USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 630 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 376 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 378 THR OG1 : rot -82:sc= -1.17! USER MOD Set 2.1: A 366 LYS NZ :NH3+ -162:sc= 1.25 (180deg=-0.379) USER MOD Set 2.2: A 373 TYR OH : rot 30:sc= 1.02 USER MOD Set 3.1: A 351 GLN : amide:sc= -1.61! C(o=-4.9!,f=-6.9!) USER MOD Set 3.2: A 418 LYS NZ :NH3+ 148:sc= -3.29! (180deg=-6.48!) USER MOD Single : A 345 SER OG : rot 180:sc= 0 USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 347 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.032) USER MOD Single : A 348 TYR OH : rot 180:sc= 0 USER MOD Single : A 349 THR OG1 : rot 70:sc= -1.44 USER MOD Single : A 353 SER OG : rot -150:sc= -0.0174 USER MOD Single : A 354 SER OG : rot 30:sc= 0.11 USER MOD Single : A 355 SER OG : rot 180:sc= -0.167! USER MOD Single : A 356 SER OG : rot 180:sc= 0 USER MOD Single : A 357 ASN : amide:sc= -0.986 X(o=-0.99,f=-1.1) USER MOD Single : A 358 TYR OH : rot 180:sc= 0 USER MOD Single : A 360 ASN : amide:sc= -0.485 K(o=-0.49,f=-1.5!) USER MOD Single : A 362 ASN : amide:sc= 0.0494 K(o=0.049,f=-2!) USER MOD Single : A 367 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0813) USER MOD Single : A 369 ASN :FLIP amide:sc= -1.22 F(o=-2!,f=-1.2) USER MOD Single : A 371 LYS NZ :NH3+ -158:sc= -0.199 (180deg=-0.971) USER MOD Single : A 372 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 379 THR OG1 : rot 180:sc= 0 USER MOD Single : A 381 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.1) USER MOD Single : A 383 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.75) USER MOD Single : A 386 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= -0.0607 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 396 LYS NZ :NH3+ 160:sc= -0.0996 (180deg=-0.73) USER MOD Single : A 400 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.166) USER MOD Single : A 401 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.115) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 THR OG1 : rot -56:sc= 0.865 USER MOD Single : A 411 GLN :FLIP amide:sc= -0.0599 F(o=-1.1,f=-0.06) USER MOD Single : A 413 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 414 ASN : amide:sc= -2.17 K(o=-2.2,f=-6.7!) USER MOD Single : A 422 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 424 GLN : amide:sc= -0.412 X(o=-0.41,f=0.017) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 345 103.224 2.883 -5.706 1.00 0.00 N ATOM 322 CA SER A 345 102.795 3.404 -4.413 1.00 0.00 C ATOM 323 C SER A 345 103.697 4.552 -3.971 1.00 0.00 C ATOM 324 O SER A 345 103.381 5.274 -3.026 1.00 0.00 O ATOM 325 CB SER A 345 102.831 2.292 -3.365 1.00 0.00 C ATOM 326 OG SER A 345 104.168 2.111 -2.919 1.00 0.00 O ATOM 0 HA SER A 345 101.776 3.777 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 345 102.186 2.548 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 345 102.448 1.364 -3.789 1.00 0.00 H new ATOM 0 HG SER A 345 104.195 1.400 -2.246 1.00 0.00 H new ATOM 332 N SER A 346 104.822 4.715 -4.660 1.00 0.00 N ATOM 333 CA SER A 346 105.762 5.779 -4.327 1.00 0.00 C ATOM 334 C SER A 346 105.119 7.147 -4.537 1.00 0.00 C ATOM 335 O SER A 346 105.430 8.104 -3.829 1.00 0.00 O ATOM 336 CB SER A 346 107.013 5.662 -5.198 1.00 0.00 C ATOM 337 OG SER A 346 107.773 4.538 -4.777 1.00 0.00 O ATOM 0 H SER A 346 105.103 4.129 -5.446 1.00 0.00 H new ATOM 0 HA SER A 346 106.040 5.678 -3.278 1.00 0.00 H new ATOM 0 HB2 SER A 346 106.732 5.554 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 346 107.611 6.570 -5.120 1.00 0.00 H new ATOM 0 HG SER A 346 108.575 4.458 -5.334 1.00 0.00 H new ATOM 343 N HIS A 347 104.221 7.231 -5.514 1.00 0.00 N ATOM 344 CA HIS A 347 103.540 8.488 -5.805 1.00 0.00 C ATOM 345 C HIS A 347 102.413 8.731 -4.811 1.00 0.00 C ATOM 346 O HIS A 347 101.706 7.804 -4.419 1.00 0.00 O ATOM 347 CB HIS A 347 102.966 8.458 -7.223 1.00 0.00 C ATOM 348 CG HIS A 347 104.091 8.429 -8.219 1.00 0.00 C ATOM 349 ND1 HIS A 347 104.216 9.375 -9.225 1.00 0.00 N ATOM 350 CD2 HIS A 347 105.150 7.573 -8.377 1.00 0.00 C ATOM 351 CE1 HIS A 347 105.315 9.067 -9.936 1.00 0.00 C ATOM 352 NE2 HIS A 347 105.923 7.977 -9.461 1.00 0.00 N ATOM 0 H HIS A 347 103.950 6.451 -6.113 1.00 0.00 H new ATOM 0 HA HIS A 347 104.267 9.296 -5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 347 102.330 7.582 -7.351 1.00 0.00 H new ATOM 0 HB3 HIS A 347 102.339 9.334 -7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 347 105.354 6.715 -7.754 1.00 0.00 H new ATOM 0 HE1 HIS A 347 105.664 9.632 -10.788 1.00 0.00 H new ATOM 0 HE2 HIS A 347 106.771 7.536 -9.816 1.00 0.00 H new ATOM 361 N TYR A 348 102.248 9.991 -4.408 1.00 0.00 N ATOM 362 CA TYR A 348 101.197 10.367 -3.458 1.00 0.00 C ATOM 363 C TYR A 348 100.211 11.318 -4.128 1.00 0.00 C ATOM 364 O TYR A 348 100.583 12.098 -5.005 1.00 0.00 O ATOM 365 CB TYR A 348 101.822 11.048 -2.231 1.00 0.00 C ATOM 366 CG TYR A 348 102.392 10.000 -1.300 1.00 0.00 C ATOM 367 CD1 TYR A 348 103.585 9.345 -1.630 1.00 0.00 C ATOM 368 CD2 TYR A 348 101.725 9.682 -0.109 1.00 0.00 C ATOM 369 CE1 TYR A 348 104.111 8.372 -0.770 1.00 0.00 C ATOM 370 CE2 TYR A 348 102.251 8.711 0.750 1.00 0.00 C ATOM 371 CZ TYR A 348 103.444 8.055 0.420 1.00 0.00 C ATOM 372 OH TYR A 348 103.962 7.097 1.266 1.00 0.00 O ATOM 0 H TYR A 348 102.827 10.769 -4.723 1.00 0.00 H new ATOM 0 HA TYR A 348 100.668 9.469 -3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 348 102.608 11.735 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 348 101.070 11.641 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 348 104.100 9.590 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 348 100.805 10.187 0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 348 105.031 7.866 -1.025 1.00 0.00 H new ATOM 0 HE2 TYR A 348 101.737 8.467 1.668 1.00 0.00 H new ATOM 0 HH TYR A 348 103.377 6.999 2.046 1.00 0.00 H new ATOM 382 N THR A 349 98.949 11.245 -3.712 1.00 0.00 N ATOM 383 CA THR A 349 97.909 12.101 -4.279 1.00 0.00 C ATOM 384 C THR A 349 96.856 12.431 -3.226 1.00 0.00 C ATOM 385 O THR A 349 96.102 11.562 -2.793 1.00 0.00 O ATOM 386 CB THR A 349 97.252 11.397 -5.473 1.00 0.00 C ATOM 387 OG1 THR A 349 96.248 12.241 -6.018 1.00 0.00 O ATOM 388 CG2 THR A 349 96.617 10.070 -5.029 1.00 0.00 C ATOM 0 H THR A 349 98.622 10.605 -2.988 1.00 0.00 H new ATOM 0 HA THR A 349 98.366 13.031 -4.616 1.00 0.00 H new ATOM 0 HB THR A 349 98.013 11.188 -6.225 1.00 0.00 H new ATOM 0 HG1 THR A 349 96.669 13.010 -6.456 1.00 0.00 H new ATOM 0 HG21 THR A 349 96.155 9.583 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 349 97.386 9.420 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 349 95.858 10.265 -4.271 1.00 0.00 H new ATOM 396 N LEU A 350 96.814 13.692 -2.813 1.00 0.00 N ATOM 397 CA LEU A 350 95.852 14.125 -1.808 1.00 0.00 C ATOM 398 C LEU A 350 94.442 14.144 -2.396 1.00 0.00 C ATOM 399 O LEU A 350 94.202 13.609 -3.479 1.00 0.00 O ATOM 400 CB LEU A 350 96.229 15.524 -1.296 1.00 0.00 C ATOM 401 CG LEU A 350 97.395 15.434 -0.295 1.00 0.00 C ATOM 402 CD1 LEU A 350 96.939 14.785 1.027 1.00 0.00 C ATOM 403 CD2 LEU A 350 98.534 14.612 -0.912 1.00 0.00 C ATOM 0 H LEU A 350 97.431 14.428 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 350 95.871 13.422 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 350 96.510 16.161 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 350 95.366 15.988 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 350 97.744 16.443 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 350 97.782 14.733 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 350 96.143 15.383 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 350 96.569 13.779 0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 350 99.361 14.547 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 350 98.175 13.609 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 350 98.877 15.095 -1.827 1.00 0.00 H new ATOM 415 N GLN A 351 93.511 14.768 -1.674 1.00 0.00 N ATOM 416 CA GLN A 351 92.120 14.863 -2.122 1.00 0.00 C ATOM 417 C GLN A 351 91.624 16.299 -1.990 1.00 0.00 C ATOM 418 O GLN A 351 91.808 16.934 -0.953 1.00 0.00 O ATOM 419 CB GLN A 351 91.238 13.937 -1.284 1.00 0.00 C ATOM 420 CG GLN A 351 89.773 14.111 -1.695 1.00 0.00 C ATOM 421 CD GLN A 351 88.940 12.948 -1.167 1.00 0.00 C ATOM 422 OE1 GLN A 351 88.844 11.907 -1.817 1.00 0.00 O ATOM 423 NE2 GLN A 351 88.329 13.063 -0.020 1.00 0.00 N ATOM 0 H GLN A 351 93.694 15.216 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 351 92.067 14.561 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 351 91.545 12.901 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 351 91.358 14.164 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 351 89.387 15.052 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 351 89.695 14.161 -2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 351 88.410 13.927 0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 351 87.770 12.289 0.340 1.00 0.00 H new ATOM 432 N LEU A 352 90.993 16.805 -3.050 1.00 0.00 N ATOM 433 CA LEU A 352 90.468 18.173 -3.052 1.00 0.00 C ATOM 434 C LEU A 352 88.961 18.157 -3.290 1.00 0.00 C ATOM 435 O LEU A 352 88.312 19.203 -3.266 1.00 0.00 O ATOM 436 CB LEU A 352 91.162 19.003 -4.154 1.00 0.00 C ATOM 437 CG LEU A 352 91.474 18.113 -5.384 1.00 0.00 C ATOM 438 CD1 LEU A 352 91.391 18.948 -6.668 1.00 0.00 C ATOM 439 CD2 LEU A 352 92.890 17.529 -5.269 1.00 0.00 C ATOM 0 H LEU A 352 90.833 16.291 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 352 90.669 18.627 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 352 90.521 19.833 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 352 92.084 19.435 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 352 90.744 17.304 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 352 91.611 18.316 -7.528 1.00 0.00 H new ATOM 0 HD12 LEU A 352 90.387 19.361 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 352 92.115 19.761 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 352 93.098 16.906 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 352 93.616 18.341 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 352 92.962 16.926 -4.364 1.00 0.00 H new ATOM 451 N SER A 353 88.410 16.967 -3.522 1.00 0.00 N ATOM 452 CA SER A 353 86.973 16.825 -3.770 1.00 0.00 C ATOM 453 C SER A 353 86.396 15.680 -2.948 1.00 0.00 C ATOM 454 O SER A 353 86.915 14.565 -2.963 1.00 0.00 O ATOM 455 CB SER A 353 86.729 16.556 -5.254 1.00 0.00 C ATOM 456 OG SER A 353 87.503 17.461 -6.030 1.00 0.00 O ATOM 0 H SER A 353 88.932 16.091 -3.544 1.00 0.00 H new ATOM 0 HA SER A 353 86.480 17.752 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 353 86.998 15.528 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 353 85.671 16.673 -5.487 1.00 0.00 H new ATOM 0 HG SER A 353 87.044 17.642 -6.877 1.00 0.00 H new ATOM 462 N SER A 354 85.309 15.966 -2.233 1.00 0.00 N ATOM 463 CA SER A 354 84.647 14.960 -1.402 1.00 0.00 C ATOM 464 C SER A 354 83.134 15.144 -1.462 1.00 0.00 C ATOM 465 O SER A 354 82.621 16.228 -1.185 1.00 0.00 O ATOM 466 CB SER A 354 85.123 15.083 0.046 1.00 0.00 C ATOM 467 OG SER A 354 84.692 16.331 0.577 1.00 0.00 O ATOM 0 H SER A 354 84.868 16.885 -2.212 1.00 0.00 H new ATOM 0 HA SER A 354 84.901 13.970 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 354 84.724 14.263 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 354 86.210 15.011 0.091 1.00 0.00 H new ATOM 0 HG SER A 354 83.852 16.596 0.148 1.00 0.00 H new ATOM 473 N SER A 355 82.427 14.079 -1.826 1.00 0.00 N ATOM 474 CA SER A 355 80.972 14.131 -1.922 1.00 0.00 C ATOM 475 C SER A 355 80.416 12.762 -2.304 1.00 0.00 C ATOM 476 O SER A 355 81.148 11.774 -2.347 1.00 0.00 O ATOM 477 CB SER A 355 80.551 15.169 -2.967 1.00 0.00 C ATOM 478 OG SER A 355 79.162 15.033 -3.233 1.00 0.00 O ATOM 0 H SER A 355 82.835 13.174 -2.058 1.00 0.00 H new ATOM 0 HA SER A 355 80.570 14.417 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 355 80.767 16.174 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 355 81.124 15.031 -3.884 1.00 0.00 H new ATOM 0 HG SER A 355 78.890 15.697 -3.900 1.00 0.00 H new ATOM 484 N SER A 356 79.113 12.710 -2.579 1.00 0.00 N ATOM 485 CA SER A 356 78.458 11.456 -2.958 1.00 0.00 C ATOM 486 C SER A 356 77.432 11.700 -4.059 1.00 0.00 C ATOM 487 O SER A 356 76.279 11.282 -3.951 1.00 0.00 O ATOM 488 CB SER A 356 77.763 10.846 -1.741 1.00 0.00 C ATOM 489 OG SER A 356 78.738 10.511 -0.761 1.00 0.00 O ATOM 0 H SER A 356 78.491 13.518 -2.547 1.00 0.00 H new ATOM 0 HA SER A 356 79.217 10.768 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 356 77.043 11.552 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 356 77.205 9.957 -2.034 1.00 0.00 H new ATOM 0 HG SER A 356 78.295 10.121 0.021 1.00 0.00 H new ATOM 495 N ASN A 357 77.858 12.385 -5.119 1.00 0.00 N ATOM 496 CA ASN A 357 76.966 12.685 -6.237 1.00 0.00 C ATOM 497 C ASN A 357 77.750 12.832 -7.537 1.00 0.00 C ATOM 498 O ASN A 357 78.916 13.222 -7.532 1.00 0.00 O ATOM 499 CB ASN A 357 76.200 13.978 -5.954 1.00 0.00 C ATOM 500 CG ASN A 357 75.158 13.741 -4.866 1.00 0.00 C ATOM 501 OD1 ASN A 357 75.394 14.059 -3.700 1.00 0.00 O ATOM 502 ND2 ASN A 357 74.013 13.200 -5.179 1.00 0.00 N ATOM 0 H ASN A 357 78.808 12.740 -5.227 1.00 0.00 H new ATOM 0 HA ASN A 357 76.265 11.857 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 357 76.893 14.759 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 357 75.714 14.329 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 357 73.311 13.039 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 357 73.820 12.938 -6.146 1.00 0.00 H new ATOM 509 N TYR A 358 77.094 12.516 -8.652 1.00 0.00 N ATOM 510 CA TYR A 358 77.725 12.615 -9.971 1.00 0.00 C ATOM 511 C TYR A 358 77.368 13.942 -10.635 1.00 0.00 C ATOM 512 O TYR A 358 78.235 14.785 -10.864 1.00 0.00 O ATOM 513 CB TYR A 358 77.266 11.460 -10.863 1.00 0.00 C ATOM 514 CG TYR A 358 78.006 11.521 -12.178 1.00 0.00 C ATOM 515 CD1 TYR A 358 77.488 12.276 -13.237 1.00 0.00 C ATOM 516 CD2 TYR A 358 79.211 10.824 -12.339 1.00 0.00 C ATOM 517 CE1 TYR A 358 78.173 12.335 -14.456 1.00 0.00 C ATOM 518 CE2 TYR A 358 79.895 10.882 -13.559 1.00 0.00 C ATOM 519 CZ TYR A 358 79.377 11.638 -14.617 1.00 0.00 C ATOM 520 OH TYR A 358 80.053 11.695 -15.820 1.00 0.00 O ATOM 0 H TYR A 358 76.128 12.190 -8.671 1.00 0.00 H new ATOM 0 HA TYR A 358 78.806 12.562 -9.839 1.00 0.00 H new ATOM 0 HB2 TYR A 358 77.456 10.507 -10.370 1.00 0.00 H new ATOM 0 HB3 TYR A 358 76.191 11.522 -11.034 1.00 0.00 H new ATOM 0 HD1 TYR A 358 76.559 12.813 -13.113 1.00 0.00 H new ATOM 0 HD2 TYR A 358 79.612 10.242 -11.522 1.00 0.00 H new ATOM 0 HE1 TYR A 358 77.773 12.918 -15.272 1.00 0.00 H new ATOM 0 HE2 TYR A 358 80.823 10.343 -13.684 1.00 0.00 H new ATOM 0 HH TYR A 358 80.870 11.156 -15.762 1.00 0.00 H new ATOM 530 N ASP A 359 76.088 14.117 -10.943 1.00 0.00 N ATOM 531 CA ASP A 359 75.627 15.345 -11.583 1.00 0.00 C ATOM 532 C ASP A 359 75.977 16.562 -10.732 1.00 0.00 C ATOM 533 O ASP A 359 76.619 17.498 -11.207 1.00 0.00 O ATOM 534 CB ASP A 359 74.113 15.285 -11.794 1.00 0.00 C ATOM 535 CG ASP A 359 73.424 14.854 -10.503 1.00 0.00 C ATOM 536 OD1 ASP A 359 73.348 13.659 -10.267 1.00 0.00 O ATOM 537 OD2 ASP A 359 72.982 15.724 -9.771 1.00 0.00 O ATOM 0 H ASP A 359 75.356 13.431 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 359 76.126 15.438 -12.547 1.00 0.00 H new ATOM 0 HB2 ASP A 359 73.742 16.261 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP A 359 73.876 14.584 -12.594 1.00 0.00 H new ATOM 542 N ASN A 360 75.546 16.543 -9.476 1.00 0.00 N ATOM 543 CA ASN A 360 75.816 17.655 -8.569 1.00 0.00 C ATOM 544 C ASN A 360 77.310 17.964 -8.524 1.00 0.00 C ATOM 545 O ASN A 360 77.709 19.125 -8.441 1.00 0.00 O ATOM 546 CB ASN A 360 75.318 17.314 -7.163 1.00 0.00 C ATOM 547 CG ASN A 360 75.213 18.583 -6.321 1.00 0.00 C ATOM 548 OD1 ASN A 360 75.858 19.586 -6.627 1.00 0.00 O ATOM 549 ND2 ASN A 360 74.434 18.598 -5.274 1.00 0.00 N ATOM 0 H ASN A 360 75.013 15.777 -9.064 1.00 0.00 H new ATOM 0 HA ASN A 360 75.289 18.535 -8.937 1.00 0.00 H new ATOM 0 HB2 ASN A 360 74.345 16.826 -7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 360 76.000 16.609 -6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 360 74.358 19.442 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 360 73.901 17.765 -5.023 1.00 0.00 H new ATOM 556 N LEU A 361 78.131 16.920 -8.583 1.00 0.00 N ATOM 557 CA LEU A 361 79.579 17.100 -8.550 1.00 0.00 C ATOM 558 C LEU A 361 80.045 17.838 -9.798 1.00 0.00 C ATOM 559 O LEU A 361 80.738 18.851 -9.709 1.00 0.00 O ATOM 560 CB LEU A 361 80.274 15.736 -8.457 1.00 0.00 C ATOM 561 CG LEU A 361 81.801 15.899 -8.556 1.00 0.00 C ATOM 562 CD1 LEU A 361 82.298 16.868 -7.472 1.00 0.00 C ATOM 563 CD2 LEU A 361 82.468 14.527 -8.374 1.00 0.00 C ATOM 0 H LEU A 361 77.823 15.950 -8.653 1.00 0.00 H new ATOM 0 HA LEU A 361 79.840 17.693 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 361 80.015 15.253 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 361 79.920 15.086 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 361 82.059 16.305 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 361 83.380 16.977 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 361 81.824 17.840 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 361 82.043 16.475 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 361 83.550 14.637 -8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 361 82.206 14.122 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 361 82.122 13.848 -9.153 1.00 0.00 H new ATOM 575 N ASN A 362 79.660 17.324 -10.964 1.00 0.00 N ATOM 576 CA ASN A 362 80.045 17.947 -12.226 1.00 0.00 C ATOM 577 C ASN A 362 79.886 19.461 -12.139 1.00 0.00 C ATOM 578 O ASN A 362 80.733 20.215 -12.616 1.00 0.00 O ATOM 579 CB ASN A 362 79.179 17.398 -13.363 1.00 0.00 C ATOM 580 CG ASN A 362 79.622 15.982 -13.720 1.00 0.00 C ATOM 581 OD1 ASN A 362 80.352 15.349 -12.959 1.00 0.00 O ATOM 582 ND2 ASN A 362 79.220 15.447 -14.841 1.00 0.00 N ATOM 0 H ASN A 362 79.087 16.486 -11.060 1.00 0.00 H new ATOM 0 HA ASN A 362 81.091 17.715 -12.427 1.00 0.00 H new ATOM 0 HB2 ASN A 362 78.131 17.395 -13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 362 79.260 18.044 -14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 362 79.511 14.501 -15.088 1.00 0.00 H new ATOM 0 HD22 ASN A 362 78.615 15.975 -15.470 1.00 0.00 H new ATOM 589 N GLY A 363 78.794 19.897 -11.518 1.00 0.00 N ATOM 590 CA GLY A 363 78.532 21.321 -11.364 1.00 0.00 C ATOM 591 C GLY A 363 79.632 21.987 -10.545 1.00 0.00 C ATOM 592 O GLY A 363 80.212 22.987 -10.968 1.00 0.00 O ATOM 0 H GLY A 363 78.081 19.288 -11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 363 78.467 21.792 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 363 77.569 21.468 -10.875 1.00 0.00 H new ATOM 596 N TRP A 364 79.913 21.431 -9.369 1.00 0.00 N ATOM 597 CA TRP A 364 80.944 21.985 -8.499 1.00 0.00 C ATOM 598 C TRP A 364 82.306 21.964 -9.185 1.00 0.00 C ATOM 599 O TRP A 364 82.878 23.013 -9.482 1.00 0.00 O ATOM 600 CB TRP A 364 81.020 21.177 -7.200 1.00 0.00 C ATOM 601 CG TRP A 364 81.995 21.824 -6.272 1.00 0.00 C ATOM 602 CD1 TRP A 364 81.831 23.041 -5.705 1.00 0.00 C ATOM 603 CD2 TRP A 364 83.278 21.317 -5.796 1.00 0.00 C ATOM 604 NE1 TRP A 364 82.933 23.317 -4.911 1.00 0.00 N ATOM 605 CE2 TRP A 364 83.850 22.285 -4.935 1.00 0.00 C ATOM 606 CE3 TRP A 364 83.996 20.126 -6.022 1.00 0.00 C ATOM 607 CZ2 TRP A 364 85.087 22.080 -4.324 1.00 0.00 C ATOM 608 CZ3 TRP A 364 85.241 19.921 -5.406 1.00 0.00 C ATOM 609 CH2 TRP A 364 85.784 20.896 -4.562 1.00 0.00 C ATOM 0 H TRP A 364 79.445 20.604 -9.000 1.00 0.00 H new ATOM 0 HA TRP A 364 80.680 23.019 -8.277 1.00 0.00 H new ATOM 0 HB2 TRP A 364 80.036 21.124 -6.733 1.00 0.00 H new ATOM 0 HB3 TRP A 364 81.327 20.153 -7.413 1.00 0.00 H new ATOM 0 HD1 TRP A 364 80.981 23.691 -5.848 1.00 0.00 H new ATOM 0 HE1 TRP A 364 83.052 24.177 -4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 364 83.587 19.367 -6.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 364 85.502 22.833 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 364 85.783 19.004 -5.585 1.00 0.00 H new ATOM 0 HH2 TRP A 364 86.744 20.731 -4.095 1.00 0.00 H new ATOM 620 N ALA A 365 82.822 20.762 -9.431 1.00 0.00 N ATOM 621 CA ALA A 365 84.123 20.609 -10.079 1.00 0.00 C ATOM 622 C ALA A 365 84.300 21.632 -11.199 1.00 0.00 C ATOM 623 O ALA A 365 85.407 22.112 -11.445 1.00 0.00 O ATOM 624 CB ALA A 365 84.256 19.197 -10.651 1.00 0.00 C ATOM 0 H ALA A 365 82.362 19.883 -9.193 1.00 0.00 H new ATOM 0 HA ALA A 365 84.898 20.777 -9.331 1.00 0.00 H new ATOM 0 HB1 ALA A 365 85.228 19.090 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 365 84.168 18.468 -9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 365 83.467 19.025 -11.383 1.00 0.00 H new ATOM 630 N LYS A 366 83.202 21.963 -11.871 1.00 0.00 N ATOM 631 CA LYS A 366 83.247 22.933 -12.960 1.00 0.00 C ATOM 632 C LYS A 366 83.256 24.354 -12.407 1.00 0.00 C ATOM 633 O LYS A 366 83.921 25.237 -12.947 1.00 0.00 O ATOM 634 CB LYS A 366 82.033 22.746 -13.879 1.00 0.00 C ATOM 635 CG LYS A 366 82.130 21.401 -14.625 1.00 0.00 C ATOM 636 CD LYS A 366 82.953 21.564 -15.910 1.00 0.00 C ATOM 637 CE LYS A 366 83.009 20.227 -16.651 1.00 0.00 C ATOM 638 NZ LYS A 366 83.785 19.244 -15.843 1.00 0.00 N ATOM 0 H LYS A 366 82.277 21.577 -11.683 1.00 0.00 H new ATOM 0 HA LYS A 366 84.161 22.770 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 366 81.115 22.779 -13.292 1.00 0.00 H new ATOM 0 HB3 LYS A 366 81.982 23.565 -14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 366 82.592 20.653 -13.981 1.00 0.00 H new ATOM 0 HG3 LYS A 366 81.131 21.039 -14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 366 82.506 22.327 -16.547 1.00 0.00 H new ATOM 0 HD3 LYS A 366 83.961 21.901 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 366 82.000 19.854 -16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 366 83.475 20.359 -17.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 84.086 18.455 -16.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 84.623 19.710 -15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 83.188 18.880 -15.073 1.00 0.00 H new ATOM 652 N LYS A 367 82.513 24.566 -11.326 1.00 0.00 N ATOM 653 CA LYS A 367 82.444 25.884 -10.706 1.00 0.00 C ATOM 654 C LYS A 367 83.842 26.384 -10.355 1.00 0.00 C ATOM 655 O LYS A 367 84.308 27.385 -10.899 1.00 0.00 O ATOM 656 CB LYS A 367 81.590 25.821 -9.438 1.00 0.00 C ATOM 657 CG LYS A 367 81.532 27.206 -8.791 1.00 0.00 C ATOM 658 CD LYS A 367 80.464 27.212 -7.695 1.00 0.00 C ATOM 659 CE LYS A 367 80.290 28.634 -7.159 1.00 0.00 C ATOM 660 NZ LYS A 367 81.490 29.011 -6.359 1.00 0.00 N ATOM 0 H LYS A 367 81.954 23.848 -10.864 1.00 0.00 H new ATOM 0 HA LYS A 367 81.990 26.575 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 367 80.584 25.479 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 367 82.011 25.099 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 367 82.503 27.463 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 367 81.301 27.961 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 367 79.518 26.844 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 367 80.754 26.540 -6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 367 80.156 29.332 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 367 79.394 28.695 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 81.312 29.911 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 81.687 28.268 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 82.309 29.117 -6.991 1.00 0.00 H new ATOM 674 N GLU A 368 84.507 25.678 -9.447 1.00 0.00 N ATOM 675 CA GLU A 368 85.854 26.059 -9.034 1.00 0.00 C ATOM 676 C GLU A 368 86.803 26.034 -10.225 1.00 0.00 C ATOM 677 O GLU A 368 87.898 26.596 -10.172 1.00 0.00 O ATOM 678 CB GLU A 368 86.361 25.099 -7.956 1.00 0.00 C ATOM 679 CG GLU A 368 85.488 25.222 -6.705 1.00 0.00 C ATOM 680 CD GLU A 368 86.175 24.547 -5.523 1.00 0.00 C ATOM 681 OE1 GLU A 368 86.824 23.537 -5.738 1.00 0.00 O ATOM 682 OE2 GLU A 368 86.043 25.050 -4.420 1.00 0.00 O ATOM 0 H GLU A 368 84.140 24.846 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 368 85.819 27.071 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 368 86.339 24.075 -8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 368 87.398 25.327 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 368 85.307 26.273 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 368 84.516 24.762 -6.883 1.00 0.00 H new ATOM 689 N ASN A 369 86.379 25.377 -11.300 1.00 0.00 N ATOM 690 CA ASN A 369 87.200 25.282 -12.500 1.00 0.00 C ATOM 691 C ASN A 369 88.507 24.554 -12.197 1.00 0.00 C ATOM 692 O ASN A 369 89.587 25.029 -12.548 1.00 0.00 O ATOM 693 CB ASN A 369 87.502 26.684 -13.038 1.00 0.00 C ATOM 694 CG ASN A 369 87.985 26.599 -14.483 1.00 0.00 C ATOM 695 OD1 ASN A 369 88.806 25.647 -14.834 1.00 0.00 O flip ATOM 696 ND2 ASN A 369 87.603 27.423 -15.316 1.00 0.00 N flip ATOM 0 H ASN A 369 85.477 24.905 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 369 86.650 24.717 -13.253 1.00 0.00 H new ATOM 0 HB2 ASN A 369 86.607 27.304 -12.981 1.00 0.00 H new ATOM 0 HB3 ASN A 369 88.262 27.163 -12.420 1.00 0.00 H new ATOM 0 HD21 ASN A 369 86.961 28.167 -15.041 1.00 0.00 H new ATOM 0 HD22 ASN A 369 87.928 27.361 -16.281 1.00 0.00 H new ATOM 703 N LEU A 370 88.399 23.400 -11.548 1.00 0.00 N ATOM 704 CA LEU A 370 89.582 22.616 -11.209 1.00 0.00 C ATOM 705 C LEU A 370 90.377 22.290 -12.470 1.00 0.00 C ATOM 706 O LEU A 370 89.873 21.632 -13.380 1.00 0.00 O ATOM 707 CB LEU A 370 89.173 21.315 -10.506 1.00 0.00 C ATOM 708 CG LEU A 370 88.187 21.620 -9.371 1.00 0.00 C ATOM 709 CD1 LEU A 370 87.716 20.304 -8.741 1.00 0.00 C ATOM 710 CD2 LEU A 370 88.875 22.482 -8.302 1.00 0.00 C ATOM 0 H LEU A 370 87.515 22.989 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 370 90.206 23.204 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 370 88.716 20.633 -11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 370 90.055 20.814 -10.108 1.00 0.00 H new ATOM 0 HG LEU A 370 87.331 22.162 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 370 87.015 20.517 -7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 370 87.223 19.694 -9.498 1.00 0.00 H new ATOM 0 HD13 LEU A 370 88.575 19.764 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 370 88.170 22.696 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 370 89.734 21.945 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 370 89.210 23.418 -8.749 1.00 0.00 H new ATOM 722 N LYS A 371 91.619 22.762 -12.520 1.00 0.00 N ATOM 723 CA LYS A 371 92.474 22.523 -13.680 1.00 0.00 C ATOM 724 C LYS A 371 93.086 21.127 -13.626 1.00 0.00 C ATOM 725 O LYS A 371 93.536 20.673 -12.574 1.00 0.00 O ATOM 726 CB LYS A 371 93.591 23.566 -13.726 1.00 0.00 C ATOM 727 CG LYS A 371 94.418 23.487 -12.441 1.00 0.00 C ATOM 728 CD LYS A 371 95.378 24.676 -12.376 1.00 0.00 C ATOM 729 CE LYS A 371 96.196 24.600 -11.086 1.00 0.00 C ATOM 730 NZ LYS A 371 95.277 24.453 -9.923 1.00 0.00 N ATOM 0 H LYS A 371 92.054 23.309 -11.777 1.00 0.00 H new ATOM 0 HA LYS A 371 91.860 22.601 -14.578 1.00 0.00 H new ATOM 0 HB2 LYS A 371 94.229 23.393 -14.593 1.00 0.00 H new ATOM 0 HB3 LYS A 371 93.167 24.564 -13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 371 93.760 23.490 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 371 94.978 22.552 -12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 371 96.041 24.669 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 371 94.819 25.611 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 371 96.884 23.756 -11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 371 96.802 25.499 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 95.760 24.768 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 94.427 25.033 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 95.002 23.455 -9.822 1.00 0.00 H new ATOM 744 N ASN A 372 93.101 20.452 -14.773 1.00 0.00 N ATOM 745 CA ASN A 372 93.662 19.108 -14.851 1.00 0.00 C ATOM 746 C ASN A 372 92.951 18.172 -13.879 1.00 0.00 C ATOM 747 O ASN A 372 93.289 18.116 -12.697 1.00 0.00 O ATOM 748 CB ASN A 372 95.157 19.148 -14.526 1.00 0.00 C ATOM 749 CG ASN A 372 95.829 17.860 -14.992 1.00 0.00 C ATOM 750 OD1 ASN A 372 96.364 17.803 -16.100 1.00 0.00 O ATOM 751 ND2 ASN A 372 95.836 16.817 -14.209 1.00 0.00 N ATOM 0 H ASN A 372 92.734 20.811 -15.654 1.00 0.00 H new ATOM 0 HA ASN A 372 93.521 18.733 -15.865 1.00 0.00 H new ATOM 0 HB2 ASN A 372 95.620 20.006 -15.013 1.00 0.00 H new ATOM 0 HB3 ASN A 372 95.301 19.275 -13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 372 96.285 15.953 -14.514 1.00 0.00 H new ATOM 0 HD22 ASN A 372 95.393 16.865 -13.292 1.00 0.00 H new ATOM 758 N TYR A 373 91.965 17.439 -14.386 1.00 0.00 N ATOM 759 CA TYR A 373 91.213 16.509 -13.551 1.00 0.00 C ATOM 760 C TYR A 373 90.339 15.600 -14.410 1.00 0.00 C ATOM 761 O TYR A 373 89.963 15.956 -15.527 1.00 0.00 O ATOM 762 CB TYR A 373 90.336 17.286 -12.568 1.00 0.00 C ATOM 763 CG TYR A 373 89.264 18.034 -13.329 1.00 0.00 C ATOM 764 CD1 TYR A 373 89.610 19.134 -14.123 1.00 0.00 C ATOM 765 CD2 TYR A 373 87.926 17.629 -13.242 1.00 0.00 C ATOM 766 CE1 TYR A 373 88.621 19.827 -14.829 1.00 0.00 C ATOM 767 CE2 TYR A 373 86.936 18.323 -13.947 1.00 0.00 C ATOM 768 CZ TYR A 373 87.283 19.422 -14.741 1.00 0.00 C ATOM 769 OH TYR A 373 86.307 20.106 -15.437 1.00 0.00 O ATOM 0 H TYR A 373 91.670 17.470 -15.362 1.00 0.00 H new ATOM 0 HA TYR A 373 91.921 15.892 -12.998 1.00 0.00 H new ATOM 0 HB2 TYR A 373 89.879 16.602 -11.853 1.00 0.00 H new ATOM 0 HB3 TYR A 373 90.945 17.985 -11.995 1.00 0.00 H new ATOM 0 HD1 TYR A 373 90.641 19.448 -14.190 1.00 0.00 H new ATOM 0 HD2 TYR A 373 87.658 16.780 -12.630 1.00 0.00 H new ATOM 0 HE1 TYR A 373 88.889 20.675 -15.442 1.00 0.00 H new ATOM 0 HE2 TYR A 373 85.904 18.011 -13.878 1.00 0.00 H new ATOM 0 HH TYR A 373 86.693 20.485 -16.254 1.00 0.00 H new ATOM 779 N VAL A 374 90.017 14.421 -13.878 1.00 0.00 N ATOM 780 CA VAL A 374 89.184 13.455 -14.596 1.00 0.00 C ATOM 781 C VAL A 374 88.215 12.772 -13.636 1.00 0.00 C ATOM 782 O VAL A 374 88.616 12.280 -12.580 1.00 0.00 O ATOM 783 CB VAL A 374 90.067 12.401 -15.264 1.00 0.00 C ATOM 784 CG1 VAL A 374 89.232 11.590 -16.257 1.00 0.00 C ATOM 785 CG2 VAL A 374 91.211 13.095 -16.008 1.00 0.00 C ATOM 0 H VAL A 374 90.319 14.112 -12.954 1.00 0.00 H new ATOM 0 HA VAL A 374 88.614 13.987 -15.357 1.00 0.00 H new ATOM 0 HB VAL A 374 90.476 11.734 -14.505 1.00 0.00 H new ATOM 0 HG11 VAL A 374 89.862 10.838 -16.733 1.00 0.00 H new ATOM 0 HG12 VAL A 374 88.416 11.098 -15.729 1.00 0.00 H new ATOM 0 HG13 VAL A 374 88.823 12.255 -17.017 1.00 0.00 H new ATOM 0 HG21 VAL A 374 91.842 12.345 -16.485 1.00 0.00 H new ATOM 0 HG22 VAL A 374 90.800 13.760 -16.767 1.00 0.00 H new ATOM 0 HG23 VAL A 374 91.806 13.674 -15.302 1.00 0.00 H new ATOM 795 N VAL A 375 86.937 12.743 -14.008 1.00 0.00 N ATOM 796 CA VAL A 375 85.915 12.117 -13.173 1.00 0.00 C ATOM 797 C VAL A 375 85.811 10.627 -13.482 1.00 0.00 C ATOM 798 O VAL A 375 85.698 10.231 -14.642 1.00 0.00 O ATOM 799 CB VAL A 375 84.560 12.784 -13.427 1.00 0.00 C ATOM 800 CG1 VAL A 375 83.584 12.411 -12.308 1.00 0.00 C ATOM 801 CG2 VAL A 375 84.739 14.304 -13.465 1.00 0.00 C ATOM 0 H VAL A 375 86.586 13.144 -14.878 1.00 0.00 H new ATOM 0 HA VAL A 375 86.197 12.242 -12.128 1.00 0.00 H new ATOM 0 HB VAL A 375 84.161 12.441 -14.382 1.00 0.00 H new ATOM 0 HG11 VAL A 375 82.621 12.887 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 375 83.455 11.329 -12.283 1.00 0.00 H new ATOM 0 HG13 VAL A 375 83.980 12.751 -11.351 1.00 0.00 H new ATOM 0 HG21 VAL A 375 83.775 14.779 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 375 85.140 14.647 -12.511 1.00 0.00 H new ATOM 0 HG23 VAL A 375 85.430 14.569 -14.265 1.00 0.00 H new ATOM 811 N TYR A 376 85.851 9.802 -12.437 1.00 0.00 N ATOM 812 CA TYR A 376 85.760 8.356 -12.616 1.00 0.00 C ATOM 813 C TYR A 376 85.267 7.681 -11.339 1.00 0.00 C ATOM 814 O TYR A 376 84.963 8.347 -10.349 1.00 0.00 O ATOM 815 CB TYR A 376 87.128 7.792 -13.009 1.00 0.00 C ATOM 816 CG TYR A 376 88.080 7.886 -11.835 1.00 0.00 C ATOM 817 CD1 TYR A 376 88.521 9.139 -11.390 1.00 0.00 C ATOM 818 CD2 TYR A 376 88.521 6.722 -11.192 1.00 0.00 C ATOM 819 CE1 TYR A 376 89.402 9.226 -10.305 1.00 0.00 C ATOM 820 CE2 TYR A 376 89.401 6.809 -10.108 1.00 0.00 C ATOM 821 CZ TYR A 376 89.842 8.061 -9.664 1.00 0.00 C ATOM 822 OH TYR A 376 90.711 8.149 -8.595 1.00 0.00 O ATOM 0 H TYR A 376 85.945 10.107 -11.468 1.00 0.00 H new ATOM 0 HA TYR A 376 85.043 8.152 -13.412 1.00 0.00 H new ATOM 0 HB2 TYR A 376 87.026 6.753 -13.324 1.00 0.00 H new ATOM 0 HB3 TYR A 376 87.529 8.345 -13.859 1.00 0.00 H new ATOM 0 HD1 TYR A 376 88.182 10.038 -11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 376 88.181 5.756 -11.534 1.00 0.00 H new ATOM 0 HE1 TYR A 376 89.742 10.192 -9.962 1.00 0.00 H new ATOM 0 HE2 TYR A 376 89.740 5.910 -9.614 1.00 0.00 H new ATOM 0 HH TYR A 376 90.916 7.249 -8.265 1.00 0.00 H new ATOM 832 N GLU A 377 85.185 6.353 -11.374 1.00 0.00 N ATOM 833 CA GLU A 377 84.721 5.585 -10.225 1.00 0.00 C ATOM 834 C GLU A 377 85.883 5.244 -9.302 1.00 0.00 C ATOM 835 O GLU A 377 86.951 4.834 -9.754 1.00 0.00 O ATOM 836 CB GLU A 377 84.049 4.295 -10.701 1.00 0.00 C ATOM 837 CG GLU A 377 83.651 3.446 -9.491 1.00 0.00 C ATOM 838 CD GLU A 377 82.671 2.359 -9.917 1.00 0.00 C ATOM 839 OE1 GLU A 377 81.534 2.694 -10.207 1.00 0.00 O ATOM 840 OE2 GLU A 377 83.071 1.206 -9.947 1.00 0.00 O ATOM 0 H GLU A 377 85.434 5.788 -12.186 1.00 0.00 H new ATOM 0 HA GLU A 377 84.002 6.190 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 377 83.168 4.531 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 377 84.728 3.735 -11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 377 84.537 2.994 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 377 83.197 4.077 -8.727 1.00 0.00 H new ATOM 847 N THR A 378 85.661 5.415 -8.004 1.00 0.00 N ATOM 848 CA THR A 378 86.686 5.126 -7.005 1.00 0.00 C ATOM 849 C THR A 378 86.023 4.590 -5.739 1.00 0.00 C ATOM 850 O THR A 378 84.805 4.416 -5.704 1.00 0.00 O ATOM 851 CB THR A 378 87.476 6.406 -6.702 1.00 0.00 C ATOM 852 OG1 THR A 378 87.970 6.949 -7.918 1.00 0.00 O ATOM 853 CG2 THR A 378 88.653 6.112 -5.767 1.00 0.00 C ATOM 0 H THR A 378 84.780 5.753 -7.617 1.00 0.00 H new ATOM 0 HA THR A 378 87.375 4.371 -7.385 1.00 0.00 H new ATOM 0 HB THR A 378 86.811 7.118 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 378 88.794 6.484 -8.173 1.00 0.00 H new ATOM 0 HG21 THR A 378 89.198 7.035 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 378 88.279 5.701 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 378 89.321 5.391 -6.238 1.00 0.00 H new ATOM 861 N THR A 379 86.817 4.324 -4.700 1.00 0.00 N ATOM 862 CA THR A 379 86.282 3.802 -3.438 1.00 0.00 C ATOM 863 C THR A 379 86.589 4.753 -2.288 1.00 0.00 C ATOM 864 O THR A 379 87.575 5.490 -2.321 1.00 0.00 O ATOM 865 CB THR A 379 86.902 2.435 -3.140 1.00 0.00 C ATOM 866 OG1 THR A 379 88.280 2.598 -2.842 1.00 0.00 O ATOM 867 CG2 THR A 379 86.745 1.524 -4.358 1.00 0.00 C ATOM 0 H THR A 379 87.828 4.460 -4.706 1.00 0.00 H new ATOM 0 HA THR A 379 85.201 3.705 -3.537 1.00 0.00 H new ATOM 0 HB THR A 379 86.396 1.984 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 379 88.679 1.724 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 379 87.187 0.551 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 379 85.686 1.399 -4.585 1.00 0.00 H new ATOM 0 HG23 THR A 379 87.250 1.971 -5.214 1.00 0.00 H new ATOM 875 N ARG A 380 85.735 4.728 -1.272 1.00 0.00 N ATOM 876 CA ARG A 380 85.914 5.587 -0.109 1.00 0.00 C ATOM 877 C ARG A 380 84.966 5.166 1.010 1.00 0.00 C ATOM 878 O ARG A 380 83.822 5.614 1.065 1.00 0.00 O ATOM 879 CB ARG A 380 85.647 7.044 -0.488 1.00 0.00 C ATOM 880 CG ARG A 380 86.102 7.956 0.653 1.00 0.00 C ATOM 881 CD ARG A 380 85.713 9.401 0.337 1.00 0.00 C ATOM 882 NE ARG A 380 84.262 9.546 0.342 1.00 0.00 N ATOM 883 CZ ARG A 380 83.680 10.648 -0.118 1.00 0.00 C ATOM 884 NH1 ARG A 380 84.410 11.623 -0.588 1.00 0.00 N ATOM 885 NH2 ARG A 380 82.380 10.756 -0.103 1.00 0.00 N ATOM 0 H ARG A 380 84.914 4.124 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 380 86.942 5.489 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 380 86.180 7.297 -1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 380 84.585 7.192 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 380 85.642 7.641 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 380 87.181 7.879 0.786 1.00 0.00 H new ATOM 0 HD2 ARG A 380 86.155 10.073 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 380 86.111 9.688 -0.637 1.00 0.00 H new ATOM 0 HE ARG A 380 83.684 8.788 0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 380 85.426 11.538 -0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 380 83.964 12.469 -0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 380 81.809 9.994 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 380 81.934 11.603 -0.456 1.00 0.00 H new ATOM 899 N ASN A 381 85.450 4.299 1.894 1.00 0.00 N ATOM 900 CA ASN A 381 84.633 3.820 3.004 1.00 0.00 C ATOM 901 C ASN A 381 83.434 3.037 2.480 1.00 0.00 C ATOM 902 O ASN A 381 82.294 3.495 2.568 1.00 0.00 O ATOM 903 CB ASN A 381 84.152 5.004 3.849 1.00 0.00 C ATOM 904 CG ASN A 381 85.283 6.012 4.018 1.00 0.00 C ATOM 905 OD1 ASN A 381 86.454 5.634 4.049 1.00 0.00 O ATOM 906 ND2 ASN A 381 85.001 7.282 4.130 1.00 0.00 N ATOM 0 H ASN A 381 86.395 3.917 1.865 1.00 0.00 H new ATOM 0 HA ASN A 381 85.240 3.160 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 381 83.297 5.481 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 381 83.816 4.653 4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 381 85.752 7.963 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 381 84.030 7.593 4.104 1.00 0.00 H new ATOM 913 N GLY A 382 83.704 1.848 1.939 1.00 0.00 N ATOM 914 CA GLY A 382 82.650 0.988 1.398 1.00 0.00 C ATOM 915 C GLY A 382 81.545 1.808 0.737 1.00 0.00 C ATOM 916 O GLY A 382 80.380 1.407 0.728 1.00 0.00 O ATOM 0 H GLY A 382 84.644 1.458 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 382 83.079 0.299 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 382 82.226 0.382 2.199 1.00 0.00 H new ATOM 920 N GLN A 383 81.919 2.965 0.193 1.00 0.00 N ATOM 921 CA GLN A 383 80.958 3.854 -0.465 1.00 0.00 C ATOM 922 C GLN A 383 81.594 4.503 -1.700 1.00 0.00 C ATOM 923 O GLN A 383 82.311 5.496 -1.572 1.00 0.00 O ATOM 924 CB GLN A 383 80.530 4.952 0.512 1.00 0.00 C ATOM 925 CG GLN A 383 79.336 5.717 -0.066 1.00 0.00 C ATOM 926 CD GLN A 383 78.095 4.833 -0.061 1.00 0.00 C ATOM 927 OE1 GLN A 383 77.789 4.184 -1.062 1.00 0.00 O ATOM 928 NE2 GLN A 383 77.356 4.766 1.013 1.00 0.00 N ATOM 0 H GLN A 383 82.879 3.310 0.194 1.00 0.00 H new ATOM 0 HA GLN A 383 80.091 3.269 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 383 80.263 4.513 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 383 81.360 5.635 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 383 79.153 6.617 0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 383 79.558 6.039 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 383 77.610 5.304 1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 383 76.524 4.176 1.024 1.00 0.00 H new ATOM 937 N PRO A 384 81.360 3.980 -2.886 1.00 0.00 N ATOM 938 CA PRO A 384 81.946 4.554 -4.135 1.00 0.00 C ATOM 939 C PRO A 384 81.833 6.078 -4.180 1.00 0.00 C ATOM 940 O PRO A 384 80.815 6.646 -3.784 1.00 0.00 O ATOM 941 CB PRO A 384 81.123 3.895 -5.246 1.00 0.00 C ATOM 942 CG PRO A 384 80.725 2.570 -4.680 1.00 0.00 C ATOM 943 CD PRO A 384 80.522 2.799 -3.179 1.00 0.00 C ATOM 0 HA PRO A 384 83.015 4.360 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 384 80.250 4.495 -5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 384 81.709 3.778 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 384 79.810 2.205 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 384 81.496 1.821 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 384 79.474 2.983 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 384 80.834 1.932 -2.596 1.00 0.00 H new ATOM 951 N TRP A 385 82.888 6.731 -4.663 1.00 0.00 N ATOM 952 CA TRP A 385 82.910 8.191 -4.754 1.00 0.00 C ATOM 953 C TRP A 385 83.755 8.629 -5.950 1.00 0.00 C ATOM 954 O TRP A 385 84.705 7.954 -6.328 1.00 0.00 O ATOM 955 CB TRP A 385 83.468 8.779 -3.436 1.00 0.00 C ATOM 956 CG TRP A 385 84.141 10.102 -3.674 1.00 0.00 C ATOM 957 CD1 TRP A 385 85.440 10.367 -3.404 1.00 0.00 C ATOM 958 CD2 TRP A 385 83.580 11.326 -4.230 1.00 0.00 C ATOM 959 NE1 TRP A 385 85.712 11.678 -3.757 1.00 0.00 N ATOM 960 CE2 TRP A 385 84.596 12.311 -4.271 1.00 0.00 C ATOM 961 CE3 TRP A 385 82.301 11.676 -4.698 1.00 0.00 C ATOM 962 CZ2 TRP A 385 84.351 13.597 -4.760 1.00 0.00 C ATOM 963 CZ3 TRP A 385 82.052 12.967 -5.189 1.00 0.00 C ATOM 964 CH2 TRP A 385 83.076 13.925 -5.220 1.00 0.00 C ATOM 0 H TRP A 385 83.737 6.275 -4.997 1.00 0.00 H new ATOM 0 HA TRP A 385 81.897 8.565 -4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 385 82.657 8.904 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 385 84.179 8.080 -2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 385 86.149 9.670 -2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 385 86.624 12.122 -3.651 1.00 0.00 H new ATOM 0 HE3 TRP A 385 81.505 10.946 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 85.143 14.331 -4.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 81.066 13.224 -5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 385 82.877 14.916 -5.600 1.00 0.00 H new ATOM 975 N TYR A 386 83.400 9.771 -6.537 1.00 0.00 N ATOM 976 CA TYR A 386 84.137 10.301 -7.683 1.00 0.00 C ATOM 977 C TYR A 386 85.180 11.311 -7.211 1.00 0.00 C ATOM 978 O TYR A 386 84.938 12.517 -7.214 1.00 0.00 O ATOM 979 CB TYR A 386 83.169 10.978 -8.655 1.00 0.00 C ATOM 980 CG TYR A 386 81.972 10.084 -8.876 1.00 0.00 C ATOM 981 CD1 TYR A 386 80.891 10.130 -7.989 1.00 0.00 C ATOM 982 CD2 TYR A 386 81.945 9.208 -9.967 1.00 0.00 C ATOM 983 CE1 TYR A 386 79.783 9.300 -8.193 1.00 0.00 C ATOM 984 CE2 TYR A 386 80.837 8.377 -10.172 1.00 0.00 C ATOM 985 CZ TYR A 386 79.756 8.423 -9.284 1.00 0.00 C ATOM 986 OH TYR A 386 78.663 7.604 -9.486 1.00 0.00 O ATOM 0 H TYR A 386 82.611 10.345 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 386 84.640 9.478 -8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 386 82.849 11.940 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 386 83.668 11.177 -9.603 1.00 0.00 H new ATOM 0 HD1 TYR A 386 80.912 10.806 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 386 82.780 9.173 -10.651 1.00 0.00 H new ATOM 0 HE1 TYR A 386 78.948 9.336 -7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 386 80.816 7.701 -11.014 1.00 0.00 H new ATOM 0 HH TYR A 386 78.806 7.059 -10.288 1.00 0.00 H new ATOM 996 N VAL A 387 86.342 10.805 -6.804 1.00 0.00 N ATOM 997 CA VAL A 387 87.420 11.665 -6.326 1.00 0.00 C ATOM 998 C VAL A 387 88.211 12.218 -7.502 1.00 0.00 C ATOM 999 O VAL A 387 88.504 11.501 -8.458 1.00 0.00 O ATOM 1000 CB VAL A 387 88.351 10.880 -5.397 1.00 0.00 C ATOM 1001 CG1 VAL A 387 88.994 9.725 -6.166 1.00 0.00 C ATOM 1002 CG2 VAL A 387 89.445 11.811 -4.870 1.00 0.00 C ATOM 0 H VAL A 387 86.560 9.809 -6.796 1.00 0.00 H new ATOM 0 HA VAL A 387 86.983 12.495 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 387 87.775 10.481 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 387 89.656 9.169 -5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 387 88.216 9.061 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 387 89.569 10.121 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 387 90.109 11.254 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 387 90.018 12.210 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 387 88.989 12.633 -4.318 1.00 0.00 H new ATOM 1012 N LEU A 388 88.539 13.505 -7.433 1.00 0.00 N ATOM 1013 CA LEU A 388 89.287 14.169 -8.503 1.00 0.00 C ATOM 1014 C LEU A 388 90.657 14.617 -8.003 1.00 0.00 C ATOM 1015 O LEU A 388 90.775 15.636 -7.323 1.00 0.00 O ATOM 1016 CB LEU A 388 88.503 15.391 -8.994 1.00 0.00 C ATOM 1017 CG LEU A 388 87.020 15.041 -9.145 1.00 0.00 C ATOM 1018 CD1 LEU A 388 86.251 16.281 -9.606 1.00 0.00 C ATOM 1019 CD2 LEU A 388 86.857 13.930 -10.186 1.00 0.00 C ATOM 0 H LEU A 388 88.300 14.111 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 388 89.425 13.462 -9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 388 88.620 16.215 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 388 88.904 15.729 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 388 86.629 14.701 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 388 85.195 16.035 -9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 388 86.365 17.075 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 388 86.645 16.618 -10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 388 85.801 13.683 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 388 87.248 14.270 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 388 87.406 13.046 -9.863 1.00 0.00 H new ATOM 1031 N VAL A 389 91.694 13.855 -8.347 1.00 0.00 N ATOM 1032 CA VAL A 389 93.055 14.188 -7.932 1.00 0.00 C ATOM 1033 C VAL A 389 93.715 15.102 -8.961 1.00 0.00 C ATOM 1034 O VAL A 389 93.367 15.077 -10.141 1.00 0.00 O ATOM 1035 CB VAL A 389 93.882 12.907 -7.784 1.00 0.00 C ATOM 1036 CG1 VAL A 389 93.476 12.175 -6.503 1.00 0.00 C ATOM 1037 CG2 VAL A 389 93.632 11.997 -8.991 1.00 0.00 C ATOM 0 H VAL A 389 91.618 13.007 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 389 93.010 14.706 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 389 94.940 13.165 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 389 94.067 11.264 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 389 93.654 12.821 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 389 92.418 11.918 -6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 389 94.220 11.085 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 389 92.573 11.742 -9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 389 93.925 12.515 -9.904 1.00 0.00 H new ATOM 1047 N SER A 390 94.671 15.910 -8.505 1.00 0.00 N ATOM 1048 CA SER A 390 95.383 16.834 -9.390 1.00 0.00 C ATOM 1049 C SER A 390 96.747 16.267 -9.769 1.00 0.00 C ATOM 1050 O SER A 390 97.721 16.419 -9.032 1.00 0.00 O ATOM 1051 CB SER A 390 95.567 18.183 -8.693 1.00 0.00 C ATOM 1052 OG SER A 390 96.625 18.895 -9.320 1.00 0.00 O ATOM 0 H SER A 390 94.971 15.945 -7.531 1.00 0.00 H new ATOM 0 HA SER A 390 94.793 16.969 -10.296 1.00 0.00 H new ATOM 0 HB2 SER A 390 94.644 18.761 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 390 95.790 18.032 -7.637 1.00 0.00 H new ATOM 0 HG SER A 390 96.745 19.761 -8.877 1.00 0.00 H new ATOM 1058 N GLY A 391 96.807 15.614 -10.924 1.00 0.00 N ATOM 1059 CA GLY A 391 98.056 15.028 -11.395 1.00 0.00 C ATOM 1060 C GLY A 391 98.597 14.018 -10.391 1.00 0.00 C ATOM 1061 O GLY A 391 97.845 13.217 -9.835 1.00 0.00 O ATOM 0 H GLY A 391 96.011 15.478 -11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 391 97.893 14.540 -12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 391 98.793 15.815 -11.558 1.00 0.00 H new ATOM 1065 N VAL A 392 99.907 14.063 -10.163 1.00 0.00 N ATOM 1066 CA VAL A 392 100.549 13.147 -9.221 1.00 0.00 C ATOM 1067 C VAL A 392 101.832 13.760 -8.668 1.00 0.00 C ATOM 1068 O VAL A 392 102.599 14.385 -9.399 1.00 0.00 O ATOM 1069 CB VAL A 392 100.882 11.823 -9.914 1.00 0.00 C ATOM 1070 CG1 VAL A 392 99.591 11.107 -10.320 1.00 0.00 C ATOM 1071 CG2 VAL A 392 101.724 12.100 -11.161 1.00 0.00 C ATOM 0 H VAL A 392 100.543 14.720 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 392 99.856 12.964 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 392 101.441 11.189 -9.226 1.00 0.00 H new ATOM 0 HG11 VAL A 392 99.836 10.166 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 392 98.991 10.906 -9.432 1.00 0.00 H new ATOM 0 HG13 VAL A 392 99.025 11.738 -11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 392 101.962 11.158 -11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 392 101.163 12.737 -11.845 1.00 0.00 H new ATOM 0 HG23 VAL A 392 102.648 12.602 -10.872 1.00 0.00 H new ATOM 1081 N TYR A 393 102.060 13.570 -7.368 1.00 0.00 N ATOM 1082 CA TYR A 393 103.256 14.100 -6.711 1.00 0.00 C ATOM 1083 C TYR A 393 104.315 13.008 -6.579 1.00 0.00 C ATOM 1084 O TYR A 393 104.000 11.865 -6.247 1.00 0.00 O ATOM 1085 CB TYR A 393 102.894 14.631 -5.324 1.00 0.00 C ATOM 1086 CG TYR A 393 101.936 15.790 -5.465 1.00 0.00 C ATOM 1087 CD1 TYR A 393 102.427 17.078 -5.709 1.00 0.00 C ATOM 1088 CD2 TYR A 393 100.557 15.577 -5.352 1.00 0.00 C ATOM 1089 CE1 TYR A 393 101.539 18.153 -5.841 1.00 0.00 C ATOM 1090 CE2 TYR A 393 99.669 16.650 -5.484 1.00 0.00 C ATOM 1091 CZ TYR A 393 100.160 17.939 -5.728 1.00 0.00 C ATOM 1092 OH TYR A 393 99.285 18.998 -5.859 1.00 0.00 O ATOM 0 H TYR A 393 101.434 13.054 -6.750 1.00 0.00 H new ATOM 0 HA TYR A 393 103.657 14.912 -7.317 1.00 0.00 H new ATOM 0 HB2 TYR A 393 102.440 13.840 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 393 103.794 14.951 -4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 393 103.491 17.243 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 393 100.178 14.583 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 393 101.918 19.147 -6.030 1.00 0.00 H new ATOM 0 HE2 TYR A 393 98.605 16.485 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 393 98.365 18.677 -5.754 1.00 0.00 H new ATOM 1102 N ALA A 394 105.569 13.364 -6.847 1.00 0.00 N ATOM 1103 CA ALA A 394 106.660 12.397 -6.759 1.00 0.00 C ATOM 1104 C ALA A 394 106.545 11.568 -5.485 1.00 0.00 C ATOM 1105 O ALA A 394 106.338 10.356 -5.542 1.00 0.00 O ATOM 1106 CB ALA A 394 108.005 13.124 -6.776 1.00 0.00 C ATOM 0 H ALA A 394 105.853 14.304 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 394 106.596 11.730 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 394 108.813 12.396 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 394 108.101 13.690 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 394 108.061 13.806 -5.927 1.00 0.00 H new ATOM 1112 N SER A 395 106.684 12.224 -4.331 1.00 0.00 N ATOM 1113 CA SER A 395 106.596 11.540 -3.037 1.00 0.00 C ATOM 1114 C SER A 395 105.551 12.210 -2.153 1.00 0.00 C ATOM 1115 O SER A 395 104.785 13.055 -2.616 1.00 0.00 O ATOM 1116 CB SER A 395 107.954 11.579 -2.338 1.00 0.00 C ATOM 1117 OG SER A 395 108.357 12.932 -2.169 1.00 0.00 O ATOM 0 H SER A 395 106.858 13.227 -4.265 1.00 0.00 H new ATOM 0 HA SER A 395 106.303 10.504 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 395 107.892 11.082 -1.370 1.00 0.00 H new ATOM 0 HB3 SER A 395 108.695 11.038 -2.927 1.00 0.00 H new ATOM 0 HG SER A 395 109.227 12.960 -1.719 1.00 0.00 H new ATOM 1123 N LYS A 396 105.524 11.830 -0.880 1.00 0.00 N ATOM 1124 CA LYS A 396 104.565 12.402 0.058 1.00 0.00 C ATOM 1125 C LYS A 396 104.926 13.850 0.380 1.00 0.00 C ATOM 1126 O LYS A 396 104.047 14.700 0.525 1.00 0.00 O ATOM 1127 CB LYS A 396 104.543 11.582 1.350 1.00 0.00 C ATOM 1128 CG LYS A 396 103.555 12.210 2.335 1.00 0.00 C ATOM 1129 CD LYS A 396 103.323 11.253 3.506 1.00 0.00 C ATOM 1130 CE LYS A 396 102.395 11.912 4.528 1.00 0.00 C ATOM 1131 NZ LYS A 396 101.141 12.348 3.852 1.00 0.00 N ATOM 0 H LYS A 396 106.150 11.134 -0.476 1.00 0.00 H new ATOM 0 HA LYS A 396 103.578 12.379 -0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 396 104.255 10.553 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 396 105.540 11.549 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 396 103.944 13.161 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 396 102.611 12.423 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 396 102.884 10.322 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 396 104.274 10.997 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 396 102.164 11.211 5.330 1.00 0.00 H new ATOM 0 HE3 LYS A 396 102.890 12.768 4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 100.391 12.477 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 101.308 13.247 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 100.847 11.624 3.165 1.00 0.00 H new ATOM 1145 N GLU A 397 106.220 14.122 0.492 1.00 0.00 N ATOM 1146 CA GLU A 397 106.685 15.470 0.798 1.00 0.00 C ATOM 1147 C GLU A 397 105.967 16.499 -0.069 1.00 0.00 C ATOM 1148 O GLU A 397 105.060 17.191 0.393 1.00 0.00 O ATOM 1149 CB GLU A 397 108.193 15.568 0.566 1.00 0.00 C ATOM 1150 CG GLU A 397 108.910 14.500 1.394 1.00 0.00 C ATOM 1151 CD GLU A 397 108.692 14.761 2.881 1.00 0.00 C ATOM 1152 OE1 GLU A 397 108.524 15.914 3.242 1.00 0.00 O ATOM 1153 OE2 GLU A 397 108.697 13.803 3.637 1.00 0.00 O ATOM 0 H GLU A 397 106.963 13.432 0.376 1.00 0.00 H new ATOM 0 HA GLU A 397 106.464 15.679 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 397 108.418 15.434 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 397 108.550 16.559 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 397 108.535 13.511 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 397 109.976 14.507 1.167 1.00 0.00 H new ATOM 1160 N GLU A 398 106.381 16.597 -1.328 1.00 0.00 N ATOM 1161 CA GLU A 398 105.775 17.548 -2.253 1.00 0.00 C ATOM 1162 C GLU A 398 104.253 17.450 -2.210 1.00 0.00 C ATOM 1163 O GLU A 398 103.551 18.419 -2.502 1.00 0.00 O ATOM 1164 CB GLU A 398 106.263 17.274 -3.677 1.00 0.00 C ATOM 1165 CG GLU A 398 107.792 17.284 -3.704 1.00 0.00 C ATOM 1166 CD GLU A 398 108.288 17.262 -5.146 1.00 0.00 C ATOM 1167 OE1 GLU A 398 108.188 18.287 -5.802 1.00 0.00 O ATOM 1168 OE2 GLU A 398 108.759 16.221 -5.575 1.00 0.00 O ATOM 0 H GLU A 398 107.130 16.033 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 398 106.070 18.553 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 398 105.889 16.310 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 398 105.872 18.030 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 398 108.167 18.172 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 398 108.179 16.420 -3.164 1.00 0.00 H new ATOM 1175 N ALA A 399 103.748 16.277 -1.845 1.00 0.00 N ATOM 1176 CA ALA A 399 102.307 16.068 -1.771 1.00 0.00 C ATOM 1177 C ALA A 399 101.733 16.735 -0.521 1.00 0.00 C ATOM 1178 O ALA A 399 100.564 17.122 -0.493 1.00 0.00 O ATOM 1179 CB ALA A 399 101.996 14.568 -1.749 1.00 0.00 C ATOM 0 H ALA A 399 104.310 15.462 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 399 101.846 16.518 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 399 100.917 14.421 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 399 102.379 14.104 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 399 102.470 14.111 -0.880 1.00 0.00 H new ATOM 1185 N LYS A 400 102.563 16.863 0.507 1.00 0.00 N ATOM 1186 CA LYS A 400 102.129 17.483 1.754 1.00 0.00 C ATOM 1187 C LYS A 400 101.901 18.980 1.561 1.00 0.00 C ATOM 1188 O LYS A 400 100.782 19.471 1.707 1.00 0.00 O ATOM 1189 CB LYS A 400 103.180 17.262 2.844 1.00 0.00 C ATOM 1190 CG LYS A 400 102.692 17.879 4.156 1.00 0.00 C ATOM 1191 CD LYS A 400 103.627 17.468 5.295 1.00 0.00 C ATOM 1192 CE LYS A 400 103.357 18.346 6.519 1.00 0.00 C ATOM 1193 NZ LYS A 400 101.954 18.142 6.977 1.00 0.00 N ATOM 0 H LYS A 400 103.533 16.549 0.503 1.00 0.00 H new ATOM 0 HA LYS A 400 101.190 17.020 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 400 103.363 16.196 2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 400 104.127 17.713 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 400 102.663 18.965 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 400 101.675 17.548 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 400 103.473 16.419 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 400 104.666 17.571 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 400 104.052 18.095 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 400 103.521 19.395 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 101.847 18.513 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 101.304 18.644 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 101.731 17.126 6.970 1.00 0.00 H new ATOM 1207 N LYS A 401 102.970 19.700 1.233 1.00 0.00 N ATOM 1208 CA LYS A 401 102.875 21.141 1.025 1.00 0.00 C ATOM 1209 C LYS A 401 101.905 21.458 -0.109 1.00 0.00 C ATOM 1210 O LYS A 401 101.589 22.621 -0.360 1.00 0.00 O ATOM 1211 CB LYS A 401 104.257 21.714 0.693 1.00 0.00 C ATOM 1212 CG LYS A 401 105.112 21.760 1.962 1.00 0.00 C ATOM 1213 CD LYS A 401 106.541 22.166 1.601 1.00 0.00 C ATOM 1214 CE LYS A 401 107.387 22.249 2.873 1.00 0.00 C ATOM 1215 NZ LYS A 401 107.022 23.480 3.632 1.00 0.00 N ATOM 0 H LYS A 401 103.905 19.313 1.106 1.00 0.00 H new ATOM 0 HA LYS A 401 102.503 21.597 1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 401 104.744 21.100 -0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 401 104.156 22.715 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 401 104.689 22.471 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 401 105.112 20.785 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 401 106.973 21.441 0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 401 106.538 23.129 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 401 107.223 21.366 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 401 108.447 22.267 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 107.734 23.657 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 106.988 24.291 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 106.090 23.351 4.074 1.00 0.00 H new ATOM 1229 N ALA A 402 101.437 20.419 -0.792 1.00 0.00 N ATOM 1230 CA ALA A 402 100.504 20.605 -1.897 1.00 0.00 C ATOM 1231 C ALA A 402 99.182 21.174 -1.393 1.00 0.00 C ATOM 1232 O ALA A 402 98.494 21.899 -2.111 1.00 0.00 O ATOM 1233 CB ALA A 402 100.252 19.270 -2.599 1.00 0.00 C ATOM 0 H ALA A 402 101.685 19.448 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 402 100.944 21.309 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 402 99.554 19.418 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 402 101.193 18.879 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 402 99.829 18.560 -1.889 1.00 0.00 H new ATOM 1239 N VAL A 403 98.831 20.836 -0.157 1.00 0.00 N ATOM 1240 CA VAL A 403 97.584 21.315 0.432 1.00 0.00 C ATOM 1241 C VAL A 403 97.527 22.841 0.425 1.00 0.00 C ATOM 1242 O VAL A 403 96.565 23.431 -0.063 1.00 0.00 O ATOM 1243 CB VAL A 403 97.456 20.804 1.868 1.00 0.00 C ATOM 1244 CG1 VAL A 403 96.125 21.274 2.459 1.00 0.00 C ATOM 1245 CG2 VAL A 403 97.500 19.274 1.869 1.00 0.00 C ATOM 0 H VAL A 403 99.387 20.237 0.453 1.00 0.00 H new ATOM 0 HA VAL A 403 96.757 20.935 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 403 98.279 21.193 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 403 96.033 20.910 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 403 96.090 22.363 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 403 95.303 20.883 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 403 97.409 18.908 2.892 1.00 0.00 H new ATOM 0 HG22 VAL A 403 96.676 18.886 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 403 98.446 18.937 1.446 1.00 0.00 H new ATOM 1255 N SER A 404 98.559 23.473 0.975 1.00 0.00 N ATOM 1256 CA SER A 404 98.608 24.931 1.029 1.00 0.00 C ATOM 1257 C SER A 404 98.208 25.542 -0.311 1.00 0.00 C ATOM 1258 O SER A 404 97.424 26.489 -0.361 1.00 0.00 O ATOM 1259 CB SER A 404 100.020 25.388 1.398 1.00 0.00 C ATOM 1260 OG SER A 404 100.064 26.808 1.416 1.00 0.00 O ATOM 0 H SER A 404 99.366 23.004 1.386 1.00 0.00 H new ATOM 0 HA SER A 404 97.901 25.268 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 404 100.300 24.992 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 404 100.740 24.999 0.678 1.00 0.00 H new ATOM 0 HG SER A 404 100.967 27.104 1.654 1.00 0.00 H new ATOM 1266 N THR A 405 98.755 24.999 -1.393 1.00 0.00 N ATOM 1267 CA THR A 405 98.451 25.505 -2.727 1.00 0.00 C ATOM 1268 C THR A 405 96.943 25.547 -2.961 1.00 0.00 C ATOM 1269 O THR A 405 96.447 26.382 -3.717 1.00 0.00 O ATOM 1270 CB THR A 405 99.111 24.619 -3.787 1.00 0.00 C ATOM 1271 OG1 THR A 405 98.370 23.414 -3.923 1.00 0.00 O ATOM 1272 CG2 THR A 405 100.545 24.295 -3.364 1.00 0.00 C ATOM 0 H THR A 405 99.406 24.214 -1.374 1.00 0.00 H new ATOM 0 HA THR A 405 98.844 26.519 -2.805 1.00 0.00 H new ATOM 0 HB THR A 405 99.128 25.145 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 405 98.306 22.969 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 405 101.013 23.664 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 405 101.112 25.220 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 405 100.533 23.769 -2.409 1.00 0.00 H new ATOM 1280 N LEU A 406 96.217 24.644 -2.307 1.00 0.00 N ATOM 1281 CA LEU A 406 94.766 24.591 -2.455 1.00 0.00 C ATOM 1282 C LEU A 406 94.103 25.676 -1.596 1.00 0.00 C ATOM 1283 O LEU A 406 94.615 26.020 -0.531 1.00 0.00 O ATOM 1284 CB LEU A 406 94.253 23.212 -2.026 1.00 0.00 C ATOM 1285 CG LEU A 406 95.206 22.129 -2.533 1.00 0.00 C ATOM 1286 CD1 LEU A 406 94.633 20.751 -2.196 1.00 0.00 C ATOM 1287 CD2 LEU A 406 95.367 22.258 -4.050 1.00 0.00 C ATOM 0 H LEU A 406 96.606 23.945 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 406 94.513 24.765 -3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 406 94.176 23.163 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 406 93.252 23.045 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 406 96.178 22.247 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 406 95.311 19.977 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 406 94.519 20.659 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 406 93.661 20.634 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 406 96.046 21.486 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 406 94.396 22.140 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 406 95.774 23.240 -4.291 1.00 0.00 H new ATOM 1299 N PRO A 407 92.981 26.217 -2.021 1.00 0.00 N ATOM 1300 CA PRO A 407 92.263 27.275 -1.246 1.00 0.00 C ATOM 1301 C PRO A 407 91.571 26.702 -0.007 1.00 0.00 C ATOM 1302 O PRO A 407 91.534 25.487 0.188 1.00 0.00 O ATOM 1303 CB PRO A 407 91.243 27.822 -2.254 1.00 0.00 C ATOM 1304 CG PRO A 407 90.958 26.672 -3.162 1.00 0.00 C ATOM 1305 CD PRO A 407 92.271 25.894 -3.275 1.00 0.00 C ATOM 0 HA PRO A 407 92.935 28.041 -0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 407 90.338 28.167 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 407 91.646 28.672 -2.805 1.00 0.00 H new ATOM 0 HG2 PRO A 407 90.164 26.043 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 407 90.624 27.019 -4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 407 92.094 24.823 -3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 407 92.844 26.201 -4.150 1.00 0.00 H new ATOM 1313 N ALA A 408 91.027 27.585 0.823 1.00 0.00 N ATOM 1314 CA ALA A 408 90.342 27.158 2.038 1.00 0.00 C ATOM 1315 C ALA A 408 89.195 26.208 1.708 1.00 0.00 C ATOM 1316 O ALA A 408 89.154 25.077 2.190 1.00 0.00 O ATOM 1317 CB ALA A 408 89.798 28.377 2.786 1.00 0.00 C ATOM 0 H ALA A 408 91.046 28.595 0.679 1.00 0.00 H new ATOM 0 HA ALA A 408 91.060 26.633 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 408 89.288 28.050 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 408 90.623 29.038 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 408 89.096 28.912 2.147 1.00 0.00 H new ATOM 1323 N ASP A 409 88.260 26.680 0.885 1.00 0.00 N ATOM 1324 CA ASP A 409 87.107 25.869 0.495 1.00 0.00 C ATOM 1325 C ASP A 409 87.515 24.417 0.251 1.00 0.00 C ATOM 1326 O ASP A 409 86.883 23.491 0.757 1.00 0.00 O ATOM 1327 CB ASP A 409 86.475 26.442 -0.774 1.00 0.00 C ATOM 1328 CG ASP A 409 85.992 27.866 -0.518 1.00 0.00 C ATOM 1329 OD1 ASP A 409 85.309 28.071 0.472 1.00 0.00 O ATOM 1330 OD2 ASP A 409 86.312 28.731 -1.317 1.00 0.00 O ATOM 0 H ASP A 409 88.277 27.615 0.477 1.00 0.00 H new ATOM 0 HA ASP A 409 86.383 25.893 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 409 87.201 26.436 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 409 85.639 25.817 -1.089 1.00 0.00 H new ATOM 1335 N VAL A 410 88.576 24.229 -0.526 1.00 0.00 N ATOM 1336 CA VAL A 410 89.064 22.889 -0.832 1.00 0.00 C ATOM 1337 C VAL A 410 89.716 22.265 0.400 1.00 0.00 C ATOM 1338 O VAL A 410 89.695 21.048 0.578 1.00 0.00 O ATOM 1339 CB VAL A 410 90.078 22.961 -1.977 1.00 0.00 C ATOM 1340 CG1 VAL A 410 90.698 21.582 -2.211 1.00 0.00 C ATOM 1341 CG2 VAL A 410 89.369 23.422 -3.255 1.00 0.00 C ATOM 0 H VAL A 410 89.113 24.984 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 410 88.221 22.267 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 410 90.865 23.669 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 410 91.418 21.641 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 410 91.204 21.252 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 410 89.914 20.870 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 410 90.089 23.474 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 410 88.581 22.713 -3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 410 88.932 24.407 -3.093 1.00 0.00 H new ATOM 1351 N GLN A 411 90.296 23.111 1.245 1.00 0.00 N ATOM 1352 CA GLN A 411 90.957 22.637 2.459 1.00 0.00 C ATOM 1353 C GLN A 411 89.932 22.379 3.561 1.00 0.00 C ATOM 1354 O GLN A 411 90.258 21.816 4.606 1.00 0.00 O ATOM 1355 CB GLN A 411 91.978 23.676 2.937 1.00 0.00 C ATOM 1356 CG GLN A 411 92.975 23.021 3.900 1.00 0.00 C ATOM 1357 CD GLN A 411 94.020 24.040 4.340 1.00 0.00 C ATOM 1358 OE1 GLN A 411 95.013 24.328 3.545 1.00 0.00 O flip ATOM 1359 NE2 GLN A 411 93.929 24.587 5.439 1.00 0.00 N flip ATOM 0 H GLN A 411 90.323 24.122 1.114 1.00 0.00 H new ATOM 0 HA GLN A 411 91.470 21.703 2.232 1.00 0.00 H new ATOM 0 HB2 GLN A 411 92.507 24.098 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 411 91.466 24.500 3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 411 92.449 22.628 4.770 1.00 0.00 H new ATOM 0 HG3 GLN A 411 93.462 22.176 3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 411 93.151 24.360 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 411 94.631 25.267 5.730 1.00 0.00 H new ATOM 1368 N ALA A 412 88.692 22.794 3.321 1.00 0.00 N ATOM 1369 CA ALA A 412 87.630 22.602 4.303 1.00 0.00 C ATOM 1370 C ALA A 412 87.120 21.164 4.271 1.00 0.00 C ATOM 1371 O ALA A 412 86.455 20.710 5.202 1.00 0.00 O ATOM 1372 CB ALA A 412 86.473 23.560 4.013 1.00 0.00 C ATOM 0 H ALA A 412 88.399 23.261 2.463 1.00 0.00 H new ATOM 0 HA ALA A 412 88.036 22.809 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 412 85.684 23.411 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 412 86.830 24.588 4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 412 86.080 23.364 3.016 1.00 0.00 H new ATOM 1378 N LYS A 413 87.435 20.454 3.193 1.00 0.00 N ATOM 1379 CA LYS A 413 87.002 19.067 3.047 1.00 0.00 C ATOM 1380 C LYS A 413 87.891 18.144 3.868 1.00 0.00 C ATOM 1381 O LYS A 413 87.684 16.931 3.898 1.00 0.00 O ATOM 1382 CB LYS A 413 87.057 18.651 1.570 1.00 0.00 C ATOM 1383 CG LYS A 413 86.663 19.837 0.690 1.00 0.00 C ATOM 1384 CD LYS A 413 85.277 20.345 1.102 1.00 0.00 C ATOM 1385 CE LYS A 413 84.704 21.230 -0.008 1.00 0.00 C ATOM 1386 NZ LYS A 413 83.489 21.930 0.495 1.00 0.00 N ATOM 0 H LYS A 413 87.985 20.812 2.412 1.00 0.00 H new ATOM 0 HA LYS A 413 85.977 18.986 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 413 88.061 18.313 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 413 86.383 17.813 1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 413 87.398 20.636 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 413 86.655 19.538 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 413 84.611 19.503 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 413 85.347 20.910 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 413 85.449 21.957 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 413 84.454 20.624 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 413 83.098 22.532 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 413 82.777 21.228 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 413 83.742 22.520 1.313 1.00 0.00 H new ATOM 1400 N ASN A 414 88.882 18.725 4.528 1.00 0.00 N ATOM 1401 CA ASN A 414 89.803 17.950 5.343 1.00 0.00 C ATOM 1402 C ASN A 414 90.452 16.838 4.525 1.00 0.00 C ATOM 1403 O ASN A 414 90.206 15.655 4.763 1.00 0.00 O ATOM 1404 CB ASN A 414 89.067 17.348 6.541 1.00 0.00 C ATOM 1405 CG ASN A 414 88.375 18.450 7.337 1.00 0.00 C ATOM 1406 OD1 ASN A 414 87.724 19.320 6.757 1.00 0.00 O ATOM 1407 ND2 ASN A 414 88.476 18.465 8.638 1.00 0.00 N ATOM 0 H ASN A 414 89.068 19.728 4.515 1.00 0.00 H new ATOM 0 HA ASN A 414 90.586 18.619 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 414 88.332 16.620 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 414 89.771 16.814 7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 414 88.015 19.198 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 414 89.016 17.743 9.116 1.00 0.00 H new ATOM 1414 N PRO A 415 91.277 17.196 3.576 1.00 0.00 N ATOM 1415 CA PRO A 415 91.984 16.211 2.705 1.00 0.00 C ATOM 1416 C PRO A 415 92.665 15.110 3.518 1.00 0.00 C ATOM 1417 O PRO A 415 93.288 15.379 4.545 1.00 0.00 O ATOM 1418 CB PRO A 415 93.017 17.069 1.959 1.00 0.00 C ATOM 1419 CG PRO A 415 92.421 18.439 1.924 1.00 0.00 C ATOM 1420 CD PRO A 415 91.625 18.585 3.223 1.00 0.00 C ATOM 0 HA PRO A 415 91.302 15.684 2.038 1.00 0.00 H new ATOM 0 HB2 PRO A 415 93.978 17.069 2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 415 93.194 16.689 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 415 93.197 19.201 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 415 91.775 18.562 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 415 92.217 19.061 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 415 90.735 19.197 3.081 1.00 0.00 H new ATOM 1428 N TRP A 416 92.544 13.868 3.048 1.00 0.00 N ATOM 1429 CA TRP A 416 93.153 12.722 3.730 1.00 0.00 C ATOM 1430 C TRP A 416 94.028 11.934 2.761 1.00 0.00 C ATOM 1431 O TRP A 416 93.601 11.598 1.656 1.00 0.00 O ATOM 1432 CB TRP A 416 92.062 11.809 4.296 1.00 0.00 C ATOM 1433 CG TRP A 416 91.270 11.216 3.175 1.00 0.00 C ATOM 1434 CD1 TRP A 416 90.426 11.902 2.371 1.00 0.00 C ATOM 1435 CD2 TRP A 416 91.230 9.831 2.725 1.00 0.00 C ATOM 1436 NE1 TRP A 416 89.871 11.026 1.454 1.00 0.00 N ATOM 1437 CE2 TRP A 416 90.336 9.738 1.633 1.00 0.00 C ATOM 1438 CE3 TRP A 416 91.877 8.658 3.154 1.00 0.00 C ATOM 1439 CZ2 TRP A 416 90.092 8.524 0.988 1.00 0.00 C ATOM 1440 CZ3 TRP A 416 91.633 7.434 2.507 1.00 0.00 C ATOM 1441 CH2 TRP A 416 90.743 7.369 1.427 1.00 0.00 C ATOM 0 H TRP A 416 92.031 13.629 2.199 1.00 0.00 H new ATOM 0 HA TRP A 416 93.772 13.092 4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 416 92.512 11.017 4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 416 91.407 12.376 4.957 1.00 0.00 H new ATOM 0 HD1 TRP A 416 90.219 12.960 2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 416 89.201 11.298 0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 416 92.565 8.698 3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 416 89.405 8.478 0.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 416 92.134 6.539 2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 416 90.560 6.426 0.934 1.00 0.00 H new ATOM 1452 N ALA A 417 95.253 11.645 3.182 1.00 0.00 N ATOM 1453 CA ALA A 417 96.185 10.898 2.343 1.00 0.00 C ATOM 1454 C ALA A 417 95.542 9.607 1.845 1.00 0.00 C ATOM 1455 O ALA A 417 94.720 9.004 2.533 1.00 0.00 O ATOM 1456 CB ALA A 417 97.453 10.573 3.134 1.00 0.00 C ATOM 0 H ALA A 417 95.624 11.914 4.093 1.00 0.00 H new ATOM 0 HA ALA A 417 96.445 11.513 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 417 98.144 10.015 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 417 97.926 11.499 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 417 97.194 9.972 4.006 1.00 0.00 H new ATOM 1462 N LYS A 418 95.927 9.190 0.642 1.00 0.00 N ATOM 1463 CA LYS A 418 95.386 7.968 0.053 1.00 0.00 C ATOM 1464 C LYS A 418 96.352 7.412 -0.997 1.00 0.00 C ATOM 1465 O LYS A 418 96.193 7.667 -2.191 1.00 0.00 O ATOM 1466 CB LYS A 418 94.031 8.270 -0.601 1.00 0.00 C ATOM 1467 CG LYS A 418 94.104 9.611 -1.342 1.00 0.00 C ATOM 1468 CD LYS A 418 92.962 9.707 -2.361 1.00 0.00 C ATOM 1469 CE LYS A 418 91.615 9.682 -1.636 1.00 0.00 C ATOM 1470 NZ LYS A 418 91.631 10.667 -0.518 1.00 0.00 N ATOM 0 H LYS A 418 96.608 9.677 0.059 1.00 0.00 H new ATOM 0 HA LYS A 418 95.255 7.224 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 418 93.766 7.473 -1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 418 93.249 8.305 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 418 94.038 10.434 -0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 418 95.064 9.704 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 418 93.056 10.625 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 418 93.021 8.878 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 418 90.811 9.920 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 418 91.417 8.682 -1.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 90.675 11.054 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 91.941 10.196 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 92.288 11.440 -0.746 1.00 0.00 H new ATOM 1484 N PRO A 419 97.341 6.658 -0.583 1.00 0.00 N ATOM 1485 CA PRO A 419 98.341 6.063 -1.521 1.00 0.00 C ATOM 1486 C PRO A 419 97.675 5.386 -2.718 1.00 0.00 C ATOM 1487 O PRO A 419 96.542 4.912 -2.625 1.00 0.00 O ATOM 1488 CB PRO A 419 99.090 5.049 -0.646 1.00 0.00 C ATOM 1489 CG PRO A 419 98.985 5.595 0.741 1.00 0.00 C ATOM 1490 CD PRO A 419 97.624 6.291 0.817 1.00 0.00 C ATOM 0 HA PRO A 419 98.997 6.814 -1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 419 98.642 4.058 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 419 100.131 4.951 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 419 99.058 4.798 1.481 1.00 0.00 H new ATOM 0 HG3 PRO A 419 99.794 6.296 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 419 96.858 5.629 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 419 97.659 7.169 1.462 1.00 0.00 H new ATOM 1498 N LEU A 420 98.386 5.344 -3.839 1.00 0.00 N ATOM 1499 CA LEU A 420 97.855 4.723 -5.047 1.00 0.00 C ATOM 1500 C LEU A 420 97.698 3.217 -4.841 1.00 0.00 C ATOM 1501 O LEU A 420 97.126 2.521 -5.680 1.00 0.00 O ATOM 1502 CB LEU A 420 98.794 4.990 -6.233 1.00 0.00 C ATOM 1503 CG LEU A 420 98.602 6.423 -6.760 1.00 0.00 C ATOM 1504 CD1 LEU A 420 97.240 6.574 -7.469 1.00 0.00 C ATOM 1505 CD2 LEU A 420 98.692 7.413 -5.594 1.00 0.00 C ATOM 0 H LEU A 420 99.325 5.730 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 420 96.878 5.155 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 420 99.829 4.845 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 420 98.596 4.273 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 420 99.389 6.634 -7.484 1.00 0.00 H new ATOM 0 HD11 LEU A 420 97.130 7.596 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 420 97.189 5.883 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 420 96.437 6.350 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 420 98.556 8.428 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 420 97.914 7.187 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 420 99.670 7.329 -5.120 1.00 0.00 H new ATOM 1517 N ARG A 421 98.211 2.722 -3.718 1.00 0.00 N ATOM 1518 CA ARG A 421 98.128 1.298 -3.405 1.00 0.00 C ATOM 1519 C ARG A 421 96.764 0.962 -2.802 1.00 0.00 C ATOM 1520 O ARG A 421 96.512 -0.177 -2.409 1.00 0.00 O ATOM 1521 CB ARG A 421 99.244 0.917 -2.421 1.00 0.00 C ATOM 1522 CG ARG A 421 99.523 -0.588 -2.496 1.00 0.00 C ATOM 1523 CD ARG A 421 100.661 -0.945 -1.539 1.00 0.00 C ATOM 1524 NE ARG A 421 101.142 -2.295 -1.808 1.00 0.00 N ATOM 1525 CZ ARG A 421 100.482 -3.362 -1.369 1.00 0.00 C ATOM 1526 NH1 ARG A 421 99.381 -3.211 -0.684 1.00 0.00 N ATOM 1527 NH2 ARG A 421 100.934 -4.559 -1.623 1.00 0.00 N ATOM 0 H ARG A 421 98.687 3.283 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 421 98.250 0.729 -4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 421 100.151 1.475 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 421 98.954 1.191 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 421 98.625 -1.148 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 421 99.789 -0.869 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 421 101.477 -0.231 -1.651 1.00 0.00 H new ATOM 0 HD3 ARG A 421 100.315 -0.873 -0.508 1.00 0.00 H new ATOM 0 HE ARG A 421 102.001 -2.423 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 421 99.028 -2.275 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 421 98.874 -4.029 -0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 421 101.794 -4.676 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 421 100.427 -5.378 -1.286 1.00 0.00 H new ATOM 1541 N GLN A 422 95.886 1.961 -2.730 1.00 0.00 N ATOM 1542 CA GLN A 422 94.548 1.762 -2.170 1.00 0.00 C ATOM 1543 C GLN A 422 93.534 1.539 -3.284 1.00 0.00 C ATOM 1544 O GLN A 422 92.717 0.621 -3.221 1.00 0.00 O ATOM 1545 CB GLN A 422 94.141 2.987 -1.348 1.00 0.00 C ATOM 1546 CG GLN A 422 92.854 2.682 -0.579 1.00 0.00 C ATOM 1547 CD GLN A 422 92.534 3.826 0.376 1.00 0.00 C ATOM 1548 OE1 GLN A 422 93.316 4.870 0.415 1.00 0.00 O flip ATOM 1549 NE2 GLN A 422 91.544 3.768 1.106 1.00 0.00 N flip ATOM 0 H GLN A 422 96.074 2.911 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 422 94.568 0.882 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 422 94.938 3.253 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 422 93.991 3.844 -2.004 1.00 0.00 H new ATOM 0 HG2 GLN A 422 92.029 2.538 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 422 92.965 1.752 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 422 90.934 2.951 1.074 1.00 0.00 H new ATOM 0 HE22 GLN A 422 91.334 4.537 1.743 1.00 0.00 H new ATOM 1558 N VAL A 423 93.597 2.384 -4.306 1.00 0.00 N ATOM 1559 CA VAL A 423 92.683 2.273 -5.434 1.00 0.00 C ATOM 1560 C VAL A 423 92.871 0.935 -6.144 1.00 0.00 C ATOM 1561 O VAL A 423 92.156 0.620 -7.095 1.00 0.00 O ATOM 1562 CB VAL A 423 92.940 3.420 -6.417 1.00 0.00 C ATOM 1563 CG1 VAL A 423 92.351 4.718 -5.860 1.00 0.00 C ATOM 1564 CG2 VAL A 423 94.448 3.591 -6.617 1.00 0.00 C ATOM 0 H VAL A 423 94.268 3.149 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 423 91.659 2.331 -5.064 1.00 0.00 H new ATOM 0 HB VAL A 423 92.468 3.189 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 423 92.535 5.532 -6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 423 91.277 4.598 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 423 92.820 4.950 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 423 94.632 4.407 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 423 94.918 3.820 -5.661 1.00 0.00 H new ATOM 0 HG23 VAL A 423 94.869 2.668 -7.017 1.00 0.00 H new ATOM 1574 N GLN A 424 93.838 0.152 -5.677 1.00 0.00 N ATOM 1575 CA GLN A 424 94.112 -1.148 -6.278 1.00 0.00 C ATOM 1576 C GLN A 424 92.821 -1.942 -6.453 1.00 0.00 C ATOM 1577 O GLN A 424 92.790 -2.945 -7.166 1.00 0.00 O ATOM 1578 CB GLN A 424 95.085 -1.936 -5.401 1.00 0.00 C ATOM 1579 CG GLN A 424 96.417 -1.189 -5.320 1.00 0.00 C ATOM 1580 CD GLN A 424 97.160 -1.298 -6.648 1.00 0.00 C ATOM 1581 OE1 GLN A 424 97.629 -0.294 -7.182 1.00 0.00 O ATOM 1582 NE2 GLN A 424 97.295 -2.465 -7.215 1.00 0.00 N ATOM 0 H GLN A 424 94.441 0.393 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 424 94.559 -0.985 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 424 94.668 -2.066 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 424 95.239 -2.933 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 424 96.241 -0.141 -5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 424 97.027 -1.604 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 424 96.905 -3.296 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 424 97.790 -2.546 -8.103 1.00 0.00 H new