USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 725 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 35 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.9!) USER MOD Set 1.2: A 84 SER OG : rot 54:sc= 0.00237 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= -0.0043 (180deg=-0.531) USER MOD Single : A 55 TYR OH : rot 130:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -8.19! C(o=-8.2!,f=-7.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0739 USER MOD Single : A 67 SER OG : rot 15:sc= 1.06 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.066) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0482 K(o=-0.048,f=-1.7!) USER MOD Single : A 88 HIS : no HD1:sc= -2.56 X(o=-2.6,f=-2.4!) USER MOD Single : A 89 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2!) USER MOD Single : A 91 THR OG1 : rot 37:sc= 0.102 USER MOD Single : A 92 CYS SG : rot 46:sc= 0.436 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -40:sc= -0.485 USER MOD Single : A 108 SER OG : rot -81:sc= 0.125 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -14.097 6.889 10.565 1.00 0.00 N ATOM 200 CA ALA A 17 -13.086 6.404 9.633 1.00 0.00 C ATOM 201 C ALA A 17 -11.826 7.261 9.695 1.00 0.00 C ATOM 202 O ALA A 17 -11.870 8.449 10.013 1.00 0.00 O ATOM 203 CB ALA A 17 -13.642 6.381 8.217 1.00 0.00 C ATOM 0 HA ALA A 17 -12.817 5.388 9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.877 6.017 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.509 5.721 8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.940 7.389 7.927 1.00 0.00 H new ATOM 209 N PRO A 18 -10.676 6.645 9.384 1.00 0.00 N ATOM 210 CA PRO A 18 -9.381 7.333 9.397 1.00 0.00 C ATOM 211 C PRO A 18 -9.255 8.352 8.270 1.00 0.00 C ATOM 212 O PRO A 18 -8.788 8.029 7.178 1.00 0.00 O ATOM 213 CB PRO A 18 -8.374 6.197 9.207 1.00 0.00 C ATOM 214 CG PRO A 18 -9.135 5.131 8.497 1.00 0.00 C ATOM 215 CD PRO A 18 -10.550 5.231 8.995 1.00 0.00 C ATOM 0 HA PRO A 18 -9.232 7.904 10.313 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.513 6.524 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.993 5.841 10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.090 5.273 7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.716 4.147 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.268 4.962 8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.727 4.565 9.839 1.00 0.00 H new ATOM 223 N SER A 19 -9.673 9.584 8.542 1.00 0.00 N ATOM 224 CA SER A 19 -9.609 10.650 7.549 1.00 0.00 C ATOM 225 C SER A 19 -8.196 11.218 7.451 1.00 0.00 C ATOM 226 O SER A 19 -8.006 12.432 7.387 1.00 0.00 O ATOM 227 CB SER A 19 -10.595 11.765 7.903 1.00 0.00 C ATOM 228 OG SER A 19 -11.912 11.258 8.037 1.00 0.00 O ATOM 0 H SER A 19 -10.060 9.869 9.442 1.00 0.00 H new ATOM 0 HA SER A 19 -9.880 10.228 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.290 12.243 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.574 12.532 7.129 1.00 0.00 H new ATOM 0 HG SER A 19 -12.523 11.990 8.265 1.00 0.00 H new ATOM 234 N VAL A 20 -7.208 10.329 7.441 1.00 0.00 N ATOM 235 CA VAL A 20 -5.812 10.739 7.349 1.00 0.00 C ATOM 236 C VAL A 20 -4.943 9.614 6.797 1.00 0.00 C ATOM 237 O VAL A 20 -5.365 8.459 6.746 1.00 0.00 O ATOM 238 CB VAL A 20 -5.263 11.170 8.722 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.116 12.282 9.314 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.195 9.979 9.666 1.00 0.00 C ATOM 0 H VAL A 20 -7.349 9.320 7.495 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.776 11.589 6.668 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.252 11.554 8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.712 12.573 10.284 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.108 13.142 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.140 11.928 9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.805 10.302 10.631 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.194 9.563 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.538 9.218 9.245 1.00 0.00 H new ATOM 250 N ALA A 21 -3.728 9.960 6.386 1.00 0.00 N ATOM 251 CA ALA A 21 -2.798 8.979 5.839 1.00 0.00 C ATOM 252 C ALA A 21 -1.504 8.941 6.645 1.00 0.00 C ATOM 253 O ALA A 21 -1.224 9.823 7.457 1.00 0.00 O ATOM 254 CB ALA A 21 -2.504 9.287 4.379 1.00 0.00 C ATOM 0 H ALA A 21 -3.364 10.912 6.421 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.265 7.996 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.808 8.547 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.431 9.256 3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.061 10.280 4.299 1.00 0.00 H new ATOM 260 N PRO A 22 -0.695 7.896 6.418 1.00 0.00 N ATOM 261 CA PRO A 22 0.583 7.718 7.113 1.00 0.00 C ATOM 262 C PRO A 22 1.625 8.743 6.682 1.00 0.00 C ATOM 263 O PRO A 22 1.567 9.274 5.572 1.00 0.00 O ATOM 264 CB PRO A 22 1.017 6.309 6.702 1.00 0.00 C ATOM 265 CG PRO A 22 0.343 6.071 5.395 1.00 0.00 C ATOM 266 CD PRO A 22 -0.966 6.807 5.464 1.00 0.00 C ATOM 0 HA PRO A 22 0.483 7.851 8.190 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.101 6.241 6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.715 5.570 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.953 6.437 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.183 5.006 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.262 7.192 4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.773 6.161 5.810 1.00 0.00 H new ATOM 274 N LEU A 23 2.579 9.018 7.565 1.00 0.00 N ATOM 275 CA LEU A 23 3.636 9.981 7.275 1.00 0.00 C ATOM 276 C LEU A 23 4.959 9.271 7.004 1.00 0.00 C ATOM 277 O LEU A 23 5.036 8.044 7.044 1.00 0.00 O ATOM 278 CB LEU A 23 3.797 10.958 8.440 1.00 0.00 C ATOM 279 CG LEU A 23 2.537 11.239 9.259 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.431 10.271 10.427 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.533 12.678 9.755 1.00 0.00 C ATOM 0 H LEU A 23 2.642 8.588 8.488 1.00 0.00 H new ATOM 0 HA LEU A 23 3.353 10.536 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.563 10.569 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.169 11.904 8.046 1.00 0.00 H new ATOM 0 HG LEU A 23 1.670 11.095 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.528 10.487 10.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.386 9.249 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.303 10.382 11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.629 12.860 10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.408 12.849 10.382 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.559 13.357 8.903 1.00 0.00 H new ATOM 293 N ASN A 24 5.999 10.053 6.731 1.00 0.00 N ATOM 294 CA ASN A 24 7.320 9.500 6.456 1.00 0.00 C ATOM 295 C ASN A 24 7.223 8.305 5.512 1.00 0.00 C ATOM 296 O ASN A 24 7.858 7.274 5.732 1.00 0.00 O ATOM 297 CB ASN A 24 8.001 9.080 7.760 1.00 0.00 C ATOM 298 CG ASN A 24 8.833 10.195 8.363 1.00 0.00 C ATOM 299 OD1 ASN A 24 9.864 10.583 7.813 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.388 10.717 9.500 1.00 0.00 N ATOM 0 H ASN A 24 5.952 11.071 6.694 1.00 0.00 H new ATOM 0 HA ASN A 24 7.918 10.274 5.974 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.243 8.767 8.478 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.638 8.216 7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.906 11.470 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.528 10.365 9.921 1.00 0.00 H new ATOM 307 N VAL A 25 6.425 8.453 4.459 1.00 0.00 N ATOM 308 CA VAL A 25 6.247 7.388 3.480 1.00 0.00 C ATOM 309 C VAL A 25 7.367 7.398 2.447 1.00 0.00 C ATOM 310 O VAL A 25 7.491 8.334 1.656 1.00 0.00 O ATOM 311 CB VAL A 25 4.894 7.513 2.755 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.778 6.468 1.655 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.746 7.386 3.745 1.00 0.00 C ATOM 0 H VAL A 25 5.892 9.300 4.263 1.00 0.00 H new ATOM 0 HA VAL A 25 6.272 6.447 4.029 1.00 0.00 H new ATOM 0 HB VAL A 25 4.839 8.499 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.815 6.572 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.581 6.611 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.855 5.472 2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.797 7.477 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.796 6.415 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.821 8.176 4.493 1.00 0.00 H new ATOM 323 N THR A 26 8.184 6.349 2.457 1.00 0.00 N ATOM 324 CA THR A 26 9.296 6.236 1.521 1.00 0.00 C ATOM 325 C THR A 26 9.335 4.854 0.878 1.00 0.00 C ATOM 326 O THR A 26 8.696 3.917 1.356 1.00 0.00 O ATOM 327 CB THR A 26 10.644 6.506 2.215 1.00 0.00 C ATOM 328 OG1 THR A 26 10.755 5.706 3.398 1.00 0.00 O ATOM 329 CG2 THR A 26 10.781 7.977 2.577 1.00 0.00 C ATOM 0 H THR A 26 8.096 5.565 3.104 1.00 0.00 H new ATOM 0 HA THR A 26 9.137 6.988 0.749 1.00 0.00 H new ATOM 0 HB THR A 26 11.443 6.243 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.615 5.882 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.741 8.144 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.725 8.581 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.975 8.262 3.253 1.00 0.00 H new ATOM 337 N VAL A 27 10.091 4.734 -0.209 1.00 0.00 N ATOM 338 CA VAL A 27 10.216 3.466 -0.917 1.00 0.00 C ATOM 339 C VAL A 27 11.654 3.224 -1.363 1.00 0.00 C ATOM 340 O VAL A 27 12.225 4.020 -2.109 1.00 0.00 O ATOM 341 CB VAL A 27 9.292 3.417 -2.148 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.414 2.075 -2.855 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.851 3.687 -1.744 1.00 0.00 C ATOM 0 H VAL A 27 10.626 5.500 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 27 9.920 2.683 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 27 9.602 4.197 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.754 2.059 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.444 1.927 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.132 1.276 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.212 3.648 -2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.526 2.932 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.780 4.674 -1.288 1.00 0.00 H new ATOM 353 N PHE A 28 12.233 2.121 -0.902 1.00 0.00 N ATOM 354 CA PHE A 28 13.605 1.774 -1.254 1.00 0.00 C ATOM 355 C PHE A 28 13.641 0.548 -2.161 1.00 0.00 C ATOM 356 O PHE A 28 13.033 -0.480 -1.860 1.00 0.00 O ATOM 357 CB PHE A 28 14.427 1.511 0.010 1.00 0.00 C ATOM 358 CG PHE A 28 14.862 2.765 0.714 1.00 0.00 C ATOM 359 CD1 PHE A 28 13.992 3.440 1.556 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.140 3.269 0.533 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.389 4.593 2.205 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.542 4.422 1.180 1.00 0.00 C ATOM 363 CZ PHE A 28 15.666 5.086 2.016 1.00 0.00 C ATOM 0 H PHE A 28 11.774 1.452 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 28 14.039 2.616 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.838 0.904 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.309 0.928 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.992 3.060 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.829 2.755 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.702 5.109 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.541 4.804 1.032 1.00 0.00 H new ATOM 0 HZ PHE A 28 15.978 5.988 2.521 1.00 0.00 H new ATOM 373 N LEU A 29 14.357 0.664 -3.274 1.00 0.00 N ATOM 374 CA LEU A 29 14.473 -0.434 -4.227 1.00 0.00 C ATOM 375 C LEU A 29 15.633 -1.353 -3.861 1.00 0.00 C ATOM 376 O LEU A 29 16.771 -0.907 -3.717 1.00 0.00 O ATOM 377 CB LEU A 29 14.667 0.112 -5.643 1.00 0.00 C ATOM 378 CG LEU A 29 15.039 -0.915 -6.713 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.833 -1.768 -7.075 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.594 -0.221 -7.949 1.00 0.00 C ATOM 0 H LEU A 29 14.866 1.507 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 29 13.550 -1.013 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.746 0.608 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.445 0.874 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 29 15.813 -1.568 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.116 -2.493 -7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.480 -2.294 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.038 -1.129 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.853 -0.967 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.842 0.456 -8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.485 0.346 -7.679 1.00 0.00 H new ATOM 392 N ASN A 30 15.338 -2.641 -3.712 1.00 0.00 N ATOM 393 CA ASN A 30 16.357 -3.624 -3.364 1.00 0.00 C ATOM 394 C ASN A 30 16.762 -4.444 -4.585 1.00 0.00 C ATOM 395 O ASN A 30 16.004 -5.294 -5.052 1.00 0.00 O ATOM 396 CB ASN A 30 15.845 -4.551 -2.260 1.00 0.00 C ATOM 397 CG ASN A 30 16.047 -3.967 -0.875 1.00 0.00 C ATOM 398 OD1 ASN A 30 15.993 -2.751 -0.688 1.00 0.00 O ATOM 399 ND2 ASN A 30 16.281 -4.833 0.104 1.00 0.00 N ATOM 0 H ASN A 30 14.401 -3.028 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 30 17.234 -3.088 -3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.784 -4.748 -2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.360 -5.509 -2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.425 -4.499 1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.317 -5.832 -0.097 1.00 0.00 H new ATOM 406 N GLU A 31 17.960 -4.183 -5.097 1.00 0.00 N ATOM 407 CA GLU A 31 18.465 -4.897 -6.264 1.00 0.00 C ATOM 408 C GLU A 31 19.151 -6.196 -5.852 1.00 0.00 C ATOM 409 O GLU A 31 19.472 -7.035 -6.694 1.00 0.00 O ATOM 410 CB GLU A 31 19.442 -4.016 -7.045 1.00 0.00 C ATOM 411 CG GLU A 31 18.768 -3.113 -8.064 1.00 0.00 C ATOM 412 CD GLU A 31 19.747 -2.522 -9.058 1.00 0.00 C ATOM 413 OE1 GLU A 31 20.440 -3.303 -9.744 1.00 0.00 O ATOM 414 OE2 GLU A 31 19.822 -1.279 -9.151 1.00 0.00 O ATOM 0 H GLU A 31 18.599 -3.482 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 31 17.617 -5.142 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.004 -3.401 -6.343 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.162 -4.653 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.009 -3.681 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.253 -2.306 -7.544 1.00 0.00 H new ATOM 421 N SER A 32 19.373 -6.355 -4.551 1.00 0.00 N ATOM 422 CA SER A 32 20.024 -7.549 -4.027 1.00 0.00 C ATOM 423 C SER A 32 19.098 -8.758 -4.118 1.00 0.00 C ATOM 424 O SER A 32 19.541 -9.875 -4.385 1.00 0.00 O ATOM 425 CB SER A 32 20.451 -7.327 -2.574 1.00 0.00 C ATOM 426 OG SER A 32 21.224 -8.415 -2.098 1.00 0.00 O ATOM 0 H SER A 32 19.111 -5.671 -3.841 1.00 0.00 H new ATOM 0 HA SER A 32 20.909 -7.745 -4.632 1.00 0.00 H new ATOM 0 HB2 SER A 32 21.029 -6.406 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.568 -7.202 -1.947 1.00 0.00 H new ATOM 0 HG SER A 32 21.486 -8.248 -1.168 1.00 0.00 H new ATOM 432 N SER A 33 17.809 -8.526 -3.893 1.00 0.00 N ATOM 433 CA SER A 33 16.819 -9.595 -3.945 1.00 0.00 C ATOM 434 C SER A 33 15.646 -9.207 -4.841 1.00 0.00 C ATOM 435 O SER A 33 14.539 -9.725 -4.692 1.00 0.00 O ATOM 436 CB SER A 33 16.315 -9.922 -2.538 1.00 0.00 C ATOM 437 OG SER A 33 16.254 -8.756 -1.735 1.00 0.00 O ATOM 0 H SER A 33 17.426 -7.607 -3.673 1.00 0.00 H new ATOM 0 HA SER A 33 17.298 -10.479 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.327 -10.378 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.975 -10.654 -2.073 1.00 0.00 H new ATOM 0 HG SER A 33 15.927 -8.991 -0.841 1.00 0.00 H new ATOM 443 N ASP A 34 15.898 -8.291 -5.770 1.00 0.00 N ATOM 444 CA ASP A 34 14.865 -7.833 -6.691 1.00 0.00 C ATOM 445 C ASP A 34 13.551 -7.586 -5.955 1.00 0.00 C ATOM 446 O ASP A 34 12.485 -7.988 -6.417 1.00 0.00 O ATOM 447 CB ASP A 34 14.654 -8.859 -7.806 1.00 0.00 C ATOM 448 CG ASP A 34 14.403 -10.254 -7.269 1.00 0.00 C ATOM 449 OD1 ASP A 34 13.225 -10.597 -7.034 1.00 0.00 O ATOM 450 OD2 ASP A 34 15.384 -11.004 -7.085 1.00 0.00 O ATOM 0 H ASP A 34 16.808 -7.851 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 34 15.197 -6.893 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.809 -8.553 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.531 -8.874 -8.453 1.00 0.00 H new ATOM 455 N ASN A 35 13.638 -6.923 -4.807 1.00 0.00 N ATOM 456 CA ASN A 35 12.457 -6.623 -4.006 1.00 0.00 C ATOM 457 C ASN A 35 12.316 -5.120 -3.785 1.00 0.00 C ATOM 458 O ASN A 35 13.157 -4.336 -4.223 1.00 0.00 O ATOM 459 CB ASN A 35 12.533 -7.343 -2.658 1.00 0.00 C ATOM 460 CG ASN A 35 12.477 -8.851 -2.804 1.00 0.00 C ATOM 461 OD1 ASN A 35 12.219 -9.372 -3.889 1.00 0.00 O ATOM 462 ND2 ASN A 35 12.719 -9.561 -1.708 1.00 0.00 N ATOM 0 H ASN A 35 14.514 -6.583 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 35 11.581 -6.976 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.457 -7.064 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.710 -7.011 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.695 -10.580 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.929 -9.087 -0.829 1.00 0.00 H new ATOM 469 N VAL A 36 11.246 -4.726 -3.102 1.00 0.00 N ATOM 470 CA VAL A 36 10.994 -3.317 -2.821 1.00 0.00 C ATOM 471 C VAL A 36 10.608 -3.109 -1.361 1.00 0.00 C ATOM 472 O VAL A 36 9.592 -3.627 -0.897 1.00 0.00 O ATOM 473 CB VAL A 36 9.878 -2.756 -3.721 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.687 -1.268 -3.470 1.00 0.00 C ATOM 475 CG2 VAL A 36 10.191 -3.022 -5.186 1.00 0.00 C ATOM 0 H VAL A 36 10.540 -5.362 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 36 11.921 -2.782 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 36 8.946 -3.264 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.894 -0.889 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.414 -1.107 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.615 -0.740 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.392 -2.619 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.133 -2.542 -5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.273 -4.096 -5.351 1.00 0.00 H new ATOM 485 N ASP A 37 11.425 -2.346 -0.642 1.00 0.00 N ATOM 486 CA ASP A 37 11.168 -2.067 0.766 1.00 0.00 C ATOM 487 C ASP A 37 10.359 -0.784 0.927 1.00 0.00 C ATOM 488 O ASP A 37 10.506 0.156 0.145 1.00 0.00 O ATOM 489 CB ASP A 37 12.486 -1.953 1.534 1.00 0.00 C ATOM 490 CG ASP A 37 12.962 -3.290 2.067 1.00 0.00 C ATOM 491 OD1 ASP A 37 12.134 -4.030 2.637 1.00 0.00 O ATOM 492 OD2 ASP A 37 14.164 -3.596 1.915 1.00 0.00 O ATOM 0 H ASP A 37 12.270 -1.910 -1.011 1.00 0.00 H new ATOM 0 HA ASP A 37 10.588 -2.895 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.250 -1.533 0.879 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.361 -1.258 2.364 1.00 0.00 H new ATOM 497 N ILE A 38 9.505 -0.752 1.944 1.00 0.00 N ATOM 498 CA ILE A 38 8.673 0.415 2.207 1.00 0.00 C ATOM 499 C ILE A 38 8.627 0.733 3.697 1.00 0.00 C ATOM 500 O ILE A 38 8.512 -0.165 4.531 1.00 0.00 O ATOM 501 CB ILE A 38 7.236 0.210 1.692 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.254 -0.446 0.310 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.495 1.538 1.644 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.321 -1.956 0.359 1.00 0.00 C ATOM 0 H ILE A 38 9.371 -1.522 2.600 1.00 0.00 H new ATOM 0 HA ILE A 38 9.125 1.251 1.674 1.00 0.00 H new ATOM 0 HB ILE A 38 6.711 -0.452 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.359 -0.148 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.110 -0.070 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.481 1.376 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.455 1.969 2.644 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.017 2.222 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.330 -2.353 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.229 -2.263 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.452 -2.342 0.891 1.00 0.00 H new ATOM 516 N ARG A 39 8.715 2.018 4.026 1.00 0.00 N ATOM 517 CA ARG A 39 8.683 2.455 5.416 1.00 0.00 C ATOM 518 C ARG A 39 7.789 3.681 5.580 1.00 0.00 C ATOM 519 O ARG A 39 7.905 4.650 4.829 1.00 0.00 O ATOM 520 CB ARG A 39 10.097 2.773 5.906 1.00 0.00 C ATOM 521 CG ARG A 39 10.160 3.158 7.375 1.00 0.00 C ATOM 522 CD ARG A 39 10.110 1.933 8.275 1.00 0.00 C ATOM 523 NE ARG A 39 10.696 2.193 9.587 1.00 0.00 N ATOM 524 CZ ARG A 39 10.958 1.242 10.477 1.00 0.00 C ATOM 525 NH1 ARG A 39 10.687 -0.025 10.196 1.00 0.00 N ATOM 526 NH2 ARG A 39 11.492 1.558 11.650 1.00 0.00 N ATOM 0 H ARG A 39 8.809 2.774 3.348 1.00 0.00 H new ATOM 0 HA ARG A 39 8.272 1.643 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.734 1.905 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.505 3.588 5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.077 3.715 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.329 3.821 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.075 1.615 8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.642 1.110 7.797 1.00 0.00 H new ATOM 0 HE ARG A 39 10.916 3.158 9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.277 -0.271 9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.889 -0.754 10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.702 2.532 11.869 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.693 0.827 12.333 1.00 0.00 H new ATOM 540 N TRP A 40 6.899 3.631 6.564 1.00 0.00 N ATOM 541 CA TRP A 40 5.986 4.737 6.826 1.00 0.00 C ATOM 542 C TRP A 40 5.783 4.933 8.325 1.00 0.00 C ATOM 543 O TRP A 40 6.320 4.180 9.136 1.00 0.00 O ATOM 544 CB TRP A 40 4.639 4.485 6.146 1.00 0.00 C ATOM 545 CG TRP A 40 3.962 3.233 6.615 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.054 3.123 7.629 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.140 1.913 6.088 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.657 1.814 7.765 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.308 1.053 6.831 1.00 0.00 C ATOM 550 CE3 TRP A 40 4.920 1.375 5.061 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.237 -0.315 6.578 1.00 0.00 C ATOM 552 CZ3 TRP A 40 4.849 0.018 4.812 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.012 -0.814 5.567 1.00 0.00 C ATOM 0 H TRP A 40 6.790 2.836 7.194 1.00 0.00 H new ATOM 0 HA TRP A 40 6.428 5.645 6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.982 5.335 6.330 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.790 4.426 5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.700 3.944 8.235 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.986 1.466 8.450 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.567 2.009 4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.593 -0.959 7.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.449 -0.409 4.022 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.978 -1.871 5.346 1.00 0.00 H new ATOM 564 N MET A 41 5.005 5.948 8.684 1.00 0.00 N ATOM 565 CA MET A 41 4.732 6.242 10.086 1.00 0.00 C ATOM 566 C MET A 41 3.231 6.235 10.360 1.00 0.00 C ATOM 567 O MET A 41 2.422 6.385 9.445 1.00 0.00 O ATOM 568 CB MET A 41 5.326 7.597 10.472 1.00 0.00 C ATOM 569 CG MET A 41 6.811 7.541 10.791 1.00 0.00 C ATOM 570 SD MET A 41 7.144 6.888 12.438 1.00 0.00 S ATOM 571 CE MET A 41 7.529 8.394 13.328 1.00 0.00 C ATOM 0 H MET A 41 4.552 6.581 8.024 1.00 0.00 H new ATOM 0 HA MET A 41 5.198 5.465 10.691 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.164 8.301 9.656 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.791 7.985 11.339 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.315 6.920 10.050 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.234 8.542 10.709 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.758 8.155 14.366 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.391 8.878 12.869 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.673 9.067 13.291 1.00 0.00 H new ATOM 581 N LYS A 42 2.866 6.060 11.626 1.00 0.00 N ATOM 582 CA LYS A 42 1.463 6.035 12.021 1.00 0.00 C ATOM 583 C LYS A 42 0.887 7.446 12.073 1.00 0.00 C ATOM 584 O LYS A 42 1.492 8.370 12.617 1.00 0.00 O ATOM 585 CB LYS A 42 1.308 5.359 13.385 1.00 0.00 C ATOM 586 CG LYS A 42 -0.123 5.336 13.894 1.00 0.00 C ATOM 587 CD LYS A 42 -0.176 5.191 15.405 1.00 0.00 C ATOM 588 CE LYS A 42 -1.608 5.203 15.917 1.00 0.00 C ATOM 589 NZ LYS A 42 -2.189 3.833 15.968 1.00 0.00 N ATOM 0 H LYS A 42 3.523 5.933 12.396 1.00 0.00 H new ATOM 0 HA LYS A 42 0.911 5.464 11.274 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.677 4.336 13.318 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.935 5.877 14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.630 6.254 13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.662 4.510 13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.309 4.260 15.699 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.384 6.003 15.869 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.634 5.646 16.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.220 5.833 15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.226 3.894 15.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.836 3.276 15.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.911 3.371 16.857 1.00 0.00 H new ATOM 603 N PRO A 43 -0.312 7.619 11.497 1.00 0.00 N ATOM 604 CA PRO A 43 -0.997 8.915 11.467 1.00 0.00 C ATOM 605 C PRO A 43 -1.489 9.343 12.846 1.00 0.00 C ATOM 606 O PRO A 43 -1.620 8.533 13.763 1.00 0.00 O ATOM 607 CB PRO A 43 -2.181 8.669 10.529 1.00 0.00 C ATOM 608 CG PRO A 43 -2.435 7.203 10.616 1.00 0.00 C ATOM 609 CD PRO A 43 -1.092 6.562 10.831 1.00 0.00 C ATOM 0 HA PRO A 43 -0.336 9.718 11.140 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.056 9.241 10.837 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.947 8.970 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.113 6.973 11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -2.902 6.833 9.703 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.168 5.668 11.450 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.636 6.259 9.889 1.00 0.00 H new ATOM 617 N PRO A 44 -1.769 10.646 12.997 1.00 0.00 N ATOM 618 CA PRO A 44 -2.252 11.210 14.261 1.00 0.00 C ATOM 619 C PRO A 44 -3.673 10.766 14.588 1.00 0.00 C ATOM 620 O PRO A 44 -4.265 11.216 15.570 1.00 0.00 O ATOM 621 CB PRO A 44 -2.206 12.720 14.015 1.00 0.00 C ATOM 622 CG PRO A 44 -2.324 12.867 12.537 1.00 0.00 C ATOM 623 CD PRO A 44 -1.636 11.668 11.946 1.00 0.00 C ATOM 0 HA PRO A 44 -1.651 10.884 15.110 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.020 13.230 14.530 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.276 13.153 14.383 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.369 12.907 12.231 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.857 13.792 12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.108 11.352 11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.591 11.876 11.718 1.00 0.00 H new ATOM 735 N LEU A 52 -5.842 1.944 14.969 1.00 0.00 N ATOM 736 CA LEU A 52 -5.368 1.424 13.691 1.00 0.00 C ATOM 737 C LEU A 52 -5.026 -0.059 13.800 1.00 0.00 C ATOM 738 O LEU A 52 -4.271 -0.470 14.680 1.00 0.00 O ATOM 739 CB LEU A 52 -4.141 2.208 13.222 1.00 0.00 C ATOM 740 CG LEU A 52 -3.289 1.539 12.143 1.00 0.00 C ATOM 741 CD1 LEU A 52 -2.621 2.587 11.265 1.00 0.00 C ATOM 742 CD2 LEU A 52 -2.247 0.628 12.775 1.00 0.00 C ATOM 0 HA LEU A 52 -6.168 1.541 12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.475 3.175 12.845 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.508 2.404 14.087 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.942 0.931 11.516 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.019 2.093 10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.384 3.199 10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.981 3.221 11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.650 0.160 11.992 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.598 1.214 13.425 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.746 -0.144 13.361 1.00 0.00 H new ATOM 754 N VAL A 53 -5.587 -0.858 12.897 1.00 0.00 N ATOM 755 CA VAL A 53 -5.339 -2.295 12.889 1.00 0.00 C ATOM 756 C VAL A 53 -4.306 -2.669 11.832 1.00 0.00 C ATOM 757 O VAL A 53 -3.692 -3.732 11.899 1.00 0.00 O ATOM 758 CB VAL A 53 -6.635 -3.086 12.628 1.00 0.00 C ATOM 759 CG1 VAL A 53 -7.621 -2.887 13.768 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.252 -2.673 11.300 1.00 0.00 C ATOM 0 H VAL A 53 -6.216 -0.534 12.162 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.955 -2.556 13.875 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.389 -4.146 12.574 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.530 -3.453 13.566 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.176 -3.236 14.699 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.865 -1.828 13.857 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.167 -3.241 11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.485 -1.608 11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.547 -2.873 10.493 1.00 0.00 H new ATOM 770 N GLY A 54 -4.119 -1.785 10.856 1.00 0.00 N ATOM 771 CA GLY A 54 -3.159 -2.040 9.799 1.00 0.00 C ATOM 772 C GLY A 54 -3.188 -0.975 8.720 1.00 0.00 C ATOM 773 O GLY A 54 -3.855 0.049 8.867 1.00 0.00 O ATOM 0 H GLY A 54 -4.615 -0.897 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.158 -2.092 10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.366 -3.012 9.351 1.00 0.00 H new ATOM 777 N TYR A 55 -2.461 -1.215 7.635 1.00 0.00 N ATOM 778 CA TYR A 55 -2.402 -0.266 6.529 1.00 0.00 C ATOM 779 C TYR A 55 -2.723 -0.953 5.205 1.00 0.00 C ATOM 780 O TYR A 55 -2.705 -2.180 5.108 1.00 0.00 O ATOM 781 CB TYR A 55 -1.019 0.382 6.459 1.00 0.00 C ATOM 782 CG TYR A 55 -0.545 0.943 7.781 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.139 0.101 8.809 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.504 2.313 8.002 1.00 0.00 C ATOM 785 CE1 TYR A 55 0.294 0.608 10.019 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.071 2.830 9.208 1.00 0.00 C ATOM 787 CZ TYR A 55 0.327 1.973 10.213 1.00 0.00 C ATOM 788 OH TYR A 55 0.757 2.483 11.416 1.00 0.00 O ATOM 0 H TYR A 55 -1.904 -2.058 7.497 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.149 0.508 6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.298 -0.357 6.108 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.039 1.183 5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.162 -0.968 8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.816 2.986 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.605 -0.061 10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.044 3.899 9.363 1.00 0.00 H new ATOM 0 HH TYR A 55 1.433 3.174 11.255 1.00 0.00 H new ATOM 798 N ARG A 56 -3.015 -0.151 4.186 1.00 0.00 N ATOM 799 CA ARG A 56 -3.339 -0.680 2.866 1.00 0.00 C ATOM 800 C ARG A 56 -2.352 -0.172 1.819 1.00 0.00 C ATOM 801 O ARG A 56 -2.409 0.987 1.409 1.00 0.00 O ATOM 802 CB ARG A 56 -4.764 -0.286 2.473 1.00 0.00 C ATOM 803 CG ARG A 56 -5.349 -1.145 1.363 1.00 0.00 C ATOM 804 CD ARG A 56 -6.869 -1.152 1.406 1.00 0.00 C ATOM 805 NE ARG A 56 -7.379 -1.795 2.613 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.319 -3.104 2.830 1.00 0.00 C ATOM 807 NH1 ARG A 56 -6.774 -3.905 1.925 1.00 0.00 N ATOM 808 NH2 ARG A 56 -7.805 -3.615 3.954 1.00 0.00 N ATOM 0 H ARG A 56 -3.034 0.867 4.249 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.268 -1.767 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.406 -0.355 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.769 0.757 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.013 -0.770 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.977 -2.165 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.238 -0.127 1.358 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.254 -1.671 0.528 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.805 -1.207 3.329 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.399 -3.516 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.729 -4.910 2.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.225 -3.002 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.758 -4.620 4.119 1.00 0.00 H new ATOM 822 N ILE A 57 -1.448 -1.048 1.392 1.00 0.00 N ATOM 823 CA ILE A 57 -0.450 -0.688 0.393 1.00 0.00 C ATOM 824 C ILE A 57 -0.900 -1.096 -1.005 1.00 0.00 C ATOM 825 O ILE A 57 -1.073 -2.281 -1.292 1.00 0.00 O ATOM 826 CB ILE A 57 0.910 -1.346 0.695 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.242 -1.223 2.183 1.00 0.00 C ATOM 828 CG2 ILE A 57 2.004 -0.711 -0.151 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.323 -2.176 2.642 1.00 0.00 C ATOM 0 H ILE A 57 -1.387 -2.011 1.722 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.338 0.395 0.434 1.00 0.00 H new ATOM 0 HB ILE A 57 0.849 -2.405 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.557 -0.201 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.338 -1.404 2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.959 -1.186 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.771 -0.845 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.066 0.354 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.506 -2.033 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.003 -3.203 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.240 -1.980 2.087 1.00 0.00 H new ATOM 841 N SER A 58 -1.087 -0.106 -1.873 1.00 0.00 N ATOM 842 CA SER A 58 -1.519 -0.362 -3.242 1.00 0.00 C ATOM 843 C SER A 58 -0.363 -0.174 -4.220 1.00 0.00 C ATOM 844 O SER A 58 -0.015 0.952 -4.579 1.00 0.00 O ATOM 845 CB SER A 58 -2.675 0.568 -3.616 1.00 0.00 C ATOM 846 OG SER A 58 -3.105 0.337 -4.947 1.00 0.00 O ATOM 0 H SER A 58 -0.946 0.880 -1.652 1.00 0.00 H new ATOM 0 HA SER A 58 -1.859 -1.396 -3.303 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.507 0.413 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.361 1.606 -3.507 1.00 0.00 H new ATOM 0 HG SER A 58 -3.845 0.942 -5.161 1.00 0.00 H new ATOM 852 N HIS A 59 0.228 -1.285 -4.648 1.00 0.00 N ATOM 853 CA HIS A 59 1.345 -1.243 -5.586 1.00 0.00 C ATOM 854 C HIS A 59 0.930 -1.788 -6.949 1.00 0.00 C ATOM 855 O HIS A 59 0.717 -2.989 -7.111 1.00 0.00 O ATOM 856 CB HIS A 59 2.526 -2.048 -5.041 1.00 0.00 C ATOM 857 CG HIS A 59 2.215 -3.497 -4.826 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.839 -4.511 -5.521 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.341 -4.100 -3.987 1.00 0.00 C ATOM 860 CE1 HIS A 59 2.362 -5.676 -5.119 1.00 0.00 C ATOM 861 NE2 HIS A 59 1.451 -5.454 -4.188 1.00 0.00 N ATOM 0 H HIS A 59 -0.047 -2.224 -4.361 1.00 0.00 H new ATOM 0 HA HIS A 59 1.648 -0.203 -5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.363 -1.964 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.849 -1.610 -4.096 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.680 -3.608 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.665 -6.645 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.916 -6.172 -3.698 1.00 0.00 H new ATOM 870 N VAL A 60 0.816 -0.895 -7.928 1.00 0.00 N ATOM 871 CA VAL A 60 0.427 -1.285 -9.277 1.00 0.00 C ATOM 872 C VAL A 60 1.606 -1.189 -10.239 1.00 0.00 C ATOM 873 O VAL A 60 2.515 -0.383 -10.044 1.00 0.00 O ATOM 874 CB VAL A 60 -0.724 -0.409 -9.805 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.020 -0.735 -11.261 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.967 -0.589 -8.947 1.00 0.00 C ATOM 0 H VAL A 60 0.988 0.104 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 60 0.090 -2.320 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.418 0.635 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.836 -0.106 -11.616 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.131 -0.550 -11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.306 -1.783 -11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.770 0.037 -9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.278 -1.634 -8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.745 -0.300 -7.920 1.00 0.00 H new ATOM 886 N TRP A 61 1.584 -2.017 -11.277 1.00 0.00 N ATOM 887 CA TRP A 61 2.652 -2.025 -12.271 1.00 0.00 C ATOM 888 C TRP A 61 2.106 -1.711 -13.659 1.00 0.00 C ATOM 889 O TRP A 61 1.347 -2.494 -14.228 1.00 0.00 O ATOM 890 CB TRP A 61 3.356 -3.383 -12.281 1.00 0.00 C ATOM 891 CG TRP A 61 3.864 -3.799 -10.934 1.00 0.00 C ATOM 892 CD1 TRP A 61 3.123 -4.272 -9.889 1.00 0.00 C ATOM 893 CD2 TRP A 61 5.224 -3.778 -10.486 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.940 -4.546 -8.819 1.00 0.00 N ATOM 895 CE2 TRP A 61 5.233 -4.252 -9.160 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.434 -3.406 -11.077 1.00 0.00 C ATOM 897 CZ2 TRP A 61 6.406 -4.362 -8.418 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.597 -3.515 -10.339 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.577 -3.991 -9.021 1.00 0.00 C ATOM 0 H TRP A 61 0.839 -2.691 -11.453 1.00 0.00 H new ATOM 0 HA TRP A 61 3.372 -1.252 -12.001 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.664 -4.140 -12.650 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.191 -3.346 -12.981 1.00 0.00 H new ATOM 0 HD1 TRP A 61 2.052 -4.410 -9.902 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.633 -4.910 -7.917 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.460 -3.040 -12.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.392 -4.727 -7.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.538 -3.228 -10.786 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.503 -4.066 -8.471 1.00 0.00 H new ATOM 910 N GLN A 62 2.498 -0.561 -14.198 1.00 0.00 N ATOM 911 CA GLN A 62 2.047 -0.145 -15.521 1.00 0.00 C ATOM 912 C GLN A 62 3.211 -0.100 -16.504 1.00 0.00 C ATOM 913 O GLN A 62 4.118 0.722 -16.371 1.00 0.00 O ATOM 914 CB GLN A 62 1.374 1.227 -15.445 1.00 0.00 C ATOM 915 CG GLN A 62 -0.114 1.160 -15.142 1.00 0.00 C ATOM 916 CD GLN A 62 -0.850 2.420 -15.550 1.00 0.00 C ATOM 917 OE1 GLN A 62 -1.281 2.558 -16.696 1.00 0.00 O ATOM 918 NE2 GLN A 62 -0.999 3.349 -14.613 1.00 0.00 N ATOM 0 H GLN A 62 3.126 0.099 -13.739 1.00 0.00 H new ATOM 0 HA GLN A 62 1.323 -0.878 -15.878 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.866 1.822 -14.675 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.520 1.747 -16.392 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.548 0.306 -15.661 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.256 0.990 -14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.626 3.193 -13.676 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.486 4.218 -14.830 1.00 0.00 H new ATOM 927 N SER A 63 3.180 -0.988 -17.492 1.00 0.00 N ATOM 928 CA SER A 63 4.235 -1.053 -18.496 1.00 0.00 C ATOM 929 C SER A 63 3.655 -0.934 -19.902 1.00 0.00 C ATOM 930 O SER A 63 2.481 -1.227 -20.128 1.00 0.00 O ATOM 931 CB SER A 63 5.015 -2.362 -18.363 1.00 0.00 C ATOM 932 OG SER A 63 5.539 -2.773 -19.614 1.00 0.00 O ATOM 0 H SER A 63 2.435 -1.673 -17.619 1.00 0.00 H new ATOM 0 HA SER A 63 4.913 -0.216 -18.329 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.829 -2.233 -17.649 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.362 -3.139 -17.966 1.00 0.00 H new ATOM 0 HG SER A 63 6.035 -3.611 -19.502 1.00 0.00 H new ATOM 938 N ALA A 64 4.487 -0.502 -20.844 1.00 0.00 N ATOM 939 CA ALA A 64 4.058 -0.346 -22.229 1.00 0.00 C ATOM 940 C ALA A 64 3.627 -1.682 -22.824 1.00 0.00 C ATOM 941 O ALA A 64 4.461 -2.502 -23.205 1.00 0.00 O ATOM 942 CB ALA A 64 5.175 0.268 -23.061 1.00 0.00 C ATOM 0 H ALA A 64 5.462 -0.254 -20.674 1.00 0.00 H new ATOM 0 HA ALA A 64 3.198 0.323 -22.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.841 0.379 -24.093 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.434 1.246 -22.656 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.050 -0.381 -23.030 1.00 0.00 H new ATOM 948 N GLY A 65 2.316 -1.895 -22.900 1.00 0.00 N ATOM 949 CA GLY A 65 1.797 -3.134 -23.449 1.00 0.00 C ATOM 950 C GLY A 65 1.302 -4.082 -22.375 1.00 0.00 C ATOM 951 O GLY A 65 0.500 -4.975 -22.648 1.00 0.00 O ATOM 0 H GLY A 65 1.605 -1.232 -22.591 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.981 -2.910 -24.136 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.577 -3.625 -24.031 1.00 0.00 H new ATOM 955 N ILE A 66 1.780 -3.888 -21.150 1.00 0.00 N ATOM 956 CA ILE A 66 1.381 -4.733 -20.032 1.00 0.00 C ATOM 957 C ILE A 66 1.029 -3.894 -18.808 1.00 0.00 C ATOM 958 O ILE A 66 1.867 -3.159 -18.285 1.00 0.00 O ATOM 959 CB ILE A 66 2.492 -5.730 -19.655 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.572 -6.854 -20.691 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.244 -6.300 -18.266 1.00 0.00 C ATOM 962 CD1 ILE A 66 1.262 -7.584 -20.893 1.00 0.00 C ATOM 0 H ILE A 66 2.444 -3.153 -20.907 1.00 0.00 H new ATOM 0 HA ILE A 66 0.500 -5.289 -20.355 1.00 0.00 H new ATOM 0 HB ILE A 66 3.445 -5.202 -19.645 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.897 -6.436 -21.644 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.333 -7.570 -20.381 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.038 -7.003 -18.014 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.232 -5.490 -17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.284 -6.816 -18.251 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.393 -8.367 -21.640 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.946 -8.031 -19.951 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.502 -6.881 -21.234 1.00 0.00 H new ATOM 974 N SER A 67 -0.214 -4.012 -18.354 1.00 0.00 N ATOM 975 CA SER A 67 -0.678 -3.263 -17.191 1.00 0.00 C ATOM 976 C SER A 67 -1.304 -4.195 -16.159 1.00 0.00 C ATOM 977 O SER A 67 -2.419 -4.685 -16.342 1.00 0.00 O ATOM 978 CB SER A 67 -1.692 -2.199 -17.615 1.00 0.00 C ATOM 979 OG SER A 67 -2.901 -2.792 -18.056 1.00 0.00 O ATOM 0 H SER A 67 -0.918 -4.619 -18.773 1.00 0.00 H new ATOM 0 HA SER A 67 0.184 -2.774 -16.737 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.895 -1.532 -16.777 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.270 -1.589 -18.414 1.00 0.00 H new ATOM 0 HG SER A 67 -2.924 -3.732 -17.781 1.00 0.00 H new ATOM 985 N LYS A 68 -0.578 -4.437 -15.072 1.00 0.00 N ATOM 986 CA LYS A 68 -1.061 -5.309 -14.008 1.00 0.00 C ATOM 987 C LYS A 68 -1.218 -4.537 -12.702 1.00 0.00 C ATOM 988 O LYS A 68 -0.620 -3.477 -12.521 1.00 0.00 O ATOM 989 CB LYS A 68 -0.099 -6.482 -13.807 1.00 0.00 C ATOM 990 CG LYS A 68 0.291 -7.178 -15.100 1.00 0.00 C ATOM 991 CD LYS A 68 0.643 -8.637 -14.864 1.00 0.00 C ATOM 992 CE LYS A 68 -0.595 -9.520 -14.892 1.00 0.00 C ATOM 993 NZ LYS A 68 -0.362 -10.824 -14.211 1.00 0.00 N ATOM 0 H LYS A 68 0.347 -4.041 -14.905 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.038 -5.694 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.803 -6.121 -13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.560 -7.209 -13.138 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.532 -7.112 -15.812 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.142 -6.665 -15.548 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.347 -8.971 -15.627 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.144 -8.741 -13.901 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.422 -9.001 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.891 -9.698 -15.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.229 -11.397 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.411 -11.331 -14.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.105 -10.656 -13.218 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.025 -5.078 -11.794 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.259 -4.439 -10.504 1.00 0.00 C ATOM 1009 C GLU A 69 -2.160 -5.454 -9.368 1.00 0.00 C ATOM 1010 O GLU A 69 -2.576 -6.604 -9.510 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.635 -3.769 -10.484 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.079 -3.331 -9.099 1.00 0.00 C ATOM 1013 CD GLU A 69 -4.644 -4.474 -8.279 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -5.630 -5.095 -8.726 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -4.099 -4.747 -7.189 1.00 0.00 O ATOM 0 H GLU A 69 -2.527 -5.956 -11.928 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.490 -3.680 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.616 -2.900 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.373 -4.461 -10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.231 -2.894 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.833 -2.549 -9.193 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.605 -5.019 -8.242 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.449 -5.888 -7.081 1.00 0.00 C ATOM 1024 C LEU A 70 -1.807 -5.150 -5.796 1.00 0.00 C ATOM 1025 O LEU A 70 -1.789 -3.919 -5.749 1.00 0.00 O ATOM 1026 CB LEU A 70 -0.013 -6.410 -6.999 1.00 0.00 C ATOM 1027 CG LEU A 70 0.509 -7.135 -8.241 1.00 0.00 C ATOM 1028 CD1 LEU A 70 2.027 -7.062 -8.301 1.00 0.00 C ATOM 1029 CD2 LEU A 70 0.042 -8.583 -8.249 1.00 0.00 C ATOM 0 H LEU A 70 -1.256 -4.070 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.130 -6.731 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.647 -5.568 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.058 -7.089 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 70 0.106 -6.640 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.381 -7.583 -9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.340 -6.019 -8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.449 -7.532 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.423 -9.083 -9.140 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.416 -9.091 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.048 -8.614 -8.253 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.131 -5.908 -4.755 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.492 -5.326 -3.467 1.00 0.00 C ATOM 1043 C LEU A 71 -1.872 -6.116 -2.319 1.00 0.00 C ATOM 1044 O LEU A 71 -1.954 -7.343 -2.282 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.013 -5.286 -3.310 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.563 -4.228 -2.353 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.047 -4.465 -0.943 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.191 -2.832 -2.832 1.00 0.00 C ATOM 0 H LEU A 71 -2.151 -6.928 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.103 -4.308 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.455 -5.123 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.348 -6.265 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.650 -4.308 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.449 -3.703 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.363 -5.450 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.958 -4.412 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.590 -2.091 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.106 -2.740 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.610 -2.664 -3.824 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.253 -5.403 -1.383 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.620 -6.039 -0.233 1.00 0.00 C ATOM 1062 C GLU A 72 -1.433 -5.800 1.036 1.00 0.00 C ATOM 1063 O GLU A 72 -2.250 -4.882 1.098 1.00 0.00 O ATOM 1064 CB GLU A 72 0.803 -5.508 -0.048 1.00 0.00 C ATOM 1065 CG GLU A 72 1.744 -6.505 0.608 1.00 0.00 C ATOM 1066 CD GLU A 72 1.878 -7.790 -0.186 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.768 -7.733 -1.429 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.091 -8.852 0.435 1.00 0.00 O ATOM 0 H GLU A 72 -1.176 -4.386 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.578 -7.112 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.206 -5.226 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.768 -4.602 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.727 -6.049 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.381 -6.737 1.609 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.201 -6.633 2.046 1.00 0.00 N ATOM 1076 CA GLU A 73 -1.913 -6.513 3.313 1.00 0.00 C ATOM 1077 C GLU A 73 -0.934 -6.451 4.483 1.00 0.00 C ATOM 1078 O GLU A 73 -0.050 -7.298 4.612 1.00 0.00 O ATOM 1079 CB GLU A 73 -2.872 -7.690 3.498 1.00 0.00 C ATOM 1080 CG GLU A 73 -3.831 -7.883 2.335 1.00 0.00 C ATOM 1081 CD GLU A 73 -5.051 -8.700 2.713 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.395 -8.729 3.913 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.661 -9.309 1.810 1.00 0.00 O ATOM 0 H GLU A 73 -0.526 -7.397 2.011 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.487 -5.587 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.292 -8.602 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.448 -7.539 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.151 -6.908 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.308 -8.376 1.516 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.100 -5.443 5.332 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.233 -5.270 6.492 1.00 0.00 C ATOM 1092 C VAL A 74 -1.044 -4.938 7.740 1.00 0.00 C ATOM 1093 O VAL A 74 -2.019 -4.191 7.679 1.00 0.00 O ATOM 1094 CB VAL A 74 0.804 -4.156 6.256 1.00 0.00 C ATOM 1095 CG1 VAL A 74 2.066 -4.726 5.626 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.215 -3.055 5.387 1.00 0.00 C ATOM 0 H VAL A 74 -1.827 -4.733 5.239 1.00 0.00 H new ATOM 0 HA VAL A 74 0.288 -6.216 6.642 1.00 0.00 H new ATOM 0 HB VAL A 74 1.071 -3.723 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.787 -3.924 5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.497 -5.476 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.819 -5.187 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.962 -2.276 5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.082 -3.471 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.657 -2.628 5.882 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.632 -5.499 8.873 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.331 -5.251 10.120 1.00 0.00 C ATOM 1108 C GLY A 75 -0.850 -3.992 10.814 1.00 0.00 C ATOM 1109 O GLY A 75 -0.208 -3.143 10.196 1.00 0.00 O ATOM 0 H GLY A 75 0.173 -6.121 8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.400 -5.168 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.194 -6.104 10.785 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.161 -3.871 12.100 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.757 -2.705 12.877 1.00 0.00 C ATOM 1115 C GLN A 76 0.617 -2.918 13.503 1.00 0.00 C ATOM 1116 O GLN A 76 1.117 -2.062 14.232 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.788 -2.412 13.969 1.00 0.00 C ATOM 1118 CG GLN A 76 -2.333 -3.661 14.643 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.780 -3.406 16.069 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -3.065 -2.271 16.449 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.845 -4.466 16.867 1.00 0.00 N ATOM 0 H GLN A 76 -1.691 -4.566 12.626 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.700 -1.851 12.202 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.333 -1.771 14.724 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.617 -1.853 13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.174 -4.043 14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.566 -4.435 14.640 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.599 -5.389 16.510 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.141 -4.357 17.837 1.00 0.00 H new ATOM 1130 N ASN A 77 1.224 -4.064 13.212 1.00 0.00 N ATOM 1131 CA ASN A 77 2.541 -4.389 13.747 1.00 0.00 C ATOM 1132 C ASN A 77 3.571 -4.499 12.627 1.00 0.00 C ATOM 1133 O ASN A 77 4.725 -4.103 12.790 1.00 0.00 O ATOM 1134 CB ASN A 77 2.485 -5.700 14.534 1.00 0.00 C ATOM 1135 CG ASN A 77 3.819 -6.422 14.549 1.00 0.00 C ATOM 1136 OD1 ASN A 77 4.088 -7.270 13.698 1.00 0.00 O ATOM 1137 ND2 ASN A 77 4.661 -6.089 15.520 1.00 0.00 N ATOM 0 H ASN A 77 0.825 -4.783 12.609 1.00 0.00 H new ATOM 0 HA ASN A 77 2.843 -3.583 14.416 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.175 -5.493 15.558 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.727 -6.351 14.097 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.573 -6.542 15.582 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.396 -5.380 16.204 1.00 0.00 H new ATOM 1144 N GLY A 78 3.145 -5.039 11.489 1.00 0.00 N ATOM 1145 CA GLY A 78 4.043 -5.190 10.359 1.00 0.00 C ATOM 1146 C GLY A 78 4.996 -4.021 10.214 1.00 0.00 C ATOM 1147 O GLY A 78 6.203 -4.209 10.068 1.00 0.00 O ATOM 0 H GLY A 78 2.195 -5.374 11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.616 -6.110 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.458 -5.293 9.445 1.00 0.00 H new ATOM 1151 N SER A 79 4.452 -2.808 10.252 1.00 0.00 N ATOM 1152 CA SER A 79 5.262 -1.603 10.119 1.00 0.00 C ATOM 1153 C SER A 79 6.364 -1.801 9.083 1.00 0.00 C ATOM 1154 O SER A 79 7.428 -1.188 9.168 1.00 0.00 O ATOM 1155 CB SER A 79 5.876 -1.223 11.467 1.00 0.00 C ATOM 1156 OG SER A 79 6.126 0.169 11.540 1.00 0.00 O ATOM 0 H SER A 79 3.454 -2.634 10.374 1.00 0.00 H new ATOM 0 HA SER A 79 4.613 -0.794 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.203 -1.517 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.807 -1.771 11.613 1.00 0.00 H new ATOM 0 HG SER A 79 6.517 0.386 12.412 1.00 0.00 H new ATOM 1162 N ARG A 80 6.101 -2.662 8.105 1.00 0.00 N ATOM 1163 CA ARG A 80 7.070 -2.943 7.053 1.00 0.00 C ATOM 1164 C ARG A 80 6.471 -3.863 5.993 1.00 0.00 C ATOM 1165 O ARG A 80 5.866 -4.886 6.315 1.00 0.00 O ATOM 1166 CB ARG A 80 8.328 -3.581 7.646 1.00 0.00 C ATOM 1167 CG ARG A 80 9.353 -3.991 6.601 1.00 0.00 C ATOM 1168 CD ARG A 80 10.763 -3.983 7.171 1.00 0.00 C ATOM 1169 NE ARG A 80 11.709 -4.677 6.302 1.00 0.00 N ATOM 1170 CZ ARG A 80 12.852 -5.200 6.729 1.00 0.00 C ATOM 1171 NH1 ARG A 80 13.190 -5.109 8.008 1.00 0.00 N ATOM 1172 NH2 ARG A 80 13.661 -5.817 5.877 1.00 0.00 N ATOM 0 H ARG A 80 5.225 -3.177 8.020 1.00 0.00 H new ATOM 0 HA ARG A 80 7.339 -1.999 6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.790 -2.878 8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.042 -4.459 8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.116 -4.987 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.299 -3.311 5.751 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.090 -2.953 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.759 -4.455 8.153 1.00 0.00 H new ATOM 0 HE ARG A 80 11.479 -4.765 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.571 -4.636 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.069 -5.512 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.405 -5.890 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.539 -6.218 6.207 1.00 0.00 H new ATOM 1186 N ALA A 81 6.643 -3.492 4.729 1.00 0.00 N ATOM 1187 CA ALA A 81 6.120 -4.285 3.623 1.00 0.00 C ATOM 1188 C ALA A 81 7.186 -4.504 2.553 1.00 0.00 C ATOM 1189 O ALA A 81 8.044 -3.649 2.335 1.00 0.00 O ATOM 1190 CB ALA A 81 4.897 -3.609 3.021 1.00 0.00 C ATOM 0 H ALA A 81 7.140 -2.648 4.445 1.00 0.00 H new ATOM 0 HA ALA A 81 5.828 -5.260 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.517 -4.212 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.124 -3.509 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.172 -2.621 2.651 1.00 0.00 H new ATOM 1196 N ARG A 82 7.124 -5.654 1.890 1.00 0.00 N ATOM 1197 CA ARG A 82 8.085 -5.985 0.845 1.00 0.00 C ATOM 1198 C ARG A 82 7.378 -6.543 -0.386 1.00 0.00 C ATOM 1199 O ARG A 82 6.351 -7.213 -0.274 1.00 0.00 O ATOM 1200 CB ARG A 82 9.105 -7.000 1.364 1.00 0.00 C ATOM 1201 CG ARG A 82 10.402 -7.020 0.571 1.00 0.00 C ATOM 1202 CD ARG A 82 11.454 -7.886 1.246 1.00 0.00 C ATOM 1203 NE ARG A 82 11.297 -7.907 2.697 1.00 0.00 N ATOM 1204 CZ ARG A 82 10.475 -8.731 3.336 1.00 0.00 C ATOM 1205 NH1 ARG A 82 9.738 -9.598 2.655 1.00 0.00 N ATOM 1206 NH2 ARG A 82 10.388 -8.690 4.660 1.00 0.00 N ATOM 0 H ARG A 82 6.419 -6.372 2.058 1.00 0.00 H new ATOM 0 HA ARG A 82 8.605 -5.070 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.330 -6.776 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.659 -7.995 1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.210 -7.396 -0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.780 -6.003 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.388 -8.903 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.447 -7.513 0.994 1.00 0.00 H new ATOM 0 HE ARG A 82 11.849 -7.252 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.802 -9.633 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.107 -10.230 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.953 -8.025 5.188 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.756 -9.324 5.149 1.00 0.00 H new ATOM 1220 N ILE A 83 7.934 -6.261 -1.560 1.00 0.00 N ATOM 1221 CA ILE A 83 7.356 -6.735 -2.812 1.00 0.00 C ATOM 1222 C ILE A 83 8.442 -7.200 -3.777 1.00 0.00 C ATOM 1223 O ILE A 83 9.460 -6.530 -3.951 1.00 0.00 O ATOM 1224 CB ILE A 83 6.513 -5.641 -3.493 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.848 -4.751 -2.442 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.467 -6.268 -4.402 1.00 0.00 C ATOM 1227 CD1 ILE A 83 5.032 -3.623 -3.034 1.00 0.00 C ATOM 0 H ILE A 83 8.783 -5.707 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 83 6.710 -7.577 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 83 7.172 -5.022 -4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.202 -5.365 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.617 -4.331 -1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.879 -5.482 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.962 -6.864 -5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.810 -6.908 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.590 -3.033 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.677 -2.986 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.240 -4.036 -3.659 1.00 0.00 H new ATOM 1239 N SER A 84 8.217 -8.351 -4.402 1.00 0.00 N ATOM 1240 CA SER A 84 9.177 -8.906 -5.349 1.00 0.00 C ATOM 1241 C SER A 84 8.920 -8.377 -6.757 1.00 0.00 C ATOM 1242 O SER A 84 7.941 -8.749 -7.403 1.00 0.00 O ATOM 1243 CB SER A 84 9.104 -10.435 -5.345 1.00 0.00 C ATOM 1244 OG SER A 84 10.253 -11.002 -5.948 1.00 0.00 O ATOM 0 H SER A 84 7.379 -8.917 -4.270 1.00 0.00 H new ATOM 0 HA SER A 84 10.175 -8.596 -5.040 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.012 -10.795 -4.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.211 -10.761 -5.879 1.00 0.00 H new ATOM 0 HG SER A 84 11.058 -10.653 -5.511 1.00 0.00 H new ATOM 1250 N VAL A 85 9.809 -7.507 -7.226 1.00 0.00 N ATOM 1251 CA VAL A 85 9.681 -6.927 -8.557 1.00 0.00 C ATOM 1252 C VAL A 85 9.070 -7.924 -9.535 1.00 0.00 C ATOM 1253 O VAL A 85 9.750 -8.830 -10.017 1.00 0.00 O ATOM 1254 CB VAL A 85 11.045 -6.461 -9.100 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.909 -5.969 -10.534 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.630 -5.376 -8.209 1.00 0.00 C ATOM 0 H VAL A 85 10.625 -7.189 -6.704 1.00 0.00 H new ATOM 0 HA VAL A 85 9.022 -6.064 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 85 11.728 -7.310 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.882 -5.644 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.536 -6.778 -11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.211 -5.133 -10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.594 -5.058 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.951 -4.524 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.765 -5.767 -7.201 1.00 0.00 H new ATOM 1266 N GLN A 86 7.785 -7.750 -9.825 1.00 0.00 N ATOM 1267 CA GLN A 86 7.083 -8.636 -10.746 1.00 0.00 C ATOM 1268 C GLN A 86 7.349 -8.238 -12.193 1.00 0.00 C ATOM 1269 O GLN A 86 7.401 -9.088 -13.083 1.00 0.00 O ATOM 1270 CB GLN A 86 5.579 -8.610 -10.465 1.00 0.00 C ATOM 1271 CG GLN A 86 5.213 -9.084 -9.068 1.00 0.00 C ATOM 1272 CD GLN A 86 5.175 -10.595 -8.955 1.00 0.00 C ATOM 1273 OE1 GLN A 86 5.150 -11.304 -9.961 1.00 0.00 O ATOM 1274 NE2 GLN A 86 5.172 -11.097 -7.725 1.00 0.00 N ATOM 0 H GLN A 86 7.209 -7.004 -9.436 1.00 0.00 H new ATOM 0 HA GLN A 86 7.457 -9.648 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.209 -7.594 -10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.070 -9.237 -11.197 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.935 -8.688 -8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.239 -8.679 -8.795 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.193 -10.472 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.148 -12.107 -7.587 1.00 0.00 H new ATOM 1283 N VAL A 87 7.517 -6.939 -12.424 1.00 0.00 N ATOM 1284 CA VAL A 87 7.779 -6.428 -13.764 1.00 0.00 C ATOM 1285 C VAL A 87 8.900 -5.395 -13.748 1.00 0.00 C ATOM 1286 O VAL A 87 8.964 -4.546 -12.859 1.00 0.00 O ATOM 1287 CB VAL A 87 6.517 -5.792 -14.378 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.890 -4.879 -15.536 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.543 -6.870 -14.829 1.00 0.00 C ATOM 0 H VAL A 87 7.476 -6.222 -11.700 1.00 0.00 H new ATOM 0 HA VAL A 87 8.082 -7.279 -14.375 1.00 0.00 H new ATOM 0 HB VAL A 87 6.026 -5.189 -13.615 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.987 -4.438 -15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.547 -4.087 -15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.404 -5.457 -16.304 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.657 -6.403 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.021 -7.502 -15.578 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.252 -7.479 -13.973 1.00 0.00 H new ATOM 1299 N HIS A 88 9.782 -5.473 -14.739 1.00 0.00 N ATOM 1300 CA HIS A 88 10.901 -4.543 -14.841 1.00 0.00 C ATOM 1301 C HIS A 88 10.679 -3.547 -15.975 1.00 0.00 C ATOM 1302 O HIS A 88 9.895 -3.798 -16.889 1.00 0.00 O ATOM 1303 CB HIS A 88 12.207 -5.306 -15.066 1.00 0.00 C ATOM 1304 CG HIS A 88 12.896 -5.702 -13.796 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.948 -7.004 -13.343 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.564 -4.960 -12.883 1.00 0.00 C ATOM 1307 CE1 HIS A 88 13.618 -7.044 -12.205 1.00 0.00 C ATOM 1308 NE2 HIS A 88 14.003 -5.817 -11.904 1.00 0.00 N ATOM 0 H HIS A 88 9.744 -6.170 -15.483 1.00 0.00 H new ATOM 0 HA HIS A 88 10.968 -3.991 -13.904 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.999 -6.202 -15.651 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.882 -4.688 -15.658 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.722 -3.892 -12.918 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.817 -7.930 -11.620 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.539 -5.549 -11.079 1.00 0.00 H new ATOM 1317 N ASN A 89 11.374 -2.416 -15.907 1.00 0.00 N ATOM 1318 CA ASN A 89 11.251 -1.381 -16.928 1.00 0.00 C ATOM 1319 C ASN A 89 9.819 -0.860 -17.004 1.00 0.00 C ATOM 1320 O ASN A 89 9.322 -0.536 -18.082 1.00 0.00 O ATOM 1321 CB ASN A 89 11.680 -1.927 -18.291 1.00 0.00 C ATOM 1322 CG ASN A 89 11.794 -0.837 -19.340 1.00 0.00 C ATOM 1323 OD1 ASN A 89 10.822 -0.512 -20.021 1.00 0.00 O ATOM 1324 ND2 ASN A 89 12.986 -0.268 -19.474 1.00 0.00 N ATOM 0 H ASN A 89 12.028 -2.193 -15.156 1.00 0.00 H new ATOM 0 HA ASN A 89 11.906 -0.554 -16.653 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.640 -2.433 -18.191 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.959 -2.674 -18.624 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.124 0.471 -20.164 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.764 -0.570 -18.887 1.00 0.00 H new ATOM 1331 N ALA A 90 9.162 -0.781 -15.852 1.00 0.00 N ATOM 1332 CA ALA A 90 7.789 -0.296 -15.787 1.00 0.00 C ATOM 1333 C ALA A 90 7.618 0.722 -14.665 1.00 0.00 C ATOM 1334 O ALA A 90 8.425 0.781 -13.736 1.00 0.00 O ATOM 1335 CB ALA A 90 6.827 -1.459 -15.598 1.00 0.00 C ATOM 0 H ALA A 90 9.558 -1.047 -14.951 1.00 0.00 H new ATOM 0 HA ALA A 90 7.561 0.201 -16.730 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.805 -1.082 -15.551 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.921 -2.149 -16.437 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.064 -1.980 -14.671 1.00 0.00 H new ATOM 1341 N THR A 91 6.562 1.525 -14.756 1.00 0.00 N ATOM 1342 CA THR A 91 6.287 2.542 -13.749 1.00 0.00 C ATOM 1343 C THR A 91 5.356 2.007 -12.667 1.00 0.00 C ATOM 1344 O THR A 91 4.211 1.646 -12.943 1.00 0.00 O ATOM 1345 CB THR A 91 5.656 3.799 -14.378 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.736 3.421 -15.409 1.00 0.00 O ATOM 1347 CG2 THR A 91 6.727 4.711 -14.957 1.00 0.00 C ATOM 0 H THR A 91 5.884 1.490 -15.517 1.00 0.00 H new ATOM 0 HA THR A 91 7.244 2.810 -13.301 1.00 0.00 H new ATOM 0 HB THR A 91 5.124 4.341 -13.597 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.265 2.604 -15.143 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.257 5.591 -15.395 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.409 5.020 -14.165 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.284 4.176 -15.726 1.00 0.00 H new ATOM 1355 N CYS A 92 5.853 1.960 -11.436 1.00 0.00 N ATOM 1356 CA CYS A 92 5.064 1.468 -10.312 1.00 0.00 C ATOM 1357 C CYS A 92 4.711 2.605 -9.358 1.00 0.00 C ATOM 1358 O CYS A 92 5.544 3.461 -9.058 1.00 0.00 O ATOM 1359 CB CYS A 92 5.831 0.378 -9.563 1.00 0.00 C ATOM 1360 SG CYS A 92 4.968 -0.266 -8.110 1.00 0.00 S ATOM 0 H CYS A 92 6.798 2.256 -11.191 1.00 0.00 H new ATOM 0 HA CYS A 92 4.139 1.046 -10.705 1.00 0.00 H new ATOM 0 HB2 CYS A 92 6.032 -0.446 -10.248 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.797 0.777 -9.252 1.00 0.00 H new ATOM 0 HG CYS A 92 3.729 -0.513 -8.415 1.00 0.00 H new ATOM 1366 N THR A 93 3.468 2.608 -8.885 1.00 0.00 N ATOM 1367 CA THR A 93 3.003 3.641 -7.968 1.00 0.00 C ATOM 1368 C THR A 93 2.660 3.051 -6.604 1.00 0.00 C ATOM 1369 O THR A 93 1.766 2.213 -6.486 1.00 0.00 O ATOM 1370 CB THR A 93 1.766 4.370 -8.524 1.00 0.00 C ATOM 1371 OG1 THR A 93 1.961 4.679 -9.909 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.497 5.650 -7.747 1.00 0.00 C ATOM 0 H THR A 93 2.766 1.907 -9.122 1.00 0.00 H new ATOM 0 HA THR A 93 3.818 4.356 -7.858 1.00 0.00 H new ATOM 0 HB THR A 93 0.905 3.711 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.169 5.141 -10.256 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.619 6.147 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.320 5.409 -6.699 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.359 6.312 -7.827 1.00 0.00 H new ATOM 1380 N VAL A 94 3.376 3.495 -5.576 1.00 0.00 N ATOM 1381 CA VAL A 94 3.146 3.012 -4.219 1.00 0.00 C ATOM 1382 C VAL A 94 2.228 3.954 -3.449 1.00 0.00 C ATOM 1383 O VAL A 94 2.346 5.175 -3.553 1.00 0.00 O ATOM 1384 CB VAL A 94 4.470 2.858 -3.447 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.250 2.073 -2.163 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.520 2.186 -4.319 1.00 0.00 C ATOM 0 H VAL A 94 4.120 4.188 -5.657 1.00 0.00 H new ATOM 0 HA VAL A 94 2.669 2.036 -4.306 1.00 0.00 H new ATOM 0 HB VAL A 94 4.833 3.851 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.196 1.974 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.533 2.599 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.864 1.083 -2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.449 2.085 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.167 1.199 -4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.697 2.792 -5.208 1.00 0.00 H new ATOM 1396 N ARG A 95 1.313 3.378 -2.676 1.00 0.00 N ATOM 1397 CA ARG A 95 0.373 4.166 -1.888 1.00 0.00 C ATOM 1398 C ARG A 95 -0.017 3.429 -0.610 1.00 0.00 C ATOM 1399 O ARG A 95 -0.500 2.298 -0.657 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.878 4.480 -2.710 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.589 5.243 -3.992 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.871 5.626 -4.714 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.642 6.620 -3.971 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.779 7.147 -4.411 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -4.275 6.777 -5.583 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.422 8.046 -3.677 1.00 0.00 N ATOM 0 H ARG A 95 1.203 2.369 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 95 0.863 5.100 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.383 3.546 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.568 5.062 -2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -0.018 6.142 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.031 4.632 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.627 6.020 -5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.480 4.735 -4.868 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.288 6.926 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.783 6.086 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.148 7.183 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.043 8.333 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.295 8.450 -4.015 1.00 0.00 H new ATOM 1420 N ILE A 96 0.197 4.078 0.530 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.132 3.485 1.820 1.00 0.00 C ATOM 1422 C ILE A 96 -1.204 4.296 2.541 1.00 0.00 C ATOM 1423 O ILE A 96 -1.170 5.526 2.541 1.00 0.00 O ATOM 1424 CB ILE A 96 1.110 3.377 2.724 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.327 2.942 1.905 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.854 2.401 3.862 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.508 2.526 2.754 1.00 0.00 C ATOM 0 H ILE A 96 0.597 5.015 0.586 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.512 2.483 1.619 1.00 0.00 H new ATOM 0 HB ILE A 96 1.316 4.358 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.043 2.111 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.629 3.762 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.741 2.336 4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.011 2.750 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.626 1.417 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.334 2.230 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.818 3.362 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.223 1.685 3.387 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.153 3.598 3.156 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.232 4.253 3.884 1.00 0.00 C ATOM 1441 C ALA A 97 -3.447 3.605 5.248 1.00 0.00 C ATOM 1442 O ALA A 97 -2.924 2.525 5.521 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.517 4.214 3.071 1.00 0.00 C ATOM 0 H ALA A 97 -2.196 2.579 3.164 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.949 5.293 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.314 4.707 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.364 4.729 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.795 3.178 2.880 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.217 4.272 6.100 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.502 3.760 7.435 1.00 0.00 C ATOM 1451 C ALA A 98 -5.828 3.008 7.463 1.00 0.00 C ATOM 1452 O ALA A 98 -6.841 3.497 6.963 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.516 4.898 8.445 1.00 0.00 C ATOM 0 H ALA A 98 -4.655 5.169 5.890 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.712 3.059 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.730 4.501 9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.543 5.390 8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.285 5.620 8.169 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.815 1.816 8.051 1.00 0.00 N ATOM 1460 CA VAL A 99 -7.017 0.997 8.145 1.00 0.00 C ATOM 1461 C VAL A 99 -7.413 0.767 9.599 1.00 0.00 C ATOM 1462 O VAL A 99 -6.572 0.447 10.441 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.823 -0.366 7.456 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -7.885 -1.354 7.915 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.850 -0.207 5.943 1.00 0.00 C ATOM 0 H VAL A 99 -4.985 1.396 8.469 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.812 1.543 7.637 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.847 -0.761 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.731 -2.311 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.813 -1.491 8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.873 -0.969 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.711 -1.180 5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.810 0.210 5.638 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.048 0.463 5.633 1.00 0.00 H new ATOM 1475 N THR A 100 -8.700 0.931 9.890 1.00 0.00 N ATOM 1476 CA THR A 100 -9.208 0.741 11.243 1.00 0.00 C ATOM 1477 C THR A 100 -10.349 -0.269 11.265 1.00 0.00 C ATOM 1478 O THR A 100 -10.751 -0.789 10.224 1.00 0.00 O ATOM 1479 CB THR A 100 -9.702 2.069 11.848 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.778 2.595 11.064 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.573 3.086 11.915 1.00 0.00 C ATOM 0 H THR A 100 -9.410 1.195 9.206 1.00 0.00 H new ATOM 0 HA THR A 100 -8.380 0.362 11.842 1.00 0.00 H new ATOM 0 HB THR A 100 -10.054 1.872 12.861 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.590 2.453 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.946 4.015 12.345 1.00 0.00 H new ATOM 0 HG22 THR A 100 -7.768 2.695 12.537 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.195 3.277 10.911 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.868 -0.543 12.458 1.00 0.00 N ATOM 1490 CA ARG A 101 -11.963 -1.493 12.615 1.00 0.00 C ATOM 1491 C ARG A 101 -13.283 -0.882 12.153 1.00 0.00 C ATOM 1492 O ARG A 101 -14.336 -1.510 12.248 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.077 -1.935 14.075 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.086 -3.022 14.460 1.00 0.00 C ATOM 1495 CD ARG A 101 -10.813 -3.021 15.956 1.00 0.00 C ATOM 1496 NE ARG A 101 -10.416 -4.340 16.441 1.00 0.00 N ATOM 1497 CZ ARG A 101 -10.247 -4.630 17.726 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -10.439 -3.700 18.651 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -9.884 -5.854 18.089 1.00 0.00 N ATOM 0 H ARG A 101 -10.548 -0.121 13.329 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.748 -2.363 11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.924 -1.070 14.721 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.089 -2.296 14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.476 -3.995 14.161 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.152 -2.873 13.918 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.026 -2.300 16.180 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.707 -2.693 16.487 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.260 -5.079 15.755 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.718 -2.758 18.377 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.308 -3.927 19.637 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.735 -6.573 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.754 -6.076 19.076 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.217 0.349 11.653 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.413 1.024 11.184 1.00 0.00 C ATOM 1515 C GLY A 102 -14.454 1.150 9.674 1.00 0.00 C ATOM 1516 O GLY A 102 -15.456 0.817 9.044 1.00 0.00 O ATOM 0 H GLY A 102 -12.357 0.890 11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.292 0.476 11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.464 2.017 11.630 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.361 1.635 9.093 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.297 1.798 7.652 1.00 0.00 C ATOM 1522 C GLY A 103 -11.903 2.144 7.168 1.00 0.00 C ATOM 1523 O GLY A 103 -11.011 2.421 7.970 1.00 0.00 O ATOM 0 H GLY A 103 -12.519 1.918 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.627 0.878 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.989 2.583 7.347 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.714 2.127 5.853 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.418 2.441 5.263 1.00 0.00 C ATOM 1529 C VAL A 104 -10.320 3.920 4.907 1.00 0.00 C ATOM 1530 O VAL A 104 -11.229 4.485 4.299 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.158 1.602 3.998 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.205 1.899 2.936 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.757 1.861 3.465 1.00 0.00 C ATOM 0 H VAL A 104 -12.442 1.899 5.176 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.663 2.199 6.011 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.232 0.547 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.005 1.297 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.195 1.657 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.167 2.956 2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.591 1.260 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.652 2.917 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.023 1.592 4.225 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.209 4.544 5.290 1.00 0.00 N ATOM 1544 CA GLY A 105 -9.013 5.952 5.002 1.00 0.00 C ATOM 1545 C GLY A 105 -8.338 6.182 3.664 1.00 0.00 C ATOM 1546 O GLY A 105 -7.986 5.241 2.952 1.00 0.00 O ATOM 0 H GLY A 105 -8.442 4.099 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.978 6.459 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.410 6.401 5.791 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.148 7.460 3.304 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.511 7.840 2.040 1.00 0.00 C ATOM 1552 C PRO A 106 -6.022 7.512 2.020 1.00 0.00 C ATOM 1553 O PRO A 106 -5.352 7.559 3.052 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.725 9.355 1.976 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.870 9.777 3.397 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.542 8.633 4.104 1.00 0.00 C ATOM 0 HA PRO A 106 -7.933 7.300 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.882 9.854 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.613 9.605 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.898 9.993 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.465 10.687 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.206 8.546 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.625 8.757 4.130 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.510 7.179 0.840 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.099 6.843 0.686 1.00 0.00 C ATOM 1566 C PHE A 107 -3.243 8.104 0.624 1.00 0.00 C ATOM 1567 O PHE A 107 -3.727 9.179 0.273 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.888 6.006 -0.578 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.452 4.618 -0.479 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.809 4.419 -0.280 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.626 3.511 -0.587 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.330 3.143 -0.188 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.141 2.232 -0.496 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.495 2.047 -0.297 1.00 0.00 C ATOM 0 H PHE A 107 -6.051 7.135 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.793 6.260 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.348 6.517 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.820 5.942 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.467 5.271 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.567 3.649 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.389 3.002 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.485 1.378 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.900 1.048 -0.227 1.00 0.00 H new ATOM 1584 N SER A 108 -1.967 7.962 0.969 1.00 0.00 N ATOM 1585 CA SER A 108 -1.042 9.090 0.957 1.00 0.00 C ATOM 1586 C SER A 108 -0.686 9.486 -0.473 1.00 0.00 C ATOM 1587 O SER A 108 -1.219 8.930 -1.433 1.00 0.00 O ATOM 1588 CB SER A 108 0.229 8.743 1.734 1.00 0.00 C ATOM 1589 OG SER A 108 0.833 7.567 1.225 1.00 0.00 O ATOM 0 H SER A 108 -1.550 7.078 1.260 1.00 0.00 H new ATOM 0 HA SER A 108 -1.533 9.936 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.933 9.573 1.674 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.012 8.605 2.788 1.00 0.00 H new ATOM 0 HG SER A 108 0.374 6.780 1.588 1.00 0.00 H new ATOM 1595 N ASP A 109 0.219 10.449 -0.605 1.00 0.00 N ATOM 1596 CA ASP A 109 0.649 10.920 -1.917 1.00 0.00 C ATOM 1597 C ASP A 109 1.263 9.783 -2.727 1.00 0.00 C ATOM 1598 O ASP A 109 2.111 9.031 -2.245 1.00 0.00 O ATOM 1599 CB ASP A 109 1.658 12.059 -1.768 1.00 0.00 C ATOM 1600 CG ASP A 109 1.301 13.004 -0.637 1.00 0.00 C ATOM 1601 OD1 ASP A 109 0.119 13.393 -0.540 1.00 0.00 O ATOM 1602 OD2 ASP A 109 2.205 13.355 0.151 1.00 0.00 O ATOM 0 H ASP A 109 0.669 10.919 0.180 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.228 11.289 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.649 11.642 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.711 12.618 -2.702 1.00 0.00 H new ATOM 1607 N PRO A 110 0.826 9.651 -3.988 1.00 0.00 N ATOM 1608 CA PRO A 110 1.319 8.608 -4.892 1.00 0.00 C ATOM 1609 C PRO A 110 2.766 8.843 -5.315 1.00 0.00 C ATOM 1610 O PRO A 110 3.159 9.969 -5.616 1.00 0.00 O ATOM 1611 CB PRO A 110 0.385 8.715 -6.100 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.101 10.122 -6.079 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.183 10.511 -4.629 1.00 0.00 C ATOM 0 HA PRO A 110 1.317 7.626 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.911 8.492 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.442 8.009 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.580 10.778 -6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.075 10.205 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.039 11.568 -4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.178 10.335 -4.221 1.00 0.00 H new ATOM 1621 N VAL A 111 3.553 7.772 -5.334 1.00 0.00 N ATOM 1622 CA VAL A 111 4.956 7.861 -5.721 1.00 0.00 C ATOM 1623 C VAL A 111 5.259 6.950 -6.905 1.00 0.00 C ATOM 1624 O VAL A 111 5.167 5.727 -6.801 1.00 0.00 O ATOM 1625 CB VAL A 111 5.886 7.490 -4.551 1.00 0.00 C ATOM 1626 CG1 VAL A 111 5.970 5.980 -4.394 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.268 8.091 -4.758 1.00 0.00 C ATOM 0 H VAL A 111 3.243 6.833 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 111 5.140 8.897 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 111 5.469 7.904 -3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.632 5.737 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.976 5.579 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.363 5.540 -5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.912 7.819 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.696 7.709 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.188 9.177 -4.816 1.00 0.00 H new ATOM 1637 N LYS A 112 5.620 7.554 -8.032 1.00 0.00 N ATOM 1638 CA LYS A 112 5.939 6.798 -9.238 1.00 0.00 C ATOM 1639 C LYS A 112 7.432 6.491 -9.309 1.00 0.00 C ATOM 1640 O LYS A 112 8.242 7.372 -9.598 1.00 0.00 O ATOM 1641 CB LYS A 112 5.508 7.577 -10.482 1.00 0.00 C ATOM 1642 CG LYS A 112 6.090 7.031 -11.774 1.00 0.00 C ATOM 1643 CD LYS A 112 5.734 7.909 -12.962 1.00 0.00 C ATOM 1644 CE LYS A 112 4.271 7.755 -13.349 1.00 0.00 C ATOM 1645 NZ LYS A 112 3.772 8.934 -14.110 1.00 0.00 N ATOM 0 H LYS A 112 5.699 8.566 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 112 5.394 5.855 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.420 7.564 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.808 8.619 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.174 6.961 -11.684 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.718 6.020 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.940 8.952 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.366 7.648 -13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.147 6.855 -13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.669 7.622 -12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.772 8.791 -14.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.866 9.789 -13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.329 9.046 -14.981 1.00 0.00 H new ATOM 1659 N ILE A 113 7.787 5.239 -9.044 1.00 0.00 N ATOM 1660 CA ILE A 113 9.182 4.817 -9.081 1.00 0.00 C ATOM 1661 C ILE A 113 9.493 4.058 -10.367 1.00 0.00 C ATOM 1662 O ILE A 113 8.780 3.125 -10.738 1.00 0.00 O ATOM 1663 CB ILE A 113 9.532 3.926 -7.875 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.866 3.213 -8.111 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.423 2.916 -7.623 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.417 2.539 -6.874 1.00 0.00 C ATOM 0 H ILE A 113 7.128 4.499 -8.801 1.00 0.00 H new ATOM 0 HA ILE A 113 9.787 5.723 -9.041 1.00 0.00 H new ATOM 0 HB ILE A 113 9.629 4.557 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.736 2.466 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.595 3.936 -8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.685 2.294 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.491 3.443 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.297 2.287 -8.504 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.363 2.054 -7.115 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.579 3.284 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.707 1.792 -6.519 1.00 0.00 H new ATOM 1678 N PHE A 114 10.562 4.464 -11.043 1.00 0.00 N ATOM 1679 CA PHE A 114 10.969 3.823 -12.288 1.00 0.00 C ATOM 1680 C PHE A 114 11.761 2.549 -12.009 1.00 0.00 C ATOM 1681 O PHE A 114 12.822 2.589 -11.385 1.00 0.00 O ATOM 1682 CB PHE A 114 11.808 4.784 -13.132 1.00 0.00 C ATOM 1683 CG PHE A 114 12.605 4.101 -14.206 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.830 3.523 -13.916 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.128 4.035 -15.505 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.566 2.893 -14.901 1.00 0.00 C ATOM 1687 CE2 PHE A 114 12.859 3.406 -16.495 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.080 2.835 -16.193 1.00 0.00 C ATOM 0 H PHE A 114 11.163 5.234 -10.750 1.00 0.00 H new ATOM 0 HA PHE A 114 10.069 3.557 -12.842 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.149 5.520 -13.593 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.488 5.330 -12.478 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.214 3.565 -12.908 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.174 4.480 -15.747 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.520 2.447 -14.661 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.476 3.361 -17.504 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.654 2.344 -16.965 1.00 0.00 H new ATOM 1698 N ILE A 115 11.239 1.420 -12.476 1.00 0.00 N ATOM 1699 CA ILE A 115 11.897 0.135 -12.278 1.00 0.00 C ATOM 1700 C ILE A 115 12.962 -0.107 -13.343 1.00 0.00 C ATOM 1701 O ILE A 115 12.665 -0.297 -14.522 1.00 0.00 O ATOM 1702 CB ILE A 115 10.885 -1.026 -12.308 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.657 -0.682 -11.463 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.536 -2.308 -11.809 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.937 -0.640 -9.977 1.00 0.00 C ATOM 0 H ILE A 115 10.362 1.369 -12.994 1.00 0.00 H new ATOM 0 HA ILE A 115 12.369 0.170 -11.296 1.00 0.00 H new ATOM 0 HB ILE A 115 10.562 -1.182 -13.337 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.269 0.286 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.876 -1.417 -11.656 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.809 -3.120 -11.836 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.383 -2.558 -12.448 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.883 -2.165 -10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.021 -0.390 -9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.296 -1.615 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.695 0.115 -9.771 1.00 0.00 H new ATOM 1717 N PRO A 116 14.235 -0.102 -12.918 1.00 0.00 N ATOM 1718 CA PRO A 116 15.370 -0.322 -13.818 1.00 0.00 C ATOM 1719 C PRO A 116 15.441 -1.760 -14.322 1.00 0.00 C ATOM 1720 O PRO A 116 15.492 -2.702 -13.533 1.00 0.00 O ATOM 1721 CB PRO A 116 16.584 -0.003 -12.942 1.00 0.00 C ATOM 1722 CG PRO A 116 16.121 -0.248 -11.548 1.00 0.00 C ATOM 1723 CD PRO A 116 14.662 0.117 -11.526 1.00 0.00 C ATOM 0 HA PRO A 116 15.302 0.291 -14.717 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.432 -0.639 -13.195 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.908 1.029 -13.076 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.267 -1.291 -11.266 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.685 0.356 -10.838 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.102 -0.508 -10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.511 1.151 -11.217 1.00 0.00 H new ATOM 1731 N ALA A 117 15.444 -1.920 -15.642 1.00 0.00 N ATOM 1732 CA ALA A 117 15.510 -3.243 -16.250 1.00 0.00 C ATOM 1733 C ALA A 117 16.524 -4.127 -15.532 1.00 0.00 C ATOM 1734 O ALA A 117 17.434 -3.631 -14.866 1.00 0.00 O ATOM 1735 CB ALA A 117 15.860 -3.127 -17.727 1.00 0.00 C ATOM 0 H ALA A 117 15.402 -1.150 -16.310 1.00 0.00 H new ATOM 0 HA ALA A 117 14.529 -3.709 -16.155 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.906 -4.122 -18.169 1.00 0.00 H new ATOM 0 HB2 ALA A 117 15.097 -2.538 -18.237 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.828 -2.637 -17.834 1.00 0.00 H new