USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 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 96 THR OG1 : rot 90:sc= 1.12 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 1.1 F(o=0.39,f=2.2) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -146:sc= -0.239 (180deg=-1.14!) USER MOD Set 2.2: A 68 SER OG : rot -45:sc= 0.536 USER MOD Set 3.1: A 23 TYR OH : rot 52:sc= -0.665! USER MOD Set 3.2: A 112 HIS : no HD1:sc= -15.6! C(o=-16!,f=-18!) USER MOD Set 4.1: A 18 TYR OH : rot 30:sc= -0.0894 USER MOD Set 4.2: A 92 ASN : amide:sc= -0.0897 K(o=-0.18,f=-0.73) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.66 USER MOD Single : A 20 THR OG1 : rot 69:sc= -0.694 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00502 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0577 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -3.32! C(o=-3.3!,f=-12!) USER MOD Single : A 30 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.486 (180deg=-0.672) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.6 F(o=-2.1,f=-1.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.136 X(o=-0.14,f=0) 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 -131:sc= -0.442 (180deg=-3.52!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.07 K(o=-2.1,f=-4.6!) 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 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.206) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -139:sc= -4.24! (180deg=-6.89!) USER MOD Single : A 73 THR OG1 : rot 57:sc= -6.4! 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 63:sc= 1.17 USER MOD Single : A 82 THR OG1 : rot -90:sc= -1.29 USER MOD Single : A 83 SER OG : rot -59:sc= 1.07 USER MOD Single : A 84 ASN :FLIP amide:sc=-0.00624 F(o=-0.54,f=-0.0062) USER MOD Single : A 87 ASN : amide:sc= -2.11 K(o=-2.1,f=-6.9!) USER MOD Single : A 98 THR OG1 : rot -92:sc= -2.1 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -18:sc= 0.0921 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -77:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.387 4.274 14.305 1.00 0.00 N ATOM 194 CA TYR A 12 -1.783 5.613 14.721 1.00 0.00 C ATOM 195 C TYR A 12 -3.283 5.821 14.538 1.00 0.00 C ATOM 196 O TYR A 12 -4.027 5.939 15.512 1.00 0.00 O ATOM 197 CB TYR A 12 -1.002 6.657 13.906 1.00 0.00 C ATOM 198 CG TYR A 12 0.287 6.116 13.311 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.271 5.026 12.449 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.517 6.674 13.636 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.435 4.506 11.928 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.691 6.163 13.113 1.00 0.00 C ATOM 203 CZ TYR A 12 2.645 5.079 12.261 1.00 0.00 C ATOM 204 OH TYR A 12 3.812 4.566 11.743 1.00 0.00 O ATOM 0 HA TYR A 12 -1.553 5.730 15.780 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.637 7.029 13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.769 7.507 14.547 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.674 4.577 12.182 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.557 7.519 14.307 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.401 3.655 11.263 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.640 6.611 13.370 1.00 0.00 H new ATOM 0 HH TYR A 12 4.574 5.085 12.076 1.00 0.00 H new ATOM 214 N GLY A 13 -3.720 5.863 13.283 1.00 0.00 N ATOM 215 CA GLY A 13 -5.129 6.055 12.997 1.00 0.00 C ATOM 216 C GLY A 13 -5.372 6.554 11.586 1.00 0.00 C ATOM 217 O GLY A 13 -5.954 5.847 10.763 1.00 0.00 O ATOM 0 H GLY A 13 -3.124 5.768 12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.658 5.113 13.142 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.547 6.768 13.708 1.00 0.00 H new ATOM 221 N ILE A 14 -4.926 7.775 11.305 1.00 0.00 N ATOM 222 CA ILE A 14 -5.101 8.362 9.983 1.00 0.00 C ATOM 223 C ILE A 14 -4.431 7.510 8.912 1.00 0.00 C ATOM 224 O ILE A 14 -5.018 7.234 7.867 1.00 0.00 O ATOM 225 CB ILE A 14 -4.534 9.796 9.923 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.785 10.417 8.545 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.048 9.795 10.247 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.239 10.388 8.123 1.00 0.00 C ATOM 0 H ILE A 14 -4.442 8.375 11.974 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.173 8.400 9.791 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.048 10.401 10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.438 11.450 8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.189 9.886 7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.665 10.814 10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.894 9.395 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.518 9.175 9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.341 10.844 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.586 9.355 8.082 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.838 10.944 8.844 1.00 0.00 H new ATOM 240 N GLU A 15 -3.199 7.088 9.181 1.00 0.00 N ATOM 241 CA GLU A 15 -2.459 6.260 8.237 1.00 0.00 C ATOM 242 C GLU A 15 -3.043 4.855 8.191 1.00 0.00 C ATOM 243 O GLU A 15 -3.054 4.211 7.143 1.00 0.00 O ATOM 244 CB GLU A 15 -0.978 6.206 8.619 1.00 0.00 C ATOM 245 CG GLU A 15 -0.115 7.178 7.831 1.00 0.00 C ATOM 246 CD GLU A 15 0.857 7.941 8.709 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.706 7.294 9.357 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.770 9.187 8.749 1.00 0.00 O ATOM 0 H GLU A 15 -2.695 7.305 10.041 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.546 6.706 7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.877 6.422 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.607 5.193 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.442 6.630 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.758 7.886 7.307 1.00 0.00 H new ATOM 255 N GLY A 16 -3.543 4.389 9.331 1.00 0.00 N ATOM 256 CA GLY A 16 -4.138 3.071 9.390 1.00 0.00 C ATOM 257 C GLY A 16 -5.501 3.045 8.732 1.00 0.00 C ATOM 258 O GLY A 16 -5.903 2.033 8.158 1.00 0.00 O ATOM 0 H GLY A 16 -3.546 4.902 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.482 2.353 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.230 2.759 10.430 1.00 0.00 H new ATOM 262 N ARG A 17 -6.207 4.170 8.805 1.00 0.00 N ATOM 263 CA ARG A 17 -7.528 4.281 8.203 1.00 0.00 C ATOM 264 C ARG A 17 -7.426 4.234 6.684 1.00 0.00 C ATOM 265 O ARG A 17 -8.375 3.853 6.004 1.00 0.00 O ATOM 266 CB ARG A 17 -8.211 5.576 8.646 1.00 0.00 C ATOM 267 CG ARG A 17 -9.681 5.647 8.269 1.00 0.00 C ATOM 268 CD ARG A 17 -10.489 6.397 9.315 1.00 0.00 C ATOM 269 NE ARG A 17 -11.606 7.130 8.724 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.475 8.290 8.084 1.00 0.00 C ATOM 271 NH1 ARG A 17 -10.280 8.852 7.951 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.544 8.890 7.576 1.00 0.00 N ATOM 0 H ARG A 17 -5.885 5.016 9.275 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.130 3.437 8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.116 5.675 9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.689 6.423 8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.786 6.141 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.078 4.638 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.869 5.691 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.839 7.093 9.845 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.541 6.730 8.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.455 8.395 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.186 9.741 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.465 8.462 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.445 9.779 7.085 1.00 0.00 H new ATOM 286 N TYR A 18 -6.265 4.615 6.153 1.00 0.00 N ATOM 287 CA TYR A 18 -6.049 4.595 4.713 1.00 0.00 C ATOM 288 C TYR A 18 -6.304 3.200 4.167 1.00 0.00 C ATOM 289 O TYR A 18 -7.099 3.012 3.246 1.00 0.00 O ATOM 290 CB TYR A 18 -4.615 5.020 4.387 1.00 0.00 C ATOM 291 CG TYR A 18 -4.497 6.416 3.831 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.964 7.510 4.544 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.910 6.640 2.592 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.852 8.789 4.040 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.793 7.916 2.080 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.266 8.989 2.807 1.00 0.00 C ATOM 297 OH TYR A 18 -4.151 10.263 2.301 1.00 0.00 O ATOM 0 H TYR A 18 -5.466 4.939 6.697 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.743 5.295 4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.012 4.949 5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.194 4.317 3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.423 7.358 5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.539 5.802 2.020 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.221 9.630 4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.334 8.074 1.115 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.066 10.902 3.039 1.00 0.00 H new ATOM 307 N ALA A 19 -5.625 2.225 4.751 1.00 0.00 N ATOM 308 CA ALA A 19 -5.775 0.842 4.339 1.00 0.00 C ATOM 309 C ALA A 19 -7.170 0.339 4.664 1.00 0.00 C ATOM 310 O ALA A 19 -7.807 -0.319 3.845 1.00 0.00 O ATOM 311 CB ALA A 19 -4.721 -0.026 5.012 1.00 0.00 C ATOM 0 H ALA A 19 -4.963 2.369 5.514 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.634 0.783 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.845 -1.061 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.728 0.324 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.834 0.037 6.094 1.00 0.00 H new ATOM 317 N THR A 20 -7.648 0.659 5.860 1.00 0.00 N ATOM 318 CA THR A 20 -8.976 0.234 6.274 1.00 0.00 C ATOM 319 C THR A 20 -10.053 0.953 5.474 1.00 0.00 C ATOM 320 O THR A 20 -11.176 0.464 5.358 1.00 0.00 O ATOM 321 CB THR A 20 -9.183 0.456 7.771 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.946 0.683 8.423 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.845 -0.724 8.443 1.00 0.00 C ATOM 0 H THR A 20 -7.140 1.207 6.554 1.00 0.00 H new ATOM 0 HA THR A 20 -9.058 -0.834 6.075 1.00 0.00 H new ATOM 0 HB THR A 20 -9.832 1.328 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.587 1.553 8.150 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.969 -0.515 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.821 -0.899 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.223 -1.610 8.318 1.00 0.00 H new ATOM 331 N ALA A 21 -9.709 2.105 4.905 1.00 0.00 N ATOM 332 CA ALA A 21 -10.663 2.854 4.105 1.00 0.00 C ATOM 333 C ALA A 21 -10.543 2.484 2.633 1.00 0.00 C ATOM 334 O ALA A 21 -11.244 3.033 1.783 1.00 0.00 O ATOM 335 CB ALA A 21 -10.477 4.351 4.304 1.00 0.00 C ATOM 0 H ALA A 21 -8.787 2.533 4.984 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.667 2.590 4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.202 4.892 3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.628 4.600 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.468 4.635 4.005 1.00 0.00 H new ATOM 341 N LEU A 22 -9.672 1.523 2.343 1.00 0.00 N ATOM 342 CA LEU A 22 -9.487 1.048 0.981 1.00 0.00 C ATOM 343 C LEU A 22 -9.814 -0.423 0.944 1.00 0.00 C ATOM 344 O LEU A 22 -10.476 -0.910 0.028 1.00 0.00 O ATOM 345 CB LEU A 22 -8.058 1.293 0.496 1.00 0.00 C ATOM 346 CG LEU A 22 -7.771 0.794 -0.921 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.957 1.819 -1.696 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.050 -0.546 -0.877 1.00 0.00 C ATOM 0 H LEU A 22 -9.084 1.059 3.035 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.150 1.597 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.852 2.363 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.367 0.808 1.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.721 0.655 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.763 1.445 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.513 2.754 -1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.010 1.993 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.853 -0.887 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.106 -0.434 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.673 -1.278 -0.363 1.00 0.00 H new ATOM 360 N TYR A 23 -9.381 -1.116 1.982 1.00 0.00 N ATOM 361 CA TYR A 23 -9.661 -2.518 2.114 1.00 0.00 C ATOM 362 C TYR A 23 -11.116 -2.692 2.549 1.00 0.00 C ATOM 363 O TYR A 23 -11.697 -3.759 2.366 1.00 0.00 O ATOM 364 CB TYR A 23 -8.685 -3.158 3.108 1.00 0.00 C ATOM 365 CG TYR A 23 -9.343 -3.786 4.311 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.100 -4.932 4.173 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.220 -3.225 5.572 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.717 -5.516 5.256 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.833 -3.793 6.661 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.581 -4.943 6.504 1.00 0.00 C ATOM 371 OH TYR A 23 -11.193 -5.514 7.595 1.00 0.00 O ATOM 0 H TYR A 23 -8.832 -0.720 2.745 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.524 -3.024 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.104 -3.920 2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.982 -2.398 3.449 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.210 -5.379 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.633 -2.327 5.700 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.302 -6.415 5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.731 -3.342 7.637 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.953 -6.463 7.645 1.00 0.00 H new ATOM 381 N SER A 24 -11.715 -1.626 3.106 1.00 0.00 N ATOM 382 CA SER A 24 -13.111 -1.683 3.527 1.00 0.00 C ATOM 383 C SER A 24 -13.950 -2.255 2.395 1.00 0.00 C ATOM 384 O SER A 24 -14.862 -3.053 2.616 1.00 0.00 O ATOM 385 CB SER A 24 -13.615 -0.293 3.916 1.00 0.00 C ATOM 386 OG SER A 24 -13.100 0.699 3.046 1.00 0.00 O ATOM 0 H SER A 24 -11.256 -0.730 3.270 1.00 0.00 H new ATOM 0 HA SER A 24 -13.196 -2.327 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.704 -0.277 3.887 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.320 -0.070 4.941 1.00 0.00 H new ATOM 0 HG SER A 24 -13.439 1.578 3.316 1.00 0.00 H new ATOM 392 N ALA A 25 -13.594 -1.872 1.173 1.00 0.00 N ATOM 393 CA ALA A 25 -14.266 -2.375 -0.012 1.00 0.00 C ATOM 394 C ALA A 25 -13.757 -3.774 -0.302 1.00 0.00 C ATOM 395 O ALA A 25 -14.512 -4.658 -0.707 1.00 0.00 O ATOM 396 CB ALA A 25 -14.026 -1.453 -1.199 1.00 0.00 C ATOM 0 H ALA A 25 -12.840 -1.212 0.981 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.341 -2.408 0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.538 -1.848 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.411 -0.459 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.957 -1.390 -1.401 1.00 0.00 H new ATOM 402 N ALA A 26 -12.464 -3.968 -0.062 1.00 0.00 N ATOM 403 CA ALA A 26 -11.834 -5.264 -0.264 1.00 0.00 C ATOM 404 C ALA A 26 -12.465 -6.312 0.647 1.00 0.00 C ATOM 405 O ALA A 26 -12.529 -7.489 0.301 1.00 0.00 O ATOM 406 CB ALA A 26 -10.340 -5.173 0.000 1.00 0.00 C ATOM 0 H ALA A 26 -11.832 -3.241 0.273 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.989 -5.564 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.883 -6.150 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.893 -4.451 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.171 -4.853 1.028 1.00 0.00 H new ATOM 412 N SER A 27 -12.932 -5.871 1.813 1.00 0.00 N ATOM 413 CA SER A 27 -13.563 -6.765 2.775 1.00 0.00 C ATOM 414 C SER A 27 -14.799 -7.416 2.164 1.00 0.00 C ATOM 415 O SER A 27 -14.951 -8.637 2.193 1.00 0.00 O ATOM 416 CB SER A 27 -13.957 -5.994 4.038 1.00 0.00 C ATOM 417 OG SER A 27 -14.913 -6.713 4.800 1.00 0.00 O ATOM 0 H SER A 27 -12.884 -4.897 2.113 1.00 0.00 H new ATOM 0 HA SER A 27 -12.847 -7.543 3.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.071 -5.807 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.365 -5.022 3.761 1.00 0.00 H new ATOM 0 HG SER A 27 -15.146 -6.199 5.601 1.00 0.00 H new ATOM 423 N LYS A 28 -15.680 -6.587 1.604 1.00 0.00 N ATOM 424 CA LYS A 28 -16.902 -7.078 0.977 1.00 0.00 C ATOM 425 C LYS A 28 -16.578 -8.173 -0.033 1.00 0.00 C ATOM 426 O LYS A 28 -17.302 -9.161 -0.148 1.00 0.00 O ATOM 427 CB LYS A 28 -17.644 -5.932 0.287 1.00 0.00 C ATOM 428 CG LYS A 28 -18.640 -5.222 1.190 1.00 0.00 C ATOM 429 CD LYS A 28 -19.855 -4.744 0.412 1.00 0.00 C ATOM 430 CE LYS A 28 -21.132 -4.904 1.220 1.00 0.00 C ATOM 431 NZ LYS A 28 -22.283 -5.312 0.367 1.00 0.00 N ATOM 0 H LYS A 28 -15.568 -5.574 1.573 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.544 -7.495 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.917 -5.207 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.170 -6.323 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.958 -5.897 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.156 -4.371 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.725 -3.697 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.938 -5.308 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.977 -5.649 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.366 -3.964 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -23.134 -5.410 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -22.448 -4.589 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -22.071 -6.222 -0.090 1.00 0.00 H new ATOM 445 N GLN A 29 -15.477 -7.990 -0.751 1.00 0.00 N ATOM 446 CA GLN A 29 -15.041 -8.964 -1.741 1.00 0.00 C ATOM 447 C GLN A 29 -14.312 -10.115 -1.058 1.00 0.00 C ATOM 448 O GLN A 29 -14.449 -11.271 -1.457 1.00 0.00 O ATOM 449 CB GLN A 29 -14.129 -8.303 -2.776 1.00 0.00 C ATOM 450 CG GLN A 29 -14.784 -7.148 -3.514 1.00 0.00 C ATOM 451 CD GLN A 29 -13.826 -6.000 -3.765 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.657 -6.056 -3.383 1.00 0.00 O ATOM 453 NE2 GLN A 29 -14.319 -4.948 -4.410 1.00 0.00 N ATOM 0 H GLN A 29 -14.870 -7.175 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.920 -9.356 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.230 -7.941 -2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.812 -9.053 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.175 -7.505 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.634 -6.787 -2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.294 -4.944 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.722 -4.145 -4.606 1.00 0.00 H new ATOM 462 N ASN A 30 -13.527 -9.778 -0.030 1.00 0.00 N ATOM 463 CA ASN A 30 -12.752 -10.758 0.731 1.00 0.00 C ATOM 464 C ASN A 30 -11.388 -10.946 0.093 1.00 0.00 C ATOM 465 O ASN A 30 -10.814 -12.034 0.127 1.00 0.00 O ATOM 466 CB ASN A 30 -13.479 -12.105 0.836 1.00 0.00 C ATOM 467 CG ASN A 30 -14.947 -11.948 1.182 1.00 0.00 C ATOM 468 OD1 ASN A 30 -15.824 -12.273 0.380 1.00 0.00 O ATOM 469 ND2 ASN A 30 -15.223 -11.446 2.379 1.00 0.00 N ATOM 0 H ASN A 30 -13.412 -8.818 0.296 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.630 -10.373 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.387 -12.638 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.994 -12.718 1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.193 -11.316 2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.465 -11.190 3.012 1.00 0.00 H new ATOM 476 N LYS A 31 -10.877 -9.869 -0.488 1.00 0.00 N ATOM 477 CA LYS A 31 -9.580 -9.897 -1.138 1.00 0.00 C ATOM 478 C LYS A 31 -8.471 -9.517 -0.164 1.00 0.00 C ATOM 479 O LYS A 31 -7.345 -9.255 -0.578 1.00 0.00 O ATOM 480 CB LYS A 31 -9.567 -8.952 -2.341 1.00 0.00 C ATOM 481 CG LYS A 31 -9.913 -9.637 -3.654 1.00 0.00 C ATOM 482 CD LYS A 31 -11.390 -9.495 -3.984 1.00 0.00 C ATOM 483 CE LYS A 31 -11.621 -9.424 -5.484 1.00 0.00 C ATOM 484 NZ LYS A 31 -12.778 -8.553 -5.828 1.00 0.00 N ATOM 0 H LYS A 31 -11.345 -8.963 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.399 -10.915 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.275 -8.143 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.580 -8.498 -2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.316 -9.207 -4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.652 -10.694 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.939 -10.340 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.785 -8.596 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.723 -9.044 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.794 -10.428 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.780 -8.367 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.663 -9.030 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.700 -7.653 -5.312 1.00 0.00 H new ATOM 498 N LEU A 32 -8.784 -9.492 1.136 1.00 0.00 N ATOM 499 CA LEU A 32 -7.799 -9.152 2.152 1.00 0.00 C ATOM 500 C LEU A 32 -6.492 -9.900 1.918 1.00 0.00 C ATOM 501 O LEU A 32 -5.421 -9.420 2.277 1.00 0.00 O ATOM 502 CB LEU A 32 -8.371 -9.466 3.529 1.00 0.00 C ATOM 503 CG LEU A 32 -9.295 -8.386 4.091 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.482 -7.383 4.898 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.062 -7.688 2.975 1.00 0.00 C ATOM 0 H LEU A 32 -9.712 -9.704 1.503 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.576 -8.087 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.921 -10.405 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.546 -9.619 4.225 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.026 -8.858 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.144 -6.615 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.984 -7.896 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.734 -6.919 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.712 -6.924 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.358 -7.221 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.666 -8.418 2.437 1.00 0.00 H new ATOM 517 N GLU A 33 -6.583 -11.068 1.291 1.00 0.00 N ATOM 518 CA GLU A 33 -5.397 -11.859 0.989 1.00 0.00 C ATOM 519 C GLU A 33 -4.622 -11.216 -0.158 1.00 0.00 C ATOM 520 O GLU A 33 -3.394 -11.278 -0.208 1.00 0.00 O ATOM 521 CB GLU A 33 -5.787 -13.293 0.624 1.00 0.00 C ATOM 522 CG GLU A 33 -6.651 -13.974 1.672 1.00 0.00 C ATOM 523 CD GLU A 33 -7.214 -15.297 1.193 1.00 0.00 C ATOM 524 OE1 GLU A 33 -6.426 -16.250 1.017 1.00 0.00 O ATOM 525 OE2 GLU A 33 -8.445 -15.381 0.993 1.00 0.00 O ATOM 0 H GLU A 33 -7.461 -11.486 0.984 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.762 -11.890 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.322 -13.285 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.881 -13.880 0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.060 -14.140 2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.472 -13.312 1.947 1.00 0.00 H new ATOM 532 N GLN A 34 -5.359 -10.584 -1.067 1.00 0.00 N ATOM 533 CA GLN A 34 -4.764 -9.904 -2.212 1.00 0.00 C ATOM 534 C GLN A 34 -4.419 -8.458 -1.869 1.00 0.00 C ATOM 535 O GLN A 34 -3.674 -7.800 -2.595 1.00 0.00 O ATOM 536 CB GLN A 34 -5.721 -9.941 -3.407 1.00 0.00 C ATOM 537 CG GLN A 34 -5.554 -11.175 -4.281 1.00 0.00 C ATOM 538 CD GLN A 34 -5.120 -10.836 -5.695 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.159 -9.927 -5.819 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -5.643 -11.385 -6.665 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.377 -10.529 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.844 -10.426 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.747 -9.901 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.564 -9.051 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.817 -11.839 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.497 -11.721 -4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.378 -12.078 -6.524 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.341 -11.147 -7.610 1.00 0.00 H new ATOM 549 N VAL A 35 -4.964 -7.965 -0.758 1.00 0.00 N ATOM 550 CA VAL A 35 -4.706 -6.595 -0.327 1.00 0.00 C ATOM 551 C VAL A 35 -3.751 -6.561 0.860 1.00 0.00 C ATOM 552 O VAL A 35 -3.077 -5.559 1.099 1.00 0.00 O ATOM 553 CB VAL A 35 -6.005 -5.849 0.066 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.960 -4.412 -0.425 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.254 -6.561 -0.460 1.00 0.00 C ATOM 0 H VAL A 35 -5.584 -8.492 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.255 -6.091 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.067 -5.848 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.880 -3.901 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.108 -3.901 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.859 -4.401 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.143 -6.005 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.209 -6.618 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.300 -7.568 -0.045 1.00 0.00 H new ATOM 565 N GLU A 36 -3.688 -7.663 1.594 1.00 0.00 N ATOM 566 CA GLU A 36 -2.805 -7.762 2.749 1.00 0.00 C ATOM 567 C GLU A 36 -1.473 -8.348 2.321 1.00 0.00 C ATOM 568 O GLU A 36 -0.416 -7.951 2.812 1.00 0.00 O ATOM 569 CB GLU A 36 -3.433 -8.624 3.845 1.00 0.00 C ATOM 570 CG GLU A 36 -2.713 -8.529 5.181 1.00 0.00 C ATOM 571 CD GLU A 36 -3.281 -9.478 6.217 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.518 -9.647 6.253 1.00 0.00 O ATOM 573 OE2 GLU A 36 -2.489 -10.054 6.993 1.00 0.00 O ATOM 0 H GLU A 36 -4.238 -8.502 1.411 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.648 -6.763 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.473 -8.325 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.440 -9.664 3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.655 -8.746 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.780 -7.507 5.554 1.00 0.00 H new ATOM 580 N LYS A 37 -1.534 -9.283 1.382 1.00 0.00 N ATOM 581 CA LYS A 37 -0.334 -9.910 0.862 1.00 0.00 C ATOM 582 C LYS A 37 0.379 -8.942 -0.061 1.00 0.00 C ATOM 583 O LYS A 37 1.609 -8.902 -0.102 1.00 0.00 O ATOM 584 CB LYS A 37 -0.674 -11.204 0.120 1.00 0.00 C ATOM 585 CG LYS A 37 0.546 -12.037 -0.240 1.00 0.00 C ATOM 586 CD LYS A 37 0.161 -13.465 -0.590 1.00 0.00 C ATOM 587 CE LYS A 37 1.211 -14.457 -0.116 1.00 0.00 C ATOM 588 NZ LYS A 37 1.080 -15.774 -0.799 1.00 0.00 N ATOM 0 H LYS A 37 -2.402 -9.621 0.968 1.00 0.00 H new ATOM 0 HA LYS A 37 0.322 -10.165 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.343 -11.803 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.218 -10.958 -0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.063 -11.581 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.245 -12.042 0.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.800 -13.706 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.035 -13.555 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.205 -14.050 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.119 -14.596 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.814 -16.422 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.141 -16.175 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.193 -15.646 -1.825 1.00 0.00 H new ATOM 602 N GLU A 38 -0.395 -8.136 -0.784 1.00 0.00 N ATOM 603 CA GLU A 38 0.186 -7.155 -1.671 1.00 0.00 C ATOM 604 C GLU A 38 0.879 -6.077 -0.851 1.00 0.00 C ATOM 605 O GLU A 38 2.000 -5.677 -1.152 1.00 0.00 O ATOM 606 CB GLU A 38 -0.894 -6.542 -2.554 1.00 0.00 C ATOM 607 CG GLU A 38 -1.019 -7.211 -3.913 1.00 0.00 C ATOM 608 CD GLU A 38 -1.231 -8.709 -3.805 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.296 -9.410 -3.363 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.330 -9.180 -4.162 1.00 0.00 O ATOM 0 H GLU A 38 -1.415 -8.149 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 38 0.921 -7.639 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.852 -6.604 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.677 -5.484 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.853 -6.768 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.118 -7.016 -4.495 1.00 0.00 H new ATOM 617 N LEU A 39 0.203 -5.619 0.200 1.00 0.00 N ATOM 618 CA LEU A 39 0.753 -4.590 1.075 1.00 0.00 C ATOM 619 C LEU A 39 2.187 -4.924 1.472 1.00 0.00 C ATOM 620 O LEU A 39 3.013 -4.031 1.657 1.00 0.00 O ATOM 621 CB LEU A 39 -0.116 -4.436 2.326 1.00 0.00 C ATOM 622 CG LEU A 39 -1.221 -3.384 2.220 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.970 -3.264 3.539 1.00 0.00 C ATOM 624 CD2 LEU A 39 -0.639 -2.040 1.810 1.00 0.00 C ATOM 0 H LEU A 39 -0.726 -5.945 0.465 1.00 0.00 H new ATOM 0 HA LEU A 39 0.758 -3.647 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.573 -5.399 2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.528 -4.182 3.168 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.927 -3.700 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.753 -2.511 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.419 -4.225 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.276 -2.970 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.439 -1.303 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.088 -1.716 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.148 -2.136 0.842 1.00 0.00 H new ATOM 636 N LEU A 40 2.479 -6.216 1.597 1.00 0.00 N ATOM 637 CA LEU A 40 3.819 -6.655 1.965 1.00 0.00 C ATOM 638 C LEU A 40 4.847 -6.195 0.933 1.00 0.00 C ATOM 639 O LEU A 40 6.032 -6.069 1.239 1.00 0.00 O ATOM 640 CB LEU A 40 3.863 -8.178 2.104 1.00 0.00 C ATOM 641 CG LEU A 40 4.865 -8.707 3.131 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.384 -8.417 4.544 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.088 -10.199 2.937 1.00 0.00 C ATOM 0 H LEU A 40 1.810 -6.972 1.450 1.00 0.00 H new ATOM 0 HA LEU A 40 4.069 -6.204 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.868 -8.531 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.101 -8.609 1.132 1.00 0.00 H new ATOM 0 HG LEU A 40 5.816 -8.195 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.110 -8.801 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.276 -7.341 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.421 -8.902 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.804 -10.559 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.143 -10.727 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.478 -10.381 1.936 1.00 0.00 H new ATOM 655 N ARG A 41 4.385 -5.942 -0.288 1.00 0.00 N ATOM 656 CA ARG A 41 5.266 -5.494 -1.359 1.00 0.00 C ATOM 657 C ARG A 41 5.727 -4.059 -1.120 1.00 0.00 C ATOM 658 O ARG A 41 6.925 -3.775 -1.130 1.00 0.00 O ATOM 659 CB ARG A 41 4.561 -5.601 -2.712 1.00 0.00 C ATOM 660 CG ARG A 41 4.521 -7.017 -3.263 1.00 0.00 C ATOM 661 CD ARG A 41 5.918 -7.544 -3.546 1.00 0.00 C ATOM 662 NE ARG A 41 6.493 -8.221 -2.385 1.00 0.00 N ATOM 663 CZ ARG A 41 7.732 -8.706 -2.349 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.528 -8.593 -3.404 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.176 -9.306 -1.253 1.00 0.00 N ATOM 0 H ARG A 41 3.407 -6.040 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 41 6.143 -6.141 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.541 -5.229 -2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.067 -4.955 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.021 -7.672 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.931 -7.035 -4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.881 -8.236 -4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.565 -6.717 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 41 5.911 -8.328 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.192 -8.132 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.476 -8.967 -3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.568 -9.395 -0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.125 -9.678 -1.224 1.00 0.00 H new ATOM 679 N VAL A 42 4.775 -3.157 -0.898 1.00 0.00 N ATOM 680 CA VAL A 42 5.098 -1.756 -0.652 1.00 0.00 C ATOM 681 C VAL A 42 6.031 -1.616 0.549 1.00 0.00 C ATOM 682 O VAL A 42 6.771 -0.638 0.660 1.00 0.00 O ATOM 683 CB VAL A 42 3.829 -0.912 -0.412 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.189 0.547 -0.167 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.874 -1.035 -1.591 1.00 0.00 C ATOM 0 H VAL A 42 3.778 -3.370 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 42 5.599 -1.384 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 42 3.330 -1.294 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.279 1.123 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.831 0.621 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.715 0.943 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.985 -0.433 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.367 -0.682 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.585 -2.078 -1.718 1.00 0.00 H new ATOM 695 N GLY A 43 5.996 -2.601 1.445 1.00 0.00 N ATOM 696 CA GLY A 43 6.848 -2.562 2.618 1.00 0.00 C ATOM 697 C GLY A 43 8.291 -2.889 2.289 1.00 0.00 C ATOM 698 O GLY A 43 9.211 -2.225 2.768 1.00 0.00 O ATOM 0 H GLY A 43 5.394 -3.422 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.796 -1.572 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.476 -3.270 3.358 1.00 0.00 H new ATOM 702 N GLN A 44 8.490 -3.913 1.465 1.00 0.00 N ATOM 703 CA GLN A 44 9.830 -4.324 1.067 1.00 0.00 C ATOM 704 C GLN A 44 10.457 -3.290 0.137 1.00 0.00 C ATOM 705 O GLN A 44 11.673 -3.100 0.131 1.00 0.00 O ATOM 706 CB GLN A 44 9.786 -5.689 0.377 1.00 0.00 C ATOM 707 CG GLN A 44 9.750 -6.860 1.346 1.00 0.00 C ATOM 708 CD GLN A 44 11.129 -7.418 1.636 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.509 -8.466 1.115 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.887 -6.720 2.473 1.00 0.00 N ATOM 0 H GLN A 44 7.740 -4.473 1.060 1.00 0.00 H new ATOM 0 HA GLN A 44 10.443 -4.401 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.907 -5.733 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.659 -5.789 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.288 -6.540 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.122 -7.649 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.532 -5.856 2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.824 -7.048 2.707 1.00 0.00 H new ATOM 719 N ILE A 45 9.614 -2.621 -0.644 1.00 0.00 N ATOM 720 CA ILE A 45 10.081 -1.603 -1.576 1.00 0.00 C ATOM 721 C ILE A 45 10.645 -0.402 -0.829 1.00 0.00 C ATOM 722 O ILE A 45 11.652 0.175 -1.238 1.00 0.00 O ATOM 723 CB ILE A 45 8.944 -1.141 -2.514 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.367 -2.336 -3.274 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.441 -0.082 -3.491 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.918 -2.156 -3.674 1.00 0.00 C ATOM 0 H ILE A 45 8.604 -2.766 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 45 10.871 -2.051 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 45 8.157 -0.698 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.964 -2.509 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.456 -3.228 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.622 0.227 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.809 0.781 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.248 -0.495 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.575 -3.042 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.309 -2.013 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.825 -1.283 -4.320 1.00 0.00 H new ATOM 738 N LEU A 46 10.002 -0.031 0.271 1.00 0.00 N ATOM 739 CA LEU A 46 10.465 1.098 1.067 1.00 0.00 C ATOM 740 C LEU A 46 11.636 0.684 1.949 1.00 0.00 C ATOM 741 O LEU A 46 12.479 1.508 2.307 1.00 0.00 O ATOM 742 CB LEU A 46 9.332 1.660 1.926 1.00 0.00 C ATOM 743 CG LEU A 46 9.675 2.941 2.694 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.522 3.874 1.838 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.405 3.643 3.149 1.00 0.00 C ATOM 0 H LEU A 46 9.165 -0.491 0.630 1.00 0.00 H new ATOM 0 HA LEU A 46 10.799 1.879 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.474 1.858 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.026 0.897 2.641 1.00 0.00 H new ATOM 0 HG LEU A 46 10.255 2.666 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.753 4.777 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.449 3.372 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.971 4.142 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.666 4.551 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.801 3.902 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.837 2.980 3.801 1.00 0.00 H new ATOM 757 N LYS A 47 11.689 -0.600 2.289 1.00 0.00 N ATOM 758 CA LYS A 47 12.762 -1.126 3.120 1.00 0.00 C ATOM 759 C LYS A 47 14.040 -1.278 2.302 1.00 0.00 C ATOM 760 O LYS A 47 15.145 -1.203 2.838 1.00 0.00 O ATOM 761 CB LYS A 47 12.361 -2.475 3.720 1.00 0.00 C ATOM 762 CG LYS A 47 13.059 -2.789 5.033 1.00 0.00 C ATOM 763 CD LYS A 47 14.381 -3.504 4.803 1.00 0.00 C ATOM 764 CE LYS A 47 14.197 -5.012 4.751 1.00 0.00 C ATOM 765 NZ LYS A 47 15.354 -5.734 5.347 1.00 0.00 N ATOM 0 H LYS A 47 11.000 -1.295 2.001 1.00 0.00 H new ATOM 0 HA LYS A 47 12.945 -0.422 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.283 -2.486 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.585 -3.264 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.235 -1.865 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.411 -3.410 5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.825 -3.158 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.078 -3.249 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.286 -5.285 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.068 -5.326 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.189 -6.759 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.220 -5.494 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.462 -5.454 6.343 1.00 0.00 H new ATOM 779 N GLU A 48 13.879 -1.488 0.997 1.00 0.00 N ATOM 780 CA GLU A 48 15.019 -1.646 0.105 1.00 0.00 C ATOM 781 C GLU A 48 15.899 -0.396 0.127 1.00 0.00 C ATOM 782 O GLU A 48 15.492 0.664 -0.350 1.00 0.00 O ATOM 783 CB GLU A 48 14.535 -1.919 -1.321 1.00 0.00 C ATOM 784 CG GLU A 48 14.622 -3.382 -1.723 1.00 0.00 C ATOM 785 CD GLU A 48 14.619 -3.574 -3.227 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.215 -2.732 -3.934 1.00 0.00 O ATOM 787 OE2 GLU A 48 14.022 -4.564 -3.698 1.00 0.00 O ATOM 0 H GLU A 48 12.971 -1.552 0.537 1.00 0.00 H new ATOM 0 HA GLU A 48 15.612 -2.493 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.501 -1.586 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.126 -1.324 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.531 -3.816 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.782 -3.925 -1.289 1.00 0.00 H new ATOM 794 N PRO A 49 17.120 -0.495 0.685 1.00 0.00 N ATOM 795 CA PRO A 49 18.044 0.641 0.763 1.00 0.00 C ATOM 796 C PRO A 49 18.239 1.327 -0.585 1.00 0.00 C ATOM 797 O PRO A 49 18.335 2.551 -0.659 1.00 0.00 O ATOM 798 CB PRO A 49 19.353 0.004 1.236 1.00 0.00 C ATOM 799 CG PRO A 49 18.933 -1.217 1.977 1.00 0.00 C ATOM 800 CD PRO A 49 17.694 -1.716 1.284 1.00 0.00 C ATOM 0 HA PRO A 49 17.672 1.423 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.999 -0.246 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.915 0.683 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.719 -1.972 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.730 -0.988 3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.931 -2.462 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.002 -2.183 1.985 1.00 0.00 H new ATOM 808 N LYS A 50 18.290 0.532 -1.647 1.00 0.00 N ATOM 809 CA LYS A 50 18.466 1.068 -2.993 1.00 0.00 C ATOM 810 C LYS A 50 17.125 1.488 -3.592 1.00 0.00 C ATOM 811 O LYS A 50 17.059 1.936 -4.737 1.00 0.00 O ATOM 812 CB LYS A 50 19.138 0.031 -3.894 1.00 0.00 C ATOM 813 CG LYS A 50 20.105 0.634 -4.900 1.00 0.00 C ATOM 814 CD LYS A 50 19.460 0.794 -6.266 1.00 0.00 C ATOM 815 CE LYS A 50 19.846 -0.340 -7.201 1.00 0.00 C ATOM 816 NZ LYS A 50 18.849 -1.446 -7.173 1.00 0.00 N ATOM 0 H LYS A 50 18.212 -0.484 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 50 19.105 1.949 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.674 -0.686 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.369 -0.525 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.446 1.605 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.986 -0.002 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.376 0.823 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.762 1.746 -6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.936 0.042 -8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.825 -0.727 -6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.148 -2.200 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.782 -1.828 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.920 -1.083 -7.467 1.00 0.00 H new ATOM 830 N MET A 51 16.057 1.338 -2.812 1.00 0.00 N ATOM 831 CA MET A 51 14.720 1.696 -3.264 1.00 0.00 C ATOM 832 C MET A 51 14.147 2.840 -2.431 1.00 0.00 C ATOM 833 O MET A 51 13.323 3.617 -2.912 1.00 0.00 O ATOM 834 CB MET A 51 13.799 0.479 -3.182 1.00 0.00 C ATOM 835 CG MET A 51 12.444 0.692 -3.833 1.00 0.00 C ATOM 836 SD MET A 51 12.571 1.219 -5.553 1.00 0.00 S ATOM 837 CE MET A 51 11.172 2.329 -5.672 1.00 0.00 C ATOM 0 H MET A 51 16.095 0.970 -1.862 1.00 0.00 H new ATOM 0 HA MET A 51 14.788 2.029 -4.300 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.291 -0.370 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.651 0.216 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.872 -0.235 -3.783 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.888 1.441 -3.268 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.586 2.082 -6.557 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.549 2.226 -4.784 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.528 3.356 -5.748 1.00 0.00 H new ATOM 847 N ALA A 52 14.587 2.940 -1.179 1.00 0.00 N ATOM 848 CA ALA A 52 14.114 3.990 -0.286 1.00 0.00 C ATOM 849 C ALA A 52 14.547 5.366 -0.778 1.00 0.00 C ATOM 850 O ALA A 52 13.737 6.289 -0.866 1.00 0.00 O ATOM 851 CB ALA A 52 14.622 3.750 1.128 1.00 0.00 C ATOM 0 H ALA A 52 15.269 2.307 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 52 13.024 3.962 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.261 4.542 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.258 2.787 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.712 3.748 1.128 1.00 0.00 H new ATOM 857 N ALA A 53 15.830 5.498 -1.100 1.00 0.00 N ATOM 858 CA ALA A 53 16.371 6.761 -1.584 1.00 0.00 C ATOM 859 C ALA A 53 15.662 7.209 -2.858 1.00 0.00 C ATOM 860 O ALA A 53 15.526 8.405 -3.118 1.00 0.00 O ATOM 861 CB ALA A 53 17.867 6.637 -1.826 1.00 0.00 C ATOM 0 H ALA A 53 16.514 4.744 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 53 16.200 7.518 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.257 7.588 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.366 6.371 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.052 5.863 -2.570 1.00 0.00 H new ATOM 867 N SER A 54 15.213 6.242 -3.650 1.00 0.00 N ATOM 868 CA SER A 54 14.518 6.535 -4.898 1.00 0.00 C ATOM 869 C SER A 54 13.118 7.078 -4.628 1.00 0.00 C ATOM 870 O SER A 54 12.719 8.100 -5.188 1.00 0.00 O ATOM 871 CB SER A 54 14.431 5.278 -5.767 1.00 0.00 C ATOM 872 OG SER A 54 15.721 4.807 -6.113 1.00 0.00 O ATOM 0 H SER A 54 15.318 5.247 -3.450 1.00 0.00 H new ATOM 0 HA SER A 54 15.087 7.297 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.888 4.499 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.865 5.497 -6.673 1.00 0.00 H new ATOM 0 HG SER A 54 15.638 4.003 -6.667 1.00 0.00 H new ATOM 878 N LEU A 55 12.378 6.390 -3.767 1.00 0.00 N ATOM 879 CA LEU A 55 11.022 6.804 -3.424 1.00 0.00 C ATOM 880 C LEU A 55 11.014 8.200 -2.806 1.00 0.00 C ATOM 881 O LEU A 55 10.010 8.911 -2.869 1.00 0.00 O ATOM 882 CB LEU A 55 10.392 5.802 -2.454 1.00 0.00 C ATOM 883 CG LEU A 55 10.098 4.423 -3.048 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.989 3.381 -1.946 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.823 4.462 -3.875 1.00 0.00 C ATOM 0 H LEU A 55 12.693 5.543 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 55 10.436 6.832 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.058 5.678 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.461 6.223 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 55 10.924 4.145 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.780 2.406 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.928 3.336 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.181 3.653 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.628 3.473 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.988 4.761 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.938 5.180 -4.687 1.00 0.00 H new ATOM 897 N LEU A 56 12.136 8.587 -2.207 1.00 0.00 N ATOM 898 CA LEU A 56 12.254 9.897 -1.576 1.00 0.00 C ATOM 899 C LEU A 56 12.946 10.901 -2.498 1.00 0.00 C ATOM 900 O LEU A 56 12.899 12.107 -2.257 1.00 0.00 O ATOM 901 CB LEU A 56 13.025 9.783 -0.261 1.00 0.00 C ATOM 902 CG LEU A 56 13.239 11.104 0.481 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.226 10.879 1.986 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.546 11.752 0.048 1.00 0.00 C ATOM 0 H LEU A 56 12.976 8.012 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 56 11.246 10.260 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.492 9.097 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.998 9.337 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 56 12.421 11.778 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.380 11.829 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.265 10.458 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.024 10.188 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.682 12.690 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.376 11.082 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.517 11.949 -1.024 1.00 0.00 H new ATOM 916 N ASN A 57 13.589 10.402 -3.551 1.00 0.00 N ATOM 917 CA ASN A 57 14.288 11.264 -4.497 1.00 0.00 C ATOM 918 C ASN A 57 13.346 12.315 -5.081 1.00 0.00 C ATOM 919 O ASN A 57 12.168 12.044 -5.312 1.00 0.00 O ATOM 920 CB ASN A 57 14.898 10.429 -5.626 1.00 0.00 C ATOM 921 CG ASN A 57 16.280 9.913 -5.281 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.825 10.222 -4.222 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.856 9.120 -6.178 1.00 0.00 N ATOM 0 H ASN A 57 13.640 9.407 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 57 15.085 11.776 -3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.243 9.586 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.954 11.033 -6.531 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.787 8.742 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.368 8.890 -7.043 1.00 0.00 H new ATOM 930 N PRO A 58 13.857 13.534 -5.331 1.00 0.00 N ATOM 931 CA PRO A 58 13.056 14.626 -5.891 1.00 0.00 C ATOM 932 C PRO A 58 12.849 14.489 -7.399 1.00 0.00 C ATOM 933 O PRO A 58 12.199 15.328 -8.022 1.00 0.00 O ATOM 934 CB PRO A 58 13.897 15.862 -5.578 1.00 0.00 C ATOM 935 CG PRO A 58 15.303 15.367 -5.586 1.00 0.00 C ATOM 936 CD PRO A 58 15.254 13.946 -5.086 1.00 0.00 C ATOM 0 HA PRO A 58 12.050 14.653 -5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.747 16.644 -6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.632 16.288 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.725 15.412 -6.590 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.936 15.983 -4.947 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.959 13.309 -5.621 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.509 13.885 -4.028 1.00 0.00 H new ATOM 944 N TYR A 59 13.406 13.430 -7.981 1.00 0.00 N ATOM 945 CA TYR A 59 13.282 13.190 -9.412 1.00 0.00 C ATOM 946 C TYR A 59 12.043 12.355 -9.721 1.00 0.00 C ATOM 947 O TYR A 59 11.453 12.475 -10.795 1.00 0.00 O ATOM 948 CB TYR A 59 14.533 12.483 -9.938 1.00 0.00 C ATOM 949 CG TYR A 59 15.814 13.237 -9.661 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.369 13.256 -8.386 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.467 13.931 -10.671 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.538 13.945 -8.129 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.638 14.621 -10.421 1.00 0.00 C ATOM 954 CZ TYR A 59 18.168 14.627 -9.149 1.00 0.00 C ATOM 955 OH TYR A 59 19.334 15.313 -8.895 1.00 0.00 O ATOM 0 H TYR A 59 13.948 12.725 -7.481 1.00 0.00 H new ATOM 0 HA TYR A 59 13.179 14.154 -9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.598 11.493 -9.486 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.433 12.336 -11.013 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.878 12.724 -7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.053 13.932 -11.668 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.957 13.950 -7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.135 15.153 -11.219 1.00 0.00 H new ATOM 0 HH TYR A 59 19.650 15.738 -9.720 1.00 0.00 H new ATOM 965 N VAL A 60 11.655 11.508 -8.773 1.00 0.00 N ATOM 966 CA VAL A 60 10.487 10.652 -8.942 1.00 0.00 C ATOM 967 C VAL A 60 9.235 11.471 -9.243 1.00 0.00 C ATOM 968 O VAL A 60 8.272 10.962 -9.817 1.00 0.00 O ATOM 969 CB VAL A 60 10.236 9.793 -7.689 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.385 8.822 -7.467 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.030 10.678 -6.467 1.00 0.00 C ATOM 0 H VAL A 60 12.133 11.396 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 60 10.698 9.998 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 60 9.327 9.212 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.189 8.224 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.479 8.165 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.312 9.380 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.854 10.054 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.919 11.288 -6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.169 11.327 -6.629 1.00 0.00 H new ATOM 981 N LYS A 61 9.253 12.743 -8.851 1.00 0.00 N ATOM 982 CA LYS A 61 8.118 13.632 -9.081 1.00 0.00 C ATOM 983 C LYS A 61 6.903 13.183 -8.275 1.00 0.00 C ATOM 984 O LYS A 61 6.855 12.057 -7.779 1.00 0.00 O ATOM 985 CB LYS A 61 7.767 13.678 -10.570 1.00 0.00 C ATOM 986 CG LYS A 61 7.022 14.937 -10.981 1.00 0.00 C ATOM 987 CD LYS A 61 7.250 15.266 -12.447 1.00 0.00 C ATOM 988 CE LYS A 61 7.203 16.765 -12.696 1.00 0.00 C ATOM 989 NZ LYS A 61 7.132 17.085 -14.147 1.00 0.00 N ATOM 0 H LYS A 61 10.041 13.180 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 61 8.402 14.632 -8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.685 13.602 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.158 12.808 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.955 14.806 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.351 15.773 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.217 14.874 -12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.492 14.771 -13.054 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.338 17.190 -12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.088 17.233 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.102 18.117 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.970 16.702 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.274 16.661 -14.555 1.00 0.00 H new ATOM 1003 N ARG A 62 5.923 14.072 -8.148 1.00 0.00 N ATOM 1004 CA ARG A 62 4.706 13.769 -7.403 1.00 0.00 C ATOM 1005 C ARG A 62 3.599 13.292 -8.339 1.00 0.00 C ATOM 1006 O ARG A 62 2.441 13.685 -8.199 1.00 0.00 O ATOM 1007 CB ARG A 62 4.239 15.001 -6.626 1.00 0.00 C ATOM 1008 CG ARG A 62 3.305 14.674 -5.472 1.00 0.00 C ATOM 1009 CD ARG A 62 3.938 13.690 -4.504 1.00 0.00 C ATOM 1010 NE ARG A 62 3.577 13.975 -3.118 1.00 0.00 N ATOM 1011 CZ ARG A 62 4.142 14.934 -2.386 1.00 0.00 C ATOM 1012 NH1 ARG A 62 5.093 15.700 -2.905 1.00 0.00 N ATOM 1013 NH2 ARG A 62 3.754 15.128 -1.134 1.00 0.00 N ATOM 0 H ARG A 62 5.948 15.008 -8.552 1.00 0.00 H new ATOM 0 HA ARG A 62 4.931 12.968 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.111 15.528 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.733 15.682 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.045 15.591 -4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.376 14.256 -5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.624 12.678 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.022 13.724 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 62 2.849 13.406 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.395 15.556 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.522 16.433 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.022 14.543 -0.730 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.187 15.862 -0.574 1.00 0.00 H new ATOM 1027 N SER A 63 3.965 12.442 -9.293 1.00 0.00 N ATOM 1028 CA SER A 63 3.006 11.910 -10.254 1.00 0.00 C ATOM 1029 C SER A 63 3.656 10.850 -11.137 1.00 0.00 C ATOM 1030 O SER A 63 3.056 9.815 -11.427 1.00 0.00 O ATOM 1031 CB SER A 63 2.440 13.037 -11.119 1.00 0.00 C ATOM 1032 OG SER A 63 1.121 12.739 -11.546 1.00 0.00 O ATOM 0 H SER A 63 4.920 12.107 -9.421 1.00 0.00 H new ATOM 0 HA SER A 63 2.191 11.445 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.441 13.969 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.081 13.190 -11.987 1.00 0.00 H new ATOM 0 HG SER A 63 0.781 13.475 -12.096 1.00 0.00 H new ATOM 1038 N VAL A 64 4.888 11.117 -11.560 1.00 0.00 N ATOM 1039 CA VAL A 64 5.622 10.186 -12.408 1.00 0.00 C ATOM 1040 C VAL A 64 5.851 8.859 -11.692 1.00 0.00 C ATOM 1041 O VAL A 64 5.756 7.792 -12.298 1.00 0.00 O ATOM 1042 CB VAL A 64 6.982 10.771 -12.836 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.676 9.845 -13.824 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.804 12.160 -13.431 1.00 0.00 C ATOM 0 H VAL A 64 5.398 11.970 -11.329 1.00 0.00 H new ATOM 0 HA VAL A 64 5.014 10.016 -13.297 1.00 0.00 H new ATOM 0 HB VAL A 64 7.612 10.858 -11.951 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.634 10.275 -14.114 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.841 8.873 -13.358 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.051 9.722 -14.708 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.775 12.556 -13.727 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.155 12.101 -14.304 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.354 12.819 -12.688 1.00 0.00 H new ATOM 1054 N LYS A 65 6.151 8.935 -10.400 1.00 0.00 N ATOM 1055 CA LYS A 65 6.391 7.739 -9.601 1.00 0.00 C ATOM 1056 C LYS A 65 5.159 6.839 -9.592 1.00 0.00 C ATOM 1057 O LYS A 65 5.272 5.616 -9.500 1.00 0.00 O ATOM 1058 CB LYS A 65 6.767 8.123 -8.168 1.00 0.00 C ATOM 1059 CG LYS A 65 7.843 7.238 -7.563 1.00 0.00 C ATOM 1060 CD LYS A 65 7.244 6.005 -6.904 1.00 0.00 C ATOM 1061 CE LYS A 65 8.144 4.791 -7.074 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.438 4.513 -8.507 1.00 0.00 N ATOM 0 H LYS A 65 6.234 9.811 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 65 7.219 7.191 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.110 9.157 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.876 8.076 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.544 6.933 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.411 7.806 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.088 6.198 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.266 5.798 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.078 4.954 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.666 3.920 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.519 3.486 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.668 4.887 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.333 4.972 -8.773 1.00 0.00 H new ATOM 1076 N VAL A 66 3.985 7.451 -9.690 1.00 0.00 N ATOM 1077 CA VAL A 66 2.732 6.707 -9.694 1.00 0.00 C ATOM 1078 C VAL A 66 2.642 5.796 -10.914 1.00 0.00 C ATOM 1079 O VAL A 66 2.354 4.605 -10.790 1.00 0.00 O ATOM 1080 CB VAL A 66 1.516 7.651 -9.681 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.227 6.864 -9.500 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.667 8.700 -8.589 1.00 0.00 C ATOM 0 H VAL A 66 3.875 8.462 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 66 2.719 6.102 -8.787 1.00 0.00 H new ATOM 0 HB VAL A 66 1.468 8.163 -10.642 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.620 7.550 -9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.115 6.156 -10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.262 6.321 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.798 9.359 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.743 8.208 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.568 9.286 -8.770 1.00 0.00 H new ATOM 1092 N LYS A 67 2.893 6.361 -12.089 1.00 0.00 N ATOM 1093 CA LYS A 67 2.842 5.595 -13.328 1.00 0.00 C ATOM 1094 C LYS A 67 3.890 4.489 -13.320 1.00 0.00 C ATOM 1095 O LYS A 67 3.614 3.355 -13.710 1.00 0.00 O ATOM 1096 CB LYS A 67 3.058 6.513 -14.533 1.00 0.00 C ATOM 1097 CG LYS A 67 2.236 6.123 -15.750 1.00 0.00 C ATOM 1098 CD LYS A 67 2.970 5.113 -16.618 1.00 0.00 C ATOM 1099 CE LYS A 67 2.415 5.086 -18.032 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.926 5.039 -18.044 1.00 0.00 N ATOM 0 H LYS A 67 3.133 7.345 -12.210 1.00 0.00 H new ATOM 0 HA LYS A 67 1.855 5.139 -13.405 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.809 7.536 -14.249 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.115 6.505 -14.801 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.283 5.703 -15.427 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.009 7.013 -16.338 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.031 5.360 -16.647 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.886 4.121 -16.174 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.755 5.970 -18.572 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.810 4.218 -18.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.594 4.801 -19.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.596 4.316 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.547 5.967 -17.767 1.00 0.00 H new ATOM 1114 N SER A 68 5.093 4.826 -12.865 1.00 0.00 N ATOM 1115 CA SER A 68 6.179 3.857 -12.800 1.00 0.00 C ATOM 1116 C SER A 68 5.833 2.729 -11.833 1.00 0.00 C ATOM 1117 O SER A 68 6.308 1.602 -11.981 1.00 0.00 O ATOM 1118 CB SER A 68 7.478 4.540 -12.369 1.00 0.00 C ATOM 1119 OG SER A 68 7.581 4.603 -10.956 1.00 0.00 O ATOM 0 H SER A 68 5.339 5.760 -12.537 1.00 0.00 H new ATOM 0 HA SER A 68 6.319 3.432 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.330 3.995 -12.774 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.517 5.547 -12.784 1.00 0.00 H new ATOM 0 HG SER A 68 6.726 4.898 -10.579 1.00 0.00 H new ATOM 1125 N LEU A 69 5.000 3.040 -10.844 1.00 0.00 N ATOM 1126 CA LEU A 69 4.588 2.054 -9.854 1.00 0.00 C ATOM 1127 C LEU A 69 3.773 0.941 -10.506 1.00 0.00 C ATOM 1128 O LEU A 69 3.981 -0.240 -10.232 1.00 0.00 O ATOM 1129 CB LEU A 69 3.770 2.724 -8.746 1.00 0.00 C ATOM 1130 CG LEU A 69 4.278 2.472 -7.325 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.190 3.603 -6.877 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.111 2.312 -6.362 1.00 0.00 C ATOM 0 H LEU A 69 4.598 3.967 -10.708 1.00 0.00 H new ATOM 0 HA LEU A 69 5.484 1.615 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.756 3.799 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.739 2.376 -8.814 1.00 0.00 H new ATOM 0 HG LEU A 69 4.853 1.546 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.542 3.407 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.044 3.671 -7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.639 4.543 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.491 2.133 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.509 3.220 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.496 1.467 -6.673 1.00 0.00 H new ATOM 1144 N SER A 70 2.840 1.329 -11.370 1.00 0.00 N ATOM 1145 CA SER A 70 1.986 0.371 -12.063 1.00 0.00 C ATOM 1146 C SER A 70 2.805 -0.590 -12.920 1.00 0.00 C ATOM 1147 O SER A 70 2.331 -1.665 -13.284 1.00 0.00 O ATOM 1148 CB SER A 70 0.962 1.103 -12.931 1.00 0.00 C ATOM 1149 OG SER A 70 -0.233 0.350 -13.054 1.00 0.00 O ATOM 0 H SER A 70 2.656 2.304 -11.607 1.00 0.00 H new ATOM 0 HA SER A 70 1.463 -0.214 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.739 2.076 -12.494 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.383 1.287 -13.919 1.00 0.00 H new ATOM 0 HG SER A 70 -0.872 0.840 -13.612 1.00 0.00 H new ATOM 1155 N ASP A 71 4.038 -0.207 -13.234 1.00 0.00 N ATOM 1156 CA ASP A 71 4.909 -1.056 -14.035 1.00 0.00 C ATOM 1157 C ASP A 71 5.748 -1.941 -13.129 1.00 0.00 C ATOM 1158 O ASP A 71 5.957 -3.120 -13.414 1.00 0.00 O ATOM 1159 CB ASP A 71 5.810 -0.209 -14.936 1.00 0.00 C ATOM 1160 CG ASP A 71 5.124 0.190 -16.229 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.045 0.814 -16.159 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.667 -0.123 -17.309 1.00 0.00 O ATOM 0 H ASP A 71 4.454 0.680 -12.948 1.00 0.00 H new ATOM 0 HA ASP A 71 4.289 -1.688 -14.671 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.116 0.688 -14.398 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.717 -0.768 -15.167 1.00 0.00 H new ATOM 1167 N MET A 72 6.207 -1.369 -12.024 1.00 0.00 N ATOM 1168 CA MET A 72 7.000 -2.114 -11.062 1.00 0.00 C ATOM 1169 C MET A 72 6.103 -3.043 -10.265 1.00 0.00 C ATOM 1170 O MET A 72 6.543 -4.097 -9.806 1.00 0.00 O ATOM 1171 CB MET A 72 7.756 -1.163 -10.127 1.00 0.00 C ATOM 1172 CG MET A 72 6.917 -0.649 -8.965 1.00 0.00 C ATOM 1173 SD MET A 72 7.799 0.538 -7.935 1.00 0.00 S ATOM 1174 CE MET A 72 6.876 0.404 -6.406 1.00 0.00 C ATOM 0 H MET A 72 6.043 -0.394 -11.774 1.00 0.00 H new ATOM 0 HA MET A 72 7.736 -2.710 -11.602 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.632 -1.677 -9.731 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.119 -0.313 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.012 -0.183 -9.355 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.601 -1.492 -8.350 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.735 1.396 -5.978 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.904 -0.046 -6.606 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.427 -0.220 -5.702 1.00 0.00 H new ATOM 1184 N THR A 73 4.835 -2.662 -10.111 1.00 0.00 N ATOM 1185 CA THR A 73 3.909 -3.501 -9.379 1.00 0.00 C ATOM 1186 C THR A 73 3.725 -4.818 -10.102 1.00 0.00 C ATOM 1187 O THR A 73 3.506 -5.854 -9.475 1.00 0.00 O ATOM 1188 CB THR A 73 2.557 -2.833 -9.177 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.750 -3.660 -8.375 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.793 -2.588 -10.448 1.00 0.00 C ATOM 0 H THR A 73 4.439 -1.796 -10.477 1.00 0.00 H new ATOM 0 HA THR A 73 4.339 -3.673 -8.392 1.00 0.00 H new ATOM 0 HB THR A 73 2.773 -1.867 -8.721 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.206 -3.838 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.842 -2.109 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.375 -1.939 -11.103 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.608 -3.538 -10.950 1.00 0.00 H new ATOM 1198 N ALA A 74 3.845 -4.784 -11.430 1.00 0.00 N ATOM 1199 CA ALA A 74 3.720 -5.997 -12.219 1.00 0.00 C ATOM 1200 C ALA A 74 4.611 -7.083 -11.628 1.00 0.00 C ATOM 1201 O ALA A 74 4.332 -8.276 -11.759 1.00 0.00 O ATOM 1202 CB ALA A 74 4.089 -5.732 -13.671 1.00 0.00 C ATOM 0 H ALA A 74 4.026 -3.938 -11.971 1.00 0.00 H new ATOM 0 HA ALA A 74 2.684 -6.334 -12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.989 -6.653 -14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.424 -4.973 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.119 -5.380 -13.726 1.00 0.00 H new ATOM 1208 N LYS A 75 5.683 -6.652 -10.960 1.00 0.00 N ATOM 1209 CA LYS A 75 6.613 -7.576 -10.332 1.00 0.00 C ATOM 1210 C LYS A 75 6.315 -7.732 -8.841 1.00 0.00 C ATOM 1211 O LYS A 75 6.663 -8.749 -8.241 1.00 0.00 O ATOM 1212 CB LYS A 75 8.053 -7.100 -10.538 1.00 0.00 C ATOM 1213 CG LYS A 75 9.091 -7.982 -9.866 1.00 0.00 C ATOM 1214 CD LYS A 75 10.408 -7.971 -10.625 1.00 0.00 C ATOM 1215 CE LYS A 75 11.058 -9.345 -10.635 1.00 0.00 C ATOM 1216 NZ LYS A 75 12.055 -9.496 -9.540 1.00 0.00 N ATOM 0 H LYS A 75 5.924 -5.668 -10.843 1.00 0.00 H new ATOM 0 HA LYS A 75 6.491 -8.551 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.263 -7.058 -11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.149 -6.084 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.256 -7.638 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.715 -9.003 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.236 -7.642 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.086 -7.250 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.289 -10.111 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.546 -9.508 -11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.475 -10.446 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.803 -8.782 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.585 -9.366 -8.622 1.00 0.00 H new ATOM 1230 N GLU A 76 5.666 -6.733 -8.246 1.00 0.00 N ATOM 1231 CA GLU A 76 5.332 -6.794 -6.830 1.00 0.00 C ATOM 1232 C GLU A 76 4.188 -7.770 -6.593 1.00 0.00 C ATOM 1233 O GLU A 76 4.369 -8.794 -5.934 1.00 0.00 O ATOM 1234 CB GLU A 76 4.951 -5.408 -6.305 1.00 0.00 C ATOM 1235 CG GLU A 76 6.148 -4.541 -5.942 1.00 0.00 C ATOM 1236 CD GLU A 76 7.202 -4.507 -7.031 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.787 -5.572 -7.324 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.445 -3.418 -7.589 1.00 0.00 O ATOM 0 H GLU A 76 5.365 -5.881 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 76 6.212 -7.144 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.357 -4.894 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.317 -5.524 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.807 -3.525 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.596 -4.915 -5.021 1.00 0.00 H new ATOM 1245 N LYS A 77 3.017 -7.446 -7.147 1.00 0.00 N ATOM 1246 CA LYS A 77 1.817 -8.285 -7.019 1.00 0.00 C ATOM 1247 C LYS A 77 0.543 -7.470 -7.252 1.00 0.00 C ATOM 1248 O LYS A 77 -0.427 -7.979 -7.813 1.00 0.00 O ATOM 1249 CB LYS A 77 1.734 -8.951 -5.636 1.00 0.00 C ATOM 1250 CG LYS A 77 1.722 -10.472 -5.689 1.00 0.00 C ATOM 1251 CD LYS A 77 2.938 -11.022 -6.419 1.00 0.00 C ATOM 1252 CE LYS A 77 2.620 -12.334 -7.118 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.519 -12.576 -8.280 1.00 0.00 N ATOM 0 H LYS A 77 2.871 -6.598 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 77 1.898 -9.059 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.582 -8.624 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.832 -8.607 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.696 -10.871 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.814 -10.811 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.285 -10.293 -7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.752 -11.174 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.715 -13.156 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.584 -12.323 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.270 -13.480 -8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.410 -11.805 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.506 -12.612 -7.954 1.00 0.00 H new ATOM 1267 N PHE A 78 0.542 -6.214 -6.797 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.627 -5.339 -6.933 1.00 0.00 C ATOM 1269 C PHE A 78 -1.322 -5.505 -8.259 1.00 0.00 C ATOM 1270 O PHE A 78 -0.734 -5.968 -9.236 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.249 -3.873 -6.768 1.00 0.00 C ATOM 1272 CG PHE A 78 0.695 -3.648 -5.644 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.414 -4.170 -4.404 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.863 -2.936 -5.828 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.280 -3.984 -3.356 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.741 -2.748 -4.784 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.448 -3.273 -3.542 1.00 0.00 C ATOM 0 H PHE A 78 1.338 -5.779 -6.331 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.310 -5.638 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.201 -3.512 -7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.152 -3.286 -6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.496 -4.731 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.090 -2.523 -6.800 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.047 -4.394 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.654 -2.192 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.131 -3.128 -2.718 1.00 0.00 H new ATOM 1287 N SER A 79 -2.578 -5.094 -8.278 1.00 0.00 N ATOM 1288 CA SER A 79 -3.385 -5.161 -9.484 1.00 0.00 C ATOM 1289 C SER A 79 -4.876 -5.075 -9.180 1.00 0.00 C ATOM 1290 O SER A 79 -5.615 -4.386 -9.883 1.00 0.00 O ATOM 1291 CB SER A 79 -3.099 -6.445 -10.272 1.00 0.00 C ATOM 1292 OG SER A 79 -2.129 -6.219 -11.281 1.00 0.00 O ATOM 0 H SER A 79 -3.063 -4.709 -7.468 1.00 0.00 H new ATOM 0 HA SER A 79 -3.108 -4.298 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.748 -7.222 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.021 -6.811 -10.725 1.00 0.00 H new ATOM 0 HG SER A 79 -1.283 -5.949 -10.867 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.363 -5.813 -8.171 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.772 -5.839 -7.845 1.00 0.00 C ATOM 1300 C PRO A 80 -7.187 -4.933 -6.693 1.00 0.00 C ATOM 1301 O PRO A 80 -7.795 -3.887 -6.919 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.984 -7.308 -7.487 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.650 -7.797 -6.985 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.618 -6.736 -7.315 1.00 0.00 C ATOM 0 HA PRO A 80 -7.378 -5.463 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.755 -7.419 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.310 -7.880 -8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.687 -7.974 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.388 -8.745 -7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.244 -6.243 -6.418 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.755 -7.158 -7.830 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.873 -5.322 -5.460 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.250 -4.506 -4.319 1.00 0.00 C ATOM 1314 C LEU A 81 -6.109 -3.586 -3.947 1.00 0.00 C ATOM 1315 O LEU A 81 -6.161 -2.873 -2.945 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.640 -5.379 -3.132 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.127 -5.732 -3.058 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.976 -4.469 -3.049 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.518 -6.629 -4.223 1.00 0.00 C ATOM 0 H LEU A 81 -6.369 -6.179 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.117 -3.904 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.063 -6.303 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.356 -4.866 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.307 -6.273 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.030 -4.740 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.714 -3.860 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.793 -3.901 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.579 -6.871 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.323 -6.111 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.933 -7.548 -4.187 1.00 0.00 H new ATOM 1331 N THR A 82 -5.079 -3.612 -4.773 1.00 0.00 N ATOM 1332 CA THR A 82 -3.915 -2.796 -4.562 1.00 0.00 C ATOM 1333 C THR A 82 -3.648 -1.908 -5.768 1.00 0.00 C ATOM 1334 O THR A 82 -2.765 -1.055 -5.730 1.00 0.00 O ATOM 1335 CB THR A 82 -2.714 -3.676 -4.267 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.114 -5.023 -4.075 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.975 -3.235 -3.025 1.00 0.00 C ATOM 0 H THR A 82 -5.033 -4.201 -5.605 1.00 0.00 H new ATOM 0 HA THR A 82 -4.095 -2.147 -3.705 1.00 0.00 H new ATOM 0 HB THR A 82 -2.054 -3.588 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.310 -5.174 -3.127 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.124 -3.894 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.621 -2.212 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.646 -3.280 -2.167 1.00 0.00 H new ATOM 1345 N SER A 83 -4.427 -2.082 -6.836 1.00 0.00 N ATOM 1346 CA SER A 83 -4.247 -1.256 -8.016 1.00 0.00 C ATOM 1347 C SER A 83 -4.998 0.063 -7.860 1.00 0.00 C ATOM 1348 O SER A 83 -5.383 0.703 -8.838 1.00 0.00 O ATOM 1349 CB SER A 83 -4.716 -1.978 -9.275 1.00 0.00 C ATOM 1350 OG SER A 83 -4.738 -1.101 -10.388 1.00 0.00 O ATOM 0 H SER A 83 -5.173 -2.775 -6.903 1.00 0.00 H new ATOM 0 HA SER A 83 -3.182 -1.051 -8.119 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.054 -2.819 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.712 -2.389 -9.112 1.00 0.00 H new ATOM 0 HG SER A 83 -5.340 -0.351 -10.201 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.179 0.457 -6.611 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.853 1.694 -6.256 1.00 0.00 C ATOM 1358 C ASN A 84 -5.089 2.293 -5.100 1.00 0.00 C ATOM 1359 O ASN A 84 -4.730 3.470 -5.105 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.309 1.432 -5.865 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.109 2.712 -5.727 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.912 3.418 -4.619 1.00 0.00 O flip ATOM 1363 ND2 ASN A 84 -8.896 3.064 -6.606 1.00 0.00 N flip ATOM 0 H ASN A 84 -4.858 -0.080 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.873 2.378 -7.105 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.775 0.795 -6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.337 0.886 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.017 2.491 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.427 3.928 -6.499 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.783 1.433 -4.134 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.990 1.825 -2.994 1.00 0.00 C ATOM 1372 C LEU A 85 -2.584 2.151 -3.480 1.00 0.00 C ATOM 1373 O LEU A 85 -1.822 2.839 -2.800 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.942 0.695 -1.958 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.239 1.045 -0.644 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.232 1.606 0.361 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.536 -0.179 -0.072 1.00 0.00 C ATOM 0 H LEU A 85 -5.078 0.457 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.435 2.698 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.963 0.385 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.439 -0.163 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.489 1.809 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.713 1.849 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.690 2.508 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.005 0.864 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.042 0.089 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.268 -0.964 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.794 -0.539 -0.785 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.247 1.649 -4.679 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.939 1.889 -5.259 1.00 0.00 C ATOM 1391 C ILE A 86 -0.782 3.358 -5.648 1.00 0.00 C ATOM 1392 O ILE A 86 0.161 4.025 -5.224 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.690 0.973 -6.487 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.244 -0.176 -6.104 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.110 1.750 -7.665 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.226 -0.966 -4.902 1.00 0.00 C ATOM 0 H ILE A 86 -2.867 1.079 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.192 1.648 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.653 0.569 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.344 -0.850 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.236 0.227 -5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.050 1.073 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.805 2.536 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.840 2.197 -7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.486 -1.764 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.299 -0.305 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.204 -1.399 -5.111 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.714 3.852 -6.456 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.681 5.239 -6.900 1.00 0.00 C ATOM 1410 C ASN A 87 -1.884 6.186 -5.722 1.00 0.00 C ATOM 1411 O ASN A 87 -1.349 7.293 -5.704 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.756 5.485 -7.959 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.494 4.716 -9.239 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.877 5.232 -10.171 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.961 3.474 -9.290 1.00 0.00 N ATOM 0 H ASN A 87 -2.501 3.312 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.702 5.433 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.728 5.198 -7.559 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.805 6.551 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.814 2.908 -10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.467 3.086 -8.494 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.661 5.741 -4.740 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.934 6.547 -3.557 1.00 0.00 C ATOM 1424 C LEU A 88 -1.702 6.639 -2.666 1.00 0.00 C ATOM 1425 O LEU A 88 -1.476 7.654 -2.006 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.109 5.958 -2.772 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.120 6.982 -2.256 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.520 6.386 -2.233 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.724 7.469 -0.870 1.00 0.00 C ATOM 0 H LEU A 88 -3.113 4.826 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.196 7.553 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.631 5.244 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.715 5.399 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.122 7.836 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.226 7.129 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.804 6.086 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.534 5.515 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.454 8.197 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.694 6.624 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.740 7.935 -0.916 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.902 5.576 -2.652 1.00 0.00 N ATOM 1442 CA LEU A 89 0.307 5.550 -1.841 1.00 0.00 C ATOM 1443 C LEU A 89 1.440 6.300 -2.535 1.00 0.00 C ATOM 1444 O LEU A 89 2.319 6.860 -1.882 1.00 0.00 O ATOM 1445 CB LEU A 89 0.726 4.106 -1.556 1.00 0.00 C ATOM 1446 CG LEU A 89 0.368 3.599 -0.158 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.415 2.079 -0.114 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.307 4.196 0.877 1.00 0.00 C ATOM 0 H LEU A 89 -1.070 4.726 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 89 0.094 6.048 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.259 3.454 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.804 4.021 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.648 3.915 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.158 1.736 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.298 1.672 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.419 1.739 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.040 3.826 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.333 3.908 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.223 5.283 0.861 1.00 0.00 H new ATOM 1460 N ALA A 90 1.407 6.310 -3.864 1.00 0.00 N ATOM 1461 CA ALA A 90 2.427 6.996 -4.647 1.00 0.00 C ATOM 1462 C ALA A 90 1.980 8.403 -5.036 1.00 0.00 C ATOM 1463 O ALA A 90 2.699 9.119 -5.733 1.00 0.00 O ATOM 1464 CB ALA A 90 2.766 6.187 -5.890 1.00 0.00 C ATOM 0 H ALA A 90 0.685 5.851 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 90 3.319 7.090 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.529 6.709 -6.467 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.141 5.207 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.871 6.064 -6.500 1.00 0.00 H new ATOM 1470 N GLU A 91 0.791 8.801 -4.583 1.00 0.00 N ATOM 1471 CA GLU A 91 0.263 10.126 -4.891 1.00 0.00 C ATOM 1472 C GLU A 91 0.264 11.014 -3.651 1.00 0.00 C ATOM 1473 O GLU A 91 0.964 12.025 -3.600 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.154 10.016 -5.456 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.778 11.359 -5.803 1.00 0.00 C ATOM 1476 CD GLU A 91 -1.797 11.623 -7.296 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -0.877 11.151 -7.995 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -2.733 12.303 -7.766 1.00 0.00 O ATOM 0 H GLU A 91 0.179 8.226 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 91 0.909 10.582 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.132 9.393 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.787 9.508 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.797 11.392 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.223 12.153 -5.304 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.524 10.628 -2.654 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.615 11.390 -1.412 1.00 0.00 C ATOM 1487 C ASN A 92 0.755 11.526 -0.755 1.00 0.00 C ATOM 1488 O ASN A 92 1.014 12.492 -0.036 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.592 10.715 -0.447 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.012 11.632 0.684 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.658 11.411 1.842 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -2.771 12.670 0.355 1.00 0.00 N ATOM 0 H ASN A 92 -1.109 9.793 -2.680 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.982 12.388 -1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.476 10.391 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.129 9.820 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.084 13.322 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.042 12.816 -0.618 1.00 0.00 H new ATOM 1499 N GLY A 93 1.627 10.555 -1.004 1.00 0.00 N ATOM 1500 CA GLY A 93 2.957 10.588 -0.428 1.00 0.00 C ATOM 1501 C GLY A 93 3.071 9.728 0.816 1.00 0.00 C ATOM 1502 O GLY A 93 3.728 10.110 1.785 1.00 0.00 O ATOM 0 H GLY A 93 1.436 9.746 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.679 10.247 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.217 11.617 -0.180 1.00 0.00 H new ATOM 1506 N ARG A 94 2.428 8.566 0.789 1.00 0.00 N ATOM 1507 CA ARG A 94 2.457 7.650 1.924 1.00 0.00 C ATOM 1508 C ARG A 94 3.496 6.552 1.712 1.00 0.00 C ATOM 1509 O ARG A 94 3.347 5.439 2.218 1.00 0.00 O ATOM 1510 CB ARG A 94 1.077 7.027 2.139 1.00 0.00 C ATOM 1511 CG ARG A 94 0.123 7.918 2.919 1.00 0.00 C ATOM 1512 CD ARG A 94 0.327 7.774 4.418 1.00 0.00 C ATOM 1513 NE ARG A 94 1.588 8.366 4.859 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.823 9.676 4.881 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.888 10.533 4.488 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.997 10.131 5.296 1.00 0.00 N ATOM 0 H ARG A 94 1.881 8.236 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 94 2.733 8.220 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.636 6.797 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.193 6.081 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.274 8.958 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.906 7.662 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.500 8.250 4.944 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.309 6.718 4.686 1.00 0.00 H new ATOM 0 HE ARG A 94 2.331 7.739 5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.017 10.189 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.075 11.536 4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.719 9.477 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.178 11.135 5.313 1.00 0.00 H new ATOM 1530 N LEU A 95 4.548 6.872 0.965 1.00 0.00 N ATOM 1531 CA LEU A 95 5.610 5.910 0.692 1.00 0.00 C ATOM 1532 C LEU A 95 6.786 6.110 1.644 1.00 0.00 C ATOM 1533 O LEU A 95 7.924 5.776 1.317 1.00 0.00 O ATOM 1534 CB LEU A 95 6.082 6.037 -0.758 1.00 0.00 C ATOM 1535 CG LEU A 95 5.195 5.341 -1.791 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.575 5.771 -3.199 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.296 3.829 -1.648 1.00 0.00 C ATOM 0 H LEU A 95 4.688 7.788 0.539 1.00 0.00 H new ATOM 0 HA LEU A 95 5.208 4.909 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.147 7.095 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.090 5.629 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 95 4.161 5.636 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.933 5.265 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.450 6.849 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.615 5.507 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.658 3.350 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.329 3.517 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.973 3.536 -0.649 1.00 0.00 H new ATOM 1549 N THR A 96 6.499 6.652 2.824 1.00 0.00 N ATOM 1550 CA THR A 96 7.530 6.891 3.828 1.00 0.00 C ATOM 1551 C THR A 96 7.326 5.976 5.028 1.00 0.00 C ATOM 1552 O THR A 96 8.288 5.474 5.612 1.00 0.00 O ATOM 1553 CB THR A 96 7.507 8.353 4.276 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.451 8.581 5.193 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.340 9.329 3.131 1.00 0.00 C ATOM 0 H THR A 96 5.561 6.934 3.108 1.00 0.00 H new ATOM 0 HA THR A 96 8.501 6.674 3.382 1.00 0.00 H new ATOM 0 HB THR A 96 8.478 8.527 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.772 8.428 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.332 10.347 3.519 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.168 9.214 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.400 9.129 2.617 1.00 0.00 H new ATOM 1563 N ASN A 97 6.066 5.760 5.387 1.00 0.00 N ATOM 1564 CA ASN A 97 5.724 4.900 6.512 1.00 0.00 C ATOM 1565 C ASN A 97 4.702 3.847 6.096 1.00 0.00 C ATOM 1566 O ASN A 97 3.926 3.361 6.917 1.00 0.00 O ATOM 1567 CB ASN A 97 5.171 5.735 7.670 1.00 0.00 C ATOM 1568 CG ASN A 97 6.217 6.651 8.273 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.387 7.828 7.679 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.865 6.308 9.261 1.00 0.00 N flip ATOM 0 H ASN A 97 5.262 6.171 4.913 1.00 0.00 H new ATOM 0 HA ASN A 97 6.631 4.393 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.331 6.332 7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.786 5.070 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.702 5.395 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.565 6.937 9.655 1.00 0.00 H new ATOM 1577 N THR A 98 4.707 3.501 4.808 1.00 0.00 N ATOM 1578 CA THR A 98 3.777 2.507 4.277 1.00 0.00 C ATOM 1579 C THR A 98 3.711 1.251 5.156 1.00 0.00 C ATOM 1580 O THR A 98 2.619 0.782 5.477 1.00 0.00 O ATOM 1581 CB THR A 98 4.129 2.132 2.827 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.585 0.868 2.490 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.615 2.080 2.533 1.00 0.00 C ATOM 0 H THR A 98 5.344 3.894 4.115 1.00 0.00 H new ATOM 0 HA THR A 98 2.788 2.966 4.284 1.00 0.00 H new ATOM 0 HB THR A 98 3.697 2.934 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.245 0.168 2.675 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.770 1.808 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.058 3.058 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.087 1.337 3.175 1.00 0.00 H new ATOM 1591 N PRO A 99 4.863 0.681 5.568 1.00 0.00 N ATOM 1592 CA PRO A 99 4.878 -0.519 6.412 1.00 0.00 C ATOM 1593 C PRO A 99 4.026 -0.347 7.664 1.00 0.00 C ATOM 1594 O PRO A 99 3.482 -1.316 8.194 1.00 0.00 O ATOM 1595 CB PRO A 99 6.357 -0.696 6.787 1.00 0.00 C ATOM 1596 CG PRO A 99 7.020 0.586 6.409 1.00 0.00 C ATOM 1597 CD PRO A 99 6.227 1.137 5.262 1.00 0.00 C ATOM 0 HA PRO A 99 4.461 -1.382 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.470 -0.897 7.852 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.799 -1.538 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.030 1.283 7.247 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.058 0.419 6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.289 2.224 5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.578 0.752 4.304 1.00 0.00 H new ATOM 1605 N ALA A 100 3.908 0.892 8.128 1.00 0.00 N ATOM 1606 CA ALA A 100 3.116 1.190 9.313 1.00 0.00 C ATOM 1607 C ALA A 100 1.626 1.111 8.999 1.00 0.00 C ATOM 1608 O ALA A 100 0.823 0.714 9.844 1.00 0.00 O ATOM 1609 CB ALA A 100 3.471 2.566 9.856 1.00 0.00 C ATOM 0 H ALA A 100 4.351 1.705 7.701 1.00 0.00 H new ATOM 0 HA ALA A 100 3.346 0.445 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.870 2.774 10.742 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.528 2.591 10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.269 3.320 9.096 1.00 0.00 H new ATOM 1615 N VAL A 101 1.266 1.486 7.776 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.125 1.453 7.344 1.00 0.00 C ATOM 1617 C VAL A 101 -0.615 0.017 7.198 1.00 0.00 C ATOM 1618 O VAL A 101 -1.800 -0.266 7.373 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.316 2.188 6.004 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.793 2.285 5.652 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.319 3.570 6.059 1.00 0.00 C ATOM 0 H VAL A 101 1.920 1.817 7.066 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.709 1.960 8.112 1.00 0.00 H new ATOM 0 HB VAL A 101 0.182 1.615 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.907 2.807 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.214 1.283 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.318 2.834 6.434 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.175 4.075 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.148 4.154 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.386 3.472 6.260 1.00 0.00 H new ATOM 1631 N ILE A 102 0.306 -0.888 6.878 1.00 0.00 N ATOM 1632 CA ILE A 102 -0.032 -2.296 6.713 1.00 0.00 C ATOM 1633 C ILE A 102 -0.330 -2.946 8.059 1.00 0.00 C ATOM 1634 O ILE A 102 -1.141 -3.867 8.149 1.00 0.00 O ATOM 1635 CB ILE A 102 1.105 -3.071 6.020 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.557 -2.338 4.755 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.656 -4.486 5.687 1.00 0.00 C ATOM 1638 CD1 ILE A 102 2.818 -2.909 4.145 1.00 0.00 C ATOM 0 H ILE A 102 1.291 -0.670 6.728 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.922 -2.338 6.085 1.00 0.00 H new ATOM 0 HB ILE A 102 1.952 -3.131 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.756 -2.376 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.721 -1.287 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.470 -5.021 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.380 -5.006 6.605 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.205 -4.447 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.080 -2.341 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.632 -2.846 4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.652 -3.952 3.876 1.00 0.00 H new ATOM 1650 N SER A 103 0.330 -2.457 9.106 1.00 0.00 N ATOM 1651 CA SER A 103 0.132 -2.989 10.450 1.00 0.00 C ATOM 1652 C SER A 103 -1.337 -2.913 10.844 1.00 0.00 C ATOM 1653 O SER A 103 -1.910 -3.888 11.333 1.00 0.00 O ATOM 1654 CB SER A 103 0.985 -2.218 11.460 1.00 0.00 C ATOM 1655 OG SER A 103 1.124 -2.944 12.669 1.00 0.00 O ATOM 0 H SER A 103 1.005 -1.695 9.049 1.00 0.00 H new ATOM 0 HA SER A 103 0.441 -4.034 10.453 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.969 -2.022 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.527 -1.250 11.664 1.00 0.00 H new ATOM 0 HG SER A 103 1.674 -2.431 13.297 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.947 -1.755 10.615 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.355 -1.560 10.935 1.00 0.00 C ATOM 1663 C ALA A 104 -4.214 -2.570 10.184 1.00 0.00 C ATOM 1664 O ALA A 104 -5.259 -3.001 10.672 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.781 -0.139 10.599 1.00 0.00 C ATOM 0 H ALA A 104 -1.489 -0.939 10.210 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.495 -1.718 12.004 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.835 -0.008 10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.184 0.566 11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.630 0.044 9.535 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.757 -2.950 8.995 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.468 -3.919 8.171 1.00 0.00 C ATOM 1673 C PHE A 105 -4.619 -5.244 8.906 1.00 0.00 C ATOM 1674 O PHE A 105 -5.571 -5.989 8.674 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.717 -4.145 6.856 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.606 -4.494 5.696 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.978 -5.807 5.451 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.062 -3.504 4.841 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.788 -6.124 4.379 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.871 -3.816 3.768 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.235 -5.128 3.538 1.00 0.00 C ATOM 0 H PHE A 105 -2.894 -2.599 8.580 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.460 -3.521 7.957 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.155 -3.244 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.991 -4.945 6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.630 -6.591 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.781 -2.476 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.071 -7.151 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.219 -3.035 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.870 -5.373 2.699 1.00 0.00 H new ATOM 1691 N SER A 106 -3.664 -5.539 9.784 1.00 0.00 N ATOM 1692 CA SER A 106 -3.687 -6.786 10.540 1.00 0.00 C ATOM 1693 C SER A 106 -4.600 -6.696 11.758 1.00 0.00 C ATOM 1694 O SER A 106 -5.020 -7.719 12.298 1.00 0.00 O ATOM 1695 CB SER A 106 -2.272 -7.175 10.970 1.00 0.00 C ATOM 1696 OG SER A 106 -2.260 -8.450 11.591 1.00 0.00 O ATOM 0 H SER A 106 -2.868 -4.934 9.988 1.00 0.00 H new ATOM 0 HA SER A 106 -4.088 -7.558 9.883 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.614 -7.184 10.101 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.880 -6.427 11.659 1.00 0.00 H new ATOM 0 HG SER A 106 -3.169 -8.686 11.871 1.00 0.00 H new ATOM 1702 N THR A 107 -4.921 -5.481 12.181 1.00 0.00 N ATOM 1703 CA THR A 107 -5.803 -5.295 13.325 1.00 0.00 C ATOM 1704 C THR A 107 -7.218 -5.012 12.856 1.00 0.00 C ATOM 1705 O THR A 107 -8.188 -5.371 13.523 1.00 0.00 O ATOM 1706 CB THR A 107 -5.299 -4.161 14.219 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.886 -4.077 14.175 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.704 -4.318 15.670 1.00 0.00 C ATOM 0 H THR A 107 -4.588 -4.617 11.754 1.00 0.00 H new ATOM 0 HA THR A 107 -5.806 -6.214 13.911 1.00 0.00 H new ATOM 0 HB THR A 107 -5.761 -3.256 13.825 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.584 -3.345 14.752 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.315 -3.481 16.249 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.791 -4.336 15.744 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.298 -5.250 16.062 1.00 0.00 H new ATOM 1716 N MET A 108 -7.335 -4.387 11.692 1.00 0.00 N ATOM 1717 CA MET A 108 -8.636 -4.088 11.128 1.00 0.00 C ATOM 1718 C MET A 108 -9.196 -5.320 10.435 1.00 0.00 C ATOM 1719 O MET A 108 -10.408 -5.449 10.267 1.00 0.00 O ATOM 1720 CB MET A 108 -8.541 -2.924 10.148 1.00 0.00 C ATOM 1721 CG MET A 108 -8.023 -1.642 10.778 1.00 0.00 C ATOM 1722 SD MET A 108 -9.129 -0.995 12.048 1.00 0.00 S ATOM 1723 CE MET A 108 -8.253 0.489 12.536 1.00 0.00 C ATOM 0 H MET A 108 -6.545 -4.080 11.125 1.00 0.00 H new ATOM 0 HA MET A 108 -9.309 -3.800 11.935 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.885 -3.206 9.324 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.526 -2.737 9.721 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.042 -1.828 11.216 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.888 -0.889 10.002 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.813 1.002 13.318 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.266 0.221 12.913 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.146 1.148 11.675 1.00 0.00 H new ATOM 1733 N MET A 109 -8.310 -6.240 10.046 1.00 0.00 N ATOM 1734 CA MET A 109 -8.748 -7.460 9.394 1.00 0.00 C ATOM 1735 C MET A 109 -9.587 -8.284 10.359 1.00 0.00 C ATOM 1736 O MET A 109 -10.562 -8.923 9.962 1.00 0.00 O ATOM 1737 CB MET A 109 -7.552 -8.285 8.919 1.00 0.00 C ATOM 1738 CG MET A 109 -6.515 -8.520 9.998 1.00 0.00 C ATOM 1739 SD MET A 109 -5.371 -9.852 9.587 1.00 0.00 S ATOM 1740 CE MET A 109 -5.502 -10.875 11.051 1.00 0.00 C ATOM 0 H MET A 109 -7.301 -6.159 10.172 1.00 0.00 H new ATOM 0 HA MET A 109 -9.347 -7.189 8.525 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.907 -9.248 8.552 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.081 -7.777 8.078 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.952 -7.601 10.161 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.019 -8.756 10.935 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.850 -11.743 10.948 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.203 -10.298 11.926 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.533 -11.208 11.171 1.00 0.00 H new ATOM 1750 N SER A 110 -9.208 -8.253 11.638 1.00 0.00 N ATOM 1751 CA SER A 110 -9.940 -8.991 12.661 1.00 0.00 C ATOM 1752 C SER A 110 -11.415 -8.601 12.653 1.00 0.00 C ATOM 1753 O SER A 110 -12.274 -9.361 13.099 1.00 0.00 O ATOM 1754 CB SER A 110 -9.337 -8.726 14.042 1.00 0.00 C ATOM 1755 OG SER A 110 -9.678 -7.431 14.507 1.00 0.00 O ATOM 0 H SER A 110 -8.405 -7.729 11.985 1.00 0.00 H new ATOM 0 HA SER A 110 -9.859 -10.055 12.438 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.694 -9.475 14.748 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.253 -8.825 13.994 1.00 0.00 H new ATOM 0 HG SER A 110 -9.127 -6.763 14.048 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.701 -7.406 12.137 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.067 -6.908 12.063 1.00 0.00 C ATOM 1763 C VAL A 111 -13.832 -7.568 10.916 1.00 0.00 C ATOM 1764 O VAL A 111 -14.995 -7.941 11.071 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.087 -5.372 11.892 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.498 -4.869 11.619 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.506 -4.696 13.125 1.00 0.00 C ATOM 0 H VAL A 111 -11.000 -6.766 11.764 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.559 -7.163 13.002 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.469 -5.118 11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.482 -3.785 11.503 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.877 -5.326 10.705 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.147 -5.135 12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.526 -3.615 12.991 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.098 -4.964 14.000 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.477 -5.024 13.269 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.177 -7.716 9.766 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.810 -8.337 8.606 1.00 0.00 C ATOM 1779 C HIS A 112 -13.888 -9.852 8.782 1.00 0.00 C ATOM 1780 O HIS A 112 -14.801 -10.501 8.272 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.052 -7.986 7.318 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.806 -8.791 7.096 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.548 -8.242 7.119 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.630 -10.110 6.856 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.650 -9.189 6.910 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.283 -10.332 6.749 1.00 0.00 N ATOM 0 H HIS A 112 -12.214 -7.416 9.614 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.824 -7.946 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.719 -8.128 6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.788 -6.929 7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.409 -10.852 6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.580 -9.049 6.877 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.842 -11.235 6.573 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.923 -10.406 9.511 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.882 -11.841 9.758 1.00 0.00 C ATOM 1797 C ARG A 113 -13.833 -12.226 10.886 1.00 0.00 C ATOM 1798 O ARG A 113 -14.362 -13.337 10.913 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.456 -12.279 10.105 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.170 -13.733 9.773 1.00 0.00 C ATOM 1801 CD ARG A 113 -9.828 -14.178 10.334 1.00 0.00 C ATOM 1802 NE ARG A 113 -9.974 -14.884 11.605 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.948 -15.256 12.369 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.703 -14.990 11.994 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.169 -15.893 13.509 1.00 0.00 N ATOM 0 H ARG A 113 -12.160 -9.882 9.940 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.201 -12.351 8.849 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.749 -11.646 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.284 -12.117 11.169 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.962 -14.363 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.177 -13.869 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.331 -14.827 9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.187 -13.308 10.474 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.917 -15.105 11.926 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.528 -14.499 11.117 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.921 -15.277 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.124 -16.098 13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.384 -16.178 14.094 1.00 0.00 H new