USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 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 Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=-0.21) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 604 LYS NZ :NH3+ -148:sc= -0.574 (180deg=-1.45) USER MOD Single : A 605 MET CE :methyl 172:sc= 0 (180deg=-0.0793) USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 152:sc= 1.33 (180deg=0.69) USER MOD Single : A 622 LYS NZ :NH3+ -120:sc= -0.781 (180deg=-4.08!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 628 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.22) USER MOD Single : A 629 THR OG1 : rot 66:sc= 1.28 USER MOD Single : A 631 SER OG : rot -67:sc= 1.1 USER MOD Single : A 644 GLN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 654 HIS :FLIP no HD1:sc= -8.65! C(o=-9.6!,f=-8.7!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 104:sc= 1.23 USER MOD Single : A 659 GLN : amide:sc= 0.363 K(o=0.36,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 321 N SER A 581 1.153 10.035 -1.791 1.00 53.03 N ATOM 322 CA SER A 581 0.082 10.315 -2.741 1.00 1.12 C ATOM 323 C SER A 581 -0.383 9.034 -3.428 1.00 32.11 C ATOM 324 O SER A 581 0.114 7.946 -3.139 1.00 23.30 O ATOM 325 CB SER A 581 0.550 11.328 -3.787 1.00 13.12 C ATOM 326 OG SER A 581 0.653 12.627 -3.229 1.00 43.22 O ATOM 0 HA SER A 581 -0.758 10.737 -2.189 1.00 1.12 H new ATOM 0 HB2 SER A 581 1.517 11.023 -4.186 1.00 13.12 H new ATOM 0 HB3 SER A 581 -0.150 11.342 -4.623 1.00 13.12 H new ATOM 0 HG SER A 581 0.956 13.256 -3.917 1.00 43.22 H new ATOM 331 N VAL A 582 -1.340 9.173 -4.340 1.00 40.12 N ATOM 332 CA VAL A 582 -1.871 8.029 -5.071 1.00 45.43 C ATOM 333 C VAL A 582 -0.750 7.209 -5.699 1.00 51.25 C ATOM 334 O VAL A 582 -0.815 5.981 -5.741 1.00 60.43 O ATOM 335 CB VAL A 582 -2.849 8.473 -6.174 1.00 15.24 C ATOM 336 CG1 VAL A 582 -3.372 7.268 -6.942 1.00 32.31 C ATOM 337 CG2 VAL A 582 -3.997 9.275 -5.579 1.00 22.33 C ATOM 0 H VAL A 582 -1.763 10.067 -4.590 1.00 40.12 H new ATOM 0 HA VAL A 582 -2.406 7.412 -4.349 1.00 45.43 H new ATOM 0 HB VAL A 582 -2.312 9.114 -6.873 1.00 15.24 H new ATOM 0 HG11 VAL A 582 -4.062 7.602 -7.717 1.00 32.31 H new ATOM 0 HG12 VAL A 582 -2.537 6.739 -7.402 1.00 32.31 H new ATOM 0 HG13 VAL A 582 -3.892 6.598 -6.257 1.00 32.31 H new ATOM 0 HG21 VAL A 582 -4.678 9.580 -6.374 1.00 22.33 H new ATOM 0 HG22 VAL A 582 -4.534 8.660 -4.857 1.00 22.33 H new ATOM 0 HG23 VAL A 582 -3.602 10.160 -5.080 1.00 22.33 H new ATOM 347 N ALA A 583 0.276 7.897 -6.187 1.00 71.22 N ATOM 348 CA ALA A 583 1.414 7.232 -6.811 1.00 41.01 C ATOM 349 C ALA A 583 2.245 6.480 -5.777 1.00 4.43 C ATOM 350 O ALA A 583 2.789 5.414 -6.063 1.00 23.21 O ATOM 351 CB ALA A 583 2.277 8.245 -7.549 1.00 65.03 C ATOM 0 H ALA A 583 0.343 8.914 -6.163 1.00 71.22 H new ATOM 0 HA ALA A 583 1.031 6.506 -7.528 1.00 41.01 H new ATOM 0 HB1 ALA A 583 3.123 7.735 -8.010 1.00 65.03 H new ATOM 0 HB2 ALA A 583 1.684 8.735 -8.321 1.00 65.03 H new ATOM 0 HB3 ALA A 583 2.644 8.992 -6.845 1.00 65.03 H new ATOM 357 N GLU A 584 2.337 7.040 -4.576 1.00 51.34 N ATOM 358 CA GLU A 584 3.103 6.421 -3.501 1.00 10.10 C ATOM 359 C GLU A 584 2.358 5.221 -2.923 1.00 61.03 C ATOM 360 O GLU A 584 2.904 4.122 -2.831 1.00 62.45 O ATOM 361 CB GLU A 584 3.387 7.440 -2.395 1.00 64.24 C ATOM 362 CG GLU A 584 4.356 8.535 -2.810 1.00 14.41 C ATOM 363 CD GLU A 584 5.680 8.452 -2.076 1.00 52.20 C ATOM 364 OE1 GLU A 584 6.405 7.456 -2.273 1.00 24.33 O ATOM 365 OE2 GLU A 584 5.990 9.384 -1.304 1.00 54.32 O ATOM 0 H GLU A 584 1.891 7.921 -4.322 1.00 51.34 H new ATOM 0 HA GLU A 584 4.049 6.074 -3.917 1.00 10.10 H new ATOM 0 HB2 GLU A 584 2.448 7.897 -2.084 1.00 64.24 H new ATOM 0 HB3 GLU A 584 3.791 6.919 -1.527 1.00 64.24 H new ATOM 0 HG2 GLU A 584 4.535 8.469 -3.883 1.00 14.41 H new ATOM 0 HG3 GLU A 584 3.901 9.508 -2.622 1.00 14.41 H new ATOM 370 N VAL A 585 1.106 5.441 -2.534 1.00 22.03 N ATOM 371 CA VAL A 585 0.285 4.379 -1.965 1.00 14.53 C ATOM 372 C VAL A 585 0.239 3.166 -2.887 1.00 22.40 C ATOM 373 O VAL A 585 0.177 2.026 -2.426 1.00 33.44 O ATOM 374 CB VAL A 585 -1.154 4.862 -1.701 1.00 31.45 C ATOM 375 CG1 VAL A 585 -2.008 3.726 -1.159 1.00 10.34 C ATOM 376 CG2 VAL A 585 -1.151 6.043 -0.741 1.00 2.14 C ATOM 0 H VAL A 585 0.638 6.345 -2.603 1.00 22.03 H new ATOM 0 HA VAL A 585 0.746 4.096 -1.019 1.00 14.53 H new ATOM 0 HB VAL A 585 -1.588 5.191 -2.645 1.00 31.45 H new ATOM 0 HG11 VAL A 585 -3.021 4.086 -0.979 1.00 10.34 H new ATOM 0 HG12 VAL A 585 -2.036 2.913 -1.885 1.00 10.34 H new ATOM 0 HG13 VAL A 585 -1.580 3.363 -0.224 1.00 10.34 H new ATOM 0 HG21 VAL A 585 -2.175 6.372 -0.565 1.00 2.14 H new ATOM 0 HG22 VAL A 585 -0.699 5.742 0.204 1.00 2.14 H new ATOM 0 HG23 VAL A 585 -0.576 6.862 -1.173 1.00 2.14 H new ATOM 386 N GLU A 586 0.272 3.418 -4.192 1.00 72.41 N ATOM 387 CA GLU A 586 0.235 2.346 -5.179 1.00 31.02 C ATOM 388 C GLU A 586 1.431 1.414 -5.014 1.00 23.53 C ATOM 389 O GLU A 586 1.344 0.219 -5.297 1.00 64.00 O ATOM 390 CB GLU A 586 0.217 2.925 -6.595 1.00 33.31 C ATOM 391 CG GLU A 586 1.571 2.894 -7.282 1.00 32.11 C ATOM 392 CD GLU A 586 1.611 3.750 -8.533 1.00 35.42 C ATOM 393 OE1 GLU A 586 0.530 4.051 -9.081 1.00 52.44 O ATOM 394 OE2 GLU A 586 2.724 4.119 -8.964 1.00 52.22 O ATOM 0 H GLU A 586 0.324 4.356 -4.590 1.00 72.41 H new ATOM 0 HA GLU A 586 -0.677 1.771 -5.019 1.00 31.02 H new ATOM 0 HB2 GLU A 586 -0.500 2.367 -7.198 1.00 33.31 H new ATOM 0 HB3 GLU A 586 -0.136 3.955 -6.553 1.00 33.31 H new ATOM 0 HG2 GLU A 586 2.335 3.239 -6.586 1.00 32.11 H new ATOM 0 HG3 GLU A 586 1.818 1.865 -7.543 1.00 32.11 H new ATOM 399 N ALA A 587 2.549 1.969 -4.556 1.00 1.11 N ATOM 400 CA ALA A 587 3.762 1.188 -4.352 1.00 35.11 C ATOM 401 C ALA A 587 3.618 0.251 -3.158 1.00 73.51 C ATOM 402 O ALA A 587 3.939 -0.935 -3.245 1.00 44.24 O ATOM 403 CB ALA A 587 4.958 2.110 -4.162 1.00 41.14 C ATOM 0 H ALA A 587 2.639 2.957 -4.319 1.00 1.11 H new ATOM 0 HA ALA A 587 3.925 0.578 -5.240 1.00 35.11 H new ATOM 0 HB1 ALA A 587 5.857 1.513 -4.011 1.00 41.14 H new ATOM 0 HB2 ALA A 587 5.081 2.733 -5.048 1.00 41.14 H new ATOM 0 HB3 ALA A 587 4.793 2.745 -3.291 1.00 41.14 H new ATOM 409 N LEU A 588 3.137 0.791 -2.044 1.00 71.01 N ATOM 410 CA LEU A 588 2.951 0.004 -0.830 1.00 33.25 C ATOM 411 C LEU A 588 2.093 -1.227 -1.105 1.00 31.51 C ATOM 412 O LEU A 588 2.497 -2.355 -0.824 1.00 60.51 O ATOM 413 CB LEU A 588 2.304 0.857 0.262 1.00 10.33 C ATOM 414 CG LEU A 588 2.662 0.490 1.702 1.00 31.15 C ATOM 415 CD1 LEU A 588 2.514 -1.007 1.924 1.00 30.21 C ATOM 416 CD2 LEU A 588 4.078 0.942 2.031 1.00 54.31 C ATOM 0 H LEU A 588 2.869 1.771 -1.956 1.00 71.01 H new ATOM 0 HA LEU A 588 3.932 -0.328 -0.489 1.00 33.25 H new ATOM 0 HB2 LEU A 588 2.581 1.898 0.094 1.00 10.33 H new ATOM 0 HB3 LEU A 588 1.222 0.794 0.151 1.00 10.33 H new ATOM 0 HG LEU A 588 1.972 1.006 2.370 1.00 31.15 H new ATOM 0 HD11 LEU A 588 2.773 -1.249 2.955 1.00 30.21 H new ATOM 0 HD12 LEU A 588 1.483 -1.303 1.730 1.00 30.21 H new ATOM 0 HD13 LEU A 588 3.179 -1.543 1.247 1.00 30.21 H new ATOM 0 HD21 LEU A 588 4.316 0.673 3.060 1.00 54.31 H new ATOM 0 HD22 LEU A 588 4.782 0.454 1.356 1.00 54.31 H new ATOM 0 HD23 LEU A 588 4.152 2.023 1.913 1.00 54.31 H new ATOM 427 N VAL A 589 0.906 -1.002 -1.660 1.00 32.44 N ATOM 428 CA VAL A 589 -0.008 -2.092 -1.977 1.00 0.35 C ATOM 429 C VAL A 589 0.599 -3.038 -3.008 1.00 61.22 C ATOM 430 O VAL A 589 0.555 -4.256 -2.849 1.00 3.53 O ATOM 431 CB VAL A 589 -1.351 -1.561 -2.513 1.00 30.53 C ATOM 432 CG1 VAL A 589 -1.123 -0.619 -3.686 1.00 21.41 C ATOM 433 CG2 VAL A 589 -2.258 -2.715 -2.914 1.00 55.22 C ATOM 0 H VAL A 589 0.555 -0.074 -1.899 1.00 32.44 H new ATOM 0 HA VAL A 589 -0.184 -2.636 -1.049 1.00 0.35 H new ATOM 0 HB VAL A 589 -1.844 -1.001 -1.718 1.00 30.53 H new ATOM 0 HG11 VAL A 589 -2.083 -0.254 -4.051 1.00 21.41 H new ATOM 0 HG12 VAL A 589 -0.513 0.225 -3.362 1.00 21.41 H new ATOM 0 HG13 VAL A 589 -0.609 -1.152 -4.486 1.00 21.41 H new ATOM 0 HG21 VAL A 589 -3.202 -2.322 -3.290 1.00 55.22 H new ATOM 0 HG22 VAL A 589 -1.774 -3.304 -3.693 1.00 55.22 H new ATOM 0 HG23 VAL A 589 -2.448 -3.347 -2.046 1.00 55.22 H new ATOM 443 N GLU A 590 1.168 -2.465 -4.065 1.00 64.42 N ATOM 444 CA GLU A 590 1.786 -3.258 -5.121 1.00 54.10 C ATOM 445 C GLU A 590 2.775 -4.264 -4.539 1.00 34.14 C ATOM 446 O GLU A 590 2.762 -5.442 -4.898 1.00 55.23 O ATOM 447 CB GLU A 590 2.498 -2.347 -6.123 1.00 62.12 C ATOM 448 CG GLU A 590 1.608 -1.886 -7.266 1.00 62.42 C ATOM 449 CD GLU A 590 2.280 -0.850 -8.146 1.00 55.33 C ATOM 450 OE1 GLU A 590 3.517 -0.704 -8.053 1.00 41.01 O ATOM 451 OE2 GLU A 590 1.569 -0.184 -8.928 1.00 31.12 O ATOM 0 H GLU A 590 1.213 -1.457 -4.212 1.00 64.42 H new ATOM 0 HA GLU A 590 0.998 -3.807 -5.636 1.00 54.10 H new ATOM 0 HB2 GLU A 590 2.882 -1.473 -5.597 1.00 62.12 H new ATOM 0 HB3 GLU A 590 3.358 -2.875 -6.534 1.00 62.12 H new ATOM 0 HG2 GLU A 590 1.328 -2.747 -7.873 1.00 62.42 H new ATOM 0 HG3 GLU A 590 0.687 -1.469 -6.859 1.00 62.42 H new ATOM 456 N ALA A 591 3.632 -3.790 -3.642 1.00 61.52 N ATOM 457 CA ALA A 591 4.627 -4.648 -3.010 1.00 73.54 C ATOM 458 C ALA A 591 3.973 -5.633 -2.048 1.00 40.14 C ATOM 459 O ALA A 591 4.419 -6.772 -1.911 1.00 62.34 O ATOM 460 CB ALA A 591 5.663 -3.804 -2.280 1.00 61.43 C ATOM 0 H ALA A 591 3.658 -2.817 -3.336 1.00 61.52 H new ATOM 0 HA ALA A 591 5.125 -5.221 -3.792 1.00 73.54 H new ATOM 0 HB1 ALA A 591 6.400 -4.457 -1.812 1.00 61.43 H new ATOM 0 HB2 ALA A 591 6.161 -3.144 -2.991 1.00 61.43 H new ATOM 0 HB3 ALA A 591 5.170 -3.206 -1.514 1.00 61.43 H new ATOM 466 N VAL A 592 2.911 -5.187 -1.383 1.00 11.12 N ATOM 467 CA VAL A 592 2.193 -6.030 -0.434 1.00 33.43 C ATOM 468 C VAL A 592 1.425 -7.133 -1.152 1.00 2.43 C ATOM 469 O VAL A 592 1.190 -8.204 -0.593 1.00 43.33 O ATOM 470 CB VAL A 592 1.212 -5.205 0.419 1.00 1.15 C ATOM 471 CG1 VAL A 592 0.116 -6.096 0.983 1.00 11.23 C ATOM 472 CG2 VAL A 592 1.952 -4.485 1.535 1.00 54.43 C ATOM 0 H VAL A 592 2.529 -4.247 -1.484 1.00 11.12 H new ATOM 0 HA VAL A 592 2.940 -6.479 0.220 1.00 33.43 H new ATOM 0 HB VAL A 592 0.745 -4.455 -0.219 1.00 1.15 H new ATOM 0 HG11 VAL A 592 -0.568 -5.496 1.583 1.00 11.23 H new ATOM 0 HG12 VAL A 592 -0.432 -6.561 0.164 1.00 11.23 H new ATOM 0 HG13 VAL A 592 0.562 -6.871 1.607 1.00 11.23 H new ATOM 0 HG21 VAL A 592 1.243 -3.907 2.128 1.00 54.43 H new ATOM 0 HG22 VAL A 592 2.448 -5.216 2.174 1.00 54.43 H new ATOM 0 HG23 VAL A 592 2.696 -3.815 1.105 1.00 54.43 H new ATOM 482 N GLU A 593 1.035 -6.864 -2.394 1.00 32.00 N ATOM 483 CA GLU A 593 0.291 -7.834 -3.188 1.00 3.53 C ATOM 484 C GLU A 593 1.211 -8.939 -3.699 1.00 22.42 C ATOM 485 O GLU A 593 0.810 -10.100 -3.799 1.00 34.43 O ATOM 486 CB GLU A 593 -0.396 -7.142 -4.367 1.00 5.34 C ATOM 487 CG GLU A 593 -1.894 -6.966 -4.179 1.00 34.24 C ATOM 488 CD GLU A 593 -2.692 -8.141 -4.711 1.00 31.14 C ATOM 489 OE1 GLU A 593 -2.225 -8.790 -5.671 1.00 52.34 O ATOM 490 OE2 GLU A 593 -3.783 -8.412 -4.167 1.00 63.41 O ATOM 0 H GLU A 593 1.222 -5.982 -2.872 1.00 32.00 H new ATOM 0 HA GLU A 593 -0.468 -8.284 -2.547 1.00 3.53 H new ATOM 0 HB2 GLU A 593 0.060 -6.164 -4.520 1.00 5.34 H new ATOM 0 HB3 GLU A 593 -0.217 -7.722 -5.272 1.00 5.34 H new ATOM 0 HG2 GLU A 593 -2.110 -6.835 -3.119 1.00 34.24 H new ATOM 0 HG3 GLU A 593 -2.215 -6.055 -4.684 1.00 34.24 H new ATOM 495 N HIS A 594 2.447 -8.570 -4.021 1.00 63.25 N ATOM 496 CA HIS A 594 3.426 -9.530 -4.521 1.00 13.32 C ATOM 497 C HIS A 594 4.141 -10.228 -3.369 1.00 53.22 C ATOM 498 O HIS A 594 4.267 -11.454 -3.354 1.00 15.31 O ATOM 499 CB HIS A 594 4.445 -8.828 -5.419 1.00 63.42 C ATOM 500 CG HIS A 594 3.824 -8.058 -6.543 1.00 40.32 C ATOM 501 ND1 HIS A 594 2.574 -8.343 -7.050 1.00 54.42 N ATOM 502 CD2 HIS A 594 4.287 -7.005 -7.258 1.00 3.52 C ATOM 503 CE1 HIS A 594 2.296 -7.501 -8.029 1.00 52.13 C ATOM 504 NE2 HIS A 594 3.318 -6.678 -8.175 1.00 30.44 N ATOM 0 H HIS A 594 2.794 -7.614 -3.945 1.00 63.25 H new ATOM 0 HA HIS A 594 2.896 -10.283 -5.104 1.00 13.32 H new ATOM 0 HB2 HIS A 594 5.044 -8.149 -4.812 1.00 63.42 H new ATOM 0 HB3 HIS A 594 5.126 -9.572 -5.832 1.00 63.42 H new ATOM 0 HD2 HIS A 594 5.240 -6.514 -7.131 1.00 3.52 H new ATOM 0 HE1 HIS A 594 1.387 -7.488 -8.611 1.00 52.13 H new ATOM 0 HE2 HIS A 594 3.378 -5.922 -8.858 1.00 30.44 H new ATOM 511 N LEU A 595 4.606 -9.442 -2.405 1.00 61.42 N ATOM 512 CA LEU A 595 5.310 -9.985 -1.248 1.00 63.41 C ATOM 513 C LEU A 595 4.324 -10.489 -0.199 1.00 60.34 C ATOM 514 O LEU A 595 4.651 -11.358 0.608 1.00 23.22 O ATOM 515 CB LEU A 595 6.224 -8.922 -0.636 1.00 52.22 C ATOM 516 CG LEU A 595 7.510 -8.619 -1.406 1.00 51.21 C ATOM 517 CD1 LEU A 595 8.279 -9.901 -1.687 1.00 44.41 C ATOM 518 CD2 LEU A 595 7.196 -7.888 -2.703 1.00 64.33 C ATOM 0 H LEU A 595 4.509 -8.427 -2.401 1.00 61.42 H new ATOM 0 HA LEU A 595 5.917 -10.826 -1.585 1.00 63.41 H new ATOM 0 HB2 LEU A 595 5.657 -7.997 -0.537 1.00 52.22 H new ATOM 0 HB3 LEU A 595 6.494 -9.239 0.371 1.00 52.22 H new ATOM 0 HG LEU A 595 8.135 -7.972 -0.790 1.00 51.21 H new ATOM 0 HD11 LEU A 595 9.191 -9.665 -2.236 1.00 44.41 H new ATOM 0 HD12 LEU A 595 8.537 -10.384 -0.745 1.00 44.41 H new ATOM 0 HD13 LEU A 595 7.661 -10.573 -2.282 1.00 44.41 H new ATOM 0 HD21 LEU A 595 8.123 -7.681 -3.237 1.00 64.33 H new ATOM 0 HD22 LEU A 595 6.550 -8.509 -3.324 1.00 64.33 H new ATOM 0 HD23 LEU A 595 6.689 -6.950 -2.478 1.00 64.33 H new ATOM 529 N GLY A 596 3.114 -9.938 -0.218 1.00 61.54 N ATOM 530 CA GLY A 596 2.099 -10.345 0.735 1.00 4.32 C ATOM 531 C GLY A 596 2.130 -9.518 2.006 1.00 22.04 C ATOM 532 O GLY A 596 2.422 -8.323 1.970 1.00 50.11 O ATOM 0 H GLY A 596 2.819 -9.217 -0.877 1.00 61.54 H new ATOM 0 HA2 GLY A 596 1.116 -10.258 0.273 1.00 4.32 H new ATOM 0 HA3 GLY A 596 2.241 -11.396 0.986 1.00 4.32 H new ATOM 536 N THR A 597 1.826 -10.156 3.132 1.00 74.12 N ATOM 537 CA THR A 597 1.818 -9.471 4.418 1.00 42.14 C ATOM 538 C THR A 597 2.767 -10.142 5.405 1.00 52.13 C ATOM 539 O THR A 597 2.561 -10.084 6.616 1.00 43.13 O ATOM 540 CB THR A 597 0.403 -9.436 5.027 1.00 65.23 C ATOM 541 OG1 THR A 597 -0.256 -10.689 4.808 1.00 75.15 O ATOM 542 CG2 THR A 597 -0.421 -8.311 4.419 1.00 61.34 C ATOM 0 H THR A 597 1.582 -11.145 3.179 1.00 74.12 H new ATOM 0 HA THR A 597 2.152 -8.450 4.234 1.00 42.14 H new ATOM 0 HB THR A 597 0.497 -9.258 6.098 1.00 65.23 H new ATOM 0 HG1 THR A 597 -1.154 -10.659 5.199 1.00 75.15 H new ATOM 0 HG21 THR A 597 -1.416 -8.307 4.865 1.00 61.34 H new ATOM 0 HG22 THR A 597 0.068 -7.356 4.613 1.00 61.34 H new ATOM 0 HG23 THR A 597 -0.506 -8.463 3.343 1.00 61.34 H new ATOM 550 N GLY A 598 3.808 -10.779 4.878 1.00 74.24 N ATOM 551 CA GLY A 598 4.774 -11.452 5.727 1.00 54.32 C ATOM 552 C GLY A 598 6.204 -11.107 5.363 1.00 34.21 C ATOM 553 O GLY A 598 7.146 -11.622 5.965 1.00 4.21 O ATOM 0 H GLY A 598 4.000 -10.841 3.878 1.00 74.24 H new ATOM 0 HA2 GLY A 598 4.591 -11.180 6.767 1.00 54.32 H new ATOM 0 HA3 GLY A 598 4.632 -12.530 5.650 1.00 54.32 H new ATOM 557 N ARG A 599 6.368 -10.235 4.374 1.00 74.54 N ATOM 558 CA ARG A 599 7.694 -9.824 3.929 1.00 61.34 C ATOM 559 C ARG A 599 7.812 -8.303 3.900 1.00 31.03 C ATOM 560 O ARG A 599 7.645 -7.678 2.852 1.00 5.34 O ATOM 561 CB ARG A 599 7.990 -10.397 2.542 1.00 11.14 C ATOM 562 CG ARG A 599 8.423 -11.853 2.563 1.00 62.42 C ATOM 563 CD ARG A 599 8.871 -12.322 1.187 1.00 45.03 C ATOM 564 NE ARG A 599 7.750 -12.794 0.378 1.00 62.25 N ATOM 565 CZ ARG A 599 7.213 -14.002 0.502 1.00 21.25 C ATOM 566 NH1 ARG A 599 7.692 -14.857 1.395 1.00 11.41 N ATOM 567 NH2 ARG A 599 6.195 -14.359 -0.271 1.00 53.13 N ATOM 0 H ARG A 599 5.599 -9.799 3.865 1.00 74.54 H new ATOM 0 HA ARG A 599 8.424 -10.213 4.638 1.00 61.34 H new ATOM 0 HB2 ARG A 599 7.099 -10.301 1.921 1.00 11.14 H new ATOM 0 HB3 ARG A 599 8.772 -9.801 2.072 1.00 11.14 H new ATOM 0 HG2 ARG A 599 9.238 -11.981 3.275 1.00 62.42 H new ATOM 0 HG3 ARG A 599 7.597 -12.474 2.909 1.00 62.42 H new ATOM 0 HD2 ARG A 599 9.372 -11.503 0.670 1.00 45.03 H new ATOM 0 HD3 ARG A 599 9.601 -13.124 1.297 1.00 45.03 H new ATOM 0 HE ARG A 599 7.359 -12.161 -0.320 1.00 62.25 H new ATOM 0 HH11 ARG A 599 8.476 -14.588 1.990 1.00 11.41 H new ATOM 0 HH12 ARG A 599 7.277 -15.784 1.487 1.00 11.41 H new ATOM 0 HH21 ARG A 599 5.825 -13.705 -0.961 1.00 53.13 H new ATOM 0 HH22 ARG A 599 5.783 -15.287 -0.175 1.00 53.13 H new ATOM 578 N TRP A 600 8.099 -7.715 5.054 1.00 64.24 N ATOM 579 CA TRP A 600 8.238 -6.267 5.161 1.00 73.22 C ATOM 580 C TRP A 600 9.493 -5.786 4.440 1.00 43.50 C ATOM 581 O TRP A 600 9.437 -4.863 3.627 1.00 74.15 O ATOM 582 CB TRP A 600 8.285 -5.845 6.630 1.00 71.41 C ATOM 583 CG TRP A 600 7.198 -6.455 7.459 1.00 1.44 C ATOM 584 CD1 TRP A 600 5.930 -6.763 7.051 1.00 74.31 C ATOM 585 CD2 TRP A 600 7.279 -6.832 8.838 1.00 71.32 C ATOM 586 NE1 TRP A 600 5.220 -7.307 8.094 1.00 54.43 N ATOM 587 CE2 TRP A 600 6.024 -7.361 9.201 1.00 33.42 C ATOM 588 CE3 TRP A 600 8.290 -6.775 9.801 1.00 3.32 C ATOM 589 CZ2 TRP A 600 5.757 -7.828 10.485 1.00 10.11 C ATOM 590 CZ3 TRP A 600 8.022 -7.239 11.075 1.00 31.20 C ATOM 591 CH2 TRP A 600 6.765 -7.761 11.407 1.00 43.21 C ATOM 0 H TRP A 600 8.240 -8.218 5.930 1.00 64.24 H new ATOM 0 HA TRP A 600 7.371 -5.808 4.687 1.00 73.22 H new ATOM 0 HB2 TRP A 600 9.252 -6.124 7.050 1.00 71.41 H new ATOM 0 HB3 TRP A 600 8.212 -4.759 6.691 1.00 71.41 H new ATOM 0 HD1 TRP A 600 5.543 -6.602 6.055 1.00 74.31 H new ATOM 0 HE1 TRP A 600 4.250 -7.620 8.051 1.00 54.43 H new ATOM 0 HE3 TRP A 600 9.263 -6.376 9.554 1.00 3.32 H new ATOM 0 HZ2 TRP A 600 4.788 -8.229 10.744 1.00 10.11 H new ATOM 0 HZ3 TRP A 600 8.795 -7.198 11.828 1.00 31.20 H new ATOM 0 HH2 TRP A 600 6.588 -8.118 12.411 1.00 43.21 H new ATOM 601 N ARG A 601 10.622 -6.417 4.742 1.00 24.25 N ATOM 602 CA ARG A 601 11.891 -6.052 4.123 1.00 24.25 C ATOM 603 C ARG A 601 11.777 -6.066 2.602 1.00 32.30 C ATOM 604 O ARG A 601 12.199 -5.125 1.929 1.00 75.02 O ATOM 605 CB ARG A 601 12.996 -7.011 4.571 1.00 21.05 C ATOM 606 CG ARG A 601 12.645 -8.477 4.379 1.00 72.13 C ATOM 607 CD ARG A 601 13.582 -9.382 5.163 1.00 52.20 C ATOM 608 NE ARG A 601 13.069 -10.745 5.264 1.00 25.21 N ATOM 609 CZ ARG A 601 13.473 -11.616 6.184 1.00 12.32 C ATOM 610 NH1 ARG A 601 14.389 -11.267 7.075 1.00 72.13 N ATOM 611 NH2 ARG A 601 12.959 -12.839 6.211 1.00 42.23 N ATOM 0 H ARG A 601 10.685 -7.184 5.412 1.00 24.25 H new ATOM 0 HA ARG A 601 12.145 -5.041 4.442 1.00 24.25 H new ATOM 0 HB2 ARG A 601 13.906 -6.788 4.014 1.00 21.05 H new ATOM 0 HB3 ARG A 601 13.215 -6.833 5.624 1.00 21.05 H new ATOM 0 HG2 ARG A 601 11.618 -8.651 4.699 1.00 72.13 H new ATOM 0 HG3 ARG A 601 12.696 -8.729 3.320 1.00 72.13 H new ATOM 0 HD2 ARG A 601 14.559 -9.397 4.680 1.00 52.20 H new ATOM 0 HD3 ARG A 601 13.727 -8.974 6.163 1.00 52.20 H new ATOM 0 HE ARG A 601 12.362 -11.045 4.593 1.00 25.21 H new ATOM 0 HH11 ARG A 601 14.787 -10.328 7.057 1.00 72.13 H new ATOM 0 HH12 ARG A 601 14.697 -11.937 7.779 1.00 72.13 H new ATOM 0 HH21 ARG A 601 12.254 -13.111 5.526 1.00 42.23 H new ATOM 0 HH22 ARG A 601 13.269 -13.507 6.917 1.00 42.23 H new ATOM 622 N ASP A 602 11.205 -7.138 2.066 1.00 2.42 N ATOM 623 CA ASP A 602 11.035 -7.274 0.625 1.00 31.35 C ATOM 624 C ASP A 602 10.145 -6.163 0.075 1.00 23.35 C ATOM 625 O ASP A 602 10.372 -5.659 -1.025 1.00 22.44 O ATOM 626 CB ASP A 602 10.433 -8.640 0.287 1.00 21.45 C ATOM 627 CG ASP A 602 11.161 -9.779 0.975 1.00 55.30 C ATOM 628 OD1 ASP A 602 11.069 -9.878 2.216 1.00 11.41 O ATOM 629 OD2 ASP A 602 11.821 -10.571 0.271 1.00 55.03 O ATOM 0 H ASP A 602 10.851 -7.926 2.608 1.00 2.42 H new ATOM 0 HA ASP A 602 12.017 -7.193 0.159 1.00 31.35 H new ATOM 0 HB2 ASP A 602 9.383 -8.654 0.580 1.00 21.45 H new ATOM 0 HB3 ASP A 602 10.465 -8.791 -0.792 1.00 21.45 H new ATOM 633 N VAL A 603 9.132 -5.787 0.847 1.00 1.11 N ATOM 634 CA VAL A 603 8.208 -4.736 0.438 1.00 72.30 C ATOM 635 C VAL A 603 8.931 -3.403 0.273 1.00 51.44 C ATOM 636 O VAL A 603 8.557 -2.581 -0.564 1.00 21.01 O ATOM 637 CB VAL A 603 7.065 -4.565 1.456 1.00 21.40 C ATOM 638 CG1 VAL A 603 6.349 -3.241 1.238 1.00 44.34 C ATOM 639 CG2 VAL A 603 6.092 -5.730 1.363 1.00 44.54 C ATOM 0 H VAL A 603 8.930 -6.194 1.760 1.00 1.11 H new ATOM 0 HA VAL A 603 7.787 -5.040 -0.521 1.00 72.30 H new ATOM 0 HB VAL A 603 7.492 -4.557 2.459 1.00 21.40 H new ATOM 0 HG11 VAL A 603 5.545 -3.138 1.966 1.00 44.34 H new ATOM 0 HG12 VAL A 603 7.056 -2.421 1.360 1.00 44.34 H new ATOM 0 HG13 VAL A 603 5.932 -3.214 0.231 1.00 44.34 H new ATOM 0 HG21 VAL A 603 5.291 -5.594 2.089 1.00 44.54 H new ATOM 0 HG22 VAL A 603 5.669 -5.772 0.359 1.00 44.54 H new ATOM 0 HG23 VAL A 603 6.618 -6.661 1.574 1.00 44.54 H new ATOM 649 N LYS A 604 9.968 -3.195 1.077 1.00 44.21 N ATOM 650 CA LYS A 604 10.746 -1.963 1.021 1.00 12.51 C ATOM 651 C LYS A 604 11.563 -1.895 -0.265 1.00 53.31 C ATOM 652 O LYS A 604 11.579 -0.870 -0.947 1.00 14.32 O ATOM 653 CB LYS A 604 11.673 -1.865 2.233 1.00 22.42 C ATOM 654 CG LYS A 604 12.501 -0.592 2.265 1.00 0.13 C ATOM 655 CD LYS A 604 13.899 -0.849 2.799 1.00 64.35 C ATOM 656 CE LYS A 604 14.732 -1.659 1.818 1.00 44.00 C ATOM 657 NZ LYS A 604 14.987 -3.040 2.314 1.00 51.30 N ATOM 0 H LYS A 604 10.290 -3.865 1.776 1.00 44.21 H new ATOM 0 HA LYS A 604 10.052 -1.123 1.035 1.00 12.51 H new ATOM 0 HB2 LYS A 604 11.075 -1.922 3.143 1.00 22.42 H new ATOM 0 HB3 LYS A 604 12.343 -2.725 2.237 1.00 22.42 H new ATOM 0 HG2 LYS A 604 12.566 -0.174 1.261 1.00 0.13 H new ATOM 0 HG3 LYS A 604 12.003 0.151 2.888 1.00 0.13 H new ATOM 0 HD2 LYS A 604 14.393 0.102 2.999 1.00 64.35 H new ATOM 0 HD3 LYS A 604 13.835 -1.381 3.748 1.00 64.35 H new ATOM 0 HE2 LYS A 604 14.218 -1.707 0.858 1.00 44.00 H new ATOM 0 HE3 LYS A 604 15.682 -1.154 1.645 1.00 44.00 H new ATOM 0 HZ1 LYS A 604 15.914 -3.365 1.974 1.00 51.30 H new ATOM 0 HZ2 LYS A 604 14.980 -3.042 3.354 1.00 51.30 H new ATOM 0 HZ3 LYS A 604 14.245 -3.678 1.961 1.00 51.30 H new ATOM 667 N MET A 605 12.239 -2.992 -0.591 1.00 71.05 N ATOM 668 CA MET A 605 13.056 -3.055 -1.797 1.00 25.20 C ATOM 669 C MET A 605 12.182 -3.063 -3.046 1.00 11.22 C ATOM 670 O MET A 605 12.579 -2.558 -4.096 1.00 34.22 O ATOM 671 CB MET A 605 13.944 -4.302 -1.772 1.00 1.31 C ATOM 672 CG MET A 605 15.166 -4.161 -0.880 1.00 51.21 C ATOM 673 SD MET A 605 16.661 -3.766 -1.806 1.00 34.33 S ATOM 674 CE MET A 605 16.735 -1.990 -1.590 1.00 54.42 C ATOM 0 H MET A 605 12.237 -3.849 -0.037 1.00 71.05 H new ATOM 0 HA MET A 605 13.689 -2.168 -1.825 1.00 25.20 H new ATOM 0 HB2 MET A 605 13.353 -5.152 -1.432 1.00 1.31 H new ATOM 0 HB3 MET A 605 14.270 -4.526 -2.788 1.00 1.31 H new ATOM 0 HG2 MET A 605 14.984 -3.380 -0.142 1.00 51.21 H new ATOM 0 HG3 MET A 605 15.319 -5.090 -0.330 1.00 51.21 H new ATOM 0 HE1 MET A 605 17.680 -1.615 -1.984 1.00 54.42 H new ATOM 0 HE2 MET A 605 15.908 -1.524 -2.125 1.00 54.42 H new ATOM 0 HE3 MET A 605 16.663 -1.749 -0.529 1.00 54.42 H new ATOM 682 N ARG A 606 10.991 -3.641 -2.926 1.00 72.35 N ATOM 683 CA ARG A 606 10.062 -3.716 -4.046 1.00 31.34 C ATOM 684 C ARG A 606 9.339 -2.387 -4.244 1.00 41.03 C ATOM 685 O ARG A 606 9.135 -1.941 -5.372 1.00 30.25 O ATOM 686 CB ARG A 606 9.043 -4.834 -3.818 1.00 62.11 C ATOM 687 CG ARG A 606 7.828 -4.746 -4.727 1.00 34.15 C ATOM 688 CD ARG A 606 8.226 -4.797 -6.194 1.00 1.13 C ATOM 689 NE ARG A 606 8.853 -6.068 -6.547 1.00 2.32 N ATOM 690 CZ ARG A 606 9.160 -6.416 -7.792 1.00 73.20 C ATOM 691 NH1 ARG A 606 8.900 -5.591 -8.797 1.00 62.31 N ATOM 692 NH2 ARG A 606 9.729 -7.590 -8.033 1.00 34.45 N ATOM 0 H ARG A 606 10.647 -4.064 -2.064 1.00 72.35 H new ATOM 0 HA ARG A 606 10.636 -3.935 -4.946 1.00 31.34 H new ATOM 0 HB2 ARG A 606 9.532 -5.796 -3.971 1.00 62.11 H new ATOM 0 HB3 ARG A 606 8.712 -4.806 -2.780 1.00 62.11 H new ATOM 0 HG2 ARG A 606 7.146 -5.567 -4.505 1.00 34.15 H new ATOM 0 HG3 ARG A 606 7.289 -3.820 -4.527 1.00 34.15 H new ATOM 0 HD2 ARG A 606 7.343 -4.644 -6.815 1.00 1.13 H new ATOM 0 HD3 ARG A 606 8.914 -3.980 -6.411 1.00 1.13 H new ATOM 0 HE ARG A 606 9.067 -6.725 -5.796 1.00 2.32 H new ATOM 0 HH11 ARG A 606 8.464 -4.687 -8.615 1.00 62.31 H new ATOM 0 HH12 ARG A 606 9.137 -5.860 -9.752 1.00 62.31 H new ATOM 0 HH21 ARG A 606 9.931 -8.227 -7.262 1.00 34.45 H new ATOM 0 HH22 ARG A 606 9.964 -7.856 -8.989 1.00 34.45 H new ATOM 703 N ALA A 607 8.954 -1.759 -3.138 1.00 41.02 N ATOM 704 CA ALA A 607 8.256 -0.480 -3.188 1.00 3.02 C ATOM 705 C ALA A 607 9.230 0.668 -3.425 1.00 33.15 C ATOM 706 O ALA A 607 9.188 1.328 -4.465 1.00 42.41 O ATOM 707 CB ALA A 607 7.474 -0.255 -1.903 1.00 71.22 C ATOM 0 H ALA A 607 9.114 -2.115 -2.196 1.00 41.02 H new ATOM 0 HA ALA A 607 7.558 -0.508 -4.025 1.00 3.02 H new ATOM 0 HB1 ALA A 607 6.958 0.704 -1.954 1.00 71.22 H new ATOM 0 HB2 ALA A 607 6.743 -1.054 -1.777 1.00 71.22 H new ATOM 0 HB3 ALA A 607 8.159 -0.253 -1.056 1.00 71.22 H new ATOM 713 N PHE A 608 10.108 0.904 -2.456 1.00 51.53 N ATOM 714 CA PHE A 608 11.092 1.975 -2.559 1.00 72.11 C ATOM 715 C PHE A 608 12.163 1.632 -3.591 1.00 22.21 C ATOM 716 O PHE A 608 12.808 0.586 -3.508 1.00 73.54 O ATOM 717 CB PHE A 608 11.743 2.231 -1.198 1.00 1.42 C ATOM 718 CG PHE A 608 10.771 2.672 -0.142 1.00 13.45 C ATOM 719 CD1 PHE A 608 9.968 1.749 0.508 1.00 44.03 C ATOM 720 CD2 PHE A 608 10.658 4.010 0.200 1.00 35.31 C ATOM 721 CE1 PHE A 608 9.072 2.152 1.482 1.00 31.35 C ATOM 722 CE2 PHE A 608 9.764 4.419 1.171 1.00 62.11 C ATOM 723 CZ PHE A 608 8.969 3.489 1.812 1.00 31.32 C ATOM 0 H PHE A 608 10.158 0.368 -1.590 1.00 51.53 H new ATOM 0 HA PHE A 608 10.576 2.879 -2.883 1.00 72.11 H new ATOM 0 HB2 PHE A 608 12.240 1.320 -0.865 1.00 1.42 H new ATOM 0 HB3 PHE A 608 12.515 2.992 -1.311 1.00 1.42 H new ATOM 0 HD1 PHE A 608 10.042 0.703 0.251 1.00 44.03 H new ATOM 0 HD2 PHE A 608 11.276 4.742 -0.298 1.00 35.31 H new ATOM 0 HE1 PHE A 608 8.454 1.422 1.984 1.00 31.35 H new ATOM 0 HE2 PHE A 608 9.687 5.465 1.429 1.00 62.11 H new ATOM 0 HZ PHE A 608 8.268 3.807 2.570 1.00 31.32 H new ATOM 828 N TYR A 616 10.873 -0.866 8.073 1.00 61.12 N ATOM 829 CA TYR A 616 9.825 -1.871 8.204 1.00 22.33 C ATOM 830 C TYR A 616 8.543 -1.254 8.755 1.00 25.24 C ATOM 831 O TYR A 616 7.442 -1.581 8.312 1.00 21.32 O ATOM 832 CB TYR A 616 10.291 -3.008 9.116 1.00 14.45 C ATOM 833 CG TYR A 616 10.894 -2.531 10.417 1.00 12.21 C ATOM 834 CD1 TYR A 616 12.253 -2.258 10.517 1.00 21.23 C ATOM 835 CD2 TYR A 616 10.106 -2.354 11.547 1.00 42.32 C ATOM 836 CE1 TYR A 616 12.809 -1.824 11.705 1.00 73.30 C ATOM 837 CE2 TYR A 616 10.653 -1.918 12.739 1.00 13.22 C ATOM 838 CZ TYR A 616 12.005 -1.654 12.812 1.00 73.04 C ATOM 839 OH TYR A 616 12.554 -1.220 13.998 1.00 30.24 O ATOM 0 HA TYR A 616 9.616 -2.272 7.212 1.00 22.33 H new ATOM 0 HB2 TYR A 616 9.444 -3.658 9.335 1.00 14.45 H new ATOM 0 HB3 TYR A 616 11.026 -3.611 8.584 1.00 14.45 H new ATOM 0 HD1 TYR A 616 12.885 -2.387 9.651 1.00 21.23 H new ATOM 0 HD2 TYR A 616 9.047 -2.561 11.493 1.00 42.32 H new ATOM 0 HE1 TYR A 616 13.868 -1.619 11.766 1.00 73.30 H new ATOM 0 HE2 TYR A 616 10.026 -1.785 13.608 1.00 13.22 H new ATOM 0 HH TYR A 616 11.852 -1.152 14.678 1.00 30.24 H new ATOM 848 N VAL A 617 8.696 -0.359 9.725 1.00 4.54 N ATOM 849 CA VAL A 617 7.552 0.307 10.338 1.00 11.14 C ATOM 850 C VAL A 617 6.887 1.269 9.360 1.00 22.45 C ATOM 851 O VAL A 617 5.670 1.448 9.380 1.00 53.52 O ATOM 852 CB VAL A 617 7.964 1.081 11.603 1.00 70.50 C ATOM 853 CG1 VAL A 617 8.990 2.152 11.263 1.00 14.13 C ATOM 854 CG2 VAL A 617 6.745 1.694 12.273 1.00 41.34 C ATOM 0 H VAL A 617 9.600 -0.078 10.104 1.00 4.54 H new ATOM 0 HA VAL A 617 6.843 -0.473 10.614 1.00 11.14 H new ATOM 0 HB VAL A 617 8.422 0.382 12.303 1.00 70.50 H new ATOM 0 HG11 VAL A 617 9.269 2.689 12.169 1.00 14.13 H new ATOM 0 HG12 VAL A 617 9.875 1.684 10.831 1.00 14.13 H new ATOM 0 HG13 VAL A 617 8.562 2.851 10.545 1.00 14.13 H new ATOM 0 HG21 VAL A 617 7.055 2.237 13.166 1.00 41.34 H new ATOM 0 HG22 VAL A 617 6.257 2.381 11.582 1.00 41.34 H new ATOM 0 HG23 VAL A 617 6.048 0.904 12.553 1.00 41.34 H new ATOM 864 N ASP A 618 7.696 1.885 8.504 1.00 53.31 N ATOM 865 CA ASP A 618 7.187 2.829 7.515 1.00 52.25 C ATOM 866 C ASP A 618 6.109 2.182 6.652 1.00 35.04 C ATOM 867 O ASP A 618 5.016 2.728 6.491 1.00 65.31 O ATOM 868 CB ASP A 618 8.327 3.340 6.633 1.00 53.43 C ATOM 869 CG ASP A 618 8.631 4.806 6.873 1.00 10.22 C ATOM 870 OD1 ASP A 618 7.974 5.660 6.240 1.00 71.34 O ATOM 871 OD2 ASP A 618 9.526 5.100 7.693 1.00 12.31 O ATOM 0 H ASP A 618 8.706 1.748 8.475 1.00 53.31 H new ATOM 0 HA ASP A 618 6.744 3.672 8.046 1.00 52.25 H new ATOM 0 HB2 ASP A 618 9.223 2.750 6.824 1.00 53.43 H new ATOM 0 HB3 ASP A 618 8.066 3.193 5.585 1.00 53.43 H new ATOM 875 N LEU A 619 6.423 1.018 6.095 1.00 25.00 N ATOM 876 CA LEU A 619 5.482 0.296 5.246 1.00 34.20 C ATOM 877 C LEU A 619 4.402 -0.381 6.084 1.00 30.12 C ATOM 878 O LEU A 619 3.321 -0.697 5.585 1.00 52.44 O ATOM 879 CB LEU A 619 6.219 -0.747 4.405 1.00 35.30 C ATOM 880 CG LEU A 619 7.050 -1.770 5.180 1.00 73.40 C ATOM 881 CD1 LEU A 619 6.171 -2.905 5.678 1.00 13.11 C ATOM 882 CD2 LEU A 619 8.179 -2.308 4.312 1.00 72.04 C ATOM 0 H LEU A 619 7.323 0.553 6.216 1.00 25.00 H new ATOM 0 HA LEU A 619 5.004 1.016 4.582 1.00 34.20 H new ATOM 0 HB2 LEU A 619 5.485 -1.285 3.805 1.00 35.30 H new ATOM 0 HB3 LEU A 619 6.878 -0.225 3.711 1.00 35.30 H new ATOM 0 HG LEU A 619 7.489 -1.272 6.045 1.00 73.40 H new ATOM 0 HD11 LEU A 619 6.780 -3.623 6.227 1.00 13.11 H new ATOM 0 HD12 LEU A 619 5.399 -2.506 6.336 1.00 13.11 H new ATOM 0 HD13 LEU A 619 5.702 -3.402 4.829 1.00 13.11 H new ATOM 0 HD21 LEU A 619 8.760 -3.035 4.880 1.00 72.04 H new ATOM 0 HD22 LEU A 619 7.761 -2.789 3.428 1.00 72.04 H new ATOM 0 HD23 LEU A 619 8.826 -1.486 4.006 1.00 72.04 H new ATOM 893 N LYS A 620 4.700 -0.601 7.359 1.00 73.11 N ATOM 894 CA LYS A 620 3.755 -1.238 8.268 1.00 72.11 C ATOM 895 C LYS A 620 2.639 -0.272 8.656 1.00 64.21 C ATOM 896 O LYS A 620 1.474 -0.660 8.749 1.00 24.02 O ATOM 897 CB LYS A 620 4.476 -1.731 9.524 1.00 62.34 C ATOM 898 CG LYS A 620 3.633 -2.651 10.389 1.00 3.23 C ATOM 899 CD LYS A 620 4.199 -2.772 11.794 1.00 1.34 C ATOM 900 CE LYS A 620 5.304 -3.817 11.861 1.00 53.02 C ATOM 901 NZ LYS A 620 4.756 -5.200 11.929 1.00 60.21 N ATOM 0 H LYS A 620 5.590 -0.347 7.787 1.00 73.11 H new ATOM 0 HA LYS A 620 3.312 -2.091 7.753 1.00 72.11 H new ATOM 0 HB2 LYS A 620 5.384 -2.256 9.229 1.00 62.34 H new ATOM 0 HB3 LYS A 620 4.784 -0.870 10.117 1.00 62.34 H new ATOM 0 HG2 LYS A 620 2.613 -2.271 10.439 1.00 3.23 H new ATOM 0 HG3 LYS A 620 3.583 -3.638 9.930 1.00 3.23 H new ATOM 0 HD2 LYS A 620 4.590 -1.806 12.115 1.00 1.34 H new ATOM 0 HD3 LYS A 620 3.401 -3.039 12.487 1.00 1.34 H new ATOM 0 HE2 LYS A 620 5.946 -3.723 10.985 1.00 53.02 H new ATOM 0 HE3 LYS A 620 5.928 -3.630 12.735 1.00 53.02 H new ATOM 0 HZ1 LYS A 620 5.438 -5.865 11.510 1.00 60.21 H new ATOM 0 HZ2 LYS A 620 4.586 -5.458 12.922 1.00 60.21 H new ATOM 0 HZ3 LYS A 620 3.861 -5.245 11.402 1.00 60.21 H new ATOM 911 N ASP A 621 3.002 0.986 8.880 1.00 23.53 N ATOM 912 CA ASP A 621 2.031 2.006 9.255 1.00 41.31 C ATOM 913 C ASP A 621 1.134 2.363 8.074 1.00 3.50 C ATOM 914 O ASP A 621 -0.087 2.456 8.213 1.00 63.52 O ATOM 915 CB ASP A 621 2.746 3.258 9.764 1.00 64.15 C ATOM 916 CG ASP A 621 1.781 4.368 10.130 1.00 53.32 C ATOM 917 OD1 ASP A 621 0.564 4.099 10.193 1.00 0.30 O ATOM 918 OD2 ASP A 621 2.243 5.508 10.352 1.00 35.01 O ATOM 0 H ASP A 621 3.962 1.324 8.808 1.00 23.53 H new ATOM 0 HA ASP A 621 1.408 1.603 10.053 1.00 41.31 H new ATOM 0 HB2 ASP A 621 3.346 3.000 10.636 1.00 64.15 H new ATOM 0 HB3 ASP A 621 3.434 3.617 8.998 1.00 64.15 H new ATOM 922 N LYS A 622 1.746 2.564 6.912 1.00 22.35 N ATOM 923 CA LYS A 622 1.004 2.910 5.706 1.00 22.13 C ATOM 924 C LYS A 622 0.054 1.784 5.308 1.00 24.30 C ATOM 925 O LYS A 622 -1.031 2.031 4.785 1.00 50.21 O ATOM 926 CB LYS A 622 1.969 3.206 4.556 1.00 34.52 C ATOM 927 CG LYS A 622 1.285 3.348 3.208 1.00 0.24 C ATOM 928 CD LYS A 622 0.334 4.533 3.186 1.00 23.02 C ATOM 929 CE LYS A 622 -0.947 4.207 2.433 1.00 23.35 C ATOM 930 NZ LYS A 622 -2.140 4.822 3.076 1.00 34.40 N ATOM 0 H LYS A 622 2.755 2.493 6.780 1.00 22.35 H new ATOM 0 HA LYS A 622 0.414 3.802 5.917 1.00 22.13 H new ATOM 0 HB2 LYS A 622 2.512 4.125 4.777 1.00 34.52 H new ATOM 0 HB3 LYS A 622 2.707 2.406 4.497 1.00 34.52 H new ATOM 0 HG2 LYS A 622 2.037 3.470 2.429 1.00 0.24 H new ATOM 0 HG3 LYS A 622 0.735 2.435 2.980 1.00 0.24 H new ATOM 0 HD2 LYS A 622 0.092 4.825 4.208 1.00 23.02 H new ATOM 0 HD3 LYS A 622 0.825 5.386 2.718 1.00 23.02 H new ATOM 0 HE2 LYS A 622 -0.865 4.562 1.406 1.00 23.35 H new ATOM 0 HE3 LYS A 622 -1.076 3.126 2.387 1.00 23.35 H new ATOM 0 HZ1 LYS A 622 -2.808 4.075 3.355 1.00 34.40 H new ATOM 0 HZ2 LYS A 622 -1.844 5.355 3.919 1.00 34.40 H new ATOM 0 HZ3 LYS A 622 -2.603 5.467 2.404 1.00 34.40 H new ATOM 940 N TRP A 623 0.471 0.548 5.561 1.00 63.55 N ATOM 941 CA TRP A 623 -0.344 -0.616 5.231 1.00 71.14 C ATOM 942 C TRP A 623 -1.607 -0.656 6.086 1.00 22.52 C ATOM 943 O TRP A 623 -2.703 -0.898 5.580 1.00 73.34 O ATOM 944 CB TRP A 623 0.462 -1.900 5.428 1.00 44.01 C ATOM 945 CG TRP A 623 -0.356 -3.040 5.956 1.00 50.43 C ATOM 946 CD1 TRP A 623 -1.439 -3.618 5.358 1.00 1.23 C ATOM 947 CD2 TRP A 623 -0.159 -3.736 7.192 1.00 32.45 C ATOM 948 NE1 TRP A 623 -1.927 -4.632 6.146 1.00 71.52 N ATOM 949 CE2 TRP A 623 -1.158 -4.726 7.276 1.00 0.01 C ATOM 950 CE3 TRP A 623 0.766 -3.622 8.234 1.00 14.22 C ATOM 951 CZ2 TRP A 623 -1.257 -5.592 8.361 1.00 21.12 C ATOM 952 CZ3 TRP A 623 0.666 -4.483 9.310 1.00 53.24 C ATOM 953 CH2 TRP A 623 -0.339 -5.458 9.367 1.00 11.14 C ATOM 0 H TRP A 623 1.368 0.326 5.993 1.00 63.55 H new ATOM 0 HA TRP A 623 -0.639 -0.538 4.185 1.00 71.14 H new ATOM 0 HB2 TRP A 623 0.906 -2.191 4.476 1.00 44.01 H new ATOM 0 HB3 TRP A 623 1.284 -1.703 6.116 1.00 44.01 H new ATOM 0 HD1 TRP A 623 -1.852 -3.321 4.405 1.00 1.23 H new ATOM 0 HE1 TRP A 623 -2.731 -5.219 5.926 1.00 71.52 H new ATOM 0 HE3 TRP A 623 1.545 -2.874 8.199 1.00 14.22 H new ATOM 0 HZ2 TRP A 623 -2.031 -6.344 8.407 1.00 21.12 H new ATOM 0 HZ3 TRP A 623 1.375 -4.403 10.121 1.00 53.24 H new ATOM 0 HH2 TRP A 623 -0.390 -6.116 10.222 1.00 11.14 H new ATOM 963 N LYS A 624 -1.446 -0.418 7.383 1.00 62.41 N ATOM 964 CA LYS A 624 -2.572 -0.426 8.308 1.00 41.43 C ATOM 965 C LYS A 624 -3.654 0.551 7.857 1.00 24.12 C ATOM 966 O LYS A 624 -4.816 0.176 7.696 1.00 60.40 O ATOM 967 CB LYS A 624 -2.102 -0.067 9.720 1.00 0.34 C ATOM 968 CG LYS A 624 -3.002 -0.609 10.816 1.00 51.44 C ATOM 969 CD LYS A 624 -3.061 0.334 12.006 1.00 64.23 C ATOM 970 CE LYS A 624 -3.673 -0.342 13.224 1.00 10.13 C ATOM 971 NZ LYS A 624 -2.906 -0.049 14.466 1.00 41.23 N ATOM 0 H LYS A 624 -0.545 -0.217 7.817 1.00 62.41 H new ATOM 0 HA LYS A 624 -2.995 -1.431 8.317 1.00 41.43 H new ATOM 0 HB2 LYS A 624 -1.093 -0.452 9.867 1.00 0.34 H new ATOM 0 HB3 LYS A 624 -2.046 1.018 9.811 1.00 0.34 H new ATOM 0 HG2 LYS A 624 -4.006 -0.761 10.421 1.00 51.44 H new ATOM 0 HG3 LYS A 624 -2.636 -1.583 11.140 1.00 51.44 H new ATOM 0 HD2 LYS A 624 -2.056 0.680 12.247 1.00 64.23 H new ATOM 0 HD3 LYS A 624 -3.647 1.215 11.745 1.00 64.23 H new ATOM 0 HE2 LYS A 624 -4.703 -0.007 13.346 1.00 10.13 H new ATOM 0 HE3 LYS A 624 -3.705 -1.420 13.063 1.00 10.13 H new ATOM 0 HZ1 LYS A 624 -3.355 -0.528 15.273 1.00 41.23 H new ATOM 0 HZ2 LYS A 624 -1.930 -0.392 14.360 1.00 41.23 H new ATOM 0 HZ3 LYS A 624 -2.896 0.977 14.634 1.00 41.23 H new ATOM 981 N THR A 625 -3.264 1.804 7.652 1.00 50.24 N ATOM 982 CA THR A 625 -4.199 2.835 7.218 1.00 43.32 C ATOM 983 C THR A 625 -4.792 2.501 5.854 1.00 2.03 C ATOM 984 O THR A 625 -5.953 2.805 5.578 1.00 52.24 O ATOM 985 CB THR A 625 -3.522 4.216 7.147 1.00 25.55 C ATOM 986 OG1 THR A 625 -4.427 5.178 6.595 1.00 74.32 O ATOM 987 CG2 THR A 625 -2.259 4.155 6.300 1.00 62.31 C ATOM 0 H THR A 625 -2.306 2.130 7.779 1.00 50.24 H new ATOM 0 HA THR A 625 -4.997 2.869 7.960 1.00 43.32 H new ATOM 0 HB THR A 625 -3.249 4.515 8.159 1.00 25.55 H new ATOM 0 HG1 THR A 625 -3.989 6.054 6.555 1.00 74.32 H new ATOM 0 HG21 THR A 625 -1.797 5.142 6.264 1.00 62.31 H new ATOM 0 HG22 THR A 625 -1.560 3.443 6.740 1.00 62.31 H new ATOM 0 HG23 THR A 625 -2.514 3.836 5.289 1.00 62.31 H new ATOM 995 N LEU A 626 -3.988 1.872 5.003 1.00 65.42 N ATOM 996 CA LEU A 626 -4.434 1.496 3.666 1.00 64.41 C ATOM 997 C LEU A 626 -5.687 0.630 3.734 1.00 53.34 C ATOM 998 O LEU A 626 -6.700 0.934 3.102 1.00 30.11 O ATOM 999 CB LEU A 626 -3.322 0.747 2.930 1.00 24.04 C ATOM 1000 CG LEU A 626 -2.940 1.295 1.554 1.00 2.53 C ATOM 1001 CD1 LEU A 626 -1.678 0.619 1.041 1.00 45.34 C ATOM 1002 CD2 LEU A 626 -4.085 1.107 0.569 1.00 3.11 C ATOM 0 H LEU A 626 -3.025 1.612 5.215 1.00 65.42 H new ATOM 0 HA LEU A 626 -4.674 2.408 3.119 1.00 64.41 H new ATOM 0 HB2 LEU A 626 -2.432 0.749 3.559 1.00 24.04 H new ATOM 0 HB3 LEU A 626 -3.628 -0.293 2.813 1.00 24.04 H new ATOM 0 HG LEU A 626 -2.742 2.362 1.652 1.00 2.53 H new ATOM 0 HD11 LEU A 626 -1.422 1.022 0.061 1.00 45.34 H new ATOM 0 HD12 LEU A 626 -0.858 0.804 1.735 1.00 45.34 H new ATOM 0 HD13 LEU A 626 -1.848 -0.455 0.959 1.00 45.34 H new ATOM 0 HD21 LEU A 626 -3.796 1.502 -0.405 1.00 3.11 H new ATOM 0 HD22 LEU A 626 -4.314 0.045 0.476 1.00 3.11 H new ATOM 0 HD23 LEU A 626 -4.966 1.638 0.929 1.00 3.11 H new ATOM 1013 N VAL A 627 -5.615 -0.449 4.505 1.00 65.12 N ATOM 1014 CA VAL A 627 -6.745 -1.358 4.659 1.00 73.41 C ATOM 1015 C VAL A 627 -7.957 -0.634 5.235 1.00 31.33 C ATOM 1016 O VAL A 627 -9.040 -0.650 4.648 1.00 21.21 O ATOM 1017 CB VAL A 627 -6.390 -2.547 5.571 1.00 73.51 C ATOM 1018 CG1 VAL A 627 -7.447 -3.636 5.466 1.00 53.34 C ATOM 1019 CG2 VAL A 627 -5.014 -3.094 5.222 1.00 72.35 C ATOM 0 H VAL A 627 -4.785 -0.716 5.034 1.00 65.12 H new ATOM 0 HA VAL A 627 -6.987 -1.733 3.665 1.00 73.41 H new ATOM 0 HB VAL A 627 -6.366 -2.196 6.603 1.00 73.51 H new ATOM 0 HG11 VAL A 627 -7.179 -4.468 6.118 1.00 53.34 H new ATOM 0 HG12 VAL A 627 -8.414 -3.235 5.769 1.00 53.34 H new ATOM 0 HG13 VAL A 627 -7.507 -3.987 4.436 1.00 53.34 H new ATOM 0 HG21 VAL A 627 -4.780 -3.934 5.876 1.00 72.35 H new ATOM 0 HG22 VAL A 627 -5.008 -3.429 4.185 1.00 72.35 H new ATOM 0 HG23 VAL A 627 -4.267 -2.311 5.354 1.00 72.35 H new ATOM 1029 N HIS A 628 -7.768 0.001 6.387 1.00 13.34 N ATOM 1030 CA HIS A 628 -8.846 0.732 7.042 1.00 54.50 C ATOM 1031 C HIS A 628 -9.479 1.739 6.086 1.00 0.31 C ATOM 1032 O HIS A 628 -10.652 2.091 6.224 1.00 44.30 O ATOM 1033 CB HIS A 628 -8.322 1.452 8.285 1.00 34.22 C ATOM 1034 CG HIS A 628 -7.757 0.527 9.318 1.00 42.24 C ATOM 1035 ND1 HIS A 628 -8.040 -0.822 9.356 1.00 63.30 N ATOM 1036 CD2 HIS A 628 -6.921 0.764 10.356 1.00 52.22 C ATOM 1037 CE1 HIS A 628 -7.402 -1.375 10.373 1.00 52.42 C ATOM 1038 NE2 HIS A 628 -6.717 -0.434 10.995 1.00 64.13 N ATOM 0 H HIS A 628 -6.879 0.024 6.886 1.00 13.34 H new ATOM 0 HA HIS A 628 -9.608 0.013 7.342 1.00 54.50 H new ATOM 0 HB2 HIS A 628 -7.552 2.163 7.986 1.00 34.22 H new ATOM 0 HB3 HIS A 628 -9.133 2.029 8.730 1.00 34.22 H new ATOM 0 HD2 HIS A 628 -6.494 1.717 10.630 1.00 52.22 H new ATOM 0 HE1 HIS A 628 -7.436 -2.419 10.648 1.00 52.42 H new ATOM 0 HE2 HIS A 628 -6.131 -0.574 11.818 1.00 64.13 H new ATOM 1045 N THR A 629 -8.697 2.201 5.117 1.00 21.53 N ATOM 1046 CA THR A 629 -9.179 3.168 4.139 1.00 73.23 C ATOM 1047 C THR A 629 -10.077 2.501 3.102 1.00 70.55 C ATOM 1048 O THR A 629 -10.999 3.122 2.577 1.00 13.52 O ATOM 1049 CB THR A 629 -8.012 3.867 3.417 1.00 34.42 C ATOM 1050 OG1 THR A 629 -7.272 4.670 4.344 1.00 42.33 O ATOM 1051 CG2 THR A 629 -8.523 4.739 2.280 1.00 5.22 C ATOM 0 H THR A 629 -7.725 1.921 4.988 1.00 21.53 H new ATOM 0 HA THR A 629 -9.754 3.913 4.689 1.00 73.23 H new ATOM 0 HB THR A 629 -7.360 3.099 3.001 1.00 34.42 H new ATOM 0 HG1 THR A 629 -6.834 4.091 5.002 1.00 42.33 H new ATOM 0 HG21 THR A 629 -7.681 5.222 1.785 1.00 5.22 H new ATOM 0 HG22 THR A 629 -9.060 4.121 1.561 1.00 5.22 H new ATOM 0 HG23 THR A 629 -9.195 5.499 2.678 1.00 5.22 H new ATOM 1059 N ALA A 630 -9.799 1.234 2.814 1.00 73.11 N ATOM 1060 CA ALA A 630 -10.584 0.483 1.842 1.00 41.33 C ATOM 1061 C ALA A 630 -12.072 0.545 2.171 1.00 44.13 C ATOM 1062 O ALA A 630 -12.893 0.872 1.316 1.00 53.11 O ATOM 1063 CB ALA A 630 -10.114 -0.964 1.789 1.00 71.34 C ATOM 0 H ALA A 630 -9.037 0.706 3.239 1.00 73.11 H new ATOM 0 HA ALA A 630 -10.436 0.939 0.863 1.00 41.33 H new ATOM 0 HB1 ALA A 630 -10.709 -1.513 1.059 1.00 71.34 H new ATOM 0 HB2 ALA A 630 -9.064 -0.995 1.499 1.00 71.34 H new ATOM 0 HB3 ALA A 630 -10.232 -1.421 2.771 1.00 71.34 H new ATOM 1069 N SER A 631 -12.411 0.229 3.417 1.00 1.00 N ATOM 1070 CA SER A 631 -13.801 0.245 3.858 1.00 75.55 C ATOM 1071 C SER A 631 -13.940 -0.390 5.239 1.00 31.03 C ATOM 1072 O SER A 631 -14.552 -1.448 5.388 1.00 11.03 O ATOM 1073 CB SER A 631 -14.686 -0.494 2.852 1.00 71.33 C ATOM 1074 OG SER A 631 -15.952 -0.797 3.413 1.00 63.12 O ATOM 0 H SER A 631 -11.743 -0.041 4.139 1.00 1.00 H new ATOM 0 HA SER A 631 -14.125 1.284 3.921 1.00 75.55 H new ATOM 0 HB2 SER A 631 -14.817 0.118 1.960 1.00 71.33 H new ATOM 0 HB3 SER A 631 -14.194 -1.415 2.538 1.00 71.33 H new ATOM 0 HG SER A 631 -15.842 -1.451 4.134 1.00 63.12 H new ATOM 1079 N ILE A 632 -13.369 0.264 6.244 1.00 33.41 N ATOM 1080 CA ILE A 632 -13.430 -0.235 7.612 1.00 4.30 C ATOM 1081 C ILE A 632 -14.111 0.771 8.535 1.00 34.52 C ATOM 1082 O ILE A 632 -15.272 0.602 8.905 1.00 51.21 O ATOM 1083 CB ILE A 632 -12.026 -0.549 8.160 1.00 71.41 C ATOM 1084 CG1 ILE A 632 -11.483 -1.832 7.530 1.00 22.13 C ATOM 1085 CG2 ILE A 632 -12.063 -0.672 9.676 1.00 53.10 C ATOM 1086 CD1 ILE A 632 -11.252 -1.724 6.039 1.00 14.32 C ATOM 0 H ILE A 632 -12.859 1.141 6.137 1.00 33.41 H new ATOM 0 HA ILE A 632 -14.015 -1.154 7.586 1.00 4.30 H new ATOM 0 HB ILE A 632 -11.359 0.272 7.898 1.00 71.41 H new ATOM 0 HG12 ILE A 632 -10.544 -2.096 8.016 1.00 22.13 H new ATOM 0 HG13 ILE A 632 -12.182 -2.646 7.723 1.00 22.13 H new ATOM 0 HG21 ILE A 632 -11.063 -0.894 10.048 1.00 53.10 H new ATOM 0 HG22 ILE A 632 -12.411 0.266 10.109 1.00 53.10 H new ATOM 0 HG23 ILE A 632 -12.742 -1.476 9.959 1.00 53.10 H new ATOM 0 HD11 ILE A 632 -10.867 -2.671 5.661 1.00 14.32 H new ATOM 0 HD12 ILE A 632 -12.193 -1.490 5.541 1.00 14.32 H new ATOM 0 HD13 ILE A 632 -10.529 -0.933 5.839 1.00 14.32 H new ATOM 1097 N ALA A 633 -13.380 1.819 8.901 1.00 31.13 N ATOM 1098 CA ALA A 633 -13.914 2.854 9.776 1.00 70.41 C ATOM 1099 C ALA A 633 -14.252 4.116 8.991 1.00 42.44 C ATOM 1100 O ALA A 633 -13.528 4.526 8.084 1.00 22.12 O ATOM 1101 CB ALA A 633 -12.921 3.171 10.885 1.00 2.42 C ATOM 0 H ALA A 633 -12.416 1.973 8.605 1.00 31.13 H new ATOM 0 HA ALA A 633 -14.834 2.478 10.223 1.00 70.41 H new ATOM 0 HB1 ALA A 633 -13.333 3.946 11.531 1.00 2.42 H new ATOM 0 HB2 ALA A 633 -12.731 2.272 11.472 1.00 2.42 H new ATOM 0 HB3 ALA A 633 -11.987 3.522 10.447 1.00 2.42 H new ATOM 1210 N PRO A 641 -9.034 11.980 -2.023 1.00 31.23 N ATOM 1211 CA PRO A 641 -9.557 11.017 -2.996 1.00 72.21 C ATOM 1212 C PRO A 641 -8.632 9.817 -3.178 1.00 14.43 C ATOM 1213 O PRO A 641 -7.464 9.969 -3.536 1.00 15.32 O ATOM 1214 CB PRO A 641 -9.639 11.829 -4.291 1.00 72.24 C ATOM 1215 CG PRO A 641 -8.623 12.906 -4.128 1.00 64.01 C ATOM 1216 CD PRO A 641 -8.599 13.234 -2.661 1.00 62.13 C ATOM 0 HA PRO A 641 -10.511 10.596 -2.680 1.00 72.21 H new ATOM 0 HB2 PRO A 641 -9.423 11.209 -5.161 1.00 72.24 H new ATOM 0 HB3 PRO A 641 -10.636 12.244 -4.435 1.00 72.24 H new ATOM 0 HG2 PRO A 641 -7.643 12.573 -4.469 1.00 64.01 H new ATOM 0 HG3 PRO A 641 -8.886 13.783 -4.720 1.00 64.01 H new ATOM 0 HD2 PRO A 641 -7.602 13.528 -2.331 1.00 62.13 H new ATOM 0 HD3 PRO A 641 -9.270 14.060 -2.423 1.00 62.13 H new ATOM 1221 N VAL A 642 -9.164 8.625 -2.929 1.00 23.14 N ATOM 1222 CA VAL A 642 -8.387 7.398 -3.068 1.00 41.35 C ATOM 1223 C VAL A 642 -8.926 6.530 -4.200 1.00 73.03 C ATOM 1224 O VAL A 642 -10.135 6.388 -4.385 1.00 74.41 O ATOM 1225 CB VAL A 642 -8.391 6.581 -1.763 1.00 44.22 C ATOM 1226 CG1 VAL A 642 -8.032 7.464 -0.578 1.00 62.12 C ATOM 1227 CG2 VAL A 642 -9.746 5.919 -1.553 1.00 20.11 C ATOM 0 H VAL A 642 -10.129 8.482 -2.630 1.00 23.14 H new ATOM 0 HA VAL A 642 -7.364 7.696 -3.299 1.00 41.35 H new ATOM 0 HB VAL A 642 -7.637 5.798 -1.843 1.00 44.22 H new ATOM 0 HG11 VAL A 642 -8.040 6.869 0.335 1.00 62.12 H new ATOM 0 HG12 VAL A 642 -7.038 7.886 -0.727 1.00 62.12 H new ATOM 0 HG13 VAL A 642 -8.760 8.271 -0.492 1.00 62.12 H new ATOM 0 HG21 VAL A 642 -9.731 5.346 -0.626 1.00 20.11 H new ATOM 0 HG22 VAL A 642 -10.520 6.685 -1.494 1.00 20.11 H new ATOM 0 HG23 VAL A 642 -9.959 5.252 -2.389 1.00 20.11 H new ATOM 1237 N PRO A 643 -8.009 5.935 -4.977 1.00 45.23 N ATOM 1238 CA PRO A 643 -8.369 5.069 -6.103 1.00 71.22 C ATOM 1239 C PRO A 643 -8.984 3.750 -5.648 1.00 4.12 C ATOM 1240 O PRO A 643 -8.417 3.046 -4.813 1.00 62.21 O ATOM 1241 CB PRO A 643 -7.029 4.822 -6.802 1.00 1.43 C ATOM 1242 CG PRO A 643 -6.006 5.003 -5.735 1.00 4.42 C ATOM 1243 CD PRO A 643 -6.551 6.059 -4.813 1.00 5.24 C ATOM 0 HA PRO A 643 -9.123 5.526 -6.744 1.00 71.22 H new ATOM 0 HB2 PRO A 643 -6.984 3.820 -7.228 1.00 1.43 H new ATOM 0 HB3 PRO A 643 -6.875 5.524 -7.622 1.00 1.43 H new ATOM 0 HG2 PRO A 643 -5.831 4.070 -5.199 1.00 4.42 H new ATOM 0 HG3 PRO A 643 -5.050 5.311 -6.159 1.00 4.42 H new ATOM 0 HD2 PRO A 643 -6.247 5.887 -3.781 1.00 5.24 H new ATOM 0 HD3 PRO A 643 -6.199 7.053 -5.088 1.00 5.24 H new ATOM 1248 N GLN A 644 -10.147 3.422 -6.204 1.00 24.50 N ATOM 1249 CA GLN A 644 -10.838 2.186 -5.854 1.00 65.44 C ATOM 1250 C GLN A 644 -10.033 0.969 -6.295 1.00 11.34 C ATOM 1251 O GLN A 644 -10.242 -0.139 -5.801 1.00 64.35 O ATOM 1252 CB GLN A 644 -12.226 2.156 -6.494 1.00 3.34 C ATOM 1253 CG GLN A 644 -13.211 1.254 -5.767 1.00 54.32 C ATOM 1254 CD GLN A 644 -13.932 1.967 -4.640 1.00 75.10 C ATOM 1255 OE1 GLN A 644 -13.983 3.197 -4.600 1.00 4.02 O ATOM 1256 NE2 GLN A 644 -14.495 1.197 -3.716 1.00 1.41 N ATOM 0 H GLN A 644 -10.629 3.994 -6.897 1.00 24.50 H new ATOM 0 HA GLN A 644 -10.945 2.152 -4.770 1.00 65.44 H new ATOM 0 HB2 GLN A 644 -12.626 3.169 -6.522 1.00 3.34 H new ATOM 0 HB3 GLN A 644 -12.134 1.821 -7.527 1.00 3.34 H new ATOM 0 HG2 GLN A 644 -13.944 0.874 -6.479 1.00 54.32 H new ATOM 0 HG3 GLN A 644 -12.680 0.391 -5.365 1.00 54.32 H new ATOM 0 HE21 GLN A 644 -14.428 0.182 -3.788 1.00 1.41 H new ATOM 0 HE22 GLN A 644 -14.994 1.621 -2.934 1.00 1.41 H new ATOM 1263 N ASP A 645 -9.114 1.181 -7.231 1.00 23.44 N ATOM 1264 CA ASP A 645 -8.277 0.100 -7.740 1.00 62.33 C ATOM 1265 C ASP A 645 -7.293 -0.374 -6.675 1.00 53.14 C ATOM 1266 O ASP A 645 -7.015 -1.568 -6.557 1.00 72.32 O ATOM 1267 CB ASP A 645 -7.518 0.558 -8.986 1.00 60.21 C ATOM 1268 CG ASP A 645 -6.993 -0.606 -9.804 1.00 61.32 C ATOM 1269 OD1 ASP A 645 -7.782 -1.195 -10.573 1.00 62.43 O ATOM 1270 OD2 ASP A 645 -5.793 -0.927 -9.676 1.00 34.14 O ATOM 0 H ASP A 645 -8.930 2.091 -7.653 1.00 23.44 H new ATOM 0 HA ASP A 645 -8.926 -0.734 -8.006 1.00 62.33 H new ATOM 0 HB2 ASP A 645 -8.176 1.166 -9.606 1.00 60.21 H new ATOM 0 HB3 ASP A 645 -6.684 1.194 -8.687 1.00 60.21 H new ATOM 1274 N LEU A 646 -6.768 0.571 -5.901 1.00 64.02 N ATOM 1275 CA LEU A 646 -5.813 0.252 -4.846 1.00 25.31 C ATOM 1276 C LEU A 646 -6.516 -0.373 -3.645 1.00 12.44 C ATOM 1277 O LEU A 646 -6.149 -1.458 -3.191 1.00 11.01 O ATOM 1278 CB LEU A 646 -5.061 1.511 -4.412 1.00 40.43 C ATOM 1279 CG LEU A 646 -4.151 2.145 -5.464 1.00 52.31 C ATOM 1280 CD1 LEU A 646 -3.383 3.315 -4.870 1.00 63.43 C ATOM 1281 CD2 LEU A 646 -3.194 1.111 -6.036 1.00 22.33 C ATOM 0 H LEU A 646 -6.988 1.563 -5.985 1.00 64.02 H new ATOM 0 HA LEU A 646 -5.100 -0.470 -5.243 1.00 25.31 H new ATOM 0 HB2 LEU A 646 -5.792 2.256 -4.096 1.00 40.43 H new ATOM 0 HB3 LEU A 646 -4.457 1.266 -3.538 1.00 40.43 H new ATOM 0 HG LEU A 646 -4.774 2.521 -6.276 1.00 52.31 H new ATOM 0 HD11 LEU A 646 -2.741 3.754 -5.633 1.00 63.43 H new ATOM 0 HD12 LEU A 646 -4.086 4.067 -4.511 1.00 63.43 H new ATOM 0 HD13 LEU A 646 -2.771 2.964 -4.039 1.00 63.43 H new ATOM 0 HD21 LEU A 646 -2.554 1.581 -6.783 1.00 22.33 H new ATOM 0 HD22 LEU A 646 -2.577 0.704 -5.235 1.00 22.33 H new ATOM 0 HD23 LEU A 646 -3.763 0.306 -6.501 1.00 22.33 H new ATOM 1292 N LEU A 647 -7.532 0.316 -3.137 1.00 21.14 N ATOM 1293 CA LEU A 647 -8.290 -0.172 -1.990 1.00 42.14 C ATOM 1294 C LEU A 647 -8.782 -1.596 -2.228 1.00 34.42 C ATOM 1295 O LEU A 647 -8.698 -2.448 -1.343 1.00 30.41 O ATOM 1296 CB LEU A 647 -9.479 0.750 -1.710 1.00 60.41 C ATOM 1297 CG LEU A 647 -9.135 2.164 -1.240 1.00 74.33 C ATOM 1298 CD1 LEU A 647 -10.391 2.900 -0.801 1.00 53.44 C ATOM 1299 CD2 LEU A 647 -8.119 2.118 -0.109 1.00 22.40 C ATOM 0 H LEU A 647 -7.850 1.214 -3.501 1.00 21.14 H new ATOM 0 HA LEU A 647 -7.628 -0.176 -1.124 1.00 42.14 H new ATOM 0 HB2 LEU A 647 -10.076 0.826 -2.619 1.00 60.41 H new ATOM 0 HB3 LEU A 647 -10.108 0.280 -0.954 1.00 60.41 H new ATOM 0 HG LEU A 647 -8.693 2.707 -2.076 1.00 74.33 H new ATOM 0 HD11 LEU A 647 -10.127 3.904 -0.470 1.00 53.44 H new ATOM 0 HD12 LEU A 647 -11.086 2.965 -1.638 1.00 53.44 H new ATOM 0 HD13 LEU A 647 -10.861 2.359 0.020 1.00 53.44 H new ATOM 0 HD21 LEU A 647 -7.886 3.133 0.213 1.00 22.40 H new ATOM 0 HD22 LEU A 647 -8.533 1.558 0.729 1.00 22.40 H new ATOM 0 HD23 LEU A 647 -7.209 1.630 -0.457 1.00 22.40 H new ATOM 1310 N ASP A 648 -9.292 -1.847 -3.429 1.00 44.14 N ATOM 1311 CA ASP A 648 -9.795 -3.169 -3.785 1.00 72.55 C ATOM 1312 C ASP A 648 -8.681 -4.209 -3.717 1.00 22.11 C ATOM 1313 O ASP A 648 -8.847 -5.274 -3.121 1.00 74.22 O ATOM 1314 CB ASP A 648 -10.404 -3.146 -5.187 1.00 74.23 C ATOM 1315 CG ASP A 648 -11.159 -4.420 -5.511 1.00 61.52 C ATOM 1316 OD1 ASP A 648 -10.521 -5.383 -5.986 1.00 44.23 O ATOM 1317 OD2 ASP A 648 -12.387 -4.455 -5.291 1.00 55.41 O ATOM 0 H ASP A 648 -9.368 -1.153 -4.172 1.00 44.14 H new ATOM 0 HA ASP A 648 -10.568 -3.443 -3.067 1.00 72.55 H new ATOM 0 HB2 ASP A 648 -11.080 -2.295 -5.273 1.00 74.23 H new ATOM 0 HB3 ASP A 648 -9.612 -3.000 -5.922 1.00 74.23 H new ATOM 1321 N ARG A 649 -7.546 -3.895 -4.334 1.00 34.21 N ATOM 1322 CA ARG A 649 -6.406 -4.803 -4.347 1.00 52.04 C ATOM 1323 C ARG A 649 -5.918 -5.082 -2.929 1.00 61.04 C ATOM 1324 O ARG A 649 -5.634 -6.226 -2.572 1.00 54.13 O ATOM 1325 CB ARG A 649 -5.267 -4.215 -5.183 1.00 51.20 C ATOM 1326 CG ARG A 649 -5.524 -4.262 -6.680 1.00 5.41 C ATOM 1327 CD ARG A 649 -5.126 -5.606 -7.271 1.00 14.25 C ATOM 1328 NE ARG A 649 -6.161 -6.618 -7.079 1.00 64.34 N ATOM 1329 CZ ARG A 649 -6.003 -7.899 -7.390 1.00 11.45 C ATOM 1330 NH1 ARG A 649 -4.859 -8.323 -7.908 1.00 64.53 N ATOM 1331 NH2 ARG A 649 -6.992 -8.761 -7.185 1.00 75.35 N ATOM 0 H ARG A 649 -7.392 -3.018 -4.832 1.00 34.21 H new ATOM 0 HA ARG A 649 -6.728 -5.743 -4.794 1.00 52.04 H new ATOM 0 HB2 ARG A 649 -5.104 -3.180 -4.883 1.00 51.20 H new ATOM 0 HB3 ARG A 649 -4.348 -4.759 -4.963 1.00 51.20 H new ATOM 0 HG2 ARG A 649 -6.580 -4.076 -6.875 1.00 5.41 H new ATOM 0 HG3 ARG A 649 -4.964 -3.467 -7.172 1.00 5.41 H new ATOM 0 HD2 ARG A 649 -4.927 -5.489 -8.336 1.00 14.25 H new ATOM 0 HD3 ARG A 649 -4.198 -5.944 -6.809 1.00 14.25 H new ATOM 0 HE ARG A 649 -7.055 -6.325 -6.684 1.00 64.34 H new ATOM 0 HH11 ARG A 649 -4.097 -7.664 -8.069 1.00 64.53 H new ATOM 0 HH12 ARG A 649 -4.741 -9.308 -8.146 1.00 64.53 H new ATOM 0 HH21 ARG A 649 -7.875 -8.439 -6.788 1.00 75.35 H new ATOM 0 HH22 ARG A 649 -6.869 -9.745 -7.425 1.00 75.35 H new ATOM 1342 N VAL A 650 -5.822 -4.029 -2.123 1.00 74.43 N ATOM 1343 CA VAL A 650 -5.368 -4.160 -0.743 1.00 54.20 C ATOM 1344 C VAL A 650 -6.204 -5.185 0.015 1.00 1.23 C ATOM 1345 O VAL A 650 -5.667 -6.070 0.682 1.00 60.42 O ATOM 1346 CB VAL A 650 -5.432 -2.812 -0.001 1.00 63.44 C ATOM 1347 CG1 VAL A 650 -4.920 -2.962 1.424 1.00 11.54 C ATOM 1348 CG2 VAL A 650 -4.640 -1.753 -0.752 1.00 1.40 C ATOM 0 H VAL A 650 -6.053 -3.075 -2.402 1.00 74.43 H new ATOM 0 HA VAL A 650 -4.332 -4.497 -0.781 1.00 54.20 H new ATOM 0 HB VAL A 650 -6.473 -2.491 0.044 1.00 63.44 H new ATOM 0 HG11 VAL A 650 -4.973 -1.999 1.933 1.00 11.54 H new ATOM 0 HG12 VAL A 650 -5.534 -3.688 1.957 1.00 11.54 H new ATOM 0 HG13 VAL A 650 -3.886 -3.306 1.405 1.00 11.54 H new ATOM 0 HG21 VAL A 650 -4.696 -0.807 -0.214 1.00 1.40 H new ATOM 0 HG22 VAL A 650 -3.599 -2.065 -0.830 1.00 1.40 H new ATOM 0 HG23 VAL A 650 -5.057 -1.627 -1.751 1.00 1.40 H new ATOM 1358 N LEU A 651 -7.522 -5.062 -0.094 1.00 41.13 N ATOM 1359 CA LEU A 651 -8.434 -5.979 0.581 1.00 53.32 C ATOM 1360 C LEU A 651 -8.407 -7.355 -0.074 1.00 0.43 C ATOM 1361 O LEU A 651 -8.709 -8.364 0.563 1.00 71.21 O ATOM 1362 CB LEU A 651 -9.858 -5.420 0.561 1.00 40.11 C ATOM 1363 CG LEU A 651 -10.352 -4.792 1.864 1.00 50.35 C ATOM 1364 CD1 LEU A 651 -9.262 -3.936 2.491 1.00 13.32 C ATOM 1365 CD2 LEU A 651 -11.606 -3.965 1.618 1.00 21.42 C ATOM 0 H LEU A 651 -7.983 -4.337 -0.643 1.00 41.13 H new ATOM 0 HA LEU A 651 -8.105 -6.083 1.615 1.00 53.32 H new ATOM 0 HB2 LEU A 651 -9.921 -4.670 -0.227 1.00 40.11 H new ATOM 0 HB3 LEU A 651 -10.539 -6.226 0.289 1.00 40.11 H new ATOM 0 HG LEU A 651 -10.601 -5.594 2.559 1.00 50.35 H new ATOM 0 HD11 LEU A 651 -9.632 -3.497 3.418 1.00 13.32 H new ATOM 0 HD12 LEU A 651 -8.391 -4.555 2.705 1.00 13.32 H new ATOM 0 HD13 LEU A 651 -8.981 -3.141 1.800 1.00 13.32 H new ATOM 0 HD21 LEU A 651 -11.942 -3.526 2.557 1.00 21.42 H new ATOM 0 HD22 LEU A 651 -11.384 -3.171 0.905 1.00 21.42 H new ATOM 0 HD23 LEU A 651 -12.391 -4.605 1.215 1.00 21.42 H new ATOM 1376 N ALA A 652 -8.041 -7.389 -1.352 1.00 4.24 N ATOM 1377 CA ALA A 652 -7.970 -8.643 -2.092 1.00 35.11 C ATOM 1378 C ALA A 652 -6.857 -9.536 -1.555 1.00 75.10 C ATOM 1379 O ALA A 652 -7.070 -10.719 -1.292 1.00 71.43 O ATOM 1380 CB ALA A 652 -7.760 -8.368 -3.574 1.00 10.32 C ATOM 0 H ALA A 652 -7.789 -6.563 -1.895 1.00 4.24 H new ATOM 0 HA ALA A 652 -8.916 -9.169 -1.960 1.00 35.11 H new ATOM 0 HB1 ALA A 652 -7.709 -9.313 -4.116 1.00 10.32 H new ATOM 0 HB2 ALA A 652 -8.592 -7.776 -3.956 1.00 10.32 H new ATOM 0 HB3 ALA A 652 -6.829 -7.819 -3.714 1.00 10.32 H new ATOM 1386 N ALA A 653 -5.668 -8.962 -1.396 1.00 51.33 N ATOM 1387 CA ALA A 653 -4.522 -9.705 -0.889 1.00 42.40 C ATOM 1388 C ALA A 653 -4.686 -10.021 0.595 1.00 3.24 C ATOM 1389 O ALA A 653 -4.507 -11.164 1.020 1.00 55.44 O ATOM 1390 CB ALA A 653 -3.239 -8.924 -1.125 1.00 11.21 C ATOM 0 H ALA A 653 -5.474 -7.984 -1.611 1.00 51.33 H new ATOM 0 HA ALA A 653 -4.464 -10.649 -1.431 1.00 42.40 H new ATOM 0 HB1 ALA A 653 -2.392 -9.492 -0.741 1.00 11.21 H new ATOM 0 HB2 ALA A 653 -3.108 -8.754 -2.194 1.00 11.21 H new ATOM 0 HB3 ALA A 653 -3.297 -7.965 -0.610 1.00 11.21 H new ATOM 1396 N HIS A 654 -5.026 -9.003 1.379 1.00 14.14 N ATOM 1397 CA HIS A 654 -5.213 -9.173 2.814 1.00 40.23 C ATOM 1398 C HIS A 654 -6.288 -10.216 3.103 1.00 12.33 C ATOM 1399 O HIS A 654 -6.229 -10.920 4.111 1.00 54.41 O ATOM 1400 CB HIS A 654 -5.593 -7.840 3.462 1.00 23.42 C ATOM 1401 CG HIS A 654 -4.496 -6.821 3.422 1.00 24.21 C ATOM 1402 ND1 HIS A 654 -4.541 -5.475 3.286 1.00 50.04 N flip ATOM 1403 CD2 HIS A 654 -3.160 -7.149 3.528 1.00 11.52 C flip ATOM 1404 CE1 HIS A 654 -3.247 -5.019 3.313 1.00 24.31 C flip ATOM 1405 NE2 HIS A 654 -2.433 -6.048 3.460 1.00 72.01 N flip ATOM 0 H HIS A 654 -5.178 -8.052 1.044 1.00 14.14 H new ATOM 0 HA HIS A 654 -4.271 -9.520 3.239 1.00 40.23 H new ATOM 0 HB2 HIS A 654 -6.471 -7.437 2.957 1.00 23.42 H new ATOM 0 HB3 HIS A 654 -5.876 -8.017 4.500 1.00 23.42 H new ATOM 0 HD2 HIS A 654 -2.770 -8.149 3.648 1.00 11.52 H new ATOM 0 HE1 HIS A 654 -2.944 -3.986 3.228 1.00 24.31 H new ATOM 0 HE2 HIS A 654 -1.415 -6.001 3.512 1.00 72.01 H new ATOM 1412 N ALA A 655 -7.269 -10.310 2.211 1.00 30.54 N ATOM 1413 CA ALA A 655 -8.356 -11.269 2.369 1.00 55.20 C ATOM 1414 C ALA A 655 -7.867 -12.695 2.142 1.00 3.41 C ATOM 1415 O ALA A 655 -8.169 -13.597 2.925 1.00 74.22 O ATOM 1416 CB ALA A 655 -9.493 -10.939 1.413 1.00 61.31 C ATOM 0 H ALA A 655 -7.333 -9.734 1.372 1.00 30.54 H new ATOM 0 HA ALA A 655 -8.725 -11.199 3.392 1.00 55.20 H new ATOM 0 HB1 ALA A 655 -10.298 -11.663 1.541 1.00 61.31 H new ATOM 0 HB2 ALA A 655 -9.868 -9.938 1.625 1.00 61.31 H new ATOM 0 HB3 ALA A 655 -9.129 -10.980 0.386 1.00 61.31 H new ATOM 1422 N TYR A 656 -7.113 -12.894 1.067 1.00 54.34 N ATOM 1423 CA TYR A 656 -6.585 -14.211 0.735 1.00 45.42 C ATOM 1424 C TYR A 656 -5.542 -14.653 1.756 1.00 72.32 C ATOM 1425 O TYR A 656 -5.549 -15.796 2.215 1.00 54.30 O ATOM 1426 CB TYR A 656 -5.973 -14.201 -0.666 1.00 21.34 C ATOM 1427 CG TYR A 656 -5.293 -15.499 -1.039 1.00 55.11 C ATOM 1428 CD1 TYR A 656 -6.036 -16.619 -1.390 1.00 31.12 C ATOM 1429 CD2 TYR A 656 -3.907 -15.605 -1.041 1.00 31.04 C ATOM 1430 CE1 TYR A 656 -5.419 -17.808 -1.732 1.00 73.45 C ATOM 1431 CE2 TYR A 656 -3.282 -16.789 -1.382 1.00 74.20 C ATOM 1432 CZ TYR A 656 -4.041 -17.886 -1.726 1.00 3.34 C ATOM 1433 OH TYR A 656 -3.423 -19.068 -2.066 1.00 1.32 O ATOM 0 H TYR A 656 -6.854 -12.158 0.410 1.00 54.34 H new ATOM 0 HA TYR A 656 -7.411 -14.921 0.757 1.00 45.42 H new ATOM 0 HB2 TYR A 656 -6.756 -13.989 -1.394 1.00 21.34 H new ATOM 0 HB3 TYR A 656 -5.249 -13.389 -0.731 1.00 21.34 H new ATOM 0 HD1 TYR A 656 -7.114 -16.560 -1.396 1.00 31.12 H new ATOM 0 HD2 TYR A 656 -3.309 -14.747 -0.771 1.00 31.04 H new ATOM 0 HE1 TYR A 656 -6.011 -18.670 -2.002 1.00 73.45 H new ATOM 0 HE2 TYR A 656 -2.204 -16.854 -1.379 1.00 74.20 H new ATOM 0 HH TYR A 656 -2.451 -18.956 -2.013 1.00 1.32 H new ATOM 1442 N TRP A 657 -4.644 -13.739 2.107 1.00 45.32 N ATOM 1443 CA TRP A 657 -3.592 -14.032 3.075 1.00 44.51 C ATOM 1444 C TRP A 657 -4.185 -14.332 4.448 1.00 31.15 C ATOM 1445 O TRP A 657 -3.767 -15.274 5.122 1.00 30.23 O ATOM 1446 CB TRP A 657 -2.617 -12.859 3.171 1.00 53.34 C ATOM 1447 CG TRP A 657 -1.747 -12.707 1.961 1.00 12.34 C ATOM 1448 CD1 TRP A 657 -1.568 -11.577 1.216 1.00 31.12 C ATOM 1449 CD2 TRP A 657 -0.941 -13.723 1.354 1.00 72.24 C ATOM 1450 NE1 TRP A 657 -0.697 -11.829 0.183 1.00 53.53 N ATOM 1451 CE2 TRP A 657 -0.297 -13.137 0.246 1.00 1.22 C ATOM 1452 CE3 TRP A 657 -0.696 -15.068 1.639 1.00 41.41 C ATOM 1453 CZ2 TRP A 657 0.571 -13.852 -0.575 1.00 3.20 C ATOM 1454 CZ3 TRP A 657 0.165 -15.778 0.824 1.00 73.12 C ATOM 1455 CH2 TRP A 657 0.791 -15.168 -0.272 1.00 0.10 C ATOM 0 H TRP A 657 -4.623 -12.789 1.736 1.00 45.32 H new ATOM 0 HA TRP A 657 -3.052 -14.915 2.732 1.00 44.51 H new ATOM 0 HB2 TRP A 657 -3.181 -11.939 3.321 1.00 53.34 H new ATOM 0 HB3 TRP A 657 -1.985 -12.992 4.049 1.00 53.34 H new ATOM 0 HD1 TRP A 657 -2.041 -10.626 1.410 1.00 31.12 H new ATOM 0 HE1 TRP A 657 -0.397 -11.151 -0.518 1.00 53.53 H new ATOM 0 HE3 TRP A 657 -1.172 -15.546 2.483 1.00 41.41 H new ATOM 0 HZ2 TRP A 657 1.053 -13.385 -1.421 1.00 3.20 H new ATOM 0 HZ3 TRP A 657 0.359 -16.819 1.035 1.00 73.12 H new ATOM 0 HH2 TRP A 657 1.460 -15.748 -0.890 1.00 0.10 H new ATOM 1465 N SER A 658 -5.159 -13.525 4.856 1.00 4.43 N ATOM 1466 CA SER A 658 -5.805 -13.703 6.152 1.00 15.20 C ATOM 1467 C SER A 658 -6.520 -15.049 6.221 1.00 44.34 C ATOM 1468 O SER A 658 -6.618 -15.656 7.288 1.00 12.13 O ATOM 1469 CB SER A 658 -6.801 -12.570 6.407 1.00 41.21 C ATOM 1470 OG SER A 658 -6.128 -11.351 6.674 1.00 42.14 O ATOM 0 H SER A 658 -5.518 -12.742 4.309 1.00 4.43 H new ATOM 0 HA SER A 658 -5.034 -13.681 6.922 1.00 15.20 H new ATOM 0 HB2 SER A 658 -7.449 -12.449 5.539 1.00 41.21 H new ATOM 0 HB3 SER A 658 -7.442 -12.828 7.250 1.00 41.21 H new ATOM 0 HG SER A 658 -6.177 -10.771 5.886 1.00 42.14 H new ATOM 1475 N GLN A 659 -7.019 -15.507 5.078 1.00 21.01 N ATOM 1476 CA GLN A 659 -7.727 -16.781 5.010 1.00 21.42 C ATOM 1477 C GLN A 659 -6.847 -17.920 5.514 1.00 65.13 C ATOM 1478 O GLN A 659 -7.347 -18.952 5.958 1.00 42.33 O ATOM 1479 CB GLN A 659 -8.173 -17.064 3.574 1.00 61.32 C ATOM 1480 CG GLN A 659 -9.106 -18.258 3.451 1.00 75.14 C ATOM 1481 CD GLN A 659 -10.288 -18.173 4.398 1.00 22.23 C ATOM 1482 OE1 GLN A 659 -11.327 -17.604 4.062 1.00 45.01 O ATOM 1483 NE2 GLN A 659 -10.134 -18.742 5.588 1.00 42.42 N ATOM 0 H GLN A 659 -6.947 -15.016 4.187 1.00 21.01 H new ATOM 0 HA GLN A 659 -8.606 -16.714 5.651 1.00 21.42 H new ATOM 0 HB2 GLN A 659 -8.673 -16.180 3.177 1.00 61.32 H new ATOM 0 HB3 GLN A 659 -7.292 -17.237 2.956 1.00 61.32 H new ATOM 0 HG2 GLN A 659 -9.470 -18.326 2.426 1.00 75.14 H new ATOM 0 HG3 GLN A 659 -8.548 -19.173 3.652 1.00 75.14 H new ATOM 0 HE21 GLN A 659 -9.255 -19.203 5.823 1.00 42.42 H new ATOM 0 HE22 GLN A 659 -10.895 -18.718 6.267 1.00 42.42 H new