USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 590 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 61 ASN : amide:sc= 0.183 X(o=0.18,f=0.051) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc=0.000169 USER MOD Set 2.1: A 36 THR OG1 : rot 17:sc= 0.014 USER MOD Set 2.2: A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 25 MET CE :methyl -149:sc= -0.27 (180deg=-0.963) USER MOD Single : A 27 ASN : amide:sc= -0.707 K(o=-0.71,f=-0.099) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.06) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.0313 (180deg=-0.286) USER MOD Single : A 45 SER OG : rot 170:sc= 0.374 USER MOD Single : A 52 SER OG : rot 37:sc= 0.609 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 30:sc= 0.0702 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0658) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 166:sc= -2.98! USER MOD Single : A 70 TYR OH : rot 180:sc= -3.99! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -57:sc= 0.152 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.969 K(o=-0.97,f=-2) USER MOD Single : A 92 SER OG : rot -110:sc= -0.428 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00922 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.430 -7.919 6.462 1.00 0.00 N ATOM 179 CA SER A 15 -5.932 -6.595 6.810 1.00 0.00 C ATOM 180 C SER A 15 -4.817 -5.557 6.743 1.00 0.00 C ATOM 181 O SER A 15 -3.780 -5.701 7.389 1.00 0.00 O ATOM 182 CB SER A 15 -6.545 -6.612 8.211 1.00 0.00 C ATOM 183 OG SER A 15 -7.914 -6.976 8.165 1.00 0.00 O ATOM 0 HA SER A 15 -6.701 -6.323 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.000 -7.315 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.442 -5.628 8.668 1.00 0.00 H new ATOM 0 HG SER A 15 -8.282 -6.981 9.073 1.00 0.00 H new ATOM 189 N ALA A 16 -5.039 -4.509 5.955 1.00 0.00 N ATOM 190 CA ALA A 16 -4.055 -3.445 5.804 1.00 0.00 C ATOM 191 C ALA A 16 -4.466 -2.202 6.584 1.00 0.00 C ATOM 192 O ALA A 16 -5.647 -1.857 6.645 1.00 0.00 O ATOM 193 CB ALA A 16 -3.864 -3.107 4.332 1.00 0.00 C ATOM 0 H ALA A 16 -5.892 -4.375 5.412 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.108 -3.800 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.126 -2.311 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.516 -3.991 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.813 -2.777 3.908 1.00 0.00 H new ATOM 199 N TYR A 17 -3.487 -1.532 7.182 1.00 0.00 N ATOM 200 CA TYR A 17 -3.748 -0.329 7.962 1.00 0.00 C ATOM 201 C TYR A 17 -2.505 0.553 8.036 1.00 0.00 C ATOM 202 O TYR A 17 -1.382 0.057 8.119 1.00 0.00 O ATOM 203 CB TYR A 17 -4.208 -0.700 9.372 1.00 0.00 C ATOM 204 CG TYR A 17 -3.100 -1.237 10.249 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.755 -2.583 10.221 1.00 0.00 C ATOM 206 CD2 TYR A 17 -2.397 -0.398 11.106 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.744 -3.078 11.021 1.00 0.00 C ATOM 208 CE2 TYR A 17 -1.383 -0.885 11.908 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.060 -2.225 11.863 1.00 0.00 C ATOM 210 OH TYR A 17 -0.051 -2.714 12.660 1.00 0.00 O ATOM 0 H TYR A 17 -2.504 -1.802 7.141 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.540 0.231 7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.642 0.180 9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.999 -1.447 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.287 -3.253 9.562 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.648 0.652 11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.490 -4.127 10.988 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.846 -0.219 12.567 1.00 0.00 H new ATOM 0 HH TYR A 17 0.329 -1.984 13.192 1.00 0.00 H new ATOM 220 N GLY A 18 -2.716 1.866 8.005 1.00 0.00 N ATOM 221 CA GLY A 18 -1.605 2.797 8.070 1.00 0.00 C ATOM 222 C GLY A 18 -1.972 4.174 7.553 1.00 0.00 C ATOM 223 O GLY A 18 -3.049 4.384 6.995 1.00 0.00 O ATOM 0 H GLY A 18 -3.636 2.301 7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.263 2.879 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.771 2.404 7.488 1.00 0.00 H new ATOM 227 N PRO A 19 -1.062 5.142 7.738 1.00 0.00 N ATOM 228 CA PRO A 19 -1.273 6.522 7.294 1.00 0.00 C ATOM 229 C PRO A 19 -1.247 6.653 5.775 1.00 0.00 C ATOM 230 O PRO A 19 -2.079 7.343 5.187 1.00 0.00 O ATOM 231 CB PRO A 19 -0.097 7.279 7.916 1.00 0.00 C ATOM 232 CG PRO A 19 0.964 6.249 8.097 1.00 0.00 C ATOM 233 CD PRO A 19 0.244 4.962 8.395 1.00 0.00 C ATOM 0 HA PRO A 19 -2.249 6.902 7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.242 8.086 7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.376 7.731 8.868 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.575 6.156 7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.635 6.519 8.912 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.779 4.100 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.136 4.801 9.468 1.00 0.00 H new ATOM 241 N GLY A 20 -0.285 5.986 5.144 1.00 0.00 N ATOM 242 CA GLY A 20 -0.169 6.041 3.699 1.00 0.00 C ATOM 243 C GLY A 20 -1.374 5.446 2.997 1.00 0.00 C ATOM 244 O GLY A 20 -1.633 5.745 1.831 1.00 0.00 O ATOM 0 H GLY A 20 0.416 5.409 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.046 7.078 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.729 5.506 3.389 1.00 0.00 H new ATOM 248 N LEU A 21 -2.112 4.601 3.708 1.00 0.00 N ATOM 249 CA LEU A 21 -3.296 3.960 3.146 1.00 0.00 C ATOM 250 C LEU A 21 -4.507 4.885 3.229 1.00 0.00 C ATOM 251 O LEU A 21 -5.397 4.836 2.380 1.00 0.00 O ATOM 252 CB LEU A 21 -3.589 2.651 3.880 1.00 0.00 C ATOM 253 CG LEU A 21 -2.568 1.530 3.687 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.931 0.324 4.539 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.475 1.140 2.219 1.00 0.00 C ATOM 0 H LEU A 21 -1.912 4.344 4.674 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.098 3.744 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.666 2.865 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.564 2.287 3.556 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.592 1.895 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.193 -0.464 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.945 0.612 5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.916 -0.042 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.743 0.341 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.449 0.795 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.166 2.005 1.632 1.00 0.00 H new ATOM 267 N SER A 22 -4.531 5.729 4.255 1.00 0.00 N ATOM 268 CA SER A 22 -5.632 6.665 4.450 1.00 0.00 C ATOM 269 C SER A 22 -5.422 7.931 3.625 1.00 0.00 C ATOM 270 O SER A 22 -6.356 8.451 3.014 1.00 0.00 O ATOM 271 CB SER A 22 -5.769 7.023 5.931 1.00 0.00 C ATOM 272 OG SER A 22 -7.056 7.545 6.212 1.00 0.00 O ATOM 0 H SER A 22 -3.800 5.784 4.965 1.00 0.00 H new ATOM 0 HA SER A 22 -6.550 6.183 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.591 6.137 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.009 7.755 6.203 1.00 0.00 H new ATOM 0 HG SER A 22 -7.119 7.765 7.165 1.00 0.00 H new ATOM 278 N HIS A 23 -4.187 8.423 3.613 1.00 0.00 N ATOM 279 CA HIS A 23 -3.852 9.629 2.864 1.00 0.00 C ATOM 280 C HIS A 23 -2.341 9.840 2.821 1.00 0.00 C ATOM 281 O HIS A 23 -1.575 9.017 3.321 1.00 0.00 O ATOM 282 CB HIS A 23 -4.531 10.848 3.488 1.00 0.00 C ATOM 283 CG HIS A 23 -4.065 11.147 4.880 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.563 10.505 5.994 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.138 12.023 5.335 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.965 10.975 7.074 1.00 0.00 C ATOM 287 NE2 HIS A 23 -3.095 11.897 6.701 1.00 0.00 N ATOM 0 H HIS A 23 -3.402 8.005 4.113 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.213 9.505 1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.347 11.718 2.858 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.609 10.686 3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.543 12.696 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.155 10.659 8.089 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.490 12.429 7.327 1.00 0.00 H new ATOM 296 N GLY A 24 -1.920 10.948 2.219 1.00 0.00 N ATOM 297 CA GLY A 24 -0.503 11.246 2.121 1.00 0.00 C ATOM 298 C GLY A 24 -0.232 12.531 1.365 1.00 0.00 C ATOM 299 O GLY A 24 -1.144 13.320 1.122 1.00 0.00 O ATOM 0 H GLY A 24 -2.535 11.644 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.081 11.322 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.005 10.421 1.622 1.00 0.00 H new ATOM 303 N MET A 25 1.027 12.743 0.994 1.00 0.00 N ATOM 304 CA MET A 25 1.415 13.943 0.261 1.00 0.00 C ATOM 305 C MET A 25 2.427 13.609 -0.830 1.00 0.00 C ATOM 306 O MET A 25 3.137 12.607 -0.747 1.00 0.00 O ATOM 307 CB MET A 25 2.002 14.983 1.217 1.00 0.00 C ATOM 308 CG MET A 25 1.016 15.470 2.266 1.00 0.00 C ATOM 309 SD MET A 25 1.824 15.989 3.792 1.00 0.00 S ATOM 310 CE MET A 25 2.528 14.439 4.347 1.00 0.00 C ATOM 0 H MET A 25 1.795 12.100 1.189 1.00 0.00 H new ATOM 0 HA MET A 25 0.523 14.356 -0.210 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.870 14.555 1.718 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.356 15.837 0.639 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.443 16.304 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.306 14.674 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.563 14.425 5.436 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.912 13.612 3.993 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.538 14.335 3.950 1.00 0.00 H new ATOM 320 N VAL A 26 2.489 14.456 -1.853 1.00 0.00 N ATOM 321 CA VAL A 26 3.415 14.252 -2.960 1.00 0.00 C ATOM 322 C VAL A 26 4.861 14.257 -2.476 1.00 0.00 C ATOM 323 O VAL A 26 5.206 14.964 -1.530 1.00 0.00 O ATOM 324 CB VAL A 26 3.243 15.334 -4.043 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.256 15.136 -5.161 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.824 15.320 -4.589 1.00 0.00 C ATOM 0 H VAL A 26 1.908 15.290 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 26 3.183 13.278 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 26 3.424 16.309 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.119 15.909 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.265 15.201 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.110 14.156 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.720 16.091 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.612 14.344 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.121 15.515 -3.779 1.00 0.00 H new ATOM 336 N ASN A 27 5.702 13.465 -3.132 1.00 0.00 N ATOM 337 CA ASN A 27 7.112 13.378 -2.769 1.00 0.00 C ATOM 338 C ASN A 27 7.276 12.833 -1.353 1.00 0.00 C ATOM 339 O ASN A 27 8.212 13.195 -0.641 1.00 0.00 O ATOM 340 CB ASN A 27 7.773 14.754 -2.877 1.00 0.00 C ATOM 341 CG ASN A 27 8.285 15.041 -4.275 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.279 14.464 -4.715 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.606 15.937 -4.981 1.00 0.00 N ATOM 0 H ASN A 27 5.432 12.874 -3.918 1.00 0.00 H new ATOM 0 HA ASN A 27 7.599 12.692 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.055 15.523 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.601 14.813 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.903 16.171 -5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.787 16.391 -4.576 1.00 0.00 H new ATOM 350 N LYS A 28 6.359 11.958 -0.953 1.00 0.00 N ATOM 351 CA LYS A 28 6.402 11.360 0.376 1.00 0.00 C ATOM 352 C LYS A 28 6.027 9.882 0.320 1.00 0.00 C ATOM 353 O LYS A 28 4.947 9.508 -0.138 1.00 0.00 O ATOM 354 CB LYS A 28 5.455 12.101 1.323 1.00 0.00 C ATOM 355 CG LYS A 28 5.715 13.596 1.395 1.00 0.00 C ATOM 356 CD LYS A 28 6.821 13.922 2.384 1.00 0.00 C ATOM 357 CE LYS A 28 7.462 15.267 2.079 1.00 0.00 C ATOM 358 NZ LYS A 28 8.583 15.140 1.107 1.00 0.00 N ATOM 0 H LYS A 28 5.577 11.648 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 28 7.422 11.445 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.427 11.934 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.548 11.676 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.988 13.967 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.800 14.112 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.415 13.932 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.580 13.140 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.709 15.945 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.831 15.711 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.758 16.061 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.441 14.829 1.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.333 14.441 0.379 1.00 0.00 H new ATOM 372 N PRO A 29 6.938 9.021 0.797 1.00 0.00 N ATOM 373 CA PRO A 29 6.724 7.571 0.814 1.00 0.00 C ATOM 374 C PRO A 29 5.658 7.153 1.821 1.00 0.00 C ATOM 375 O PRO A 29 5.913 7.102 3.023 1.00 0.00 O ATOM 376 CB PRO A 29 8.091 7.015 1.221 1.00 0.00 C ATOM 377 CG PRO A 29 8.737 8.120 1.983 1.00 0.00 C ATOM 378 CD PRO A 29 8.246 9.397 1.358 1.00 0.00 C ATOM 0 HA PRO A 29 6.367 7.201 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.988 6.119 1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.682 6.738 0.348 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.470 8.074 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.823 8.050 1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.153 10.195 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.927 9.754 0.585 1.00 0.00 H new ATOM 386 N ALA A 30 4.463 6.855 1.321 1.00 0.00 N ATOM 387 CA ALA A 30 3.359 6.440 2.177 1.00 0.00 C ATOM 388 C ALA A 30 3.618 5.062 2.778 1.00 0.00 C ATOM 389 O ALA A 30 3.462 4.041 2.107 1.00 0.00 O ATOM 390 CB ALA A 30 2.055 6.440 1.394 1.00 0.00 C ATOM 0 H ALA A 30 4.235 6.893 0.328 1.00 0.00 H new ATOM 0 HA ALA A 30 3.278 7.155 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.239 6.128 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.856 7.444 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.134 5.748 0.555 1.00 0.00 H new ATOM 396 N THR A 31 4.016 5.040 4.046 1.00 0.00 N ATOM 397 CA THR A 31 4.299 3.788 4.736 1.00 0.00 C ATOM 398 C THR A 31 3.058 3.257 5.444 1.00 0.00 C ATOM 399 O THR A 31 2.311 4.016 6.062 1.00 0.00 O ATOM 400 CB THR A 31 5.430 3.958 5.768 1.00 0.00 C ATOM 401 OG1 THR A 31 4.963 4.721 6.886 1.00 0.00 O ATOM 402 CG2 THR A 31 6.633 4.650 5.143 1.00 0.00 C ATOM 0 H THR A 31 4.150 5.875 4.616 1.00 0.00 H new ATOM 0 HA THR A 31 4.614 3.073 3.976 1.00 0.00 H new ATOM 0 HB THR A 31 5.735 2.968 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.687 4.823 7.538 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.419 4.759 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.004 4.053 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.338 5.635 4.780 1.00 0.00 H new ATOM 410 N PHE A 32 2.842 1.949 5.349 1.00 0.00 N ATOM 411 CA PHE A 32 1.690 1.317 5.981 1.00 0.00 C ATOM 412 C PHE A 32 2.023 -0.105 6.422 1.00 0.00 C ATOM 413 O PHE A 32 3.086 -0.636 6.096 1.00 0.00 O ATOM 414 CB PHE A 32 0.500 1.299 5.018 1.00 0.00 C ATOM 415 CG PHE A 32 0.796 0.618 3.713 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.507 1.272 2.720 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.364 -0.678 3.478 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.780 0.648 1.517 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.634 -1.307 2.278 1.00 0.00 C ATOM 420 CZ PHE A 32 1.344 -0.644 1.297 1.00 0.00 C ATOM 0 H PHE A 32 3.450 1.306 4.841 1.00 0.00 H new ATOM 0 HA PHE A 32 1.426 1.900 6.864 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.339 0.796 5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.187 2.324 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.852 2.282 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.190 -1.202 4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.333 1.170 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.290 -2.316 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.558 -1.135 0.359 1.00 0.00 H new ATOM 430 N THR A 33 1.108 -0.718 7.166 1.00 0.00 N ATOM 431 CA THR A 33 1.304 -2.077 7.654 1.00 0.00 C ATOM 432 C THR A 33 0.315 -3.041 7.009 1.00 0.00 C ATOM 433 O THR A 33 -0.850 -2.700 6.798 1.00 0.00 O ATOM 434 CB THR A 33 1.153 -2.152 9.185 1.00 0.00 C ATOM 435 OG1 THR A 33 2.355 -1.701 9.819 1.00 0.00 O ATOM 436 CG2 THR A 33 0.842 -3.573 9.629 1.00 0.00 C ATOM 0 H THR A 33 0.223 -0.294 7.444 1.00 0.00 H new ATOM 0 HA THR A 33 2.319 -2.367 7.382 1.00 0.00 H new ATOM 0 HB THR A 33 0.325 -1.507 9.478 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.250 -1.750 10.792 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.740 -3.601 10.714 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.089 -3.903 9.168 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.652 -4.235 9.324 1.00 0.00 H new ATOM 444 N ILE A 34 0.785 -4.244 6.700 1.00 0.00 N ATOM 445 CA ILE A 34 -0.060 -5.258 6.080 1.00 0.00 C ATOM 446 C ILE A 34 -0.055 -6.549 6.892 1.00 0.00 C ATOM 447 O ILE A 34 0.965 -7.232 6.985 1.00 0.00 O ATOM 448 CB ILE A 34 0.393 -5.567 4.642 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.677 -4.269 3.883 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.663 -6.389 3.918 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.295 -4.489 2.520 1.00 0.00 C ATOM 0 H ILE A 34 1.746 -4.541 6.868 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.071 -4.852 6.053 1.00 0.00 H new ATOM 0 HB ILE A 34 1.313 -6.150 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.254 -3.715 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.345 -3.647 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.327 -6.599 2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.821 -7.327 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.598 -5.830 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.469 -3.526 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.243 -5.015 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.619 -5.084 1.906 1.00 0.00 H new ATOM 463 N VAL A 35 -1.202 -6.878 7.478 1.00 0.00 N ATOM 464 CA VAL A 35 -1.331 -8.089 8.279 1.00 0.00 C ATOM 465 C VAL A 35 -1.237 -9.337 7.409 1.00 0.00 C ATOM 466 O VAL A 35 -2.169 -9.670 6.676 1.00 0.00 O ATOM 467 CB VAL A 35 -2.664 -8.113 9.049 1.00 0.00 C ATOM 468 CG1 VAL A 35 -2.821 -9.424 9.805 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.753 -6.928 9.998 1.00 0.00 C ATOM 0 H VAL A 35 -2.055 -6.323 7.413 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.507 -8.085 8.993 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.480 -8.036 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.769 -9.422 10.343 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.806 -10.255 9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.001 -9.535 10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.702 -6.961 10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.931 -6.972 10.713 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.690 -6.001 9.429 1.00 0.00 H new ATOM 479 N THR A 36 -0.103 -10.027 7.493 1.00 0.00 N ATOM 480 CA THR A 36 0.114 -11.239 6.713 1.00 0.00 C ATOM 481 C THR A 36 0.562 -12.393 7.602 1.00 0.00 C ATOM 482 O THR A 36 1.098 -13.390 7.120 1.00 0.00 O ATOM 483 CB THR A 36 1.167 -11.016 5.611 1.00 0.00 C ATOM 484 OG1 THR A 36 2.349 -10.436 6.173 1.00 0.00 O ATOM 485 CG2 THR A 36 0.623 -10.110 4.517 1.00 0.00 C ATOM 0 H THR A 36 0.679 -9.767 8.094 1.00 0.00 H new ATOM 0 HA THR A 36 -0.840 -11.491 6.249 1.00 0.00 H new ATOM 0 HB THR A 36 1.411 -11.983 5.172 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.342 -10.556 7.146 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.385 -9.967 3.750 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.260 -10.568 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.354 -9.144 4.945 1.00 0.00 H new ATOM 493 N LYS A 37 0.338 -12.251 8.904 1.00 0.00 N ATOM 494 CA LYS A 37 0.717 -13.283 9.863 1.00 0.00 C ATOM 495 C LYS A 37 -0.092 -14.556 9.639 1.00 0.00 C ATOM 496 O LYS A 37 0.471 -15.629 9.415 1.00 0.00 O ATOM 497 CB LYS A 37 0.510 -12.779 11.293 1.00 0.00 C ATOM 498 CG LYS A 37 0.556 -13.881 12.338 1.00 0.00 C ATOM 499 CD LYS A 37 0.679 -13.312 13.742 1.00 0.00 C ATOM 500 CE LYS A 37 2.132 -13.073 14.121 1.00 0.00 C ATOM 501 NZ LYS A 37 2.874 -14.350 14.310 1.00 0.00 N ATOM 0 H LYS A 37 -0.104 -11.431 9.320 1.00 0.00 H new ATOM 0 HA LYS A 37 1.772 -13.513 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.276 -12.039 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.452 -12.271 11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.347 -14.488 12.268 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.400 -14.540 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.126 -12.375 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.224 -13.999 14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.617 -12.483 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.176 -12.488 15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.718 -14.178 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.259 -15.042 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.164 -14.723 13.384 1.00 0.00 H new ATOM 573 N LEU A 44 1.658 -12.916 -2.242 1.00 0.00 N ATOM 574 CA LEU A 44 1.083 -11.578 -2.153 1.00 0.00 C ATOM 575 C LEU A 44 1.595 -10.689 -3.282 1.00 0.00 C ATOM 576 O LEU A 44 2.685 -10.907 -3.812 1.00 0.00 O ATOM 577 CB LEU A 44 1.418 -10.946 -0.800 1.00 0.00 C ATOM 578 CG LEU A 44 0.750 -9.603 -0.503 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.646 -9.815 0.062 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.599 -8.787 0.461 1.00 0.00 C ATOM 0 HA LEU A 44 0.001 -11.668 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.140 -11.649 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.498 -10.813 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 44 0.661 -9.048 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.106 -8.848 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.253 -10.359 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.581 -10.390 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.108 -7.834 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.719 -9.336 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.578 -8.605 0.019 1.00 0.00 H new ATOM 592 N SER A 45 0.801 -9.686 -3.645 1.00 0.00 N ATOM 593 CA SER A 45 1.173 -8.765 -4.713 1.00 0.00 C ATOM 594 C SER A 45 0.970 -7.318 -4.276 1.00 0.00 C ATOM 595 O SER A 45 0.055 -7.010 -3.511 1.00 0.00 O ATOM 596 CB SER A 45 0.350 -9.050 -5.971 1.00 0.00 C ATOM 597 OG SER A 45 -0.988 -8.610 -5.815 1.00 0.00 O ATOM 0 H SER A 45 -0.103 -9.491 -3.215 1.00 0.00 H new ATOM 0 HA SER A 45 2.229 -8.914 -4.937 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.803 -8.550 -6.827 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.362 -10.119 -6.183 1.00 0.00 H new ATOM 0 HG SER A 45 -1.450 -8.654 -6.678 1.00 0.00 H new ATOM 603 N LEU A 46 1.831 -6.432 -4.768 1.00 0.00 N ATOM 604 CA LEU A 46 1.748 -5.016 -4.429 1.00 0.00 C ATOM 605 C LEU A 46 1.799 -4.152 -5.686 1.00 0.00 C ATOM 606 O LEU A 46 2.712 -4.279 -6.501 1.00 0.00 O ATOM 607 CB LEU A 46 2.886 -4.629 -3.484 1.00 0.00 C ATOM 608 CG LEU A 46 2.756 -5.118 -2.041 1.00 0.00 C ATOM 609 CD1 LEU A 46 4.127 -5.244 -1.394 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.870 -4.178 -1.238 1.00 0.00 C ATOM 0 H LEU A 46 2.594 -6.670 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 46 0.795 -4.843 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.819 -5.015 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.968 -3.542 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 46 2.291 -6.104 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.014 -5.593 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.730 -5.957 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.620 -4.272 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.788 -4.541 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.307 -3.180 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.878 -4.139 -1.689 1.00 0.00 H new ATOM 622 N ALA A 47 0.813 -3.273 -5.834 1.00 0.00 N ATOM 623 CA ALA A 47 0.749 -2.385 -6.988 1.00 0.00 C ATOM 624 C ALA A 47 -0.082 -1.144 -6.680 1.00 0.00 C ATOM 625 O ALA A 47 -0.884 -1.138 -5.746 1.00 0.00 O ATOM 626 CB ALA A 47 0.175 -3.122 -8.189 1.00 0.00 C ATOM 0 H ALA A 47 0.048 -3.157 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 47 1.763 -2.062 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.133 -2.447 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.810 -3.974 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.830 -3.473 -7.954 1.00 0.00 H new ATOM 632 N VAL A 48 0.115 -0.094 -7.471 1.00 0.00 N ATOM 633 CA VAL A 48 -0.616 1.153 -7.283 1.00 0.00 C ATOM 634 C VAL A 48 -1.100 1.713 -8.616 1.00 0.00 C ATOM 635 O VAL A 48 -0.426 1.580 -9.637 1.00 0.00 O ATOM 636 CB VAL A 48 0.252 2.212 -6.579 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.486 3.540 -6.498 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.658 1.733 -5.193 1.00 0.00 C ATOM 0 H VAL A 48 0.775 -0.082 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.477 0.923 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 48 1.158 2.362 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.143 4.276 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.721 3.888 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.410 3.409 -5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.271 2.494 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.235 1.553 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.229 0.809 -5.280 1.00 0.00 H new ATOM 648 N GLU A 49 -2.272 2.339 -8.598 1.00 0.00 N ATOM 649 CA GLU A 49 -2.847 2.919 -9.807 1.00 0.00 C ATOM 650 C GLU A 49 -3.475 4.278 -9.512 1.00 0.00 C ATOM 651 O GLU A 49 -4.435 4.378 -8.750 1.00 0.00 O ATOM 652 CB GLU A 49 -3.896 1.978 -10.402 1.00 0.00 C ATOM 653 CG GLU A 49 -3.302 0.844 -11.221 1.00 0.00 C ATOM 654 CD GLU A 49 -2.922 1.276 -12.624 1.00 0.00 C ATOM 655 OE1 GLU A 49 -2.009 2.117 -12.759 1.00 0.00 O ATOM 656 OE2 GLU A 49 -3.537 0.773 -13.587 1.00 0.00 O ATOM 0 H GLU A 49 -2.842 2.458 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.044 3.058 -10.530 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.494 1.557 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.573 2.554 -11.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.419 0.457 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.021 0.027 -11.278 1.00 0.00 H new ATOM 663 N GLY A 50 -2.925 5.323 -10.124 1.00 0.00 N ATOM 664 CA GLY A 50 -3.443 6.662 -9.915 1.00 0.00 C ATOM 665 C GLY A 50 -3.027 7.623 -11.011 1.00 0.00 C ATOM 666 O GLY A 50 -2.744 7.224 -12.141 1.00 0.00 O ATOM 0 H GLY A 50 -2.130 5.266 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.531 6.623 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.092 7.038 -8.954 1.00 0.00 H new ATOM 670 N PRO A 51 -2.986 8.922 -10.680 1.00 0.00 N ATOM 671 CA PRO A 51 -2.603 9.969 -11.632 1.00 0.00 C ATOM 672 C PRO A 51 -1.122 9.914 -11.990 1.00 0.00 C ATOM 673 O PRO A 51 -0.649 10.675 -12.833 1.00 0.00 O ATOM 674 CB PRO A 51 -2.923 11.265 -10.881 1.00 0.00 C ATOM 675 CG PRO A 51 -2.846 10.896 -9.440 1.00 0.00 C ATOM 676 CD PRO A 51 -3.310 9.469 -9.352 1.00 0.00 C ATOM 0 HA PRO A 51 -3.129 9.868 -12.581 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.210 12.052 -11.127 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.913 11.640 -11.142 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.828 10.999 -9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.476 11.549 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.796 8.928 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.378 9.406 -9.141 1.00 0.00 H new ATOM 684 N SER A 52 -0.396 9.006 -11.345 1.00 0.00 N ATOM 685 CA SER A 52 1.033 8.854 -11.595 1.00 0.00 C ATOM 686 C SER A 52 1.528 7.496 -11.104 1.00 0.00 C ATOM 687 O SER A 52 0.872 6.838 -10.296 1.00 0.00 O ATOM 688 CB SER A 52 1.815 9.973 -10.905 1.00 0.00 C ATOM 689 OG SER A 52 1.985 11.083 -11.770 1.00 0.00 O ATOM 0 H SER A 52 -0.773 8.365 -10.647 1.00 0.00 H new ATOM 0 HA SER A 52 1.197 8.915 -12.671 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.288 10.287 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.790 9.600 -10.591 1.00 0.00 H new ATOM 0 HG SER A 52 1.176 11.203 -12.310 1.00 0.00 H new ATOM 695 N LYS A 53 2.689 7.083 -11.599 1.00 0.00 N ATOM 696 CA LYS A 53 3.275 5.805 -11.213 1.00 0.00 C ATOM 697 C LYS A 53 4.189 5.970 -10.003 1.00 0.00 C ATOM 698 O LYS A 53 5.245 6.596 -10.091 1.00 0.00 O ATOM 699 CB LYS A 53 4.061 5.206 -12.381 1.00 0.00 C ATOM 700 CG LYS A 53 4.319 3.716 -12.241 1.00 0.00 C ATOM 701 CD LYS A 53 5.156 3.184 -13.392 1.00 0.00 C ATOM 702 CE LYS A 53 6.643 3.375 -13.135 1.00 0.00 C ATOM 703 NZ LYS A 53 7.193 2.314 -12.247 1.00 0.00 N ATOM 0 H LYS A 53 3.244 7.615 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 53 2.464 5.128 -10.945 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.514 5.386 -13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.016 5.725 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.830 3.521 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.369 3.183 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.944 2.125 -13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.876 3.695 -14.313 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.179 3.368 -14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.811 4.352 -12.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.209 2.480 -12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.699 2.336 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.056 1.384 -12.692 1.00 0.00 H new ATOM 717 N ALA A 54 3.778 5.401 -8.874 1.00 0.00 N ATOM 718 CA ALA A 54 4.562 5.482 -7.648 1.00 0.00 C ATOM 719 C ALA A 54 5.196 4.137 -7.312 1.00 0.00 C ATOM 720 O ALA A 54 4.497 3.146 -7.103 1.00 0.00 O ATOM 721 CB ALA A 54 3.691 5.960 -6.495 1.00 0.00 C ATOM 0 H ALA A 54 2.906 4.879 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 54 5.364 6.203 -7.806 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.289 6.016 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.290 6.947 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.869 5.260 -6.346 1.00 0.00 H new ATOM 727 N GLU A 55 6.524 4.110 -7.262 1.00 0.00 N ATOM 728 CA GLU A 55 7.252 2.885 -6.953 1.00 0.00 C ATOM 729 C GLU A 55 6.883 2.369 -5.565 1.00 0.00 C ATOM 730 O GLU A 55 6.724 3.147 -4.624 1.00 0.00 O ATOM 731 CB GLU A 55 8.760 3.127 -7.035 1.00 0.00 C ATOM 732 CG GLU A 55 9.299 3.138 -8.456 1.00 0.00 C ATOM 733 CD GLU A 55 9.200 4.505 -9.106 1.00 0.00 C ATOM 734 OE1 GLU A 55 9.834 5.452 -8.597 1.00 0.00 O ATOM 735 OE2 GLU A 55 8.487 4.627 -10.124 1.00 0.00 O ATOM 0 H GLU A 55 7.117 4.922 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 55 6.972 2.131 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.993 4.080 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.275 2.353 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.341 2.818 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.748 2.414 -9.056 1.00 0.00 H new ATOM 742 N ILE A 56 6.748 1.052 -5.447 1.00 0.00 N ATOM 743 CA ILE A 56 6.399 0.432 -4.175 1.00 0.00 C ATOM 744 C ILE A 56 7.492 -0.525 -3.711 1.00 0.00 C ATOM 745 O ILE A 56 7.928 -1.399 -4.461 1.00 0.00 O ATOM 746 CB ILE A 56 5.067 -0.336 -4.270 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.011 0.518 -4.975 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.589 -0.740 -2.883 1.00 0.00 C ATOM 749 CD1 ILE A 56 2.975 -0.296 -5.719 1.00 0.00 C ATOM 0 H ILE A 56 6.875 0.395 -6.216 1.00 0.00 H new ATOM 0 HA ILE A 56 6.294 1.239 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 56 5.227 -1.241 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.509 1.143 -4.237 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.507 1.189 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.647 -1.282 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.335 -1.380 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.442 0.152 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.259 0.374 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.466 -0.901 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.453 -0.948 -5.019 1.00 0.00 H new ATOM 761 N THR A 57 7.931 -0.355 -2.468 1.00 0.00 N ATOM 762 CA THR A 57 8.973 -1.204 -1.903 1.00 0.00 C ATOM 763 C THR A 57 8.408 -2.126 -0.829 1.00 0.00 C ATOM 764 O THR A 57 7.643 -1.695 0.034 1.00 0.00 O ATOM 765 CB THR A 57 10.113 -0.364 -1.295 1.00 0.00 C ATOM 766 OG1 THR A 57 10.650 0.521 -2.283 1.00 0.00 O ATOM 767 CG2 THR A 57 11.217 -1.261 -0.756 1.00 0.00 C ATOM 0 H THR A 57 7.581 0.363 -1.833 1.00 0.00 H new ATOM 0 HA THR A 57 9.370 -1.805 -2.721 1.00 0.00 H new ATOM 0 HB THR A 57 9.705 0.219 -0.470 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.373 1.052 -1.888 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.011 -0.646 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.811 -1.913 0.017 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.622 -1.867 -1.567 1.00 0.00 H new ATOM 775 N CYS A 58 8.790 -3.397 -0.888 1.00 0.00 N ATOM 776 CA CYS A 58 8.321 -4.382 0.081 1.00 0.00 C ATOM 777 C CYS A 58 9.445 -4.795 1.024 1.00 0.00 C ATOM 778 O CYS A 58 10.539 -5.152 0.586 1.00 0.00 O ATOM 779 CB CYS A 58 7.765 -5.612 -0.639 1.00 0.00 C ATOM 780 SG CYS A 58 8.946 -6.415 -1.747 1.00 0.00 S ATOM 0 H CYS A 58 9.423 -3.770 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 58 7.526 -3.925 0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.431 -6.335 0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.887 -5.317 -1.213 1.00 0.00 H new ATOM 0 HG CYS A 58 10.153 -6.238 -1.297 1.00 0.00 H new ATOM 786 N LYS A 59 9.170 -4.744 2.323 1.00 0.00 N ATOM 787 CA LYS A 59 10.158 -5.112 3.330 1.00 0.00 C ATOM 788 C LYS A 59 9.822 -6.463 3.954 1.00 0.00 C ATOM 789 O LYS A 59 8.661 -6.872 3.983 1.00 0.00 O ATOM 790 CB LYS A 59 10.230 -4.039 4.420 1.00 0.00 C ATOM 791 CG LYS A 59 11.226 -2.933 4.119 1.00 0.00 C ATOM 792 CD LYS A 59 11.205 -1.857 5.191 1.00 0.00 C ATOM 793 CE LYS A 59 11.946 -2.302 6.442 1.00 0.00 C ATOM 794 NZ LYS A 59 13.423 -2.286 6.248 1.00 0.00 N ATOM 0 H LYS A 59 8.270 -4.451 2.703 1.00 0.00 H new ATOM 0 HA LYS A 59 11.128 -5.189 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.241 -3.600 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.498 -4.511 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.228 -3.355 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.995 -2.488 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.660 -0.946 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.173 -1.615 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.682 -1.647 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.627 -3.308 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.895 -2.396 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.699 -3.069 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.707 -1.382 5.819 1.00 0.00 H new ATOM 808 N ASP A 60 10.844 -7.150 4.452 1.00 0.00 N ATOM 809 CA ASP A 60 10.656 -8.454 5.078 1.00 0.00 C ATOM 810 C ASP A 60 10.932 -8.383 6.576 1.00 0.00 C ATOM 811 O ASP A 60 12.082 -8.282 7.001 1.00 0.00 O ATOM 812 CB ASP A 60 11.572 -9.492 4.427 1.00 0.00 C ATOM 813 CG ASP A 60 11.303 -9.651 2.943 1.00 0.00 C ATOM 814 OD1 ASP A 60 10.346 -10.371 2.587 1.00 0.00 O ATOM 815 OD2 ASP A 60 12.049 -9.056 2.138 1.00 0.00 O ATOM 0 H ASP A 60 11.811 -6.826 4.435 1.00 0.00 H new ATOM 0 HA ASP A 60 9.618 -8.753 4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.611 -9.199 4.576 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.437 -10.453 4.923 1.00 0.00 H new ATOM 820 N ASN A 61 9.869 -8.434 7.372 1.00 0.00 N ATOM 821 CA ASN A 61 9.997 -8.373 8.823 1.00 0.00 C ATOM 822 C ASN A 61 10.031 -9.775 9.425 1.00 0.00 C ATOM 823 O ASN A 61 10.476 -9.966 10.557 1.00 0.00 O ATOM 824 CB ASN A 61 8.838 -7.575 9.425 1.00 0.00 C ATOM 825 CG ASN A 61 8.649 -6.231 8.749 1.00 0.00 C ATOM 826 OD1 ASN A 61 9.533 -5.375 8.787 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.492 -6.040 8.126 1.00 0.00 N ATOM 0 H ASN A 61 8.909 -8.517 7.036 1.00 0.00 H new ATOM 0 HA ASN A 61 10.936 -7.872 9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.919 -8.154 9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.020 -7.421 10.489 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.307 -5.155 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.788 -6.778 8.120 1.00 0.00 H new ATOM 834 N LYS A 62 9.558 -10.753 8.660 1.00 0.00 N ATOM 835 CA LYS A 62 9.535 -12.138 9.115 1.00 0.00 C ATOM 836 C LYS A 62 8.985 -12.235 10.535 1.00 0.00 C ATOM 837 O LYS A 62 9.340 -13.143 11.287 1.00 0.00 O ATOM 838 CB LYS A 62 10.942 -12.738 9.060 1.00 0.00 C ATOM 839 CG LYS A 62 10.954 -14.246 8.883 1.00 0.00 C ATOM 840 CD LYS A 62 10.583 -14.644 7.464 1.00 0.00 C ATOM 841 CE LYS A 62 10.638 -16.152 7.275 1.00 0.00 C ATOM 842 NZ LYS A 62 12.035 -16.640 7.108 1.00 0.00 N ATOM 0 H LYS A 62 9.185 -10.612 7.721 1.00 0.00 H new ATOM 0 HA LYS A 62 8.880 -12.702 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.491 -12.280 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.472 -12.484 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.944 -14.634 9.123 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.254 -14.701 9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.580 -14.284 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.263 -14.163 6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.182 -16.643 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.049 -16.430 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.029 -17.672 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.462 -16.191 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.591 -16.397 7.953 1.00 0.00 H new ATOM 856 N ASP A 63 8.116 -11.296 10.893 1.00 0.00 N ATOM 857 CA ASP A 63 7.515 -11.278 12.221 1.00 0.00 C ATOM 858 C ASP A 63 6.016 -11.554 12.143 1.00 0.00 C ATOM 859 O ASP A 63 5.392 -11.931 13.134 1.00 0.00 O ATOM 860 CB ASP A 63 7.763 -9.929 12.899 1.00 0.00 C ATOM 861 CG ASP A 63 6.694 -9.587 13.917 1.00 0.00 C ATOM 862 OD1 ASP A 63 5.657 -9.015 13.519 1.00 0.00 O ATOM 863 OD2 ASP A 63 6.893 -9.891 15.112 1.00 0.00 O ATOM 0 H ASP A 63 7.812 -10.538 10.282 1.00 0.00 H new ATOM 0 HA ASP A 63 7.981 -12.065 12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.736 -9.946 13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.802 -9.147 12.141 1.00 0.00 H new ATOM 868 N GLY A 64 5.445 -11.361 10.958 1.00 0.00 N ATOM 869 CA GLY A 64 4.024 -11.592 10.773 1.00 0.00 C ATOM 870 C GLY A 64 3.371 -10.528 9.913 1.00 0.00 C ATOM 871 O GLY A 64 2.247 -10.704 9.441 1.00 0.00 O ATOM 0 H GLY A 64 5.941 -11.049 10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.875 -12.569 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.534 -11.620 11.746 1.00 0.00 H new ATOM 875 N THR A 65 4.076 -9.420 9.708 1.00 0.00 N ATOM 876 CA THR A 65 3.557 -8.322 8.902 1.00 0.00 C ATOM 877 C THR A 65 4.553 -7.914 7.823 1.00 0.00 C ATOM 878 O THR A 65 5.699 -8.364 7.821 1.00 0.00 O ATOM 879 CB THR A 65 3.226 -7.094 9.771 1.00 0.00 C ATOM 880 OG1 THR A 65 4.432 -6.519 10.285 1.00 0.00 O ATOM 881 CG2 THR A 65 2.309 -7.477 10.923 1.00 0.00 C ATOM 0 H THR A 65 5.008 -9.259 10.089 1.00 0.00 H new ATOM 0 HA THR A 65 2.642 -8.681 8.431 1.00 0.00 H new ATOM 0 HB THR A 65 2.712 -6.363 9.147 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.213 -5.738 10.835 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.089 -6.594 11.522 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.380 -7.887 10.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.800 -8.225 11.546 1.00 0.00 H new ATOM 889 N CYS A 66 4.110 -7.059 6.908 1.00 0.00 N ATOM 890 CA CYS A 66 4.964 -6.589 5.823 1.00 0.00 C ATOM 891 C CYS A 66 4.911 -5.069 5.708 1.00 0.00 C ATOM 892 O CYS A 66 3.836 -4.481 5.592 1.00 0.00 O ATOM 893 CB CYS A 66 4.539 -7.227 4.499 1.00 0.00 C ATOM 894 SG CYS A 66 5.231 -8.874 4.218 1.00 0.00 S ATOM 0 H CYS A 66 3.164 -6.677 6.896 1.00 0.00 H new ATOM 0 HA CYS A 66 5.989 -6.883 6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.451 -7.292 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.840 -6.574 3.680 1.00 0.00 H new ATOM 0 HG CYS A 66 4.813 -9.331 3.075 1.00 0.00 H new ATOM 900 N THR A 67 6.081 -4.438 5.744 1.00 0.00 N ATOM 901 CA THR A 67 6.169 -2.986 5.648 1.00 0.00 C ATOM 902 C THR A 67 6.383 -2.543 4.205 1.00 0.00 C ATOM 903 O THR A 67 7.352 -2.942 3.560 1.00 0.00 O ATOM 904 CB THR A 67 7.313 -2.434 6.518 1.00 0.00 C ATOM 905 OG1 THR A 67 7.097 -2.780 7.890 1.00 0.00 O ATOM 906 CG2 THR A 67 7.416 -0.922 6.381 1.00 0.00 C ATOM 0 H THR A 67 6.980 -4.910 5.839 1.00 0.00 H new ATOM 0 HA THR A 67 5.222 -2.587 6.011 1.00 0.00 H new ATOM 0 HB THR A 67 8.247 -2.879 6.175 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.830 -2.426 8.436 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.231 -0.555 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.611 -0.663 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.480 -0.463 6.700 1.00 0.00 H new ATOM 914 N VAL A 68 5.472 -1.715 3.704 1.00 0.00 N ATOM 915 CA VAL A 68 5.562 -1.215 2.337 1.00 0.00 C ATOM 916 C VAL A 68 5.430 0.303 2.297 1.00 0.00 C ATOM 917 O VAL A 68 4.714 0.896 3.104 1.00 0.00 O ATOM 918 CB VAL A 68 4.477 -1.838 1.439 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.738 -1.506 -0.022 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.413 -3.344 1.649 1.00 0.00 C ATOM 0 H VAL A 68 4.663 -1.376 4.224 1.00 0.00 H new ATOM 0 HA VAL A 68 6.544 -1.501 1.959 1.00 0.00 H new ATOM 0 HB VAL A 68 3.512 -1.414 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.961 -1.955 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.730 -0.424 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.710 -1.901 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.641 -3.768 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.377 -3.787 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.175 -3.556 2.691 1.00 0.00 H new ATOM 930 N SER A 69 6.124 0.927 1.351 1.00 0.00 N ATOM 931 CA SER A 69 6.087 2.378 1.206 1.00 0.00 C ATOM 932 C SER A 69 6.122 2.778 -0.265 1.00 0.00 C ATOM 933 O SER A 69 6.973 2.315 -1.026 1.00 0.00 O ATOM 934 CB SER A 69 7.263 3.015 1.948 1.00 0.00 C ATOM 935 OG SER A 69 7.405 2.466 3.247 1.00 0.00 O ATOM 0 H SER A 69 6.719 0.451 0.673 1.00 0.00 H new ATOM 0 HA SER A 69 5.154 2.739 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.181 2.859 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.111 4.092 2.020 1.00 0.00 H new ATOM 0 HG SER A 69 8.279 2.715 3.614 1.00 0.00 H new ATOM 941 N TYR A 70 5.193 3.642 -0.659 1.00 0.00 N ATOM 942 CA TYR A 70 5.115 4.104 -2.040 1.00 0.00 C ATOM 943 C TYR A 70 5.308 5.615 -2.120 1.00 0.00 C ATOM 944 O TYR A 70 4.675 6.374 -1.385 1.00 0.00 O ATOM 945 CB TYR A 70 3.768 3.717 -2.654 1.00 0.00 C ATOM 946 CG TYR A 70 2.630 4.621 -2.236 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.469 5.877 -2.809 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.718 4.220 -1.268 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.431 6.706 -2.430 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.676 5.043 -0.884 1.00 0.00 C ATOM 951 CZ TYR A 70 0.538 6.285 -1.468 1.00 0.00 C ATOM 952 OH TYR A 70 -0.498 7.107 -1.087 1.00 0.00 O ATOM 0 H TYR A 70 4.483 4.037 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 70 5.915 3.623 -2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.855 3.735 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.530 2.692 -2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.167 6.210 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.825 3.249 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.320 7.679 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.026 4.716 -0.131 1.00 0.00 H new ATOM 0 HH TYR A 70 -1.035 6.659 -0.401 1.00 0.00 H new ATOM 962 N LEU A 71 6.187 6.045 -3.019 1.00 0.00 N ATOM 963 CA LEU A 71 6.465 7.466 -3.198 1.00 0.00 C ATOM 964 C LEU A 71 5.813 7.992 -4.473 1.00 0.00 C ATOM 965 O LEU A 71 6.333 7.829 -5.577 1.00 0.00 O ATOM 966 CB LEU A 71 7.974 7.709 -3.245 1.00 0.00 C ATOM 967 CG LEU A 71 8.415 9.124 -3.621 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.473 10.010 -2.386 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.765 9.094 -4.321 1.00 0.00 C ATOM 0 H LEU A 71 6.719 5.430 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 71 6.044 8.003 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.391 7.468 -2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.412 7.012 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 71 7.681 9.542 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.789 11.013 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.486 10.058 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.186 9.595 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.063 10.110 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.510 8.657 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.691 8.494 -5.228 1.00 0.00 H new ATOM 981 N PRO A 72 4.649 8.640 -4.319 1.00 0.00 N ATOM 982 CA PRO A 72 3.903 9.205 -5.447 1.00 0.00 C ATOM 983 C PRO A 72 4.606 10.411 -6.061 1.00 0.00 C ATOM 984 O PRO A 72 5.564 10.940 -5.495 1.00 0.00 O ATOM 985 CB PRO A 72 2.572 9.625 -4.818 1.00 0.00 C ATOM 986 CG PRO A 72 2.889 9.855 -3.380 1.00 0.00 C ATOM 987 CD PRO A 72 3.972 8.871 -3.033 1.00 0.00 C ATOM 0 HA PRO A 72 3.797 8.491 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.180 10.528 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.815 8.850 -4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.224 10.879 -3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.008 9.702 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.656 9.273 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.560 7.948 -2.624 1.00 0.00 H new ATOM 995 N THR A 73 4.124 10.844 -7.222 1.00 0.00 N ATOM 996 CA THR A 73 4.707 11.987 -7.913 1.00 0.00 C ATOM 997 C THR A 73 3.669 13.081 -8.139 1.00 0.00 C ATOM 998 O THR A 73 4.014 14.243 -8.348 1.00 0.00 O ATOM 999 CB THR A 73 5.307 11.577 -9.271 1.00 0.00 C ATOM 1000 OG1 THR A 73 6.172 10.448 -9.103 1.00 0.00 O ATOM 1001 CG2 THR A 73 6.084 12.730 -9.890 1.00 0.00 C ATOM 0 H THR A 73 3.331 10.420 -7.703 1.00 0.00 H new ATOM 0 HA THR A 73 5.502 12.370 -7.274 1.00 0.00 H new ATOM 0 HB THR A 73 4.488 11.311 -9.940 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.548 10.192 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.498 12.417 -10.848 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.416 13.578 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.895 13.022 -9.222 1.00 0.00 H new ATOM 1009 N ALA A 74 2.396 12.700 -8.095 1.00 0.00 N ATOM 1010 CA ALA A 74 1.308 13.649 -8.291 1.00 0.00 C ATOM 1011 C ALA A 74 0.173 13.397 -7.304 1.00 0.00 C ATOM 1012 O ALA A 74 -0.136 12.257 -6.955 1.00 0.00 O ATOM 1013 CB ALA A 74 0.793 13.573 -9.721 1.00 0.00 C ATOM 0 H ALA A 74 2.094 11.741 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 74 1.696 14.651 -8.108 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.020 14.287 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.602 13.811 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.428 12.566 -9.923 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.462 14.483 -6.841 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.572 14.404 -5.887 1.00 0.00 C ATOM 1021 C PRO A 75 -2.832 13.813 -6.511 1.00 0.00 C ATOM 1022 O PRO A 75 -3.150 14.085 -7.667 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.806 15.865 -5.493 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.301 16.655 -6.651 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.147 15.872 -7.214 1.00 0.00 C ATOM 0 HA PRO A 75 -1.339 13.753 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.862 16.061 -5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.272 16.119 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.081 16.793 -7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.982 17.649 -6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.071 15.990 -8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.803 16.196 -6.790 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.546 13.001 -5.736 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.763 12.384 -6.230 1.00 0.00 C ATOM 1035 C GLY A 76 -5.126 11.126 -5.467 1.00 0.00 C ATOM 1036 O GLY A 76 -4.514 10.812 -4.446 1.00 0.00 O ATOM 0 H GLY A 76 -3.303 12.760 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.584 13.098 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.642 12.142 -7.286 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.127 10.405 -5.960 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.573 9.175 -5.317 1.00 0.00 C ATOM 1042 C ASP A 77 -5.786 7.975 -5.835 1.00 0.00 C ATOM 1043 O ASP A 77 -6.029 7.490 -6.941 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.068 8.961 -5.556 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.512 9.453 -6.920 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.012 8.922 -7.933 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -9.359 10.369 -6.974 1.00 0.00 O ATOM 0 H ASP A 77 -6.645 10.651 -6.803 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.395 9.270 -4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.300 7.900 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.635 9.481 -4.783 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.841 7.501 -5.031 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.016 6.360 -5.409 1.00 0.00 C ATOM 1054 C TYR A 78 -4.709 5.047 -5.062 1.00 0.00 C ATOM 1055 O TYR A 78 -5.250 4.888 -3.967 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.657 6.433 -4.711 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.694 7.403 -5.358 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.668 8.741 -4.984 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.810 6.981 -6.343 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -0.791 9.630 -5.573 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.072 7.863 -6.937 1.00 0.00 C ATOM 1062 CZ TYR A 78 0.077 9.187 -6.549 1.00 0.00 C ATOM 1063 OH TYR A 78 0.954 10.069 -7.138 1.00 0.00 O ATOM 0 H TYR A 78 -4.627 7.890 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.865 6.395 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.807 6.723 -3.671 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.208 5.440 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.345 9.092 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.812 5.945 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.785 10.667 -5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.754 7.518 -7.701 1.00 0.00 H new ATOM 0 HH TYR A 78 0.453 10.813 -7.534 1.00 0.00 H new ATOM 1073 N SER A 79 -4.689 4.107 -6.002 1.00 0.00 N ATOM 1074 CA SER A 79 -5.318 2.808 -5.798 1.00 0.00 C ATOM 1075 C SER A 79 -4.269 1.733 -5.529 1.00 0.00 C ATOM 1076 O SER A 79 -3.654 1.206 -6.456 1.00 0.00 O ATOM 1077 CB SER A 79 -6.156 2.426 -7.019 1.00 0.00 C ATOM 1078 OG SER A 79 -7.414 3.076 -6.999 1.00 0.00 O ATOM 0 H SER A 79 -4.244 4.221 -6.913 1.00 0.00 H new ATOM 0 HA SER A 79 -5.970 2.880 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.620 2.693 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.302 1.346 -7.040 1.00 0.00 H new ATOM 0 HG SER A 79 -7.929 2.816 -7.791 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.072 1.413 -4.255 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.099 0.400 -3.864 1.00 0.00 C ATOM 1086 C ILE A 80 -3.678 -1.003 -4.006 1.00 0.00 C ATOM 1087 O ILE A 80 -4.412 -1.473 -3.136 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.627 0.604 -2.412 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.019 1.998 -2.241 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.620 -0.470 -2.027 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.189 2.565 -0.849 1.00 0.00 C ATOM 0 H ILE A 80 -4.573 1.840 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.246 0.507 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.489 0.521 -1.750 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.956 1.954 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.479 2.677 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.296 -0.313 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.084 -1.452 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.758 -0.415 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.734 3.554 -0.801 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.251 2.642 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.705 1.908 -0.127 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.343 -1.667 -5.107 1.00 0.00 N ATOM 1104 CA ILE A 81 -3.827 -3.018 -5.361 1.00 0.00 C ATOM 1105 C ILE A 81 -2.972 -4.054 -4.641 1.00 0.00 C ATOM 1106 O ILE A 81 -1.758 -4.118 -4.838 1.00 0.00 O ATOM 1107 CB ILE A 81 -3.840 -3.337 -6.868 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.761 -2.367 -7.610 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.278 -4.775 -7.101 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.397 -2.181 -9.066 1.00 0.00 C ATOM 0 H ILE A 81 -2.738 -1.291 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.847 -3.064 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.829 -3.218 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.787 -2.730 -7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.733 -1.399 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.282 -4.985 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.585 -5.452 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.281 -4.920 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.092 -1.480 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.383 -1.788 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.453 -3.140 -9.580 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.613 -4.865 -3.805 1.00 0.00 N ATOM 1123 CA VAL A 82 -2.911 -5.901 -3.057 1.00 0.00 C ATOM 1124 C VAL A 82 -3.669 -7.223 -3.105 1.00 0.00 C ATOM 1125 O VAL A 82 -4.707 -7.379 -2.463 1.00 0.00 O ATOM 1126 CB VAL A 82 -2.710 -5.492 -1.585 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -1.910 -6.550 -0.841 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.025 -4.136 -1.499 1.00 0.00 C ATOM 0 H VAL A 82 -4.617 -4.824 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.936 -6.026 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.688 -5.411 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.778 -6.244 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.444 -7.500 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.934 -6.666 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.891 -3.862 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.052 -4.188 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.641 -3.385 -1.994 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.143 -8.173 -3.872 1.00 0.00 N ATOM 1139 CA ARG A 83 -3.770 -9.482 -4.005 1.00 0.00 C ATOM 1140 C ARG A 83 -2.925 -10.560 -3.334 1.00 0.00 C ATOM 1141 O ARG A 83 -1.743 -10.356 -3.059 1.00 0.00 O ATOM 1142 CB ARG A 83 -3.974 -9.825 -5.482 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.707 -8.746 -6.262 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.808 -9.097 -7.738 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.121 -7.929 -8.558 1.00 0.00 N ATOM 1146 CZ ARG A 83 -5.273 -7.977 -9.877 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -5.141 -9.128 -10.522 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -5.557 -6.871 -10.554 1.00 0.00 N ATOM 0 H ARG A 83 -2.284 -8.060 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.740 -9.445 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.002 -9.998 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.533 -10.758 -5.556 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.707 -8.613 -5.849 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.186 -7.795 -6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.867 -9.533 -8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.578 -9.856 -7.878 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.229 -7.028 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.922 -9.980 -10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.258 -9.161 -11.535 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.659 -5.984 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.674 -6.909 -11.567 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.540 -11.709 -3.072 1.00 0.00 N ATOM 1163 CA PHE A 84 -2.846 -12.820 -2.431 1.00 0.00 C ATOM 1164 C PHE A 84 -3.319 -14.156 -2.996 1.00 0.00 C ATOM 1165 O PHE A 84 -4.426 -14.608 -2.705 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.070 -12.784 -0.918 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.418 -13.924 -0.189 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.069 -13.881 0.127 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.153 -15.039 0.181 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -0.466 -14.927 0.798 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -2.556 -16.088 0.853 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.210 -16.033 1.161 1.00 0.00 C ATOM 0 H PHE A 84 -4.518 -11.895 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.780 -12.717 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.685 -11.843 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.141 -12.799 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.482 -13.019 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.205 -15.088 -0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.586 -14.880 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.141 -16.950 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.741 -16.853 1.684 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.473 -14.782 -3.806 1.00 0.00 N ATOM 1183 CA ASP A 85 -2.803 -16.066 -4.412 1.00 0.00 C ATOM 1184 C ASP A 85 -3.896 -15.906 -5.464 1.00 0.00 C ATOM 1185 O ASP A 85 -4.789 -16.746 -5.578 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.251 -17.060 -3.340 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.115 -18.501 -3.792 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -2.015 -19.072 -3.632 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -4.107 -19.058 -4.306 1.00 0.00 O ATOM 0 H ASP A 85 -1.553 -14.421 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.907 -16.450 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.659 -16.908 -2.438 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.290 -16.862 -3.076 1.00 0.00 H new ATOM 1194 N ASP A 86 -3.820 -14.822 -6.229 1.00 0.00 N ATOM 1195 CA ASP A 86 -4.803 -14.551 -7.271 1.00 0.00 C ATOM 1196 C ASP A 86 -6.149 -14.171 -6.663 1.00 0.00 C ATOM 1197 O ASP A 86 -7.202 -14.585 -7.150 1.00 0.00 O ATOM 1198 CB ASP A 86 -4.965 -15.772 -8.178 1.00 0.00 C ATOM 1199 CG ASP A 86 -3.634 -16.357 -8.606 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -2.704 -15.572 -8.890 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -3.520 -17.599 -8.654 1.00 0.00 O ATOM 0 H ASP A 86 -3.088 -14.117 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.444 -13.711 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.542 -16.535 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.536 -15.490 -9.063 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.109 -13.382 -5.595 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.324 -12.945 -4.918 1.00 0.00 C ATOM 1208 C LYS A 87 -7.157 -11.539 -4.351 1.00 0.00 C ATOM 1209 O LYS A 87 -6.054 -11.136 -3.981 1.00 0.00 O ATOM 1210 CB LYS A 87 -7.686 -13.920 -3.795 1.00 0.00 C ATOM 1211 CG LYS A 87 -7.067 -13.561 -2.456 1.00 0.00 C ATOM 1212 CD LYS A 87 -6.965 -14.773 -1.546 1.00 0.00 C ATOM 1213 CE LYS A 87 -8.260 -15.011 -0.785 1.00 0.00 C ATOM 1214 NZ LYS A 87 -8.395 -16.428 -0.349 1.00 0.00 N ATOM 0 H LYS A 87 -5.246 -13.031 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.131 -12.928 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.770 -13.952 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.364 -14.922 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.074 -13.139 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.667 -12.791 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.723 -15.655 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.148 -14.630 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.294 -14.358 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.107 -14.743 -1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.290 -16.549 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.388 -17.050 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.601 -16.677 0.275 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.257 -10.798 -4.285 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.232 -9.437 -3.761 1.00 0.00 C ATOM 1230 C HIS A 88 -8.567 -9.421 -2.273 1.00 0.00 C ATOM 1231 O HIS A 88 -9.544 -10.033 -1.841 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.218 -8.554 -4.527 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.590 -7.789 -5.650 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.304 -6.442 -5.576 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.190 -8.190 -6.880 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.757 -6.047 -6.712 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.676 -7.089 -7.520 1.00 0.00 N ATOM 0 H HIS A 88 -9.178 -11.116 -4.588 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.224 -9.042 -3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.017 -9.178 -4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.679 -7.851 -3.833 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.486 -5.844 -4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.262 -9.190 -7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.431 -5.043 -6.941 1.00 0.00 H new ATOM 1246 N ILE A 89 -7.750 -8.720 -1.494 1.00 0.00 N ATOM 1247 CA ILE A 89 -7.961 -8.626 -0.055 1.00 0.00 C ATOM 1248 C ILE A 89 -9.136 -7.710 0.270 1.00 0.00 C ATOM 1249 O ILE A 89 -9.473 -6.799 -0.487 1.00 0.00 O ATOM 1250 CB ILE A 89 -6.703 -8.102 0.665 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.378 -6.681 0.201 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.524 -9.031 0.413 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.356 -5.981 1.069 1.00 0.00 C ATOM 0 H ILE A 89 -6.936 -8.209 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.180 -9.634 0.298 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.899 -8.077 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.008 -6.718 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.296 -6.093 0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.643 -8.648 0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.759 -10.027 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.325 -9.084 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.174 -4.979 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.732 -5.912 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.424 -6.547 1.062 1.00 0.00 H new ATOM 1265 N PRO A 90 -9.776 -7.956 1.423 1.00 0.00 N ATOM 1266 CA PRO A 90 -10.923 -7.163 1.876 1.00 0.00 C ATOM 1267 C PRO A 90 -10.525 -5.748 2.284 1.00 0.00 C ATOM 1268 O PRO A 90 -10.350 -5.459 3.467 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.437 -7.944 3.088 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.250 -8.692 3.588 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.428 -9.025 2.374 1.00 0.00 C ATOM 0 HA PRO A 90 -11.665 -7.033 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.833 -7.274 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.243 -8.622 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.678 -8.089 4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.553 -9.597 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.362 -9.031 2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.675 -10.010 1.979 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.384 -4.870 1.296 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.008 -3.496 1.573 1.00 0.00 C ATOM 1281 C GLY A 91 -9.234 -2.865 0.432 1.00 0.00 C ATOM 1282 O GLY A 91 -9.019 -1.653 0.414 1.00 0.00 O ATOM 0 H GLY A 91 -10.523 -5.086 0.309 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -10.906 -2.909 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.404 -3.464 2.480 1.00 0.00 H new ATOM 1286 N SER A 92 -8.814 -3.689 -0.523 1.00 0.00 N ATOM 1287 CA SER A 92 -8.055 -3.205 -1.670 1.00 0.00 C ATOM 1288 C SER A 92 -8.886 -3.293 -2.947 1.00 0.00 C ATOM 1289 O SER A 92 -9.800 -4.108 -3.069 1.00 0.00 O ATOM 1290 CB SER A 92 -6.765 -4.012 -1.832 1.00 0.00 C ATOM 1291 OG SER A 92 -6.412 -4.142 -3.198 1.00 0.00 O ATOM 0 H SER A 92 -8.986 -4.694 -0.525 1.00 0.00 H new ATOM 0 HA SER A 92 -7.802 -2.160 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.956 -3.523 -1.289 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.893 -5.000 -1.391 1.00 0.00 H new ATOM 0 HG SER A 92 -6.538 -5.072 -3.481 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.561 -2.432 -3.923 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.475 -1.457 -3.790 1.00 0.00 C ATOM 1299 C PRO A 93 -7.807 -0.352 -2.792 1.00 0.00 C ATOM 1300 O PRO A 93 -8.904 0.207 -2.812 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.340 -0.880 -5.201 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.683 -1.072 -5.818 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.230 -2.345 -5.233 1.00 0.00 C ATOM 0 HA PRO A 93 -6.560 -1.915 -3.413 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.064 0.174 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.566 -1.397 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.338 -0.229 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.607 -1.142 -6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.314 -2.306 -5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.000 -3.207 -5.860 1.00 0.00 H new ATOM 1311 N PHE A 94 -6.853 -0.042 -1.921 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.045 0.996 -0.915 1.00 0.00 C ATOM 1313 C PHE A 94 -6.853 2.383 -1.521 1.00 0.00 C ATOM 1314 O PHE A 94 -5.734 2.785 -1.842 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.070 0.796 0.247 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.406 -0.383 1.115 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.391 -0.287 2.085 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -5.736 -1.586 0.962 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -7.702 -1.370 2.885 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.043 -2.673 1.760 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.027 -2.565 2.722 1.00 0.00 C ATOM 0 H PHE A 94 -5.939 -0.494 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.066 0.920 -0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.063 0.669 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.058 1.697 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.921 0.644 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.965 -1.676 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.472 -1.283 3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.513 -3.605 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.269 -3.413 3.346 1.00 0.00 H new ATOM 1331 N THR A 95 -7.954 3.112 -1.677 1.00 0.00 N ATOM 1332 CA THR A 95 -7.909 4.453 -2.246 1.00 0.00 C ATOM 1333 C THR A 95 -7.304 5.448 -1.262 1.00 0.00 C ATOM 1334 O THR A 95 -7.980 5.922 -0.350 1.00 0.00 O ATOM 1335 CB THR A 95 -9.314 4.938 -2.651 1.00 0.00 C ATOM 1336 OG1 THR A 95 -9.926 3.988 -3.529 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.240 6.295 -3.336 1.00 0.00 C ATOM 0 H THR A 95 -8.888 2.796 -1.417 1.00 0.00 H new ATOM 0 HA THR A 95 -7.281 4.399 -3.135 1.00 0.00 H new ATOM 0 HB THR A 95 -9.916 5.036 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.819 4.303 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.244 6.618 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.800 7.023 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.623 6.217 -4.232 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.027 5.760 -1.454 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.331 6.701 -0.585 1.00 0.00 C ATOM 1347 C ALA A 96 -5.268 8.088 -1.216 1.00 0.00 C ATOM 1348 O ALA A 96 -4.896 8.235 -2.380 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.930 6.196 -0.273 1.00 0.00 C ATOM 0 H ALA A 96 -5.453 5.375 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.892 6.780 0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.423 6.909 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.995 5.230 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.368 6.086 -1.200 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.634 9.103 -0.441 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.618 10.479 -0.923 1.00 0.00 C ATOM 1357 C LYS A 97 -4.236 11.100 -0.750 1.00 0.00 C ATOM 1358 O LYS A 97 -3.651 11.045 0.332 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.661 11.314 -0.177 1.00 0.00 C ATOM 1360 CG LYS A 97 -8.042 11.268 -0.808 1.00 0.00 C ATOM 1361 CD LYS A 97 -9.128 11.600 0.201 1.00 0.00 C ATOM 1362 CE LYS A 97 -10.426 11.995 -0.486 1.00 0.00 C ATOM 1363 NZ LYS A 97 -11.576 11.998 0.460 1.00 0.00 N ATOM 0 H LYS A 97 -5.946 8.998 0.525 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.862 10.469 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.729 10.960 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.324 12.350 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.087 11.973 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.221 10.276 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.304 10.738 0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.793 12.414 0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.316 12.986 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.630 11.303 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.442 12.272 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.697 11.047 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.394 12.677 1.226 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.720 11.692 -1.823 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.408 12.325 -1.788 1.00 0.00 C ATOM 1379 C ILE A 98 -2.492 13.787 -2.214 1.00 0.00 C ATOM 1380 O ILE A 98 -2.869 14.095 -3.346 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.405 11.593 -2.699 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.268 10.130 -2.272 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.053 12.289 -2.665 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.718 9.958 -0.874 1.00 0.00 C ATOM 0 H ILE A 98 -4.191 11.746 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.058 12.269 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.780 11.620 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.245 9.650 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.616 9.614 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.645 11.760 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.164 13.316 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.330 12.290 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.648 8.896 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.273 10.409 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.382 10.445 -0.159 1.00 0.00 H new ATOM 1396 N THR A 99 -2.137 14.686 -1.301 1.00 0.00 N ATOM 1397 CA THR A 99 -2.171 16.115 -1.582 1.00 0.00 C ATOM 1398 C THR A 99 -0.796 16.628 -1.995 1.00 0.00 C ATOM 1399 O THR A 99 0.228 16.079 -1.593 1.00 0.00 O ATOM 1400 CB THR A 99 -2.659 16.916 -0.360 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.829 16.636 0.773 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.105 16.576 -0.032 1.00 0.00 C ATOM 0 H THR A 99 -1.823 14.449 -0.360 1.00 0.00 H new ATOM 0 HA THR A 99 -2.871 16.258 -2.405 1.00 0.00 H new ATOM 0 HB THR A 99 -2.598 17.977 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.145 17.150 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.427 17.154 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.738 16.818 -0.886 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.187 15.512 0.191 1.00 0.00 H new