USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 164:sc= -0.0407 (180deg=-0.371) USER MOD Single : A 38 GLN : amide:sc=-0.00489 X(o=-0.0049,f=-0.0049) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.135 F(o=-1.4,f=-0.13) USER MOD Single : A 41 MET CE :methyl -132:sc= 0 (180deg=-0.163) USER MOD Single : A 43 THR OG1 : rot -65:sc= 1.05 USER MOD Single : A 44 ASN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -41:sc= 0.462 USER MOD Single : A 58 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.7) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -0.616 (180deg=-1.44!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 67 MET CE :methyl 159:sc= -2.99! (180deg=-4!) USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.000922) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.149 F(o=-1.3,f=-0.15) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -142:sc=-0.000351 (180deg=-0.245) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0187 F(o=-0.52,f=-0.019) USER MOD Single : A 89 TYR OH : rot -71:sc= 0.0568 USER MOD Single : A 90 THR OG1 : rot 35:sc= 0.385 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 4.639 -18.825 2.058 1.00 42.43 N ATOM 433 CA VAL A 31 4.724 -18.259 0.717 1.00 23.42 C ATOM 434 C VAL A 31 3.531 -17.356 0.426 1.00 65.33 C ATOM 435 O VAL A 31 2.945 -17.416 -0.656 1.00 52.51 O ATOM 436 CB VAL A 31 4.791 -19.364 -0.355 1.00 41.24 C ATOM 437 CG1 VAL A 31 6.060 -20.188 -0.194 1.00 53.11 C ATOM 438 CG2 VAL A 31 3.558 -20.250 -0.284 1.00 62.54 C ATOM 0 HA VAL A 31 5.640 -17.670 0.679 1.00 23.42 H new ATOM 0 HB VAL A 31 4.815 -18.892 -1.337 1.00 41.24 H new ATOM 0 HG11 VAL A 31 6.090 -20.963 -0.960 1.00 53.11 H new ATOM 0 HG12 VAL A 31 6.930 -19.540 -0.299 1.00 53.11 H new ATOM 0 HG13 VAL A 31 6.070 -20.652 0.792 1.00 53.11 H new ATOM 0 HG21 VAL A 31 3.622 -21.025 -1.048 1.00 62.54 H new ATOM 0 HG22 VAL A 31 3.500 -20.715 0.700 1.00 62.54 H new ATOM 0 HG23 VAL A 31 2.666 -19.647 -0.453 1.00 62.54 H new ATOM 448 N GLU A 32 3.179 -16.519 1.396 1.00 74.11 N ATOM 449 CA GLU A 32 2.055 -15.603 1.243 1.00 73.15 C ATOM 450 C GLU A 32 2.435 -14.419 0.359 1.00 43.44 C ATOM 451 O GLU A 32 1.574 -13.779 -0.245 1.00 24.40 O ATOM 452 CB GLU A 32 1.585 -15.102 2.611 1.00 24.51 C ATOM 453 CG GLU A 32 2.690 -14.466 3.438 1.00 23.14 C ATOM 454 CD GLU A 32 2.178 -13.871 4.735 1.00 71.35 C ATOM 455 OE1 GLU A 32 1.568 -12.783 4.687 1.00 51.54 O ATOM 456 OE2 GLU A 32 2.387 -14.493 5.797 1.00 51.22 O ATOM 0 H GLU A 32 3.655 -16.456 2.296 1.00 74.11 H new ATOM 0 HA GLU A 32 1.240 -16.146 0.764 1.00 73.15 H new ATOM 0 HB2 GLU A 32 0.786 -14.375 2.467 1.00 24.51 H new ATOM 0 HB3 GLU A 32 1.160 -15.937 3.168 1.00 24.51 H new ATOM 0 HG2 GLU A 32 3.449 -15.216 3.661 1.00 23.14 H new ATOM 0 HG3 GLU A 32 3.175 -13.686 2.851 1.00 23.14 H new ATOM 464 N SER A 33 3.731 -14.131 0.290 1.00 21.30 N ATOM 465 CA SER A 33 4.227 -13.022 -0.515 1.00 51.24 C ATOM 466 C SER A 33 5.117 -13.526 -1.646 1.00 60.43 C ATOM 467 O SER A 33 5.282 -12.857 -2.668 1.00 12.22 O ATOM 468 CB SER A 33 5.004 -12.035 0.360 1.00 63.41 C ATOM 469 OG SER A 33 5.865 -12.717 1.254 1.00 73.11 O ATOM 0 H SER A 33 4.457 -14.651 0.783 1.00 21.30 H new ATOM 0 HA SER A 33 3.369 -12.511 -0.952 1.00 51.24 H new ATOM 0 HB2 SER A 33 5.587 -11.365 -0.272 1.00 63.41 H new ATOM 0 HB3 SER A 33 4.306 -11.416 0.923 1.00 63.41 H new ATOM 0 HG SER A 33 6.352 -12.065 1.801 1.00 73.11 H new ATOM 475 N ASP A 34 5.688 -14.710 -1.458 1.00 21.42 N ATOM 476 CA ASP A 34 6.561 -15.307 -2.462 1.00 50.22 C ATOM 477 C ASP A 34 5.830 -15.467 -3.791 1.00 42.03 C ATOM 478 O ASP A 34 6.450 -15.469 -4.857 1.00 51.32 O ATOM 479 CB ASP A 34 7.074 -16.665 -1.981 1.00 23.13 C ATOM 480 CG ASP A 34 8.106 -17.260 -2.919 1.00 34.23 C ATOM 481 OD1 ASP A 34 8.875 -16.484 -3.525 1.00 64.11 O ATOM 482 OD2 ASP A 34 8.145 -18.502 -3.047 1.00 53.32 O ATOM 0 H ASP A 34 5.562 -15.276 -0.619 1.00 21.42 H new ATOM 0 HA ASP A 34 7.410 -14.640 -2.612 1.00 50.22 H new ATOM 0 HB2 ASP A 34 7.511 -16.554 -0.988 1.00 23.13 H new ATOM 0 HB3 ASP A 34 6.235 -17.354 -1.885 1.00 23.13 H new ATOM 488 N LEU A 35 4.511 -15.603 -3.723 1.00 33.42 N ATOM 489 CA LEU A 35 3.694 -15.766 -4.921 1.00 45.53 C ATOM 490 C LEU A 35 3.180 -14.417 -5.416 1.00 5.13 C ATOM 491 O LEU A 35 2.261 -14.354 -6.232 1.00 35.13 O ATOM 492 CB LEU A 35 2.518 -16.700 -4.637 1.00 71.13 C ATOM 493 CG LEU A 35 1.899 -17.389 -5.855 1.00 4.43 C ATOM 494 CD1 LEU A 35 2.825 -18.476 -6.379 1.00 21.22 C ATOM 495 CD2 LEU A 35 0.537 -17.970 -5.504 1.00 70.14 C ATOM 0 H LEU A 35 3.983 -15.604 -2.850 1.00 33.42 H new ATOM 0 HA LEU A 35 4.318 -16.205 -5.700 1.00 45.53 H new ATOM 0 HB2 LEU A 35 2.851 -17.469 -3.940 1.00 71.13 H new ATOM 0 HB3 LEU A 35 1.739 -16.128 -4.133 1.00 71.13 H new ATOM 0 HG LEU A 35 1.763 -16.645 -6.640 1.00 4.43 H new ATOM 0 HD11 LEU A 35 2.369 -18.956 -7.245 1.00 21.22 H new ATOM 0 HD12 LEU A 35 3.778 -18.034 -6.669 1.00 21.22 H new ATOM 0 HD13 LEU A 35 2.992 -19.219 -5.599 1.00 21.22 H new ATOM 0 HD21 LEU A 35 0.112 -18.456 -6.382 1.00 70.14 H new ATOM 0 HD22 LEU A 35 0.649 -18.701 -4.703 1.00 70.14 H new ATOM 0 HD23 LEU A 35 -0.126 -17.170 -5.175 1.00 70.14 H new ATOM 507 N ASP A 36 3.783 -13.342 -4.920 1.00 14.10 N ATOM 508 CA ASP A 36 3.388 -11.994 -5.314 1.00 32.51 C ATOM 509 C ASP A 36 4.368 -11.417 -6.332 1.00 35.34 C ATOM 510 O ASP A 36 4.010 -10.551 -7.130 1.00 34.55 O ATOM 511 CB ASP A 36 3.311 -11.083 -4.089 1.00 32.44 C ATOM 512 CG ASP A 36 2.666 -9.748 -4.400 1.00 75.04 C ATOM 513 OD1 ASP A 36 1.583 -9.467 -3.843 1.00 71.13 O ATOM 514 OD2 ASP A 36 3.243 -8.982 -5.200 1.00 70.24 O ATOM 0 H ASP A 36 4.547 -13.377 -4.245 1.00 14.10 H new ATOM 0 HA ASP A 36 2.403 -12.051 -5.776 1.00 32.51 H new ATOM 0 HB2 ASP A 36 2.744 -11.583 -3.303 1.00 32.44 H new ATOM 0 HB3 ASP A 36 4.316 -10.916 -3.700 1.00 32.44 H new ATOM 520 N MET A 37 5.604 -11.903 -6.296 1.00 43.22 N ATOM 521 CA MET A 37 6.635 -11.435 -7.216 1.00 20.12 C ATOM 522 C MET A 37 6.240 -11.715 -8.662 1.00 65.11 C ATOM 523 O MET A 37 6.666 -11.012 -9.578 1.00 53.53 O ATOM 524 CB MET A 37 7.972 -12.106 -6.900 1.00 4.12 C ATOM 525 CG MET A 37 9.178 -11.232 -7.205 1.00 4.01 C ATOM 526 SD MET A 37 10.737 -12.015 -6.751 1.00 12.02 S ATOM 527 CE MET A 37 10.786 -13.375 -7.916 1.00 53.55 C ATOM 0 H MET A 37 5.916 -12.620 -5.641 1.00 43.22 H new ATOM 0 HA MET A 37 6.739 -10.357 -7.089 1.00 20.12 H new ATOM 0 HB2 MET A 37 7.991 -12.381 -5.846 1.00 4.12 H new ATOM 0 HB3 MET A 37 8.049 -13.030 -7.472 1.00 4.12 H new ATOM 0 HG2 MET A 37 9.191 -10.996 -8.269 1.00 4.01 H new ATOM 0 HG3 MET A 37 9.081 -10.287 -6.670 1.00 4.01 H new ATOM 0 HE1 MET A 37 11.797 -13.779 -7.961 1.00 53.55 H new ATOM 0 HE2 MET A 37 10.097 -14.156 -7.593 1.00 53.55 H new ATOM 0 HE3 MET A 37 10.493 -13.019 -8.904 1.00 53.55 H new ATOM 537 N GLN A 38 5.427 -12.748 -8.859 1.00 63.54 N ATOM 538 CA GLN A 38 4.978 -13.120 -10.196 1.00 70.31 C ATOM 539 C GLN A 38 3.935 -12.136 -10.714 1.00 51.34 C ATOM 540 O GLN A 38 3.780 -11.960 -11.922 1.00 21.43 O ATOM 541 CB GLN A 38 4.399 -14.536 -10.186 1.00 31.13 C ATOM 542 CG GLN A 38 5.450 -15.624 -10.336 1.00 33.20 C ATOM 543 CD GLN A 38 6.219 -15.874 -9.054 1.00 13.23 C ATOM 544 OE1 GLN A 38 7.276 -15.287 -8.826 1.00 43.31 O ATOM 545 NE2 GLN A 38 5.690 -16.748 -8.206 1.00 70.21 N ATOM 0 H GLN A 38 5.066 -13.341 -8.112 1.00 63.54 H new ATOM 0 HA GLN A 38 5.840 -13.091 -10.862 1.00 70.31 H new ATOM 0 HB2 GLN A 38 3.858 -14.692 -9.253 1.00 31.13 H new ATOM 0 HB3 GLN A 38 3.674 -14.629 -10.995 1.00 31.13 H new ATOM 0 HG2 GLN A 38 4.967 -16.549 -10.652 1.00 33.20 H new ATOM 0 HG3 GLN A 38 6.148 -15.343 -11.125 1.00 33.20 H new ATOM 0 HE21 GLN A 38 4.811 -17.213 -8.435 1.00 70.21 H new ATOM 0 HE22 GLN A 38 6.162 -16.955 -7.326 1.00 70.21 H new ATOM 554 N GLN A 39 3.223 -11.496 -9.792 1.00 74.02 N ATOM 555 CA GLN A 39 2.194 -10.530 -10.157 1.00 75.34 C ATOM 556 C GLN A 39 2.791 -9.374 -10.954 1.00 74.30 C ATOM 557 O GLN A 39 2.091 -8.707 -11.716 1.00 61.41 O ATOM 558 CB GLN A 39 1.499 -9.995 -8.904 1.00 12.01 C ATOM 559 CG GLN A 39 0.720 -11.053 -8.141 1.00 20.35 C ATOM 560 CD GLN A 39 -0.181 -10.462 -7.075 1.00 61.11 C ATOM 561 OE1 GLN A 39 0.354 -9.522 -6.303 1.00 41.01 O flip ATOM 562 NE2 GLN A 39 -1.344 -10.844 -6.945 1.00 72.10 N flip ATOM 0 H GLN A 39 3.340 -11.629 -8.787 1.00 74.02 H new ATOM 0 HA GLN A 39 1.460 -11.038 -10.782 1.00 75.34 H new ATOM 0 HB2 GLN A 39 2.247 -9.559 -8.242 1.00 12.01 H new ATOM 0 HB3 GLN A 39 0.820 -9.192 -9.190 1.00 12.01 H new ATOM 0 HG2 GLN A 39 0.117 -11.630 -8.842 1.00 20.35 H new ATOM 0 HG3 GLN A 39 1.419 -11.748 -7.676 1.00 20.35 H new ATOM 0 HE21 GLN A 39 -1.715 -11.569 -7.560 1.00 72.10 H new ATOM 0 HE22 GLN A 39 -1.937 -10.436 -6.222 1.00 72.10 H new ATOM 571 N ALA A 40 4.086 -9.143 -10.773 1.00 33.05 N ATOM 572 CA ALA A 40 4.777 -8.070 -11.475 1.00 70.45 C ATOM 573 C ALA A 40 4.733 -8.285 -12.985 1.00 0.25 C ATOM 574 O ALA A 40 4.826 -7.334 -13.760 1.00 51.52 O ATOM 575 CB ALA A 40 6.217 -7.965 -10.997 1.00 20.42 C ATOM 0 H ALA A 40 4.679 -9.686 -10.145 1.00 33.05 H new ATOM 0 HA ALA A 40 4.264 -7.135 -11.251 1.00 70.45 H new ATOM 0 HB1 ALA A 40 6.720 -7.159 -11.531 1.00 20.42 H new ATOM 0 HB2 ALA A 40 6.231 -7.756 -9.927 1.00 20.42 H new ATOM 0 HB3 ALA A 40 6.734 -8.905 -11.190 1.00 20.42 H new ATOM 581 N MET A 41 4.593 -9.541 -13.395 1.00 31.30 N ATOM 582 CA MET A 41 4.536 -9.881 -14.812 1.00 10.54 C ATOM 583 C MET A 41 3.188 -9.494 -15.410 1.00 64.30 C ATOM 584 O MET A 41 3.123 -8.912 -16.495 1.00 1.03 O ATOM 585 CB MET A 41 4.785 -11.377 -15.010 1.00 30.12 C ATOM 586 CG MET A 41 6.011 -11.893 -14.272 1.00 11.11 C ATOM 587 SD MET A 41 6.645 -13.430 -14.969 1.00 0.12 S ATOM 588 CE MET A 41 7.443 -12.826 -16.454 1.00 53.33 C ATOM 0 H MET A 41 4.517 -10.340 -12.766 1.00 31.30 H new ATOM 0 HA MET A 41 5.316 -9.320 -15.326 1.00 10.54 H new ATOM 0 HB2 MET A 41 3.909 -11.930 -14.673 1.00 30.12 H new ATOM 0 HB3 MET A 41 4.900 -11.580 -16.075 1.00 30.12 H new ATOM 0 HG2 MET A 41 6.794 -11.135 -14.302 1.00 11.11 H new ATOM 0 HG3 MET A 41 5.759 -12.051 -13.223 1.00 11.11 H new ATOM 0 HE1 MET A 41 7.141 -13.438 -17.304 1.00 53.33 H new ATOM 0 HE2 MET A 41 7.150 -11.791 -16.629 1.00 53.33 H new ATOM 0 HE3 MET A 41 8.525 -12.881 -16.334 1.00 53.33 H new ATOM 598 N LEU A 42 2.115 -9.821 -14.700 1.00 30.21 N ATOM 599 CA LEU A 42 0.766 -9.507 -15.162 1.00 2.44 C ATOM 600 C LEU A 42 0.522 -8.002 -15.147 1.00 65.03 C ATOM 601 O LEU A 42 -0.366 -7.499 -15.837 1.00 3.43 O ATOM 602 CB LEU A 42 -0.271 -10.212 -14.286 1.00 5.04 C ATOM 603 CG LEU A 42 -0.547 -11.679 -14.621 1.00 11.21 C ATOM 604 CD1 LEU A 42 0.707 -12.516 -14.428 1.00 14.24 C ATOM 605 CD2 LEU A 42 -1.686 -12.215 -13.767 1.00 31.43 C ATOM 0 H LEU A 42 2.151 -10.303 -13.802 1.00 30.21 H new ATOM 0 HA LEU A 42 0.668 -9.862 -16.188 1.00 2.44 H new ATOM 0 HB2 LEU A 42 0.058 -10.153 -13.249 1.00 5.04 H new ATOM 0 HB3 LEU A 42 -1.209 -9.662 -14.354 1.00 5.04 H new ATOM 0 HG LEU A 42 -0.843 -11.743 -15.668 1.00 11.21 H new ATOM 0 HD11 LEU A 42 0.491 -13.556 -14.671 1.00 14.24 H new ATOM 0 HD12 LEU A 42 1.496 -12.146 -15.083 1.00 14.24 H new ATOM 0 HD13 LEU A 42 1.035 -12.446 -13.391 1.00 14.24 H new ATOM 0 HD21 LEU A 42 -1.869 -13.260 -14.018 1.00 31.43 H new ATOM 0 HD22 LEU A 42 -1.419 -12.137 -12.713 1.00 31.43 H new ATOM 0 HD23 LEU A 42 -2.588 -11.633 -13.957 1.00 31.43 H new ATOM 617 N THR A 43 1.318 -7.287 -14.358 1.00 52.14 N ATOM 618 CA THR A 43 1.189 -5.838 -14.254 1.00 24.12 C ATOM 619 C THR A 43 2.427 -5.135 -14.801 1.00 34.33 C ATOM 620 O THR A 43 2.939 -4.198 -14.191 1.00 61.21 O ATOM 621 CB THR A 43 0.964 -5.397 -12.796 1.00 32.21 C ATOM 622 OG1 THR A 43 0.795 -3.977 -12.734 1.00 71.44 O ATOM 623 CG2 THR A 43 2.136 -5.812 -11.918 1.00 72.02 C ATOM 0 H THR A 43 2.058 -7.687 -13.782 1.00 52.14 H new ATOM 0 HA THR A 43 0.321 -5.555 -14.849 1.00 24.12 H new ATOM 0 HB THR A 43 0.063 -5.886 -12.427 1.00 32.21 H new ATOM 0 HG1 THR A 43 1.626 -3.536 -13.009 1.00 71.44 H new ATOM 0 HG21 THR A 43 1.955 -5.490 -10.893 1.00 72.02 H new ATOM 0 HG22 THR A 43 2.244 -6.896 -11.944 1.00 72.02 H new ATOM 0 HG23 THR A 43 3.050 -5.348 -12.288 1.00 72.02 H new ATOM 631 N ASN A 44 2.901 -5.594 -15.955 1.00 35.13 N ATOM 632 CA ASN A 44 4.080 -5.009 -16.583 1.00 61.50 C ATOM 633 C ASN A 44 3.933 -3.496 -16.710 1.00 22.41 C ATOM 634 O ASN A 44 3.074 -3.004 -17.443 1.00 53.45 O ATOM 635 CB ASN A 44 4.308 -5.629 -17.963 1.00 3.32 C ATOM 636 CG ASN A 44 5.710 -5.379 -18.484 1.00 21.04 C ATOM 637 OD1 ASN A 44 5.898 -4.707 -19.497 1.00 31.51 O ATOM 638 ND2 ASN A 44 6.704 -5.923 -17.790 1.00 44.15 N ATOM 0 H ASN A 44 2.487 -6.369 -16.474 1.00 35.13 H new ATOM 0 HA ASN A 44 4.942 -5.221 -15.950 1.00 61.50 H new ATOM 0 HB2 ASN A 44 4.129 -6.703 -17.910 1.00 3.32 H new ATOM 0 HB3 ASN A 44 3.583 -5.219 -18.667 1.00 3.32 H new ATOM 0 HD21 ASN A 44 7.669 -5.790 -18.092 1.00 44.15 H new ATOM 0 HD22 ASN A 44 6.502 -6.473 -16.955 1.00 44.15 H new ATOM 718 N VAL A 49 0.280 2.975 -18.925 1.00 53.22 N ATOM 719 CA VAL A 49 -0.230 2.592 -17.614 1.00 3.55 C ATOM 720 C VAL A 49 -0.247 3.782 -16.661 1.00 21.24 C ATOM 721 O VAL A 49 -1.175 3.941 -15.866 1.00 45.44 O ATOM 722 CB VAL A 49 0.614 1.463 -16.992 1.00 63.20 C ATOM 723 CG1 VAL A 49 0.231 1.251 -15.535 1.00 25.43 C ATOM 724 CG2 VAL A 49 0.451 0.176 -17.788 1.00 11.40 C ATOM 0 HA VAL A 49 -1.249 2.235 -17.763 1.00 3.55 H new ATOM 0 HB VAL A 49 1.664 1.755 -17.028 1.00 63.20 H new ATOM 0 HG11 VAL A 49 0.837 0.450 -15.112 1.00 25.43 H new ATOM 0 HG12 VAL A 49 0.404 2.171 -14.976 1.00 25.43 H new ATOM 0 HG13 VAL A 49 -0.823 0.980 -15.472 1.00 25.43 H new ATOM 0 HG21 VAL A 49 1.054 -0.611 -17.335 1.00 11.40 H new ATOM 0 HG22 VAL A 49 -0.597 -0.123 -17.786 1.00 11.40 H new ATOM 0 HG23 VAL A 49 0.779 0.339 -18.815 1.00 11.40 H new ATOM 734 N LEU A 50 0.783 4.616 -16.747 1.00 10.13 N ATOM 735 CA LEU A 50 0.887 5.794 -15.892 1.00 12.34 C ATOM 736 C LEU A 50 -0.358 6.666 -16.014 1.00 31.12 C ATOM 737 O LEU A 50 -0.771 7.317 -15.054 1.00 3.32 O ATOM 738 CB LEU A 50 2.131 6.606 -16.258 1.00 33.24 C ATOM 739 CG LEU A 50 3.448 5.830 -16.306 1.00 31.51 C ATOM 740 CD1 LEU A 50 4.524 6.650 -17.001 1.00 3.23 C ATOM 741 CD2 LEU A 50 3.891 5.443 -14.904 1.00 12.31 C ATOM 0 H LEU A 50 1.558 4.499 -17.400 1.00 10.13 H new ATOM 0 HA LEU A 50 0.972 5.457 -14.859 1.00 12.34 H new ATOM 0 HB2 LEU A 50 1.967 7.065 -17.233 1.00 33.24 H new ATOM 0 HB3 LEU A 50 2.236 7.417 -15.537 1.00 33.24 H new ATOM 0 HG LEU A 50 3.289 4.916 -16.879 1.00 31.51 H new ATOM 0 HD11 LEU A 50 5.454 6.083 -17.026 1.00 3.23 H new ATOM 0 HD12 LEU A 50 4.209 6.875 -18.020 1.00 3.23 H new ATOM 0 HD13 LEU A 50 4.681 7.581 -16.456 1.00 3.23 H new ATOM 0 HD21 LEU A 50 4.830 4.892 -14.958 1.00 12.31 H new ATOM 0 HD22 LEU A 50 4.033 6.343 -14.306 1.00 12.31 H new ATOM 0 HD23 LEU A 50 3.128 4.816 -14.441 1.00 12.31 H new ATOM 753 N LYS A 51 -0.954 6.674 -17.201 1.00 62.21 N ATOM 754 CA LYS A 51 -2.155 7.464 -17.450 1.00 2.35 C ATOM 755 C LYS A 51 -3.212 7.196 -16.384 1.00 11.01 C ATOM 756 O LYS A 51 -3.983 8.085 -16.024 1.00 73.51 O ATOM 757 CB LYS A 51 -2.720 7.147 -18.836 1.00 22.23 C ATOM 758 CG LYS A 51 -1.766 7.472 -19.972 1.00 14.22 C ATOM 759 CD LYS A 51 -1.918 8.912 -20.433 1.00 0.12 C ATOM 760 CE LYS A 51 -0.764 9.335 -21.328 1.00 61.14 C ATOM 761 NZ LYS A 51 -0.990 8.944 -22.747 1.00 22.03 N ATOM 0 H LYS A 51 -0.625 6.142 -18.007 1.00 62.21 H new ATOM 0 HA LYS A 51 -1.882 8.518 -17.409 1.00 2.35 H new ATOM 0 HB2 LYS A 51 -2.977 6.089 -18.881 1.00 22.23 H new ATOM 0 HB3 LYS A 51 -3.645 7.706 -18.978 1.00 22.23 H new ATOM 0 HG2 LYS A 51 -0.740 7.299 -19.647 1.00 14.22 H new ATOM 0 HG3 LYS A 51 -1.953 6.799 -20.809 1.00 14.22 H new ATOM 0 HD2 LYS A 51 -2.858 9.025 -20.972 1.00 0.12 H new ATOM 0 HD3 LYS A 51 -1.967 9.570 -19.565 1.00 0.12 H new ATOM 0 HE2 LYS A 51 -0.633 10.415 -21.265 1.00 61.14 H new ATOM 0 HE3 LYS A 51 0.159 8.881 -20.969 1.00 61.14 H new ATOM 0 HZ1 LYS A 51 -0.181 9.250 -23.325 1.00 22.03 H new ATOM 0 HZ2 LYS A 51 -1.090 7.911 -22.811 1.00 22.03 H new ATOM 0 HZ3 LYS A 51 -1.857 9.398 -23.098 1.00 22.03 H new ATOM 775 N ALA A 52 -3.242 5.966 -15.882 1.00 1.31 N ATOM 776 CA ALA A 52 -4.201 5.583 -14.855 1.00 31.45 C ATOM 777 C ALA A 52 -3.848 6.210 -13.510 1.00 64.34 C ATOM 778 O ALA A 52 -4.714 6.741 -12.815 1.00 12.42 O ATOM 779 CB ALA A 52 -4.266 4.067 -14.731 1.00 11.31 C ATOM 0 H ALA A 52 -2.612 5.217 -16.171 1.00 1.31 H new ATOM 0 HA ALA A 52 -5.181 5.955 -15.153 1.00 31.45 H new ATOM 0 HB1 ALA A 52 -4.987 3.796 -13.960 1.00 11.31 H new ATOM 0 HB2 ALA A 52 -4.575 3.637 -15.684 1.00 11.31 H new ATOM 0 HB3 ALA A 52 -3.283 3.682 -14.461 1.00 11.31 H new ATOM 785 N LEU A 53 -2.571 6.144 -13.150 1.00 40.11 N ATOM 786 CA LEU A 53 -2.102 6.706 -11.888 1.00 31.22 C ATOM 787 C LEU A 53 -2.446 8.189 -11.791 1.00 24.11 C ATOM 788 O LEU A 53 -2.537 8.744 -10.696 1.00 22.34 O ATOM 789 CB LEU A 53 -0.591 6.510 -11.750 1.00 12.31 C ATOM 790 CG LEU A 53 -0.096 5.064 -11.782 1.00 14.10 C ATOM 791 CD1 LEU A 53 1.345 5.004 -12.264 1.00 62.20 C ATOM 792 CD2 LEU A 53 -0.228 4.425 -10.407 1.00 23.35 C ATOM 0 H LEU A 53 -1.842 5.707 -13.714 1.00 40.11 H new ATOM 0 HA LEU A 53 -2.605 6.182 -11.076 1.00 31.22 H new ATOM 0 HB2 LEU A 53 -0.099 7.059 -12.553 1.00 12.31 H new ATOM 0 HB3 LEU A 53 -0.270 6.962 -10.811 1.00 12.31 H new ATOM 0 HG LEU A 53 -0.715 4.503 -12.482 1.00 14.10 H new ATOM 0 HD11 LEU A 53 1.680 3.967 -12.280 1.00 62.20 H new ATOM 0 HD12 LEU A 53 1.410 5.422 -13.268 1.00 62.20 H new ATOM 0 HD13 LEU A 53 1.979 5.580 -11.589 1.00 62.20 H new ATOM 0 HD21 LEU A 53 0.129 3.396 -10.448 1.00 23.35 H new ATOM 0 HD22 LEU A 53 0.366 4.987 -9.686 1.00 23.35 H new ATOM 0 HD23 LEU A 53 -1.274 4.434 -10.100 1.00 23.35 H new ATOM 804 N GLU A 54 -2.636 8.823 -12.943 1.00 43.23 N ATOM 805 CA GLU A 54 -2.971 10.242 -12.987 1.00 14.04 C ATOM 806 C GLU A 54 -4.271 10.518 -12.237 1.00 11.43 C ATOM 807 O GLU A 54 -4.345 11.434 -11.417 1.00 61.24 O ATOM 808 CB GLU A 54 -3.097 10.715 -14.437 1.00 44.41 C ATOM 809 CG GLU A 54 -1.837 10.497 -15.259 1.00 50.45 C ATOM 810 CD GLU A 54 -1.978 10.993 -16.685 1.00 41.02 C ATOM 811 OE1 GLU A 54 -3.128 11.171 -17.139 1.00 32.20 O ATOM 812 OE2 GLU A 54 -0.940 11.201 -17.347 1.00 50.11 O ATOM 0 H GLU A 54 -2.564 8.378 -13.858 1.00 43.23 H new ATOM 0 HA GLU A 54 -2.166 10.793 -12.501 1.00 14.04 H new ATOM 0 HB2 GLU A 54 -3.926 10.189 -14.911 1.00 44.41 H new ATOM 0 HB3 GLU A 54 -3.347 11.776 -14.444 1.00 44.41 H new ATOM 0 HG2 GLU A 54 -1.002 11.010 -14.781 1.00 50.45 H new ATOM 0 HG3 GLU A 54 -1.594 9.434 -15.270 1.00 50.45 H new ATOM 820 N ARG A 55 -5.293 9.719 -12.523 1.00 2.13 N ATOM 821 CA ARG A 55 -6.590 9.876 -11.876 1.00 70.33 C ATOM 822 C ARG A 55 -6.530 9.430 -10.419 1.00 70.14 C ATOM 823 O ARG A 55 -7.221 9.980 -9.561 1.00 11.33 O ATOM 824 CB ARG A 55 -7.657 9.073 -12.623 1.00 60.41 C ATOM 825 CG ARG A 55 -8.952 8.908 -11.845 1.00 4.52 C ATOM 826 CD ARG A 55 -9.526 10.253 -11.428 1.00 52.21 C ATOM 827 NE ARG A 55 -10.904 10.424 -11.881 1.00 0.32 N ATOM 828 CZ ARG A 55 -11.637 11.500 -11.615 1.00 60.22 C ATOM 829 NH1 ARG A 55 -11.126 12.495 -10.903 1.00 65.24 N ATOM 830 NH2 ARG A 55 -12.883 11.582 -12.062 1.00 65.35 N ATOM 0 H ARG A 55 -5.248 8.956 -13.199 1.00 2.13 H new ATOM 0 HA ARG A 55 -6.855 10.933 -11.903 1.00 70.33 H new ATOM 0 HB2 ARG A 55 -7.873 9.566 -13.571 1.00 60.41 H new ATOM 0 HB3 ARG A 55 -7.258 8.087 -12.860 1.00 60.41 H new ATOM 0 HG2 ARG A 55 -9.680 8.374 -12.456 1.00 4.52 H new ATOM 0 HG3 ARG A 55 -8.771 8.298 -10.960 1.00 4.52 H new ATOM 0 HD2 ARG A 55 -9.488 10.343 -10.342 1.00 52.21 H new ATOM 0 HD3 ARG A 55 -8.908 11.053 -11.836 1.00 52.21 H new ATOM 0 HE ARG A 55 -11.327 9.677 -12.432 1.00 0.32 H new ATOM 0 HH11 ARG A 55 -10.168 12.436 -10.558 1.00 65.24 H new ATOM 0 HH12 ARG A 55 -11.691 13.320 -10.700 1.00 65.24 H new ATOM 0 HH21 ARG A 55 -13.279 10.819 -12.610 1.00 65.35 H new ATOM 0 HH22 ARG A 55 -13.445 12.408 -11.857 1.00 65.35 H new ATOM 844 N THR A 56 -5.700 8.428 -10.146 1.00 42.34 N ATOM 845 CA THR A 56 -5.551 7.907 -8.793 1.00 23.35 C ATOM 846 C THR A 56 -4.814 8.898 -7.900 1.00 34.22 C ATOM 847 O THR A 56 -5.151 9.059 -6.727 1.00 13.45 O ATOM 848 CB THR A 56 -4.791 6.566 -8.790 1.00 14.34 C ATOM 849 OG1 THR A 56 -3.383 6.801 -8.895 1.00 22.43 O ATOM 850 CG2 THR A 56 -5.251 5.680 -9.937 1.00 1.34 C ATOM 0 H THR A 56 -5.121 7.961 -10.844 1.00 42.34 H new ATOM 0 HA THR A 56 -6.556 7.749 -8.402 1.00 23.35 H new ATOM 0 HB THR A 56 -5.004 6.055 -7.851 1.00 14.34 H new ATOM 0 HG1 THR A 56 -3.218 7.513 -9.547 1.00 22.43 H new ATOM 0 HG21 THR A 56 -4.700 4.740 -9.914 1.00 1.34 H new ATOM 0 HG22 THR A 56 -6.317 5.479 -9.836 1.00 1.34 H new ATOM 0 HG23 THR A 56 -5.065 6.186 -10.885 1.00 1.34 H new ATOM 858 N ARG A 57 -3.808 9.560 -8.462 1.00 2.24 N ATOM 859 CA ARG A 57 -3.024 10.535 -7.714 1.00 23.40 C ATOM 860 C ARG A 57 -3.927 11.593 -7.087 1.00 22.13 C ATOM 861 O ARG A 57 -3.676 12.054 -5.974 1.00 34.12 O ATOM 862 CB ARG A 57 -1.996 11.204 -8.630 1.00 74.32 C ATOM 863 CG ARG A 57 -0.728 10.388 -8.822 1.00 74.43 C ATOM 864 CD ARG A 57 0.177 11.005 -9.876 1.00 13.51 C ATOM 865 NE ARG A 57 -0.018 10.397 -11.189 1.00 74.03 N ATOM 866 CZ ARG A 57 0.888 10.438 -12.160 1.00 42.33 C ATOM 867 NH1 ARG A 57 2.046 11.054 -11.965 1.00 72.32 N ATOM 868 NH2 ARG A 57 0.637 9.861 -13.328 1.00 13.13 N ATOM 0 H ARG A 57 -3.517 9.439 -9.432 1.00 2.24 H new ATOM 0 HA ARG A 57 -2.502 10.009 -6.915 1.00 23.40 H new ATOM 0 HB2 ARG A 57 -2.452 11.385 -9.603 1.00 74.32 H new ATOM 0 HB3 ARG A 57 -1.732 12.177 -8.216 1.00 74.32 H new ATOM 0 HG2 ARG A 57 -0.192 10.319 -7.876 1.00 74.43 H new ATOM 0 HG3 ARG A 57 -0.989 9.371 -9.115 1.00 74.43 H new ATOM 0 HD2 ARG A 57 -0.018 12.075 -9.940 1.00 13.51 H new ATOM 0 HD3 ARG A 57 1.218 10.888 -9.573 1.00 13.51 H new ATOM 0 HE ARG A 57 -0.898 9.914 -11.371 1.00 74.03 H new ATOM 0 HH11 ARG A 57 2.243 11.498 -11.068 1.00 72.32 H new ATOM 0 HH12 ARG A 57 2.740 11.084 -12.712 1.00 72.32 H new ATOM 0 HH21 ARG A 57 -0.252 9.385 -13.481 1.00 13.13 H new ATOM 0 HH22 ARG A 57 1.333 9.893 -14.073 1.00 13.13 H new ATOM 882 N GLN A 58 -4.976 11.972 -7.809 1.00 23.40 N ATOM 883 CA GLN A 58 -5.915 12.976 -7.323 1.00 22.13 C ATOM 884 C GLN A 58 -6.654 12.477 -6.086 1.00 3.03 C ATOM 885 O GLN A 58 -6.991 13.257 -5.194 1.00 75.41 O ATOM 886 CB GLN A 58 -6.918 13.339 -8.418 1.00 71.22 C ATOM 887 CG GLN A 58 -6.268 13.704 -9.743 1.00 60.02 C ATOM 888 CD GLN A 58 -4.905 14.344 -9.566 1.00 44.44 C ATOM 889 OE1 GLN A 58 -4.799 15.526 -9.238 1.00 41.40 O ATOM 890 NE2 GLN A 58 -3.852 13.565 -9.785 1.00 10.02 N ATOM 0 H GLN A 58 -5.197 11.599 -8.732 1.00 23.40 H new ATOM 0 HA GLN A 58 -5.347 13.866 -7.050 1.00 22.13 H new ATOM 0 HB2 GLN A 58 -7.593 12.498 -8.574 1.00 71.22 H new ATOM 0 HB3 GLN A 58 -7.526 14.177 -8.078 1.00 71.22 H new ATOM 0 HG2 GLN A 58 -6.168 12.807 -10.354 1.00 60.02 H new ATOM 0 HG3 GLN A 58 -6.919 14.389 -10.287 1.00 60.02 H new ATOM 0 HE21 GLN A 58 -3.986 12.591 -10.055 1.00 10.02 H new ATOM 0 HE22 GLN A 58 -2.909 13.941 -9.683 1.00 10.02 H new ATOM 899 N LEU A 59 -6.902 11.172 -6.037 1.00 44.33 N ATOM 900 CA LEU A 59 -7.601 10.569 -4.908 1.00 22.54 C ATOM 901 C LEU A 59 -6.614 10.098 -3.845 1.00 72.43 C ATOM 902 O LEU A 59 -7.005 9.496 -2.844 1.00 62.32 O ATOM 903 CB LEU A 59 -8.456 9.392 -5.384 1.00 2.22 C ATOM 904 CG LEU A 59 -8.851 9.403 -6.861 1.00 35.41 C ATOM 905 CD1 LEU A 59 -9.644 8.153 -7.210 1.00 24.42 C ATOM 906 CD2 LEU A 59 -9.653 10.653 -7.188 1.00 41.44 C ATOM 0 H LEU A 59 -6.629 10.512 -6.766 1.00 44.33 H new ATOM 0 HA LEU A 59 -8.248 11.326 -4.466 1.00 22.54 H new ATOM 0 HB2 LEU A 59 -7.913 8.469 -5.181 1.00 2.22 H new ATOM 0 HB3 LEU A 59 -9.366 9.365 -4.785 1.00 2.22 H new ATOM 0 HG LEU A 59 -7.941 9.411 -7.461 1.00 35.41 H new ATOM 0 HD11 LEU A 59 -9.917 8.178 -8.265 1.00 24.42 H new ATOM 0 HD12 LEU A 59 -9.036 7.270 -7.013 1.00 24.42 H new ATOM 0 HD13 LEU A 59 -10.548 8.114 -6.602 1.00 24.42 H new ATOM 0 HD21 LEU A 59 -9.926 10.645 -8.243 1.00 41.44 H new ATOM 0 HD22 LEU A 59 -10.557 10.675 -6.580 1.00 41.44 H new ATOM 0 HD23 LEU A 59 -9.052 11.537 -6.976 1.00 41.44 H new ATOM 918 N ASP A 60 -5.335 10.378 -4.067 1.00 54.13 N ATOM 919 CA ASP A 60 -4.292 9.987 -3.127 1.00 14.14 C ATOM 920 C ASP A 60 -4.198 8.468 -3.019 1.00 20.11 C ATOM 921 O ASP A 60 -4.609 7.880 -2.018 1.00 71.05 O ATOM 922 CB ASP A 60 -4.566 10.591 -1.748 1.00 44.44 C ATOM 923 CG ASP A 60 -5.008 12.040 -1.828 1.00 22.11 C ATOM 924 OD1 ASP A 60 -4.287 12.846 -2.452 1.00 12.40 O ATOM 925 OD2 ASP A 60 -6.075 12.365 -1.269 1.00 12.23 O ATOM 0 H ASP A 60 -4.995 10.875 -4.891 1.00 54.13 H new ATOM 0 HA ASP A 60 -3.341 10.367 -3.500 1.00 14.14 H new ATOM 0 HB2 ASP A 60 -5.336 10.006 -1.245 1.00 44.44 H new ATOM 0 HB3 ASP A 60 -3.665 10.522 -1.139 1.00 44.44 H new ATOM 931 N ILE A 61 -3.656 7.840 -4.057 1.00 0.42 N ATOM 932 CA ILE A 61 -3.509 6.390 -4.080 1.00 12.24 C ATOM 933 C ILE A 61 -2.105 5.987 -4.517 1.00 64.30 C ATOM 934 O ILE A 61 -1.587 6.450 -5.534 1.00 33.21 O ATOM 935 CB ILE A 61 -4.536 5.734 -5.021 1.00 22.03 C ATOM 936 CG1 ILE A 61 -5.917 6.364 -4.823 1.00 4.20 C ATOM 937 CG2 ILE A 61 -4.594 4.233 -4.778 1.00 64.12 C ATOM 938 CD1 ILE A 61 -6.948 5.885 -5.820 1.00 23.24 C ATOM 0 H ILE A 61 -3.312 8.312 -4.893 1.00 0.42 H new ATOM 0 HA ILE A 61 -3.685 6.039 -3.063 1.00 12.24 H new ATOM 0 HB ILE A 61 -4.223 5.904 -6.051 1.00 22.03 H new ATOM 0 HG12 ILE A 61 -6.268 6.142 -3.815 1.00 4.20 H new ATOM 0 HG13 ILE A 61 -5.827 7.448 -4.898 1.00 4.20 H new ATOM 0 HG21 ILE A 61 -5.324 3.783 -5.451 1.00 64.12 H new ATOM 0 HG22 ILE A 61 -3.613 3.796 -4.964 1.00 64.12 H new ATOM 0 HG23 ILE A 61 -4.886 4.043 -3.745 1.00 64.12 H new ATOM 0 HD11 ILE A 61 -7.902 6.373 -5.620 1.00 23.24 H new ATOM 0 HD12 ILE A 61 -6.620 6.131 -6.830 1.00 23.24 H new ATOM 0 HD13 ILE A 61 -7.067 4.805 -5.730 1.00 23.24 H new ATOM 950 N PRO A 62 -1.472 5.101 -3.733 1.00 61.23 N ATOM 951 CA PRO A 62 -0.119 4.613 -4.021 1.00 74.04 C ATOM 952 C PRO A 62 -0.079 3.706 -5.246 1.00 14.03 C ATOM 953 O PRO A 62 -0.933 2.834 -5.413 1.00 63.35 O ATOM 954 CB PRO A 62 0.250 3.827 -2.761 1.00 61.02 C ATOM 955 CG PRO A 62 -1.057 3.407 -2.180 1.00 23.14 C ATOM 956 CD PRO A 62 -2.028 4.507 -2.506 1.00 44.51 C ATOM 0 HA PRO A 62 0.569 5.428 -4.248 1.00 74.04 H new ATOM 0 HB2 PRO A 62 0.872 2.965 -3.000 1.00 61.02 H new ATOM 0 HB3 PRO A 62 0.815 4.443 -2.061 1.00 61.02 H new ATOM 0 HG2 PRO A 62 -1.386 2.458 -2.604 1.00 23.14 H new ATOM 0 HG3 PRO A 62 -0.977 3.264 -1.102 1.00 23.14 H new ATOM 0 HD2 PRO A 62 -3.034 4.120 -2.667 1.00 44.51 H new ATOM 0 HD3 PRO A 62 -2.093 5.238 -1.700 1.00 44.51 H new ATOM 964 N ASP A 63 0.917 3.916 -6.099 1.00 24.32 N ATOM 965 CA ASP A 63 1.070 3.115 -7.308 1.00 64.44 C ATOM 966 C ASP A 63 1.256 1.640 -6.964 1.00 33.12 C ATOM 967 O ASP A 63 1.081 0.768 -7.814 1.00 2.20 O ATOM 968 CB ASP A 63 2.260 3.614 -8.129 1.00 32.40 C ATOM 969 CG ASP A 63 3.445 3.991 -7.262 1.00 74.11 C ATOM 970 OD1 ASP A 63 3.886 3.143 -6.459 1.00 21.12 O ATOM 971 OD2 ASP A 63 3.931 5.134 -7.387 1.00 74.14 O ATOM 0 H ASP A 63 1.631 4.634 -5.976 1.00 24.32 H new ATOM 0 HA ASP A 63 0.161 3.219 -7.900 1.00 64.44 H new ATOM 0 HB2 ASP A 63 2.561 2.839 -8.834 1.00 32.40 H new ATOM 0 HB3 ASP A 63 1.954 4.479 -8.717 1.00 32.40 H new ATOM 977 N GLU A 64 1.613 1.371 -5.712 1.00 2.31 N ATOM 978 CA GLU A 64 1.825 0.001 -5.257 1.00 41.11 C ATOM 979 C GLU A 64 0.518 -0.786 -5.274 1.00 21.51 C ATOM 980 O GLU A 64 0.476 -1.933 -5.721 1.00 4.11 O ATOM 981 CB GLU A 64 2.418 -0.004 -3.846 1.00 34.31 C ATOM 982 CG GLU A 64 3.635 0.892 -3.694 1.00 11.31 C ATOM 983 CD GLU A 64 4.851 0.354 -4.422 1.00 23.42 C ATOM 984 OE1 GLU A 64 5.856 0.043 -3.749 1.00 5.20 O ATOM 985 OE2 GLU A 64 4.797 0.242 -5.666 1.00 14.54 O ATOM 0 H GLU A 64 1.761 2.082 -4.996 1.00 2.31 H new ATOM 0 HA GLU A 64 2.526 -0.478 -5.940 1.00 41.11 H new ATOM 0 HB2 GLU A 64 1.653 0.314 -3.138 1.00 34.31 H new ATOM 0 HB3 GLU A 64 2.693 -1.025 -3.580 1.00 34.31 H new ATOM 0 HG2 GLU A 64 3.399 1.886 -4.074 1.00 11.31 H new ATOM 0 HG3 GLU A 64 3.870 1.003 -2.635 1.00 11.31 H new ATOM 993 N LYS A 65 -0.548 -0.163 -4.785 1.00 71.32 N ATOM 994 CA LYS A 65 -1.857 -0.802 -4.744 1.00 21.55 C ATOM 995 C LYS A 65 -2.628 -0.548 -6.035 1.00 74.10 C ATOM 996 O LYS A 65 -3.466 -1.355 -6.441 1.00 42.35 O ATOM 997 CB LYS A 65 -2.662 -0.290 -3.547 1.00 3.22 C ATOM 998 CG LYS A 65 -3.406 1.005 -3.824 1.00 12.11 C ATOM 999 CD LYS A 65 -3.910 1.644 -2.541 1.00 32.11 C ATOM 1000 CE LYS A 65 -4.963 0.779 -1.864 1.00 43.52 C ATOM 1001 NZ LYS A 65 -5.206 1.201 -0.457 1.00 0.30 N ATOM 0 H LYS A 65 -0.531 0.786 -4.411 1.00 71.32 H new ATOM 0 HA LYS A 65 -1.705 -1.876 -4.638 1.00 21.55 H new ATOM 0 HB2 LYS A 65 -3.379 -1.055 -3.248 1.00 3.22 H new ATOM 0 HB3 LYS A 65 -1.988 -0.139 -2.704 1.00 3.22 H new ATOM 0 HG2 LYS A 65 -2.747 1.701 -4.343 1.00 12.11 H new ATOM 0 HG3 LYS A 65 -4.247 0.807 -4.488 1.00 12.11 H new ATOM 0 HD2 LYS A 65 -3.074 1.802 -1.859 1.00 32.11 H new ATOM 0 HD3 LYS A 65 -4.331 2.625 -2.763 1.00 32.11 H new ATOM 0 HE2 LYS A 65 -5.895 0.835 -2.426 1.00 43.52 H new ATOM 0 HE3 LYS A 65 -4.643 -0.263 -1.881 1.00 43.52 H new ATOM 0 HZ1 LYS A 65 -5.555 0.390 0.093 1.00 0.30 H new ATOM 0 HZ2 LYS A 65 -4.318 1.546 -0.040 1.00 0.30 H new ATOM 0 HZ3 LYS A 65 -5.915 1.962 -0.440 1.00 0.30 H new ATOM 1015 N THR A 66 -2.340 0.579 -6.678 1.00 61.12 N ATOM 1016 CA THR A 66 -3.006 0.941 -7.924 1.00 11.25 C ATOM 1017 C THR A 66 -2.487 0.104 -9.087 1.00 65.34 C ATOM 1018 O THR A 66 -3.217 -0.172 -10.039 1.00 43.22 O ATOM 1019 CB THR A 66 -2.811 2.433 -8.252 1.00 54.42 C ATOM 1020 OG1 THR A 66 -3.402 3.241 -7.228 1.00 12.00 O ATOM 1021 CG2 THR A 66 -3.433 2.776 -9.597 1.00 40.14 C ATOM 0 H THR A 66 -1.650 1.258 -6.357 1.00 61.12 H new ATOM 0 HA THR A 66 -4.069 0.744 -7.784 1.00 11.25 H new ATOM 0 HB THR A 66 -1.741 2.635 -8.301 1.00 54.42 H new ATOM 0 HG1 THR A 66 -3.272 4.188 -7.443 1.00 12.00 H new ATOM 0 HG21 THR A 66 -3.283 3.835 -9.808 1.00 40.14 H new ATOM 0 HG22 THR A 66 -2.961 2.180 -10.378 1.00 40.14 H new ATOM 0 HG23 THR A 66 -4.501 2.559 -9.570 1.00 40.14 H new ATOM 1029 N MET A 67 -1.223 -0.298 -9.003 1.00 62.33 N ATOM 1030 CA MET A 67 -0.607 -1.105 -10.051 1.00 30.11 C ATOM 1031 C MET A 67 -1.488 -2.299 -10.404 1.00 3.12 C ATOM 1032 O MET A 67 -1.919 -2.467 -11.545 1.00 71.22 O ATOM 1033 CB MET A 67 0.774 -1.589 -9.605 1.00 24.32 C ATOM 1034 CG MET A 67 1.920 -0.800 -10.216 1.00 52.41 C ATOM 1035 SD MET A 67 2.435 -1.449 -11.817 1.00 22.14 S ATOM 1036 CE MET A 67 1.322 -0.572 -12.912 1.00 34.04 C ATOM 0 H MET A 67 -0.606 -0.079 -8.221 1.00 62.33 H new ATOM 0 HA MET A 67 -0.496 -0.482 -10.939 1.00 30.11 H new ATOM 0 HB2 MET A 67 0.839 -1.526 -8.519 1.00 24.32 H new ATOM 0 HB3 MET A 67 0.885 -2.640 -9.871 1.00 24.32 H new ATOM 0 HG2 MET A 67 1.619 0.241 -10.330 1.00 52.41 H new ATOM 0 HG3 MET A 67 2.769 -0.813 -9.533 1.00 52.41 H new ATOM 0 HE1 MET A 67 1.735 -0.564 -13.921 1.00 34.04 H new ATOM 0 HE2 MET A 67 0.353 -1.071 -12.921 1.00 34.04 H new ATOM 0 HE3 MET A 67 1.199 0.453 -12.562 1.00 34.04 H new ATOM 1046 N PRO A 68 -1.762 -3.150 -9.404 1.00 33.43 N ATOM 1047 CA PRO A 68 -2.594 -4.344 -9.586 1.00 52.10 C ATOM 1048 C PRO A 68 -4.060 -3.998 -9.825 1.00 5.14 C ATOM 1049 O PRO A 68 -4.848 -4.847 -10.241 1.00 74.33 O ATOM 1050 CB PRO A 68 -2.430 -5.095 -8.263 1.00 13.00 C ATOM 1051 CG PRO A 68 -2.082 -4.041 -7.269 1.00 72.54 C ATOM 1052 CD PRO A 68 -1.282 -3.013 -8.019 1.00 3.40 C ATOM 0 HA PRO A 68 -2.293 -4.922 -10.460 1.00 52.10 H new ATOM 0 HB2 PRO A 68 -3.348 -5.613 -7.986 1.00 13.00 H new ATOM 0 HB3 PRO A 68 -1.646 -5.849 -8.331 1.00 13.00 H new ATOM 0 HG2 PRO A 68 -2.980 -3.599 -6.839 1.00 72.54 H new ATOM 0 HG3 PRO A 68 -1.505 -4.458 -6.443 1.00 72.54 H new ATOM 0 HD2 PRO A 68 -1.454 -2.009 -7.632 1.00 3.40 H new ATOM 0 HD3 PRO A 68 -0.211 -3.204 -7.944 1.00 3.40 H new ATOM 1060 N VAL A 69 -4.419 -2.746 -9.559 1.00 3.24 N ATOM 1061 CA VAL A 69 -5.790 -2.287 -9.746 1.00 21.41 C ATOM 1062 C VAL A 69 -6.061 -1.950 -11.207 1.00 71.12 C ATOM 1063 O VAL A 69 -6.983 -2.491 -11.820 1.00 22.43 O ATOM 1064 CB VAL A 69 -6.091 -1.050 -8.880 1.00 14.13 C ATOM 1065 CG1 VAL A 69 -7.390 -0.393 -9.321 1.00 43.05 C ATOM 1066 CG2 VAL A 69 -6.150 -1.431 -7.409 1.00 35.35 C ATOM 0 H VAL A 69 -3.779 -2.031 -9.213 1.00 3.24 H new ATOM 0 HA VAL A 69 -6.443 -3.104 -9.437 1.00 21.41 H new ATOM 0 HB VAL A 69 -5.284 -0.330 -9.013 1.00 14.13 H new ATOM 0 HG11 VAL A 69 -7.586 0.479 -8.698 1.00 43.05 H new ATOM 0 HG12 VAL A 69 -7.306 -0.083 -10.363 1.00 43.05 H new ATOM 0 HG13 VAL A 69 -8.210 -1.104 -9.219 1.00 43.05 H new ATOM 0 HG21 VAL A 69 -6.364 -0.545 -6.812 1.00 35.35 H new ATOM 0 HG22 VAL A 69 -6.937 -2.170 -7.256 1.00 35.35 H new ATOM 0 HG23 VAL A 69 -5.192 -1.852 -7.104 1.00 35.35 H new ATOM 1076 N LEU A 70 -5.253 -1.053 -11.762 1.00 75.41 N ATOM 1077 CA LEU A 70 -5.406 -0.643 -13.154 1.00 14.51 C ATOM 1078 C LEU A 70 -5.223 -1.829 -14.094 1.00 74.52 C ATOM 1079 O LEU A 70 -5.981 -1.999 -15.049 1.00 43.14 O ATOM 1080 CB LEU A 70 -4.397 0.454 -13.495 1.00 44.24 C ATOM 1081 CG LEU A 70 -2.924 0.044 -13.468 1.00 52.51 C ATOM 1082 CD1 LEU A 70 -2.464 -0.388 -14.850 1.00 25.51 C ATOM 1083 CD2 LEU A 70 -2.062 1.185 -12.949 1.00 51.33 C ATOM 0 H LEU A 70 -4.486 -0.596 -11.270 1.00 75.41 H new ATOM 0 HA LEU A 70 -6.416 -0.253 -13.284 1.00 14.51 H new ATOM 0 HB2 LEU A 70 -4.629 0.836 -14.489 1.00 44.24 H new ATOM 0 HB3 LEU A 70 -4.537 1.278 -12.796 1.00 44.24 H new ATOM 0 HG LEU A 70 -2.816 -0.803 -12.791 1.00 52.51 H new ATOM 0 HD11 LEU A 70 -1.413 -0.676 -14.810 1.00 25.51 H new ATOM 0 HD12 LEU A 70 -3.061 -1.237 -15.183 1.00 25.51 H new ATOM 0 HD13 LEU A 70 -2.587 0.439 -15.549 1.00 25.51 H new ATOM 0 HD21 LEU A 70 -1.017 0.875 -12.937 1.00 51.33 H new ATOM 0 HD22 LEU A 70 -2.176 2.052 -13.600 1.00 51.33 H new ATOM 0 HD23 LEU A 70 -2.375 1.447 -11.938 1.00 51.33 H new ATOM 1095 N MET A 71 -4.215 -2.649 -13.816 1.00 13.44 N ATOM 1096 CA MET A 71 -3.936 -3.822 -14.635 1.00 21.42 C ATOM 1097 C MET A 71 -5.118 -4.785 -14.627 1.00 15.22 C ATOM 1098 O MET A 71 -5.284 -5.590 -15.544 1.00 71.33 O ATOM 1099 CB MET A 71 -2.679 -4.535 -14.131 1.00 31.30 C ATOM 1100 CG MET A 71 -2.935 -5.454 -12.948 1.00 13.44 C ATOM 1101 SD MET A 71 -3.208 -7.166 -13.444 1.00 52.31 S ATOM 1102 CE MET A 71 -2.357 -8.039 -12.132 1.00 73.42 C ATOM 0 H MET A 71 -3.578 -2.523 -13.030 1.00 13.44 H new ATOM 0 HA MET A 71 -3.770 -3.488 -15.659 1.00 21.42 H new ATOM 0 HB2 MET A 71 -2.250 -5.117 -14.947 1.00 31.30 H new ATOM 0 HB3 MET A 71 -1.937 -3.789 -13.847 1.00 31.30 H new ATOM 0 HG2 MET A 71 -2.085 -5.408 -12.267 1.00 13.44 H new ATOM 0 HG3 MET A 71 -3.805 -5.096 -12.397 1.00 13.44 H new ATOM 0 HE1 MET A 71 -2.452 -9.113 -12.289 1.00 73.42 H new ATOM 0 HE2 MET A 71 -1.302 -7.763 -12.136 1.00 73.42 H new ATOM 0 HE3 MET A 71 -2.798 -7.772 -11.172 1.00 73.42 H new ATOM 1112 N LYS A 72 -5.939 -4.699 -13.585 1.00 22.31 N ATOM 1113 CA LYS A 72 -7.108 -5.562 -13.458 1.00 32.00 C ATOM 1114 C LYS A 72 -8.197 -5.152 -14.443 1.00 43.23 C ATOM 1115 O LYS A 72 -8.976 -5.986 -14.906 1.00 64.51 O ATOM 1116 CB LYS A 72 -7.653 -5.509 -12.028 1.00 43.35 C ATOM 1117 CG LYS A 72 -8.763 -6.511 -11.764 1.00 10.34 C ATOM 1118 CD LYS A 72 -10.083 -5.817 -11.474 1.00 44.00 C ATOM 1119 CE LYS A 72 -10.859 -5.538 -12.752 1.00 25.03 C ATOM 1120 NZ LYS A 72 -12.318 -5.395 -12.496 1.00 31.12 N ATOM 0 H LYS A 72 -5.816 -4.040 -12.816 1.00 22.31 H new ATOM 0 HA LYS A 72 -6.802 -6.583 -13.687 1.00 32.00 H new ATOM 0 HB2 LYS A 72 -6.836 -5.692 -11.330 1.00 43.35 H new ATOM 0 HB3 LYS A 72 -8.026 -4.505 -11.827 1.00 43.35 H new ATOM 0 HG2 LYS A 72 -8.877 -7.165 -12.628 1.00 10.34 H new ATOM 0 HG3 LYS A 72 -8.490 -7.144 -10.919 1.00 10.34 H new ATOM 0 HD2 LYS A 72 -10.684 -6.439 -10.811 1.00 44.00 H new ATOM 0 HD3 LYS A 72 -9.895 -4.880 -10.949 1.00 44.00 H new ATOM 0 HE2 LYS A 72 -10.481 -4.626 -13.215 1.00 25.03 H new ATOM 0 HE3 LYS A 72 -10.693 -6.348 -13.462 1.00 25.03 H new ATOM 0 HZ1 LYS A 72 -12.811 -5.206 -13.392 1.00 31.12 H new ATOM 0 HZ2 LYS A 72 -12.685 -6.274 -12.078 1.00 31.12 H new ATOM 0 HZ3 LYS A 72 -12.479 -4.605 -11.839 1.00 31.12 H new ATOM 1134 N LEU A 73 -8.246 -3.863 -14.762 1.00 35.10 N ATOM 1135 CA LEU A 73 -9.239 -3.342 -15.694 1.00 73.41 C ATOM 1136 C LEU A 73 -8.928 -3.779 -17.122 1.00 2.32 C ATOM 1137 O LEU A 73 -9.809 -4.238 -17.849 1.00 61.20 O ATOM 1138 CB LEU A 73 -9.291 -1.816 -15.616 1.00 15.22 C ATOM 1139 CG LEU A 73 -9.121 -1.209 -14.222 1.00 42.20 C ATOM 1140 CD1 LEU A 73 -9.256 0.305 -14.279 1.00 33.14 C ATOM 1141 CD2 LEU A 73 -10.135 -1.802 -13.256 1.00 55.33 C ATOM 0 H LEU A 73 -7.609 -3.159 -14.388 1.00 35.10 H new ATOM 0 HA LEU A 73 -10.211 -3.747 -15.413 1.00 73.41 H new ATOM 0 HB2 LEU A 73 -8.513 -1.412 -16.264 1.00 15.22 H new ATOM 0 HB3 LEU A 73 -10.247 -1.484 -16.021 1.00 15.22 H new ATOM 0 HG LEU A 73 -8.121 -1.450 -13.860 1.00 42.20 H new ATOM 0 HD11 LEU A 73 -9.132 0.719 -13.278 1.00 33.14 H new ATOM 0 HD12 LEU A 73 -8.490 0.714 -14.938 1.00 33.14 H new ATOM 0 HD13 LEU A 73 -10.242 0.568 -14.661 1.00 33.14 H new ATOM 0 HD21 LEU A 73 -10.000 -1.359 -12.269 1.00 55.33 H new ATOM 0 HD22 LEU A 73 -11.143 -1.592 -13.613 1.00 55.33 H new ATOM 0 HD23 LEU A 73 -9.990 -2.880 -13.193 1.00 55.33 H new ATOM 1153 N LEU A 74 -7.667 -3.635 -17.516 1.00 62.24 N ATOM 1154 CA LEU A 74 -7.237 -4.017 -18.857 1.00 43.25 C ATOM 1155 C LEU A 74 -7.418 -5.515 -19.082 1.00 34.11 C ATOM 1156 O LEU A 74 -7.542 -5.971 -20.218 1.00 44.13 O ATOM 1157 CB LEU A 74 -5.773 -3.630 -19.074 1.00 31.23 C ATOM 1158 CG LEU A 74 -5.490 -2.137 -19.239 1.00 0.03 C ATOM 1159 CD1 LEU A 74 -6.385 -1.539 -20.313 1.00 23.44 C ATOM 1160 CD2 LEU A 74 -5.683 -1.409 -17.916 1.00 42.31 C ATOM 0 H LEU A 74 -6.925 -3.257 -16.927 1.00 62.24 H new ATOM 0 HA LEU A 74 -7.858 -3.483 -19.576 1.00 43.25 H new ATOM 0 HB2 LEU A 74 -5.192 -3.998 -18.229 1.00 31.23 H new ATOM 0 HB3 LEU A 74 -5.409 -4.148 -19.961 1.00 31.23 H new ATOM 0 HG LEU A 74 -4.453 -2.016 -19.551 1.00 0.03 H new ATOM 0 HD11 LEU A 74 -6.169 -0.476 -20.416 1.00 23.44 H new ATOM 0 HD12 LEU A 74 -6.199 -2.041 -21.263 1.00 23.44 H new ATOM 0 HD13 LEU A 74 -7.430 -1.671 -20.031 1.00 23.44 H new ATOM 0 HD21 LEU A 74 -5.477 -0.347 -18.052 1.00 42.31 H new ATOM 0 HD22 LEU A 74 -6.710 -1.539 -17.576 1.00 42.31 H new ATOM 0 HD23 LEU A 74 -5.000 -1.819 -17.172 1.00 42.31 H new ATOM 1172 N GLU A 75 -7.434 -6.274 -17.990 1.00 71.13 N ATOM 1173 CA GLU A 75 -7.602 -7.720 -18.069 1.00 75.24 C ATOM 1174 C GLU A 75 -8.917 -8.079 -18.756 1.00 0.00 C ATOM 1175 O GLU A 75 -8.935 -8.836 -19.726 1.00 41.24 O ATOM 1176 CB GLU A 75 -7.561 -8.337 -16.669 1.00 3.11 C ATOM 1177 CG GLU A 75 -6.290 -9.122 -16.387 1.00 71.45 C ATOM 1178 CD GLU A 75 -6.561 -10.586 -16.103 1.00 11.04 C ATOM 1179 OE1 GLU A 75 -6.765 -11.350 -17.069 1.00 22.31 O ATOM 1180 OE2 GLU A 75 -6.568 -10.968 -14.914 1.00 22.23 O ATOM 0 H GLU A 75 -7.333 -5.912 -17.042 1.00 71.13 H new ATOM 0 HA GLU A 75 -6.781 -8.124 -18.661 1.00 75.24 H new ATOM 0 HB2 GLU A 75 -7.660 -7.543 -15.928 1.00 3.11 H new ATOM 0 HB3 GLU A 75 -8.420 -8.996 -16.546 1.00 3.11 H new ATOM 0 HG2 GLU A 75 -5.619 -9.040 -17.242 1.00 71.45 H new ATOM 0 HG3 GLU A 75 -5.775 -8.679 -15.534 1.00 71.45 H new ATOM 1188 N GLU A 76 -10.014 -7.530 -18.244 1.00 71.41 N ATOM 1189 CA GLU A 76 -11.333 -7.794 -18.809 1.00 12.13 C ATOM 1190 C GLU A 76 -11.550 -6.986 -20.085 1.00 14.25 C ATOM 1191 O GLU A 76 -12.263 -7.417 -20.991 1.00 30.25 O ATOM 1192 CB GLU A 76 -12.424 -7.460 -17.788 1.00 21.10 C ATOM 1193 CG GLU A 76 -12.213 -8.117 -16.434 1.00 64.12 C ATOM 1194 CD GLU A 76 -12.368 -9.624 -16.486 1.00 75.21 C ATOM 1195 OE1 GLU A 76 -11.508 -10.288 -17.101 1.00 33.32 O ATOM 1196 OE2 GLU A 76 -13.350 -10.139 -15.912 1.00 20.24 O ATOM 0 H GLU A 76 -10.016 -6.901 -17.441 1.00 71.41 H new ATOM 0 HA GLU A 76 -11.389 -8.854 -19.058 1.00 12.13 H new ATOM 0 HB2 GLU A 76 -12.467 -6.379 -17.655 1.00 21.10 H new ATOM 0 HB3 GLU A 76 -13.390 -7.770 -18.186 1.00 21.10 H new ATOM 0 HG2 GLU A 76 -11.217 -7.871 -16.066 1.00 64.12 H new ATOM 0 HG3 GLU A 76 -12.927 -7.707 -15.720 1.00 64.12 H new ATOM 1204 N ALA A 77 -10.931 -5.812 -20.147 1.00 72.14 N ATOM 1205 CA ALA A 77 -11.055 -4.944 -21.312 1.00 20.04 C ATOM 1206 C ALA A 77 -10.065 -5.342 -22.401 1.00 31.42 C ATOM 1207 O ALA A 77 -9.960 -4.678 -23.431 1.00 30.02 O ATOM 1208 CB ALA A 77 -10.847 -3.491 -20.912 1.00 41.12 C ATOM 0 H ALA A 77 -10.339 -5.440 -19.405 1.00 72.14 H new ATOM 0 HA ALA A 77 -12.062 -5.058 -21.714 1.00 20.04 H new ATOM 0 HB1 ALA A 77 -10.942 -2.854 -21.792 1.00 41.12 H new ATOM 0 HB2 ALA A 77 -11.597 -3.206 -20.174 1.00 41.12 H new ATOM 0 HB3 ALA A 77 -9.852 -3.371 -20.483 1.00 41.12 H new ATOM 1214 N GLY A 78 -9.339 -6.431 -22.165 1.00 42.12 N ATOM 1215 CA GLY A 78 -8.366 -6.898 -23.135 1.00 43.22 C ATOM 1216 C GLY A 78 -7.366 -5.823 -23.518 1.00 72.00 C ATOM 1217 O GLY A 78 -6.768 -5.875 -24.591 1.00 33.51 O ATOM 0 H GLY A 78 -9.408 -6.998 -21.320 1.00 42.12 H new ATOM 0 HA2 GLY A 78 -7.833 -7.756 -22.726 1.00 43.22 H new ATOM 0 HA3 GLY A 78 -8.885 -7.242 -24.029 1.00 43.22 H new ATOM 1221 N GLY A 79 -7.186 -4.843 -22.636 1.00 34.42 N ATOM 1222 CA GLY A 79 -6.255 -3.765 -22.906 1.00 43.44 C ATOM 1223 C GLY A 79 -6.905 -2.603 -23.631 1.00 22.53 C ATOM 1224 O GLY A 79 -6.307 -2.007 -24.525 1.00 61.00 O ATOM 0 H GLY A 79 -7.669 -4.778 -21.740 1.00 34.42 H new ATOM 0 HA2 GLY A 79 -5.832 -3.411 -21.966 1.00 43.44 H new ATOM 0 HA3 GLY A 79 -5.428 -4.146 -23.505 1.00 43.44 H new ATOM 1228 N ASN A 80 -8.136 -2.283 -23.246 1.00 11.44 N ATOM 1229 CA ASN A 80 -8.870 -1.186 -23.867 1.00 74.22 C ATOM 1230 C ASN A 80 -9.144 -0.075 -22.858 1.00 61.14 C ATOM 1231 O ASN A 80 -9.993 -0.217 -21.978 1.00 53.21 O ATOM 1232 CB ASN A 80 -10.189 -1.695 -24.453 1.00 2.33 C ATOM 1233 CG ASN A 80 -10.565 -0.982 -25.737 1.00 5.53 C ATOM 1234 OD1 ASN A 80 -11.078 0.236 -25.609 1.00 31.04 O flip ATOM 1235 ND2 ASN A 80 -10.394 -1.519 -26.831 1.00 44.12 N flip ATOM 0 H ASN A 80 -8.646 -2.767 -22.507 1.00 11.44 H new ATOM 0 HA ASN A 80 -8.256 -0.779 -24.670 1.00 74.22 H new ATOM 0 HB2 ASN A 80 -10.109 -2.765 -24.645 1.00 2.33 H new ATOM 0 HB3 ASN A 80 -10.985 -1.561 -23.720 1.00 2.33 H new ATOM 0 HD21 ASN A 80 -9.996 -2.457 -26.882 1.00 44.12 H new ATOM 0 HD22 ASN A 80 -10.650 -1.026 -27.687 1.00 44.12 H new ATOM 1242 N TRP A 81 -8.419 1.030 -22.993 1.00 33.40 N ATOM 1243 CA TRP A 81 -8.584 2.167 -22.094 1.00 75.00 C ATOM 1244 C TRP A 81 -9.761 3.036 -22.525 1.00 21.44 C ATOM 1245 O TRP A 81 -10.301 3.805 -21.729 1.00 43.21 O ATOM 1246 CB TRP A 81 -7.305 3.003 -22.055 1.00 3.12 C ATOM 1247 CG TRP A 81 -6.105 2.231 -21.597 1.00 41.34 C ATOM 1248 CD1 TRP A 81 -5.352 1.368 -22.341 1.00 64.03 C ATOM 1249 CD2 TRP A 81 -5.520 2.252 -20.291 1.00 13.54 C ATOM 1250 NE1 TRP A 81 -4.335 0.851 -21.575 1.00 62.43 N ATOM 1251 CE2 TRP A 81 -4.417 1.378 -20.313 1.00 4.32 C ATOM 1252 CE3 TRP A 81 -5.821 2.925 -19.103 1.00 52.14 C ATOM 1253 CZ2 TRP A 81 -3.615 1.160 -19.195 1.00 60.32 C ATOM 1254 CZ3 TRP A 81 -5.026 2.708 -17.994 1.00 22.01 C ATOM 1255 CH2 TRP A 81 -3.932 1.832 -18.046 1.00 73.42 C ATOM 0 H TRP A 81 -7.712 1.163 -23.716 1.00 33.40 H new ATOM 0 HA TRP A 81 -8.788 1.781 -21.095 1.00 75.00 H new ATOM 0 HB2 TRP A 81 -7.112 3.405 -23.050 1.00 3.12 H new ATOM 0 HB3 TRP A 81 -7.456 3.854 -21.391 1.00 3.12 H new ATOM 0 HD1 TRP A 81 -5.530 1.127 -23.379 1.00 64.03 H new ATOM 0 HE1 TRP A 81 -3.633 0.183 -21.894 1.00 62.43 H new ATOM 0 HE3 TRP A 81 -6.660 3.603 -19.053 1.00 52.14 H new ATOM 0 HZ2 TRP A 81 -2.773 0.485 -19.234 1.00 60.32 H new ATOM 0 HZ3 TRP A 81 -5.251 3.222 -17.071 1.00 22.01 H new ATOM 0 HH2 TRP A 81 -3.328 1.685 -17.163 1.00 73.42 H new ATOM 1266 N SER A 82 -10.156 2.906 -23.788 1.00 44.44 N ATOM 1267 CA SER A 82 -11.266 3.683 -24.325 1.00 11.00 C ATOM 1268 C SER A 82 -12.506 3.535 -23.448 1.00 53.31 C ATOM 1269 O SER A 82 -13.106 4.526 -23.030 1.00 33.23 O ATOM 1270 CB SER A 82 -11.583 3.240 -25.754 1.00 22.34 C ATOM 1271 OG SER A 82 -12.177 4.291 -26.495 1.00 1.22 O ATOM 0 H SER A 82 -9.723 2.270 -24.458 1.00 44.44 H new ATOM 0 HA SER A 82 -10.971 4.732 -24.335 1.00 11.00 H new ATOM 0 HB2 SER A 82 -10.668 2.915 -26.248 1.00 22.34 H new ATOM 0 HB3 SER A 82 -12.255 2.382 -25.731 1.00 22.34 H new ATOM 0 HG SER A 82 -12.368 3.982 -27.405 1.00 1.22 H new ATOM 1277 N TYR A 83 -12.884 2.292 -23.174 1.00 22.43 N ATOM 1278 CA TYR A 83 -14.054 2.013 -22.350 1.00 60.12 C ATOM 1279 C TYR A 83 -13.740 2.218 -20.871 1.00 44.11 C ATOM 1280 O TYR A 83 -14.540 2.787 -20.128 1.00 61.42 O ATOM 1281 CB TYR A 83 -14.540 0.582 -22.585 1.00 20.43 C ATOM 1282 CG TYR A 83 -15.391 0.037 -21.460 1.00 53.44 C ATOM 1283 CD1 TYR A 83 -16.770 0.202 -21.464 1.00 73.20 C ATOM 1284 CD2 TYR A 83 -14.814 -0.638 -20.391 1.00 71.15 C ATOM 1285 CE1 TYR A 83 -17.552 -0.293 -20.437 1.00 63.11 C ATOM 1286 CE2 TYR A 83 -15.588 -1.137 -19.361 1.00 1.31 C ATOM 1287 CZ TYR A 83 -16.956 -0.961 -19.388 1.00 31.12 C ATOM 1288 OH TYR A 83 -17.730 -1.456 -18.363 1.00 4.30 O ATOM 0 H TYR A 83 -12.397 1.461 -23.510 1.00 22.43 H new ATOM 0 HA TYR A 83 -14.842 2.709 -22.636 1.00 60.12 H new ATOM 0 HB2 TYR A 83 -15.114 0.550 -23.511 1.00 20.43 H new ATOM 0 HB3 TYR A 83 -13.676 -0.068 -22.723 1.00 20.43 H new ATOM 0 HD1 TYR A 83 -17.239 0.726 -22.283 1.00 73.20 H new ATOM 0 HD2 TYR A 83 -13.743 -0.775 -20.365 1.00 71.15 H new ATOM 0 HE1 TYR A 83 -18.623 -0.157 -20.456 1.00 63.11 H new ATOM 0 HE2 TYR A 83 -15.124 -1.662 -18.539 1.00 1.31 H new ATOM 0 HH TYR A 83 -17.156 -1.900 -17.705 1.00 4.30 H new ATOM 1298 N ILE A 84 -12.569 1.752 -20.451 1.00 65.22 N ATOM 1299 CA ILE A 84 -12.147 1.886 -19.063 1.00 4.44 C ATOM 1300 C ILE A 84 -12.109 3.350 -18.638 1.00 61.11 C ATOM 1301 O ILE A 84 -12.267 3.671 -17.460 1.00 44.10 O ATOM 1302 CB ILE A 84 -10.758 1.261 -18.834 1.00 30.13 C ATOM 1303 CG1 ILE A 84 -10.806 -0.248 -19.085 1.00 51.14 C ATOM 1304 CG2 ILE A 84 -10.272 1.553 -17.422 1.00 11.10 C ATOM 1305 CD1 ILE A 84 -9.448 -0.912 -19.037 1.00 42.43 C ATOM 0 H ILE A 84 -11.895 1.278 -21.053 1.00 65.22 H new ATOM 0 HA ILE A 84 -12.881 1.354 -18.458 1.00 4.44 H new ATOM 0 HB ILE A 84 -10.055 1.706 -19.539 1.00 30.13 H new ATOM 0 HG12 ILE A 84 -11.454 -0.711 -18.341 1.00 51.14 H new ATOM 0 HG13 ILE A 84 -11.257 -0.432 -20.060 1.00 51.14 H new ATOM 0 HG21 ILE A 84 -9.289 1.105 -17.275 1.00 11.10 H new ATOM 0 HG22 ILE A 84 -10.205 2.631 -17.276 1.00 11.10 H new ATOM 0 HG23 ILE A 84 -10.974 1.133 -16.701 1.00 11.10 H new ATOM 0 HD11 ILE A 84 -9.559 -1.980 -19.223 1.00 42.43 H new ATOM 0 HD12 ILE A 84 -8.802 -0.475 -19.799 1.00 42.43 H new ATOM 0 HD13 ILE A 84 -9.003 -0.759 -18.054 1.00 42.43 H new ATOM 1317 N LYS A 85 -11.901 4.235 -19.607 1.00 50.41 N ATOM 1318 CA LYS A 85 -11.846 5.668 -19.336 1.00 4.22 C ATOM 1319 C LYS A 85 -13.189 6.329 -19.627 1.00 33.33 C ATOM 1320 O LYS A 85 -13.316 7.553 -19.571 1.00 1.55 O ATOM 1321 CB LYS A 85 -10.750 6.324 -20.177 1.00 43.31 C ATOM 1322 CG LYS A 85 -11.241 6.847 -21.516 1.00 2.10 C ATOM 1323 CD LYS A 85 -10.147 6.796 -22.570 1.00 33.10 C ATOM 1324 CE LYS A 85 -8.859 7.428 -22.067 1.00 5.21 C ATOM 1325 NZ LYS A 85 -9.086 8.799 -21.531 1.00 1.01 N ATOM 0 H LYS A 85 -11.768 3.986 -20.587 1.00 50.41 H new ATOM 0 HA LYS A 85 -11.616 5.804 -18.279 1.00 4.22 H new ATOM 0 HB2 LYS A 85 -10.315 7.148 -19.612 1.00 43.31 H new ATOM 0 HB3 LYS A 85 -9.954 5.600 -20.349 1.00 43.31 H new ATOM 0 HG2 LYS A 85 -12.095 6.256 -21.848 1.00 2.10 H new ATOM 0 HG3 LYS A 85 -11.589 7.873 -21.401 1.00 2.10 H new ATOM 0 HD2 LYS A 85 -9.959 5.760 -22.851 1.00 33.10 H new ATOM 0 HD3 LYS A 85 -10.481 7.315 -23.468 1.00 33.10 H new ATOM 0 HE2 LYS A 85 -8.427 6.800 -21.288 1.00 5.21 H new ATOM 0 HE3 LYS A 85 -8.134 7.471 -22.880 1.00 5.21 H new ATOM 0 HZ1 LYS A 85 -8.286 9.410 -21.791 1.00 1.01 H new ATOM 0 HZ2 LYS A 85 -9.963 9.188 -21.932 1.00 1.01 H new ATOM 0 HZ3 LYS A 85 -9.168 8.758 -20.495 1.00 1.01 H new ATOM 1339 N LEU A 86 -14.190 5.512 -19.936 1.00 33.24 N ATOM 1340 CA LEU A 86 -15.526 6.017 -20.233 1.00 44.53 C ATOM 1341 C LEU A 86 -16.127 6.718 -19.019 1.00 2.41 C ATOM 1342 O LEU A 86 -17.099 7.464 -19.138 1.00 33.04 O ATOM 1343 CB LEU A 86 -16.438 4.873 -20.679 1.00 14.34 C ATOM 1344 CG LEU A 86 -17.727 5.282 -21.394 1.00 13.33 C ATOM 1345 CD1 LEU A 86 -18.090 4.263 -22.463 1.00 45.45 C ATOM 1346 CD2 LEU A 86 -18.865 5.436 -20.395 1.00 2.31 C ATOM 0 H LEU A 86 -14.102 4.497 -19.987 1.00 33.24 H new ATOM 0 HA LEU A 86 -15.441 6.742 -21.042 1.00 44.53 H new ATOM 0 HB2 LEU A 86 -15.870 4.220 -21.341 1.00 14.34 H new ATOM 0 HB3 LEU A 86 -16.704 4.284 -19.801 1.00 14.34 H new ATOM 0 HG LEU A 86 -17.562 6.244 -21.878 1.00 13.33 H new ATOM 0 HD11 LEU A 86 -19.010 4.570 -22.961 1.00 45.45 H new ATOM 0 HD12 LEU A 86 -17.284 4.200 -23.195 1.00 45.45 H new ATOM 0 HD13 LEU A 86 -18.237 3.287 -22.000 1.00 45.45 H new ATOM 0 HD21 LEU A 86 -19.774 5.727 -20.921 1.00 2.31 H new ATOM 0 HD22 LEU A 86 -19.030 4.488 -19.883 1.00 2.31 H new ATOM 0 HD23 LEU A 86 -18.607 6.203 -19.665 1.00 2.31 H new ATOM 1358 N ASP A 87 -15.538 6.477 -17.853 1.00 33.45 N ATOM 1359 CA ASP A 87 -16.014 7.087 -16.616 1.00 0.12 C ATOM 1360 C ASP A 87 -14.847 7.622 -15.792 1.00 51.12 C ATOM 1361 O ASP A 87 -14.928 7.709 -14.567 1.00 65.52 O ATOM 1362 CB ASP A 87 -16.811 6.072 -15.795 1.00 71.11 C ATOM 1363 CG ASP A 87 -17.801 5.295 -16.639 1.00 75.51 C ATOM 1364 OD1 ASP A 87 -19.018 5.542 -16.505 1.00 34.32 O ATOM 1365 OD2 ASP A 87 -17.360 4.440 -17.434 1.00 3.20 O ATOM 0 H ASP A 87 -14.731 5.864 -17.738 1.00 33.45 H new ATOM 0 HA ASP A 87 -16.665 7.921 -16.878 1.00 0.12 H new ATOM 0 HB2 ASP A 87 -16.123 5.376 -15.315 1.00 71.11 H new ATOM 0 HB3 ASP A 87 -17.345 6.592 -15.000 1.00 71.11 H new ATOM 1371 N ASN A 88 -13.762 7.979 -16.473 1.00 32.55 N ATOM 1372 CA ASN A 88 -12.578 8.504 -15.803 1.00 0.01 C ATOM 1373 C ASN A 88 -11.937 7.440 -14.917 1.00 40.05 C ATOM 1374 O ASN A 88 -11.507 7.724 -13.799 1.00 72.15 O ATOM 1375 CB ASN A 88 -12.943 9.730 -14.964 1.00 54.41 C ATOM 1376 CG ASN A 88 -11.869 10.799 -15.003 1.00 2.34 C ATOM 1377 OD1 ASN A 88 -10.621 10.390 -14.799 1.00 33.15 O flip ATOM 1378 ND2 ASN A 88 -12.156 11.978 -15.213 1.00 73.04 N flip ATOM 0 H ASN A 88 -13.679 7.914 -17.488 1.00 32.55 H new ATOM 0 HA ASN A 88 -11.858 8.796 -16.568 1.00 0.01 H new ATOM 0 HB2 ASN A 88 -13.882 10.149 -15.327 1.00 54.41 H new ATOM 0 HB3 ASN A 88 -13.109 9.423 -13.931 1.00 54.41 H new ATOM 0 HD21 ASN A 88 -13.128 12.247 -15.364 1.00 73.04 H new ATOM 0 HD22 ASN A 88 -11.422 12.685 -15.235 1.00 73.04 H new ATOM 1385 N TYR A 89 -11.874 6.215 -15.427 1.00 12.33 N ATOM 1386 CA TYR A 89 -11.287 5.107 -14.682 1.00 41.42 C ATOM 1387 C TYR A 89 -12.037 4.870 -13.375 1.00 54.13 C ATOM 1388 O TYR A 89 -11.432 4.612 -12.334 1.00 15.20 O ATOM 1389 CB TYR A 89 -9.811 5.387 -14.392 1.00 10.44 C ATOM 1390 CG TYR A 89 -8.985 5.634 -15.634 1.00 15.14 C ATOM 1391 CD1 TYR A 89 -9.327 5.049 -16.847 1.00 30.04 C ATOM 1392 CD2 TYR A 89 -7.865 6.454 -15.594 1.00 42.54 C ATOM 1393 CE1 TYR A 89 -8.575 5.272 -17.983 1.00 64.30 C ATOM 1394 CE2 TYR A 89 -7.107 6.684 -16.726 1.00 64.41 C ATOM 1395 CZ TYR A 89 -7.466 6.090 -17.919 1.00 53.32 C ATOM 1396 OH TYR A 89 -6.716 6.316 -19.050 1.00 61.34 O ATOM 0 H TYR A 89 -12.222 5.964 -16.352 1.00 12.33 H new ATOM 0 HA TYR A 89 -11.368 4.208 -15.293 1.00 41.42 H new ATOM 0 HB2 TYR A 89 -9.737 6.256 -13.738 1.00 10.44 H new ATOM 0 HB3 TYR A 89 -9.390 4.542 -13.848 1.00 10.44 H new ATOM 0 HD1 TYR A 89 -10.195 4.409 -16.902 1.00 30.04 H new ATOM 0 HD2 TYR A 89 -7.582 6.920 -14.662 1.00 42.54 H new ATOM 0 HE1 TYR A 89 -8.854 4.808 -18.918 1.00 64.30 H new ATOM 0 HE2 TYR A 89 -6.239 7.325 -16.678 1.00 64.41 H new ATOM 0 HH TYR A 89 -6.222 5.502 -19.283 1.00 61.34 H new ATOM 1406 N THR A 90 -13.363 4.959 -13.437 1.00 24.41 N ATOM 1407 CA THR A 90 -14.198 4.754 -12.261 1.00 51.44 C ATOM 1408 C THR A 90 -13.850 3.447 -11.559 1.00 22.12 C ATOM 1409 O THR A 90 -13.932 3.348 -10.335 1.00 25.41 O ATOM 1410 CB THR A 90 -15.694 4.744 -12.629 1.00 23.31 C ATOM 1411 OG1 THR A 90 -16.117 6.060 -13.000 1.00 31.11 O ATOM 1412 CG2 THR A 90 -16.534 4.244 -11.464 1.00 54.14 C ATOM 0 H THR A 90 -13.881 5.172 -14.290 1.00 24.41 H new ATOM 0 HA THR A 90 -14.003 5.588 -11.586 1.00 51.44 H new ATOM 0 HB THR A 90 -15.833 4.068 -13.473 1.00 23.31 H new ATOM 0 HG1 THR A 90 -15.386 6.520 -13.464 1.00 31.11 H new ATOM 0 HG21 THR A 90 -17.587 4.246 -11.747 1.00 54.14 H new ATOM 0 HG22 THR A 90 -16.230 3.230 -11.205 1.00 54.14 H new ATOM 0 HG23 THR A 90 -16.389 4.897 -10.604 1.00 54.14 H new ATOM 1420 N ALA A 91 -13.460 2.446 -12.341 1.00 61.32 N ATOM 1421 CA ALA A 91 -13.097 1.145 -11.794 1.00 44.31 C ATOM 1422 C ALA A 91 -12.073 1.288 -10.673 1.00 14.33 C ATOM 1423 O ALA A 91 -12.114 0.555 -9.684 1.00 5.52 O ATOM 1424 CB ALA A 91 -12.555 0.243 -12.893 1.00 23.13 C ATOM 0 H ALA A 91 -13.387 2.511 -13.356 1.00 61.32 H new ATOM 0 HA ALA A 91 -13.995 0.691 -11.376 1.00 44.31 H new ATOM 0 HB1 ALA A 91 -12.288 -0.725 -12.470 1.00 23.13 H new ATOM 0 HB2 ALA A 91 -13.317 0.106 -13.660 1.00 23.13 H new ATOM 0 HB3 ALA A 91 -11.671 0.701 -13.337 1.00 23.13 H new ATOM 1430 N LEU A 92 -11.156 2.236 -10.833 1.00 0.43 N ATOM 1431 CA LEU A 92 -10.120 2.475 -9.833 1.00 35.43 C ATOM 1432 C LEU A 92 -10.726 3.005 -8.536 1.00 62.53 C ATOM 1433 O LEU A 92 -10.243 2.706 -7.445 1.00 61.03 O ATOM 1434 CB LEU A 92 -9.086 3.466 -10.368 1.00 73.14 C ATOM 1435 CG LEU A 92 -9.438 4.948 -10.224 1.00 24.43 C ATOM 1436 CD1 LEU A 92 -8.946 5.486 -8.889 1.00 21.43 C ATOM 1437 CD2 LEU A 92 -8.848 5.750 -11.374 1.00 25.44 C ATOM 0 H LEU A 92 -11.108 2.852 -11.645 1.00 0.43 H new ATOM 0 HA LEU A 92 -9.629 1.525 -9.621 1.00 35.43 H new ATOM 0 HB2 LEU A 92 -8.141 3.286 -9.855 1.00 73.14 H new ATOM 0 HB3 LEU A 92 -8.921 3.253 -11.424 1.00 73.14 H new ATOM 0 HG LEU A 92 -10.523 5.049 -10.256 1.00 24.43 H new ATOM 0 HD11 LEU A 92 -9.205 6.541 -8.804 1.00 21.43 H new ATOM 0 HD12 LEU A 92 -9.416 4.931 -8.077 1.00 21.43 H new ATOM 0 HD13 LEU A 92 -7.864 5.372 -8.827 1.00 21.43 H new ATOM 0 HD21 LEU A 92 -9.108 6.802 -11.255 1.00 25.44 H new ATOM 0 HD22 LEU A 92 -7.763 5.642 -11.374 1.00 25.44 H new ATOM 0 HD23 LEU A 92 -9.249 5.381 -12.318 1.00 25.44 H new ATOM 1449 N VAL A 93 -11.789 3.792 -8.666 1.00 54.11 N ATOM 1450 CA VAL A 93 -12.464 4.362 -7.505 1.00 20.50 C ATOM 1451 C VAL A 93 -13.110 3.273 -6.657 1.00 13.51 C ATOM 1452 O VAL A 93 -12.936 3.237 -5.438 1.00 71.13 O ATOM 1453 CB VAL A 93 -13.543 5.378 -7.926 1.00 61.40 C ATOM 1454 CG1 VAL A 93 -14.435 5.729 -6.745 1.00 53.44 C ATOM 1455 CG2 VAL A 93 -12.900 6.626 -8.510 1.00 74.43 C ATOM 0 H VAL A 93 -12.201 4.050 -9.563 1.00 54.11 H new ATOM 0 HA VAL A 93 -11.704 4.875 -6.916 1.00 20.50 H new ATOM 0 HB VAL A 93 -14.165 4.924 -8.697 1.00 61.40 H new ATOM 0 HG11 VAL A 93 -15.191 6.448 -7.061 1.00 53.44 H new ATOM 0 HG12 VAL A 93 -14.923 4.827 -6.377 1.00 53.44 H new ATOM 0 HG13 VAL A 93 -13.831 6.165 -5.949 1.00 53.44 H new ATOM 0 HG21 VAL A 93 -13.677 7.333 -8.802 1.00 74.43 H new ATOM 0 HG22 VAL A 93 -12.253 7.086 -7.763 1.00 74.43 H new ATOM 0 HG23 VAL A 93 -12.308 6.355 -9.385 1.00 74.43 H new ATOM 1465 N ASP A 94 -13.856 2.388 -7.307 1.00 1.13 N ATOM 1466 CA ASP A 94 -14.527 1.295 -6.612 1.00 74.13 C ATOM 1467 C ASP A 94 -13.529 0.216 -6.204 1.00 11.31 C ATOM 1468 O ASP A 94 -13.718 -0.469 -5.199 1.00 43.41 O ATOM 1469 CB ASP A 94 -15.617 0.690 -7.500 1.00 43.40 C ATOM 1470 CG ASP A 94 -16.623 -0.122 -6.709 1.00 5.33 C ATOM 1471 OD1 ASP A 94 -17.464 -0.800 -7.337 1.00 5.22 O ATOM 1472 OD2 ASP A 94 -16.569 -0.081 -5.462 1.00 43.11 O ATOM 0 H ASP A 94 -14.012 2.405 -8.315 1.00 1.13 H new ATOM 0 HA ASP A 94 -14.987 1.699 -5.710 1.00 74.13 H new ATOM 0 HB2 ASP A 94 -16.135 1.489 -8.030 1.00 43.40 H new ATOM 0 HB3 ASP A 94 -15.155 0.055 -8.256 1.00 43.40 H new ATOM 1478 N ALA A 95 -12.468 0.071 -6.990 1.00 42.50 N ATOM 1479 CA ALA A 95 -11.440 -0.924 -6.709 1.00 24.40 C ATOM 1480 C ALA A 95 -10.636 -0.549 -5.468 1.00 72.43 C ATOM 1481 O ALA A 95 -10.558 -1.321 -4.512 1.00 52.14 O ATOM 1482 CB ALA A 95 -10.518 -1.082 -7.909 1.00 25.15 C ATOM 0 H ALA A 95 -12.297 0.630 -7.826 1.00 42.50 H new ATOM 0 HA ALA A 95 -11.934 -1.876 -6.515 1.00 24.40 H new ATOM 0 HB1 ALA A 95 -9.755 -1.828 -7.686 1.00 25.15 H new ATOM 0 HB2 ALA A 95 -11.098 -1.404 -8.774 1.00 25.15 H new ATOM 0 HB3 ALA A 95 -10.039 -0.128 -8.128 1.00 25.15 H new ATOM 1488 N ILE A 96 -10.042 0.640 -5.490 1.00 73.42 N ATOM 1489 CA ILE A 96 -9.246 1.117 -4.366 1.00 24.23 C ATOM 1490 C ILE A 96 -10.095 1.245 -3.106 1.00 60.40 C ATOM 1491 O ILE A 96 -9.624 0.986 -1.999 1.00 72.11 O ATOM 1492 CB ILE A 96 -8.595 2.477 -4.674 1.00 61.24 C ATOM 1493 CG1 ILE A 96 -7.667 2.361 -5.886 1.00 12.43 C ATOM 1494 CG2 ILE A 96 -7.831 2.986 -3.461 1.00 61.53 C ATOM 1495 CD1 ILE A 96 -6.467 1.473 -5.643 1.00 63.13 C ATOM 0 H ILE A 96 -10.097 1.290 -6.274 1.00 73.42 H new ATOM 0 HA ILE A 96 -8.462 0.378 -4.199 1.00 24.23 H new ATOM 0 HB ILE A 96 -9.381 3.194 -4.910 1.00 61.24 H new ATOM 0 HG12 ILE A 96 -8.233 1.970 -6.731 1.00 12.43 H new ATOM 0 HG13 ILE A 96 -7.322 3.356 -6.166 1.00 12.43 H new ATOM 0 HG21 ILE A 96 -7.376 3.949 -3.695 1.00 61.53 H new ATOM 0 HG22 ILE A 96 -8.517 3.103 -2.622 1.00 61.53 H new ATOM 0 HG23 ILE A 96 -7.052 2.272 -3.196 1.00 61.53 H new ATOM 0 HD11 ILE A 96 -5.853 1.436 -6.543 1.00 63.13 H new ATOM 0 HD12 ILE A 96 -5.878 1.875 -4.818 1.00 63.13 H new ATOM 0 HD13 ILE A 96 -6.804 0.467 -5.392 1.00 63.13 H new ATOM 1507 N TYR A 97 -11.350 1.644 -3.283 1.00 62.12 N ATOM 1508 CA TYR A 97 -12.265 1.808 -2.161 1.00 53.13 C ATOM 1509 C TYR A 97 -12.463 0.488 -1.421 1.00 25.33 C ATOM 1510 O TYR A 97 -12.638 0.466 -0.204 1.00 11.21 O ATOM 1511 CB TYR A 97 -13.615 2.338 -2.649 1.00 52.34 C ATOM 1512 CG TYR A 97 -13.732 3.844 -2.585 1.00 74.24 C ATOM 1513 CD1 TYR A 97 -12.661 4.659 -2.931 1.00 34.50 C ATOM 1514 CD2 TYR A 97 -14.914 4.452 -2.180 1.00 13.45 C ATOM 1515 CE1 TYR A 97 -12.764 6.036 -2.874 1.00 63.53 C ATOM 1516 CE2 TYR A 97 -15.026 5.827 -2.120 1.00 41.34 C ATOM 1517 CZ TYR A 97 -13.948 6.615 -2.468 1.00 61.33 C ATOM 1518 OH TYR A 97 -14.055 7.986 -2.410 1.00 32.23 O ATOM 0 H TYR A 97 -11.756 1.860 -4.193 1.00 62.12 H new ATOM 0 HA TYR A 97 -11.826 2.529 -1.471 1.00 53.13 H new ATOM 0 HB2 TYR A 97 -13.774 2.013 -3.677 1.00 52.34 H new ATOM 0 HB3 TYR A 97 -14.409 1.894 -2.048 1.00 52.34 H new ATOM 0 HD1 TYR A 97 -11.733 4.209 -3.250 1.00 34.50 H new ATOM 0 HD2 TYR A 97 -15.760 3.838 -1.907 1.00 13.45 H new ATOM 0 HE1 TYR A 97 -11.922 6.655 -3.146 1.00 63.53 H new ATOM 0 HE2 TYR A 97 -15.952 6.283 -1.803 1.00 41.34 H new ATOM 0 HH TYR A 97 -14.954 8.231 -2.106 1.00 32.23 H new ATOM 1528 N SER A 98 -12.432 -0.612 -2.168 1.00 41.24 N ATOM 1529 CA SER A 98 -12.610 -1.937 -1.586 1.00 41.41 C ATOM 1530 C SER A 98 -11.345 -2.385 -0.860 1.00 21.12 C ATOM 1531 O SER A 98 -11.384 -2.737 0.319 1.00 14.24 O ATOM 1532 CB SER A 98 -12.974 -2.949 -2.673 1.00 23.33 C ATOM 1533 OG SER A 98 -12.528 -4.250 -2.328 1.00 42.25 O ATOM 0 H SER A 98 -12.285 -0.611 -3.177 1.00 41.24 H new ATOM 0 HA SER A 98 -13.424 -1.884 -0.863 1.00 41.41 H new ATOM 0 HB2 SER A 98 -14.054 -2.958 -2.819 1.00 23.33 H new ATOM 0 HB3 SER A 98 -12.527 -2.647 -3.620 1.00 23.33 H new ATOM 0 HG SER A 98 -12.774 -4.879 -3.038 1.00 42.25 H new ATOM 1539 N VAL A 99 -10.223 -2.370 -1.573 1.00 74.10 N ATOM 1540 CA VAL A 99 -8.946 -2.774 -0.998 1.00 52.35 C ATOM 1541 C VAL A 99 -8.565 -1.880 0.176 1.00 12.52 C ATOM 1542 O VAL A 99 -8.332 -2.361 1.285 1.00 75.14 O ATOM 1543 CB VAL A 99 -7.819 -2.731 -2.048 1.00 73.02 C ATOM 1544 CG1 VAL A 99 -6.526 -3.282 -1.466 1.00 73.52 C ATOM 1545 CG2 VAL A 99 -8.225 -3.503 -3.295 1.00 42.24 C ATOM 0 H VAL A 99 -10.173 -2.082 -2.550 1.00 74.10 H new ATOM 0 HA VAL A 99 -9.067 -3.799 -0.647 1.00 52.35 H new ATOM 0 HB VAL A 99 -7.647 -1.692 -2.331 1.00 73.02 H new ATOM 0 HG11 VAL A 99 -5.741 -3.244 -2.222 1.00 73.52 H new ATOM 0 HG12 VAL A 99 -6.230 -2.683 -0.605 1.00 73.52 H new ATOM 0 HG13 VAL A 99 -6.679 -4.315 -1.154 1.00 73.52 H new ATOM 0 HG21 VAL A 99 -7.418 -3.463 -4.027 1.00 42.24 H new ATOM 0 HG22 VAL A 99 -8.424 -4.542 -3.031 1.00 42.24 H new ATOM 0 HG23 VAL A 99 -9.124 -3.058 -3.722 1.00 42.24 H new ATOM 1555 N GLU A 100 -8.504 -0.576 -0.074 1.00 41.13 N ATOM 1556 CA GLU A 100 -8.151 0.385 0.964 1.00 42.05 C ATOM 1557 C GLU A 100 -9.005 0.178 2.211 1.00 44.35 C ATOM 1558 O GLU A 100 -8.560 0.430 3.331 1.00 65.20 O ATOM 1559 CB GLU A 100 -8.324 1.815 0.446 1.00 44.23 C ATOM 1560 CG GLU A 100 -9.748 2.333 0.553 1.00 61.23 C ATOM 1561 CD GLU A 100 -9.925 3.691 -0.099 1.00 64.53 C ATOM 1562 OE1 GLU A 100 -11.066 4.199 -0.108 1.00 42.21 O ATOM 1563 OE2 GLU A 100 -8.925 4.243 -0.602 1.00 41.34 O ATOM 0 H GLU A 100 -8.694 -0.161 -0.986 1.00 41.13 H new ATOM 0 HA GLU A 100 -7.106 0.226 1.230 1.00 42.05 H new ATOM 0 HB2 GLU A 100 -7.663 2.477 1.005 1.00 44.23 H new ATOM 0 HB3 GLU A 100 -8.009 1.855 -0.597 1.00 44.23 H new ATOM 0 HG2 GLU A 100 -10.427 1.619 0.086 1.00 61.23 H new ATOM 0 HG3 GLU A 100 -10.029 2.399 1.604 1.00 61.23 H new