USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= -0.341 X(o=-0.34,f=0.032) 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=0.000402 USER MOD Set 2.1: A 52 SER OG : rot 130:sc= -0.742 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 36 THR OG1 : rot -168:sc= 0.101 USER MOD Set 3.2: A 66 CYS SG : rot 180:sc= 0.0968 USER MOD Set 4.1: A 22 SER OG : rot -94:sc= 0.00392 USER MOD Set 4.2: A 23 HIS : no HD1:sc= 0.00387 X(o=0.0078,f=-0.033) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0866 USER MOD Single : A 25 MET CE :methyl 172:sc= 0 (180deg=-0.0768) USER MOD Single : A 27 ASN : amide:sc= -5.43! C(o=-5.4!,f=-5.9!) 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 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 90:sc= -0.553 USER MOD Single : A 53 LYS NZ :NH3+ -129:sc= -0.154 (180deg=-1.46!) USER MOD Single : A 57 THR OG1 : rot 140:sc= 0.0313 USER MOD Single : A 58 CYS SG : rot 31:sc= 0.229 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.046) USER MOD Single : A 69 SER OG : rot 160:sc= -1.69! USER MOD Single : A 70 TYR OH : rot -169:sc= -1.13! USER MOD Single : A 78 TYR OH : rot 3:sc= 1.11 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 87 LYS NZ :NH3+ 153:sc= -0.192 (180deg=-0.787) USER MOD Single : A 88 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-2.6!) USER MOD Single : A 92 SER OG : rot -106:sc= -0.329 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= -0.525 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.103 -7.890 5.708 1.00 0.00 N ATOM 179 CA SER A 15 -5.605 -6.523 5.781 1.00 0.00 C ATOM 180 C SER A 15 -4.471 -5.542 6.061 1.00 0.00 C ATOM 181 O SER A 15 -3.679 -5.739 6.983 1.00 0.00 O ATOM 182 CB SER A 15 -6.675 -6.407 6.868 1.00 0.00 C ATOM 183 OG SER A 15 -7.929 -6.872 6.401 1.00 0.00 O ATOM 0 HA SER A 15 -6.048 -6.273 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.373 -6.983 7.743 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.764 -5.368 7.185 1.00 0.00 H new ATOM 0 HG SER A 15 -8.595 -6.789 7.115 1.00 0.00 H new ATOM 189 N ALA A 16 -4.399 -4.484 5.260 1.00 0.00 N ATOM 190 CA ALA A 16 -3.364 -3.471 5.422 1.00 0.00 C ATOM 191 C ALA A 16 -3.914 -2.232 6.120 1.00 0.00 C ATOM 192 O ALA A 16 -5.083 -1.882 5.955 1.00 0.00 O ATOM 193 CB ALA A 16 -2.773 -3.100 4.070 1.00 0.00 C ATOM 0 H ALA A 16 -5.046 -4.306 4.492 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.575 -3.888 6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.001 -2.342 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.335 -3.985 3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.559 -2.706 3.425 1.00 0.00 H new ATOM 199 N TYR A 17 -3.064 -1.572 6.899 1.00 0.00 N ATOM 200 CA TYR A 17 -3.466 -0.373 7.625 1.00 0.00 C ATOM 201 C TYR A 17 -2.279 0.563 7.830 1.00 0.00 C ATOM 202 O TYR A 17 -1.149 0.118 8.024 1.00 0.00 O ATOM 203 CB TYR A 17 -4.073 -0.749 8.978 1.00 0.00 C ATOM 204 CG TYR A 17 -3.111 -1.475 9.891 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.994 -2.859 9.852 1.00 0.00 C ATOM 206 CD2 TYR A 17 -2.319 -0.776 10.794 1.00 0.00 C ATOM 207 CE1 TYR A 17 -2.118 -3.526 10.685 1.00 0.00 C ATOM 208 CE2 TYR A 17 -1.439 -1.435 11.631 1.00 0.00 C ATOM 209 CZ TYR A 17 -1.342 -2.810 11.573 1.00 0.00 C ATOM 210 OH TYR A 17 -0.467 -3.471 12.404 1.00 0.00 O ATOM 0 H TYR A 17 -2.093 -1.847 7.044 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.217 0.146 7.030 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.420 0.157 9.476 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.948 -1.377 8.812 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.599 -3.423 9.158 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.393 0.300 10.842 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.041 -4.602 10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.830 -0.877 12.327 1.00 0.00 H new ATOM 0 HH TYR A 17 0.004 -2.821 12.966 1.00 0.00 H new ATOM 220 N GLY A 18 -2.546 1.865 7.785 1.00 0.00 N ATOM 221 CA GLY A 18 -1.491 2.845 7.968 1.00 0.00 C ATOM 222 C GLY A 18 -1.896 4.228 7.497 1.00 0.00 C ATOM 223 O GLY A 18 -2.980 4.427 6.948 1.00 0.00 O ATOM 0 H GLY A 18 -3.473 2.258 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.219 2.889 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.603 2.524 7.423 1.00 0.00 H new ATOM 227 N PRO A 19 -1.013 5.214 7.714 1.00 0.00 N ATOM 228 CA PRO A 19 -1.263 6.602 7.316 1.00 0.00 C ATOM 229 C PRO A 19 -1.242 6.784 5.802 1.00 0.00 C ATOM 230 O PRO A 19 -2.089 7.476 5.239 1.00 0.00 O ATOM 231 CB PRO A 19 -0.107 7.370 7.962 1.00 0.00 C ATOM 232 CG PRO A 19 0.982 6.363 8.109 1.00 0.00 C ATOM 233 CD PRO A 19 0.298 5.048 8.364 1.00 0.00 C ATOM 0 HA PRO A 19 -2.249 6.944 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.209 8.207 7.339 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.397 7.783 8.928 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.594 6.316 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.646 6.624 8.933 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.856 4.215 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.195 4.849 9.431 1.00 0.00 H new ATOM 241 N GLY A 20 -0.269 6.157 5.148 1.00 0.00 N ATOM 242 CA GLY A 20 -0.157 6.262 3.705 1.00 0.00 C ATOM 243 C GLY A 20 -1.362 5.686 2.987 1.00 0.00 C ATOM 244 O GLY A 20 -1.734 6.155 1.910 1.00 0.00 O ATOM 0 H GLY A 20 0.444 5.578 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.039 7.310 3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.742 5.742 3.375 1.00 0.00 H new ATOM 248 N LEU A 21 -1.971 4.667 3.581 1.00 0.00 N ATOM 249 CA LEU A 21 -3.141 4.025 2.991 1.00 0.00 C ATOM 250 C LEU A 21 -4.365 4.929 3.087 1.00 0.00 C ATOM 251 O LEU A 21 -5.173 4.998 2.160 1.00 0.00 O ATOM 252 CB LEU A 21 -3.421 2.692 3.686 1.00 0.00 C ATOM 253 CG LEU A 21 -2.370 1.598 3.490 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.726 0.364 4.304 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.235 1.246 2.016 1.00 0.00 C ATOM 0 H LEU A 21 -1.675 4.267 4.471 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.931 3.841 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.528 2.878 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.380 2.314 3.331 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.410 1.976 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.967 -0.404 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.771 0.626 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.696 -0.016 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.483 0.466 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.193 0.888 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.932 2.131 1.457 1.00 0.00 H new ATOM 267 N SER A 22 -4.495 5.623 4.213 1.00 0.00 N ATOM 268 CA SER A 22 -5.622 6.522 4.431 1.00 0.00 C ATOM 269 C SER A 22 -5.451 7.811 3.632 1.00 0.00 C ATOM 270 O SER A 22 -6.405 8.320 3.041 1.00 0.00 O ATOM 271 CB SER A 22 -5.763 6.846 5.919 1.00 0.00 C ATOM 272 OG SER A 22 -6.833 7.747 6.146 1.00 0.00 O ATOM 0 H SER A 22 -3.834 5.580 4.988 1.00 0.00 H new ATOM 0 HA SER A 22 -6.527 6.020 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.932 5.927 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.834 7.279 6.290 1.00 0.00 H new ATOM 0 HG SER A 22 -6.490 8.665 6.162 1.00 0.00 H new ATOM 278 N HIS A 23 -4.229 8.334 3.618 1.00 0.00 N ATOM 279 CA HIS A 23 -3.932 9.563 2.892 1.00 0.00 C ATOM 280 C HIS A 23 -2.433 9.846 2.894 1.00 0.00 C ATOM 281 O HIS A 23 -1.651 9.102 3.486 1.00 0.00 O ATOM 282 CB HIS A 23 -4.686 10.741 3.510 1.00 0.00 C ATOM 283 CG HIS A 23 -4.234 11.080 4.896 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.707 10.438 6.021 1.00 0.00 N ATOM 285 CD2 HIS A 23 -3.344 12.001 5.337 1.00 0.00 C ATOM 286 CE1 HIS A 23 -4.130 10.950 7.093 1.00 0.00 C ATOM 287 NE2 HIS A 23 -3.298 11.899 6.706 1.00 0.00 N ATOM 0 H HIS A 23 -3.429 7.926 4.101 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.258 9.434 1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.562 11.616 2.872 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.751 10.510 3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.776 12.687 4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.309 10.644 8.113 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.716 12.465 7.323 1.00 0.00 H new ATOM 296 N GLY A 24 -2.038 10.927 2.228 1.00 0.00 N ATOM 297 CA GLY A 24 -0.634 11.288 2.165 1.00 0.00 C ATOM 298 C GLY A 24 -0.397 12.557 1.371 1.00 0.00 C ATOM 299 O GLY A 24 -1.340 13.275 1.039 1.00 0.00 O ATOM 0 H GLY A 24 -2.666 11.559 1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.250 11.419 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.072 10.470 1.714 1.00 0.00 H new ATOM 303 N MET A 25 0.866 12.835 1.065 1.00 0.00 N ATOM 304 CA MET A 25 1.224 14.027 0.305 1.00 0.00 C ATOM 305 C MET A 25 2.293 13.708 -0.735 1.00 0.00 C ATOM 306 O MET A 25 3.078 12.775 -0.567 1.00 0.00 O ATOM 307 CB MET A 25 1.723 15.127 1.245 1.00 0.00 C ATOM 308 CG MET A 25 0.722 15.502 2.326 1.00 0.00 C ATOM 309 SD MET A 25 1.516 16.124 3.821 1.00 0.00 S ATOM 310 CE MET A 25 2.377 17.556 3.176 1.00 0.00 C ATOM 0 H MET A 25 1.659 12.251 1.332 1.00 0.00 H new ATOM 0 HA MET A 25 0.332 14.379 -0.213 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.649 14.798 1.717 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.962 16.014 0.659 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.041 16.260 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.119 14.629 2.576 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.799 18.129 4.001 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.178 17.230 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.678 18.181 2.621 1.00 0.00 H new ATOM 320 N VAL A 26 2.317 14.488 -1.811 1.00 0.00 N ATOM 321 CA VAL A 26 3.290 14.289 -2.878 1.00 0.00 C ATOM 322 C VAL A 26 4.715 14.460 -2.362 1.00 0.00 C ATOM 323 O VAL A 26 4.968 15.262 -1.464 1.00 0.00 O ATOM 324 CB VAL A 26 3.056 15.271 -4.042 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.006 14.973 -5.191 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.609 15.210 -4.506 1.00 0.00 C ATOM 0 H VAL A 26 1.673 15.264 -1.967 1.00 0.00 H new ATOM 0 HA VAL A 26 3.158 13.270 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 26 3.258 16.282 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.826 15.677 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.036 15.072 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.839 13.957 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.461 15.910 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.377 14.200 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.950 15.477 -3.680 1.00 0.00 H new ATOM 336 N ASN A 27 5.642 13.701 -2.937 1.00 0.00 N ATOM 337 CA ASN A 27 7.042 13.768 -2.535 1.00 0.00 C ATOM 338 C ASN A 27 7.235 13.188 -1.138 1.00 0.00 C ATOM 339 O ASN A 27 8.183 13.537 -0.433 1.00 0.00 O ATOM 340 CB ASN A 27 7.535 15.216 -2.571 1.00 0.00 C ATOM 341 CG ASN A 27 6.824 16.044 -3.624 1.00 0.00 C ATOM 342 OD1 ASN A 27 5.774 16.632 -3.363 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.394 16.092 -4.822 1.00 0.00 N ATOM 0 H ASN A 27 5.449 13.032 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 27 7.625 13.175 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.385 15.672 -1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.607 15.227 -2.767 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.961 16.632 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.265 15.589 -4.993 1.00 0.00 H new ATOM 350 N LYS A 28 6.331 12.298 -0.742 1.00 0.00 N ATOM 351 CA LYS A 28 6.402 11.666 0.570 1.00 0.00 C ATOM 352 C LYS A 28 6.028 10.190 0.483 1.00 0.00 C ATOM 353 O LYS A 28 4.931 9.826 0.060 1.00 0.00 O ATOM 354 CB LYS A 28 5.473 12.381 1.554 1.00 0.00 C ATOM 355 CG LYS A 28 5.841 13.836 1.790 1.00 0.00 C ATOM 356 CD LYS A 28 6.800 13.985 2.959 1.00 0.00 C ATOM 357 CE LYS A 28 8.245 13.808 2.521 1.00 0.00 C ATOM 358 NZ LYS A 28 9.202 14.269 3.564 1.00 0.00 N ATOM 0 H LYS A 28 5.540 11.998 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 28 7.429 11.743 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.451 12.330 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.490 11.852 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.297 14.248 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.937 14.414 1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.674 14.969 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.558 13.248 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.430 12.757 2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.416 14.365 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.176 14.131 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.043 15.278 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.057 13.720 4.435 1.00 0.00 H new ATOM 372 N PRO A 29 6.960 9.317 0.895 1.00 0.00 N ATOM 373 CA PRO A 29 6.750 7.867 0.875 1.00 0.00 C ATOM 374 C PRO A 29 5.729 7.415 1.913 1.00 0.00 C ATOM 375 O PRO A 29 6.031 7.339 3.103 1.00 0.00 O ATOM 376 CB PRO A 29 8.135 7.304 1.207 1.00 0.00 C ATOM 377 CG PRO A 29 8.810 8.387 1.976 1.00 0.00 C ATOM 378 CD PRO A 29 8.290 9.680 1.412 1.00 0.00 C ATOM 0 HA PRO A 29 6.353 7.526 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.060 6.389 1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.689 7.057 0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.587 8.308 3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.893 8.323 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.226 10.455 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.937 10.063 0.623 1.00 0.00 H new ATOM 386 N ALA A 30 4.518 7.115 1.453 1.00 0.00 N ATOM 387 CA ALA A 30 3.453 6.667 2.342 1.00 0.00 C ATOM 388 C ALA A 30 3.757 5.286 2.911 1.00 0.00 C ATOM 389 O ALA A 30 3.715 4.284 2.196 1.00 0.00 O ATOM 390 CB ALA A 30 2.122 6.656 1.605 1.00 0.00 C ATOM 0 H ALA A 30 4.251 7.174 0.470 1.00 0.00 H new ATOM 0 HA ALA A 30 3.389 7.367 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.335 6.320 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.893 7.662 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.183 5.979 0.753 1.00 0.00 H new ATOM 396 N THR A 31 4.063 5.238 4.204 1.00 0.00 N ATOM 397 CA THR A 31 4.376 3.980 4.869 1.00 0.00 C ATOM 398 C THR A 31 3.133 3.372 5.509 1.00 0.00 C ATOM 399 O THR A 31 2.306 4.083 6.080 1.00 0.00 O ATOM 400 CB THR A 31 5.456 4.169 5.951 1.00 0.00 C ATOM 401 OG1 THR A 31 4.930 4.938 7.039 1.00 0.00 O ATOM 402 CG2 THR A 31 6.680 4.865 5.377 1.00 0.00 C ATOM 0 H THR A 31 4.101 6.057 4.811 1.00 0.00 H new ATOM 0 HA THR A 31 4.755 3.304 4.103 1.00 0.00 H new ATOM 0 HB THR A 31 5.753 3.185 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.622 5.052 7.723 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.429 4.988 6.159 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.095 4.263 4.568 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.395 5.844 4.991 1.00 0.00 H new ATOM 410 N PHE A 32 3.007 2.053 5.411 1.00 0.00 N ATOM 411 CA PHE A 32 1.863 1.350 5.981 1.00 0.00 C ATOM 412 C PHE A 32 2.230 -0.089 6.335 1.00 0.00 C ATOM 413 O PHE A 32 3.223 -0.627 5.844 1.00 0.00 O ATOM 414 CB PHE A 32 0.689 1.362 4.999 1.00 0.00 C ATOM 415 CG PHE A 32 0.966 0.615 3.725 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.690 1.207 2.703 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.502 -0.678 3.550 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.945 0.523 1.530 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.754 -1.368 2.379 1.00 0.00 C ATOM 420 CZ PHE A 32 1.477 -0.766 1.368 1.00 0.00 C ATOM 0 H PHE A 32 3.683 1.449 4.942 1.00 0.00 H new ATOM 0 HA PHE A 32 1.569 1.867 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.185 0.926 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.438 2.395 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.059 2.215 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.064 -1.153 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.510 0.996 0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.386 -2.376 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.676 -1.303 0.452 1.00 0.00 H new ATOM 430 N THR A 33 1.422 -0.706 7.191 1.00 0.00 N ATOM 431 CA THR A 33 1.662 -2.080 7.613 1.00 0.00 C ATOM 432 C THR A 33 0.685 -3.039 6.942 1.00 0.00 C ATOM 433 O THR A 33 -0.499 -2.732 6.795 1.00 0.00 O ATOM 434 CB THR A 33 1.542 -2.228 9.141 1.00 0.00 C ATOM 435 OG1 THR A 33 2.738 -1.761 9.774 1.00 0.00 O ATOM 436 CG2 THR A 33 1.291 -3.678 9.526 1.00 0.00 C ATOM 0 H THR A 33 0.595 -0.276 7.606 1.00 0.00 H new ATOM 0 HA THR A 33 2.679 -2.331 7.311 1.00 0.00 H new ATOM 0 HB THR A 33 0.696 -1.628 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.653 -1.857 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.210 -3.758 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.364 -4.021 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.119 -4.295 9.178 1.00 0.00 H new ATOM 444 N ILE A 34 1.186 -4.202 6.539 1.00 0.00 N ATOM 445 CA ILE A 34 0.356 -5.206 5.886 1.00 0.00 C ATOM 446 C ILE A 34 0.227 -6.458 6.747 1.00 0.00 C ATOM 447 O ILE A 34 1.210 -7.156 6.998 1.00 0.00 O ATOM 448 CB ILE A 34 0.926 -5.600 4.510 1.00 0.00 C ATOM 449 CG1 ILE A 34 1.054 -4.366 3.615 1.00 0.00 C ATOM 450 CG2 ILE A 34 0.043 -6.649 3.852 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.788 -4.633 2.319 1.00 0.00 C ATOM 0 H ILE A 34 2.163 -4.472 6.653 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.629 -4.759 5.748 1.00 0.00 H new ATOM 0 HB ILE A 34 1.919 -6.027 4.653 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.058 -3.987 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.576 -3.582 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.459 -6.917 2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.002 -7.535 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.961 -6.247 3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.841 -3.714 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.797 -4.983 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.255 -5.395 1.749 1.00 0.00 H new ATOM 463 N VAL A 35 -0.992 -6.737 7.197 1.00 0.00 N ATOM 464 CA VAL A 35 -1.251 -7.907 8.028 1.00 0.00 C ATOM 465 C VAL A 35 -1.069 -9.196 7.235 1.00 0.00 C ATOM 466 O VAL A 35 -1.978 -9.638 6.530 1.00 0.00 O ATOM 467 CB VAL A 35 -2.674 -7.874 8.616 1.00 0.00 C ATOM 468 CG1 VAL A 35 -2.969 -9.160 9.373 1.00 0.00 C ATOM 469 CG2 VAL A 35 -2.850 -6.662 9.518 1.00 0.00 C ATOM 0 H VAL A 35 -1.816 -6.169 7.000 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.529 -7.882 8.844 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.386 -7.793 7.795 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.979 -9.118 9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.887 -10.009 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.253 -9.276 10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.861 -6.655 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.131 -6.709 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.684 -5.752 8.941 1.00 0.00 H new ATOM 479 N THR A 36 0.110 -9.797 7.354 1.00 0.00 N ATOM 480 CA THR A 36 0.412 -11.036 6.648 1.00 0.00 C ATOM 481 C THR A 36 0.926 -12.104 7.606 1.00 0.00 C ATOM 482 O THR A 36 1.762 -12.931 7.240 1.00 0.00 O ATOM 483 CB THR A 36 1.458 -10.810 5.540 1.00 0.00 C ATOM 484 OG1 THR A 36 2.625 -10.187 6.087 1.00 0.00 O ATOM 485 CG2 THR A 36 0.888 -9.943 4.427 1.00 0.00 C ATOM 0 H THR A 36 0.872 -9.446 7.933 1.00 0.00 H new ATOM 0 HA THR A 36 -0.519 -11.377 6.195 1.00 0.00 H new ATOM 0 HB THR A 36 1.727 -11.780 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.202 -9.877 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.644 -9.797 3.656 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.017 -10.434 3.993 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.593 -8.976 4.834 1.00 0.00 H new ATOM 493 N LYS A 37 0.421 -12.082 8.835 1.00 0.00 N ATOM 494 CA LYS A 37 0.827 -13.050 9.847 1.00 0.00 C ATOM 495 C LYS A 37 0.110 -14.381 9.646 1.00 0.00 C ATOM 496 O LYS A 37 0.747 -15.423 9.490 1.00 0.00 O ATOM 497 CB LYS A 37 0.535 -12.508 11.248 1.00 0.00 C ATOM 498 CG LYS A 37 0.564 -13.572 12.330 1.00 0.00 C ATOM 499 CD LYS A 37 0.949 -12.986 13.679 1.00 0.00 C ATOM 500 CE LYS A 37 1.584 -14.033 14.580 1.00 0.00 C ATOM 501 NZ LYS A 37 0.583 -15.015 15.082 1.00 0.00 N ATOM 0 H LYS A 37 -0.271 -11.404 9.154 1.00 0.00 H new ATOM 0 HA LYS A 37 1.899 -13.216 9.745 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.266 -11.736 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.445 -12.030 11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.416 -14.044 12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.274 -14.352 12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.645 -12.160 13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.064 -12.575 14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.365 -14.559 14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.065 -13.541 15.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.056 -15.712 15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.149 -14.517 15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.142 -15.503 14.277 1.00 0.00 H new ATOM 573 N LEU A 44 1.379 -12.876 -2.511 1.00 0.00 N ATOM 574 CA LEU A 44 0.801 -11.540 -2.412 1.00 0.00 C ATOM 575 C LEU A 44 1.234 -10.671 -3.588 1.00 0.00 C ATOM 576 O LEU A 44 2.336 -10.825 -4.115 1.00 0.00 O ATOM 577 CB LEU A 44 1.215 -10.880 -1.096 1.00 0.00 C ATOM 578 CG LEU A 44 0.517 -9.563 -0.756 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.877 -9.825 -0.205 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.344 -8.762 0.239 1.00 0.00 C ATOM 0 HA LEU A 44 -0.284 -11.638 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.031 -11.585 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.290 -10.701 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 44 0.420 -8.978 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.359 -8.876 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.469 -10.357 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.803 -10.430 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.832 -7.828 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.473 -9.340 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.321 -8.543 -0.192 1.00 0.00 H new ATOM 592 N SER A 45 0.360 -9.755 -3.994 1.00 0.00 N ATOM 593 CA SER A 45 0.651 -8.861 -5.109 1.00 0.00 C ATOM 594 C SER A 45 0.486 -7.403 -4.693 1.00 0.00 C ATOM 595 O SER A 45 -0.515 -7.028 -4.081 1.00 0.00 O ATOM 596 CB SER A 45 -0.267 -9.173 -6.293 1.00 0.00 C ATOM 597 OG SER A 45 -1.572 -8.668 -6.073 1.00 0.00 O ATOM 0 H SER A 45 -0.555 -9.613 -3.567 1.00 0.00 H new ATOM 0 HA SER A 45 1.687 -9.020 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.146 -8.737 -7.203 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.312 -10.251 -6.448 1.00 0.00 H new ATOM 0 HG SER A 45 -1.631 -7.753 -6.418 1.00 0.00 H new ATOM 603 N LEU A 46 1.476 -6.583 -5.031 1.00 0.00 N ATOM 604 CA LEU A 46 1.443 -5.164 -4.693 1.00 0.00 C ATOM 605 C LEU A 46 1.559 -4.304 -5.947 1.00 0.00 C ATOM 606 O LEU A 46 2.458 -4.498 -6.765 1.00 0.00 O ATOM 607 CB LEU A 46 2.574 -4.824 -3.721 1.00 0.00 C ATOM 608 CG LEU A 46 2.310 -5.137 -2.248 1.00 0.00 C ATOM 609 CD1 LEU A 46 3.606 -5.099 -1.453 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.298 -4.159 -1.669 1.00 0.00 C ATOM 0 H LEU A 46 2.311 -6.876 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 46 0.487 -4.951 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.468 -5.364 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.797 -3.761 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 46 1.895 -6.143 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.398 -5.324 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.300 -5.839 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.050 -4.107 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.122 -4.396 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.685 -3.143 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.361 -4.236 -2.221 1.00 0.00 H new ATOM 622 N ALA A 47 0.644 -3.350 -6.091 1.00 0.00 N ATOM 623 CA ALA A 47 0.646 -2.457 -7.243 1.00 0.00 C ATOM 624 C ALA A 47 -0.130 -1.178 -6.947 1.00 0.00 C ATOM 625 O ALA A 47 -1.217 -1.219 -6.371 1.00 0.00 O ATOM 626 CB ALA A 47 0.063 -3.162 -8.458 1.00 0.00 C ATOM 0 H ALA A 47 -0.108 -3.176 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 47 1.679 -2.182 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.071 -2.483 -9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.662 -4.043 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.962 -3.466 -8.245 1.00 0.00 H new ATOM 632 N VAL A 48 0.436 -0.042 -7.345 1.00 0.00 N ATOM 633 CA VAL A 48 -0.204 1.249 -7.122 1.00 0.00 C ATOM 634 C VAL A 48 -0.613 1.894 -8.442 1.00 0.00 C ATOM 635 O VAL A 48 0.214 2.084 -9.333 1.00 0.00 O ATOM 636 CB VAL A 48 0.725 2.211 -6.359 1.00 0.00 C ATOM 637 CG1 VAL A 48 0.111 3.601 -6.285 1.00 0.00 C ATOM 638 CG2 VAL A 48 1.020 1.675 -4.967 1.00 0.00 C ATOM 0 H VAL A 48 1.336 0.010 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.094 1.062 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 48 1.667 2.285 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.782 4.267 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.043 3.985 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.846 3.549 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.678 2.368 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.088 1.570 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.506 0.703 -5.047 1.00 0.00 H new ATOM 648 N GLU A 49 -1.894 2.228 -8.559 1.00 0.00 N ATOM 649 CA GLU A 49 -2.412 2.852 -9.771 1.00 0.00 C ATOM 650 C GLU A 49 -3.086 4.183 -9.452 1.00 0.00 C ATOM 651 O GLU A 49 -4.202 4.219 -8.934 1.00 0.00 O ATOM 652 CB GLU A 49 -3.406 1.919 -10.466 1.00 0.00 C ATOM 653 CG GLU A 49 -2.743 0.794 -11.244 1.00 0.00 C ATOM 654 CD GLU A 49 -3.629 0.245 -12.345 1.00 0.00 C ATOM 655 OE1 GLU A 49 -3.709 0.884 -13.416 1.00 0.00 O ATOM 656 OE2 GLU A 49 -4.242 -0.822 -12.137 1.00 0.00 O ATOM 0 H GLU A 49 -2.592 2.077 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.572 3.040 -10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.072 1.489 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.026 2.504 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.812 1.158 -11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.481 -0.012 -10.558 1.00 0.00 H new ATOM 663 N GLY A 50 -2.399 5.278 -9.765 1.00 0.00 N ATOM 664 CA GLY A 50 -2.945 6.597 -9.504 1.00 0.00 C ATOM 665 C GLY A 50 -2.577 7.600 -10.579 1.00 0.00 C ATOM 666 O GLY A 50 -2.372 7.249 -11.741 1.00 0.00 O ATOM 0 H GLY A 50 -1.474 5.275 -10.195 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.030 6.529 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.582 6.953 -8.540 1.00 0.00 H new ATOM 670 N PRO A 51 -2.489 8.881 -10.193 1.00 0.00 N ATOM 671 CA PRO A 51 -2.143 9.965 -11.118 1.00 0.00 C ATOM 672 C PRO A 51 -0.689 9.899 -11.571 1.00 0.00 C ATOM 673 O PRO A 51 -0.245 10.707 -12.386 1.00 0.00 O ATOM 674 CB PRO A 51 -2.390 11.229 -10.291 1.00 0.00 C ATOM 675 CG PRO A 51 -2.232 10.793 -8.876 1.00 0.00 C ATOM 676 CD PRO A 51 -2.719 9.371 -8.824 1.00 0.00 C ATOM 0 HA PRO A 51 -2.728 9.919 -12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.678 12.014 -10.545 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.386 11.632 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.191 10.861 -8.561 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.810 11.428 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.168 8.784 -8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.773 9.317 -8.550 1.00 0.00 H new ATOM 684 N SER A 52 0.049 8.931 -11.037 1.00 0.00 N ATOM 685 CA SER A 52 1.456 8.762 -11.383 1.00 0.00 C ATOM 686 C SER A 52 2.015 7.480 -10.775 1.00 0.00 C ATOM 687 O SER A 52 1.646 7.092 -9.666 1.00 0.00 O ATOM 688 CB SER A 52 2.269 9.966 -10.903 1.00 0.00 C ATOM 689 OG SER A 52 3.553 9.986 -11.503 1.00 0.00 O ATOM 0 H SER A 52 -0.304 8.252 -10.363 1.00 0.00 H new ATOM 0 HA SER A 52 1.532 8.691 -12.468 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.737 10.887 -11.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.371 9.931 -9.818 1.00 0.00 H new ATOM 0 HG SER A 52 3.723 10.874 -11.881 1.00 0.00 H new ATOM 695 N LYS A 53 2.909 6.825 -11.508 1.00 0.00 N ATOM 696 CA LYS A 53 3.522 5.587 -11.043 1.00 0.00 C ATOM 697 C LYS A 53 4.426 5.846 -9.842 1.00 0.00 C ATOM 698 O LYS A 53 5.478 6.473 -9.968 1.00 0.00 O ATOM 699 CB LYS A 53 4.327 4.937 -12.170 1.00 0.00 C ATOM 700 CG LYS A 53 4.726 3.500 -11.882 1.00 0.00 C ATOM 701 CD LYS A 53 5.577 2.923 -13.001 1.00 0.00 C ATOM 702 CE LYS A 53 7.050 3.245 -12.804 1.00 0.00 C ATOM 703 NZ LYS A 53 7.409 4.573 -13.376 1.00 0.00 N ATOM 0 H LYS A 53 3.225 7.132 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 53 2.725 4.909 -10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.740 4.965 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.226 5.526 -12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.279 3.456 -10.944 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.831 2.892 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.442 1.842 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.241 3.322 -13.958 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.285 3.232 -11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.657 2.471 -13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.238 4.472 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.608 4.941 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.631 5.234 -12.605 1.00 0.00 H new ATOM 717 N ALA A 54 4.010 5.358 -8.678 1.00 0.00 N ATOM 718 CA ALA A 54 4.785 5.533 -7.455 1.00 0.00 C ATOM 719 C ALA A 54 5.553 4.263 -7.105 1.00 0.00 C ATOM 720 O ALA A 54 4.965 3.192 -6.960 1.00 0.00 O ATOM 721 CB ALA A 54 3.873 5.934 -6.306 1.00 0.00 C ATOM 0 H ALA A 54 3.141 4.838 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 54 5.510 6.329 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.465 6.061 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.374 6.872 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.126 5.156 -6.146 1.00 0.00 H new ATOM 727 N GLU A 55 6.870 4.391 -6.971 1.00 0.00 N ATOM 728 CA GLU A 55 7.717 3.252 -6.639 1.00 0.00 C ATOM 729 C GLU A 55 7.294 2.627 -5.313 1.00 0.00 C ATOM 730 O GLU A 55 7.196 3.312 -4.295 1.00 0.00 O ATOM 731 CB GLU A 55 9.184 3.684 -6.566 1.00 0.00 C ATOM 732 CG GLU A 55 9.533 4.440 -5.296 1.00 0.00 C ATOM 733 CD GLU A 55 10.819 5.234 -5.424 1.00 0.00 C ATOM 734 OE1 GLU A 55 10.823 6.243 -6.159 1.00 0.00 O ATOM 735 OE2 GLU A 55 11.822 4.844 -4.789 1.00 0.00 O ATOM 0 H GLU A 55 7.372 5.271 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 55 7.603 2.506 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.818 2.800 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.412 4.312 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.716 5.117 -5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.627 3.733 -4.471 1.00 0.00 H new ATOM 742 N ILE A 56 7.042 1.322 -5.335 1.00 0.00 N ATOM 743 CA ILE A 56 6.630 0.604 -4.136 1.00 0.00 C ATOM 744 C ILE A 56 7.762 -0.265 -3.599 1.00 0.00 C ATOM 745 O ILE A 56 8.299 -1.115 -4.310 1.00 0.00 O ATOM 746 CB ILE A 56 5.400 -0.284 -4.406 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.344 0.496 -5.193 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.820 -0.798 -3.097 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.497 -0.375 -6.094 1.00 0.00 C ATOM 0 H ILE A 56 7.116 0.741 -6.170 1.00 0.00 H new ATOM 0 HA ILE A 56 6.369 1.357 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 56 5.713 -1.141 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.694 1.020 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.840 1.256 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.952 -1.424 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.573 -1.385 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.519 0.046 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.771 0.244 -6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.137 -0.879 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.973 -1.118 -5.493 1.00 0.00 H new ATOM 761 N THR A 57 8.119 -0.048 -2.337 1.00 0.00 N ATOM 762 CA THR A 57 9.187 -0.812 -1.703 1.00 0.00 C ATOM 763 C THR A 57 8.652 -2.102 -1.092 1.00 0.00 C ATOM 764 O THR A 57 7.458 -2.391 -1.176 1.00 0.00 O ATOM 765 CB THR A 57 9.890 0.010 -0.606 1.00 0.00 C ATOM 766 OG1 THR A 57 8.976 0.957 -0.042 1.00 0.00 O ATOM 767 CG2 THR A 57 11.101 0.739 -1.168 1.00 0.00 C ATOM 0 H THR A 57 7.684 0.650 -1.734 1.00 0.00 H new ATOM 0 HA THR A 57 9.908 -1.055 -2.483 1.00 0.00 H new ATOM 0 HB THR A 57 10.227 -0.676 0.171 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.109 1.003 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.581 1.313 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.808 0.013 -1.570 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.783 1.414 -1.962 1.00 0.00 H new ATOM 775 N CYS A 58 9.542 -2.873 -0.478 1.00 0.00 N ATOM 776 CA CYS A 58 9.159 -4.134 0.147 1.00 0.00 C ATOM 777 C CYS A 58 10.202 -4.573 1.170 1.00 0.00 C ATOM 778 O CYS A 58 11.369 -4.777 0.836 1.00 0.00 O ATOM 779 CB CYS A 58 8.980 -5.221 -0.915 1.00 0.00 C ATOM 780 SG CYS A 58 10.471 -5.562 -1.879 1.00 0.00 S ATOM 0 H CYS A 58 10.534 -2.647 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 58 8.211 -3.981 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.657 -6.141 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.181 -4.923 -1.594 1.00 0.00 H new ATOM 0 HG CYS A 58 11.521 -5.352 -1.142 1.00 0.00 H new ATOM 786 N LYS A 59 9.773 -4.713 2.420 1.00 0.00 N ATOM 787 CA LYS A 59 10.669 -5.127 3.494 1.00 0.00 C ATOM 788 C LYS A 59 10.151 -6.388 4.179 1.00 0.00 C ATOM 789 O LYS A 59 8.946 -6.636 4.215 1.00 0.00 O ATOM 790 CB LYS A 59 10.821 -4.002 4.521 1.00 0.00 C ATOM 791 CG LYS A 59 12.170 -3.994 5.219 1.00 0.00 C ATOM 792 CD LYS A 59 13.255 -3.410 4.330 1.00 0.00 C ATOM 793 CE LYS A 59 14.546 -3.185 5.101 1.00 0.00 C ATOM 794 NZ LYS A 59 15.406 -4.402 5.110 1.00 0.00 N ATOM 0 H LYS A 59 8.811 -4.546 2.714 1.00 0.00 H new ATOM 0 HA LYS A 59 11.643 -5.346 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.674 -3.044 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.034 -4.096 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.101 -3.414 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.440 -5.011 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.442 -4.083 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.912 -2.465 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.095 -2.355 4.656 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.312 -2.898 6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.276 -4.208 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.892 -5.187 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.651 -4.661 4.133 1.00 0.00 H new ATOM 808 N ASP A 60 11.069 -7.179 4.723 1.00 0.00 N ATOM 809 CA ASP A 60 10.704 -8.413 5.410 1.00 0.00 C ATOM 810 C ASP A 60 10.920 -8.282 6.914 1.00 0.00 C ATOM 811 O ASP A 60 12.037 -8.048 7.372 1.00 0.00 O ATOM 812 CB ASP A 60 11.522 -9.585 4.865 1.00 0.00 C ATOM 813 CG ASP A 60 10.770 -10.900 4.939 1.00 0.00 C ATOM 814 OD1 ASP A 60 9.575 -10.920 4.580 1.00 0.00 O ATOM 815 OD2 ASP A 60 11.377 -11.908 5.358 1.00 0.00 O ATOM 0 H ASP A 60 12.071 -6.988 4.702 1.00 0.00 H new ATOM 0 HA ASP A 60 9.646 -8.602 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.795 -9.383 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.451 -9.669 5.429 1.00 0.00 H new ATOM 820 N ASN A 61 9.842 -8.434 7.677 1.00 0.00 N ATOM 821 CA ASN A 61 9.914 -8.331 9.130 1.00 0.00 C ATOM 822 C ASN A 61 10.192 -9.693 9.759 1.00 0.00 C ATOM 823 O ASN A 61 10.841 -9.787 10.801 1.00 0.00 O ATOM 824 CB ASN A 61 8.609 -7.757 9.686 1.00 0.00 C ATOM 825 CG ASN A 61 8.342 -6.347 9.196 1.00 0.00 C ATOM 826 OD1 ASN A 61 9.040 -5.405 9.573 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.328 -6.195 8.352 1.00 0.00 N ATOM 0 H ASN A 61 8.909 -8.629 7.313 1.00 0.00 H new ATOM 0 HA ASN A 61 10.735 -7.660 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.779 -8.402 9.397 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.650 -7.759 10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.101 -5.269 7.989 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.776 -7.004 8.067 1.00 0.00 H new ATOM 834 N LYS A 62 9.698 -10.746 9.118 1.00 0.00 N ATOM 835 CA LYS A 62 9.894 -12.104 9.612 1.00 0.00 C ATOM 836 C LYS A 62 9.242 -12.285 10.979 1.00 0.00 C ATOM 837 O LYS A 62 9.729 -13.049 11.813 1.00 0.00 O ATOM 838 CB LYS A 62 11.388 -12.426 9.701 1.00 0.00 C ATOM 839 CG LYS A 62 11.991 -12.882 8.384 1.00 0.00 C ATOM 840 CD LYS A 62 11.669 -14.339 8.097 1.00 0.00 C ATOM 841 CE LYS A 62 12.498 -14.876 6.941 1.00 0.00 C ATOM 842 NZ LYS A 62 13.910 -15.127 7.340 1.00 0.00 N ATOM 0 H LYS A 62 9.158 -10.685 8.255 1.00 0.00 H new ATOM 0 HA LYS A 62 9.422 -12.791 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.922 -11.541 10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.540 -13.204 10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.612 -12.259 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.072 -12.746 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.857 -14.937 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.609 -14.439 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.054 -15.802 6.575 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.475 -14.164 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.407 -15.617 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.382 -14.221 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.929 -15.719 8.195 1.00 0.00 H new ATOM 856 N ASP A 63 8.138 -11.580 11.201 1.00 0.00 N ATOM 857 CA ASP A 63 7.418 -11.665 12.466 1.00 0.00 C ATOM 858 C ASP A 63 5.931 -11.907 12.229 1.00 0.00 C ATOM 859 O ASP A 63 5.251 -12.517 13.054 1.00 0.00 O ATOM 860 CB ASP A 63 7.616 -10.384 13.277 1.00 0.00 C ATOM 861 CG ASP A 63 7.370 -10.593 14.759 1.00 0.00 C ATOM 862 OD1 ASP A 63 7.807 -11.635 15.292 1.00 0.00 O ATOM 863 OD2 ASP A 63 6.742 -9.715 15.385 1.00 0.00 O ATOM 0 H ASP A 63 7.722 -10.943 10.521 1.00 0.00 H new ATOM 0 HA ASP A 63 7.820 -12.508 13.029 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.631 -10.017 13.128 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.941 -9.614 12.905 1.00 0.00 H new ATOM 868 N GLY A 64 5.431 -11.425 11.095 1.00 0.00 N ATOM 869 CA GLY A 64 4.027 -11.598 10.771 1.00 0.00 C ATOM 870 C GLY A 64 3.425 -10.366 10.125 1.00 0.00 C ATOM 871 O GLY A 64 2.235 -10.090 10.283 1.00 0.00 O ATOM 0 H GLY A 64 5.973 -10.918 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.915 -12.449 10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.474 -11.835 11.680 1.00 0.00 H new ATOM 875 N THR A 65 4.249 -9.620 9.395 1.00 0.00 N ATOM 876 CA THR A 65 3.792 -8.409 8.725 1.00 0.00 C ATOM 877 C THR A 65 4.737 -8.015 7.596 1.00 0.00 C ATOM 878 O THR A 65 5.820 -8.585 7.453 1.00 0.00 O ATOM 879 CB THR A 65 3.672 -7.232 9.712 1.00 0.00 C ATOM 880 OG1 THR A 65 4.956 -6.923 10.264 1.00 0.00 O ATOM 881 CG2 THR A 65 2.698 -7.564 10.832 1.00 0.00 C ATOM 0 H THR A 65 5.236 -9.834 9.253 1.00 0.00 H new ATOM 0 HA THR A 65 2.808 -8.629 8.311 1.00 0.00 H new ATOM 0 HB THR A 65 3.294 -6.366 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.871 -6.173 10.889 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.629 -6.719 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.714 -7.770 10.410 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.051 -8.442 11.373 1.00 0.00 H new ATOM 889 N CYS A 66 4.323 -7.039 6.796 1.00 0.00 N ATOM 890 CA CYS A 66 5.133 -6.569 5.679 1.00 0.00 C ATOM 891 C CYS A 66 5.146 -5.045 5.619 1.00 0.00 C ATOM 892 O CYS A 66 4.095 -4.406 5.560 1.00 0.00 O ATOM 893 CB CYS A 66 4.603 -7.138 4.362 1.00 0.00 C ATOM 894 SG CYS A 66 5.189 -8.808 3.991 1.00 0.00 S ATOM 0 H CYS A 66 3.430 -6.557 6.901 1.00 0.00 H new ATOM 0 HA CYS A 66 6.154 -6.917 5.832 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.513 -7.145 4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.893 -6.473 3.548 1.00 0.00 H new ATOM 0 HG CYS A 66 4.685 -9.203 2.860 1.00 0.00 H new ATOM 900 N THR A 67 6.343 -4.467 5.637 1.00 0.00 N ATOM 901 CA THR A 67 6.494 -3.018 5.588 1.00 0.00 C ATOM 902 C THR A 67 6.693 -2.534 4.156 1.00 0.00 C ATOM 903 O THR A 67 7.628 -2.952 3.473 1.00 0.00 O ATOM 904 CB THR A 67 7.682 -2.547 6.447 1.00 0.00 C ATOM 905 OG1 THR A 67 7.475 -2.918 7.814 1.00 0.00 O ATOM 906 CG2 THR A 67 7.859 -1.040 6.346 1.00 0.00 C ATOM 0 H THR A 67 7.223 -4.981 5.685 1.00 0.00 H new ATOM 0 HA THR A 67 5.575 -2.591 5.988 1.00 0.00 H new ATOM 0 HB THR A 67 8.586 -3.028 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.236 -2.617 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.704 -0.731 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.046 -0.764 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.954 -0.543 6.696 1.00 0.00 H new ATOM 914 N VAL A 68 5.808 -1.650 3.706 1.00 0.00 N ATOM 915 CA VAL A 68 5.888 -1.107 2.355 1.00 0.00 C ATOM 916 C VAL A 68 5.726 0.409 2.362 1.00 0.00 C ATOM 917 O VAL A 68 5.107 0.973 3.263 1.00 0.00 O ATOM 918 CB VAL A 68 4.815 -1.724 1.438 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.982 -1.225 0.011 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.878 -3.243 1.492 1.00 0.00 C ATOM 0 H VAL A 68 5.027 -1.295 4.258 1.00 0.00 H new ATOM 0 HA VAL A 68 6.875 -1.362 1.969 1.00 0.00 H new ATOM 0 HB VAL A 68 3.833 -1.411 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.216 -1.671 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.883 -0.140 -0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.968 -1.506 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.113 -3.662 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.861 -3.578 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.705 -3.578 2.515 1.00 0.00 H new ATOM 930 N SER A 69 6.287 1.062 1.349 1.00 0.00 N ATOM 931 CA SER A 69 6.208 2.514 1.239 1.00 0.00 C ATOM 932 C SER A 69 6.167 2.947 -0.223 1.00 0.00 C ATOM 933 O SER A 69 7.011 2.545 -1.025 1.00 0.00 O ATOM 934 CB SER A 69 7.399 3.166 1.943 1.00 0.00 C ATOM 935 OG SER A 69 7.559 2.655 3.255 1.00 0.00 O ATOM 0 H SER A 69 6.801 0.609 0.593 1.00 0.00 H new ATOM 0 HA SER A 69 5.287 2.840 1.722 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.307 2.989 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.254 4.245 1.985 1.00 0.00 H new ATOM 0 HG SER A 69 8.473 2.827 3.564 1.00 0.00 H new ATOM 941 N TYR A 70 5.180 3.768 -0.563 1.00 0.00 N ATOM 942 CA TYR A 70 5.027 4.254 -1.929 1.00 0.00 C ATOM 943 C TYR A 70 5.205 5.768 -1.992 1.00 0.00 C ATOM 944 O TYR A 70 4.583 6.511 -1.232 1.00 0.00 O ATOM 945 CB TYR A 70 3.652 3.869 -2.479 1.00 0.00 C ATOM 946 CG TYR A 70 2.520 4.695 -1.913 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.288 5.990 -2.360 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.683 4.182 -0.929 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.255 6.749 -1.845 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.647 4.933 -0.410 1.00 0.00 C ATOM 951 CZ TYR A 70 0.437 6.216 -0.870 1.00 0.00 C ATOM 952 OH TYR A 70 -0.593 6.968 -0.354 1.00 0.00 O ATOM 0 H TYR A 70 4.474 4.111 0.088 1.00 0.00 H new ATOM 0 HA TYR A 70 5.800 3.789 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.661 3.976 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.466 2.817 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.926 6.410 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.846 3.179 -0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.089 7.754 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.004 4.518 0.352 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.959 6.522 0.438 1.00 0.00 H new ATOM 962 N LEU A 71 6.060 6.219 -2.904 1.00 0.00 N ATOM 963 CA LEU A 71 6.322 7.645 -3.069 1.00 0.00 C ATOM 964 C LEU A 71 5.624 8.186 -4.312 1.00 0.00 C ATOM 965 O LEU A 71 6.065 7.978 -5.442 1.00 0.00 O ATOM 966 CB LEU A 71 7.827 7.899 -3.164 1.00 0.00 C ATOM 967 CG LEU A 71 8.245 9.325 -3.523 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.271 10.203 -2.281 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.605 9.326 -4.207 1.00 0.00 C ATOM 0 H LEU A 71 6.584 5.618 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 71 5.926 8.166 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.280 7.639 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.243 7.221 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 71 7.511 9.734 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.571 11.214 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.278 10.228 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.983 9.796 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.887 10.349 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.350 8.897 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.554 8.732 -5.120 1.00 0.00 H new ATOM 981 N PRO A 72 4.508 8.901 -4.101 1.00 0.00 N ATOM 982 CA PRO A 72 3.727 9.490 -5.192 1.00 0.00 C ATOM 983 C PRO A 72 4.456 10.645 -5.869 1.00 0.00 C ATOM 984 O PRO A 72 5.372 11.236 -5.297 1.00 0.00 O ATOM 985 CB PRO A 72 2.462 9.993 -4.492 1.00 0.00 C ATOM 986 CG PRO A 72 2.878 10.227 -3.080 1.00 0.00 C ATOM 987 CD PRO A 72 3.925 9.189 -2.780 1.00 0.00 C ATOM 0 HA PRO A 72 3.533 8.771 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.092 10.909 -4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.658 9.259 -4.552 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.278 11.233 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.029 10.133 -2.402 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.675 9.564 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.489 8.297 -2.330 1.00 0.00 H new ATOM 995 N THR A 73 4.044 10.964 -7.092 1.00 0.00 N ATOM 996 CA THR A 73 4.658 12.048 -7.848 1.00 0.00 C ATOM 997 C THR A 73 3.674 13.190 -8.070 1.00 0.00 C ATOM 998 O THR A 73 4.069 14.351 -8.182 1.00 0.00 O ATOM 999 CB THR A 73 5.176 11.559 -9.213 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.976 10.384 -9.042 1.00 0.00 O ATOM 1001 CG2 THR A 73 5.996 12.640 -9.901 1.00 0.00 C ATOM 0 H THR A 73 3.287 10.486 -7.580 1.00 0.00 H new ATOM 0 HA THR A 73 5.500 12.407 -7.256 1.00 0.00 H new ATOM 0 HB THR A 73 4.315 11.324 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.300 10.079 -9.915 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.351 12.271 -10.863 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.376 13.523 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.850 12.902 -9.276 1.00 0.00 H new ATOM 1009 N ALA A 74 2.389 12.855 -8.133 1.00 0.00 N ATOM 1010 CA ALA A 74 1.348 13.853 -8.339 1.00 0.00 C ATOM 1011 C ALA A 74 0.182 13.637 -7.380 1.00 0.00 C ATOM 1012 O ALA A 74 -0.138 12.511 -6.997 1.00 0.00 O ATOM 1013 CB ALA A 74 0.861 13.818 -9.780 1.00 0.00 C ATOM 0 H ALA A 74 2.045 11.899 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 74 1.775 14.835 -8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.083 14.569 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.694 14.029 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.456 12.831 -10.003 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.469 14.739 -6.980 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.609 14.695 -6.060 1.00 0.00 C ATOM 1021 C PRO A 75 -2.848 14.077 -6.701 1.00 0.00 C ATOM 1022 O PRO A 75 -3.142 14.324 -7.870 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.857 16.169 -5.731 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.315 16.915 -6.902 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.142 16.113 -7.396 1.00 0.00 C ATOM 0 HA PRO A 75 -1.403 14.078 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.919 16.370 -5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.353 16.459 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.070 17.022 -7.680 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.008 17.921 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.030 16.189 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.794 16.455 -6.953 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.570 13.273 -5.927 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.768 12.633 -6.437 1.00 0.00 C ATOM 1035 C GLY A 76 -5.157 11.406 -5.635 1.00 0.00 C ATOM 1036 O GLY A 76 -4.767 11.265 -4.476 1.00 0.00 O ATOM 0 H GLY A 76 -3.347 13.054 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.591 13.347 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.609 12.348 -7.477 1.00 0.00 H new ATOM 1040 N ASP A 77 -5.928 10.518 -6.252 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.370 9.297 -5.588 1.00 0.00 C ATOM 1042 C ASP A 77 -5.604 8.086 -6.110 1.00 0.00 C ATOM 1043 O ASP A 77 -5.774 7.680 -7.260 1.00 0.00 O ATOM 1044 CB ASP A 77 -7.872 9.094 -5.794 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.285 9.258 -7.244 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.422 10.415 -7.694 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -8.469 8.230 -7.927 1.00 0.00 O ATOM 0 H ASP A 77 -6.260 10.620 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.168 9.399 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.152 8.098 -5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.420 9.809 -5.180 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.760 7.514 -5.259 1.00 0.00 N ATOM 1053 CA TYR A 78 -3.965 6.351 -5.636 1.00 0.00 C ATOM 1054 C TYR A 78 -4.697 5.057 -5.294 1.00 0.00 C ATOM 1055 O TYR A 78 -5.376 4.966 -4.271 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.608 6.385 -4.930 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.658 7.416 -5.495 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.851 8.771 -5.257 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.566 7.035 -6.265 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -0.985 9.717 -5.772 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.306 7.974 -6.782 1.00 0.00 C ATOM 1062 CZ TYR A 78 0.092 9.314 -6.533 1.00 0.00 C ATOM 1063 OH TYR A 78 0.957 10.252 -7.046 1.00 0.00 O ATOM 0 H TYR A 78 -4.608 7.837 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.807 6.384 -6.714 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.764 6.589 -3.871 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.146 5.400 -5.001 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.692 9.091 -4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.396 5.987 -6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.151 10.767 -5.579 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.151 7.661 -7.378 1.00 0.00 H new ATOM 0 HH TYR A 78 0.692 11.144 -6.738 1.00 0.00 H new ATOM 1073 N SER A 79 -4.552 4.057 -6.158 1.00 0.00 N ATOM 1074 CA SER A 79 -5.201 2.768 -5.951 1.00 0.00 C ATOM 1075 C SER A 79 -4.182 1.705 -5.551 1.00 0.00 C ATOM 1076 O SER A 79 -3.254 1.405 -6.303 1.00 0.00 O ATOM 1077 CB SER A 79 -5.937 2.334 -7.220 1.00 0.00 C ATOM 1078 OG SER A 79 -7.113 1.608 -6.905 1.00 0.00 O ATOM 0 H SER A 79 -3.991 4.115 -7.008 1.00 0.00 H new ATOM 0 HA SER A 79 -5.922 2.878 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.196 3.212 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.279 1.718 -7.833 1.00 0.00 H new ATOM 0 HG SER A 79 -7.566 1.344 -7.733 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.362 1.139 -4.363 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.460 0.109 -3.863 1.00 0.00 C ATOM 1086 C ILE A 80 -4.108 -1.270 -3.931 1.00 0.00 C ATOM 1087 O ILE A 80 -4.865 -1.656 -3.039 1.00 0.00 O ATOM 1088 CB ILE A 80 -3.033 0.391 -2.411 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -2.356 1.760 -2.312 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -2.102 -0.703 -1.910 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.528 2.424 -0.964 1.00 0.00 C ATOM 0 H ILE A 80 -5.124 1.376 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.578 0.125 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.923 0.400 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.292 1.646 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.762 2.414 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.809 -0.489 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.616 -1.664 -1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.213 -0.741 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.022 3.390 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.589 2.571 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.096 1.791 -0.189 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.806 -2.008 -4.994 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.356 -3.345 -5.176 1.00 0.00 C ATOM 1105 C ILE A 81 -3.523 -4.388 -4.440 1.00 0.00 C ATOM 1106 O ILE A 81 -2.303 -4.448 -4.598 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.433 -3.723 -6.667 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.120 -2.613 -7.463 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -5.170 -5.042 -6.842 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.790 -2.634 -8.940 1.00 0.00 C ATOM 0 H ILE A 81 -3.183 -1.702 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.364 -3.331 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.419 -3.843 -7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.199 -2.703 -7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.831 -1.647 -7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.216 -5.295 -7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.641 -5.828 -6.303 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.182 -4.949 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.312 -1.819 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.715 -2.513 -9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.105 -3.585 -9.370 1.00 0.00 H new ATOM 1122 N VAL A 82 -4.189 -5.211 -3.637 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.511 -6.255 -2.878 1.00 0.00 C ATOM 1124 C VAL A 82 -4.215 -7.597 -3.039 1.00 0.00 C ATOM 1125 O VAL A 82 -5.288 -7.818 -2.476 1.00 0.00 O ATOM 1126 CB VAL A 82 -3.437 -5.902 -1.380 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.784 -7.031 -0.598 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.683 -4.596 -1.178 1.00 0.00 C ATOM 0 H VAL A 82 -5.198 -5.175 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.499 -6.329 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.452 -5.771 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.740 -6.764 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.369 -7.943 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.774 -7.196 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.640 -4.361 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.670 -4.696 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.198 -3.793 -1.706 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.605 -8.491 -3.809 1.00 0.00 N ATOM 1139 CA ARG A 83 -4.174 -9.813 -4.045 1.00 0.00 C ATOM 1140 C ARG A 83 -3.374 -10.887 -3.315 1.00 0.00 C ATOM 1141 O ARG A 83 -2.171 -10.740 -3.096 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.208 -10.117 -5.544 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.878 -9.032 -6.371 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.997 -9.438 -7.831 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.018 -8.281 -8.721 1.00 0.00 N ATOM 1146 CZ ARG A 83 -3.926 -7.633 -9.111 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -2.732 -8.029 -8.692 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -4.026 -6.588 -9.923 1.00 0.00 N ATOM 0 H ARG A 83 -2.716 -8.324 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.193 -9.817 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.188 -10.256 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.732 -11.059 -5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.869 -8.826 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.304 -8.108 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.161 -10.084 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.907 -10.020 -7.972 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.921 -7.952 -9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.651 -8.833 -8.069 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.895 -7.530 -8.993 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.943 -6.281 -10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.186 -6.092 -10.221 1.00 0.00 H new ATOM 1162 N PHE A 84 -4.050 -11.968 -2.939 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.402 -13.067 -2.232 1.00 0.00 C ATOM 1164 C PHE A 84 -3.817 -14.412 -2.821 1.00 0.00 C ATOM 1165 O PHE A 84 -4.819 -14.999 -2.411 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.752 -13.020 -0.743 1.00 0.00 C ATOM 1167 CG PHE A 84 -3.015 -14.038 0.078 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.728 -13.787 0.525 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.609 -15.247 0.403 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -1.047 -14.722 1.282 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -2.933 -16.186 1.159 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.649 -15.923 1.598 1.00 0.00 C ATOM 0 H PHE A 84 -5.046 -12.106 -3.112 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.324 -12.956 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.531 -12.025 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.824 -13.177 -0.625 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.251 -12.850 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.612 -15.458 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.045 -14.513 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.407 -17.124 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.118 -16.656 2.187 1.00 0.00 H new ATOM 1182 N ASP A 85 -3.041 -14.894 -3.785 1.00 0.00 N ATOM 1183 CA ASP A 85 -3.326 -16.169 -4.432 1.00 0.00 C ATOM 1184 C ASP A 85 -4.542 -16.056 -5.345 1.00 0.00 C ATOM 1185 O ASP A 85 -5.429 -16.910 -5.324 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.562 -17.256 -3.381 1.00 0.00 C ATOM 1187 CG ASP A 85 -2.618 -17.134 -2.201 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -1.531 -16.544 -2.369 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -2.967 -17.630 -1.108 1.00 0.00 O ATOM 0 H ASP A 85 -2.209 -14.420 -4.136 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.463 -16.441 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.591 -17.198 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.438 -18.236 -3.842 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.577 -14.996 -6.145 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.685 -14.770 -7.067 1.00 0.00 C ATOM 1196 C ASP A 86 -6.974 -14.477 -6.306 1.00 0.00 C ATOM 1197 O ASP A 86 -8.061 -14.869 -6.731 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.878 -15.987 -7.974 1.00 0.00 C ATOM 1199 CG ASP A 86 -6.759 -15.683 -9.169 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -6.331 -14.893 -10.036 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -7.877 -16.236 -9.238 1.00 0.00 O ATOM 0 H ASP A 86 -3.851 -14.280 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.443 -13.903 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.906 -16.335 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.320 -16.800 -7.398 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.846 -13.787 -5.178 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.999 -13.441 -4.356 1.00 0.00 C ATOM 1208 C LYS A 87 -7.835 -12.054 -3.744 1.00 0.00 C ATOM 1209 O LYS A 87 -6.959 -11.834 -2.906 1.00 0.00 O ATOM 1210 CB LYS A 87 -8.192 -14.480 -3.248 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.474 -15.878 -3.769 1.00 0.00 C ATOM 1212 CD LYS A 87 -9.338 -16.670 -2.801 1.00 0.00 C ATOM 1213 CE LYS A 87 -10.819 -16.480 -3.092 1.00 0.00 C ATOM 1214 NZ LYS A 87 -11.187 -16.985 -4.444 1.00 0.00 N ATOM 0 H LYS A 87 -5.953 -13.456 -4.812 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.881 -13.434 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.297 -14.507 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.016 -14.167 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.974 -15.813 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.533 -16.403 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.086 -17.728 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.124 -16.356 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.407 -17.001 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.071 -15.422 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.188 -17.268 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.036 -16.234 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.594 -17.806 -4.681 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.683 -11.121 -4.166 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.632 -9.755 -3.657 1.00 0.00 C ATOM 1230 C HIS A 88 -9.027 -9.709 -2.184 1.00 0.00 C ATOM 1231 O HIS A 88 -10.023 -10.311 -1.780 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.555 -8.850 -4.473 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.855 -8.118 -5.576 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.591 -6.765 -5.533 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.361 -8.558 -6.757 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.966 -6.405 -6.640 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.814 -7.475 -7.399 1.00 0.00 N ATOM 0 H HIS A 88 -9.413 -11.286 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.607 -9.396 -3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.357 -9.453 -4.900 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.022 -8.125 -3.806 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.839 -6.140 -4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.392 -9.573 -7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.636 -5.406 -6.883 1.00 0.00 H new ATOM 1246 N ILE A 89 -8.241 -8.993 -1.388 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.510 -8.869 0.039 1.00 0.00 C ATOM 1248 C ILE A 89 -9.693 -7.943 0.297 1.00 0.00 C ATOM 1249 O ILE A 89 -9.997 -7.048 -0.492 1.00 0.00 O ATOM 1250 CB ILE A 89 -7.281 -8.337 0.799 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.982 -6.895 0.383 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -6.074 -9.227 0.545 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -6.088 -6.158 1.357 1.00 0.00 C ATOM 0 H ILE A 89 -7.413 -8.490 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.748 -9.868 0.403 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.500 -8.350 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.510 -6.899 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.922 -6.352 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.214 -8.837 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.291 -10.240 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.852 -9.243 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.918 -5.143 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.567 -6.122 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.133 -6.678 1.440 1.00 0.00 H new ATOM 1265 N PRO A 90 -10.378 -8.160 1.430 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.539 -7.354 1.821 1.00 0.00 C ATOM 1267 C PRO A 90 -11.151 -5.932 2.212 1.00 0.00 C ATOM 1268 O PRO A 90 -10.911 -5.643 3.383 1.00 0.00 O ATOM 1269 CB PRO A 90 -12.103 -8.106 3.029 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.939 -8.846 3.591 1.00 0.00 C ATOM 1271 CD PRO A 90 -10.072 -9.209 2.417 1.00 0.00 C ATOM 0 HA PRO A 90 -12.251 -7.240 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.526 -7.418 3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.901 -8.788 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.392 -8.229 4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.265 -9.738 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.015 -9.214 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.308 -10.202 2.035 1.00 0.00 H new ATOM 1279 N GLY A 91 -11.092 -5.046 1.222 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.733 -3.664 1.484 1.00 0.00 C ATOM 1281 C GLY A 91 -9.919 -3.054 0.360 1.00 0.00 C ATOM 1282 O GLY A 91 -9.783 -1.833 0.276 1.00 0.00 O ATOM 0 H GLY A 91 -11.286 -5.260 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.640 -3.078 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.164 -3.609 2.412 1.00 0.00 H new ATOM 1286 N SER A 92 -9.376 -3.904 -0.504 1.00 0.00 N ATOM 1287 CA SER A 92 -8.566 -3.442 -1.625 1.00 0.00 C ATOM 1288 C SER A 92 -9.348 -3.526 -2.932 1.00 0.00 C ATOM 1289 O SER A 92 -10.287 -4.311 -3.074 1.00 0.00 O ATOM 1290 CB SER A 92 -7.283 -4.269 -1.731 1.00 0.00 C ATOM 1291 OG SER A 92 -6.899 -4.444 -3.084 1.00 0.00 O ATOM 0 H SER A 92 -9.482 -4.917 -0.450 1.00 0.00 H new ATOM 0 HA SER A 92 -8.304 -2.399 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.481 -3.774 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.434 -5.242 -1.264 1.00 0.00 H new ATOM 0 HG SER A 92 -7.090 -5.364 -3.362 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.954 -2.699 -3.912 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.839 -1.761 -3.754 1.00 0.00 C ATOM 1299 C PRO A 93 -8.169 -0.624 -2.793 1.00 0.00 C ATOM 1300 O PRO A 93 -9.286 -0.105 -2.789 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.628 -1.219 -5.170 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.951 -1.376 -5.837 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.567 -2.615 -5.248 1.00 0.00 C ATOM 0 HA PRO A 93 -6.958 -2.244 -3.331 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.315 -0.175 -5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.851 -1.775 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.582 -0.505 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.835 -1.473 -6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.652 -2.534 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.346 -3.498 -5.848 1.00 0.00 H new ATOM 1311 N PHE A 94 -7.191 -0.240 -1.979 1.00 0.00 N ATOM 1312 CA PHE A 94 -7.378 0.836 -1.013 1.00 0.00 C ATOM 1313 C PHE A 94 -7.067 2.191 -1.641 1.00 0.00 C ATOM 1314 O PHE A 94 -5.907 2.524 -1.886 1.00 0.00 O ATOM 1315 CB PHE A 94 -6.487 0.611 0.211 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.938 -0.528 1.080 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.982 -0.363 1.976 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -6.319 -1.765 1.000 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -8.398 -1.409 2.777 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.731 -2.815 1.798 1.00 0.00 C ATOM 1321 CZ PHE A 94 -7.772 -2.637 2.687 1.00 0.00 C ATOM 0 H PHE A 94 -6.261 -0.658 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 94 -8.422 0.832 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.467 0.421 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.463 1.524 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.476 0.594 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.505 -1.910 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.212 -1.267 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.239 -3.774 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.096 -3.457 3.311 1.00 0.00 H new ATOM 1331 N THR A 95 -8.112 2.971 -1.899 1.00 0.00 N ATOM 1332 CA THR A 95 -7.952 4.289 -2.500 1.00 0.00 C ATOM 1333 C THR A 95 -7.350 5.277 -1.507 1.00 0.00 C ATOM 1334 O THR A 95 -8.022 5.727 -0.580 1.00 0.00 O ATOM 1335 CB THR A 95 -9.298 4.843 -3.005 1.00 0.00 C ATOM 1336 OG1 THR A 95 -9.933 3.885 -3.859 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.096 6.148 -3.760 1.00 0.00 C ATOM 0 H THR A 95 -9.079 2.712 -1.701 1.00 0.00 H new ATOM 0 HA THR A 95 -7.275 4.170 -3.346 1.00 0.00 H new ATOM 0 HB THR A 95 -9.934 5.036 -2.141 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.789 4.244 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.060 6.520 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.639 6.884 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.444 5.976 -4.616 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.079 5.609 -1.707 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.387 6.546 -0.831 1.00 0.00 C ATOM 1347 C ALA A 96 -5.359 7.945 -1.435 1.00 0.00 C ATOM 1348 O ALA A 96 -5.096 8.114 -2.626 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.972 6.061 -0.552 1.00 0.00 C ATOM 0 H ALA A 96 -5.507 5.243 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.934 6.597 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.467 6.770 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.011 5.085 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.423 5.980 -1.490 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.634 8.948 -0.607 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.641 10.334 -1.058 1.00 0.00 C ATOM 1357 C LYS A 97 -4.268 10.973 -0.874 1.00 0.00 C ATOM 1358 O LYS A 97 -3.661 10.865 0.193 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.695 11.136 -0.293 1.00 0.00 C ATOM 1360 CG LYS A 97 -8.061 11.135 -0.958 1.00 0.00 C ATOM 1361 CD LYS A 97 -8.146 12.179 -2.059 1.00 0.00 C ATOM 1362 CE LYS A 97 -9.569 12.328 -2.576 1.00 0.00 C ATOM 1363 NZ LYS A 97 -9.744 13.579 -3.365 1.00 0.00 N ATOM 0 H LYS A 97 -5.855 8.826 0.381 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.887 10.343 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.790 10.728 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.352 12.165 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.263 10.148 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.831 11.329 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.793 13.138 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.487 11.898 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.822 11.469 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.263 12.329 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.727 13.644 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.527 14.401 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.100 13.567 -4.182 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.785 11.639 -1.917 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.485 12.297 -1.868 1.00 0.00 C ATOM 1379 C ILE A 98 -2.593 13.760 -2.284 1.00 0.00 C ATOM 1380 O ILE A 98 -2.951 14.069 -3.421 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.462 11.591 -2.777 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.262 10.142 -2.327 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.138 12.341 -2.767 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.559 10.014 -0.994 1.00 0.00 C ATOM 0 H ILE A 98 -4.274 11.737 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.142 12.240 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.847 11.586 -3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.234 9.652 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.686 9.611 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.575 11.830 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.293 13.357 -3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.254 12.374 -1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.452 8.960 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.427 10.474 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.145 10.516 -0.224 1.00 0.00 H new ATOM 1396 N THR A 99 -2.281 14.658 -1.355 1.00 0.00 N ATOM 1397 CA THR A 99 -2.343 16.089 -1.625 1.00 0.00 C ATOM 1398 C THR A 99 -0.993 16.618 -2.097 1.00 0.00 C ATOM 1399 O THR A 99 0.046 16.008 -1.847 1.00 0.00 O ATOM 1400 CB THR A 99 -2.782 16.878 -0.377 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.927 16.562 0.728 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.225 16.559 -0.015 1.00 0.00 C ATOM 0 H THR A 99 -1.983 14.420 -0.409 1.00 0.00 H new ATOM 0 HA THR A 99 -3.082 16.230 -2.414 1.00 0.00 H new ATOM 0 HB THR A 99 -2.707 17.942 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.212 17.069 1.517 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.513 17.128 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.877 16.827 -0.847 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.321 15.493 0.192 1.00 0.00 H new