 1.00 0.00 N ATOM 0 H ASN A 84 -4.477 0.425 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.530 2.852 -7.126 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.336 0.989 -6.528 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.109 1.629 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.055 4.492 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.230 3.402 -4.326 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.547 1.857 -4.136 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.811 2.233 -2.954 1.00 0.00 C ATOM 1372 C LEU A 85 -2.390 2.594 -3.369 1.00 0.00 C ATOM 1373 O LEU A 85 -1.689 3.312 -2.657 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.793 1.079 -1.945 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.339 1.458 -0.533 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.538 1.798 0.340 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.528 0.330 0.090 1.00 0.00 C ATOM 0 H LEU A 85 -4.816 0.874 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.289 3.088 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.795 0.653 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.136 0.296 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.703 2.340 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.196 2.065 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.078 2.639 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.200 0.934 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.214 0.618 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.140 -0.570 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.648 0.133 -0.523 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.971 2.095 -4.544 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.641 2.382 -5.051 1.00 0.00 C ATOM 1391 C ILE A 86 -0.520 3.859 -5.417 1.00 0.00 C ATOM 1392 O ILE A 86 0.422 4.538 -5.006 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.290 1.491 -6.276 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.767 0.456 -5.889 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.194 2.322 -7.460 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.258 -0.603 -4.939 1.00 0.00 C ATOM 0 H ILE A 86 -2.536 1.498 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 86 0.072 2.152 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.201 0.978 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.138 -0.027 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.613 0.967 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.429 1.663 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.588 3.021 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.087 2.877 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.062 -1.302 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.087 -0.131 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.569 -1.141 -5.403 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.488 4.348 -6.185 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.503 5.743 -6.603 1.00 0.00 C ATOM 1410 C ASN A 87 -1.843 6.651 -5.426 1.00 0.00 C ATOM 1411 O ASN A 87 -1.438 7.813 -5.387 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.517 5.947 -7.730 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.316 4.971 -8.872 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.598 5.255 -9.829 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.955 3.810 -8.777 1.00 0.00 N ATOM 0 H ASN A 87 -2.273 3.797 -6.531 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.510 6.003 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.526 5.834 -7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.436 6.966 -8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.860 3.113 -9.516 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.541 3.615 -7.965 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.588 6.111 -4.466 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.984 6.869 -3.286 1.00 0.00 C ATOM 1424 C LEU A 88 -1.827 6.983 -2.299 1.00 0.00 C ATOM 1425 O LEU A 88 -1.733 7.956 -1.551 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.188 6.209 -2.611 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.300 7.170 -2.186 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.658 6.495 -2.294 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.060 7.666 -0.767 1.00 0.00 C ATOM 0 H LEU A 88 -2.929 5.150 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.263 7.873 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.608 5.471 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.840 5.668 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.290 8.029 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.437 7.193 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.831 6.188 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.681 5.619 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.860 8.349 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.044 6.818 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.104 8.187 -0.721 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.948 5.986 -2.300 1.00 0.00 N ATOM 1442 CA LEU A 89 0.198 5.986 -1.402 1.00 0.00 C ATOM 1443 C LEU A 89 1.297 6.903 -1.926 1.00 0.00 C ATOM 1444 O LEU A 89 2.062 7.478 -1.151 1.00 0.00 O ATOM 1445 CB LEU A 89 0.737 4.565 -1.227 1.00 0.00 C ATOM 1446 CG LEU A 89 0.383 3.906 0.107 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.491 2.393 -0.001 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.286 4.431 1.212 1.00 0.00 C ATOM 0 H LEU A 89 -1.008 5.171 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.130 6.361 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.354 3.944 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.822 4.588 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.648 4.158 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.236 1.941 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.196 2.033 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.511 2.119 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.022 3.953 2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.325 4.207 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.159 5.510 1.304 1.00 0.00 H new ATOM 1460 N ALA A 90 1.372 7.035 -3.246 1.00 0.00 N ATOM 1461 CA ALA A 90 2.379 7.881 -3.873 1.00 0.00 C ATOM 1462 C ALA A 90 1.845 9.287 -4.148 1.00 0.00 C ATOM 1463 O ALA A 90 2.542 10.115 -4.736 1.00 0.00 O ATOM 1464 CB ALA A 90 2.871 7.243 -5.162 1.00 0.00 C ATOM 0 H ALA A 90 0.747 6.567 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 90 3.213 7.975 -3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.623 7.884 -5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.310 6.270 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.034 7.117 -5.848 1.00 0.00 H new ATOM 1470 N GLU A 91 0.612 9.558 -3.725 1.00 0.00 N ATOM 1471 CA GLU A 91 0.010 10.871 -3.939 1.00 0.00 C ATOM 1472 C GLU A 91 -0.239 11.585 -2.612 1.00 0.00 C ATOM 1473 O GLU A 91 -0.096 12.803 -2.515 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.301 10.738 -4.721 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.445 10.154 -3.909 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.261 11.219 -3.200 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.030 11.928 -3.882 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.128 11.344 -1.965 1.00 0.00 O ATOM 0 H GLU A 91 0.015 8.891 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 91 0.710 11.470 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.594 11.721 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.130 10.109 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.097 9.580 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.044 9.458 -3.172 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.614 10.818 -1.593 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.884 11.380 -0.274 1.00 0.00 C ATOM 1487 C ASN A 92 0.413 11.617 0.492 1.00 0.00 C ATOM 1488 O ASN A 92 0.505 12.534 1.308 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.797 10.447 0.523 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.177 11.025 1.872 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.990 10.386 2.909 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.714 12.239 1.867 1.00 0.00 N ATOM 0 H ASN A 92 -0.738 9.807 -1.655 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.385 12.339 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.701 10.249 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.296 9.490 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.990 12.678 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.851 12.732 0.985 1.00 0.00 H new ATOM 1499 N GLY A 93 1.412 10.783 0.227 1.00 0.00 N ATOM 1500 CA GLY A 93 2.689 10.918 0.902 1.00 0.00 C ATOM 1501 C GLY A 93 2.849 9.937 2.048 1.00 0.00 C ATOM 1502 O GLY A 93 3.630 10.170 2.969 1.00 0.00 O ATOM 0 H GLY A 93 1.360 10.016 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.494 10.766 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.789 11.935 1.282 1.00 0.00 H new ATOM 1506 N ARG A 94 2.106 8.836 1.989 1.00 0.00 N ATOM 1507 CA ARG A 94 2.169 7.815 3.030 1.00 0.00 C ATOM 1508 C ARG A 94 3.431 6.969 2.893 1.00 0.00 C ATOM 1509 O ARG A 94 3.856 6.318 3.848 1.00 0.00 O ATOM 1510 CB ARG A 94 0.930 6.919 2.969 1.00 0.00 C ATOM 1511 CG ARG A 94 -0.284 7.512 3.665 1.00 0.00 C ATOM 1512 CD ARG A 94 -0.178 7.385 5.176 1.00 0.00 C ATOM 1513 NE ARG A 94 0.555 8.500 5.770 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.047 9.721 5.925 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.193 9.987 5.534 1.00 0.00 N ATOM 1516 NH2 ARG A 94 0.781 10.678 6.474 1.00 0.00 N ATOM 0 H ARG A 94 1.454 8.628 1.233 1.00 0.00 H new ATOM 0 HA ARG A 94 2.198 8.320 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.682 6.726 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.165 5.957 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.383 8.563 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.186 7.007 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.178 7.339 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.321 6.449 5.427 1.00 0.00 H new ATOM 0 HE ARG A 94 1.511 8.334 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.763 9.254 5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.576 10.924 5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.734 10.479 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.393 11.614 6.593 1.00 0.00 H new ATOM 1530 N LEU A 95 4.031 6.981 1.704 1.00 0.00 N ATOM 1531 CA LEU A 95 5.248 6.213 1.455 1.00 0.00 C ATOM 1532 C LEU A 95 6.289 6.489 2.535 1.00 0.00 C ATOM 1533 O LEU A 95 6.185 7.470 3.270 1.00 0.00 O ATOM 1534 CB LEU A 95 5.818 6.547 0.075 1.00 0.00 C ATOM 1535 CG LEU A 95 5.015 5.998 -1.108 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.731 6.287 -2.417 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.778 4.504 -0.945 1.00 0.00 C ATOM 0 H LEU A 95 3.695 7.512 0.901 1.00 0.00 H new ATOM 0 HA LEU A 95 4.994 5.153 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.884 7.631 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.835 6.160 0.015 1.00 0.00 H new ATOM 0 HG LEU A 95 4.047 6.498 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.146 5.890 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.848 7.364 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.713 5.815 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.206 4.132 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.736 3.987 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.222 4.322 -0.025 1.00 0.00 H new ATOM 1549 N THR A 96 7.279 5.603 2.637 1.00 0.00 N ATOM 1550 CA THR A 96 8.337 5.727 3.642 1.00 0.00 C ATOM 1551 C THR A 96 7.863 5.140 4.966 1.00 0.00 C ATOM 1552 O THR A 96 8.525 4.282 5.551 1.00 0.00 O ATOM 1553 CB THR A 96 8.763 7.187 3.831 1.00 0.00 C ATOM 1554 OG1 THR A 96 8.603 7.917 2.627 1.00 0.00 O ATOM 1555 CG2 THR A 96 10.203 7.339 4.270 1.00 0.00 C ATOM 0 H THR A 96 7.371 4.787 2.033 1.00 0.00 H new ATOM 0 HA THR A 96 9.206 5.172 3.290 1.00 0.00 H new ATOM 0 HB THR A 96 8.117 7.575 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.702 8.302 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.439 8.397 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.349 6.829 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.860 6.900 3.519 1.00 0.00 H new ATOM 1563 N ASN A 97 6.696 5.589 5.415 1.00 0.00 N ATOM 1564 CA ASN A 97 6.107 5.092 6.650 1.00 0.00 C ATOM 1565 C ASN A 97 5.093 3.991 6.341 1.00 0.00 C ATOM 1566 O ASN A 97 4.223 3.686 7.156 1.00 0.00 O ATOM 1567 CB ASN A 97 5.424 6.233 7.408 1.00 0.00 C ATOM 1568 CG ASN A 97 4.293 6.859 6.616 1.00 0.00 C ATOM 1569 OD1 ASN A 97 3.154 6.393 6.664 1.00 0.00 O ATOM 1570 ND2 ASN A 97 4.602 7.921 5.881 1.00 0.00 N ATOM 0 H ASN A 97 6.139 6.299 4.939 1.00 0.00 H new ATOM 0 HA ASN A 97 6.900 4.680 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.036 5.856 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.162 6.998 7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.882 8.384 5.326 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.559 8.273 5.871 1.00 0.00 H new ATOM 1577 N THR A 98 5.210 3.407 5.147 1.00 0.00 N ATOM 1578 CA THR A 98 4.309 2.348 4.704 1.00 0.00 C ATOM 1579 C THR A 98 4.077 1.306 5.799 1.00 0.00 C ATOM 1580 O THR A 98 2.936 0.987 6.128 1.00 0.00 O ATOM 1581 CB THR A 98 4.868 1.670 3.450 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.978 2.387 2.940 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.852 1.547 2.335 1.00 0.00 C ATOM 0 H THR A 98 5.928 3.654 4.466 1.00 0.00 H new ATOM 0 HA THR A 98 3.349 2.809 4.472 1.00 0.00 H new ATOM 0 HB THR A 98 5.159 0.670 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.679 3.257 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.312 1.058 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.004 0.954 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.507 2.540 2.046 1.00 0.00 H new ATOM 1591 N PRO A 99 5.161 0.755 6.373 1.00 0.00 N ATOM 1592 CA PRO A 99 5.073 -0.260 7.426 1.00 0.00 C ATOM 1593 C PRO A 99 4.011 0.059 8.474 1.00 0.00 C ATOM 1594 O PRO A 99 3.364 -0.843 9.008 1.00 0.00 O ATOM 1595 CB PRO A 99 6.467 -0.228 8.046 1.00 0.00 C ATOM 1596 CG PRO A 99 7.365 0.158 6.921 1.00 0.00 C ATOM 1597 CD PRO A 99 6.563 1.077 6.035 1.00 0.00 C ATOM 0 HA PRO A 99 4.780 -1.233 7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.522 0.491 8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.741 -1.199 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.260 0.658 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.697 -0.721 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.792 2.124 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.772 0.899 4.980 1.00 0.00 H new ATOM 1605 N ALA A 100 3.832 1.342 8.764 1.00 0.00 N ATOM 1606 CA ALA A 100 2.843 1.768 9.749 1.00 0.00 C ATOM 1607 C ALA A 100 1.430 1.660 9.187 1.00 0.00 C ATOM 1608 O ALA A 100 0.478 1.403 9.923 1.00 0.00 O ATOM 1609 CB ALA A 100 3.128 3.192 10.201 1.00 0.00 C ATOM 0 H ALA A 100 4.356 2.104 8.333 1.00 0.00 H new ATOM 0 HA ALA A 100 2.914 1.105 10.611 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.383 3.497 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.120 3.240 10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.086 3.862 9.342 1.00 0.00 H new ATOM 1615 N VAL A 101 1.303 1.853 7.880 1.00 0.00 N ATOM 1616 CA VAL A 101 0.008 1.773 7.218 1.00 0.00 C ATOM 1617 C VAL A 101 -0.399 0.322 6.981 1.00 0.00 C ATOM 1618 O VAL A 101 -1.588 0.004 6.921 1.00 0.00 O ATOM 1619 CB VAL A 101 0.019 2.518 5.869 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.385 2.593 5.289 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.613 3.908 6.031 1.00 0.00 C ATOM 0 H VAL A 101 2.082 2.066 7.257 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.716 2.248 7.881 1.00 0.00 H new ATOM 0 HB VAL A 101 0.645 1.961 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.357 3.122 4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.768 1.585 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.037 3.126 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.612 4.418 5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.017 4.478 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.636 3.826 6.397 1.00 0.00 H new ATOM 1631 N ILE A 102 0.591 -0.556 6.848 1.00 0.00 N ATOM 1632 CA ILE A 102 0.327 -1.971 6.618 1.00 0.00 C ATOM 1633 C ILE A 102 -0.017 -2.686 7.921 1.00 0.00 C ATOM 1634 O ILE A 102 -0.776 -3.655 7.926 1.00 0.00 O ATOM 1635 CB ILE A 102 1.535 -2.680 5.969 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.153 -1.812 4.866 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.118 -4.033 5.412 1.00 0.00 C ATOM 1638 CD1 ILE A 102 1.137 -1.194 3.928 1.00 0.00 C ATOM 0 H ILE A 102 1.580 -0.313 6.896 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.523 -2.020 5.937 1.00 0.00 H new ATOM 0 HB ILE A 102 2.291 -2.837 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.737 -1.016 5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.846 -2.420 4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.980 -4.521 4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.732 -4.656 6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.342 -3.893 4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.652 -0.595 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.569 -1.983 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.458 -0.558 4.495 1.00 0.00 H new ATOM 1650 N SER A 103 0.548 -2.204 9.024 1.00 0.00 N ATOM 1651 CA SER A 103 0.302 -2.803 10.332 1.00 0.00 C ATOM 1652 C SER A 103 -1.180 -2.756 10.688 1.00 0.00 C ATOM 1653 O SER A 103 -1.763 -3.763 11.091 1.00 0.00 O ATOM 1654 CB SER A 103 1.119 -2.082 11.406 1.00 0.00 C ATOM 1655 OG SER A 103 1.542 -2.982 12.416 1.00 0.00 O ATOM 0 H SER A 103 1.178 -1.402 9.038 1.00 0.00 H new ATOM 0 HA SER A 103 0.610 -3.848 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.988 -1.609 10.949 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.520 -1.287 11.851 1.00 0.00 H new ATOM 0 HG SER A 103 2.063 -2.497 13.089 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.784 -1.581 10.542 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.198 -1.404 10.853 1.00 0.00 C ATOM 1663 C ALA A 104 -4.067 -2.362 10.044 1.00 0.00 C ATOM 1664 O ALA A 104 -5.141 -2.766 10.490 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.616 0.035 10.595 1.00 0.00 C ATOM 0 H ALA A 104 -1.316 -0.737 10.210 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.342 -1.632 11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.673 0.155 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.026 0.703 11.223 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.448 0.280 9.546 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.599 -2.720 8.854 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.337 -3.629 7.984 1.00 0.00 C ATOM 1673 C PHE A 105 -4.445 -5.016 8.605 1.00 0.00 C ATOM 1674 O PHE A 105 -5.485 -5.665 8.515 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.658 -3.727 6.617 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.542 -4.295 5.540 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.024 -5.593 5.626 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.890 -3.528 4.440 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.833 -6.113 4.635 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.699 -4.045 3.448 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.170 -5.337 3.546 1.00 0.00 C ATOM 0 H PHE A 105 -2.712 -2.395 8.469 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.342 -3.227 7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.325 -2.734 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.767 -4.348 6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.764 -6.204 6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.525 -2.515 4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.201 -7.125 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.963 -3.437 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.803 -5.741 2.770 1.00 0.00 H new ATOM 1691 N SER A 106 -3.363 -5.472 9.225 1.00 0.00 N ATOM 1692 CA SER A 106 -3.341 -6.788 9.849 1.00 0.00 C ATOM 1693 C SER A 106 -4.407 -6.904 10.933 1.00 0.00 C ATOM 1694 O SER A 106 -5.133 -7.895 10.999 1.00 0.00 O ATOM 1695 CB SER A 106 -1.960 -7.074 10.443 1.00 0.00 C ATOM 1696 OG SER A 106 -2.005 -8.176 11.332 1.00 0.00 O ATOM 0 H SER A 106 -2.491 -4.950 9.309 1.00 0.00 H new ATOM 0 HA SER A 106 -3.558 -7.526 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.251 -7.279 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.598 -6.192 10.971 1.00 0.00 H new ATOM 0 HG SER A 106 -1.110 -8.339 11.697 1.00 0.00 H new ATOM 1702 N THR A 107 -4.497 -5.887 11.782 1.00 0.00 N ATOM 1703 CA THR A 107 -5.476 -5.884 12.861 1.00 0.00 C ATOM 1704 C THR A 107 -6.889 -5.752 12.315 1.00 0.00 C ATOM 1705 O THR A 107 -7.793 -6.475 12.735 1.00 0.00 O ATOM 1706 CB THR A 107 -5.184 -4.752 13.848 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.868 -4.863 14.362 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.135 -4.722 15.025 1.00 0.00 C ATOM 0 H THR A 107 -3.906 -5.057 11.744 1.00 0.00 H new ATOM 0 HA THR A 107 -5.399 -6.836 13.386 1.00 0.00 H new ATOM 0 HB THR A 107 -5.310 -3.832 13.277 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.699 -4.130 14.990 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.871 -3.896 15.685 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.155 -4.588 14.665 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.065 -5.661 15.574 1.00 0.00 H new ATOM 1716 N MET A 108 -7.079 -4.843 11.366 1.00 0.00 N ATOM 1717 CA MET A 108 -8.387 -4.654 10.768 1.00 0.00 C ATOM 1718 C MET A 108 -8.731 -5.849 9.890 1.00 0.00 C ATOM 1719 O MET A 108 -9.902 -6.148 9.657 1.00 0.00 O ATOM 1720 CB MET A 108 -8.420 -3.367 9.951 1.00 0.00 C ATOM 1721 CG MET A 108 -8.096 -2.125 10.764 1.00 0.00 C ATOM 1722 SD MET A 108 -9.375 -1.732 11.972 1.00 0.00 S ATOM 1723 CE MET A 108 -9.047 0.005 12.260 1.00 0.00 C ATOM 0 H MET A 108 -6.349 -4.232 10.999 1.00 0.00 H new ATOM 0 HA MET A 108 -9.129 -4.573 11.562 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.709 -3.449 9.129 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.409 -3.253 9.507 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.147 -2.271 11.280 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.966 -1.278 10.090 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.759 0.394 12.988 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.034 0.125 12.644 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.148 0.554 11.324 1.00 0.00 H new ATOM 1733 N MET A 109 -7.695 -6.537 9.416 1.00 0.00 N ATOM 1734 CA MET A 109 -7.879 -7.708 8.575 1.00 0.00 C ATOM 1735 C MET A 109 -8.420 -8.877 9.395 1.00 0.00 C ATOM 1736 O MET A 109 -8.907 -9.857 8.838 1.00 0.00 O ATOM 1737 CB MET A 109 -6.554 -8.096 7.909 1.00 0.00 C ATOM 1738 CG MET A 109 -6.565 -9.473 7.260 1.00 0.00 C ATOM 1739 SD MET A 109 -6.012 -10.772 8.382 1.00 0.00 S ATOM 1740 CE MET A 109 -5.242 -11.908 7.230 1.00 0.00 C ATOM 0 H MET A 109 -6.720 -6.300 9.602 1.00 0.00 H new ATOM 0 HA MET A 109 -8.605 -7.465 7.799 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.308 -7.351 7.152 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.761 -8.065 8.656 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.574 -9.700 6.916 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.923 -9.461 6.379 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.850 -12.767 7.774 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.981 -12.245 6.503 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.427 -11.403 6.712 1.00 0.00 H new ATOM 1750 N SER A 110 -8.334 -8.774 10.721 1.00 0.00 N ATOM 1751 CA SER A 110 -8.829 -9.833 11.595 1.00 0.00 C ATOM 1752 C SER A 110 -10.214 -9.489 12.130 1.00 0.00 C ATOM 1753 O SER A 110 -10.972 -10.373 12.528 1.00 0.00 O ATOM 1754 CB SER A 110 -7.858 -10.068 12.754 1.00 0.00 C ATOM 1755 OG SER A 110 -8.079 -9.139 13.802 1.00 0.00 O ATOM 0 H SER A 110 -7.930 -7.975 11.209 1.00 0.00 H new ATOM 0 HA SER A 110 -8.904 -10.749 11.009 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.978 -11.083 13.133 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.832 -9.980 12.396 1.00 0.00 H new ATOM 0 HG SER A 110 -7.984 -8.227 13.456 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.543 -8.201 12.129 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.841 -7.747 12.605 1.00 0.00 C ATOM 1763 C VAL A 111 -12.921 -7.956 11.547 1.00 0.00 C ATOM 1764 O VAL A 111 -14.113 -7.874 11.843 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.806 -6.258 13.000 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.107 -5.854 13.677 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -10.615 -5.972 13.901 1.00 0.00 C ATOM 0 H VAL A 111 -9.928 -7.455 11.804 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.080 -8.343 13.486 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.696 -5.663 12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -13.064 -4.799 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -13.939 -6.018 12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -13.251 -6.454 14.575 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.607 -4.916 14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.690 -6.576 14.806 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.693 -6.220 13.375 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.502 -8.228 10.311 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.435 -8.447 9.223 1.00 0.00 C ATOM 1779 C HIS A 112 -14.011 -9.860 9.275 1.00 0.00 C ATOM 1780 O HIS A 112 -15.115 -10.109 8.792 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.734 -8.207 7.886 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.003 -9.402 7.359 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.231 -10.229 8.145 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.943 -9.908 6.116 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -10.729 -11.197 7.399 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -11.147 -11.024 6.161 1.00 0.00 N ATOM 0 H HIS A 112 -11.520 -8.300 10.045 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.261 -7.743 9.326 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.475 -7.893 7.150 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.029 -7.384 8.000 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.433 -9.509 5.240 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.086 -11.993 7.744 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -10.916 -11.622 5.367 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.251 -10.785 9.860 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.689 -12.169 9.964 1.00 0.00 C ATOM 1797 C ARG A 113 -14.853 -12.299 10.940 1.00 0.00 C ATOM 1798 O ARG A 113 -15.764 -13.102 10.733 1.00 0.00 O ATOM 1799 CB ARG A 113 -12.529 -13.061 10.412 1.00 0.00 C ATOM 1800 CG ARG A 113 -12.693 -14.518 10.015 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.047 -14.804 8.668 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.631 -15.976 8.019 1.00 0.00 N ATOM 1803 CZ ARG A 113 -12.042 -16.646 7.032 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.855 -16.265 6.577 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -12.642 -17.702 6.497 1.00 0.00 N ATOM 0 H ARG A 113 -12.334 -10.599 10.266 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.027 -12.492 8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.602 -12.679 9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.430 -12.997 11.496 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.246 -15.156 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.753 -14.767 9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.161 -13.936 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.977 -14.961 8.805 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.543 -16.299 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.389 -15.454 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.409 -16.783 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.554 -18.000 6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.191 -18.216 5.740 1.00 0.00 H new