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= -1.82 K(o=-1.8,f=-0.029) 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 USER MOD Single : A 22 SER OG : rot 75:sc= 0.436 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 MET CE :methyl -153:sc= -0.287 (180deg=-1.15) USER MOD Single : A 27 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.091) USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= -1.81 (180deg=-2.93!) 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= -0.236 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.031 (180deg=-0.284) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 42:sc= 0.89 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=0.000118 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 5:sc= 1.12 USER MOD Single : A 69 SER OG : rot 160:sc= -1.96! USER MOD Single : A 70 TYR OH : rot -152:sc= -1.26! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -32:sc= 1.59 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00434) USER MOD Single : A 88 HIS : no HE2:sc= -2.59! K(o=-2.6!,f=-1.9) USER MOD Single : A 92 SER OG : rot -105:sc= -0.502 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= -0.336 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.098 -8.033 5.642 1.00 0.00 N ATOM 179 CA SER A 15 -5.644 -6.684 5.727 1.00 0.00 C ATOM 180 C SER A 15 -4.532 -5.661 5.939 1.00 0.00 C ATOM 181 O SER A 15 -3.578 -5.908 6.676 1.00 0.00 O ATOM 182 CB SER A 15 -6.660 -6.593 6.867 1.00 0.00 C ATOM 183 OG SER A 15 -7.348 -5.355 6.839 1.00 0.00 O ATOM 0 HA SER A 15 -6.145 -6.461 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.375 -7.412 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.150 -6.707 7.823 1.00 0.00 H new ATOM 0 HG SER A 15 -7.993 -5.322 7.576 1.00 0.00 H new ATOM 189 N ALA A 16 -4.663 -4.510 5.286 1.00 0.00 N ATOM 190 CA ALA A 16 -3.672 -3.448 5.403 1.00 0.00 C ATOM 191 C ALA A 16 -4.222 -2.269 6.198 1.00 0.00 C ATOM 192 O ALA A 16 -5.412 -1.960 6.125 1.00 0.00 O ATOM 193 CB ALA A 16 -3.220 -2.993 4.024 1.00 0.00 C ATOM 0 H ALA A 16 -5.446 -4.290 4.671 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.812 -3.846 5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.480 -2.199 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.778 -3.834 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.078 -2.619 3.465 1.00 0.00 H new ATOM 199 N TYR A 17 -3.350 -1.614 6.956 1.00 0.00 N ATOM 200 CA TYR A 17 -3.750 -0.470 7.767 1.00 0.00 C ATOM 201 C TYR A 17 -2.558 0.439 8.052 1.00 0.00 C ATOM 202 O TYR A 17 -1.498 -0.022 8.473 1.00 0.00 O ATOM 203 CB TYR A 17 -4.371 -0.943 9.083 1.00 0.00 C ATOM 204 CG TYR A 17 -3.351 -1.316 10.134 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.736 -0.341 10.910 1.00 0.00 C ATOM 206 CD2 TYR A 17 -3.001 -2.643 10.352 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.803 -0.676 11.872 1.00 0.00 C ATOM 208 CE2 TYR A 17 -2.070 -2.988 11.312 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.474 -2.001 12.070 1.00 0.00 C ATOM 210 OH TYR A 17 -0.545 -2.341 13.026 1.00 0.00 O ATOM 0 H TYR A 17 -2.361 -1.856 7.026 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.492 0.099 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.013 -0.155 9.476 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.008 -1.805 8.885 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.992 0.697 10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.465 -3.418 9.760 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.334 0.095 12.466 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.810 -4.024 11.469 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.429 -3.314 13.038 1.00 0.00 H new ATOM 220 N GLY A 18 -2.742 1.735 7.820 1.00 0.00 N ATOM 221 CA GLY A 18 -1.675 2.690 8.057 1.00 0.00 C ATOM 222 C GLY A 18 -1.993 4.064 7.502 1.00 0.00 C ATOM 223 O GLY A 18 -3.028 4.278 6.871 1.00 0.00 O ATOM 0 H GLY A 18 -3.611 2.141 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.493 2.768 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.755 2.322 7.603 1.00 0.00 H new ATOM 227 N PRO A 19 -1.088 5.026 7.739 1.00 0.00 N ATOM 228 CA PRO A 19 -1.255 6.404 7.267 1.00 0.00 C ATOM 229 C PRO A 19 -1.125 6.518 5.752 1.00 0.00 C ATOM 230 O PRO A 19 -1.938 7.167 5.097 1.00 0.00 O ATOM 231 CB PRO A 19 -0.117 7.157 7.960 1.00 0.00 C ATOM 232 CG PRO A 19 0.919 6.119 8.223 1.00 0.00 C ATOM 233 CD PRO A 19 0.168 4.842 8.485 1.00 0.00 C ATOM 0 HA PRO A 19 -2.246 6.796 7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.273 7.954 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.456 7.622 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.588 6.010 7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.536 6.392 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.721 3.971 8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.015 4.694 9.549 1.00 0.00 H new ATOM 241 N GLY A 20 -0.096 5.881 5.202 1.00 0.00 N ATOM 242 CA GLY A 20 0.122 5.924 3.768 1.00 0.00 C ATOM 243 C GLY A 20 -1.056 5.376 2.986 1.00 0.00 C ATOM 244 O GLY A 20 -1.219 5.677 1.803 1.00 0.00 O ATOM 0 H GLY A 20 0.590 5.336 5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.310 6.953 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.016 5.351 3.522 1.00 0.00 H new ATOM 248 N LEU A 21 -1.877 4.568 3.647 1.00 0.00 N ATOM 249 CA LEU A 21 -3.046 3.975 3.006 1.00 0.00 C ATOM 250 C LEU A 21 -4.255 4.898 3.115 1.00 0.00 C ATOM 251 O LEU A 21 -5.124 4.905 2.244 1.00 0.00 O ATOM 252 CB LEU A 21 -3.366 2.620 3.639 1.00 0.00 C ATOM 253 CG LEU A 21 -2.341 1.510 3.404 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.707 0.267 4.200 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.238 1.184 1.921 1.00 0.00 C ATOM 0 H LEU A 21 -1.755 4.308 4.626 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.817 3.831 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.479 2.761 4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.330 2.283 3.259 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.368 1.863 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.966 -0.512 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.728 0.509 5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.689 -0.088 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.504 0.392 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.209 0.852 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.927 2.074 1.374 1.00 0.00 H new ATOM 267 N SER A 22 -4.301 5.679 4.190 1.00 0.00 N ATOM 268 CA SER A 22 -5.404 6.606 4.415 1.00 0.00 C ATOM 269 C SER A 22 -5.213 7.884 3.604 1.00 0.00 C ATOM 270 O SER A 22 -6.160 8.407 3.015 1.00 0.00 O ATOM 271 CB SER A 22 -5.519 6.944 5.902 1.00 0.00 C ATOM 272 OG SER A 22 -5.647 5.769 6.684 1.00 0.00 O ATOM 0 H SER A 22 -3.587 5.688 4.919 1.00 0.00 H new ATOM 0 HA SER A 22 -6.325 6.123 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.639 7.502 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.382 7.589 6.066 1.00 0.00 H new ATOM 0 HG SER A 22 -4.780 5.316 6.738 1.00 0.00 H new ATOM 278 N HIS A 23 -3.981 8.382 3.579 1.00 0.00 N ATOM 279 CA HIS A 23 -3.664 9.600 2.841 1.00 0.00 C ATOM 280 C HIS A 23 -2.157 9.836 2.804 1.00 0.00 C ATOM 281 O HIS A 23 -1.385 9.072 3.383 1.00 0.00 O ATOM 282 CB HIS A 23 -4.365 10.802 3.473 1.00 0.00 C ATOM 283 CG HIS A 23 -3.974 11.042 4.899 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.486 10.313 5.952 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.115 11.935 5.444 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.959 10.748 7.083 1.00 0.00 C ATOM 287 NE2 HIS A 23 -3.124 11.732 6.802 1.00 0.00 N ATOM 0 H HIS A 23 -3.186 7.962 4.061 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.020 9.478 1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.138 11.693 2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.443 10.652 3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.531 12.670 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.174 10.364 8.069 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.575 12.256 7.483 1.00 0.00 H new ATOM 296 N GLY A 24 -1.745 10.898 2.119 1.00 0.00 N ATOM 297 CA GLY A 24 -0.332 11.215 2.019 1.00 0.00 C ATOM 298 C GLY A 24 -0.075 12.464 1.199 1.00 0.00 C ATOM 299 O GLY A 24 -1.007 13.182 0.841 1.00 0.00 O ATOM 0 H GLY A 24 -2.365 11.545 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.079 11.350 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.195 10.374 1.569 1.00 0.00 H new ATOM 303 N MET A 25 1.194 12.724 0.904 1.00 0.00 N ATOM 304 CA MET A 25 1.572 13.896 0.121 1.00 0.00 C ATOM 305 C MET A 25 2.583 13.525 -0.959 1.00 0.00 C ATOM 306 O MET A 25 3.241 12.488 -0.878 1.00 0.00 O ATOM 307 CB MET A 25 2.155 14.978 1.032 1.00 0.00 C ATOM 308 CG MET A 25 1.099 15.851 1.691 1.00 0.00 C ATOM 309 SD MET A 25 1.700 16.657 3.188 1.00 0.00 S ATOM 310 CE MET A 25 2.038 15.236 4.225 1.00 0.00 C ATOM 0 H MET A 25 1.978 12.140 1.195 1.00 0.00 H new ATOM 0 HA MET A 25 0.676 14.283 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.758 14.503 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.825 15.610 0.449 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.767 16.610 0.983 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.230 15.241 1.936 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.948 15.521 5.273 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.323 14.444 4.002 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.049 14.877 4.032 1.00 0.00 H new ATOM 320 N VAL A 26 2.700 14.379 -1.971 1.00 0.00 N ATOM 321 CA VAL A 26 3.631 14.142 -3.068 1.00 0.00 C ATOM 322 C VAL A 26 5.073 14.135 -2.572 1.00 0.00 C ATOM 323 O VAL A 26 5.432 14.884 -1.665 1.00 0.00 O ATOM 324 CB VAL A 26 3.484 15.207 -4.170 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.481 14.958 -5.291 1.00 0.00 C ATOM 326 CG2 VAL A 26 2.060 15.225 -4.706 1.00 0.00 C ATOM 0 H VAL A 26 2.162 15.241 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 26 3.387 13.164 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 26 3.698 16.184 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.362 15.721 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.495 15.000 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.302 13.974 -5.725 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.974 15.983 -5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.816 14.248 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.369 15.457 -3.895 1.00 0.00 H new ATOM 336 N ASN A 27 5.896 13.284 -3.175 1.00 0.00 N ATOM 337 CA ASN A 27 7.301 13.179 -2.795 1.00 0.00 C ATOM 338 C ASN A 27 7.440 12.671 -1.364 1.00 0.00 C ATOM 339 O ASN A 27 8.440 12.933 -0.694 1.00 0.00 O ATOM 340 CB ASN A 27 7.991 14.537 -2.936 1.00 0.00 C ATOM 341 CG ASN A 27 8.587 14.743 -4.315 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.652 14.211 -4.629 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.900 15.517 -5.147 1.00 0.00 N ATOM 0 H ASN A 27 5.615 12.657 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 27 7.781 12.464 -3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.271 15.330 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.778 14.621 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.251 15.691 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.021 15.938 -4.844 1.00 0.00 H new ATOM 350 N LYS A 28 6.432 11.941 -0.900 1.00 0.00 N ATOM 351 CA LYS A 28 6.441 11.393 0.451 1.00 0.00 C ATOM 352 C LYS A 28 6.115 9.903 0.437 1.00 0.00 C ATOM 353 O LYS A 28 5.062 9.478 -0.038 1.00 0.00 O ATOM 354 CB LYS A 28 5.435 12.137 1.333 1.00 0.00 C ATOM 355 CG LYS A 28 5.598 13.647 1.301 1.00 0.00 C ATOM 356 CD LYS A 28 6.755 14.101 2.175 1.00 0.00 C ATOM 357 CE LYS A 28 6.647 13.533 3.582 1.00 0.00 C ATOM 358 NZ LYS A 28 7.393 12.252 3.722 1.00 0.00 N ATOM 0 H LYS A 28 5.597 11.715 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 28 7.442 11.524 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.425 11.882 1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.540 11.790 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.766 13.974 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.677 14.121 1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.697 13.786 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.772 15.190 2.221 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.034 14.259 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.598 13.371 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.902 12.244 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.724 11.456 3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.074 12.160 2.942 1.00 0.00 H new ATOM 372 N PRO A 29 7.039 9.089 0.970 1.00 0.00 N ATOM 373 CA PRO A 29 6.871 7.634 1.032 1.00 0.00 C ATOM 374 C PRO A 29 5.789 7.217 2.022 1.00 0.00 C ATOM 375 O PRO A 29 6.019 7.189 3.231 1.00 0.00 O ATOM 376 CB PRO A 29 8.242 7.139 1.498 1.00 0.00 C ATOM 377 CG PRO A 29 8.830 8.290 2.239 1.00 0.00 C ATOM 378 CD PRO A 29 8.317 9.527 1.555 1.00 0.00 C ATOM 0 HA PRO A 29 6.555 7.219 0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.149 6.262 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.867 6.852 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.533 8.272 3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.919 8.254 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.176 10.347 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.009 9.879 0.790 1.00 0.00 H new ATOM 386 N ALA A 30 4.610 6.894 1.502 1.00 0.00 N ATOM 387 CA ALA A 30 3.493 6.476 2.341 1.00 0.00 C ATOM 388 C ALA A 30 3.696 5.054 2.856 1.00 0.00 C ATOM 389 O ALA A 30 3.486 4.083 2.128 1.00 0.00 O ATOM 390 CB ALA A 30 2.186 6.579 1.570 1.00 0.00 C ATOM 0 H ALA A 30 4.403 6.914 0.503 1.00 0.00 H new ATOM 0 HA ALA A 30 3.447 7.143 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.361 6.264 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.029 7.611 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.230 5.936 0.691 1.00 0.00 H new ATOM 396 N THR A 31 4.105 4.938 4.115 1.00 0.00 N ATOM 397 CA THR A 31 4.337 3.636 4.726 1.00 0.00 C ATOM 398 C THR A 31 3.091 3.137 5.448 1.00 0.00 C ATOM 399 O THR A 31 2.347 3.921 6.038 1.00 0.00 O ATOM 400 CB THR A 31 5.509 3.685 5.725 1.00 0.00 C ATOM 401 OG1 THR A 31 5.110 4.374 6.915 1.00 0.00 O ATOM 402 CG2 THR A 31 6.715 4.381 5.111 1.00 0.00 C ATOM 0 H THR A 31 4.282 5.731 4.732 1.00 0.00 H new ATOM 0 HA THR A 31 4.586 2.948 3.918 1.00 0.00 H new ATOM 0 HB THR A 31 5.788 2.661 5.974 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.860 4.399 7.545 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.530 4.404 5.835 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.035 3.838 4.222 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.446 5.401 4.836 1.00 0.00 H new ATOM 410 N PHE A 32 2.868 1.828 5.397 1.00 0.00 N ATOM 411 CA PHE A 32 1.710 1.224 6.046 1.00 0.00 C ATOM 412 C PHE A 32 2.020 -0.201 6.495 1.00 0.00 C ATOM 413 O PHE A 32 3.038 -0.778 6.111 1.00 0.00 O ATOM 414 CB PHE A 32 0.510 1.222 5.097 1.00 0.00 C ATOM 415 CG PHE A 32 0.757 0.471 3.820 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.446 1.064 2.774 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.300 -0.828 3.665 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.674 0.376 1.597 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.526 -1.521 2.491 1.00 0.00 C ATOM 420 CZ PHE A 32 1.214 -0.919 1.456 1.00 0.00 C ATOM 0 H PHE A 32 3.474 1.165 4.913 1.00 0.00 H new ATOM 0 HA PHE A 32 1.467 1.819 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.346 0.782 5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.244 2.252 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.809 2.076 2.880 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.239 -1.304 4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.211 0.850 0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.165 -2.533 2.383 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.392 -1.460 0.538 1.00 0.00 H new ATOM 430 N THR A 33 1.134 -0.764 7.311 1.00 0.00 N ATOM 431 CA THR A 33 1.313 -2.120 7.814 1.00 0.00 C ATOM 432 C THR A 33 0.375 -3.095 7.111 1.00 0.00 C ATOM 433 O THR A 33 -0.754 -2.746 6.766 1.00 0.00 O ATOM 434 CB THR A 33 1.066 -2.193 9.333 1.00 0.00 C ATOM 435 OG1 THR A 33 2.216 -1.717 10.040 1.00 0.00 O ATOM 436 CG2 THR A 33 0.754 -3.619 9.763 1.00 0.00 C ATOM 0 H THR A 33 0.285 -0.302 7.637 1.00 0.00 H new ATOM 0 HA THR A 33 2.346 -2.400 7.607 1.00 0.00 H new ATOM 0 HB THR A 33 0.208 -1.563 9.570 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.050 -1.765 11.005 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.583 -3.645 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.139 -3.968 9.245 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.594 -4.267 9.513 1.00 0.00 H new ATOM 444 N ILE A 34 0.850 -4.319 6.902 1.00 0.00 N ATOM 445 CA ILE A 34 0.053 -5.344 6.242 1.00 0.00 C ATOM 446 C ILE A 34 0.022 -6.630 7.062 1.00 0.00 C ATOM 447 O ILE A 34 1.063 -7.225 7.342 1.00 0.00 O ATOM 448 CB ILE A 34 0.594 -5.659 4.835 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.953 -4.365 4.102 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.428 -6.458 4.040 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.554 -4.593 2.732 1.00 0.00 C ATOM 0 H ILE A 34 1.783 -4.624 7.181 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.959 -4.948 6.153 1.00 0.00 H new ATOM 0 HB ILE A 34 1.497 -6.261 4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.056 -3.754 3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.658 -3.797 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.030 -6.672 3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.639 -7.394 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.347 -5.880 3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.784 -3.632 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.469 -5.177 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.843 -5.134 2.108 1.00 0.00 H new ATOM 463 N VAL A 35 -1.179 -7.054 7.443 1.00 0.00 N ATOM 464 CA VAL A 35 -1.346 -8.271 8.228 1.00 0.00 C ATOM 465 C VAL A 35 -1.061 -9.511 7.388 1.00 0.00 C ATOM 466 O VAL A 35 -1.859 -9.891 6.530 1.00 0.00 O ATOM 467 CB VAL A 35 -2.769 -8.373 8.808 1.00 0.00 C ATOM 468 CG1 VAL A 35 -2.929 -9.658 9.607 1.00 0.00 C ATOM 469 CG2 VAL A 35 -3.082 -7.158 9.669 1.00 0.00 C ATOM 0 H VAL A 35 -2.050 -6.573 7.221 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.630 -8.220 9.048 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.479 -8.396 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.941 -9.713 10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.750 -10.515 8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.211 -9.668 10.427 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.091 -7.247 10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.368 -7.101 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.011 -6.255 9.063 1.00 0.00 H new ATOM 479 N THR A 36 0.083 -10.140 7.640 1.00 0.00 N ATOM 480 CA THR A 36 0.474 -11.337 6.906 1.00 0.00 C ATOM 481 C THR A 36 0.863 -12.462 7.859 1.00 0.00 C ATOM 482 O THR A 36 1.379 -13.497 7.436 1.00 0.00 O ATOM 483 CB THR A 36 1.652 -11.053 5.956 1.00 0.00 C ATOM 484 OG1 THR A 36 2.717 -10.417 6.671 1.00 0.00 O ATOM 485 CG2 THR A 36 1.213 -10.170 4.798 1.00 0.00 C ATOM 0 H THR A 36 0.755 -9.840 8.347 1.00 0.00 H new ATOM 0 HA THR A 36 -0.390 -11.645 6.318 1.00 0.00 H new ATOM 0 HB THR A 36 2.003 -12.004 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.463 -10.242 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.062 -9.983 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.424 -10.671 4.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.838 -9.222 5.185 1.00 0.00 H new ATOM 493 N LYS A 37 0.613 -12.254 9.147 1.00 0.00 N ATOM 494 CA LYS A 37 0.936 -13.251 10.160 1.00 0.00 C ATOM 495 C LYS A 37 0.299 -14.596 9.822 1.00 0.00 C ATOM 496 O LYS A 37 0.946 -15.639 9.912 1.00 0.00 O ATOM 497 CB LYS A 37 0.460 -12.782 11.537 1.00 0.00 C ATOM 498 CG LYS A 37 -1.048 -12.633 11.642 1.00 0.00 C ATOM 499 CD LYS A 37 -1.467 -12.161 13.024 1.00 0.00 C ATOM 500 CE LYS A 37 -1.524 -13.315 14.013 1.00 0.00 C ATOM 501 NZ LYS A 37 -2.654 -14.240 13.722 1.00 0.00 N ATOM 0 H LYS A 37 0.187 -11.403 9.514 1.00 0.00 H new ATOM 0 HA LYS A 37 2.019 -13.375 10.179 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.800 -13.492 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.928 -11.825 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.397 -11.923 10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.525 -13.588 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.764 -11.408 13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.444 -11.682 12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.585 -13.868 13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.628 -12.922 15.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.862 -14.810 14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.496 -13.688 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.394 -14.869 12.935 1.00 0.00 H new ATOM 573 N LEU A 44 1.541 -12.666 -2.628 1.00 0.00 N ATOM 574 CA LEU A 44 0.973 -11.333 -2.458 1.00 0.00 C ATOM 575 C LEU A 44 1.450 -10.392 -3.559 1.00 0.00 C ATOM 576 O LEU A 44 2.647 -10.292 -3.828 1.00 0.00 O ATOM 577 CB LEU A 44 1.352 -10.767 -1.088 1.00 0.00 C ATOM 578 CG LEU A 44 0.611 -9.500 -0.657 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.775 -9.844 -0.134 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.410 -8.749 0.398 1.00 0.00 C ATOM 0 HA LEU A 44 -0.112 -11.417 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.178 -11.538 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.421 -10.556 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 44 0.498 -8.854 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.287 -8.930 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.348 -10.339 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.685 -10.510 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.868 -7.850 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.554 -9.388 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.381 -8.469 -0.011 1.00 0.00 H new ATOM 592 N SER A 45 0.507 -9.702 -4.192 1.00 0.00 N ATOM 593 CA SER A 45 0.831 -8.770 -5.265 1.00 0.00 C ATOM 594 C SER A 45 0.647 -7.327 -4.806 1.00 0.00 C ATOM 595 O SER A 45 -0.240 -7.026 -4.006 1.00 0.00 O ATOM 596 CB SER A 45 -0.046 -9.044 -6.489 1.00 0.00 C ATOM 597 OG SER A 45 0.408 -10.185 -7.196 1.00 0.00 O ATOM 0 H SER A 45 -0.488 -9.771 -3.980 1.00 0.00 H new ATOM 0 HA SER A 45 1.877 -8.916 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.079 -9.194 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.037 -8.176 -7.148 1.00 0.00 H new ATOM 0 HG SER A 45 -0.170 -10.340 -7.972 1.00 0.00 H new ATOM 603 N LEU A 46 1.491 -6.438 -5.318 1.00 0.00 N ATOM 604 CA LEU A 46 1.423 -5.025 -4.961 1.00 0.00 C ATOM 605 C LEU A 46 1.519 -4.144 -6.203 1.00 0.00 C ATOM 606 O LEU A 46 2.493 -4.215 -6.952 1.00 0.00 O ATOM 607 CB LEU A 46 2.544 -4.671 -3.983 1.00 0.00 C ATOM 608 CG LEU A 46 2.475 -5.344 -2.611 1.00 0.00 C ATOM 609 CD1 LEU A 46 3.870 -5.512 -2.029 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.594 -4.540 -1.666 1.00 0.00 C ATOM 0 H LEU A 46 2.230 -6.670 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 46 0.461 -4.843 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.497 -4.929 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.543 -3.591 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 46 2.033 -6.333 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.802 -5.992 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.471 -6.130 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.339 -4.534 -1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.557 -5.034 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.007 -3.538 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.587 -4.472 -2.077 1.00 0.00 H new ATOM 622 N ALA A 47 0.503 -3.315 -6.414 1.00 0.00 N ATOM 623 CA ALA A 47 0.475 -2.417 -7.563 1.00 0.00 C ATOM 624 C ALA A 47 -0.430 -1.218 -7.301 1.00 0.00 C ATOM 625 O ALA A 47 -1.536 -1.365 -6.781 1.00 0.00 O ATOM 626 CB ALA A 47 0.017 -3.165 -8.806 1.00 0.00 C ATOM 0 H ALA A 47 -0.312 -3.246 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 47 1.487 -2.046 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.001 -2.483 -9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.705 -3.985 -9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.984 -3.564 -8.642 1.00 0.00 H new ATOM 632 N VAL A 48 0.048 -0.032 -7.663 1.00 0.00 N ATOM 633 CA VAL A 48 -0.719 1.193 -7.468 1.00 0.00 C ATOM 634 C VAL A 48 -1.193 1.763 -8.800 1.00 0.00 C ATOM 635 O VAL A 48 -0.467 1.731 -9.793 1.00 0.00 O ATOM 636 CB VAL A 48 0.109 2.262 -6.730 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.740 3.489 -6.439 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.693 1.691 -5.446 1.00 0.00 C ATOM 0 H VAL A 48 0.963 0.107 -8.093 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.585 0.931 -6.860 1.00 0.00 H new ATOM 0 HB VAL A 48 0.934 2.566 -7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.138 4.233 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.105 3.910 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.587 3.205 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.275 2.460 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.115 1.358 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.339 0.846 -5.684 1.00 0.00 H new ATOM 648 N GLU A 49 -2.416 2.285 -8.812 1.00 0.00 N ATOM 649 CA GLU A 49 -2.987 2.862 -10.024 1.00 0.00 C ATOM 650 C GLU A 49 -3.614 4.223 -9.734 1.00 0.00 C ATOM 651 O GLU A 49 -4.688 4.310 -9.142 1.00 0.00 O ATOM 652 CB GLU A 49 -4.036 1.920 -10.618 1.00 0.00 C ATOM 653 CG GLU A 49 -3.444 0.684 -11.273 1.00 0.00 C ATOM 654 CD GLU A 49 -4.337 0.113 -12.357 1.00 0.00 C ATOM 655 OE1 GLU A 49 -4.396 0.710 -13.453 1.00 0.00 O ATOM 656 OE2 GLU A 49 -4.978 -0.930 -12.110 1.00 0.00 O ATOM 0 H GLU A 49 -3.029 2.320 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.182 2.999 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.721 1.610 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.625 2.465 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.474 0.934 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.270 -0.077 -10.513 1.00 0.00 H new ATOM 663 N GLY A 50 -2.933 5.284 -10.157 1.00 0.00 N ATOM 664 CA GLY A 50 -3.437 6.626 -9.935 1.00 0.00 C ATOM 665 C GLY A 50 -2.979 7.602 -11.000 1.00 0.00 C ATOM 666 O GLY A 50 -2.675 7.222 -12.131 1.00 0.00 O ATOM 0 H GLY A 50 -2.041 5.237 -10.650 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.527 6.602 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.106 6.978 -8.958 1.00 0.00 H new ATOM 670 N PRO A 51 -2.924 8.893 -10.641 1.00 0.00 N ATOM 671 CA PRO A 51 -2.502 9.953 -11.561 1.00 0.00 C ATOM 672 C PRO A 51 -1.013 9.880 -11.885 1.00 0.00 C ATOM 673 O PRO A 51 -0.501 10.672 -12.676 1.00 0.00 O ATOM 674 CB PRO A 51 -2.818 11.238 -10.791 1.00 0.00 C ATOM 675 CG PRO A 51 -2.782 10.839 -9.356 1.00 0.00 C ATOM 676 CD PRO A 51 -3.271 9.418 -9.309 1.00 0.00 C ATOM 0 HA PRO A 51 -3.007 9.881 -12.524 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.086 12.017 -11.004 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.795 11.635 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.772 10.918 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.416 11.490 -8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.785 8.852 -8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.344 9.368 -9.125 1.00 0.00 H new ATOM 684 N SER A 52 -0.325 8.924 -11.270 1.00 0.00 N ATOM 685 CA SER A 52 1.106 8.749 -11.491 1.00 0.00 C ATOM 686 C SER A 52 1.579 7.404 -10.950 1.00 0.00 C ATOM 687 O SER A 52 1.115 6.943 -9.907 1.00 0.00 O ATOM 688 CB SER A 52 1.889 9.883 -10.826 1.00 0.00 C ATOM 689 OG SER A 52 2.094 10.958 -11.727 1.00 0.00 O ATOM 0 H SER A 52 -0.735 8.259 -10.615 1.00 0.00 H new ATOM 0 HA SER A 52 1.288 8.773 -12.565 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.347 10.238 -9.949 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.851 9.509 -10.477 1.00 0.00 H new ATOM 0 HG SER A 52 1.273 11.117 -12.238 1.00 0.00 H new ATOM 695 N LYS A 53 2.507 6.778 -11.666 1.00 0.00 N ATOM 696 CA LYS A 53 3.046 5.486 -11.259 1.00 0.00 C ATOM 697 C LYS A 53 4.018 5.644 -10.094 1.00 0.00 C ATOM 698 O LYS A 53 5.074 6.260 -10.234 1.00 0.00 O ATOM 699 CB LYS A 53 3.752 4.811 -12.437 1.00 0.00 C ATOM 700 CG LYS A 53 4.014 3.330 -12.222 1.00 0.00 C ATOM 701 CD LYS A 53 5.043 2.798 -13.204 1.00 0.00 C ATOM 702 CE LYS A 53 4.473 2.700 -14.611 1.00 0.00 C ATOM 703 NZ LYS A 53 3.768 1.408 -14.835 1.00 0.00 N ATOM 0 H LYS A 53 2.902 7.145 -12.532 1.00 0.00 H new ATOM 0 HA LYS A 53 2.215 4.860 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.146 4.938 -13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.700 5.316 -12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.363 3.166 -11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.083 2.775 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.915 3.452 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.383 1.815 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.781 3.525 -14.781 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.279 2.805 -15.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.394 1.380 -15.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.434 0.621 -14.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.983 1.319 -14.159 1.00 0.00 H new ATOM 717 N ALA A 54 3.654 5.083 -8.946 1.00 0.00 N ATOM 718 CA ALA A 54 4.496 5.159 -7.758 1.00 0.00 C ATOM 719 C ALA A 54 5.090 3.797 -7.418 1.00 0.00 C ATOM 720 O ALA A 54 4.373 2.799 -7.341 1.00 0.00 O ATOM 721 CB ALA A 54 3.698 5.698 -6.580 1.00 0.00 C ATOM 0 H ALA A 54 2.782 4.571 -8.813 1.00 0.00 H new ATOM 0 HA ALA A 54 5.319 5.842 -7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.339 5.750 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.327 6.695 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.856 5.036 -6.378 1.00 0.00 H new ATOM 727 N GLU A 55 6.403 3.763 -7.216 1.00 0.00 N ATOM 728 CA GLU A 55 7.093 2.521 -6.886 1.00 0.00 C ATOM 729 C GLU A 55 6.699 2.033 -5.494 1.00 0.00 C ATOM 730 O GLU A 55 6.366 2.831 -4.617 1.00 0.00 O ATOM 731 CB GLU A 55 8.608 2.718 -6.959 1.00 0.00 C ATOM 732 CG GLU A 55 9.178 3.497 -5.785 1.00 0.00 C ATOM 733 CD GLU A 55 9.250 4.988 -6.055 1.00 0.00 C ATOM 734 OE1 GLU A 55 8.371 5.504 -6.775 1.00 0.00 O ATOM 735 OE2 GLU A 55 10.187 5.638 -5.544 1.00 0.00 O ATOM 0 H GLU A 55 7.010 4.580 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 55 6.797 1.766 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.091 1.742 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.854 3.240 -7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.562 3.320 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.176 3.124 -5.557 1.00 0.00 H new ATOM 742 N ILE A 56 6.739 0.719 -5.301 1.00 0.00 N ATOM 743 CA ILE A 56 6.387 0.126 -4.017 1.00 0.00 C ATOM 744 C ILE A 56 7.528 -0.729 -3.475 1.00 0.00 C ATOM 745 O ILE A 56 8.018 -1.633 -4.152 1.00 0.00 O ATOM 746 CB ILE A 56 5.119 -0.741 -4.126 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.051 -0.020 -4.951 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.588 -1.080 -2.742 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.038 -0.953 -5.576 1.00 0.00 C ATOM 0 H ILE A 56 7.011 0.045 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 56 6.196 0.951 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 56 5.376 -1.671 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.530 0.693 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.538 0.554 -5.739 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.692 -1.693 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.347 -1.630 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.344 -0.160 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.312 -0.373 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.547 -1.650 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.524 -1.509 -4.792 1.00 0.00 H new ATOM 761 N THR A 57 7.948 -0.437 -2.248 1.00 0.00 N ATOM 762 CA THR A 57 9.031 -1.178 -1.614 1.00 0.00 C ATOM 763 C THR A 57 8.552 -1.870 -0.343 1.00 0.00 C ATOM 764 O THR A 57 8.042 -1.224 0.573 1.00 0.00 O ATOM 765 CB THR A 57 10.215 -0.256 -1.268 1.00 0.00 C ATOM 766 OG1 THR A 57 10.575 0.530 -2.410 1.00 0.00 O ATOM 767 CG2 THR A 57 11.416 -1.067 -0.806 1.00 0.00 C ATOM 0 H THR A 57 7.554 0.308 -1.673 1.00 0.00 H new ATOM 0 HA THR A 57 9.363 -1.929 -2.331 1.00 0.00 H new ATOM 0 HB THR A 57 9.907 0.403 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.327 1.115 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.240 -0.394 -0.567 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.148 -1.641 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.722 -1.748 -1.600 1.00 0.00 H new ATOM 775 N CYS A 58 8.721 -3.187 -0.293 1.00 0.00 N ATOM 776 CA CYS A 58 8.306 -3.968 0.867 1.00 0.00 C ATOM 777 C CYS A 58 9.498 -4.280 1.767 1.00 0.00 C ATOM 778 O CYS A 58 10.650 -4.179 1.347 1.00 0.00 O ATOM 779 CB CYS A 58 7.635 -5.267 0.420 1.00 0.00 C ATOM 780 SG CYS A 58 8.751 -6.429 -0.401 1.00 0.00 S ATOM 0 H CYS A 58 9.142 -3.736 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 58 7.590 -3.375 1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.196 -5.755 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.816 -5.026 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 58 8.092 -7.497 -0.740 1.00 0.00 H new ATOM 786 N LYS A 59 9.212 -4.657 3.008 1.00 0.00 N ATOM 787 CA LYS A 59 10.258 -4.984 3.969 1.00 0.00 C ATOM 788 C LYS A 59 9.887 -6.223 4.778 1.00 0.00 C ATOM 789 O LYS A 59 8.740 -6.382 5.196 1.00 0.00 O ATOM 790 CB LYS A 59 10.503 -3.802 4.910 1.00 0.00 C ATOM 791 CG LYS A 59 11.815 -3.891 5.671 1.00 0.00 C ATOM 792 CD LYS A 59 12.975 -3.363 4.845 1.00 0.00 C ATOM 793 CE LYS A 59 14.312 -3.842 5.391 1.00 0.00 C ATOM 794 NZ LYS A 59 14.615 -3.242 6.719 1.00 0.00 N ATOM 0 H LYS A 59 8.263 -4.744 3.372 1.00 0.00 H new ATOM 0 HA LYS A 59 11.172 -5.195 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.491 -2.879 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.682 -3.741 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.738 -3.322 6.598 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.006 -4.928 5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.865 -3.690 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.953 -2.273 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.301 -4.929 5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.104 -3.586 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.534 -3.593 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.651 -2.206 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.872 -3.507 7.397 1.00 0.00 H new ATOM 808 N ASP A 60 10.864 -7.096 4.997 1.00 0.00 N ATOM 809 CA ASP A 60 10.640 -8.319 5.759 1.00 0.00 C ATOM 810 C ASP A 60 10.865 -8.080 7.249 1.00 0.00 C ATOM 811 O ASP A 60 11.991 -7.850 7.688 1.00 0.00 O ATOM 812 CB ASP A 60 11.566 -9.431 5.263 1.00 0.00 C ATOM 813 CG ASP A 60 11.183 -9.931 3.884 1.00 0.00 C ATOM 814 OD1 ASP A 60 9.970 -10.055 3.613 1.00 0.00 O ATOM 815 OD2 ASP A 60 12.096 -10.196 3.074 1.00 0.00 O ATOM 0 H ASP A 60 11.819 -6.980 4.658 1.00 0.00 H new ATOM 0 HA ASP A 60 9.605 -8.626 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.592 -9.063 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.541 -10.262 5.968 1.00 0.00 H new ATOM 820 N ASN A 61 9.785 -8.136 8.021 1.00 0.00 N ATOM 821 CA ASN A 61 9.864 -7.924 9.462 1.00 0.00 C ATOM 822 C ASN A 61 10.335 -9.189 10.173 1.00 0.00 C ATOM 823 O ASN A 61 11.131 -9.128 11.110 1.00 0.00 O ATOM 824 CB ASN A 61 8.502 -7.494 10.011 1.00 0.00 C ATOM 825 CG ASN A 61 8.113 -6.098 9.565 1.00 0.00 C ATOM 826 OD1 ASN A 61 8.694 -5.108 10.011 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.125 -6.012 8.682 1.00 0.00 N ATOM 0 H ASN A 61 8.845 -8.326 7.673 1.00 0.00 H new ATOM 0 HA ASN A 61 10.590 -7.132 9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.741 -8.202 9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.524 -7.531 11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.819 -5.099 8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.672 -6.859 8.339 1.00 0.00 H new ATOM 834 N LYS A 62 9.838 -10.335 9.720 1.00 0.00 N ATOM 835 CA LYS A 62 10.209 -11.616 10.310 1.00 0.00 C ATOM 836 C LYS A 62 9.541 -11.803 11.669 1.00 0.00 C ATOM 837 O LYS A 62 10.037 -12.542 12.519 1.00 0.00 O ATOM 838 CB LYS A 62 11.729 -11.711 10.461 1.00 0.00 C ATOM 839 CG LYS A 62 12.247 -13.138 10.511 1.00 0.00 C ATOM 840 CD LYS A 62 13.759 -13.188 10.364 1.00 0.00 C ATOM 841 CE LYS A 62 14.319 -14.529 10.812 1.00 0.00 C ATOM 842 NZ LYS A 62 14.554 -14.568 12.282 1.00 0.00 N ATOM 0 H LYS A 62 9.177 -10.403 8.946 1.00 0.00 H new ATOM 0 HA LYS A 62 9.866 -12.407 9.643 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.202 -11.191 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.028 -11.192 11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.957 -13.598 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.784 -13.722 9.716 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.030 -13.009 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.209 -12.389 10.953 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.626 -15.323 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.255 -14.725 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.936 -15.498 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.234 -13.827 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.656 -14.407 12.781 1.00 0.00 H new ATOM 856 N ASP A 63 8.412 -11.130 11.865 1.00 0.00 N ATOM 857 CA ASP A 63 7.674 -11.225 13.119 1.00 0.00 C ATOM 858 C ASP A 63 6.229 -11.645 12.869 1.00 0.00 C ATOM 859 O ASP A 63 5.558 -12.158 13.764 1.00 0.00 O ATOM 860 CB ASP A 63 7.708 -9.886 13.858 1.00 0.00 C ATOM 861 CG ASP A 63 6.557 -9.733 14.832 1.00 0.00 C ATOM 862 OD1 ASP A 63 6.599 -10.370 15.906 1.00 0.00 O ATOM 863 OD2 ASP A 63 5.615 -8.975 14.521 1.00 0.00 O ATOM 0 H ASP A 63 7.988 -10.513 11.172 1.00 0.00 H new ATOM 0 HA ASP A 63 8.153 -11.985 13.737 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.651 -9.796 14.397 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.677 -9.073 13.133 1.00 0.00 H new ATOM 868 N GLY A 64 5.756 -11.423 11.647 1.00 0.00 N ATOM 869 CA GLY A 64 4.394 -11.783 11.301 1.00 0.00 C ATOM 870 C GLY A 64 3.666 -10.670 10.574 1.00 0.00 C ATOM 871 O GLY A 64 2.441 -10.564 10.650 1.00 0.00 O ATOM 0 H GLY A 64 6.292 -11.000 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.405 -12.675 10.675 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.847 -12.038 12.209 1.00 0.00 H new ATOM 875 N THR A 65 4.421 -9.835 9.867 1.00 0.00 N ATOM 876 CA THR A 65 3.841 -8.722 9.126 1.00 0.00 C ATOM 877 C THR A 65 4.787 -8.236 8.034 1.00 0.00 C ATOM 878 O THR A 65 5.849 -8.821 7.814 1.00 0.00 O ATOM 879 CB THR A 65 3.502 -7.543 10.057 1.00 0.00 C ATOM 880 OG1 THR A 65 4.687 -7.078 10.712 1.00 0.00 O ATOM 881 CG2 THR A 65 2.470 -7.954 11.096 1.00 0.00 C ATOM 0 H THR A 65 5.436 -9.909 9.792 1.00 0.00 H new ATOM 0 HA THR A 65 2.922 -9.091 8.670 1.00 0.00 H new ATOM 0 HB THR A 65 3.084 -6.739 9.451 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.462 -6.327 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.246 -7.105 11.742 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.558 -8.279 10.595 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.865 -8.773 11.697 1.00 0.00 H new ATOM 889 N CYS A 66 4.397 -7.164 7.353 1.00 0.00 N ATOM 890 CA CYS A 66 5.212 -6.600 6.283 1.00 0.00 C ATOM 891 C CYS A 66 5.079 -5.081 6.242 1.00 0.00 C ATOM 892 O CYS A 66 3.997 -4.535 6.458 1.00 0.00 O ATOM 893 CB CYS A 66 4.805 -7.196 4.935 1.00 0.00 C ATOM 894 SG CYS A 66 6.151 -7.289 3.732 1.00 0.00 S ATOM 0 H CYS A 66 3.522 -6.668 7.523 1.00 0.00 H new ATOM 0 HA CYS A 66 6.254 -6.851 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 66 4.408 -8.198 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.997 -6.597 4.514 1.00 0.00 H new ATOM 0 HG CYS A 66 7.262 -6.916 4.294 1.00 0.00 H new ATOM 900 N THR A 67 6.188 -4.402 5.965 1.00 0.00 N ATOM 901 CA THR A 67 6.197 -2.946 5.899 1.00 0.00 C ATOM 902 C THR A 67 6.419 -2.462 4.470 1.00 0.00 C ATOM 903 O THR A 67 7.536 -2.510 3.955 1.00 0.00 O ATOM 904 CB THR A 67 7.288 -2.349 6.807 1.00 0.00 C ATOM 905 OG1 THR A 67 6.875 -2.413 8.176 1.00 0.00 O ATOM 906 CG2 THR A 67 7.578 -0.905 6.426 1.00 0.00 C ATOM 0 H THR A 67 7.092 -4.838 5.783 1.00 0.00 H new ATOM 0 HA THR A 67 5.221 -2.608 6.247 1.00 0.00 H new ATOM 0 HB THR A 67 8.199 -2.933 6.676 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.575 -2.033 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.352 -0.504 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.920 -0.863 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.670 -0.311 6.532 1.00 0.00 H new ATOM 914 N VAL A 68 5.349 -1.995 3.835 1.00 0.00 N ATOM 915 CA VAL A 68 5.428 -1.500 2.466 1.00 0.00 C ATOM 916 C VAL A 68 5.270 0.015 2.419 1.00 0.00 C ATOM 917 O VAL A 68 4.611 0.607 3.274 1.00 0.00 O ATOM 918 CB VAL A 68 4.352 -2.146 1.573 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.629 -1.852 0.106 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.284 -3.645 1.821 1.00 0.00 C ATOM 0 H VAL A 68 4.417 -1.949 4.247 1.00 0.00 H new ATOM 0 HA VAL A 68 6.414 -1.771 2.088 1.00 0.00 H new ATOM 0 HB VAL A 68 3.384 -1.714 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.859 -2.316 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.623 -0.774 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.604 -2.255 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.519 -4.085 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.250 -4.096 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.035 -3.830 2.866 1.00 0.00 H new ATOM 930 N SER A 69 5.878 0.638 1.415 1.00 0.00 N ATOM 931 CA SER A 69 5.807 2.086 1.258 1.00 0.00 C ATOM 932 C SER A 69 5.822 2.474 -0.218 1.00 0.00 C ATOM 933 O SER A 69 6.498 1.842 -1.030 1.00 0.00 O ATOM 934 CB SER A 69 6.974 2.756 1.985 1.00 0.00 C ATOM 935 OG SER A 69 7.288 2.071 3.185 1.00 0.00 O ATOM 0 H SER A 69 6.426 0.163 0.698 1.00 0.00 H new ATOM 0 HA SER A 69 4.870 2.429 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.848 2.776 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.720 3.792 2.210 1.00 0.00 H new ATOM 0 HG SER A 69 8.200 2.298 3.462 1.00 0.00 H new ATOM 941 N TYR A 70 5.073 3.517 -0.556 1.00 0.00 N ATOM 942 CA TYR A 70 4.998 3.989 -1.934 1.00 0.00 C ATOM 943 C TYR A 70 5.237 5.494 -2.008 1.00 0.00 C ATOM 944 O TYR A 70 4.802 6.248 -1.136 1.00 0.00 O ATOM 945 CB TYR A 70 3.635 3.647 -2.538 1.00 0.00 C ATOM 946 CG TYR A 70 2.511 4.521 -2.029 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.435 5.864 -2.380 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.525 4.006 -1.196 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.410 6.666 -1.917 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.496 4.800 -0.730 1.00 0.00 C ATOM 951 CZ TYR A 70 0.443 6.130 -1.093 1.00 0.00 C ATOM 952 OH TYR A 70 -0.580 6.925 -0.629 1.00 0.00 O ATOM 0 H TYR A 70 4.509 4.052 0.105 1.00 0.00 H new ATOM 0 HA TYR A 70 5.778 3.487 -2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.694 3.740 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.401 2.605 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.190 6.287 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.564 2.966 -0.908 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.366 7.708 -2.199 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.263 4.382 -0.085 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.896 6.581 0.233 1.00 0.00 H new ATOM 962 N LEU A 71 5.931 5.925 -3.055 1.00 0.00 N ATOM 963 CA LEU A 71 6.228 7.340 -3.246 1.00 0.00 C ATOM 964 C LEU A 71 5.473 7.899 -4.447 1.00 0.00 C ATOM 965 O LEU A 71 5.808 7.631 -5.602 1.00 0.00 O ATOM 966 CB LEU A 71 7.732 7.545 -3.435 1.00 0.00 C ATOM 967 CG LEU A 71 8.185 8.977 -3.719 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.488 9.709 -2.421 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.402 8.981 -4.632 1.00 0.00 C ATOM 0 H LEU A 71 6.299 5.315 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 71 5.903 7.877 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.241 7.196 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.064 6.911 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 71 7.374 9.500 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.809 10.727 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.591 9.738 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.281 9.187 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.710 10.009 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.218 8.441 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.151 8.496 -5.575 1.00 0.00 H new ATOM 981 N PRO A 72 4.429 8.695 -4.172 1.00 0.00 N ATOM 982 CA PRO A 72 3.605 9.310 -5.218 1.00 0.00 C ATOM 983 C PRO A 72 4.356 10.394 -5.984 1.00 0.00 C ATOM 984 O PRO A 72 5.345 10.943 -5.496 1.00 0.00 O ATOM 985 CB PRO A 72 2.438 9.918 -4.437 1.00 0.00 C ATOM 986 CG PRO A 72 2.979 10.157 -3.070 1.00 0.00 C ATOM 987 CD PRO A 72 3.972 9.057 -2.820 1.00 0.00 C ATOM 0 HA PRO A 72 3.299 8.587 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.096 10.846 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.584 9.242 -4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.455 11.135 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.182 10.140 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.798 9.396 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.513 8.210 -2.311 1.00 0.00 H new ATOM 995 N THR A 73 3.880 10.699 -7.187 1.00 0.00 N ATOM 996 CA THR A 73 4.506 11.717 -8.021 1.00 0.00 C ATOM 997 C THR A 73 3.558 12.885 -8.268 1.00 0.00 C ATOM 998 O THR A 73 3.988 13.980 -8.630 1.00 0.00 O ATOM 999 CB THR A 73 4.952 11.137 -9.377 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.563 9.857 -9.184 1.00 0.00 O ATOM 1001 CG2 THR A 73 5.930 12.073 -10.071 1.00 0.00 C ATOM 0 H THR A 73 3.063 10.255 -7.606 1.00 0.00 H new ATOM 0 HA THR A 73 5.383 12.072 -7.480 1.00 0.00 H new ATOM 0 HB THR A 73 4.070 11.027 -10.008 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.842 9.494 -10.050 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.231 11.642 -11.026 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.451 13.037 -10.242 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.810 12.211 -9.442 1.00 0.00 H new ATOM 1009 N ALA A 74 2.266 12.645 -8.070 1.00 0.00 N ATOM 1010 CA ALA A 74 1.258 13.679 -8.269 1.00 0.00 C ATOM 1011 C ALA A 74 0.104 13.517 -7.285 1.00 0.00 C ATOM 1012 O ALA A 74 -0.210 12.414 -6.835 1.00 0.00 O ATOM 1013 CB ALA A 74 0.742 13.644 -9.700 1.00 0.00 C ATOM 0 H ALA A 74 1.893 11.744 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 74 1.725 14.647 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.010 14.421 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.569 13.816 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.297 12.670 -9.903 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.542 14.640 -6.939 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.671 14.648 -6.004 1.00 0.00 C ATOM 1021 C PRO A 75 -2.917 13.996 -6.594 1.00 0.00 C ATOM 1022 O PRO A 75 -3.205 14.145 -7.780 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.915 16.138 -5.755 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.388 16.817 -6.972 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.221 15.989 -7.436 1.00 0.00 C ATOM 0 HA PRO A 75 -1.454 14.080 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.975 16.347 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.400 16.479 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.153 16.881 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.077 17.837 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.123 16.005 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.720 16.355 -7.026 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.653 13.271 -5.756 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.860 12.607 -6.213 1.00 0.00 C ATOM 1035 C GLY A 76 -5.160 11.345 -5.429 1.00 0.00 C ATOM 1036 O GLY A 76 -4.488 11.046 -4.441 1.00 0.00 O ATOM 0 H GLY A 76 -3.435 13.132 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.703 13.293 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.757 12.359 -7.269 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.171 10.605 -5.867 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.560 9.368 -5.199 1.00 0.00 C ATOM 1042 C ASP A 77 -5.843 8.170 -5.814 1.00 0.00 C ATOM 1043 O ASP A 77 -6.107 7.794 -6.956 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.074 9.171 -5.284 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.837 10.472 -5.130 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.901 10.991 -3.995 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -9.368 10.971 -6.143 1.00 0.00 O ATOM 0 H ASP A 77 -6.737 10.840 -6.682 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.270 9.444 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.325 8.717 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.391 8.473 -4.509 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.934 7.575 -5.049 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.176 6.421 -5.520 1.00 0.00 C ATOM 1054 C TYR A 78 -4.893 5.120 -5.172 1.00 0.00 C ATOM 1055 O TYR A 78 -5.466 4.983 -4.091 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.774 6.423 -4.910 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.836 7.422 -5.549 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.984 8.785 -5.326 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.802 7.002 -6.377 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -1.130 9.701 -5.909 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.058 7.911 -6.963 1.00 0.00 C ATOM 1062 CZ TYR A 78 -0.111 9.260 -6.726 1.00 0.00 C ATOM 1063 OH TYR A 78 0.742 10.169 -7.308 1.00 0.00 O ATOM 0 H TYR A 78 -4.704 7.872 -4.101 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.093 6.490 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.851 6.640 -3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.346 5.425 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.780 9.135 -4.686 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.668 5.947 -6.566 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.260 10.757 -5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.858 7.568 -7.603 1.00 0.00 H new ATOM 0 HH TYR A 78 0.257 11.000 -7.495 1.00 0.00 H new ATOM 1073 N SER A 79 -4.855 4.166 -6.097 1.00 0.00 N ATOM 1074 CA SER A 79 -5.503 2.876 -5.891 1.00 0.00 C ATOM 1075 C SER A 79 -4.468 1.782 -5.642 1.00 0.00 C ATOM 1076 O SER A 79 -3.855 1.269 -6.578 1.00 0.00 O ATOM 1077 CB SER A 79 -6.362 2.514 -7.104 1.00 0.00 C ATOM 1078 OG SER A 79 -7.366 3.489 -7.327 1.00 0.00 O ATOM 0 H SER A 79 -4.383 4.262 -6.996 1.00 0.00 H new ATOM 0 HA SER A 79 -6.143 2.954 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.731 2.429 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.825 1.540 -6.948 1.00 0.00 H new ATOM 0 HG SER A 79 -7.900 3.236 -8.109 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.281 1.432 -4.374 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.323 0.399 -4.001 1.00 0.00 C ATOM 1086 C ILE A 80 -3.949 -0.989 -4.087 1.00 0.00 C ATOM 1087 O ILE A 80 -4.640 -1.427 -3.166 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.783 0.619 -2.576 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.185 2.021 -2.445 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.747 -0.440 -2.232 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.286 2.594 -1.048 1.00 0.00 C ATOM 0 H ILE A 80 -4.780 1.848 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.496 0.466 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.610 0.530 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.136 1.989 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.692 2.690 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.375 -0.270 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.204 -1.428 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.919 -0.382 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.842 3.589 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.334 2.659 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.754 1.947 -0.350 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.701 -1.677 -5.196 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.238 -3.016 -5.400 1.00 0.00 C ATOM 1105 C ILE A 81 -3.361 -4.068 -4.730 1.00 0.00 C ATOM 1106 O ILE A 81 -2.164 -4.160 -5.004 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.366 -3.349 -6.898 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.281 -2.338 -7.592 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.895 -4.764 -7.083 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.937 -2.111 -9.047 1.00 0.00 C ATOM 0 H ILE A 81 -3.131 -1.329 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.229 -3.031 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.378 -3.289 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.312 -2.685 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.227 -1.387 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.980 -4.984 -8.147 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.209 -5.473 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.876 -4.850 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.626 -1.383 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.917 -1.734 -9.125 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.019 -3.052 -9.591 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.965 -4.862 -3.851 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.240 -5.910 -3.143 1.00 0.00 C ATOM 1124 C VAL A 82 -3.968 -7.246 -3.244 1.00 0.00 C ATOM 1125 O VAL A 82 -4.918 -7.503 -2.504 1.00 0.00 O ATOM 1126 CB VAL A 82 -3.046 -5.554 -1.657 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.108 -6.546 -0.988 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.522 -4.133 -1.515 1.00 0.00 C ATOM 0 H VAL A 82 -4.955 -4.799 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.263 -5.995 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.013 -5.613 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.983 -6.278 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.529 -7.549 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.139 -6.523 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.391 -3.898 -0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.564 -4.045 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.235 -3.436 -1.956 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.516 -8.093 -4.162 1.00 0.00 N ATOM 1139 CA ARG A 83 -4.125 -9.402 -4.360 1.00 0.00 C ATOM 1140 C ARG A 83 -3.305 -10.492 -3.676 1.00 0.00 C ATOM 1141 O ARG A 83 -2.099 -10.345 -3.479 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.254 -9.708 -5.853 1.00 0.00 C ATOM 1143 CG ARG A 83 -5.034 -8.657 -6.625 1.00 0.00 C ATOM 1144 CD ARG A 83 -5.275 -9.087 -8.064 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.401 -7.943 -8.963 1.00 0.00 N ATOM 1146 CZ ARG A 83 -4.401 -7.115 -9.243 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -3.208 -7.303 -8.697 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -4.594 -6.096 -10.071 1.00 0.00 N ATOM 0 H ARG A 83 -2.730 -7.896 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.119 -9.384 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.257 -9.798 -6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.743 -10.674 -5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.990 -8.477 -6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.487 -7.714 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.452 -9.720 -8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.182 -9.690 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.306 -7.770 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.056 -8.085 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.442 -6.666 -8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.511 -5.948 -10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.826 -5.461 -10.286 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.968 -11.586 -3.314 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.302 -12.700 -2.650 1.00 0.00 C ATOM 1164 C PHE A 84 -3.711 -14.030 -3.276 1.00 0.00 C ATOM 1165 O PHE A 84 -4.802 -14.540 -3.019 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.633 -12.703 -1.157 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.708 -13.558 -0.339 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.341 -13.328 -0.349 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.204 -14.592 0.438 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -0.487 -14.113 0.403 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -2.355 -15.380 1.192 1.00 0.00 C ATOM 1172 CZ PHE A 84 -0.995 -15.141 1.173 1.00 0.00 C ATOM 0 H PHE A 84 -4.967 -11.724 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.227 -12.575 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.595 -11.680 -0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.656 -13.055 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.939 -12.527 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.267 -14.785 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.576 -13.923 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.755 -16.182 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.329 -15.757 1.759 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.829 -14.585 -4.100 1.00 0.00 N ATOM 1183 CA ASP A 85 -3.097 -15.856 -4.763 1.00 0.00 C ATOM 1184 C ASP A 85 -4.329 -15.753 -5.657 1.00 0.00 C ATOM 1185 O ASP A 85 -5.166 -16.655 -5.684 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.295 -16.964 -3.728 1.00 0.00 C ATOM 1187 CG ASP A 85 -1.991 -17.636 -3.343 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -1.474 -18.434 -4.153 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -1.488 -17.365 -2.233 1.00 0.00 O ATOM 0 H ASP A 85 -1.923 -14.175 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.237 -16.101 -5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.762 -16.545 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.982 -17.711 -4.126 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.433 -14.648 -6.387 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.562 -14.427 -7.283 1.00 0.00 C ATOM 1196 C ASP A 86 -6.835 -14.138 -6.492 1.00 0.00 C ATOM 1197 O ASP A 86 -7.915 -14.617 -6.837 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.773 -15.644 -8.184 1.00 0.00 C ATOM 1199 CG ASP A 86 -4.466 -16.216 -8.698 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -3.672 -15.450 -9.284 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -4.237 -17.430 -8.514 1.00 0.00 O ATOM 0 H ASP A 86 -3.749 -13.891 -6.376 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.336 -13.560 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.311 -16.414 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.401 -15.362 -9.029 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.699 -13.352 -5.429 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.836 -12.999 -4.588 1.00 0.00 C ATOM 1208 C LYS A 87 -7.651 -11.614 -3.976 1.00 0.00 C ATOM 1209 O LYS A 87 -6.696 -11.374 -3.237 1.00 0.00 O ATOM 1210 CB LYS A 87 -8.020 -14.038 -3.479 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.288 -15.440 -3.997 1.00 0.00 C ATOM 1212 CD LYS A 87 -9.691 -15.565 -4.566 1.00 0.00 C ATOM 1213 CE LYS A 87 -10.719 -15.789 -3.467 1.00 0.00 C ATOM 1214 NZ LYS A 87 -10.720 -17.199 -2.987 1.00 0.00 N ATOM 0 H LYS A 87 -5.812 -12.947 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.728 -12.984 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.125 -14.055 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.848 -13.732 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.558 -15.690 -4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.157 -16.159 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.942 -14.661 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.726 -16.394 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.509 -15.121 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.711 -15.531 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.457 -17.319 -2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.912 -17.837 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.792 -17.427 -2.577 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.571 -10.706 -4.288 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.510 -9.346 -3.766 1.00 0.00 C ATOM 1230 C HIS A 88 -8.821 -9.322 -2.273 1.00 0.00 C ATOM 1231 O HIS A 88 -9.784 -9.940 -1.819 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.490 -8.445 -4.517 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.865 -7.693 -5.652 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.588 -6.343 -5.599 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.460 -8.111 -6.874 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -8.042 -5.963 -6.740 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.952 -7.017 -7.531 1.00 0.00 N ATOM 0 H HIS A 88 -9.367 -10.888 -4.899 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.497 -8.972 -3.914 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.308 -9.054 -4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.926 -7.733 -3.816 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.775 -5.733 -4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.524 -9.117 -7.261 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.723 -4.961 -6.985 1.00 0.00 H new ATOM 1246 N ILE A 89 -7.999 -8.604 -1.514 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.186 -8.500 -0.072 1.00 0.00 C ATOM 1248 C ILE A 89 -9.347 -7.570 0.265 1.00 0.00 C ATOM 1249 O ILE A 89 -9.682 -6.657 -0.489 1.00 0.00 O ATOM 1250 CB ILE A 89 -6.913 -7.988 0.626 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.575 -6.574 0.146 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.749 -8.933 0.365 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.492 -5.902 0.961 1.00 0.00 C ATOM 0 H ILE A 89 -7.197 -8.086 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.409 -9.503 0.291 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.095 -7.954 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.259 -6.619 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.477 -5.962 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.856 -8.557 0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.991 -9.924 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.565 -8.996 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.305 -4.904 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.813 -5.825 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.577 -6.492 0.907 1.00 0.00 H new ATOM 1265 N PRO A 90 -9.974 -7.804 1.427 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.105 -6.996 1.893 1.00 0.00 C ATOM 1267 C PRO A 90 -10.685 -5.586 2.292 1.00 0.00 C ATOM 1268 O PRO A 90 -10.475 -5.300 3.470 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.613 -7.768 3.114 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.429 -8.529 3.601 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.627 -8.875 2.376 1.00 0.00 C ATOM 0 HA PRO A 90 -11.856 -6.859 1.115 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.991 -7.092 3.880 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.431 -8.437 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.840 -7.931 4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.736 -9.429 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.558 -8.893 2.588 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.892 -9.858 1.987 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.565 -4.707 1.301 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.170 -3.336 1.570 1.00 0.00 C ATOM 1281 C GLY A 91 -9.403 -2.717 0.418 1.00 0.00 C ATOM 1282 O GLY A 91 -9.162 -1.510 0.401 1.00 0.00 O ATOM 0 H GLY A 91 -10.734 -4.920 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.059 -2.738 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.554 -3.308 2.469 1.00 0.00 H new ATOM 1286 N SER A 92 -9.016 -3.546 -0.546 1.00 0.00 N ATOM 1287 CA SER A 92 -8.266 -3.074 -1.704 1.00 0.00 C ATOM 1288 C SER A 92 -9.112 -3.162 -2.971 1.00 0.00 C ATOM 1289 O SER A 92 -10.039 -3.965 -3.076 1.00 0.00 O ATOM 1290 CB SER A 92 -6.984 -3.891 -1.876 1.00 0.00 C ATOM 1291 OG SER A 92 -6.647 -4.030 -3.246 1.00 0.00 O ATOM 0 H SER A 92 -9.209 -4.548 -0.548 1.00 0.00 H new ATOM 0 HA SER A 92 -8.003 -2.030 -1.535 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.166 -3.405 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.114 -4.876 -1.429 1.00 0.00 H new ATOM 0 HG SER A 92 -6.858 -4.939 -3.544 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.786 -2.314 -3.959 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.685 -1.353 -3.846 1.00 0.00 C ATOM 1299 C PRO A 93 -7.992 -0.235 -2.855 1.00 0.00 C ATOM 1300 O PRO A 93 -9.073 0.352 -2.881 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.559 -0.790 -5.264 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.910 -0.970 -5.864 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.468 -2.229 -5.261 1.00 0.00 C ATOM 0 HA PRO A 93 -6.773 -1.820 -3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.269 0.261 -5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.798 -1.322 -5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.551 -0.116 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.847 -1.052 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.550 -2.174 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.258 -3.100 -5.882 1.00 0.00 H new ATOM 1311 N PHE A 94 -7.033 0.055 -1.982 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.200 1.103 -0.981 1.00 0.00 C ATOM 1313 C PHE A 94 -6.988 2.482 -1.598 1.00 0.00 C ATOM 1314 O PHE A 94 -5.881 2.827 -2.012 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.222 0.893 0.176 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.627 -0.211 1.111 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.435 0.051 2.205 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -6.200 -1.511 0.894 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -7.809 -0.963 3.067 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.570 -2.530 1.752 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.376 -2.255 2.839 1.00 0.00 C ATOM 0 H PHE A 94 -6.132 -0.421 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.220 1.048 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.235 0.671 -0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.134 1.822 0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.777 1.059 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.571 -1.731 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.439 -0.746 3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.229 -3.539 1.572 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.668 -3.049 3.510 1.00 0.00 H new ATOM 1331 N THR A 95 -8.058 3.269 -1.656 1.00 0.00 N ATOM 1332 CA THR A 95 -7.991 4.610 -2.223 1.00 0.00 C ATOM 1333 C THR A 95 -7.319 5.581 -1.259 1.00 0.00 C ATOM 1334 O THR A 95 -7.930 6.031 -0.291 1.00 0.00 O ATOM 1335 CB THR A 95 -9.393 5.141 -2.575 1.00 0.00 C ATOM 1336 OG1 THR A 95 -10.067 4.214 -3.433 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.302 6.498 -3.258 1.00 0.00 C ATOM 0 H THR A 95 -8.982 3.000 -1.317 1.00 0.00 H new ATOM 0 HA THR A 95 -7.398 4.539 -3.135 1.00 0.00 H new ATOM 0 HB THR A 95 -9.957 5.255 -1.649 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.958 4.558 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.304 6.853 -3.497 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.815 7.209 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.721 6.405 -4.176 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.058 5.901 -1.532 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.304 6.821 -0.690 1.00 0.00 C ATOM 1347 C ALA A 96 -5.327 8.234 -1.264 1.00 0.00 C ATOM 1348 O ALA A 96 -5.113 8.434 -2.460 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.871 6.338 -0.531 1.00 0.00 C ATOM 0 H ALA A 96 -5.537 5.536 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.778 6.847 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.320 7.035 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.869 5.351 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.395 6.281 -1.510 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.590 9.213 -0.404 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.641 10.608 -0.824 1.00 0.00 C ATOM 1357 C LYS A 97 -4.265 11.257 -0.722 1.00 0.00 C ATOM 1358 O LYS A 97 -3.696 11.360 0.365 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.647 11.383 0.030 1.00 0.00 C ATOM 1360 CG LYS A 97 -7.264 12.572 -0.686 1.00 0.00 C ATOM 1361 CD LYS A 97 -7.686 13.654 0.293 1.00 0.00 C ATOM 1362 CE LYS A 97 -8.625 14.659 -0.357 1.00 0.00 C ATOM 1363 NZ LYS A 97 -9.409 15.421 0.654 1.00 0.00 N ATOM 0 H LYS A 97 -5.771 9.065 0.589 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.961 10.636 -1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.442 10.706 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.150 11.732 0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.547 12.983 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.129 12.243 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.178 13.197 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.803 14.170 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.047 15.353 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.308 14.137 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.036 16.095 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.980 14.761 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.759 15.940 1.278 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.736 11.695 -1.860 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.428 12.336 -1.897 1.00 0.00 C ATOM 1379 C ILE A 98 -2.554 13.824 -2.207 1.00 0.00 C ATOM 1380 O ILE A 98 -3.229 14.217 -3.159 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.509 11.681 -2.946 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.293 10.203 -2.614 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.178 12.414 -3.015 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.586 9.977 -1.296 1.00 0.00 C ATOM 0 H ILE A 98 -4.194 11.617 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.986 12.209 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.990 11.748 -3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.259 9.699 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.713 9.741 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.460 11.940 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.349 13.454 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.310 12.374 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.467 8.907 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.395 10.451 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.176 10.410 -0.488 1.00 0.00 H new ATOM 1396 N THR A 99 -1.898 14.649 -1.397 1.00 0.00 N ATOM 1397 CA THR A 99 -1.935 16.094 -1.585 1.00 0.00 C ATOM 1398 C THR A 99 -0.568 16.631 -1.993 1.00 0.00 C ATOM 1399 O THR A 99 0.456 16.233 -1.441 1.00 0.00 O ATOM 1400 CB THR A 99 -2.396 16.815 -0.303 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.705 16.284 0.833 1.00 0.00 O ATOM 1402 CG2 THR A 99 -3.896 16.663 -0.107 1.00 0.00 C ATOM 0 H THR A 99 -1.335 14.341 -0.604 1.00 0.00 H new ATOM 0 HA THR A 99 -2.652 16.291 -2.382 1.00 0.00 H new ATOM 0 HB THR A 99 -2.165 17.875 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.002 16.748 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.198 17.180 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.420 17.094 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.147 15.605 -0.024 1.00 0.00 H new