USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=24 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= 0.157 X(o=0.16,f=0) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 67 THR OG1 : 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= -0.608 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 25 MET CE :methyl 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 27 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.572 USER MOD Single : A 52 SER OG : rot 37:sc= 0.508 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 180:sc= -2.4 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 0.395 (180deg=-0.0307) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 160:sc= -1.35 USER MOD Single : A 70 TYR OH : rot -164:sc= -3.35! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 4:sc= 1.04 USER MOD Single : A 79 SER OG : rot 92:sc= 0.0121 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HE2:sc= -2.72! X(o=-2.7!,f=-2.7) USER MOD Single : A 92 SER OG : rot -110:sc= -0.537 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= -0.0865 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.316 -8.121 5.907 1.00 0.00 N ATOM 179 CA SER A 15 -5.780 -6.764 6.172 1.00 0.00 C ATOM 180 C SER A 15 -4.602 -5.801 6.289 1.00 0.00 C ATOM 181 O SER A 15 -3.589 -6.115 6.913 1.00 0.00 O ATOM 182 CB SER A 15 -6.612 -6.728 7.455 1.00 0.00 C ATOM 183 OG SER A 15 -7.418 -5.564 7.507 1.00 0.00 O ATOM 0 HA SER A 15 -6.403 -6.449 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.244 -7.615 7.507 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.951 -6.756 8.322 1.00 0.00 H new ATOM 0 HG SER A 15 -7.941 -5.565 8.336 1.00 0.00 H new ATOM 189 N ALA A 16 -4.744 -4.626 5.684 1.00 0.00 N ATOM 190 CA ALA A 16 -3.695 -3.616 5.721 1.00 0.00 C ATOM 191 C ALA A 16 -4.170 -2.357 6.438 1.00 0.00 C ATOM 192 O ALA A 16 -5.357 -2.032 6.421 1.00 0.00 O ATOM 193 CB ALA A 16 -3.235 -3.280 4.310 1.00 0.00 C ATOM 0 H ALA A 16 -5.576 -4.351 5.162 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.852 -4.024 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.451 -2.524 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.847 -4.178 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.077 -2.897 3.734 1.00 0.00 H new ATOM 199 N TYR A 17 -3.236 -1.652 7.067 1.00 0.00 N ATOM 200 CA TYR A 17 -3.560 -0.430 7.793 1.00 0.00 C ATOM 201 C TYR A 17 -2.340 0.479 7.902 1.00 0.00 C ATOM 202 O TYR A 17 -1.205 0.009 7.959 1.00 0.00 O ATOM 203 CB TYR A 17 -4.087 -0.765 9.190 1.00 0.00 C ATOM 204 CG TYR A 17 -3.196 -1.713 9.961 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.144 -1.236 10.732 1.00 0.00 C ATOM 206 CD2 TYR A 17 -3.407 -3.086 9.918 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.327 -2.098 11.438 1.00 0.00 C ATOM 208 CE2 TYR A 17 -2.596 -3.955 10.621 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.557 -3.457 11.380 1.00 0.00 C ATOM 210 OH TYR A 17 -0.747 -4.319 12.081 1.00 0.00 O ATOM 0 H TYR A 17 -2.248 -1.906 7.089 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.335 0.097 7.237 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.199 0.158 9.758 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.080 -1.206 9.099 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.961 -0.173 10.781 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -4.219 -3.480 9.325 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.513 -1.710 12.032 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.774 -5.019 10.577 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.045 -5.241 11.933 1.00 0.00 H new ATOM 220 N GLY A 18 -2.584 1.786 7.933 1.00 0.00 N ATOM 221 CA GLY A 18 -1.497 2.742 8.036 1.00 0.00 C ATOM 222 C GLY A 18 -1.898 4.128 7.574 1.00 0.00 C ATOM 223 O GLY A 18 -2.975 4.332 7.013 1.00 0.00 O ATOM 0 H GLY A 18 -3.515 2.200 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.158 2.791 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.653 2.394 7.440 1.00 0.00 H new ATOM 227 N PRO A 19 -1.019 5.113 7.813 1.00 0.00 N ATOM 228 CA PRO A 19 -1.267 6.506 7.427 1.00 0.00 C ATOM 229 C PRO A 19 -1.227 6.704 5.916 1.00 0.00 C ATOM 230 O PRO A 19 -2.096 7.359 5.343 1.00 0.00 O ATOM 231 CB PRO A 19 -0.121 7.268 8.097 1.00 0.00 C ATOM 232 CG PRO A 19 0.968 6.262 8.246 1.00 0.00 C ATOM 233 CD PRO A 19 0.283 4.943 8.478 1.00 0.00 C ATOM 0 HA PRO A 19 -2.258 6.844 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.201 8.113 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.424 7.669 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.591 6.226 7.353 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.622 6.515 9.081 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.848 4.116 8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.167 4.732 9.541 1.00 0.00 H new ATOM 241 N GLY A 20 -0.211 6.133 5.275 1.00 0.00 N ATOM 242 CA GLY A 20 -0.078 6.259 3.835 1.00 0.00 C ATOM 243 C GLY A 20 -1.260 5.671 3.090 1.00 0.00 C ATOM 244 O GLY A 20 -1.583 6.104 1.983 1.00 0.00 O ATOM 0 H GLY A 20 0.522 5.586 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.025 7.312 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.836 5.760 3.513 1.00 0.00 H new ATOM 248 N LEU A 21 -1.906 4.681 3.696 1.00 0.00 N ATOM 249 CA LEU A 21 -3.058 4.030 3.081 1.00 0.00 C ATOM 250 C LEU A 21 -4.277 4.947 3.105 1.00 0.00 C ATOM 251 O LEU A 21 -4.994 5.068 2.112 1.00 0.00 O ATOM 252 CB LEU A 21 -3.376 2.721 3.806 1.00 0.00 C ATOM 253 CG LEU A 21 -2.372 1.585 3.609 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.773 0.370 4.433 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.262 1.219 2.136 1.00 0.00 C ATOM 0 H LEU A 21 -1.652 4.311 4.612 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.810 3.812 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.454 2.929 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.356 2.375 3.476 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.395 1.926 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.047 -0.429 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.800 0.639 5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.760 0.028 4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.543 0.409 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.236 0.898 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.928 2.088 1.569 1.00 0.00 H new ATOM 267 N SER A 22 -4.504 5.592 4.245 1.00 0.00 N ATOM 268 CA SER A 22 -5.637 6.497 4.398 1.00 0.00 C ATOM 269 C SER A 22 -5.433 7.767 3.579 1.00 0.00 C ATOM 270 O SER A 22 -6.358 8.256 2.929 1.00 0.00 O ATOM 271 CB SER A 22 -5.836 6.854 5.873 1.00 0.00 C ATOM 272 OG SER A 22 -6.664 5.904 6.520 1.00 0.00 O ATOM 0 H SER A 22 -3.919 5.505 5.076 1.00 0.00 H new ATOM 0 HA SER A 22 -6.528 5.988 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.869 6.899 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.283 7.845 5.954 1.00 0.00 H new ATOM 0 HG SER A 22 -6.774 6.153 7.461 1.00 0.00 H new ATOM 278 N HIS A 23 -4.214 8.297 3.614 1.00 0.00 N ATOM 279 CA HIS A 23 -3.887 9.511 2.874 1.00 0.00 C ATOM 280 C HIS A 23 -2.376 9.715 2.807 1.00 0.00 C ATOM 281 O HIS A 23 -1.608 8.920 3.346 1.00 0.00 O ATOM 282 CB HIS A 23 -4.549 10.725 3.526 1.00 0.00 C ATOM 283 CG HIS A 23 -3.937 11.108 4.838 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.414 10.659 6.051 1.00 0.00 N ATOM 285 CD2 HIS A 23 -2.879 11.903 5.123 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.677 11.161 7.026 1.00 0.00 C ATOM 287 NE2 HIS A 23 -2.738 11.919 6.489 1.00 0.00 N ATOM 0 H HIS A 23 -3.437 7.905 4.146 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.267 9.402 1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.486 11.573 2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.608 10.514 3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.261 12.427 4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.818 10.982 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.024 12.433 7.005 1.00 0.00 H new ATOM 296 N GLY A 24 -1.958 10.786 2.140 1.00 0.00 N ATOM 297 CA GLY A 24 -0.541 11.075 2.014 1.00 0.00 C ATOM 298 C GLY A 24 -0.278 12.399 1.324 1.00 0.00 C ATOM 299 O GLY A 24 -1.207 13.160 1.053 1.00 0.00 O ATOM 0 H GLY A 24 -2.575 11.459 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.087 11.089 3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.059 10.274 1.453 1.00 0.00 H new ATOM 303 N MET A 25 0.990 12.676 1.041 1.00 0.00 N ATOM 304 CA MET A 25 1.372 13.918 0.379 1.00 0.00 C ATOM 305 C MET A 25 2.408 13.657 -0.710 1.00 0.00 C ATOM 306 O MET A 25 3.198 12.718 -0.617 1.00 0.00 O ATOM 307 CB MET A 25 1.927 14.914 1.399 1.00 0.00 C ATOM 308 CG MET A 25 0.933 15.287 2.487 1.00 0.00 C ATOM 309 SD MET A 25 1.737 15.763 4.029 1.00 0.00 S ATOM 310 CE MET A 25 2.540 17.286 3.536 1.00 0.00 C ATOM 0 H MET A 25 1.771 12.057 1.260 1.00 0.00 H new ATOM 0 HA MET A 25 0.482 14.342 -0.085 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.818 14.489 1.862 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.240 15.819 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.310 16.110 2.138 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.270 14.442 2.673 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.066 17.713 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.252 17.080 2.737 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.791 17.994 3.181 1.00 0.00 H new ATOM 320 N VAL A 26 2.399 14.495 -1.742 1.00 0.00 N ATOM 321 CA VAL A 26 3.338 14.356 -2.848 1.00 0.00 C ATOM 322 C VAL A 26 4.779 14.364 -2.350 1.00 0.00 C ATOM 323 O VAL A 26 5.112 15.066 -1.396 1.00 0.00 O ATOM 324 CB VAL A 26 3.157 15.482 -3.883 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.148 15.321 -5.026 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.728 15.502 -4.404 1.00 0.00 C ATOM 0 H VAL A 26 1.751 15.277 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 26 3.127 13.398 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 26 3.354 16.436 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.005 16.125 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.165 15.361 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.985 14.361 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.618 16.304 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.500 14.547 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.041 15.670 -3.575 1.00 0.00 H new ATOM 336 N ASN A 27 5.630 13.580 -3.003 1.00 0.00 N ATOM 337 CA ASN A 27 7.036 13.497 -2.627 1.00 0.00 C ATOM 338 C ASN A 27 7.188 12.975 -1.201 1.00 0.00 C ATOM 339 O ASN A 27 8.055 13.425 -0.452 1.00 0.00 O ATOM 340 CB ASN A 27 7.701 14.869 -2.753 1.00 0.00 C ATOM 341 CG ASN A 27 8.290 15.102 -4.131 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.280 14.476 -4.509 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.681 16.007 -4.889 1.00 0.00 N ATOM 0 H ASN A 27 5.370 12.993 -3.796 1.00 0.00 H new ATOM 0 HA ASN A 27 7.527 12.799 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.968 15.646 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.488 14.958 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.032 16.207 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.863 16.502 -4.534 1.00 0.00 H new ATOM 350 N LYS A 28 6.339 12.022 -0.833 1.00 0.00 N ATOM 351 CA LYS A 28 6.378 11.436 0.502 1.00 0.00 C ATOM 352 C LYS A 28 6.030 9.952 0.455 1.00 0.00 C ATOM 353 O LYS A 28 4.947 9.557 0.021 1.00 0.00 O ATOM 354 CB LYS A 28 5.408 12.169 1.432 1.00 0.00 C ATOM 355 CG LYS A 28 5.645 13.668 1.499 1.00 0.00 C ATOM 356 CD LYS A 28 6.851 14.003 2.360 1.00 0.00 C ATOM 357 CE LYS A 28 6.586 13.712 3.829 1.00 0.00 C ATOM 358 NZ LYS A 28 7.700 14.184 4.698 1.00 0.00 N ATOM 0 H LYS A 28 5.615 11.639 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 28 7.392 11.541 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.387 11.986 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.494 11.751 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.795 14.059 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.760 14.160 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.712 13.425 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.106 15.056 2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.658 14.196 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.447 12.640 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.481 13.967 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.581 13.704 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.817 15.211 4.586 1.00 0.00 H new ATOM 372 N PRO A 29 6.967 9.108 0.913 1.00 0.00 N ATOM 373 CA PRO A 29 6.781 7.655 0.935 1.00 0.00 C ATOM 374 C PRO A 29 5.745 7.218 1.966 1.00 0.00 C ATOM 375 O PRO A 29 6.037 7.141 3.158 1.00 0.00 O ATOM 376 CB PRO A 29 8.166 7.125 1.312 1.00 0.00 C ATOM 377 CG PRO A 29 8.808 8.243 2.060 1.00 0.00 C ATOM 378 CD PRO A 29 8.280 9.509 1.444 1.00 0.00 C ATOM 0 HA PRO A 29 6.410 7.278 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.093 6.228 1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.743 6.858 0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.564 8.194 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.894 8.193 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.189 10.307 2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.937 9.877 0.656 1.00 0.00 H new ATOM 386 N ALA A 30 4.534 6.934 1.497 1.00 0.00 N ATOM 387 CA ALA A 30 3.456 6.503 2.379 1.00 0.00 C ATOM 388 C ALA A 30 3.749 5.130 2.974 1.00 0.00 C ATOM 389 O ALA A 30 3.675 4.114 2.283 1.00 0.00 O ATOM 390 CB ALA A 30 2.134 6.483 1.625 1.00 0.00 C ATOM 0 H ALA A 30 4.275 6.995 0.512 1.00 0.00 H new ATOM 0 HA ALA A 30 3.383 7.217 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.338 6.159 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.912 7.483 1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.205 5.792 0.785 1.00 0.00 H new ATOM 396 N THR A 31 4.083 5.107 4.261 1.00 0.00 N ATOM 397 CA THR A 31 4.389 3.859 4.948 1.00 0.00 C ATOM 398 C THR A 31 3.143 3.270 5.599 1.00 0.00 C ATOM 399 O THR A 31 2.345 3.990 6.200 1.00 0.00 O ATOM 400 CB THR A 31 5.470 4.062 6.026 1.00 0.00 C ATOM 401 OG1 THR A 31 4.957 4.874 7.088 1.00 0.00 O ATOM 402 CG2 THR A 31 6.708 4.717 5.433 1.00 0.00 C ATOM 0 H THR A 31 4.148 5.939 4.848 1.00 0.00 H new ATOM 0 HA THR A 31 4.763 3.167 4.194 1.00 0.00 H new ATOM 0 HB THR A 31 5.748 3.084 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.650 4.997 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.458 4.850 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.113 4.083 4.645 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.441 5.688 5.016 1.00 0.00 H new ATOM 410 N PHE A 32 2.981 1.957 5.477 1.00 0.00 N ATOM 411 CA PHE A 32 1.831 1.271 6.054 1.00 0.00 C ATOM 412 C PHE A 32 2.185 -0.166 6.426 1.00 0.00 C ATOM 413 O PHE A 32 3.221 -0.690 6.014 1.00 0.00 O ATOM 414 CB PHE A 32 0.658 1.282 5.072 1.00 0.00 C ATOM 415 CG PHE A 32 0.959 0.592 3.772 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.739 1.210 2.809 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.461 -0.675 3.514 1.00 0.00 C ATOM 418 CE1 PHE A 32 2.017 0.577 1.611 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.735 -1.313 2.319 1.00 0.00 C ATOM 420 CZ PHE A 32 1.515 -0.686 1.367 1.00 0.00 C ATOM 0 H PHE A 32 3.632 1.346 4.983 1.00 0.00 H new ATOM 0 HA PHE A 32 1.541 1.801 6.961 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.201 0.801 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.374 2.315 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.135 2.197 2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.149 -1.170 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.626 1.070 0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.340 -2.300 2.130 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.732 -1.183 0.433 1.00 0.00 H new ATOM 430 N THR A 33 1.316 -0.800 7.208 1.00 0.00 N ATOM 431 CA THR A 33 1.536 -2.175 7.637 1.00 0.00 C ATOM 432 C THR A 33 0.602 -3.135 6.909 1.00 0.00 C ATOM 433 O THR A 33 -0.551 -2.802 6.631 1.00 0.00 O ATOM 434 CB THR A 33 1.330 -2.330 9.156 1.00 0.00 C ATOM 435 OG1 THR A 33 2.484 -1.854 9.857 1.00 0.00 O ATOM 436 CG2 THR A 33 1.071 -3.783 9.522 1.00 0.00 C ATOM 0 H THR A 33 0.453 -0.382 7.557 1.00 0.00 H new ATOM 0 HA THR A 33 2.569 -2.421 7.391 1.00 0.00 H new ATOM 0 HB THR A 33 0.460 -1.740 9.445 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.345 -1.954 10.822 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.929 -3.867 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.175 -4.133 9.009 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.923 -4.392 9.220 1.00 0.00 H new ATOM 444 N ILE A 34 1.106 -4.325 6.603 1.00 0.00 N ATOM 445 CA ILE A 34 0.314 -5.333 5.908 1.00 0.00 C ATOM 446 C ILE A 34 0.342 -6.663 6.653 1.00 0.00 C ATOM 447 O ILE A 34 1.384 -7.312 6.750 1.00 0.00 O ATOM 448 CB ILE A 34 0.820 -5.553 4.470 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.863 -4.224 3.713 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.068 -6.554 3.744 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.649 -4.290 2.422 1.00 0.00 C ATOM 0 H ILE A 34 2.058 -4.615 6.825 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.710 -4.960 5.872 1.00 0.00 H new ATOM 0 HB ILE A 34 1.831 -5.958 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.156 -3.907 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.301 -3.462 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.302 -6.699 2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.053 -7.506 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.089 -6.175 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.637 -3.313 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.679 -4.576 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.198 -5.028 1.759 1.00 0.00 H new ATOM 463 N VAL A 35 -0.812 -7.065 7.178 1.00 0.00 N ATOM 464 CA VAL A 35 -0.921 -8.320 7.913 1.00 0.00 C ATOM 465 C VAL A 35 -0.791 -9.517 6.978 1.00 0.00 C ATOM 466 O VAL A 35 -1.601 -9.701 6.069 1.00 0.00 O ATOM 467 CB VAL A 35 -2.261 -8.414 8.666 1.00 0.00 C ATOM 468 CG1 VAL A 35 -2.369 -9.742 9.400 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.413 -7.248 9.631 1.00 0.00 C ATOM 0 H VAL A 35 -1.684 -6.540 7.108 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.105 -8.336 8.635 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.071 -8.361 7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.322 -9.790 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.309 -10.560 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.553 -9.828 10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.366 -7.331 10.154 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.598 -7.266 10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.384 -6.310 9.076 1.00 0.00 H new ATOM 479 N THR A 36 0.235 -10.332 7.207 1.00 0.00 N ATOM 480 CA THR A 36 0.473 -11.512 6.385 1.00 0.00 C ATOM 481 C THR A 36 0.487 -12.778 7.233 1.00 0.00 C ATOM 482 O THR A 36 0.200 -13.870 6.742 1.00 0.00 O ATOM 483 CB THR A 36 1.805 -11.404 5.620 1.00 0.00 C ATOM 484 OG1 THR A 36 2.864 -11.074 6.525 1.00 0.00 O ATOM 485 CG2 THR A 36 1.718 -10.350 4.527 1.00 0.00 C ATOM 0 H THR A 36 0.914 -10.196 7.956 1.00 0.00 H new ATOM 0 HA THR A 36 -0.345 -11.568 5.667 1.00 0.00 H new ATOM 0 HB THR A 36 2.011 -12.369 5.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.708 -11.009 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.671 -10.292 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.931 -10.620 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.490 -9.382 4.973 1.00 0.00 H new ATOM 493 N LYS A 37 0.823 -12.626 8.510 1.00 0.00 N ATOM 494 CA LYS A 37 0.873 -13.757 9.429 1.00 0.00 C ATOM 495 C LYS A 37 -0.449 -14.518 9.427 1.00 0.00 C ATOM 496 O LYS A 37 -0.470 -15.744 9.312 1.00 0.00 O ATOM 497 CB LYS A 37 1.196 -13.277 10.845 1.00 0.00 C ATOM 498 CG LYS A 37 0.942 -14.324 11.915 1.00 0.00 C ATOM 499 CD LYS A 37 2.047 -15.366 11.950 1.00 0.00 C ATOM 500 CE LYS A 37 1.731 -16.544 11.042 1.00 0.00 C ATOM 501 NZ LYS A 37 2.845 -17.532 11.008 1.00 0.00 N ATOM 0 H LYS A 37 1.065 -11.729 8.932 1.00 0.00 H new ATOM 0 HA LYS A 37 1.661 -14.431 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.242 -12.973 10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.598 -12.392 11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.867 -13.840 12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.014 -14.813 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.988 -14.910 11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.183 -15.719 12.972 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.821 -17.035 11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.535 -16.182 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.591 -18.320 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.708 -17.071 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.015 -17.896 11.967 1.00 0.00 H new ATOM 573 N LEU A 44 1.101 -12.914 -2.416 1.00 0.00 N ATOM 574 CA LEU A 44 0.533 -11.571 -2.388 1.00 0.00 C ATOM 575 C LEU A 44 1.108 -10.714 -3.511 1.00 0.00 C ATOM 576 O LEU A 44 2.225 -10.945 -3.972 1.00 0.00 O ATOM 577 CB LEU A 44 0.805 -10.909 -1.036 1.00 0.00 C ATOM 578 CG LEU A 44 0.027 -9.625 -0.748 1.00 0.00 C ATOM 579 CD1 LEU A 44 -1.295 -9.942 -0.067 1.00 0.00 C ATOM 580 CD2 LEU A 44 0.857 -8.679 0.108 1.00 0.00 C ATOM 0 HA LEU A 44 -0.544 -11.655 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.581 -11.630 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.870 -10.687 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.186 -9.132 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.834 -9.015 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.895 -10.580 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.105 -10.458 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.287 -7.770 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.102 -9.164 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.777 -8.425 -0.418 1.00 0.00 H new ATOM 592 N SER A 45 0.337 -9.722 -3.945 1.00 0.00 N ATOM 593 CA SER A 45 0.768 -8.830 -5.015 1.00 0.00 C ATOM 594 C SER A 45 0.536 -7.371 -4.634 1.00 0.00 C ATOM 595 O SER A 45 -0.561 -6.992 -4.222 1.00 0.00 O ATOM 596 CB SER A 45 0.022 -9.156 -6.311 1.00 0.00 C ATOM 597 OG SER A 45 -1.352 -8.825 -6.205 1.00 0.00 O ATOM 0 H SER A 45 -0.590 -9.516 -3.572 1.00 0.00 H new ATOM 0 HA SER A 45 1.836 -8.980 -5.171 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.469 -8.607 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.127 -10.217 -6.538 1.00 0.00 H new ATOM 0 HG SER A 45 -1.806 -9.041 -7.046 1.00 0.00 H new ATOM 603 N LEU A 46 1.576 -6.557 -4.775 1.00 0.00 N ATOM 604 CA LEU A 46 1.487 -5.139 -4.446 1.00 0.00 C ATOM 605 C LEU A 46 1.689 -4.278 -5.688 1.00 0.00 C ATOM 606 O LEU A 46 2.709 -4.381 -6.368 1.00 0.00 O ATOM 607 CB LEU A 46 2.527 -4.775 -3.385 1.00 0.00 C ATOM 608 CG LEU A 46 2.208 -5.211 -1.954 1.00 0.00 C ATOM 609 CD1 LEU A 46 3.490 -5.459 -1.174 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.350 -4.166 -1.257 1.00 0.00 C ATOM 0 H LEU A 46 2.491 -6.855 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 46 0.490 -4.945 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.481 -5.216 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.661 -3.693 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 46 1.646 -6.144 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.244 -5.768 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.067 -6.244 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.079 -4.543 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.133 -4.493 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.885 -3.217 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.416 -4.038 -1.804 1.00 0.00 H new ATOM 622 N ALA A 47 0.710 -3.427 -5.978 1.00 0.00 N ATOM 623 CA ALA A 47 0.782 -2.545 -7.136 1.00 0.00 C ATOM 624 C ALA A 47 -0.080 -1.302 -6.934 1.00 0.00 C ATOM 625 O ALA A 47 -1.153 -1.369 -6.335 1.00 0.00 O ATOM 626 CB ALA A 47 0.353 -3.288 -8.393 1.00 0.00 C ATOM 0 H ALA A 47 -0.143 -3.330 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 47 1.817 -2.223 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.412 -2.617 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.012 -4.141 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.672 -3.639 -8.276 1.00 0.00 H new ATOM 632 N VAL A 48 0.398 -0.169 -7.437 1.00 0.00 N ATOM 633 CA VAL A 48 -0.328 1.089 -7.312 1.00 0.00 C ATOM 634 C VAL A 48 -0.797 1.591 -8.673 1.00 0.00 C ATOM 635 O VAL A 48 -0.096 1.444 -9.674 1.00 0.00 O ATOM 636 CB VAL A 48 0.540 2.175 -6.648 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.167 3.521 -6.687 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.880 1.784 -5.219 1.00 0.00 C ATOM 0 H VAL A 48 1.285 -0.096 -7.935 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.195 0.892 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 48 1.471 2.264 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.461 4.276 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.355 3.803 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.114 3.450 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.493 2.562 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.039 1.666 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.430 0.843 -5.220 1.00 0.00 H new ATOM 648 N GLU A 49 -1.987 2.183 -8.702 1.00 0.00 N ATOM 649 CA GLU A 49 -2.549 2.706 -9.942 1.00 0.00 C ATOM 650 C GLU A 49 -3.307 4.006 -9.689 1.00 0.00 C ATOM 651 O GLU A 49 -4.408 3.999 -9.139 1.00 0.00 O ATOM 652 CB GLU A 49 -3.481 1.674 -10.580 1.00 0.00 C ATOM 653 CG GLU A 49 -2.749 0.551 -11.294 1.00 0.00 C ATOM 654 CD GLU A 49 -2.317 0.934 -12.696 1.00 0.00 C ATOM 655 OE1 GLU A 49 -3.201 1.170 -13.546 1.00 0.00 O ATOM 656 OE2 GLU A 49 -1.094 0.998 -12.943 1.00 0.00 O ATOM 0 H GLU A 49 -2.580 2.312 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.726 2.913 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.119 1.246 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.136 2.179 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.872 0.267 -10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.396 -0.325 -11.344 1.00 0.00 H new ATOM 663 N GLY A 50 -2.710 5.122 -10.096 1.00 0.00 N ATOM 664 CA GLY A 50 -3.342 6.414 -9.905 1.00 0.00 C ATOM 665 C GLY A 50 -2.950 7.415 -10.974 1.00 0.00 C ATOM 666 O GLY A 50 -2.749 7.066 -12.137 1.00 0.00 O ATOM 0 H GLY A 50 -1.800 5.154 -10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.425 6.289 -9.908 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.069 6.807 -8.926 1.00 0.00 H new ATOM 670 N PRO A 51 -2.840 8.693 -10.582 1.00 0.00 N ATOM 671 CA PRO A 51 -2.470 9.774 -11.501 1.00 0.00 C ATOM 672 C PRO A 51 -1.015 9.682 -11.948 1.00 0.00 C ATOM 673 O PRO A 51 -0.598 10.371 -12.880 1.00 0.00 O ATOM 674 CB PRO A 51 -2.696 11.039 -10.669 1.00 0.00 C ATOM 675 CG PRO A 51 -2.551 10.593 -9.255 1.00 0.00 C ATOM 676 CD PRO A 51 -3.066 9.181 -9.211 1.00 0.00 C ATOM 0 HA PRO A 51 -3.052 9.744 -12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.968 11.811 -10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.684 11.462 -10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.510 10.639 -8.936 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.119 11.236 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.529 8.580 -8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.121 9.146 -8.941 1.00 0.00 H new ATOM 684 N SER A 52 -0.248 8.828 -11.279 1.00 0.00 N ATOM 685 CA SER A 52 1.162 8.649 -11.607 1.00 0.00 C ATOM 686 C SER A 52 1.676 7.312 -11.083 1.00 0.00 C ATOM 687 O SER A 52 1.018 6.652 -10.278 1.00 0.00 O ATOM 688 CB SER A 52 1.992 9.793 -11.020 1.00 0.00 C ATOM 689 OG SER A 52 2.112 10.862 -11.943 1.00 0.00 O ATOM 0 H SER A 52 -0.578 8.249 -10.507 1.00 0.00 H new ATOM 0 HA SER A 52 1.262 8.656 -12.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.525 10.151 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.983 9.427 -10.752 1.00 0.00 H new ATOM 0 HG SER A 52 1.274 10.959 -12.441 1.00 0.00 H new ATOM 695 N LYS A 53 2.857 6.917 -11.545 1.00 0.00 N ATOM 696 CA LYS A 53 3.463 5.659 -11.124 1.00 0.00 C ATOM 697 C LYS A 53 4.355 5.867 -9.904 1.00 0.00 C ATOM 698 O LYS A 53 5.415 6.484 -9.996 1.00 0.00 O ATOM 699 CB LYS A 53 4.279 5.054 -12.268 1.00 0.00 C ATOM 700 CG LYS A 53 4.604 3.583 -12.072 1.00 0.00 C ATOM 701 CD LYS A 53 4.904 2.897 -13.394 1.00 0.00 C ATOM 702 CE LYS A 53 6.354 3.096 -13.808 1.00 0.00 C ATOM 703 NZ LYS A 53 6.775 2.110 -14.842 1.00 0.00 N ATOM 0 H LYS A 53 3.415 7.450 -12.212 1.00 0.00 H new ATOM 0 HA LYS A 53 2.662 4.971 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.727 5.174 -13.200 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.209 5.612 -12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.462 3.485 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.765 3.086 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.692 1.831 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.246 3.292 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.486 4.107 -14.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.998 3.003 -12.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.769 2.278 -15.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.673 1.146 -14.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.177 2.216 -15.687 1.00 0.00 H new ATOM 717 N ALA A 54 3.919 5.345 -8.762 1.00 0.00 N ATOM 718 CA ALA A 54 4.680 5.470 -7.525 1.00 0.00 C ATOM 719 C ALA A 54 5.359 4.154 -7.163 1.00 0.00 C ATOM 720 O ALA A 54 4.697 3.131 -6.989 1.00 0.00 O ATOM 721 CB ALA A 54 3.773 5.928 -6.392 1.00 0.00 C ATOM 0 H ALA A 54 3.043 4.832 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 54 5.457 6.219 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.354 6.017 -5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.339 6.896 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.975 5.199 -6.247 1.00 0.00 H new ATOM 727 N GLU A 55 6.683 4.187 -7.052 1.00 0.00 N ATOM 728 CA GLU A 55 7.451 2.995 -6.712 1.00 0.00 C ATOM 729 C GLU A 55 7.002 2.423 -5.370 1.00 0.00 C ATOM 730 O GLU A 55 6.492 3.147 -4.514 1.00 0.00 O ATOM 731 CB GLU A 55 8.945 3.320 -6.666 1.00 0.00 C ATOM 732 CG GLU A 55 9.651 3.132 -7.999 1.00 0.00 C ATOM 733 CD GLU A 55 9.947 1.677 -8.302 1.00 0.00 C ATOM 734 OE1 GLU A 55 9.009 0.855 -8.244 1.00 0.00 O ATOM 735 OE2 GLU A 55 11.119 1.360 -8.597 1.00 0.00 O ATOM 0 H GLU A 55 7.246 5.026 -7.192 1.00 0.00 H new ATOM 0 HA GLU A 55 7.273 2.247 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.074 4.352 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.423 2.687 -5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.032 3.546 -8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.584 3.695 -7.994 1.00 0.00 H new ATOM 742 N ILE A 56 7.194 1.120 -5.195 1.00 0.00 N ATOM 743 CA ILE A 56 6.810 0.451 -3.959 1.00 0.00 C ATOM 744 C ILE A 56 7.995 -0.284 -3.340 1.00 0.00 C ATOM 745 O ILE A 56 8.581 -1.172 -3.959 1.00 0.00 O ATOM 746 CB ILE A 56 5.665 -0.552 -4.194 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.541 0.104 -5.000 1.00 0.00 C ATOM 748 CG2 ILE A 56 5.137 -1.073 -2.866 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.636 -0.890 -5.693 1.00 0.00 C ATOM 0 H ILE A 56 7.613 0.507 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 56 6.468 1.227 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 56 6.052 -1.396 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.942 0.726 -4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.979 0.767 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.328 -1.781 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.941 -1.572 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.763 -0.240 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.863 -0.355 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.222 -1.495 -6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.170 -1.537 -4.950 1.00 0.00 H new ATOM 761 N THR A 57 8.341 0.092 -2.113 1.00 0.00 N ATOM 762 CA THR A 57 9.455 -0.531 -1.409 1.00 0.00 C ATOM 763 C THR A 57 8.959 -1.484 -0.328 1.00 0.00 C ATOM 764 O THR A 57 8.308 -1.066 0.631 1.00 0.00 O ATOM 765 CB THR A 57 10.373 0.525 -0.764 1.00 0.00 C ATOM 766 OG1 THR A 57 10.793 1.476 -1.749 1.00 0.00 O ATOM 767 CG2 THR A 57 11.592 -0.131 -0.134 1.00 0.00 C ATOM 0 H THR A 57 7.866 0.825 -1.586 1.00 0.00 H new ATOM 0 HA THR A 57 10.023 -1.092 -2.151 1.00 0.00 H new ATOM 0 HB THR A 57 9.810 1.036 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.375 2.145 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.226 0.634 0.315 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.271 -0.833 0.635 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.155 -0.664 -0.900 1.00 0.00 H new ATOM 775 N CYS A 58 9.269 -2.766 -0.488 1.00 0.00 N ATOM 776 CA CYS A 58 8.854 -3.779 0.476 1.00 0.00 C ATOM 777 C CYS A 58 9.977 -4.085 1.461 1.00 0.00 C ATOM 778 O CYS A 58 11.149 -4.138 1.087 1.00 0.00 O ATOM 779 CB CYS A 58 8.431 -5.058 -0.248 1.00 0.00 C ATOM 780 SG CYS A 58 6.674 -5.121 -0.670 1.00 0.00 S ATOM 0 H CYS A 58 9.806 -3.128 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 58 8.003 -3.388 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.017 -5.156 -1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.674 -5.915 0.380 1.00 0.00 H new ATOM 0 HG CYS A 58 6.414 -6.239 -1.281 1.00 0.00 H new ATOM 786 N LYS A 59 9.612 -4.285 2.723 1.00 0.00 N ATOM 787 CA LYS A 59 10.588 -4.586 3.764 1.00 0.00 C ATOM 788 C LYS A 59 10.320 -5.955 4.382 1.00 0.00 C ATOM 789 O LYS A 59 9.171 -6.379 4.498 1.00 0.00 O ATOM 790 CB LYS A 59 10.554 -3.509 4.850 1.00 0.00 C ATOM 791 CG LYS A 59 11.888 -3.307 5.548 1.00 0.00 C ATOM 792 CD LYS A 59 12.877 -2.571 4.660 1.00 0.00 C ATOM 793 CE LYS A 59 12.572 -1.082 4.601 1.00 0.00 C ATOM 794 NZ LYS A 59 13.681 -0.314 3.971 1.00 0.00 N ATOM 0 H LYS A 59 8.647 -4.244 3.050 1.00 0.00 H new ATOM 0 HA LYS A 59 11.577 -4.601 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.240 -2.565 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.802 -3.777 5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.736 -2.744 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.302 -4.275 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.888 -2.722 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.846 -2.990 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.653 -0.921 4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.397 -0.707 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.435 0.696 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.552 -0.447 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.831 -0.655 3.000 1.00 0.00 H new ATOM 808 N ASP A 60 11.388 -6.639 4.777 1.00 0.00 N ATOM 809 CA ASP A 60 11.267 -7.959 5.386 1.00 0.00 C ATOM 810 C ASP A 60 11.506 -7.887 6.891 1.00 0.00 C ATOM 811 O ASP A 60 12.637 -7.711 7.342 1.00 0.00 O ATOM 812 CB ASP A 60 12.259 -8.932 4.746 1.00 0.00 C ATOM 813 CG ASP A 60 11.743 -9.510 3.442 1.00 0.00 C ATOM 814 OD1 ASP A 60 10.582 -9.970 3.415 1.00 0.00 O ATOM 815 OD2 ASP A 60 12.501 -9.502 2.450 1.00 0.00 O ATOM 0 H ASP A 60 12.346 -6.302 4.687 1.00 0.00 H new ATOM 0 HA ASP A 60 10.253 -8.320 5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.202 -8.417 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.468 -9.744 5.443 1.00 0.00 H new ATOM 820 N ASN A 61 10.432 -8.024 7.662 1.00 0.00 N ATOM 821 CA ASN A 61 10.525 -7.972 9.117 1.00 0.00 C ATOM 822 C ASN A 61 10.843 -9.350 9.690 1.00 0.00 C ATOM 823 O ASN A 61 11.527 -9.468 10.708 1.00 0.00 O ATOM 824 CB ASN A 61 9.217 -7.449 9.713 1.00 0.00 C ATOM 825 CG ASN A 61 8.777 -6.141 9.085 1.00 0.00 C ATOM 826 OD1 ASN A 61 9.307 -5.077 9.404 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.802 -6.215 8.186 1.00 0.00 N ATOM 0 H ASN A 61 9.488 -8.172 7.304 1.00 0.00 H new ATOM 0 HA ASN A 61 11.335 -7.292 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.435 -8.196 9.576 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.341 -7.310 10.787 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.464 -5.368 7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.391 -7.119 7.952 1.00 0.00 H new ATOM 834 N LYS A 62 10.344 -10.389 9.031 1.00 0.00 N ATOM 835 CA LYS A 62 10.576 -11.760 9.472 1.00 0.00 C ATOM 836 C LYS A 62 10.044 -11.973 10.886 1.00 0.00 C ATOM 837 O LYS A 62 10.587 -12.772 11.649 1.00 0.00 O ATOM 838 CB LYS A 62 12.070 -12.087 9.423 1.00 0.00 C ATOM 839 CG LYS A 62 12.534 -12.607 8.073 1.00 0.00 C ATOM 840 CD LYS A 62 12.717 -11.477 7.074 1.00 0.00 C ATOM 841 CE LYS A 62 14.131 -10.918 7.117 1.00 0.00 C ATOM 842 NZ LYS A 62 14.286 -9.881 8.175 1.00 0.00 N ATOM 0 H LYS A 62 9.775 -10.308 8.188 1.00 0.00 H new ATOM 0 HA LYS A 62 10.042 -12.428 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.638 -11.191 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.296 -12.831 10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.475 -13.144 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.806 -13.321 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.498 -11.839 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.003 -10.681 7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.837 -11.729 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.381 -10.488 6.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.119 -9.294 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.437 -9.280 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.410 -10.343 9.098 1.00 0.00 H new ATOM 856 N ASP A 63 8.979 -11.255 11.227 1.00 0.00 N ATOM 857 CA ASP A 63 8.373 -11.368 12.549 1.00 0.00 C ATOM 858 C ASP A 63 6.892 -11.715 12.439 1.00 0.00 C ATOM 859 O ASP A 63 6.292 -12.229 13.382 1.00 0.00 O ATOM 860 CB ASP A 63 8.547 -10.063 13.326 1.00 0.00 C ATOM 861 CG ASP A 63 9.876 -9.995 14.053 1.00 0.00 C ATOM 862 OD1 ASP A 63 10.872 -9.571 13.430 1.00 0.00 O ATOM 863 OD2 ASP A 63 9.919 -10.365 15.245 1.00 0.00 O ATOM 0 H ASP A 63 8.518 -10.589 10.607 1.00 0.00 H new ATOM 0 HA ASP A 63 8.877 -12.171 13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.469 -9.221 12.638 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.736 -9.962 14.047 1.00 0.00 H new ATOM 868 N GLY A 64 6.306 -11.431 11.279 1.00 0.00 N ATOM 869 CA GLY A 64 4.900 -11.718 11.068 1.00 0.00 C ATOM 870 C GLY A 64 4.163 -10.563 10.419 1.00 0.00 C ATOM 871 O GLY A 64 2.957 -10.400 10.610 1.00 0.00 O ATOM 0 H GLY A 64 6.781 -11.007 10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.803 -12.605 10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.433 -11.952 12.025 1.00 0.00 H new ATOM 875 N THR A 65 4.889 -9.757 9.650 1.00 0.00 N ATOM 876 CA THR A 65 4.298 -8.610 8.973 1.00 0.00 C ATOM 877 C THR A 65 5.165 -8.153 7.806 1.00 0.00 C ATOM 878 O THR A 65 6.302 -8.601 7.653 1.00 0.00 O ATOM 879 CB THR A 65 4.096 -7.429 9.941 1.00 0.00 C ATOM 880 OG1 THR A 65 5.364 -6.966 10.420 1.00 0.00 O ATOM 881 CG2 THR A 65 3.223 -7.837 11.118 1.00 0.00 C ATOM 0 H THR A 65 5.888 -9.878 9.481 1.00 0.00 H new ATOM 0 HA THR A 65 3.327 -8.932 8.596 1.00 0.00 H new ATOM 0 HB THR A 65 3.597 -6.626 9.399 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.227 -6.214 11.033 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.095 -6.987 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.249 -8.162 10.753 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.699 -8.655 11.658 1.00 0.00 H new ATOM 889 N CYS A 66 4.622 -7.260 6.986 1.00 0.00 N ATOM 890 CA CYS A 66 5.348 -6.743 5.831 1.00 0.00 C ATOM 891 C CYS A 66 5.186 -5.230 5.721 1.00 0.00 C ATOM 892 O CYS A 66 4.083 -4.726 5.508 1.00 0.00 O ATOM 893 CB CYS A 66 4.854 -7.415 4.549 1.00 0.00 C ATOM 894 SG CYS A 66 5.730 -8.941 4.131 1.00 0.00 S ATOM 0 H CYS A 66 3.683 -6.879 7.099 1.00 0.00 H new ATOM 0 HA CYS A 66 6.406 -6.969 5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.792 -7.635 4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.954 -6.713 3.721 1.00 0.00 H new ATOM 0 HG CYS A 66 5.240 -9.436 3.033 1.00 0.00 H new ATOM 900 N THR A 67 6.294 -4.510 5.869 1.00 0.00 N ATOM 901 CA THR A 67 6.275 -3.054 5.789 1.00 0.00 C ATOM 902 C THR A 67 6.535 -2.579 4.365 1.00 0.00 C ATOM 903 O THR A 67 7.557 -2.912 3.764 1.00 0.00 O ATOM 904 CB THR A 67 7.324 -2.427 6.727 1.00 0.00 C ATOM 905 OG1 THR A 67 7.023 -2.755 8.088 1.00 0.00 O ATOM 906 CG2 THR A 67 7.363 -0.916 6.561 1.00 0.00 C ATOM 0 H THR A 67 7.215 -4.911 6.045 1.00 0.00 H new ATOM 0 HA THR A 67 5.281 -2.733 6.100 1.00 0.00 H new ATOM 0 HB THR A 67 8.302 -2.831 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.695 -2.354 8.678 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.111 -0.495 7.233 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.621 -0.670 5.531 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.385 -0.498 6.800 1.00 0.00 H new ATOM 914 N VAL A 68 5.604 -1.796 3.828 1.00 0.00 N ATOM 915 CA VAL A 68 5.733 -1.272 2.474 1.00 0.00 C ATOM 916 C VAL A 68 5.607 0.247 2.457 1.00 0.00 C ATOM 917 O VAL A 68 4.973 0.837 3.332 1.00 0.00 O ATOM 918 CB VAL A 68 4.671 -1.875 1.535 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.913 -1.432 0.100 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.666 -3.392 1.640 1.00 0.00 C ATOM 0 H VAL A 68 4.752 -1.511 4.311 1.00 0.00 H new ATOM 0 HA VAL A 68 6.724 -1.555 2.119 1.00 0.00 H new ATOM 0 HB VAL A 68 3.691 -1.510 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.153 -1.868 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.860 -0.345 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.899 -1.765 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.910 -3.801 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.646 -3.779 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.439 -3.685 2.665 1.00 0.00 H new ATOM 930 N SER A 69 6.216 0.875 1.457 1.00 0.00 N ATOM 931 CA SER A 69 6.175 2.327 1.328 1.00 0.00 C ATOM 932 C SER A 69 6.160 2.742 -0.140 1.00 0.00 C ATOM 933 O SER A 69 6.994 2.301 -0.931 1.00 0.00 O ATOM 934 CB SER A 69 7.377 2.957 2.035 1.00 0.00 C ATOM 935 OG SER A 69 7.558 2.401 3.326 1.00 0.00 O ATOM 0 H SER A 69 6.744 0.401 0.724 1.00 0.00 H new ATOM 0 HA SER A 69 5.258 2.683 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.276 2.801 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.231 4.034 2.117 1.00 0.00 H new ATOM 0 HG SER A 69 8.477 2.563 3.626 1.00 0.00 H new ATOM 941 N TYR A 70 5.204 3.593 -0.497 1.00 0.00 N ATOM 942 CA TYR A 70 5.077 4.067 -1.871 1.00 0.00 C ATOM 943 C TYR A 70 5.285 5.576 -1.948 1.00 0.00 C ATOM 944 O TYR A 70 4.729 6.333 -1.150 1.00 0.00 O ATOM 945 CB TYR A 70 3.703 3.700 -2.433 1.00 0.00 C ATOM 946 CG TYR A 70 2.584 4.576 -1.916 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.383 5.853 -2.424 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.728 4.126 -0.918 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.362 6.657 -1.954 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.704 4.922 -0.443 1.00 0.00 C ATOM 951 CZ TYR A 70 0.525 6.187 -0.964 1.00 0.00 C ATOM 952 OH TYR A 70 -0.493 6.983 -0.493 1.00 0.00 O ATOM 0 H TYR A 70 4.506 3.969 0.145 1.00 0.00 H new ATOM 0 HA TYR A 70 5.848 3.582 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.734 3.769 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.484 2.661 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.036 6.224 -3.200 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.866 3.137 -0.507 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.220 7.648 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.047 4.556 0.332 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.822 6.625 0.358 1.00 0.00 H new ATOM 962 N LEU A 71 6.088 6.007 -2.914 1.00 0.00 N ATOM 963 CA LEU A 71 6.370 7.427 -3.097 1.00 0.00 C ATOM 964 C LEU A 71 5.692 7.958 -4.356 1.00 0.00 C ATOM 965 O LEU A 71 6.167 7.765 -5.476 1.00 0.00 O ATOM 966 CB LEU A 71 7.880 7.661 -3.180 1.00 0.00 C ATOM 967 CG LEU A 71 8.319 9.065 -3.597 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.484 9.957 -2.377 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.615 9.003 -4.393 1.00 0.00 C ATOM 0 H LEU A 71 6.555 5.394 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 71 5.972 7.965 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.316 7.440 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.300 6.946 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 71 7.544 9.494 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.797 10.952 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.535 10.027 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.239 9.533 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.913 10.011 -4.682 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.397 8.555 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.464 8.399 -5.288 1.00 0.00 H new ATOM 981 N PRO A 72 4.556 8.646 -4.171 1.00 0.00 N ATOM 982 CA PRO A 72 3.789 9.222 -5.280 1.00 0.00 C ATOM 983 C PRO A 72 4.509 10.397 -5.933 1.00 0.00 C ATOM 984 O PRO A 72 5.417 10.987 -5.347 1.00 0.00 O ATOM 985 CB PRO A 72 2.496 9.693 -4.610 1.00 0.00 C ATOM 986 CG PRO A 72 2.870 9.930 -3.188 1.00 0.00 C ATOM 987 CD PRO A 72 3.932 8.915 -2.865 1.00 0.00 C ATOM 0 HA PRO A 72 3.631 8.503 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.117 10.602 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.711 8.941 -4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.243 10.944 -3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.007 9.814 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.654 9.304 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.505 8.011 -2.430 1.00 0.00 H new ATOM 995 N THR A 73 4.098 10.734 -7.152 1.00 0.00 N ATOM 996 CA THR A 73 4.704 11.837 -7.886 1.00 0.00 C ATOM 997 C THR A 73 3.716 12.984 -8.068 1.00 0.00 C ATOM 998 O THR A 73 4.112 14.144 -8.187 1.00 0.00 O ATOM 999 CB THR A 73 5.206 11.384 -9.269 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.980 10.186 -9.140 1.00 0.00 O ATOM 1001 CG2 THR A 73 6.049 12.470 -9.922 1.00 0.00 C ATOM 0 H THR A 73 3.347 10.258 -7.652 1.00 0.00 H new ATOM 0 HA THR A 73 5.553 12.181 -7.295 1.00 0.00 H new ATOM 0 HB THR A 73 4.339 11.191 -9.900 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.294 9.903 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.392 12.127 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.449 13.372 -10.045 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.910 12.690 -9.291 1.00 0.00 H new ATOM 1009 N ALA A 74 2.429 12.654 -8.088 1.00 0.00 N ATOM 1010 CA ALA A 74 1.385 13.657 -8.252 1.00 0.00 C ATOM 1011 C ALA A 74 0.229 13.410 -7.288 1.00 0.00 C ATOM 1012 O ALA A 74 -0.101 12.272 -6.957 1.00 0.00 O ATOM 1013 CB ALA A 74 0.884 13.667 -9.689 1.00 0.00 C ATOM 0 H ALA A 74 2.084 11.699 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 74 1.813 14.632 -8.021 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.104 14.421 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.710 13.900 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.478 12.687 -9.940 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.400 14.501 -6.826 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.528 14.428 -5.893 1.00 0.00 C ATOM 1021 C PRO A 75 -2.784 13.860 -6.546 1.00 0.00 C ATOM 1022 O PRO A 75 -3.079 14.150 -7.704 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.750 15.888 -5.489 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.213 16.682 -6.630 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.059 15.889 -7.179 1.00 0.00 C ATOM 0 HA PRO A 75 -1.319 13.766 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.807 16.097 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.229 16.126 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.977 16.837 -7.391 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.887 17.668 -6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.040 16.017 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.887 16.196 -6.734 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.521 13.047 -5.794 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.736 12.451 -6.316 1.00 0.00 C ATOM 1035 C GLY A 76 -5.122 11.182 -5.583 1.00 0.00 C ATOM 1036 O GLY A 76 -4.511 10.831 -4.573 1.00 0.00 O ATOM 0 H GLY A 76 -3.297 12.791 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.551 13.171 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.602 12.229 -7.375 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.138 10.494 -6.090 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.605 9.256 -5.475 1.00 0.00 C ATOM 1042 C ASP A 77 -5.826 8.058 -6.007 1.00 0.00 C ATOM 1043 O ASP A 77 -6.006 7.645 -7.153 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.100 9.064 -5.737 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.515 9.552 -7.111 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.152 8.893 -8.108 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -9.202 10.592 -7.190 1.00 0.00 O ATOM 0 H ASP A 77 -6.654 10.772 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.438 9.328 -4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.350 8.008 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.670 9.598 -4.977 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.958 7.504 -5.168 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.147 6.355 -5.555 1.00 0.00 C ATOM 1054 C TYR A 78 -4.872 5.048 -5.245 1.00 0.00 C ATOM 1055 O TYR A 78 -5.562 4.933 -4.232 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.800 6.388 -4.831 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.807 7.350 -5.443 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.854 8.707 -5.150 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.823 6.902 -6.315 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -0.949 9.590 -5.707 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.087 7.777 -6.876 1.00 0.00 C ATOM 1062 CZ TYR A 78 0.019 9.120 -6.570 1.00 0.00 C ATOM 1063 OH TYR A 78 0.923 9.996 -7.126 1.00 0.00 O ATOM 0 H TYR A 78 -4.798 7.832 -4.215 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.975 6.409 -6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.964 6.662 -3.789 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.371 5.386 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.611 9.078 -4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.768 5.851 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.999 10.642 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.847 7.411 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 78 0.779 10.892 -6.757 1.00 0.00 H new ATOM 1073 N SER A 79 -4.709 4.066 -6.125 1.00 0.00 N ATOM 1074 CA SER A 79 -5.349 2.767 -5.949 1.00 0.00 C ATOM 1075 C SER A 79 -4.320 1.698 -5.593 1.00 0.00 C ATOM 1076 O SER A 79 -3.574 1.229 -6.454 1.00 0.00 O ATOM 1077 CB SER A 79 -6.098 2.367 -7.221 1.00 0.00 C ATOM 1078 OG SER A 79 -7.008 3.379 -7.616 1.00 0.00 O ATOM 0 H SER A 79 -4.139 4.145 -6.967 1.00 0.00 H new ATOM 0 HA SER A 79 -6.061 2.849 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.385 2.181 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.637 1.435 -7.052 1.00 0.00 H new ATOM 0 HG SER A 79 -6.569 3.985 -8.249 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.287 1.318 -4.321 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.351 0.304 -3.851 1.00 0.00 C ATOM 1086 C ILE A 80 -3.935 -1.096 -4.005 1.00 0.00 C ATOM 1087 O ILE A 80 -4.710 -1.553 -3.164 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.970 0.529 -2.376 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.329 1.907 -2.197 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -2.027 -0.565 -1.899 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.570 2.513 -0.832 1.00 0.00 C ATOM 0 H ILE A 80 -4.897 1.697 -3.597 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.456 0.392 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.877 0.489 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.255 1.824 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.719 2.582 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.767 -0.392 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.516 -1.534 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.121 -0.554 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.087 3.489 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.642 2.629 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.155 1.859 -0.065 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.556 -1.774 -5.084 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.040 -3.123 -5.347 1.00 0.00 C ATOM 1105 C ILE A 81 -3.252 -4.155 -4.547 1.00 0.00 C ATOM 1106 O ILE A 81 -2.035 -4.270 -4.692 1.00 0.00 O ATOM 1107 CB ILE A 81 -3.950 -3.472 -6.844 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.755 -2.469 -7.673 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.447 -4.889 -7.089 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.211 -2.266 -9.070 1.00 0.00 C ATOM 0 H ILE A 81 -2.915 -1.411 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.085 -3.149 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.906 -3.416 -7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.788 -2.811 -7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.770 -1.510 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.377 -5.120 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.835 -5.592 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.485 -4.971 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.831 -1.543 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.188 -1.894 -9.012 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.222 -3.215 -9.606 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.954 -4.906 -3.705 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.321 -5.931 -2.884 1.00 0.00 C ATOM 1124 C VAL A 82 -4.087 -7.247 -2.961 1.00 0.00 C ATOM 1125 O VAL A 82 -5.087 -7.436 -2.268 1.00 0.00 O ATOM 1126 CB VAL A 82 -3.224 -5.491 -1.411 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.472 -6.528 -0.592 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.555 -4.129 -1.306 1.00 0.00 C ATOM 0 H VAL A 82 -4.962 -4.824 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.315 -6.076 -3.278 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.233 -5.407 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.414 -6.200 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.997 -7.482 -0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.465 -6.647 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.495 -3.833 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.551 -4.184 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.140 -3.393 -1.858 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.611 -8.154 -3.807 1.00 0.00 N ATOM 1139 CA ARG A 83 -4.252 -9.453 -3.975 1.00 0.00 C ATOM 1140 C ARG A 83 -3.530 -10.524 -3.162 1.00 0.00 C ATOM 1141 O ARG A 83 -2.408 -10.317 -2.700 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.274 -9.848 -5.453 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.854 -8.775 -6.360 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.856 -9.218 -7.815 1.00 0.00 C ATOM 1145 NE ARG A 83 -4.935 -8.084 -8.732 1.00 0.00 N ATOM 1146 CZ ARG A 83 -4.514 -8.127 -9.991 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -3.987 -9.241 -10.480 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -4.619 -7.054 -10.764 1.00 0.00 N ATOM 0 H ARG A 83 -2.784 -8.014 -4.387 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.277 -9.374 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.258 -10.074 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.856 -10.763 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.872 -8.544 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.274 -7.858 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.951 -9.789 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.700 -9.885 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.335 -7.212 -8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.904 -10.068 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.665 -9.271 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.023 -6.195 -10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.295 -7.088 -11.731 1.00 0.00 H new ATOM 1162 N PHE A 84 -4.182 -11.670 -2.992 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.603 -12.773 -2.234 1.00 0.00 C ATOM 1164 C PHE A 84 -4.045 -14.117 -2.806 1.00 0.00 C ATOM 1165 O PHE A 84 -5.201 -14.516 -2.659 1.00 0.00 O ATOM 1166 CB PHE A 84 -4.007 -12.676 -0.761 1.00 0.00 C ATOM 1167 CG PHE A 84 -3.290 -13.656 0.123 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.980 -13.427 0.514 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.926 -14.805 0.563 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -1.318 -14.327 1.328 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -3.269 -15.708 1.377 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.963 -15.470 1.759 1.00 0.00 C ATOM 0 H PHE A 84 -5.111 -11.859 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.518 -12.703 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.810 -11.665 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.081 -12.840 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.471 -12.535 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.947 -14.997 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.298 -14.137 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.776 -16.600 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.447 -16.176 2.393 1.00 0.00 H new ATOM 1182 N ASP A 85 -3.118 -14.809 -3.459 1.00 0.00 N ATOM 1183 CA ASP A 85 -3.411 -16.108 -4.053 1.00 0.00 C ATOM 1184 C ASP A 85 -4.467 -15.980 -5.146 1.00 0.00 C ATOM 1185 O ASP A 85 -5.412 -16.767 -5.206 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.887 -17.089 -2.980 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.777 -18.533 -3.426 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -2.655 -19.081 -3.395 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -4.814 -19.117 -3.805 1.00 0.00 O ATOM 0 H ASP A 85 -2.157 -14.492 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.494 -16.489 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.298 -16.946 -2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.923 -16.869 -2.725 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.301 -14.983 -6.009 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.240 -14.751 -7.100 1.00 0.00 C ATOM 1196 C ASP A 86 -6.620 -14.388 -6.562 1.00 0.00 C ATOM 1197 O ASP A 86 -7.641 -14.841 -7.080 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.337 -15.992 -7.990 1.00 0.00 C ATOM 1199 CG ASP A 86 -3.977 -16.496 -8.430 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -3.305 -15.788 -9.210 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -3.583 -17.598 -7.995 1.00 0.00 O ATOM 0 H ASP A 86 -3.524 -14.323 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.870 -13.915 -7.693 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.857 -16.783 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.937 -15.759 -8.870 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.644 -13.566 -5.517 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.898 -13.140 -4.907 1.00 0.00 C ATOM 1208 C LYS A 87 -7.744 -11.777 -4.241 1.00 0.00 C ATOM 1209 O LYS A 87 -6.889 -11.592 -3.374 1.00 0.00 O ATOM 1210 CB LYS A 87 -8.365 -14.173 -3.879 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.579 -15.559 -4.462 1.00 0.00 C ATOM 1212 CD LYS A 87 -9.222 -16.495 -3.452 1.00 0.00 C ATOM 1213 CE LYS A 87 -10.730 -16.304 -3.396 1.00 0.00 C ATOM 1214 NZ LYS A 87 -11.379 -17.286 -2.483 1.00 0.00 N ATOM 0 H LYS A 87 -5.809 -13.182 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.647 -13.056 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.628 -14.235 -3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.297 -13.830 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.210 -15.489 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.623 -15.971 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.995 -17.528 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.795 -16.316 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.956 -15.292 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.147 -16.408 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.406 -17.123 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.185 -18.252 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.000 -17.169 -1.522 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.576 -10.825 -4.651 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.533 -9.479 -4.092 1.00 0.00 C ATOM 1230 C HIS A 88 -8.983 -9.481 -2.634 1.00 0.00 C ATOM 1231 O HIS A 88 -9.971 -10.126 -2.280 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.416 -8.536 -4.909 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.663 -7.749 -5.937 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.394 -6.403 -5.807 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.119 -8.128 -7.117 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.719 -5.987 -6.863 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.538 -7.014 -7.673 1.00 0.00 N ATOM 0 H HIS A 88 -9.288 -10.961 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.502 -9.128 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.192 -9.118 -5.406 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.919 -7.846 -4.232 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.673 -5.820 -5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.138 -9.121 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.374 -4.978 -7.035 1.00 0.00 H new ATOM 1246 N ILE A 89 -8.251 -8.758 -1.793 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.576 -8.677 -0.374 1.00 0.00 C ATOM 1248 C ILE A 89 -9.727 -7.708 -0.128 1.00 0.00 C ATOM 1249 O ILE A 89 -9.955 -6.769 -0.891 1.00 0.00 O ATOM 1250 CB ILE A 89 -7.358 -8.232 0.458 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -7.081 -6.744 0.240 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -6.137 -9.063 0.094 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -6.086 -6.165 1.221 1.00 0.00 C ATOM 0 H ILE A 89 -7.429 -8.220 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.874 -9.678 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.579 -8.390 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.708 -6.597 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.018 -6.193 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.284 -8.737 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.340 -10.115 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.911 -8.933 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.938 -5.107 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.466 -6.280 2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.136 -6.690 1.128 1.00 0.00 H new ATOM 1265 N PRO A 90 -10.470 -7.937 0.965 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.609 -7.093 1.339 1.00 0.00 C ATOM 1267 C PRO A 90 -11.175 -5.707 1.805 1.00 0.00 C ATOM 1268 O PRO A 90 -10.941 -5.485 2.992 1.00 0.00 O ATOM 1269 CB PRO A 90 -12.259 -7.864 2.491 1.00 0.00 C ATOM 1270 CG PRO A 90 -11.155 -8.680 3.071 1.00 0.00 C ATOM 1271 CD PRO A 90 -10.255 -9.037 1.920 1.00 0.00 C ATOM 0 HA PRO A 90 -12.277 -6.914 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.682 -7.186 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.073 -8.495 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.612 -8.118 3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.544 -9.576 3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.212 -9.102 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.519 -10.002 1.488 1.00 0.00 H new ATOM 1279 N GLY A 91 -11.070 -4.776 0.861 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.665 -3.423 1.195 1.00 0.00 C ATOM 1281 C GLY A 91 -9.794 -2.798 0.123 1.00 0.00 C ATOM 1282 O GLY A 91 -9.518 -1.599 0.160 1.00 0.00 O ATOM 0 H GLY A 91 -11.258 -4.935 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.552 -2.807 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.122 -3.432 2.140 1.00 0.00 H new ATOM 1286 N SER A 92 -9.359 -3.612 -0.833 1.00 0.00 N ATOM 1287 CA SER A 92 -8.509 -3.132 -1.917 1.00 0.00 C ATOM 1288 C SER A 92 -9.255 -3.167 -3.248 1.00 0.00 C ATOM 1289 O SER A 92 -10.190 -3.944 -3.445 1.00 0.00 O ATOM 1290 CB SER A 92 -7.238 -3.979 -2.009 1.00 0.00 C ATOM 1291 OG SER A 92 -6.795 -4.089 -3.351 1.00 0.00 O ATOM 0 H SER A 92 -9.581 -4.607 -0.879 1.00 0.00 H new ATOM 0 HA SER A 92 -8.234 -2.099 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.454 -3.531 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.429 -4.972 -1.603 1.00 0.00 H new ATOM 0 HG SER A 92 -6.931 -5.007 -3.666 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.832 -2.305 -4.184 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.721 -1.375 -3.961 1.00 0.00 C ATOM 1299 C PRO A 93 -8.077 -0.274 -2.968 1.00 0.00 C ATOM 1300 O PRO A 93 -9.188 0.256 -2.986 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.470 -0.782 -5.349 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.774 -0.912 -6.058 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.407 -2.170 -5.533 1.00 0.00 C ATOM 0 HA PRO A 93 -6.852 -1.874 -3.532 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.157 0.260 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.679 -1.320 -5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.409 -0.047 -5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.628 -0.970 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.494 -2.090 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.170 -3.030 -6.159 1.00 0.00 H new ATOM 1311 N PHE A 94 -7.127 0.066 -2.102 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.341 1.104 -1.101 1.00 0.00 C ATOM 1313 C PHE A 94 -7.111 2.490 -1.697 1.00 0.00 C ATOM 1314 O PHE A 94 -5.978 2.871 -1.994 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.411 0.889 0.094 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.692 -0.376 0.853 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -6.323 -1.607 0.336 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -7.326 -0.334 2.084 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -6.580 -2.773 1.032 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -7.586 -1.497 2.785 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.213 -2.718 2.258 1.00 0.00 C ATOM 0 H PHE A 94 -6.202 -0.363 -2.074 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.375 1.041 -0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.379 0.871 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.502 1.738 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.828 -1.656 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.620 0.618 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.286 -3.726 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.080 -1.451 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.416 -3.628 2.804 1.00 0.00 H new ATOM 1331 N THR A 95 -8.194 3.240 -1.870 1.00 0.00 N ATOM 1332 CA THR A 95 -8.112 4.583 -2.432 1.00 0.00 C ATOM 1333 C THR A 95 -7.415 5.539 -1.471 1.00 0.00 C ATOM 1334 O THR A 95 -8.025 6.037 -0.525 1.00 0.00 O ATOM 1335 CB THR A 95 -9.509 5.138 -2.767 1.00 0.00 C ATOM 1336 OG1 THR A 95 -10.213 4.217 -3.609 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.403 6.488 -3.461 1.00 0.00 C ATOM 0 H THR A 95 -9.139 2.941 -1.629 1.00 0.00 H new ATOM 0 HA THR A 95 -7.530 4.506 -3.350 1.00 0.00 H new ATOM 0 HB THR A 95 -10.057 5.269 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.101 4.576 -3.816 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.402 6.860 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.893 7.195 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.838 6.378 -4.387 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.135 5.792 -1.720 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.356 6.692 -0.878 1.00 0.00 C ATOM 1347 C ALA A 96 -5.426 8.125 -1.393 1.00 0.00 C ATOM 1348 O ALA A 96 -5.205 8.382 -2.577 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.909 6.225 -0.804 1.00 0.00 C ATOM 0 H ALA A 96 -5.615 5.387 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.784 6.673 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.339 6.906 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.872 5.221 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.479 6.213 -1.805 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.736 9.056 -0.498 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.836 10.465 -0.861 1.00 0.00 C ATOM 1357 C LYS A 97 -4.490 11.165 -0.698 1.00 0.00 C ATOM 1358 O LYS A 97 -4.043 11.416 0.422 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.893 11.161 -0.002 1.00 0.00 C ATOM 1360 CG LYS A 97 -7.627 12.277 -0.726 1.00 0.00 C ATOM 1361 CD LYS A 97 -6.867 13.589 -0.645 1.00 0.00 C ATOM 1362 CE LYS A 97 -5.941 13.771 -1.838 1.00 0.00 C ATOM 1363 NZ LYS A 97 -6.613 14.488 -2.957 1.00 0.00 N ATOM 0 H LYS A 97 -5.923 8.860 0.485 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.132 10.525 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.618 10.421 0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.414 11.570 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.769 12.002 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.619 12.403 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.573 14.418 -0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.285 13.617 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.056 14.328 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.599 12.796 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.949 14.592 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.443 13.944 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.917 15.429 -2.634 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.852 11.479 -1.820 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.559 12.153 -1.799 1.00 0.00 C ATOM 1379 C ILE A 98 -2.705 13.631 -2.145 1.00 0.00 C ATOM 1380 O ILE A 98 -3.159 13.985 -3.234 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.570 11.502 -2.784 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.356 10.030 -2.427 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.246 12.252 -2.777 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.665 9.824 -1.097 1.00 0.00 C ATOM 0 H ILE A 98 -4.208 11.278 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.168 12.056 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.991 11.555 -3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.322 9.525 -2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.765 9.557 -3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.443 11.781 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.413 13.288 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.182 12.226 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.547 8.757 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.316 10.299 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.265 10.267 -0.303 1.00 0.00 H new ATOM 1396 N THR A 99 -2.313 14.493 -1.211 1.00 0.00 N ATOM 1397 CA THR A 99 -2.399 15.933 -1.416 1.00 0.00 C ATOM 1398 C THR A 99 -1.083 16.492 -1.945 1.00 0.00 C ATOM 1399 O THR A 99 -0.024 15.892 -1.764 1.00 0.00 O ATOM 1400 CB THR A 99 -2.767 16.666 -0.112 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.826 16.338 0.916 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.171 16.292 0.340 1.00 0.00 C ATOM 0 H THR A 99 -1.933 14.218 -0.305 1.00 0.00 H new ATOM 0 HA THR A 99 -3.185 16.101 -2.152 1.00 0.00 H new ATOM 0 HB THR A 99 -2.737 17.739 -0.302 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.066 16.809 1.741 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.409 16.821 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.888 16.569 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.223 15.217 0.515 1.00 0.00 H new