USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 589 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 27 ASN : amide:sc= -0.0284 X(o=-0.028,f=-0.49) USER MOD Single : A 30 THR OG1 : rot -71:sc= 0.817 USER MOD Single : A 33 MET CE :methyl 157:sc= -5.72! (180deg=-6.01!) USER MOD Single : A 36 THR OG1 : rot -130:sc= 0 USER MOD Single : A 38 SER OG : rot -22:sc= 0.811! USER MOD Single : A 39 ASN : amide:sc= -1.16 K(o=-1.2,f=-7.3!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -3.45 K(o=-3.4,f=-4.5) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0682 USER MOD Single : A 65 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.001) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -160:sc= -0.484 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.262 F(o=-1,f=-0.26) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 359 N PHE A 22 -12.125 4.717 -18.769 1.00 13.42 N ATOM 360 CA PHE A 22 -12.530 4.875 -20.161 1.00 20.51 C ATOM 361 C PHE A 22 -11.334 4.720 -21.096 1.00 20.12 C ATOM 362 O PHE A 22 -11.438 4.107 -22.159 1.00 42.34 O ATOM 363 CB PHE A 22 -13.184 6.241 -20.373 1.00 1.51 C ATOM 364 CG PHE A 22 -13.384 6.593 -21.820 1.00 25.44 C ATOM 365 CD1 PHE A 22 -14.033 5.717 -22.675 1.00 44.34 C ATOM 366 CD2 PHE A 22 -12.923 7.798 -22.324 1.00 4.15 C ATOM 367 CE1 PHE A 22 -14.217 6.038 -24.007 1.00 62.21 C ATOM 368 CE2 PHE A 22 -13.104 8.124 -23.654 1.00 52.24 C ATOM 369 CZ PHE A 22 -13.753 7.243 -24.497 1.00 12.10 C ATOM 0 HA PHE A 22 -13.254 4.094 -20.393 1.00 20.51 H new ATOM 0 HB2 PHE A 22 -14.150 6.255 -19.867 1.00 1.51 H new ATOM 0 HB3 PHE A 22 -12.567 7.007 -19.903 1.00 1.51 H new ATOM 0 HD1 PHE A 22 -14.399 4.774 -22.297 1.00 44.34 H new ATOM 0 HD2 PHE A 22 -12.416 8.491 -21.669 1.00 4.15 H new ATOM 0 HE1 PHE A 22 -14.723 5.347 -24.664 1.00 62.21 H new ATOM 0 HE2 PHE A 22 -12.739 9.066 -24.034 1.00 52.24 H new ATOM 0 HZ PHE A 22 -13.897 7.496 -25.537 1.00 12.10 H new ATOM 379 N LEU A 23 -10.199 5.280 -20.692 1.00 30.21 N ATOM 380 CA LEU A 23 -8.982 5.205 -21.493 1.00 1.43 C ATOM 381 C LEU A 23 -8.268 3.875 -21.276 1.00 60.01 C ATOM 382 O LEU A 23 -7.349 3.526 -22.016 1.00 4.03 O ATOM 383 CB LEU A 23 -8.045 6.363 -21.142 1.00 34.23 C ATOM 384 CG LEU A 23 -8.643 7.766 -21.251 1.00 45.33 C ATOM 385 CD1 LEU A 23 -9.567 7.861 -22.456 1.00 25.35 C ATOM 386 CD2 LEU A 23 -9.388 8.130 -19.975 1.00 64.03 C ATOM 0 H LEU A 23 -10.096 5.791 -19.815 1.00 30.21 H new ATOM 0 HA LEU A 23 -9.263 5.278 -22.544 1.00 1.43 H new ATOM 0 HB2 LEU A 23 -7.689 6.220 -20.122 1.00 34.23 H new ATOM 0 HB3 LEU A 23 -7.173 6.309 -21.794 1.00 34.23 H new ATOM 0 HG LEU A 23 -7.828 8.477 -21.387 1.00 45.33 H new ATOM 0 HD11 LEU A 23 -9.983 8.867 -22.517 1.00 25.35 H new ATOM 0 HD12 LEU A 23 -9.004 7.645 -23.364 1.00 25.35 H new ATOM 0 HD13 LEU A 23 -10.377 7.139 -22.351 1.00 25.35 H new ATOM 0 HD21 LEU A 23 -9.807 9.132 -20.071 1.00 64.03 H new ATOM 0 HD22 LEU A 23 -10.193 7.415 -19.807 1.00 64.03 H new ATOM 0 HD23 LEU A 23 -8.698 8.104 -19.131 1.00 64.03 H new ATOM 398 N GLU A 24 -8.700 3.136 -20.259 1.00 4.34 N ATOM 399 CA GLU A 24 -8.102 1.844 -19.946 1.00 62.53 C ATOM 400 C GLU A 24 -8.781 0.726 -20.732 1.00 72.14 C ATOM 401 O GLU A 24 -8.545 -0.455 -20.483 1.00 72.50 O ATOM 402 CB GLU A 24 -8.201 1.560 -18.446 1.00 61.20 C ATOM 403 CG GLU A 24 -6.993 2.035 -17.656 1.00 14.04 C ATOM 404 CD GLU A 24 -7.024 1.575 -16.211 1.00 10.31 C ATOM 405 OE1 GLU A 24 -8.135 1.375 -15.676 1.00 41.41 O ATOM 406 OE2 GLU A 24 -5.938 1.416 -15.615 1.00 73.13 O ATOM 0 H GLU A 24 -9.462 3.410 -19.638 1.00 4.34 H new ATOM 0 HA GLU A 24 -7.051 1.880 -20.232 1.00 62.53 H new ATOM 0 HB2 GLU A 24 -9.095 2.043 -18.052 1.00 61.20 H new ATOM 0 HB3 GLU A 24 -8.325 0.488 -18.295 1.00 61.20 H new ATOM 0 HG2 GLU A 24 -6.084 1.666 -18.132 1.00 14.04 H new ATOM 0 HG3 GLU A 24 -6.949 3.124 -17.686 1.00 14.04 H new ATOM 413 N GLY A 25 -9.627 1.109 -21.684 1.00 15.22 N ATOM 414 CA GLY A 25 -10.329 0.129 -22.492 1.00 30.34 C ATOM 415 C GLY A 25 -9.831 0.093 -23.923 1.00 25.14 C ATOM 416 O GLY A 25 -10.370 -0.634 -24.758 1.00 2.35 O ATOM 0 H GLY A 25 -9.839 2.081 -21.910 1.00 15.22 H new ATOM 0 HA2 GLY A 25 -10.211 -0.858 -22.045 1.00 30.34 H new ATOM 0 HA3 GLY A 25 -11.395 0.355 -22.487 1.00 30.34 H new ATOM 420 N PHE A 26 -8.799 0.880 -24.208 1.00 41.40 N ATOM 421 CA PHE A 26 -8.229 0.938 -25.549 1.00 52.01 C ATOM 422 C PHE A 26 -6.726 0.679 -25.513 1.00 61.20 C ATOM 423 O PHE A 26 -6.141 0.506 -24.445 1.00 22.42 O ATOM 424 CB PHE A 26 -8.508 2.301 -26.187 1.00 21.25 C ATOM 425 CG PHE A 26 -9.933 2.752 -26.037 1.00 44.33 C ATOM 426 CD1 PHE A 26 -10.948 2.132 -26.747 1.00 62.33 C ATOM 427 CD2 PHE A 26 -10.257 3.797 -25.187 1.00 22.24 C ATOM 428 CE1 PHE A 26 -12.259 2.546 -26.612 1.00 75.23 C ATOM 429 CE2 PHE A 26 -11.567 4.215 -25.047 1.00 61.02 C ATOM 430 CZ PHE A 26 -12.570 3.588 -25.760 1.00 64.23 C ATOM 0 H PHE A 26 -8.340 1.487 -23.528 1.00 41.40 H new ATOM 0 HA PHE A 26 -8.700 0.160 -26.150 1.00 52.01 H new ATOM 0 HB2 PHE A 26 -7.850 3.045 -25.738 1.00 21.25 H new ATOM 0 HB3 PHE A 26 -8.259 2.255 -27.247 1.00 21.25 H new ATOM 0 HD1 PHE A 26 -10.712 1.316 -27.414 1.00 62.33 H new ATOM 0 HD2 PHE A 26 -9.477 4.291 -24.627 1.00 22.24 H new ATOM 0 HE1 PHE A 26 -13.041 2.055 -27.173 1.00 75.23 H new ATOM 0 HE2 PHE A 26 -11.806 5.031 -24.381 1.00 61.02 H new ATOM 0 HZ PHE A 26 -13.595 3.911 -25.652 1.00 64.23 H new ATOM 440 N ASN A 27 -6.107 0.653 -26.689 1.00 55.12 N ATOM 441 CA ASN A 27 -4.673 0.414 -26.793 1.00 64.12 C ATOM 442 C ASN A 27 -3.883 1.652 -26.379 1.00 32.13 C ATOM 443 O ASN A 27 -4.447 2.735 -26.217 1.00 72.43 O ATOM 444 CB ASN A 27 -4.303 0.015 -28.223 1.00 73.04 C ATOM 445 CG ASN A 27 -4.545 -1.457 -28.494 1.00 33.53 C ATOM 446 OD1 ASN A 27 -4.169 -2.316 -27.696 1.00 63.53 O ATOM 447 ND2 ASN A 27 -5.177 -1.755 -29.623 1.00 63.53 N ATOM 0 H ASN A 27 -6.577 0.795 -27.583 1.00 55.12 H new ATOM 0 HA ASN A 27 -4.417 -0.402 -26.117 1.00 64.12 H new ATOM 0 HB2 ASN A 27 -4.885 0.611 -28.926 1.00 73.04 H new ATOM 0 HB3 ASN A 27 -3.253 0.247 -28.402 1.00 73.04 H new ATOM 0 HD21 ASN A 27 -5.369 -2.729 -29.858 1.00 63.53 H new ATOM 0 HD22 ASN A 27 -5.471 -1.010 -30.255 1.00 63.53 H new ATOM 454 N ILE A 28 -2.576 1.484 -26.209 1.00 31.00 N ATOM 455 CA ILE A 28 -1.709 2.588 -25.815 1.00 74.23 C ATOM 456 C ILE A 28 -1.233 3.373 -27.032 1.00 42.51 C ATOM 457 O ILE A 28 -0.995 4.578 -26.951 1.00 21.03 O ATOM 458 CB ILE A 28 -0.483 2.088 -25.029 1.00 33.14 C ATOM 459 CG1 ILE A 28 0.271 3.268 -24.413 1.00 12.21 C ATOM 460 CG2 ILE A 28 0.434 1.281 -25.935 1.00 22.33 C ATOM 461 CD1 ILE A 28 -0.538 4.034 -23.389 1.00 24.21 C ATOM 0 H ILE A 28 -2.094 0.594 -26.338 1.00 31.00 H new ATOM 0 HA ILE A 28 -2.300 3.241 -25.173 1.00 74.23 H new ATOM 0 HB ILE A 28 -0.826 1.440 -24.223 1.00 33.14 H new ATOM 0 HG12 ILE A 28 1.183 2.900 -23.942 1.00 12.21 H new ATOM 0 HG13 ILE A 28 0.575 3.949 -25.208 1.00 12.21 H new ATOM 0 HG21 ILE A 28 1.296 0.935 -25.365 1.00 22.33 H new ATOM 0 HG22 ILE A 28 -0.109 0.422 -26.330 1.00 22.33 H new ATOM 0 HG23 ILE A 28 0.773 1.907 -26.760 1.00 22.33 H new ATOM 0 HD11 ILE A 28 0.059 4.856 -22.994 1.00 24.21 H new ATOM 0 HD12 ILE A 28 -1.437 4.432 -23.859 1.00 24.21 H new ATOM 0 HD13 ILE A 28 -0.820 3.367 -22.575 1.00 24.21 H new ATOM 473 N GLU A 29 -1.097 2.683 -28.160 1.00 35.20 N ATOM 474 CA GLU A 29 -0.650 3.317 -29.394 1.00 53.24 C ATOM 475 C GLU A 29 -1.690 4.312 -29.903 1.00 31.33 C ATOM 476 O GLU A 29 -1.352 5.312 -30.537 1.00 33.10 O ATOM 477 CB GLU A 29 -0.373 2.260 -30.466 1.00 1.34 C ATOM 478 CG GLU A 29 -1.619 1.531 -30.939 1.00 13.44 C ATOM 479 CD GLU A 29 -1.340 0.583 -32.088 1.00 65.11 C ATOM 480 OE1 GLU A 29 -0.415 -0.247 -31.962 1.00 42.40 O ATOM 481 OE2 GLU A 29 -2.046 0.670 -33.114 1.00 53.51 O ATOM 0 H GLU A 29 -1.290 1.685 -28.244 1.00 35.20 H new ATOM 0 HA GLU A 29 0.272 3.858 -29.180 1.00 53.24 H new ATOM 0 HB2 GLU A 29 0.104 2.739 -31.321 1.00 1.34 H new ATOM 0 HB3 GLU A 29 0.336 1.532 -30.072 1.00 1.34 H new ATOM 0 HG2 GLU A 29 -2.046 0.971 -30.107 1.00 13.44 H new ATOM 0 HG3 GLU A 29 -2.367 2.261 -31.249 1.00 13.44 H new ATOM 488 N THR A 30 -2.958 4.029 -29.620 1.00 52.42 N ATOM 489 CA THR A 30 -4.048 4.897 -30.049 1.00 71.54 C ATOM 490 C THR A 30 -3.893 6.300 -29.475 1.00 20.01 C ATOM 491 O THR A 30 -4.426 7.267 -30.019 1.00 74.12 O ATOM 492 CB THR A 30 -5.417 4.330 -29.627 1.00 64.40 C ATOM 493 OG1 THR A 30 -5.481 4.216 -28.201 1.00 50.30 O ATOM 494 CG2 THR A 30 -5.657 2.968 -30.260 1.00 61.54 C ATOM 0 H THR A 30 -3.255 3.206 -29.096 1.00 52.42 H new ATOM 0 HA THR A 30 -4.003 4.946 -31.137 1.00 71.54 H new ATOM 0 HB THR A 30 -6.191 5.015 -29.972 1.00 64.40 H new ATOM 0 HG1 THR A 30 -4.897 3.487 -27.905 1.00 50.30 H new ATOM 0 HG21 THR A 30 -6.630 2.588 -29.947 1.00 61.54 H new ATOM 0 HG22 THR A 30 -5.636 3.063 -31.346 1.00 61.54 H new ATOM 0 HG23 THR A 30 -4.877 2.276 -29.941 1.00 61.54 H new ATOM 502 N PHE A 31 -3.159 6.405 -28.372 1.00 42.12 N ATOM 503 CA PHE A 31 -2.934 7.691 -27.723 1.00 44.54 C ATOM 504 C PHE A 31 -1.687 8.371 -28.281 1.00 44.14 C ATOM 505 O PHE A 31 -0.723 7.707 -28.662 1.00 74.20 O ATOM 506 CB PHE A 31 -2.794 7.506 -26.211 1.00 43.30 C ATOM 507 CG PHE A 31 -3.844 6.612 -25.617 1.00 22.21 C ATOM 508 CD1 PHE A 31 -5.155 6.672 -26.060 1.00 33.10 C ATOM 509 CD2 PHE A 31 -3.520 5.710 -24.616 1.00 5.51 C ATOM 510 CE1 PHE A 31 -6.124 5.850 -25.514 1.00 44.44 C ATOM 511 CE2 PHE A 31 -4.484 4.886 -24.067 1.00 4.13 C ATOM 512 CZ PHE A 31 -5.787 4.956 -24.517 1.00 71.44 C ATOM 0 H PHE A 31 -2.710 5.615 -27.909 1.00 42.12 H new ATOM 0 HA PHE A 31 -3.795 8.327 -27.926 1.00 44.54 H new ATOM 0 HB2 PHE A 31 -1.810 7.091 -25.993 1.00 43.30 H new ATOM 0 HB3 PHE A 31 -2.843 8.482 -25.728 1.00 43.30 H new ATOM 0 HD1 PHE A 31 -5.424 7.368 -26.841 1.00 33.10 H new ATOM 0 HD2 PHE A 31 -2.502 5.650 -24.261 1.00 5.51 H new ATOM 0 HE1 PHE A 31 -7.143 5.907 -25.867 1.00 44.44 H new ATOM 0 HE2 PHE A 31 -4.218 4.188 -23.287 1.00 4.13 H new ATOM 0 HZ PHE A 31 -6.542 4.312 -24.090 1.00 71.44 H new ATOM 522 N GLU A 32 -1.714 9.699 -28.327 1.00 10.51 N ATOM 523 CA GLU A 32 -0.587 10.469 -28.840 1.00 4.03 C ATOM 524 C GLU A 32 -0.315 11.687 -27.962 1.00 11.33 C ATOM 525 O GLU A 32 -1.197 12.518 -27.745 1.00 43.13 O ATOM 526 CB GLU A 32 -0.856 10.914 -30.279 1.00 34.33 C ATOM 527 CG GLU A 32 -0.829 9.774 -31.283 1.00 61.02 C ATOM 528 CD GLU A 32 0.427 9.776 -32.133 1.00 70.40 C ATOM 529 OE1 GLU A 32 0.576 10.689 -32.971 1.00 53.03 O ATOM 530 OE2 GLU A 32 1.261 8.863 -31.959 1.00 64.31 O ATOM 0 H GLU A 32 -2.504 10.264 -28.015 1.00 10.51 H new ATOM 0 HA GLU A 32 0.294 9.827 -28.825 1.00 4.03 H new ATOM 0 HB2 GLU A 32 -1.829 11.403 -30.323 1.00 34.33 H new ATOM 0 HB3 GLU A 32 -0.112 11.657 -30.566 1.00 34.33 H new ATOM 0 HG2 GLU A 32 -0.902 8.825 -30.752 1.00 61.02 H new ATOM 0 HG3 GLU A 32 -1.702 9.845 -31.931 1.00 61.02 H new ATOM 537 N MET A 33 0.911 11.785 -27.459 1.00 1.33 N ATOM 538 CA MET A 33 1.299 12.902 -26.605 1.00 24.12 C ATOM 539 C MET A 33 0.960 14.235 -27.264 1.00 74.45 C ATOM 540 O MET A 33 1.439 14.538 -28.357 1.00 3.01 O ATOM 541 CB MET A 33 2.797 12.839 -26.296 1.00 54.23 C ATOM 542 CG MET A 33 3.186 13.576 -25.025 1.00 45.23 C ATOM 543 SD MET A 33 4.852 14.263 -25.104 1.00 32.02 S ATOM 544 CE MET A 33 4.765 15.509 -23.820 1.00 40.11 C ATOM 0 H MET A 33 1.652 11.105 -27.628 1.00 1.33 H new ATOM 0 HA MET A 33 0.739 12.825 -25.673 1.00 24.12 H new ATOM 0 HB2 MET A 33 3.098 11.795 -26.208 1.00 54.23 H new ATOM 0 HB3 MET A 33 3.351 13.261 -27.135 1.00 54.23 H new ATOM 0 HG2 MET A 33 2.473 14.381 -24.843 1.00 45.23 H new ATOM 0 HG3 MET A 33 3.118 12.893 -24.178 1.00 45.23 H new ATOM 0 HE1 MET A 33 5.770 15.733 -23.461 1.00 40.11 H new ATOM 0 HE2 MET A 33 4.313 16.416 -24.223 1.00 40.11 H new ATOM 0 HE3 MET A 33 4.159 15.138 -22.993 1.00 40.11 H new ATOM 554 N VAL A 34 0.129 15.027 -26.594 1.00 70.02 N ATOM 555 CA VAL A 34 -0.274 16.328 -27.115 1.00 72.43 C ATOM 556 C VAL A 34 0.481 17.456 -26.421 1.00 73.33 C ATOM 557 O VAL A 34 0.628 18.547 -26.969 1.00 50.32 O ATOM 558 CB VAL A 34 -1.788 16.556 -26.944 1.00 42.21 C ATOM 559 CG1 VAL A 34 -2.172 16.513 -25.473 1.00 25.51 C ATOM 560 CG2 VAL A 34 -2.201 17.879 -27.572 1.00 61.44 C ATOM 0 H VAL A 34 -0.278 14.790 -25.689 1.00 70.02 H new ATOM 0 HA VAL A 34 -0.031 16.333 -28.178 1.00 72.43 H new ATOM 0 HB VAL A 34 -2.319 15.754 -27.457 1.00 42.21 H new ATOM 0 HG11 VAL A 34 -3.245 16.676 -25.372 1.00 25.51 H new ATOM 0 HG12 VAL A 34 -1.912 15.539 -25.057 1.00 25.51 H new ATOM 0 HG13 VAL A 34 -1.634 17.293 -24.934 1.00 25.51 H new ATOM 0 HG21 VAL A 34 -3.273 18.024 -27.442 1.00 61.44 H new ATOM 0 HG22 VAL A 34 -1.663 18.695 -27.089 1.00 61.44 H new ATOM 0 HG23 VAL A 34 -1.963 17.867 -28.636 1.00 61.44 H new ATOM 570 N GLY A 35 0.958 17.184 -25.211 1.00 24.25 N ATOM 571 CA GLY A 35 1.693 18.186 -24.461 1.00 22.22 C ATOM 572 C GLY A 35 1.907 17.786 -23.014 1.00 41.33 C ATOM 573 O GLY A 35 1.692 16.632 -22.642 1.00 42.21 O ATOM 0 H GLY A 35 0.849 16.288 -24.736 1.00 24.25 H new ATOM 0 HA2 GLY A 35 2.660 18.353 -24.935 1.00 22.22 H new ATOM 0 HA3 GLY A 35 1.152 19.132 -24.497 1.00 22.22 H new ATOM 577 N THR A 36 2.333 18.742 -22.195 1.00 5.34 N ATOM 578 CA THR A 36 2.580 18.484 -20.782 1.00 35.14 C ATOM 579 C THR A 36 2.364 19.741 -19.947 1.00 41.31 C ATOM 580 O THR A 36 2.498 20.860 -20.445 1.00 74.13 O ATOM 581 CB THR A 36 4.010 17.964 -20.546 1.00 44.23 C ATOM 582 OG1 THR A 36 4.895 18.500 -21.536 1.00 43.52 O ATOM 583 CG2 THR A 36 4.049 16.444 -20.595 1.00 12.25 C ATOM 0 H THR A 36 2.514 19.703 -22.486 1.00 5.34 H new ATOM 0 HA THR A 36 1.868 17.719 -20.473 1.00 35.14 H new ATOM 0 HB THR A 36 4.332 18.288 -19.556 1.00 44.23 H new ATOM 0 HG1 THR A 36 5.419 17.774 -21.934 1.00 43.52 H new ATOM 0 HG21 THR A 36 5.070 16.101 -20.426 1.00 12.25 H new ATOM 0 HG22 THR A 36 3.397 16.038 -19.822 1.00 12.25 H new ATOM 0 HG23 THR A 36 3.709 16.103 -21.573 1.00 12.25 H new ATOM 591 N LEU A 37 2.031 19.552 -18.675 1.00 60.42 N ATOM 592 CA LEU A 37 1.798 20.672 -17.770 1.00 72.41 C ATOM 593 C LEU A 37 2.794 20.655 -16.615 1.00 34.31 C ATOM 594 O LEU A 37 3.125 19.595 -16.083 1.00 15.11 O ATOM 595 CB LEU A 37 0.368 20.625 -17.227 1.00 45.02 C ATOM 596 CG LEU A 37 -0.095 21.858 -16.450 1.00 61.22 C ATOM 597 CD1 LEU A 37 0.480 21.849 -15.042 1.00 70.33 C ATOM 598 CD2 LEU A 37 0.303 23.131 -17.183 1.00 25.33 C ATOM 0 H LEU A 37 1.916 18.633 -18.247 1.00 60.42 H new ATOM 0 HA LEU A 37 1.937 21.596 -18.331 1.00 72.41 H new ATOM 0 HB2 LEU A 37 -0.313 20.471 -18.064 1.00 45.02 H new ATOM 0 HB3 LEU A 37 0.276 19.755 -16.577 1.00 45.02 H new ATOM 0 HG LEU A 37 -1.182 21.830 -16.376 1.00 61.22 H new ATOM 0 HD11 LEU A 37 0.140 22.734 -14.504 1.00 70.33 H new ATOM 0 HD12 LEU A 37 0.144 20.954 -14.518 1.00 70.33 H new ATOM 0 HD13 LEU A 37 1.569 21.852 -15.094 1.00 70.33 H new ATOM 0 HD21 LEU A 37 -0.035 23.998 -16.616 1.00 25.33 H new ATOM 0 HD22 LEU A 37 1.387 23.166 -17.289 1.00 25.33 H new ATOM 0 HD23 LEU A 37 -0.158 23.142 -18.171 1.00 25.33 H new ATOM 610 N SER A 38 3.266 21.836 -16.230 1.00 42.14 N ATOM 611 CA SER A 38 4.225 21.957 -15.139 1.00 5.12 C ATOM 612 C SER A 38 3.912 23.173 -14.272 1.00 51.03 C ATOM 613 O SER A 38 3.838 24.298 -14.765 1.00 72.44 O ATOM 614 CB SER A 38 5.648 22.064 -15.691 1.00 61.34 C ATOM 615 OG SER A 38 6.063 23.416 -15.774 1.00 2.12 O ATOM 0 H SER A 38 3.000 22.723 -16.658 1.00 42.14 H new ATOM 0 HA SER A 38 4.149 21.062 -14.521 1.00 5.12 H new ATOM 0 HB2 SER A 38 6.333 21.509 -15.050 1.00 61.34 H new ATOM 0 HB3 SER A 38 5.694 21.605 -16.679 1.00 61.34 H new ATOM 0 HG SER A 38 5.276 23.998 -15.809 1.00 2.12 H new ATOM 621 N ASN A 39 3.729 22.937 -12.977 1.00 55.32 N ATOM 622 CA ASN A 39 3.422 24.012 -12.041 1.00 1.44 C ATOM 623 C ASN A 39 3.669 23.568 -10.602 1.00 73.52 C ATOM 624 O ASN A 39 4.180 22.475 -10.359 1.00 32.13 O ATOM 625 CB ASN A 39 1.969 24.462 -12.205 1.00 71.23 C ATOM 626 CG ASN A 39 0.984 23.336 -11.954 1.00 52.44 C ATOM 627 OD1 ASN A 39 1.376 22.189 -11.744 1.00 20.40 O ATOM 628 ND2 ASN A 39 -0.304 23.661 -11.976 1.00 4.41 N ATOM 0 H ASN A 39 3.788 22.012 -12.552 1.00 55.32 H new ATOM 0 HA ASN A 39 4.082 24.851 -12.262 1.00 1.44 H new ATOM 0 HB2 ASN A 39 1.765 25.281 -11.515 1.00 71.23 H new ATOM 0 HB3 ASN A 39 1.823 24.851 -13.213 1.00 71.23 H new ATOM 0 HD21 ASN A 39 -1.013 22.946 -11.815 1.00 4.41 H new ATOM 0 HD22 ASN A 39 -0.584 24.626 -12.154 1.00 4.41 H new ATOM 635 N ALA A 40 3.301 24.422 -9.653 1.00 51.00 N ATOM 636 CA ALA A 40 3.479 24.116 -8.239 1.00 44.31 C ATOM 637 C ALA A 40 2.877 22.759 -7.891 1.00 3.45 C ATOM 638 O ALA A 40 3.391 22.045 -7.030 1.00 2.51 O ATOM 639 CB ALA A 40 2.858 25.208 -7.381 1.00 31.15 C ATOM 0 H ALA A 40 2.878 25.331 -9.838 1.00 51.00 H new ATOM 0 HA ALA A 40 4.549 24.072 -8.033 1.00 44.31 H new ATOM 0 HB1 ALA A 40 2.998 24.967 -6.327 1.00 31.15 H new ATOM 0 HB2 ALA A 40 3.338 26.161 -7.602 1.00 31.15 H new ATOM 0 HB3 ALA A 40 1.792 25.279 -7.598 1.00 31.15 H new ATOM 645 N GLN A 41 1.786 22.411 -8.564 1.00 34.01 N ATOM 646 CA GLN A 41 1.113 21.140 -8.323 1.00 64.31 C ATOM 647 C GLN A 41 2.000 19.969 -8.733 1.00 64.32 C ATOM 648 O GLN A 41 1.965 18.905 -8.117 1.00 21.41 O ATOM 649 CB GLN A 41 -0.210 21.085 -9.089 1.00 3.22 C ATOM 650 CG GLN A 41 -1.234 22.099 -8.605 1.00 74.25 C ATOM 651 CD GLN A 41 -2.580 21.937 -9.284 1.00 34.32 C ATOM 652 OE1 GLN A 41 -2.879 20.887 -9.855 1.00 4.24 O ATOM 653 NE2 GLN A 41 -3.403 22.978 -9.225 1.00 25.11 N ATOM 0 H GLN A 41 1.349 22.991 -9.280 1.00 34.01 H new ATOM 0 HA GLN A 41 0.909 21.062 -7.255 1.00 64.31 H new ATOM 0 HB2 GLN A 41 -0.015 21.255 -10.148 1.00 3.22 H new ATOM 0 HB3 GLN A 41 -0.631 20.084 -8.999 1.00 3.22 H new ATOM 0 HG2 GLN A 41 -1.360 21.997 -7.527 1.00 74.25 H new ATOM 0 HG3 GLN A 41 -0.858 23.106 -8.788 1.00 74.25 H new ATOM 0 HE21 GLN A 41 -3.115 23.829 -8.742 1.00 25.11 H new ATOM 0 HE22 GLN A 41 -4.323 22.926 -9.663 1.00 25.11 H new ATOM 662 N GLY A 42 2.796 20.173 -9.779 1.00 73.32 N ATOM 663 CA GLY A 42 3.680 19.125 -10.254 1.00 23.10 C ATOM 664 C GLY A 42 3.783 19.094 -11.766 1.00 71.30 C ATOM 665 O GLY A 42 3.438 20.065 -12.440 1.00 42.01 O ATOM 0 H GLY A 42 2.844 21.045 -10.305 1.00 73.32 H new ATOM 0 HA2 GLY A 42 4.673 19.271 -9.828 1.00 23.10 H new ATOM 0 HA3 GLY A 42 3.319 18.160 -9.898 1.00 23.10 H new ATOM 669 N THR A 43 4.260 17.975 -12.302 1.00 61.34 N ATOM 670 CA THR A 43 4.410 17.822 -13.744 1.00 21.40 C ATOM 671 C THR A 43 3.466 16.754 -14.285 1.00 12.12 C ATOM 672 O THR A 43 3.690 15.559 -14.095 1.00 65.42 O ATOM 673 CB THR A 43 5.856 17.451 -14.122 1.00 25.50 C ATOM 674 OG1 THR A 43 6.779 18.232 -13.355 1.00 22.23 O ATOM 675 CG2 THR A 43 6.103 17.678 -15.606 1.00 22.42 C ATOM 0 H THR A 43 4.549 17.161 -11.759 1.00 61.34 H new ATOM 0 HA THR A 43 4.160 18.784 -14.191 1.00 21.40 H new ATOM 0 HB THR A 43 6.005 16.394 -13.902 1.00 25.50 H new ATOM 0 HG1 THR A 43 7.696 17.989 -13.600 1.00 22.23 H new ATOM 0 HG21 THR A 43 7.131 17.409 -15.849 1.00 22.42 H new ATOM 0 HG22 THR A 43 5.419 17.060 -16.187 1.00 22.42 H new ATOM 0 HG23 THR A 43 5.936 18.728 -15.846 1.00 22.42 H new ATOM 683 N PHE A 44 2.409 17.193 -14.960 1.00 15.03 N ATOM 684 CA PHE A 44 1.429 16.274 -15.528 1.00 42.33 C ATOM 685 C PHE A 44 1.683 16.062 -17.018 1.00 23.02 C ATOM 686 O PHE A 44 2.380 16.849 -17.658 1.00 24.33 O ATOM 687 CB PHE A 44 0.012 16.808 -15.312 1.00 53.53 C ATOM 688 CG PHE A 44 -0.269 17.205 -13.891 1.00 75.31 C ATOM 689 CD1 PHE A 44 0.114 18.449 -13.416 1.00 74.31 C ATOM 690 CD2 PHE A 44 -0.917 16.333 -13.030 1.00 53.53 C ATOM 691 CE1 PHE A 44 -0.143 18.815 -12.108 1.00 53.35 C ATOM 692 CE2 PHE A 44 -1.177 16.695 -11.722 1.00 33.23 C ATOM 693 CZ PHE A 44 -0.791 17.938 -11.261 1.00 24.24 C ATOM 0 H PHE A 44 2.209 18.179 -15.127 1.00 15.03 H new ATOM 0 HA PHE A 44 1.530 15.315 -15.019 1.00 42.33 H new ATOM 0 HB2 PHE A 44 -0.145 17.671 -15.960 1.00 53.53 H new ATOM 0 HB3 PHE A 44 -0.705 16.046 -15.616 1.00 53.53 H new ATOM 0 HD1 PHE A 44 0.619 19.140 -14.075 1.00 74.31 H new ATOM 0 HD2 PHE A 44 -1.222 15.360 -13.385 1.00 53.53 H new ATOM 0 HE1 PHE A 44 0.163 19.786 -11.749 1.00 53.35 H new ATOM 0 HE2 PHE A 44 -1.682 16.006 -11.061 1.00 33.23 H new ATOM 0 HZ PHE A 44 -0.996 18.224 -10.240 1.00 24.24 H new ATOM 703 N ALA A 45 1.113 14.992 -17.563 1.00 12.43 N ATOM 704 CA ALA A 45 1.276 14.677 -18.976 1.00 74.53 C ATOM 705 C ALA A 45 -0.050 14.793 -19.721 1.00 41.22 C ATOM 706 O ALA A 45 -1.057 14.214 -19.312 1.00 21.21 O ATOM 707 CB ALA A 45 1.855 13.279 -19.142 1.00 10.35 C ATOM 0 H ALA A 45 0.534 14.329 -17.047 1.00 12.43 H new ATOM 0 HA ALA A 45 1.970 15.400 -19.406 1.00 74.53 H new ATOM 0 HB1 ALA A 45 1.971 13.057 -20.203 1.00 10.35 H new ATOM 0 HB2 ALA A 45 2.827 13.227 -18.652 1.00 10.35 H new ATOM 0 HB3 ALA A 45 1.182 12.550 -18.691 1.00 10.35 H new ATOM 713 N LEU A 46 -0.044 15.546 -20.816 1.00 23.32 N ATOM 714 CA LEU A 46 -1.247 15.739 -21.618 1.00 44.12 C ATOM 715 C LEU A 46 -1.205 14.879 -22.878 1.00 11.55 C ATOM 716 O LEU A 46 -0.350 15.068 -23.743 1.00 11.40 O ATOM 717 CB LEU A 46 -1.399 17.213 -21.998 1.00 3.12 C ATOM 718 CG LEU A 46 -1.169 18.223 -20.873 1.00 13.01 C ATOM 719 CD1 LEU A 46 -1.457 19.636 -21.357 1.00 34.32 C ATOM 720 CD2 LEU A 46 -2.033 17.884 -19.667 1.00 73.30 C ATOM 0 H LEU A 46 0.780 16.033 -21.168 1.00 23.32 H new ATOM 0 HA LEU A 46 -2.106 15.434 -21.020 1.00 44.12 H new ATOM 0 HB2 LEU A 46 -0.701 17.433 -22.805 1.00 3.12 H new ATOM 0 HB3 LEU A 46 -2.403 17.364 -22.395 1.00 3.12 H new ATOM 0 HG LEU A 46 -0.123 18.170 -20.572 1.00 13.01 H new ATOM 0 HD11 LEU A 46 -1.288 20.341 -20.543 1.00 34.32 H new ATOM 0 HD12 LEU A 46 -0.796 19.877 -22.189 1.00 34.32 H new ATOM 0 HD13 LEU A 46 -2.494 19.704 -21.686 1.00 34.32 H new ATOM 0 HD21 LEU A 46 -1.856 18.613 -18.876 1.00 73.30 H new ATOM 0 HD22 LEU A 46 -3.084 17.908 -19.954 1.00 73.30 H new ATOM 0 HD23 LEU A 46 -1.778 16.888 -19.305 1.00 73.30 H new ATOM 732 N VAL A 47 -2.136 13.935 -22.975 1.00 1.55 N ATOM 733 CA VAL A 47 -2.208 13.049 -24.130 1.00 31.24 C ATOM 734 C VAL A 47 -3.568 13.144 -24.812 1.00 12.34 C ATOM 735 O VAL A 47 -4.554 13.557 -24.201 1.00 12.33 O ATOM 736 CB VAL A 47 -1.948 11.584 -23.730 1.00 11.20 C ATOM 737 CG1 VAL A 47 -3.126 11.028 -22.944 1.00 63.12 C ATOM 738 CG2 VAL A 47 -1.671 10.737 -24.963 1.00 14.02 C ATOM 0 H VAL A 47 -2.851 13.765 -22.267 1.00 1.55 H new ATOM 0 HA VAL A 47 -1.433 13.372 -24.825 1.00 31.24 H new ATOM 0 HB VAL A 47 -1.067 11.551 -23.089 1.00 11.20 H new ATOM 0 HG11 VAL A 47 -2.924 9.992 -22.670 1.00 63.12 H new ATOM 0 HG12 VAL A 47 -3.273 11.620 -22.041 1.00 63.12 H new ATOM 0 HG13 VAL A 47 -4.026 11.072 -23.557 1.00 63.12 H new ATOM 0 HG21 VAL A 47 -1.489 9.705 -24.662 1.00 14.02 H new ATOM 0 HG22 VAL A 47 -2.532 10.774 -25.631 1.00 14.02 H new ATOM 0 HG23 VAL A 47 -0.793 11.124 -25.480 1.00 14.02 H new ATOM 748 N LYS A 48 -3.615 12.759 -26.082 1.00 40.14 N ATOM 749 CA LYS A 48 -4.854 12.799 -26.849 1.00 74.23 C ATOM 750 C LYS A 48 -5.119 11.457 -27.525 1.00 54.20 C ATOM 751 O LYS A 48 -4.204 10.824 -28.050 1.00 14.11 O ATOM 752 CB LYS A 48 -4.792 13.908 -27.902 1.00 1.35 C ATOM 753 CG LYS A 48 -6.068 14.050 -28.713 1.00 31.22 C ATOM 754 CD LYS A 48 -6.044 13.166 -29.949 1.00 12.04 C ATOM 755 CE LYS A 48 -6.886 13.754 -31.071 1.00 34.34 C ATOM 756 NZ LYS A 48 -6.497 13.209 -32.401 1.00 23.35 N ATOM 0 H LYS A 48 -2.808 12.415 -26.603 1.00 40.14 H new ATOM 0 HA LYS A 48 -5.672 13.007 -26.159 1.00 74.23 H new ATOM 0 HB2 LYS A 48 -4.579 14.856 -27.407 1.00 1.35 H new ATOM 0 HB3 LYS A 48 -3.962 13.708 -28.579 1.00 1.35 H new ATOM 0 HG2 LYS A 48 -6.925 13.787 -28.093 1.00 31.22 H new ATOM 0 HG3 LYS A 48 -6.197 15.090 -29.011 1.00 31.22 H new ATOM 0 HD2 LYS A 48 -5.016 13.043 -30.290 1.00 12.04 H new ATOM 0 HD3 LYS A 48 -6.416 12.173 -29.695 1.00 12.04 H new ATOM 0 HE2 LYS A 48 -7.939 13.541 -30.885 1.00 34.34 H new ATOM 0 HE3 LYS A 48 -6.777 14.838 -31.077 1.00 34.34 H new ATOM 0 HZ1 LYS A 48 -7.094 13.634 -33.139 1.00 23.35 H new ATOM 0 HZ2 LYS A 48 -5.499 13.434 -32.590 1.00 23.35 H new ATOM 0 HZ3 LYS A 48 -6.625 12.177 -32.404 1.00 23.35 H new ATOM 770 N GLY A 49 -6.379 11.030 -27.509 1.00 65.03 N ATOM 771 CA GLY A 49 -6.741 9.767 -28.125 1.00 20.21 C ATOM 772 C GLY A 49 -8.152 9.336 -27.777 1.00 51.11 C ATOM 773 O GLY A 49 -8.873 10.051 -27.082 1.00 1.31 O ATOM 0 H GLY A 49 -7.154 11.536 -27.081 1.00 65.03 H new ATOM 0 HA2 GLY A 49 -6.648 9.854 -29.207 1.00 20.21 H new ATOM 0 HA3 GLY A 49 -6.040 8.996 -27.806 1.00 20.21 H new ATOM 777 N ALA A 50 -8.548 8.164 -28.263 1.00 52.31 N ATOM 778 CA ALA A 50 -9.882 7.640 -27.999 1.00 72.54 C ATOM 779 C ALA A 50 -10.952 8.687 -28.289 1.00 44.24 C ATOM 780 O ALA A 50 -12.023 8.679 -27.684 1.00 44.31 O ATOM 781 CB ALA A 50 -9.986 7.161 -26.559 1.00 0.43 C ATOM 0 H ALA A 50 -7.964 7.560 -28.841 1.00 52.31 H new ATOM 0 HA ALA A 50 -10.050 6.794 -28.665 1.00 72.54 H new ATOM 0 HB1 ALA A 50 -10.988 6.772 -26.376 1.00 0.43 H new ATOM 0 HB2 ALA A 50 -9.254 6.373 -26.384 1.00 0.43 H new ATOM 0 HB3 ALA A 50 -9.791 7.994 -25.884 1.00 0.43 H new ATOM 787 N GLY A 51 -10.653 9.589 -29.220 1.00 11.45 N ATOM 788 CA GLY A 51 -11.599 10.632 -29.573 1.00 31.35 C ATOM 789 C GLY A 51 -11.766 11.660 -28.472 1.00 10.33 C ATOM 790 O GLY A 51 -12.870 12.143 -28.226 1.00 54.52 O ATOM 0 H GLY A 51 -9.773 9.616 -29.735 1.00 11.45 H new ATOM 0 HA2 GLY A 51 -11.263 11.130 -30.483 1.00 31.35 H new ATOM 0 HA3 GLY A 51 -12.566 10.181 -29.795 1.00 31.35 H new ATOM 794 N GLY A 52 -10.665 11.995 -27.805 1.00 15.41 N ATOM 795 CA GLY A 52 -10.717 12.970 -26.731 1.00 22.34 C ATOM 796 C GLY A 52 -9.351 13.250 -26.136 1.00 43.15 C ATOM 797 O GLY A 52 -8.339 12.739 -26.618 1.00 14.30 O ATOM 0 H GLY A 52 -9.739 11.609 -27.989 1.00 15.41 H new ATOM 0 HA2 GLY A 52 -11.143 13.900 -27.109 1.00 22.34 H new ATOM 0 HA3 GLY A 52 -11.384 12.609 -25.948 1.00 22.34 H new ATOM 801 N VAL A 53 -9.319 14.066 -25.087 1.00 74.14 N ATOM 802 CA VAL A 53 -8.067 14.414 -24.427 1.00 11.21 C ATOM 803 C VAL A 53 -7.996 13.808 -23.030 1.00 3.53 C ATOM 804 O VAL A 53 -8.978 13.815 -22.287 1.00 73.05 O ATOM 805 CB VAL A 53 -7.894 15.941 -24.322 1.00 43.10 C ATOM 806 CG1 VAL A 53 -7.471 16.524 -25.662 1.00 25.12 C ATOM 807 CG2 VAL A 53 -9.179 16.590 -23.831 1.00 3.31 C ATOM 0 H VAL A 53 -10.146 14.498 -24.676 1.00 74.14 H new ATOM 0 HA VAL A 53 -7.262 14.006 -25.038 1.00 11.21 H new ATOM 0 HB VAL A 53 -7.108 16.151 -23.597 1.00 43.10 H new ATOM 0 HG11 VAL A 53 -7.354 17.604 -25.568 1.00 25.12 H new ATOM 0 HG12 VAL A 53 -6.523 16.081 -25.969 1.00 25.12 H new ATOM 0 HG13 VAL A 53 -8.233 16.305 -26.411 1.00 25.12 H new ATOM 0 HG21 VAL A 53 -9.039 17.669 -23.763 1.00 3.31 H new ATOM 0 HG22 VAL A 53 -9.987 16.373 -24.530 1.00 3.31 H new ATOM 0 HG23 VAL A 53 -9.434 16.194 -22.848 1.00 3.31 H new ATOM 817 N HIS A 54 -6.826 13.285 -22.677 1.00 2.35 N ATOM 818 CA HIS A 54 -6.625 12.676 -21.367 1.00 32.23 C ATOM 819 C HIS A 54 -5.445 13.318 -20.644 1.00 13.25 C ATOM 820 O HIS A 54 -4.549 13.879 -21.274 1.00 70.03 O ATOM 821 CB HIS A 54 -6.392 11.172 -21.511 1.00 32.40 C ATOM 822 CG HIS A 54 -7.041 10.579 -22.724 1.00 32.44 C ATOM 823 ND1 HIS A 54 -6.403 9.685 -23.558 1.00 31.14 N ATOM 824 CD2 HIS A 54 -8.280 10.755 -23.240 1.00 62.32 C ATOM 825 CE1 HIS A 54 -7.221 9.338 -24.536 1.00 4.32 C ATOM 826 NE2 HIS A 54 -8.366 9.973 -24.366 1.00 53.21 N ATOM 0 H HIS A 54 -6.003 13.271 -23.280 1.00 2.35 H new ATOM 0 HA HIS A 54 -7.525 12.842 -20.775 1.00 32.23 H new ATOM 0 HB2 HIS A 54 -5.320 10.981 -21.553 1.00 32.40 H new ATOM 0 HB3 HIS A 54 -6.771 10.667 -20.623 1.00 32.40 H new ATOM 0 HD2 HIS A 54 -9.056 11.391 -22.841 1.00 62.32 H new ATOM 0 HE1 HIS A 54 -6.992 8.652 -25.338 1.00 4.32 H new ATOM 0 HE2 HIS A 54 -9.182 9.895 -24.973 1.00 53.21 H new ATOM 834 N ARG A 55 -5.453 13.233 -19.317 1.00 42.03 N ATOM 835 CA ARG A 55 -4.384 13.808 -18.509 1.00 34.33 C ATOM 836 C ARG A 55 -3.944 12.835 -17.419 1.00 32.14 C ATOM 837 O ARG A 55 -4.760 12.362 -16.628 1.00 34.43 O ATOM 838 CB ARG A 55 -4.845 15.123 -17.878 1.00 4.22 C ATOM 839 CG ARG A 55 -5.974 14.955 -16.874 1.00 41.25 C ATOM 840 CD ARG A 55 -6.534 16.299 -16.436 1.00 53.23 C ATOM 841 NE ARG A 55 -7.922 16.195 -15.993 1.00 50.43 N ATOM 842 CZ ARG A 55 -8.937 15.935 -16.810 1.00 63.01 C ATOM 843 NH1 ARG A 55 -8.719 15.752 -18.105 1.00 55.42 N ATOM 844 NH2 ARG A 55 -10.172 15.856 -16.332 1.00 2.14 N ATOM 0 H ARG A 55 -6.187 12.772 -18.780 1.00 42.03 H new ATOM 0 HA ARG A 55 -3.534 14.004 -19.162 1.00 34.33 H new ATOM 0 HB2 ARG A 55 -3.997 15.595 -17.382 1.00 4.22 H new ATOM 0 HB3 ARG A 55 -5.170 15.800 -18.668 1.00 4.22 H new ATOM 0 HG2 ARG A 55 -6.769 14.355 -17.316 1.00 41.25 H new ATOM 0 HG3 ARG A 55 -5.610 14.410 -16.003 1.00 41.25 H new ATOM 0 HD2 ARG A 55 -5.924 16.699 -15.626 1.00 53.23 H new ATOM 0 HD3 ARG A 55 -6.469 17.006 -17.263 1.00 53.23 H new ATOM 0 HE ARG A 55 -8.123 16.329 -15.002 1.00 50.43 H new ATOM 0 HH11 ARG A 55 -7.771 15.811 -18.476 1.00 55.42 H new ATOM 0 HH12 ARG A 55 -9.500 15.552 -18.730 1.00 55.42 H new ATOM 0 HH21 ARG A 55 -10.343 15.995 -15.336 1.00 2.14 H new ATOM 0 HH22 ARG A 55 -10.950 15.656 -16.960 1.00 2.14 H new ATOM 858 N VAL A 56 -2.648 12.540 -17.383 1.00 55.44 N ATOM 859 CA VAL A 56 -2.099 11.625 -16.391 1.00 33.35 C ATOM 860 C VAL A 56 -0.713 12.071 -15.939 1.00 34.14 C ATOM 861 O VAL A 56 0.059 12.622 -16.723 1.00 61.42 O ATOM 862 CB VAL A 56 -2.010 10.189 -16.940 1.00 34.40 C ATOM 863 CG1 VAL A 56 -3.400 9.591 -17.101 1.00 51.31 C ATOM 864 CG2 VAL A 56 -1.257 10.170 -18.261 1.00 63.22 C ATOM 0 H VAL A 56 -1.959 12.922 -18.031 1.00 55.44 H new ATOM 0 HA VAL A 56 -2.778 11.639 -15.538 1.00 33.35 H new ATOM 0 HB VAL A 56 -1.459 9.579 -16.224 1.00 34.40 H new ATOM 0 HG11 VAL A 56 -3.317 8.576 -17.490 1.00 51.31 H new ATOM 0 HG12 VAL A 56 -3.901 9.569 -16.133 1.00 51.31 H new ATOM 0 HG13 VAL A 56 -3.980 10.199 -17.795 1.00 51.31 H new ATOM 0 HG21 VAL A 56 -1.203 9.147 -18.635 1.00 63.22 H new ATOM 0 HG22 VAL A 56 -1.779 10.794 -18.986 1.00 63.22 H new ATOM 0 HG23 VAL A 56 -0.248 10.554 -18.110 1.00 63.22 H new ATOM 874 N ARG A 57 -0.405 11.829 -14.669 1.00 2.13 N ATOM 875 CA ARG A 57 0.888 12.207 -14.112 1.00 25.35 C ATOM 876 C ARG A 57 1.634 10.982 -13.590 1.00 63.21 C ATOM 877 O ARG A 57 1.125 9.862 -13.644 1.00 1.31 O ATOM 878 CB ARG A 57 0.704 13.223 -12.983 1.00 44.45 C ATOM 879 CG ARG A 57 -0.421 12.872 -12.024 1.00 63.30 C ATOM 880 CD ARG A 57 -0.178 13.457 -10.642 1.00 3.22 C ATOM 881 NE ARG A 57 -1.421 13.631 -9.895 1.00 5.51 N ATOM 882 CZ ARG A 57 -1.466 14.001 -8.620 1.00 10.51 C ATOM 883 NH1 ARG A 57 -0.344 14.235 -7.954 1.00 1.34 N ATOM 884 NH2 ARG A 57 -2.636 14.139 -8.009 1.00 61.30 N ATOM 0 H ARG A 57 -1.033 11.373 -14.007 1.00 2.13 H new ATOM 0 HA ARG A 57 1.479 12.661 -14.908 1.00 25.35 H new ATOM 0 HB2 ARG A 57 1.636 13.303 -12.423 1.00 44.45 H new ATOM 0 HB3 ARG A 57 0.507 14.203 -13.417 1.00 44.45 H new ATOM 0 HG2 ARG A 57 -1.366 13.246 -12.418 1.00 63.30 H new ATOM 0 HG3 ARG A 57 -0.513 11.788 -11.951 1.00 63.30 H new ATOM 0 HD2 ARG A 57 0.492 12.803 -10.084 1.00 3.22 H new ATOM 0 HD3 ARG A 57 0.324 14.419 -10.739 1.00 3.22 H new ATOM 0 HE ARG A 57 -2.302 13.459 -10.379 1.00 5.51 H new ATOM 0 HH11 ARG A 57 0.557 14.131 -8.420 1.00 1.34 H new ATOM 0 HH12 ARG A 57 -0.382 14.519 -6.975 1.00 1.34 H new ATOM 0 HH21 ARG A 57 -3.502 13.961 -8.518 1.00 61.30 H new ATOM 0 HH22 ARG A 57 -2.670 14.423 -7.030 1.00 61.30 H new ATOM 898 N VAL A 58 2.844 11.202 -13.086 1.00 3.42 N ATOM 899 CA VAL A 58 3.660 10.117 -12.554 1.00 44.51 C ATOM 900 C VAL A 58 2.868 9.265 -11.570 1.00 35.02 C ATOM 901 O VAL A 58 2.423 9.750 -10.530 1.00 74.04 O ATOM 902 CB VAL A 58 4.921 10.656 -11.851 1.00 73.30 C ATOM 903 CG1 VAL A 58 5.810 9.508 -11.396 1.00 52.42 C ATOM 904 CG2 VAL A 58 5.682 11.599 -12.771 1.00 33.43 C ATOM 0 H VAL A 58 3.281 12.122 -13.035 1.00 3.42 H new ATOM 0 HA VAL A 58 3.960 9.502 -13.402 1.00 44.51 H new ATOM 0 HB VAL A 58 4.613 11.217 -10.969 1.00 73.30 H new ATOM 0 HG11 VAL A 58 6.696 9.907 -10.902 1.00 52.42 H new ATOM 0 HG12 VAL A 58 5.260 8.876 -10.699 1.00 52.42 H new ATOM 0 HG13 VAL A 58 6.112 8.917 -12.261 1.00 52.42 H new ATOM 0 HG21 VAL A 58 6.569 11.970 -12.258 1.00 33.43 H new ATOM 0 HG22 VAL A 58 5.981 11.065 -13.673 1.00 33.43 H new ATOM 0 HG23 VAL A 58 5.042 12.439 -13.042 1.00 33.43 H new ATOM 914 N GLY A 59 2.695 7.990 -11.905 1.00 32.11 N ATOM 915 CA GLY A 59 1.956 7.089 -11.040 1.00 14.12 C ATOM 916 C GLY A 59 0.641 6.647 -11.651 1.00 13.32 C ATOM 917 O GLY A 59 0.144 5.561 -11.353 1.00 32.03 O ATOM 0 H GLY A 59 3.054 7.565 -12.760 1.00 32.11 H new ATOM 0 HA2 GLY A 59 2.567 6.212 -10.827 1.00 14.12 H new ATOM 0 HA3 GLY A 59 1.763 7.582 -10.087 1.00 14.12 H new ATOM 921 N ASP A 60 0.075 7.491 -12.507 1.00 12.14 N ATOM 922 CA ASP A 60 -1.191 7.182 -13.161 1.00 14.12 C ATOM 923 C ASP A 60 -1.039 5.995 -14.106 1.00 61.43 C ATOM 924 O ASP A 60 0.045 5.426 -14.235 1.00 24.32 O ATOM 925 CB ASP A 60 -1.703 8.401 -13.931 1.00 22.41 C ATOM 926 CG ASP A 60 -2.411 9.397 -13.034 1.00 3.01 C ATOM 927 OD1 ASP A 60 -2.282 9.279 -11.797 1.00 63.42 O ATOM 928 OD2 ASP A 60 -3.093 10.296 -13.569 1.00 22.34 O ATOM 0 H ASP A 60 0.473 8.394 -12.764 1.00 12.14 H new ATOM 0 HA ASP A 60 -1.915 6.919 -12.390 1.00 14.12 H new ATOM 0 HB2 ASP A 60 -0.865 8.893 -14.425 1.00 22.41 H new ATOM 0 HB3 ASP A 60 -2.386 8.072 -14.714 1.00 22.41 H new ATOM 933 N TYR A 61 -2.132 5.625 -14.765 1.00 2.32 N ATOM 934 CA TYR A 61 -2.121 4.503 -15.696 1.00 4.22 C ATOM 935 C TYR A 61 -2.940 4.822 -16.943 1.00 30.33 C ATOM 936 O TYR A 61 -3.876 5.621 -16.898 1.00 1.32 O ATOM 937 CB TYR A 61 -2.669 3.246 -15.019 1.00 12.12 C ATOM 938 CG TYR A 61 -1.939 2.875 -13.748 1.00 63.10 C ATOM 939 CD1 TYR A 61 -2.202 3.535 -12.554 1.00 25.30 C ATOM 940 CD2 TYR A 61 -0.986 1.863 -13.742 1.00 11.35 C ATOM 941 CE1 TYR A 61 -1.536 3.199 -11.391 1.00 42.30 C ATOM 942 CE2 TYR A 61 -0.317 1.520 -12.583 1.00 4.11 C ATOM 943 CZ TYR A 61 -0.595 2.191 -11.410 1.00 45.34 C ATOM 944 OH TYR A 61 0.070 1.853 -10.254 1.00 13.23 O ATOM 0 H TYR A 61 -3.037 6.086 -14.671 1.00 2.32 H new ATOM 0 HA TYR A 61 -1.089 4.324 -15.998 1.00 4.22 H new ATOM 0 HB2 TYR A 61 -3.724 3.397 -14.791 1.00 12.12 H new ATOM 0 HB3 TYR A 61 -2.610 2.412 -15.718 1.00 12.12 H new ATOM 0 HD1 TYR A 61 -2.939 4.324 -12.535 1.00 25.30 H new ATOM 0 HD2 TYR A 61 -0.765 1.336 -14.659 1.00 11.35 H new ATOM 0 HE1 TYR A 61 -1.751 3.723 -10.472 1.00 42.30 H new ATOM 0 HE2 TYR A 61 0.420 0.731 -12.595 1.00 4.11 H new ATOM 0 HH TYR A 61 0.306 0.902 -10.278 1.00 13.23 H new ATOM 954 N LEU A 62 -2.582 4.190 -18.055 1.00 61.00 N ATOM 955 CA LEU A 62 -3.283 4.404 -19.316 1.00 73.01 C ATOM 956 C LEU A 62 -3.126 3.199 -20.238 1.00 42.11 C ATOM 957 O LEU A 62 -2.155 2.450 -20.137 1.00 72.01 O ATOM 958 CB LEU A 62 -2.757 5.662 -20.008 1.00 43.42 C ATOM 959 CG LEU A 62 -3.345 6.989 -19.527 1.00 12.21 C ATOM 960 CD1 LEU A 62 -2.713 8.155 -20.272 1.00 33.22 C ATOM 961 CD2 LEU A 62 -4.857 6.997 -19.703 1.00 44.55 C ATOM 0 H LEU A 62 -1.810 3.525 -18.109 1.00 61.00 H new ATOM 0 HA LEU A 62 -4.343 4.534 -19.096 1.00 73.01 H new ATOM 0 HB2 LEU A 62 -1.675 5.699 -19.878 1.00 43.42 H new ATOM 0 HB3 LEU A 62 -2.946 5.570 -21.077 1.00 43.42 H new ATOM 0 HG LEU A 62 -3.122 7.100 -18.466 1.00 12.21 H new ATOM 0 HD11 LEU A 62 -3.144 9.091 -19.916 1.00 33.22 H new ATOM 0 HD12 LEU A 62 -1.638 8.160 -20.094 1.00 33.22 H new ATOM 0 HD13 LEU A 62 -2.904 8.051 -21.340 1.00 33.22 H new ATOM 0 HD21 LEU A 62 -5.259 7.949 -19.356 1.00 44.55 H new ATOM 0 HD22 LEU A 62 -5.101 6.863 -20.757 1.00 44.55 H new ATOM 0 HD23 LEU A 62 -5.295 6.185 -19.123 1.00 44.55 H new ATOM 973 N GLY A 63 -4.087 3.020 -21.139 1.00 71.12 N ATOM 974 CA GLY A 63 -4.035 1.906 -22.068 1.00 32.13 C ATOM 975 C GLY A 63 -4.501 0.607 -21.441 1.00 23.41 C ATOM 976 O GLY A 63 -4.633 0.511 -20.221 1.00 31.33 O ATOM 0 H GLY A 63 -4.901 3.626 -21.242 1.00 71.12 H new ATOM 0 HA2 GLY A 63 -4.656 2.131 -22.935 1.00 32.13 H new ATOM 0 HA3 GLY A 63 -3.014 1.786 -22.430 1.00 32.13 H new ATOM 980 N ARG A 64 -4.751 -0.395 -22.277 1.00 74.51 N ATOM 981 CA ARG A 64 -5.208 -1.694 -21.798 1.00 21.52 C ATOM 982 C ARG A 64 -4.024 -2.597 -21.462 1.00 11.21 C ATOM 983 O ARG A 64 -4.197 -3.776 -21.156 1.00 41.32 O ATOM 984 CB ARG A 64 -6.094 -2.367 -22.848 1.00 64.13 C ATOM 985 CG ARG A 64 -7.559 -1.974 -22.752 1.00 4.21 C ATOM 986 CD ARG A 64 -8.393 -2.670 -23.815 1.00 74.12 C ATOM 987 NE ARG A 64 -8.252 -4.123 -23.758 1.00 12.44 N ATOM 988 CZ ARG A 64 -7.357 -4.803 -24.466 1.00 13.45 C ATOM 989 NH1 ARG A 64 -6.528 -4.165 -25.280 1.00 52.22 N ATOM 990 NH2 ARG A 64 -7.290 -6.123 -24.359 1.00 20.52 N ATOM 0 H ARG A 64 -4.645 -0.332 -23.290 1.00 74.51 H new ATOM 0 HA ARG A 64 -5.790 -1.534 -20.891 1.00 21.52 H new ATOM 0 HB2 ARG A 64 -5.723 -2.113 -23.841 1.00 64.13 H new ATOM 0 HB3 ARG A 64 -6.009 -3.449 -22.743 1.00 64.13 H new ATOM 0 HG2 ARG A 64 -7.941 -2.229 -21.764 1.00 4.21 H new ATOM 0 HG3 ARG A 64 -7.655 -0.894 -22.862 1.00 4.21 H new ATOM 0 HD2 ARG A 64 -9.442 -2.402 -23.686 1.00 74.12 H new ATOM 0 HD3 ARG A 64 -8.093 -2.315 -24.801 1.00 74.12 H new ATOM 0 HE ARG A 64 -8.875 -4.644 -23.141 1.00 12.44 H new ATOM 0 HH11 ARG A 64 -6.576 -3.150 -25.364 1.00 52.22 H new ATOM 0 HH12 ARG A 64 -5.842 -4.689 -25.823 1.00 52.22 H new ATOM 0 HH21 ARG A 64 -7.926 -6.617 -23.733 1.00 20.52 H new ATOM 0 HH22 ARG A 64 -6.603 -6.645 -24.903 1.00 20.52 H new ATOM 1004 N ASN A 65 -2.822 -2.034 -21.522 1.00 3.41 N ATOM 1005 CA ASN A 65 -1.609 -2.787 -21.225 1.00 60.42 C ATOM 1006 C ASN A 65 -1.005 -2.345 -19.896 1.00 1.10 C ATOM 1007 O ASN A 65 0.157 -2.629 -19.605 1.00 42.13 O ATOM 1008 CB ASN A 65 -0.585 -2.609 -22.348 1.00 51.11 C ATOM 1009 CG ASN A 65 -1.039 -3.240 -23.650 1.00 54.53 C ATOM 1010 OD1 ASN A 65 -1.036 -2.595 -24.699 1.00 72.13 O ATOM 1011 ND2 ASN A 65 -1.433 -4.506 -23.588 1.00 73.23 N ATOM 0 H ASN A 65 -2.662 -1.059 -21.774 1.00 3.41 H new ATOM 0 HA ASN A 65 -1.876 -3.841 -21.149 1.00 60.42 H new ATOM 0 HB2 ASN A 65 -0.405 -1.546 -22.506 1.00 51.11 H new ATOM 0 HB3 ASN A 65 0.364 -3.052 -22.044 1.00 51.11 H new ATOM 0 HD21 ASN A 65 -1.750 -4.983 -24.432 1.00 73.23 H new ATOM 0 HD22 ASN A 65 -1.419 -5.002 -22.697 1.00 73.23 H new ATOM 1018 N ASP A 66 -1.802 -1.649 -19.093 1.00 1.30 N ATOM 1019 CA ASP A 66 -1.347 -1.168 -17.793 1.00 71.14 C ATOM 1020 C ASP A 66 -0.169 -0.212 -17.950 1.00 23.04 C ATOM 1021 O ASP A 66 0.886 -0.407 -17.347 1.00 12.33 O ATOM 1022 CB ASP A 66 -0.950 -2.345 -16.901 1.00 12.01 C ATOM 1023 CG ASP A 66 -2.031 -3.405 -16.826 1.00 34.03 C ATOM 1024 OD1 ASP A 66 -3.068 -3.150 -16.177 1.00 43.15 O ATOM 1025 OD2 ASP A 66 -1.841 -4.490 -17.414 1.00 70.13 O ATOM 0 H ASP A 66 -2.766 -1.405 -19.319 1.00 1.30 H new ATOM 0 HA ASP A 66 -2.170 -0.628 -17.324 1.00 71.14 H new ATOM 0 HB2 ASP A 66 -0.032 -2.793 -17.282 1.00 12.01 H new ATOM 0 HB3 ASP A 66 -0.733 -1.979 -15.897 1.00 12.01 H new ATOM 1030 N GLY A 67 -0.356 0.822 -18.765 1.00 23.24 N ATOM 1031 CA GLY A 67 0.700 1.792 -18.987 1.00 5.04 C ATOM 1032 C GLY A 67 0.842 2.768 -17.836 1.00 1.33 C ATOM 1033 O GLY A 67 0.156 3.790 -17.790 1.00 23.22 O ATOM 0 H GLY A 67 -1.220 1.005 -19.275 1.00 23.24 H new ATOM 0 HA2 GLY A 67 1.645 1.269 -19.134 1.00 5.04 H new ATOM 0 HA3 GLY A 67 0.495 2.344 -19.904 1.00 5.04 H new ATOM 1037 N LYS A 68 1.733 2.454 -16.902 1.00 4.13 N ATOM 1038 CA LYS A 68 1.964 3.310 -15.744 1.00 55.32 C ATOM 1039 C LYS A 68 2.938 4.434 -16.084 1.00 31.25 C ATOM 1040 O LYS A 68 3.887 4.238 -16.842 1.00 63.43 O ATOM 1041 CB LYS A 68 2.506 2.486 -14.574 1.00 41.33 C ATOM 1042 CG LYS A 68 2.726 3.298 -13.309 1.00 63.43 C ATOM 1043 CD LYS A 68 3.623 2.565 -12.326 1.00 21.42 C ATOM 1044 CE LYS A 68 3.080 1.182 -12.000 1.00 62.55 C ATOM 1045 NZ LYS A 68 3.915 0.483 -10.984 1.00 51.01 N ATOM 0 H LYS A 68 2.308 1.612 -16.924 1.00 4.13 H new ATOM 0 HA LYS A 68 1.011 3.754 -15.456 1.00 55.32 H new ATOM 0 HB2 LYS A 68 1.810 1.675 -14.359 1.00 41.33 H new ATOM 0 HB3 LYS A 68 3.449 2.027 -14.870 1.00 41.33 H new ATOM 0 HG2 LYS A 68 3.173 4.258 -13.565 1.00 63.43 H new ATOM 0 HG3 LYS A 68 1.765 3.509 -12.839 1.00 63.43 H new ATOM 0 HD2 LYS A 68 4.625 2.474 -12.745 1.00 21.42 H new ATOM 0 HD3 LYS A 68 3.712 3.147 -11.409 1.00 21.42 H new ATOM 0 HE2 LYS A 68 2.058 1.271 -11.631 1.00 62.55 H new ATOM 0 HE3 LYS A 68 3.040 0.584 -12.910 1.00 62.55 H new ATOM 0 HZ1 LYS A 68 3.512 -0.456 -10.789 1.00 51.01 H new ATOM 0 HZ2 LYS A 68 4.884 0.375 -11.346 1.00 51.01 H new ATOM 0 HZ3 LYS A 68 3.933 1.041 -10.106 1.00 51.01 H new ATOM 1059 N VAL A 69 2.698 5.611 -15.515 1.00 55.35 N ATOM 1060 CA VAL A 69 3.555 6.765 -15.756 1.00 4.42 C ATOM 1061 C VAL A 69 4.755 6.764 -14.815 1.00 30.00 C ATOM 1062 O VAL A 69 4.602 6.684 -13.596 1.00 53.41 O ATOM 1063 CB VAL A 69 2.782 8.086 -15.582 1.00 32.25 C ATOM 1064 CG1 VAL A 69 3.650 9.270 -15.978 1.00 3.13 C ATOM 1065 CG2 VAL A 69 1.496 8.061 -16.395 1.00 5.12 C ATOM 0 H VAL A 69 1.917 5.790 -14.884 1.00 55.35 H new ATOM 0 HA VAL A 69 3.903 6.690 -16.786 1.00 4.42 H new ATOM 0 HB VAL A 69 2.518 8.196 -14.530 1.00 32.25 H new ATOM 0 HG11 VAL A 69 3.086 10.194 -15.848 1.00 3.13 H new ATOM 0 HG12 VAL A 69 4.539 9.296 -15.348 1.00 3.13 H new ATOM 0 HG13 VAL A 69 3.947 9.170 -17.022 1.00 3.13 H new ATOM 0 HG21 VAL A 69 0.962 9.002 -16.261 1.00 5.12 H new ATOM 0 HG22 VAL A 69 1.735 7.927 -17.450 1.00 5.12 H new ATOM 0 HG23 VAL A 69 0.868 7.236 -16.058 1.00 5.12 H new ATOM 1075 N VAL A 70 5.951 6.853 -15.389 1.00 54.01 N ATOM 1076 CA VAL A 70 7.178 6.864 -14.602 1.00 32.31 C ATOM 1077 C VAL A 70 7.986 8.130 -14.861 1.00 51.30 C ATOM 1078 O VAL A 70 8.678 8.630 -13.975 1.00 32.10 O ATOM 1079 CB VAL A 70 8.055 5.636 -14.912 1.00 55.05 C ATOM 1080 CG1 VAL A 70 7.276 4.351 -14.679 1.00 33.44 C ATOM 1081 CG2 VAL A 70 8.575 5.701 -16.340 1.00 43.33 C ATOM 0 H VAL A 70 6.096 6.919 -16.397 1.00 54.01 H new ATOM 0 HA VAL A 70 6.881 6.834 -13.554 1.00 32.31 H new ATOM 0 HB VAL A 70 8.910 5.642 -14.236 1.00 55.05 H new ATOM 0 HG11 VAL A 70 7.912 3.494 -14.903 1.00 33.44 H new ATOM 0 HG12 VAL A 70 6.956 4.303 -13.638 1.00 33.44 H new ATOM 0 HG13 VAL A 70 6.401 4.333 -15.329 1.00 33.44 H new ATOM 0 HG21 VAL A 70 9.193 4.826 -16.542 1.00 43.33 H new ATOM 0 HG22 VAL A 70 7.734 5.720 -17.033 1.00 43.33 H new ATOM 0 HG23 VAL A 70 9.172 6.604 -16.469 1.00 43.33 H new ATOM 1091 N GLY A 71 7.893 8.646 -16.083 1.00 74.22 N ATOM 1092 CA GLY A 71 8.620 9.850 -16.438 1.00 11.54 C ATOM 1093 C GLY A 71 7.782 10.815 -17.253 1.00 72.13 C ATOM 1094 O GLY A 71 6.994 10.398 -18.102 1.00 75.42 O ATOM 0 H GLY A 71 7.327 8.251 -16.834 1.00 74.22 H new ATOM 0 HA2 GLY A 71 8.960 10.347 -15.529 1.00 11.54 H new ATOM 0 HA3 GLY A 71 9.511 9.579 -17.005 1.00 11.54 H new ATOM 1098 N ILE A 72 7.951 12.107 -16.995 1.00 15.30 N ATOM 1099 CA ILE A 72 7.203 13.133 -17.712 1.00 34.15 C ATOM 1100 C ILE A 72 8.108 14.290 -18.118 1.00 43.43 C ATOM 1101 O ILE A 72 8.521 15.093 -17.281 1.00 70.11 O ATOM 1102 CB ILE A 72 6.040 13.679 -16.861 1.00 44.45 C ATOM 1103 CG1 ILE A 72 5.056 12.558 -16.523 1.00 50.02 C ATOM 1104 CG2 ILE A 72 5.333 14.809 -17.595 1.00 42.11 C ATOM 1105 CD1 ILE A 72 4.053 12.936 -15.456 1.00 11.11 C ATOM 0 H ILE A 72 8.599 12.469 -16.295 1.00 15.30 H new ATOM 0 HA ILE A 72 6.798 12.661 -18.607 1.00 34.15 H new ATOM 0 HB ILE A 72 6.445 14.074 -15.929 1.00 44.45 H new ATOM 0 HG12 ILE A 72 4.521 12.270 -17.428 1.00 50.02 H new ATOM 0 HG13 ILE A 72 5.615 11.683 -16.191 1.00 50.02 H new ATOM 0 HG21 ILE A 72 4.514 15.185 -16.982 1.00 42.11 H new ATOM 0 HG22 ILE A 72 6.040 15.615 -17.789 1.00 42.11 H new ATOM 0 HG23 ILE A 72 4.938 14.438 -18.540 1.00 42.11 H new ATOM 0 HD11 ILE A 72 3.387 12.094 -15.267 1.00 11.11 H new ATOM 0 HD12 ILE A 72 4.579 13.195 -14.537 1.00 11.11 H new ATOM 0 HD13 ILE A 72 3.468 13.792 -15.793 1.00 11.11 H new ATOM 1117 N SER A 73 8.412 14.371 -19.410 1.00 2.23 N ATOM 1118 CA SER A 73 9.271 15.430 -19.928 1.00 72.31 C ATOM 1119 C SER A 73 8.458 16.451 -20.718 1.00 34.04 C ATOM 1120 O SER A 73 7.228 16.437 -20.688 1.00 35.21 O ATOM 1121 CB SER A 73 10.367 14.837 -20.816 1.00 51.40 C ATOM 1122 OG SER A 73 10.779 13.568 -20.340 1.00 34.14 O ATOM 0 H SER A 73 8.076 13.716 -20.117 1.00 2.23 H new ATOM 0 HA SER A 73 9.733 15.937 -19.081 1.00 72.31 H new ATOM 0 HB2 SER A 73 10.000 14.744 -21.838 1.00 51.40 H new ATOM 0 HB3 SER A 73 11.222 15.513 -20.844 1.00 51.40 H new ATOM 0 HG SER A 73 11.663 13.353 -20.705 1.00 34.14 H new ATOM 1128 N GLU A 74 9.155 17.336 -21.423 1.00 1.11 N ATOM 1129 CA GLU A 74 8.498 18.365 -22.220 1.00 0.32 C ATOM 1130 C GLU A 74 8.305 17.898 -23.660 1.00 3.23 C ATOM 1131 O GLU A 74 7.443 18.403 -24.377 1.00 75.42 O ATOM 1132 CB GLU A 74 9.315 19.659 -22.197 1.00 22.23 C ATOM 1133 CG GLU A 74 10.627 19.563 -22.957 1.00 41.53 C ATOM 1134 CD GLU A 74 11.639 20.599 -22.506 1.00 64.44 C ATOM 1135 OE1 GLU A 74 11.896 20.685 -21.287 1.00 73.11 O ATOM 1136 OE2 GLU A 74 12.175 21.322 -23.372 1.00 12.11 O ATOM 0 H GLU A 74 10.174 17.361 -21.459 1.00 1.11 H new ATOM 0 HA GLU A 74 7.517 18.555 -21.784 1.00 0.32 H new ATOM 0 HB2 GLU A 74 8.716 20.464 -22.622 1.00 22.23 H new ATOM 0 HB3 GLU A 74 9.523 19.929 -21.162 1.00 22.23 H new ATOM 0 HG2 GLU A 74 11.048 18.567 -22.823 1.00 41.53 H new ATOM 0 HG3 GLU A 74 10.435 19.687 -24.023 1.00 41.53 H new ATOM 1143 N GLY A 75 9.117 16.930 -24.076 1.00 12.45 N ATOM 1144 CA GLY A 75 9.021 16.411 -25.427 1.00 54.54 C ATOM 1145 C GLY A 75 8.937 14.898 -25.463 1.00 44.40 C ATOM 1146 O GLY A 75 9.099 14.285 -26.518 1.00 31.50 O ATOM 0 H GLY A 75 9.839 16.497 -23.501 1.00 12.45 H new ATOM 0 HA2 GLY A 75 8.141 16.832 -25.913 1.00 54.54 H new ATOM 0 HA3 GLY A 75 9.889 16.737 -26.001 1.00 54.54 H new ATOM 1150 N LYS A 76 8.686 14.294 -24.307 1.00 22.12 N ATOM 1151 CA LYS A 76 8.582 12.843 -24.208 1.00 60.12 C ATOM 1152 C LYS A 76 8.054 12.427 -22.839 1.00 11.00 C ATOM 1153 O LYS A 76 8.270 13.119 -21.844 1.00 12.51 O ATOM 1154 CB LYS A 76 9.946 12.195 -24.459 1.00 34.10 C ATOM 1155 CG LYS A 76 11.040 12.705 -23.537 1.00 70.34 C ATOM 1156 CD LYS A 76 11.709 13.947 -24.100 1.00 42.34 C ATOM 1157 CE LYS A 76 13.194 13.979 -23.771 1.00 33.23 C ATOM 1158 NZ LYS A 76 13.822 15.270 -24.164 1.00 10.54 N ATOM 0 H LYS A 76 8.551 14.787 -23.425 1.00 22.12 H new ATOM 0 HA LYS A 76 7.879 12.502 -24.968 1.00 60.12 H new ATOM 0 HB2 LYS A 76 9.854 11.116 -24.338 1.00 34.10 H new ATOM 0 HB3 LYS A 76 10.240 12.376 -25.493 1.00 34.10 H new ATOM 0 HG2 LYS A 76 10.616 12.931 -22.558 1.00 70.34 H new ATOM 0 HG3 LYS A 76 11.786 11.924 -23.389 1.00 70.34 H new ATOM 0 HD2 LYS A 76 11.574 13.975 -25.181 1.00 42.34 H new ATOM 0 HD3 LYS A 76 11.226 14.837 -23.695 1.00 42.34 H new ATOM 0 HE2 LYS A 76 13.332 13.819 -22.702 1.00 33.23 H new ATOM 0 HE3 LYS A 76 13.697 13.159 -24.284 1.00 33.23 H new ATOM 0 HZ1 LYS A 76 14.834 15.252 -23.923 1.00 10.54 H new ATOM 0 HZ2 LYS A 76 13.713 15.412 -25.188 1.00 10.54 H new ATOM 0 HZ3 LYS A 76 13.359 16.050 -23.655 1.00 10.54 H new ATOM 1172 N ILE A 77 7.363 11.293 -22.796 1.00 20.11 N ATOM 1173 CA ILE A 77 6.807 10.785 -21.548 1.00 61.40 C ATOM 1174 C ILE A 77 7.150 9.311 -21.353 1.00 54.54 C ATOM 1175 O ILE A 77 6.763 8.462 -22.157 1.00 4.32 O ATOM 1176 CB ILE A 77 5.277 10.955 -21.503 1.00 21.42 C ATOM 1177 CG1 ILE A 77 4.886 12.366 -21.947 1.00 35.44 C ATOM 1178 CG2 ILE A 77 4.754 10.669 -20.103 1.00 54.41 C ATOM 1179 CD1 ILE A 77 5.411 13.453 -21.036 1.00 0.11 C ATOM 0 H ILE A 77 7.175 10.709 -23.611 1.00 20.11 H new ATOM 0 HA ILE A 77 7.253 11.369 -20.743 1.00 61.40 H new ATOM 0 HB ILE A 77 4.825 10.240 -22.191 1.00 21.42 H new ATOM 0 HG12 ILE A 77 5.260 12.537 -22.956 1.00 35.44 H new ATOM 0 HG13 ILE A 77 3.799 12.436 -21.993 1.00 35.44 H new ATOM 0 HG21 ILE A 77 3.671 10.793 -20.087 1.00 54.41 H new ATOM 0 HG22 ILE A 77 5.006 9.646 -19.822 1.00 54.41 H new ATOM 0 HG23 ILE A 77 5.209 11.362 -19.396 1.00 54.41 H new ATOM 0 HD11 ILE A 77 5.096 14.426 -21.412 1.00 0.11 H new ATOM 0 HD12 ILE A 77 5.017 13.307 -20.030 1.00 0.11 H new ATOM 0 HD13 ILE A 77 6.500 13.410 -21.008 1.00 0.11 H new ATOM 1191 N ASP A 78 7.875 9.015 -20.281 1.00 2.32 N ATOM 1192 CA ASP A 78 8.268 7.644 -19.978 1.00 32.10 C ATOM 1193 C ASP A 78 7.164 6.918 -19.215 1.00 53.51 C ATOM 1194 O ASP A 78 6.650 7.423 -18.217 1.00 11.14 O ATOM 1195 CB ASP A 78 9.562 7.629 -19.163 1.00 41.33 C ATOM 1196 CG ASP A 78 10.587 8.615 -19.687 1.00 43.55 C ATOM 1197 OD1 ASP A 78 10.566 9.784 -19.247 1.00 42.10 O ATOM 1198 OD2 ASP A 78 11.411 8.219 -20.537 1.00 62.55 O ATOM 0 H ASP A 78 8.203 9.706 -19.607 1.00 2.32 H new ATOM 0 HA ASP A 78 8.436 7.124 -20.921 1.00 32.10 H new ATOM 0 HB2 ASP A 78 9.336 7.863 -18.123 1.00 41.33 H new ATOM 0 HB3 ASP A 78 9.986 6.625 -19.179 1.00 41.33 H new ATOM 1203 N VAL A 79 6.803 5.732 -19.693 1.00 34.33 N ATOM 1204 CA VAL A 79 5.759 4.937 -19.056 1.00 64.50 C ATOM 1205 C VAL A 79 6.035 3.445 -19.208 1.00 64.14 C ATOM 1206 O VAL A 79 6.586 3.005 -20.218 1.00 43.42 O ATOM 1207 CB VAL A 79 4.373 5.254 -19.646 1.00 73.15 C ATOM 1208 CG1 VAL A 79 4.114 6.753 -19.626 1.00 35.53 C ATOM 1209 CG2 VAL A 79 4.258 4.704 -21.060 1.00 55.12 C ATOM 0 H VAL A 79 7.218 5.300 -20.519 1.00 34.33 H new ATOM 0 HA VAL A 79 5.763 5.199 -17.998 1.00 64.50 H new ATOM 0 HB VAL A 79 3.615 4.770 -19.029 1.00 73.15 H new ATOM 0 HG11 VAL A 79 3.130 6.958 -20.047 1.00 35.53 H new ATOM 0 HG12 VAL A 79 4.152 7.115 -18.599 1.00 35.53 H new ATOM 0 HG13 VAL A 79 4.875 7.262 -20.218 1.00 35.53 H new ATOM 0 HG21 VAL A 79 3.272 4.937 -21.462 1.00 55.12 H new ATOM 0 HG22 VAL A 79 5.023 5.157 -21.690 1.00 55.12 H new ATOM 0 HG23 VAL A 79 4.396 3.623 -21.042 1.00 55.12 H new ATOM 1219 N ILE A 80 5.649 2.671 -18.200 1.00 14.33 N ATOM 1220 CA ILE A 80 5.853 1.228 -18.223 1.00 11.35 C ATOM 1221 C ILE A 80 4.584 0.500 -18.654 1.00 3.24 C ATOM 1222 O ILE A 80 3.538 0.629 -18.020 1.00 14.13 O ATOM 1223 CB ILE A 80 6.291 0.700 -16.844 1.00 22.01 C ATOM 1224 CG1 ILE A 80 7.817 0.709 -16.732 1.00 22.43 C ATOM 1225 CG2 ILE A 80 5.746 -0.702 -16.616 1.00 51.11 C ATOM 1226 CD1 ILE A 80 8.497 -0.270 -17.663 1.00 61.14 C ATOM 0 H ILE A 80 5.193 3.019 -17.357 1.00 14.33 H new ATOM 0 HA ILE A 80 6.645 1.032 -18.946 1.00 11.35 H new ATOM 0 HB ILE A 80 5.885 1.356 -16.074 1.00 22.01 H new ATOM 0 HG12 ILE A 80 8.183 1.714 -16.944 1.00 22.43 H new ATOM 0 HG13 ILE A 80 8.099 0.477 -15.705 1.00 22.43 H new ATOM 0 HG21 ILE A 80 6.064 -1.061 -15.637 1.00 51.11 H new ATOM 0 HG22 ILE A 80 4.657 -0.680 -16.658 1.00 51.11 H new ATOM 0 HG23 ILE A 80 6.126 -1.370 -17.389 1.00 51.11 H new ATOM 0 HD11 ILE A 80 9.577 -0.209 -17.529 1.00 61.14 H new ATOM 0 HD12 ILE A 80 8.160 -1.282 -17.437 1.00 61.14 H new ATOM 0 HD13 ILE A 80 8.245 -0.026 -18.695 1.00 61.14 H new ATOM 1238 N GLU A 81 4.687 -0.266 -19.735 1.00 72.20 N ATOM 1239 CA GLU A 81 3.547 -1.016 -20.250 1.00 0.01 C ATOM 1240 C GLU A 81 3.755 -2.517 -20.067 1.00 4.41 C ATOM 1241 O GLU A 81 4.840 -2.962 -19.689 1.00 14.41 O ATOM 1242 CB GLU A 81 3.325 -0.698 -21.730 1.00 3.50 C ATOM 1243 CG GLU A 81 2.594 0.613 -21.968 1.00 32.13 C ATOM 1244 CD GLU A 81 1.102 0.502 -21.718 1.00 3.01 C ATOM 1245 OE1 GLU A 81 0.693 -0.395 -20.952 1.00 25.13 O ATOM 1246 OE2 GLU A 81 0.344 1.313 -22.289 1.00 52.50 O ATOM 0 H GLU A 81 5.547 -0.384 -20.271 1.00 72.20 H new ATOM 0 HA GLU A 81 2.664 -0.717 -19.685 1.00 0.01 H new ATOM 0 HB2 GLU A 81 4.291 -0.662 -22.234 1.00 3.50 H new ATOM 0 HB3 GLU A 81 2.757 -1.509 -22.186 1.00 3.50 H new ATOM 0 HG2 GLU A 81 3.012 1.381 -21.317 1.00 32.13 H new ATOM 0 HG3 GLU A 81 2.764 0.938 -22.994 1.00 32.13 H new ATOM 1253 N ILE A 82 2.710 -3.290 -20.337 1.00 74.41 N ATOM 1254 CA ILE A 82 2.778 -4.740 -20.203 1.00 32.21 C ATOM 1255 C ILE A 82 2.440 -5.431 -21.520 1.00 1.40 C ATOM 1256 O ILE A 82 1.543 -5.002 -22.246 1.00 43.32 O ATOM 1257 CB ILE A 82 1.821 -5.250 -19.109 1.00 0.10 C ATOM 1258 CG1 ILE A 82 1.972 -4.412 -17.838 1.00 0.22 C ATOM 1259 CG2 ILE A 82 2.086 -6.719 -18.816 1.00 22.10 C ATOM 1260 CD1 ILE A 82 3.355 -4.480 -17.230 1.00 23.44 C ATOM 0 H ILE A 82 1.806 -2.937 -20.650 1.00 74.41 H new ATOM 0 HA ILE A 82 3.802 -4.982 -19.921 1.00 32.21 H new ATOM 0 HB ILE A 82 0.797 -5.151 -19.468 1.00 0.10 H new ATOM 0 HG12 ILE A 82 1.736 -3.373 -18.067 1.00 0.22 H new ATOM 0 HG13 ILE A 82 1.243 -4.750 -17.101 1.00 0.22 H new ATOM 0 HG21 ILE A 82 1.402 -7.065 -18.041 1.00 22.10 H new ATOM 0 HG22 ILE A 82 1.933 -7.304 -19.723 1.00 22.10 H new ATOM 0 HG23 ILE A 82 3.114 -6.842 -18.474 1.00 22.10 H new ATOM 0 HD11 ILE A 82 3.389 -3.862 -16.333 1.00 23.44 H new ATOM 0 HD12 ILE A 82 3.587 -5.512 -16.969 1.00 23.44 H new ATOM 0 HD13 ILE A 82 4.087 -4.114 -17.950 1.00 23.44 H new ATOM 1272 N VAL A 83 3.164 -6.504 -21.822 1.00 33.14 N ATOM 1273 CA VAL A 83 2.939 -7.257 -23.050 1.00 3.20 C ATOM 1274 C VAL A 83 3.211 -8.742 -22.842 1.00 31.44 C ATOM 1275 O VAL A 83 3.994 -9.141 -21.979 1.00 14.23 O ATOM 1276 CB VAL A 83 3.829 -6.739 -24.196 1.00 20.32 C ATOM 1277 CG1 VAL A 83 3.374 -5.358 -24.643 1.00 63.42 C ATOM 1278 CG2 VAL A 83 5.289 -6.716 -23.768 1.00 34.43 C ATOM 0 H VAL A 83 3.911 -6.871 -21.233 1.00 33.14 H new ATOM 0 HA VAL A 83 1.892 -7.117 -23.320 1.00 3.20 H new ATOM 0 HB VAL A 83 3.733 -7.419 -25.043 1.00 20.32 H new ATOM 0 HG11 VAL A 83 4.014 -5.008 -25.453 1.00 63.42 H new ATOM 0 HG12 VAL A 83 2.343 -5.410 -24.992 1.00 63.42 H new ATOM 0 HG13 VAL A 83 3.438 -4.665 -23.804 1.00 63.42 H new ATOM 0 HG21 VAL A 83 5.903 -6.348 -24.590 1.00 34.43 H new ATOM 0 HG22 VAL A 83 5.405 -6.060 -22.906 1.00 34.43 H new ATOM 0 HG23 VAL A 83 5.606 -7.724 -23.502 1.00 34.43 H new ATOM 1288 N PRO A 84 2.550 -9.584 -23.650 1.00 40.15 N ATOM 1289 CA PRO A 84 2.705 -11.040 -23.575 1.00 14.31 C ATOM 1290 C PRO A 84 4.077 -11.503 -24.053 1.00 13.54 C ATOM 1291 O PRO A 84 4.794 -10.760 -24.724 1.00 31.24 O ATOM 1292 CB PRO A 84 1.609 -11.562 -24.508 1.00 43.53 C ATOM 1293 CG PRO A 84 1.371 -10.450 -25.471 1.00 52.01 C ATOM 1294 CD PRO A 84 1.601 -9.179 -24.701 1.00 45.15 C ATOM 0 HA PRO A 84 2.623 -11.406 -22.552 1.00 14.31 H new ATOM 0 HB2 PRO A 84 1.925 -12.470 -25.022 1.00 43.53 H new ATOM 0 HB3 PRO A 84 0.702 -11.808 -23.955 1.00 43.53 H new ATOM 0 HG2 PRO A 84 2.049 -10.519 -26.322 1.00 52.01 H new ATOM 0 HG3 PRO A 84 0.356 -10.488 -25.868 1.00 52.01 H new ATOM 0 HD2 PRO A 84 2.014 -8.394 -25.335 1.00 45.15 H new ATOM 0 HD3 PRO A 84 0.674 -8.792 -24.278 1.00 45.15 H new ATOM 1302 N ASP A 85 4.436 -12.733 -23.703 1.00 55.12 N ATOM 1303 CA ASP A 85 5.722 -13.295 -24.098 1.00 32.41 C ATOM 1304 C ASP A 85 5.587 -14.113 -25.379 1.00 22.13 C ATOM 1305 O ASP A 85 6.385 -13.971 -26.305 1.00 15.33 O ATOM 1306 CB ASP A 85 6.286 -14.170 -22.977 1.00 13.22 C ATOM 1307 CG ASP A 85 7.723 -14.581 -23.231 1.00 34.42 C ATOM 1308 OD1 ASP A 85 7.944 -15.475 -24.075 1.00 52.33 O ATOM 1309 OD2 ASP A 85 8.626 -14.010 -22.586 1.00 11.42 O ATOM 0 H ASP A 85 3.855 -13.360 -23.147 1.00 55.12 H new ATOM 0 HA ASP A 85 6.409 -12.470 -24.285 1.00 32.41 H new ATOM 0 HB2 ASP A 85 6.228 -13.628 -22.033 1.00 13.22 H new ATOM 0 HB3 ASP A 85 5.669 -15.062 -22.871 1.00 13.22 H new ATOM 1314 N GLY A 86 4.572 -14.971 -25.423 1.00 65.24 N ATOM 1315 CA GLY A 86 4.353 -15.800 -26.594 1.00 52.13 C ATOM 1316 C GLY A 86 3.846 -17.184 -26.239 1.00 3.44 C ATOM 1317 O GLY A 86 3.398 -17.929 -27.109 1.00 30.45 O ATOM 0 H GLY A 86 3.898 -15.107 -24.669 1.00 65.24 H new ATOM 0 HA2 GLY A 86 3.635 -15.311 -27.252 1.00 52.13 H new ATOM 0 HA3 GLY A 86 5.286 -15.890 -27.151 1.00 52.13 H new ATOM 1321 N GLU A 87 3.919 -17.527 -24.956 1.00 63.45 N ATOM 1322 CA GLU A 87 3.466 -18.832 -24.489 1.00 64.43 C ATOM 1323 C GLU A 87 2.259 -18.691 -23.567 1.00 71.00 C ATOM 1324 O GLU A 87 1.288 -19.439 -23.678 1.00 4.01 O ATOM 1325 CB GLU A 87 4.598 -19.558 -23.758 1.00 70.14 C ATOM 1326 CG GLU A 87 5.432 -18.648 -22.872 1.00 35.54 C ATOM 1327 CD GLU A 87 6.438 -19.413 -22.034 1.00 45.04 C ATOM 1328 OE1 GLU A 87 6.188 -20.601 -21.742 1.00 51.20 O ATOM 1329 OE2 GLU A 87 7.478 -18.823 -21.672 1.00 13.41 O ATOM 0 H GLU A 87 4.287 -16.920 -24.223 1.00 63.45 H new ATOM 0 HA GLU A 87 3.170 -19.418 -25.359 1.00 64.43 H new ATOM 0 HB2 GLU A 87 4.173 -20.355 -23.148 1.00 70.14 H new ATOM 0 HB3 GLU A 87 5.249 -20.032 -24.493 1.00 70.14 H new ATOM 0 HG2 GLU A 87 5.958 -17.924 -23.494 1.00 35.54 H new ATOM 0 HG3 GLU A 87 4.772 -18.083 -22.214 1.00 35.54 H new ATOM 1336 N GLY A 88 2.327 -17.725 -22.655 1.00 64.45 N ATOM 1337 CA GLY A 88 1.235 -17.503 -21.726 1.00 72.35 C ATOM 1338 C GLY A 88 1.661 -16.704 -20.511 1.00 54.42 C ATOM 1339 O GLY A 88 1.195 -16.955 -19.401 1.00 1.24 O ATOM 0 H GLY A 88 3.119 -17.092 -22.544 1.00 64.45 H new ATOM 0 HA2 GLY A 88 0.428 -16.978 -22.237 1.00 72.35 H new ATOM 0 HA3 GLY A 88 0.836 -18.464 -21.403 1.00 72.35 H new ATOM 1343 N ASN A 89 2.550 -15.738 -20.722 1.00 34.32 N ATOM 1344 CA ASN A 89 3.040 -14.900 -19.633 1.00 61.45 C ATOM 1345 C ASN A 89 3.186 -13.451 -20.086 1.00 54.32 C ATOM 1346 O ASN A 89 3.242 -13.166 -21.283 1.00 32.34 O ATOM 1347 CB ASN A 89 4.384 -15.425 -19.124 1.00 43.24 C ATOM 1348 CG ASN A 89 4.341 -16.905 -18.797 1.00 12.24 C ATOM 1349 OD1 ASN A 89 4.871 -17.726 -19.696 1.00 41.00 O flip ATOM 1350 ND2 ASN A 89 3.837 -17.305 -17.747 1.00 54.41 N flip ATOM 0 H ASN A 89 2.945 -15.516 -21.636 1.00 34.32 H new ATOM 0 HA ASN A 89 2.312 -14.937 -18.822 1.00 61.45 H new ATOM 0 HB2 ASN A 89 5.150 -15.245 -19.878 1.00 43.24 H new ATOM 0 HB3 ASN A 89 4.675 -14.867 -18.234 1.00 43.24 H new ATOM 0 HD21 ASN A 89 3.441 -16.638 -17.085 1.00 54.41 H new ATOM 0 HD22 ASN A 89 3.815 -18.303 -17.540 1.00 54.41 H new ATOM 1357 N TRP A 90 3.246 -12.539 -19.122 1.00 65.33 N ATOM 1358 CA TRP A 90 3.386 -11.119 -19.422 1.00 2.43 C ATOM 1359 C TRP A 90 4.741 -10.595 -18.959 1.00 24.51 C ATOM 1360 O TRP A 90 5.404 -11.212 -18.124 1.00 31.35 O ATOM 1361 CB TRP A 90 2.263 -10.323 -18.754 1.00 44.10 C ATOM 1362 CG TRP A 90 0.893 -10.790 -19.142 1.00 11.52 C ATOM 1363 CD1 TRP A 90 0.167 -11.783 -18.549 1.00 62.11 C ATOM 1364 CD2 TRP A 90 0.085 -10.282 -20.210 1.00 22.44 C ATOM 1365 NE1 TRP A 90 -1.043 -11.924 -19.184 1.00 70.23 N ATOM 1366 CE2 TRP A 90 -1.118 -11.015 -20.206 1.00 12.33 C ATOM 1367 CE3 TRP A 90 0.260 -9.280 -21.167 1.00 43.22 C ATOM 1368 CZ2 TRP A 90 -2.138 -10.775 -21.123 1.00 62.20 C ATOM 1369 CZ3 TRP A 90 -0.753 -9.044 -22.077 1.00 45.41 C ATOM 1370 CH2 TRP A 90 -1.939 -9.788 -22.050 1.00 15.25 C ATOM 0 H TRP A 90 3.200 -12.758 -18.127 1.00 65.33 H new ATOM 0 HA TRP A 90 3.319 -10.993 -20.503 1.00 2.43 H new ATOM 0 HB2 TRP A 90 2.371 -10.395 -17.672 1.00 44.10 H new ATOM 0 HB3 TRP A 90 2.368 -9.270 -19.016 1.00 44.10 H new ATOM 0 HD1 TRP A 90 0.496 -12.371 -17.705 1.00 62.11 H new ATOM 0 HE1 TRP A 90 -1.768 -12.597 -18.935 1.00 70.23 H new ATOM 0 HE3 TRP A 90 1.171 -8.700 -21.195 1.00 43.22 H new ATOM 0 HZ2 TRP A 90 -3.054 -11.347 -21.103 1.00 62.20 H new ATOM 0 HZ3 TRP A 90 -0.628 -8.272 -22.822 1.00 45.41 H new ATOM 0 HH2 TRP A 90 -2.712 -9.579 -22.775 1.00 15.25 H new ATOM 1381 N LEU A 91 5.149 -9.455 -19.506 1.00 33.43 N ATOM 1382 CA LEU A 91 6.426 -8.849 -19.148 1.00 44.21 C ATOM 1383 C LEU A 91 6.352 -7.328 -19.241 1.00 30.15 C ATOM 1384 O LEU A 91 5.444 -6.779 -19.864 1.00 2.24 O ATOM 1385 CB LEU A 91 7.536 -9.373 -20.062 1.00 33.04 C ATOM 1386 CG LEU A 91 8.231 -10.656 -19.605 1.00 71.11 C ATOM 1387 CD1 LEU A 91 9.178 -11.162 -20.682 1.00 20.21 C ATOM 1388 CD2 LEU A 91 8.979 -10.422 -18.301 1.00 22.21 C ATOM 0 H LEU A 91 4.614 -8.932 -20.199 1.00 33.43 H new ATOM 0 HA LEU A 91 6.653 -9.122 -18.117 1.00 44.21 H new ATOM 0 HB2 LEU A 91 7.113 -9.545 -21.052 1.00 33.04 H new ATOM 0 HB3 LEU A 91 8.290 -8.593 -20.169 1.00 33.04 H new ATOM 0 HG LEU A 91 7.470 -11.417 -19.432 1.00 71.11 H new ATOM 0 HD11 LEU A 91 9.664 -12.076 -20.339 1.00 20.21 H new ATOM 0 HD12 LEU A 91 8.616 -11.369 -21.593 1.00 20.21 H new ATOM 0 HD13 LEU A 91 9.934 -10.404 -20.887 1.00 20.21 H new ATOM 0 HD21 LEU A 91 9.467 -11.346 -17.991 1.00 22.21 H new ATOM 0 HD22 LEU A 91 9.730 -9.646 -18.447 1.00 22.21 H new ATOM 0 HD23 LEU A 91 8.276 -10.107 -17.530 1.00 22.21 H new ATOM 1400 N GLU A 92 7.314 -6.655 -18.618 1.00 3.32 N ATOM 1401 CA GLU A 92 7.358 -5.197 -18.632 1.00 34.24 C ATOM 1402 C GLU A 92 7.827 -4.680 -19.988 1.00 43.32 C ATOM 1403 O GLU A 92 8.530 -5.376 -20.720 1.00 65.14 O ATOM 1404 CB GLU A 92 8.284 -4.682 -17.528 1.00 41.13 C ATOM 1405 CG GLU A 92 8.006 -5.293 -16.165 1.00 55.51 C ATOM 1406 CD GLU A 92 6.664 -4.869 -15.599 1.00 73.45 C ATOM 1407 OE1 GLU A 92 6.081 -3.894 -16.118 1.00 64.22 O ATOM 1408 OE2 GLU A 92 6.196 -5.514 -14.638 1.00 21.44 O ATOM 0 H GLU A 92 8.073 -7.095 -18.098 1.00 3.32 H new ATOM 0 HA GLU A 92 6.349 -4.827 -18.451 1.00 34.24 H new ATOM 0 HB2 GLU A 92 9.317 -4.890 -17.806 1.00 41.13 H new ATOM 0 HB3 GLU A 92 8.185 -3.599 -17.458 1.00 41.13 H new ATOM 0 HG2 GLU A 92 8.036 -6.380 -16.245 1.00 55.51 H new ATOM 0 HG3 GLU A 92 8.796 -5.003 -15.473 1.00 55.51 H new ATOM 1415 N ARG A 93 7.433 -3.454 -20.316 1.00 52.31 N ATOM 1416 CA ARG A 93 7.811 -2.843 -21.585 1.00 22.04 C ATOM 1417 C ARG A 93 7.933 -1.329 -21.444 1.00 2.50 C ATOM 1418 O ARG A 93 6.964 -0.586 -21.603 1.00 4.44 O ATOM 1419 CB ARG A 93 6.784 -3.184 -22.666 1.00 23.41 C ATOM 1420 CG ARG A 93 7.363 -3.203 -24.071 1.00 71.22 C ATOM 1421 CD ARG A 93 8.241 -4.424 -24.296 1.00 23.02 C ATOM 1422 NE ARG A 93 8.932 -4.372 -25.581 1.00 64.13 N ATOM 1423 CZ ARG A 93 8.363 -4.699 -26.736 1.00 34.12 C ATOM 1424 NH1 ARG A 93 7.099 -5.099 -26.765 1.00 72.03 N ATOM 1425 NH2 ARG A 93 9.057 -4.626 -27.864 1.00 40.11 N ATOM 0 H ARG A 93 6.852 -2.864 -19.720 1.00 52.31 H new ATOM 0 HA ARG A 93 8.782 -3.243 -21.877 1.00 22.04 H new ATOM 0 HB2 ARG A 93 6.350 -4.160 -22.448 1.00 23.41 H new ATOM 0 HB3 ARG A 93 5.972 -2.458 -22.626 1.00 23.41 H new ATOM 0 HG2 ARG A 93 6.552 -3.197 -24.800 1.00 71.22 H new ATOM 0 HG3 ARG A 93 7.947 -2.298 -24.237 1.00 71.22 H new ATOM 0 HD2 ARG A 93 8.974 -4.496 -23.493 1.00 23.02 H new ATOM 0 HD3 ARG A 93 7.628 -5.324 -24.250 1.00 23.02 H new ATOM 0 HE ARG A 93 9.906 -4.068 -25.593 1.00 64.13 H new ATOM 0 HH11 ARG A 93 6.562 -5.156 -25.900 1.00 72.03 H new ATOM 0 HH12 ARG A 93 6.664 -5.350 -27.653 1.00 72.03 H new ATOM 0 HH21 ARG A 93 10.029 -4.318 -27.846 1.00 40.11 H new ATOM 0 HH22 ARG A 93 8.618 -4.878 -28.750 1.00 40.11 H new ATOM 1439 N PRO A 94 9.152 -0.859 -21.138 1.00 52.45 N ATOM 1440 CA PRO A 94 9.430 0.571 -20.970 1.00 34.24 C ATOM 1441 C PRO A 94 9.358 1.335 -22.287 1.00 71.13 C ATOM 1442 O PRO A 94 10.262 1.245 -23.118 1.00 3.03 O ATOM 1443 CB PRO A 94 10.857 0.592 -20.416 1.00 74.12 C ATOM 1444 CG PRO A 94 11.468 -0.679 -20.897 1.00 10.15 C ATOM 1445 CD PRO A 94 10.352 -1.687 -20.935 1.00 4.51 C ATOM 0 HA PRO A 94 8.699 1.055 -20.322 1.00 34.24 H new ATOM 0 HB2 PRO A 94 11.410 1.459 -20.778 1.00 74.12 H new ATOM 0 HB3 PRO A 94 10.858 0.645 -19.327 1.00 74.12 H new ATOM 0 HG2 PRO A 94 11.911 -0.550 -21.885 1.00 10.15 H new ATOM 0 HG3 PRO A 94 12.266 -1.005 -20.230 1.00 10.15 H new ATOM 0 HD2 PRO A 94 10.486 -2.405 -21.744 1.00 4.51 H new ATOM 0 HD3 PRO A 94 10.294 -2.258 -20.008 1.00 4.51 H new ATOM 1453 N ARG A 95 8.278 2.087 -22.472 1.00 74.40 N ATOM 1454 CA ARG A 95 8.088 2.866 -23.690 1.00 22.14 C ATOM 1455 C ARG A 95 8.118 4.361 -23.388 1.00 45.41 C ATOM 1456 O ARG A 95 8.013 4.774 -22.233 1.00 54.33 O ATOM 1457 CB ARG A 95 6.762 2.496 -24.356 1.00 71.11 C ATOM 1458 CG ARG A 95 6.661 1.028 -24.738 1.00 51.22 C ATOM 1459 CD ARG A 95 5.305 0.703 -25.346 1.00 24.20 C ATOM 1460 NE ARG A 95 5.189 1.192 -26.717 1.00 54.20 N ATOM 1461 CZ ARG A 95 5.847 0.666 -27.744 1.00 2.23 C ATOM 1462 NH1 ARG A 95 6.665 -0.361 -27.555 1.00 53.53 N ATOM 1463 NH2 ARG A 95 5.688 1.167 -28.962 1.00 62.12 N ATOM 0 H ARG A 95 7.521 2.173 -21.794 1.00 74.40 H new ATOM 0 HA ARG A 95 8.906 2.633 -24.372 1.00 22.14 H new ATOM 0 HB2 ARG A 95 5.944 2.744 -23.680 1.00 71.11 H new ATOM 0 HB3 ARG A 95 6.632 3.105 -25.250 1.00 71.11 H new ATOM 0 HG2 ARG A 95 7.449 0.781 -25.450 1.00 51.22 H new ATOM 0 HG3 ARG A 95 6.823 0.409 -23.855 1.00 51.22 H new ATOM 0 HD2 ARG A 95 5.150 -0.376 -25.332 1.00 24.20 H new ATOM 0 HD3 ARG A 95 4.518 1.146 -24.735 1.00 24.20 H new ATOM 0 HE ARG A 95 4.568 1.981 -26.896 1.00 54.20 H new ATOM 0 HH11 ARG A 95 6.790 -0.748 -26.620 1.00 53.53 H new ATOM 0 HH12 ARG A 95 7.169 -0.763 -28.345 1.00 53.53 H new ATOM 0 HH21 ARG A 95 5.060 1.957 -29.111 1.00 62.12 H new ATOM 0 HH22 ARG A 95 6.194 0.762 -29.750 1.00 62.12 H new ATOM 1477 N SER A 96 8.264 5.168 -24.435 1.00 22.14 N ATOM 1478 CA SER A 96 8.313 6.617 -24.282 1.00 11.34 C ATOM 1479 C SER A 96 7.441 7.304 -25.329 1.00 23.41 C ATOM 1480 O SER A 96 7.629 7.113 -26.531 1.00 52.34 O ATOM 1481 CB SER A 96 9.755 7.115 -24.396 1.00 50.21 C ATOM 1482 OG SER A 96 10.664 6.031 -24.482 1.00 55.11 O ATOM 0 H SER A 96 8.350 4.842 -25.398 1.00 22.14 H new ATOM 0 HA SER A 96 7.927 6.866 -23.293 1.00 11.34 H new ATOM 0 HB2 SER A 96 9.856 7.749 -25.277 1.00 50.21 H new ATOM 0 HB3 SER A 96 10.000 7.731 -23.531 1.00 50.21 H new ATOM 0 HG SER A 96 11.578 6.376 -24.556 1.00 55.11 H new ATOM 1488 N LEU A 97 6.487 8.103 -24.864 1.00 25.32 N ATOM 1489 CA LEU A 97 5.585 8.819 -25.759 1.00 23.11 C ATOM 1490 C LEU A 97 6.131 10.204 -26.088 1.00 43.52 C ATOM 1491 O LEU A 97 6.088 11.114 -25.259 1.00 44.44 O ATOM 1492 CB LEU A 97 4.198 8.942 -25.126 1.00 3.03 C ATOM 1493 CG LEU A 97 3.719 7.734 -24.320 1.00 13.10 C ATOM 1494 CD1 LEU A 97 2.287 7.940 -23.850 1.00 40.31 C ATOM 1495 CD2 LEU A 97 3.832 6.462 -25.147 1.00 64.03 C ATOM 0 H LEU A 97 6.318 8.271 -23.872 1.00 25.32 H new ATOM 0 HA LEU A 97 5.505 8.251 -26.686 1.00 23.11 H new ATOM 0 HB2 LEU A 97 4.195 9.814 -24.472 1.00 3.03 H new ATOM 0 HB3 LEU A 97 3.475 9.135 -25.918 1.00 3.03 H new ATOM 0 HG LEU A 97 4.357 7.631 -23.442 1.00 13.10 H new ATOM 0 HD11 LEU A 97 1.963 7.070 -23.278 1.00 40.31 H new ATOM 0 HD12 LEU A 97 2.235 8.828 -23.220 1.00 40.31 H new ATOM 0 HD13 LEU A 97 1.635 8.069 -24.714 1.00 40.31 H new ATOM 0 HD21 LEU A 97 3.487 5.613 -24.557 1.00 64.03 H new ATOM 0 HD22 LEU A 97 3.218 6.555 -26.043 1.00 64.03 H new ATOM 0 HD23 LEU A 97 4.872 6.306 -25.434 1.00 64.03 H new ATOM 1507 N THR A 98 6.643 10.359 -27.305 1.00 44.43 N ATOM 1508 CA THR A 98 7.197 11.634 -27.745 1.00 72.12 C ATOM 1509 C THR A 98 6.096 12.579 -28.213 1.00 42.10 C ATOM 1510 O THR A 98 5.048 12.141 -28.689 1.00 62.33 O ATOM 1511 CB THR A 98 8.212 11.441 -28.887 1.00 42.23 C ATOM 1512 OG1 THR A 98 7.537 11.016 -30.076 1.00 62.43 O ATOM 1513 CG2 THR A 98 9.270 10.417 -28.504 1.00 52.02 C ATOM 0 H THR A 98 6.686 9.617 -28.004 1.00 44.43 H new ATOM 0 HA THR A 98 7.707 12.071 -26.886 1.00 72.12 H new ATOM 0 HB THR A 98 8.704 12.396 -29.071 1.00 42.23 H new ATOM 0 HG1 THR A 98 8.189 10.897 -30.798 1.00 62.43 H new ATOM 0 HG21 THR A 98 9.975 10.298 -29.326 1.00 52.02 H new ATOM 0 HG22 THR A 98 9.802 10.758 -27.616 1.00 52.02 H new ATOM 0 HG23 THR A 98 8.791 9.460 -28.295 1.00 52.02 H new ATOM 1521 N LEU A 99 6.340 13.878 -28.075 1.00 61.44 N ATOM 1522 CA LEU A 99 5.369 14.886 -28.485 1.00 51.12 C ATOM 1523 C LEU A 99 4.908 14.647 -29.919 1.00 50.15 C ATOM 1524 O LEU A 99 5.724 14.471 -30.824 1.00 61.24 O ATOM 1525 CB LEU A 99 5.973 16.286 -28.358 1.00 61.31 C ATOM 1526 CG LEU A 99 5.004 17.402 -27.967 1.00 41.13 C ATOM 1527 CD1 LEU A 99 4.730 17.372 -26.472 1.00 23.13 C ATOM 1528 CD2 LEU A 99 5.557 18.758 -28.383 1.00 33.30 C ATOM 0 H LEU A 99 7.202 14.257 -27.682 1.00 61.44 H new ATOM 0 HA LEU A 99 4.503 14.809 -27.827 1.00 51.12 H new ATOM 0 HB2 LEU A 99 6.772 16.249 -27.617 1.00 61.31 H new ATOM 0 HB3 LEU A 99 6.433 16.549 -29.310 1.00 61.31 H new ATOM 0 HG LEU A 99 4.062 17.239 -28.491 1.00 41.13 H new ATOM 0 HD11 LEU A 99 4.038 18.174 -26.213 1.00 23.13 H new ATOM 0 HD12 LEU A 99 4.290 16.412 -26.202 1.00 23.13 H new ATOM 0 HD13 LEU A 99 5.665 17.509 -25.928 1.00 23.13 H new ATOM 0 HD21 LEU A 99 4.854 19.541 -28.097 1.00 33.30 H new ATOM 0 HD22 LEU A 99 6.512 18.929 -27.887 1.00 33.30 H new ATOM 0 HD23 LEU A 99 5.701 18.776 -29.463 1.00 33.30 H new