MODEL 1 1 1 MET 2.792 5.317 4.246 4 4 8 2 2 ALA 3.598 5.045 3.930 4 1 5 3 3 ASP 3.104 5.073 4.205 4 4 8 4 4 THR 1.813 3.715 2.792 4 3 7 5 5 GLY 1.144 .000 1.144 4 0 4 6 6 GLU 1.103 1.329 1.234 4 5 9 7 7 VAL .689 .961 .817 4 3 7 8 8 GLN .825 1.742 1.410 4 5 9 9 9 PHE .681 1.605 1.344 4 7 11 10 10 MET .368 .829 .641 4 4 8 11 11 LYS .363 .788 .635 4 5 9 12 12 PRO .371 .474 .418 4 3 7 13 13 PHE .544 1.987 1.619 4 7 11 14 14 ILE .508 .561 .535 4 4 8 15 15 SER .323 1.535 .925 4 2 6 16 16 GLU .380 1.026 .805 4 5 9 17 17 LYS .437 1.138 .897 4 5 9 18 18 SER .395 1.351 .844 4 2 6 19 19 SER .366 1.100 .702 4 2 6 20 20 LYS .453 1.603 1.232 4 5 9 21 21 SER .789 .737 .772 4 2 6 22 22 LEU .588 .758 .678 4 4 8 23 23 GLU .395 2.086 1.577 4 5 9 24 24 ILE .291 .477 .395 4 4 8 25 25 PRO .421 .441 .430 4 3 7 26 26 LEU .609 .920 .780 4 4 8 27 27 GLY .847 .000 .847 4 0 4 28 28 PHE .833 2.178 1.808 4 7 11 29 29 ASN .867 1.484 1.215 4 4 8 30 30 GLU .905 1.086 1.009 4 5 9 31 31 TYR 1.002 .921 .949 4 8 12 32 32 PHE .963 .901 .924 4 7 11 33 33 PRO 1.024 1.115 1.064 4 3 7 34 34 ALA .932 .925 .930 4 1 5 35 35 PRO .910 1.061 .978 4 3 7 36 36 PHE .817 1.265 1.123 4 7 11 37 37 PRO .759 .705 .737 4 3 7 38 38 ILE .887 .938 .913 4 4 8 39 39 THR .662 .656 .659 4 3 7 40 40 VAL .540 .889 .711 4 3 7 41 41 ASP .367 1.264 .931 4 4 8 42 42 LEU .510 .409 .462 4 4 8 43 43 LEU .276 .455 .376 4 4 8 44 44 ASP .381 .998 .756 4 4 8 45 45 TYR .642 2.161 1.803 4 8 12 46 46 SER .789 1.570 1.112 4 2 6 47 47 GLY .588 .000 .588 4 0 4 48 48 ARG .440 3.064 2.459 4 7 11 49 49 SER .346 .458 .387 4 2 6 50 50 TRP .396 .460 .443 4 10 14 51 51 THR .383 .421 .400 4 3 7 52 52 VAL .349 .753 .559 4 3 7 53 53 ARG .304 1.952 1.568 4 7 11 54 54 MET .311 .368 .340 4 4 8 55 55 LYS .153 2.090 1.561 4 5 9 56 56 LYS .287 1.434 1.086 4 5 9 57 57 ARG .282 2.385 1.910 4 7 11 58 58 GLY .426 .000 .426 4 0 4 59 59 GLU .764 2.451 1.896 4 5 9 60 60 LYS .712 1.762 1.397 4 5 9 61 61 VAL .272 .317 .292 4 3 7 62 62 PHE .222 1.342 1.079 4 7 11 63 63 LEU .247 .857 .631 4 4 8 64 64 THR .243 1.326 .887 4 3 7 65 65 VAL .324 1.382 .937 4 3 7 66 66 GLY .421 .000 .421 4 0 4 67 67 TRP .344 .462 .432 4 10 14 68 68 GLU .576 1.670 1.302 4 5 9 69 69 ASN .684 1.160 .952 4 4 8 70 70 PHE .788 1.087 .989 4 7 11 71 71 VAL .783 .795 .788 4 3 7 72 72 LYS .808 1.379 1.160 4 5 9 73 73 ASP .930 1.723 1.384 4 4 8 74 74 ASN .996 1.533 1.293 4 4 8 75 75 ASN .936 .948 .942 4 4 8 76 76 LEU 1.112 1.616 1.387 4 4 8 77 77 GLU .845 1.869 1.503 4 5 9 78 78 ASP .961 1.305 1.146 4 4 8 79 79 GLY .751 .000 .751 4 0 4 80 80 LYS .632 .807 .734 4 5 9 81 81 TYR .740 1.184 1.057 4 8 12 82 82 LEU .558 1.428 1.084 4 4 8 83 83 GLN .522 1.093 .886 4 5 9 84 84 PHE .342 1.205 .983 4 7 11 85 85 ILE .252 .679 .512 4 4 8 86 86 TYR .260 4.485 3.665 4 8 12 87 87 ASP 1.055 2.528 1.937 4 4 8 88 88 ARG 2.135 2.655 2.478 4 7 11 89 89 ASP 1.212 1.550 1.391 4 4 8 90 90 ARG .532 4.065 3.259 4 7 11 91 91 THR .196 1.224 .815 4 3 7 92 92 PHE .098 1.005 .804 4 7 11 93 93 TYR .204 1.656 1.357 4 8 12 94 94 VAL .326 .831 .598 4 3 7 95 95 ILE .487 .754 .635 4 4 8 96 96 ILE .429 1.644 1.202 4 4 8 97 97 TYR .377 1.266 1.056 4 8 12 98 98 GLY 1.350 .000 1.350 4 0 4 99 99 HIS 1.301 3.066 2.514 4 6 10 100 100 ASN 3.518 5.182 4.429 4 4 8 101 101 MET 4.462 4.650 4.557 4 4 8 102 102 CYS 6.287 8.625 7.313 3 2 5 ENDMDL Model RMS deviations: 1.1779 2.0091 1.6624 407 440 847 MODEL 2 1 1 MET 6.845 7.315 7.084 4 4 8 2 2 ALA 5.386 5.113 5.333 4 1 5 3 3 ASP 3.123 5.226 4.305 4 4 8 4 4 THR 1.892 3.668 2.795 4 3 7 5 5 GLY 1.152 .000 1.152 4 0 4 6 6 GLU .699 1.022 .893 4 5 9 7 7 VAL .916 1.244 1.069 4 3 7 8 8 GLN .834 1.333 1.138 4 5 9 9 9 PHE .710 1.682 1.408 4 7 11 10 10 MET .651 1.015 .853 4 4 8 11 11 LYS .703 3.049 2.321 4 5 9 12 12 PRO .700 .859 .772 4 3 7 13 13 PHE .484 1.619 1.324 4 7 11 14 14 ILE .294 .421 .363 4 4 8 15 15 SER .187 .637 .398 4 2 6 16 16 GLU .232 1.188 .899 4 5 9 17 17 LYS .212 .898 .684 4 5 9 18 18 SER .280 1.501 .896 4 2 6 19 19 SER .228 .694 .442 4 2 6 20 20 LYS .171 1.134 .853 4 5 9 21 21 SER .274 .328 .293 4 2 6 22 22 LEU .277 .523 .418 4 4 8 23 23 GLU .635 1.781 1.393 4 5 9 24 24 ILE .733 .952 .850 4 4 8 25 25 PRO .805 .750 .782 4 3 7 26 26 LEU .764 1.332 1.086 4 4 8 27 27 GLY .831 .000 .831 4 0 4 28 28 PHE .788 1.563 1.334 4 7 11 29 29 ASN .574 .572 .573 4 4 8 30 30 GLU .916 1.220 1.095 4 5 9 31 31 TYR .956 1.812 1.579 4 8 12 32 32 PHE .781 1.166 1.042 4 7 11 33 33 PRO .727 .829 .772 4 3 7 34 34 ALA .532 .543 .534 4 1 5 35 35 PRO .382 .468 .421 4 3 7 36 36 PHE .145 2.946 2.352 4 7 11 37 37 PRO .181 .245 .211 4 3 7 38 38 ILE .444 .583 .518 4 4 8 39 39 THR .495 .676 .580 4 3 7 40 40 VAL .546 .875 .706 4 3 7 41 41 ASP .660 1.650 1.256 4 4 8 42 42 LEU .522 .279 .419 4 4 8 43 43 LEU .740 .536 .646 4 4 8 44 44 ASP 1.017 2.123 1.664 4 4 8 45 45 TYR 1.927 2.804 2.546 4 8 12 46 46 SER 1.862 5.274 3.403 4 2 6 47 47 GLY 1.890 .000 1.890 4 0 4 48 48 ARG .821 1.776 1.501 4 7 11 49 49 SER .891 1.132 .978 4 2 6 50 50 TRP .500 .905 .810 4 10 14 51 51 THR .372 1.351 .928 4 3 7 52 52 VAL .182 .756 .514 4 3 7 53 53 ARG .226 2.259 1.807 4 7 11 54 54 MET .316 .839 .634 4 4 8 55 55 LYS .558 2.100 1.609 4 5 9 56 56 LYS .850 1.441 1.215 4 5 9 57 57 ARG 1.066 1.065 1.065 4 7 11 58 58 GLY 1.278 .000 1.278 4 0 4 59 59 GLU 1.507 1.514 1.511 4 5 9 60 60 LYS 1.431 1.180 1.298 4 5 9 61 61 VAL .954 .933 .945 4 3 7 62 62 PHE .656 2.019 1.659 4 7 11 63 63 LEU .440 .677 .571 4 4 8 64 64 THR .309 .877 .620 4 3 7 65 65 VAL .321 1.507 1.016 4 3 7 66 66 GLY .303 .000 .303 4 0 4 67 67 TRP .261 .459 .412 4 10 14 68 68 GLU .335 1.274 .976 4 5 9 69 69 ASN .211 .435 .342 4 4 8 70 70 PHE .432 .989 .830 4 7 11 71 71 VAL .674 .541 .620 4 3 7 72 72 LYS .780 1.895 1.505 4 5 9 73 73 ASP .732 1.101 .935 4 4 8 74 74 ASN 1.060 1.310 1.192 4 4 8 75 75 ASN 1.281 1.581 1.439 4 4 8 76 76 LEU 1.327 1.600 1.470 4 4 8 77 77 GLU .733 1.703 1.361 4 5 9 78 78 ASP .327 1.753 1.261 4 4 8 79 79 GLY .528 .000 .528 4 0 4 80 80 LYS .448 1.860 1.418 4 5 9 81 81 TYR .381 .804 .692 4 8 12 82 82 LEU .403 1.192 .890 4 4 8 83 83 GLN .473 .826 .692 4 5 9 84 84 PHE .593 1.328 1.118 4 7 11 85 85 ILE .592 .687 .641 4 4 8 86 86 TYR .760 2.374 1.988 4 8 12 87 87 ASP .925 2.879 2.138 4 4 8 88 88 ARG 1.658 4.026 3.364 4 7 11 89 89 ASP .981 2.315 1.778 4 4 8 90 90 ARG .863 2.285 1.896 4 7 11 91 91 THR .688 1.249 .969 4 3 7 92 92 PHE .376 .931 .777 4 7 11 93 93 TYR .409 1.602 1.330 4 8 12 94 94 VAL .457 .684 .565 4 3 7 95 95 ILE .434 1.197 .900 4 4 8 96 96 ILE .672 1.411 1.105 4 4 8 97 97 TYR 1.019 1.410 1.292 4 8 12 98 98 GLY 1.241 .000 1.241 4 0 4 99 99 HIS 3.305 5.337 4.632 4 6 10 100 100 ASN 4.109 6.653 5.529 4 4 8 101 101 MET 4.293 2.576 3.540 4 4 8 102 102 CYS 5.679 7.800 6.610 3 2 5 ENDMDL Model RMS deviations: 1.4624 2.1116 1.8286 407 440 847 MODEL 3 1 1 MET 5.386 6.537 5.989 4 4 8 2 2 ALA 3.522 4.220 3.672 4 1 5 3 3 ASP 2.656 3.084 2.878 4 4 8 4 4 THR 2.333 3.869 3.086 4 3 7 5 5 GLY .874 .000 .874 4 0 4 6 6 GLU 1.403 1.747 1.603 4 5 9 7 7 VAL 1.047 1.190 1.110 4 3 7 8 8 GLN 1.104 1.391 1.272 4 5 9 9 9 PHE .813 2.820 2.303 4 7 11 10 10 MET .413 1.024 .781 4 4 8 11 11 LYS .208 1.057 .800 4 5 9 12 12 PRO .260 .401 .328 4 3 7 13 13 PHE .395 1.362 1.112 4 7 11 14 14 ILE .252 .577 .445 4 4 8 15 15 SER .468 .865 .629 4 2 6 16 16 GLU .666 1.175 .982 4 5 9 17 17 LYS .523 1.180 .946 4 5 9 18 18 SER .244 .727 .465 4 2 6 19 19 SER .186 1.161 .687 4 2 6 20 20 LYS .172 2.175 1.625 4 5 9 21 21 SER .579 .388 .523 4 2 6 22 22 LEU .671 .810 .744 4 4 8 23 23 GLU .823 1.885 1.509 4 5 9 24 24 ILE .904 .922 .913 4 4 8 25 25 PRO 1.225 1.499 1.349 4 3 7 26 26 LEU 1.046 1.276 1.166 4 4 8 27 27 GLY 1.033 .000 1.033 4 0 4 28 28 PHE .988 2.053 1.742 4 7 11 29 29 ASN .534 .822 .693 4 4 8 30 30 GLU .480 1.197 .948 4 5 9 31 31 TYR .744 1.529 1.320 4 8 12 32 32 PHE .539 1.167 .986 4 7 11 33 33 PRO .462 .406 .439 4 3 7 34 34 ALA .440 .520 .457 4 1 5 35 35 PRO .566 .746 .649 4 3 7 36 36 PHE .581 1.623 1.341 4 7 11 37 37 PRO .545 .461 .511 4 3 7 38 38 ILE .728 .806 .768 4 4 8 39 39 THR .693 .891 .784 4 3 7 40 40 VAL .616 .941 .772 4 3 7 41 41 ASP .722 1.316 1.061 4 4 8 42 42 LEU .638 .666 .652 4 4 8 43 43 LEU .858 1.561 1.260 4 4 8 44 44 ASP .931 1.309 1.136 4 4 8 45 45 TYR 1.038 3.065 2.573 4 8 12 46 46 SER 1.576 1.417 1.525 4 2 6 47 47 GLY .666 .000 .666 4 0 4 48 48 ARG .468 1.085 .910 4 7 11 49 49 SER .462 .500 .475 4 2 6 50 50 TRP .416 .605 .557 4 10 14 51 51 THR .420 .572 .491 4 3 7 52 52 VAL .357 1.221 .844 4 3 7 53 53 ARG .350 .983 .812 4 7 11 54 54 MET .314 .811 .615 4 4 8 55 55 LYS .386 1.796 1.363 4 5 9 56 56 LYS .343 1.116 .863 4 5 9 57 57 ARG .493 2.299 1.858 4 7 11 58 58 GLY .497 .000 .497 4 0 4 59 59 GLU .587 2.810 2.131 4 5 9 60 60 LYS .292 1.757 1.324 4 5 9 61 61 VAL .296 .374 .331 4 3 7 62 62 PHE .378 1.496 1.215 4 7 11 63 63 LEU .509 .968 .773 4 4 8 64 64 THR .432 .975 .717 4 3 7 65 65 VAL .413 1.286 .898 4 3 7 66 66 GLY .373 .000 .373 4 0 4 67 67 TRP .331 .511 .467 4 10 14 68 68 GLU .337 1.298 .993 4 5 9 69 69 ASN .280 .494 .401 4 4 8 70 70 PHE .244 1.017 .824 4 7 11 71 71 VAL .322 .318 .320 4 3 7 72 72 LYS .398 .991 .785 4 5 9 73 73 ASP .383 .956 .729 4 4 8 74 74 ASN .404 1.367 1.008 4 4 8 75 75 ASN .427 1.043 .797 4 4 8 76 76 LEU .300 1.173 .856 4 4 8 77 77 GLU .236 1.665 1.251 4 5 9 78 78 ASP .275 1.083 .790 4 4 8 79 79 GLY .404 .000 .404 4 0 4 80 80 LYS .289 1.797 1.353 4 5 9 81 81 TYR .359 1.905 1.569 4 8 12 82 82 LEU .466 1.139 .870 4 4 8 83 83 GLN .544 1.230 .986 4 5 9 84 84 PHE .787 .945 .891 4 7 11 85 85 ILE .842 1.132 .998 4 4 8 86 86 TYR .780 1.298 1.152 4 8 12 87 87 ASP .888 1.912 1.490 4 4 8 88 88 ARG .946 1.739 1.500 4 7 11 89 89 ASP .606 1.184 .940 4 4 8 90 90 ARG .567 1.593 1.316 4 7 11 91 91 THR .679 1.057 .861 4 3 7 92 92 PHE .682 .844 .789 4 7 11 93 93 TYR .730 1.620 1.388 4 8 12 94 94 VAL .583 .766 .668 4 3 7 95 95 ILE .463 .801 .654 4 4 8 96 96 ILE .437 1.508 1.110 4 4 8 97 97 TYR .865 1.149 1.063 4 8 12 98 98 GLY 1.126 .000 1.126 4 0 4 99 99 HIS 2.810 3.671 3.353 4 6 10 100 100 ASN 2.774 5.665 4.460 4 4 8 101 101 MET 3.541 4.802 4.219 4 4 8 102 102 CYS 5.394 5.927 5.613 3 2 5 ENDMDL Model RMS deviations: 1.1844 1.8232 1.5495 407 440 847 MODEL 4 1 1 MET 6.306 8.393 7.423 4 4 8 2 2 ALA 5.435 7.329 5.863 4 1 5 3 3 ASP 2.718 3.538 3.155 4 4 8 4 4 THR 2.365 4.470 3.429 4 3 7 5 5 GLY 1.259 .000 1.259 4 0 4 6 6 GLU 1.891 2.338 2.151 4 5 9 7 7 VAL 1.370 1.691 1.516 4 3 7 8 8 GLN 1.307 2.050 1.759 4 5 9 9 9 PHE .784 3.364 2.725 4 7 11 10 10 MET .596 1.157 .920 4 4 8 11 11 LYS .462 .754 .641 4 5 9 12 12 PRO .454 .629 .536 4 3 7 13 13 PHE .465 3.576 2.866 4 7 11 14 14 ILE .730 1.102 .934 4 4 8 15 15 SER .768 .984 .846 4 2 6 16 16 GLU .822 1.675 1.364 4 5 9 17 17 LYS .547 1.080 .883 4 5 9 18 18 SER .563 .762 .636 4 2 6 19 19 SER .598 1.226 .860 4 2 6 20 20 LYS .415 1.265 .983 4 5 9 21 21 SER .642 .579 .622 4 2 6 22 22 LEU .362 .433 .399 4 4 8 23 23 GLU .267 1.787 1.344 4 5 9 24 24 ILE .267 .711 .537 4 4 8 25 25 PRO .451 .651 .546 4 3 7 26 26 LEU .313 .675 .526 4 4 8 27 27 GLY .215 .000 .215 4 0 4 28 28 PHE .255 2.540 2.032 4 7 11 29 29 ASN .334 .519 .436 4 4 8 30 30 GLU .415 1.586 1.214 4 5 9 31 31 TYR .516 1.460 1.228 4 8 12 32 32 PHE .510 1.043 .887 4 7 11 33 33 PRO .845 .943 .888 4 3 7 34 34 ALA .894 .771 .870 4 1 5 35 35 PRO .969 1.236 1.092 4 3 7 36 36 PHE .896 2.097 1.758 4 7 11 37 37 PRO .578 .406 .511 4 3 7 38 38 ILE .449 .505 .478 4 4 8 39 39 THR .225 .566 .408 4 3 7 40 40 VAL .436 1.017 .743 4 3 7 41 41 ASP .501 .956 .764 4 4 8 42 42 LEU .984 .970 .977 4 4 8 43 43 LEU 1.271 1.083 1.181 4 4 8 44 44 ASP 1.701 1.840 1.772 4 4 8 45 45 TYR 2.376 1.601 1.894 4 8 12 46 46 SER 2.332 3.137 2.628 4 2 6 47 47 GLY 1.682 .000 1.682 4 0 4 48 48 ARG 1.626 3.094 2.656 4 7 11 49 49 SER 1.225 1.021 1.161 4 2 6 50 50 TRP .941 1.528 1.386 4 10 14 51 51 THR .783 .736 .763 4 3 7 52 52 VAL .537 .842 .685 4 3 7 53 53 ARG .433 .934 .789 4 7 11 54 54 MET .317 .473 .403 4 4 8 55 55 LYS .383 1.569 1.197 4 5 9 56 56 LYS .217 .723 .558 4 5 9 57 57 ARG .516 1.523 1.254 4 7 11 58 58 GLY .949 .000 .949 4 0 4 59 59 GLU .524 2.935 2.215 4 5 9 60 60 LYS .378 1.164 .903 4 5 9 61 61 VAL .220 .372 .295 4 3 7 62 62 PHE .125 1.710 1.366 4 7 11 63 63 LEU .151 .825 .593 4 4 8 64 64 THR .318 .695 .514 4 3 7 65 65 VAL .411 1.053 .756 4 3 7 66 66 GLY .469 .000 .469 4 0 4 67 67 TRP .374 .237 .283 4 10 14 68 68 GLU .643 1.489 1.190 4 5 9 69 69 ASN .749 1.547 1.215 4 4 8 70 70 PHE .665 1.208 1.044 4 7 11 71 71 VAL .376 .329 .357 4 3 7 72 72 LYS .354 2.601 1.953 4 5 9 73 73 ASP .547 1.143 .896 4 4 8 74 74 ASN .480 1.341 1.007 4 4 8 75 75 ASN .801 1.232 1.039 4 4 8 76 76 LEU 1.332 1.766 1.564 4 4 8 77 77 GLU 1.030 1.031 1.030 4 5 9 78 78 ASP .646 1.621 1.234 4 4 8 79 79 GLY .493 .000 .493 4 0 4 80 80 LYS .220 1.805 1.353 4 5 9 81 81 TYR .432 1.098 .930 4 8 12 82 82 LEU .637 1.475 1.136 4 4 8 83 83 GLN .837 .930 .890 4 5 9 84 84 PHE 1.044 1.677 1.478 4 7 11 85 85 ILE 1.173 1.225 1.199 4 4 8 86 86 TYR .892 3.254 2.707 4 8 12 87 87 ASP .624 2.343 1.714 4 4 8 88 88 ARG .272 1.778 1.428 4 7 11 89 89 ASP .447 .965 .752 4 4 8 90 90 ARG .625 1.766 1.458 4 7 11 91 91 THR .702 1.094 .891 4 3 7 92 92 PHE .773 1.276 1.120 4 7 11 93 93 TYR .867 1.786 1.542 4 8 12 94 94 VAL .634 .628 .631 4 3 7 95 95 ILE .589 1.694 1.269 4 4 8 96 96 ILE .647 1.456 1.127 4 4 8 97 97 TYR .591 1.301 1.115 4 8 12 98 98 GLY 1.935 .000 1.935 4 0 4 99 99 HIS 2.975 5.490 4.650 4 6 10 100 100 ASN 3.316 5.138 4.324 4 4 8 101 101 MET 2.511 4.200 3.460 4 4 8 102 102 CYS 3.700 3.148 3.490 3 2 5 ENDMDL Model RMS deviations: 1.3499 2.0951 1.7765 407 440 847 MODEL 5 1 1 MET 5.392 8.339 7.022 4 4 8 2 2 ALA 4.892 6.220 5.185 4 1 5 3 3 ASP 2.527 2.496 2.511 4 4 8 4 4 THR 3.012 5.030 4.003 4 3 7 5 5 GLY 1.158 .000 1.158 4 0 4 6 6 GLU .708 2.384 1.839 4 5 9 7 7 VAL .614 .754 .678 4 3 7 8 8 GLN .726 2.221 1.725 4 5 9 9 9 PHE .431 1.809 1.466 4 7 11 10 10 MET .416 1.611 1.177 4 4 8 11 11 LYS .400 2.104 1.591 4 5 9 12 12 PRO .457 .911 .689 4 3 7 13 13 PHE .756 1.740 1.461 4 7 11 14 14 ILE .596 .784 .696 4 4 8 15 15 SER .800 1.192 .949 4 2 6 16 16 GLU .942 1.483 1.271 4 5 9 17 17 LYS .751 1.009 .904 4 5 9 18 18 SER .610 .942 .737 4 2 6 19 19 SER .488 1.134 .767 4 2 6 20 20 LYS .603 1.693 1.324 4 5 9 21 21 SER .901 .871 .891 4 2 6 22 22 LEU .826 .834 .830 4 4 8 23 23 GLU .976 1.573 1.341 4 5 9 24 24 ILE 1.017 1.139 1.080 4 4 8 25 25 PRO 1.308 1.406 1.351 4 3 7 26 26 LEU 1.313 1.668 1.501 4 4 8 27 27 GLY 1.312 .000 1.312 4 0 4 28 28 PHE 1.368 1.805 1.660 4 7 11 29 29 ASN 1.318 2.053 1.725 4 4 8 30 30 GLU 1.109 1.728 1.485 4 5 9 31 31 TYR 1.104 1.814 1.612 4 8 12 32 32 PHE .940 1.214 1.122 4 7 11 33 33 PRO .710 .793 .747 4 3 7 34 34 ALA .447 .542 .467 4 1 5 35 35 PRO .222 .298 .257 4 3 7 36 36 PHE .217 2.406 1.924 4 7 11 37 37 PRO .241 .250 .245 4 3 7 38 38 ILE .280 .519 .417 4 4 8 39 39 THR .362 .379 .369 4 3 7 40 40 VAL .595 1.131 .866 4 3 7 41 41 ASP .631 1.299 1.021 4 4 8 42 42 LEU .395 .501 .451 4 4 8 43 43 LEU .220 .867 .632 4 4 8 44 44 ASP .274 1.204 .873 4 4 8 45 45 TYR .919 1.258 1.156 4 8 12 46 46 SER .547 1.466 .957 4 2 6 47 47 GLY .396 .000 .396 4 0 4 48 48 ARG .540 4.340 3.477 4 7 11 49 49 SER .742 .764 .749 4 2 6 50 50 TRP .620 .683 .665 4 10 14 51 51 THR .603 .877 .733 4 3 7 52 52 VAL .441 1.464 1.014 4 3 7 53 53 ARG .430 1.337 1.097 4 7 11 54 54 MET .268 .467 .381 4 4 8 55 55 LYS .444 3.192 2.397 4 5 9 56 56 LYS 1.032 1.259 1.164 4 5 9 57 57 ARG 1.046 4.503 3.647 4 7 11 58 58 GLY .811 .000 .811 4 0 4 59 59 GLU .979 1.841 1.520 4 5 9 60 60 LYS .639 2.347 1.800 4 5 9 61 61 VAL .391 .560 .471 4 3 7 62 62 PHE .435 1.801 1.460 4 7 11 63 63 LEU .400 .514 .460 4 4 8 64 64 THR .316 .689 .511 4 3 7 65 65 VAL .306 1.460 .984 4 3 7 66 66 GLY .242 .000 .242 4 0 4 67 67 TRP .203 .550 .477 4 10 14 68 68 GLU .336 1.055 .818 4 5 9 69 69 ASN .461 .957 .751 4 4 8 70 70 PHE .398 .912 .766 4 7 11 71 71 VAL .444 .467 .454 4 3 7 72 72 LYS .540 2.234 1.704 4 5 9 73 73 ASP .598 .739 .672 4 4 8 74 74 ASN .630 .595 .613 4 4 8 75 75 ASN .802 1.408 1.146 4 4 8 76 76 LEU .734 1.109 .940 4 4 8 77 77 GLU .549 1.006 .834 4 5 9 78 78 ASP .523 1.639 1.216 4 4 8 79 79 GLY .684 .000 .684 4 0 4 80 80 LYS .497 1.401 1.095 4 5 9 81 81 TYR .338 1.787 1.472 4 8 12 82 82 LEU .267 .898 .663 4 4 8 83 83 GLN .213 1.463 1.100 4 5 9 84 84 PHE .316 1.517 1.225 4 7 11 85 85 ILE .329 1.240 .907 4 4 8 86 86 TYR .308 3.759 3.075 4 8 12 87 87 ASP .552 1.654 1.233 4 4 8 88 88 ARG .957 2.180 1.832 4 7 11 89 89 ASP .862 1.349 1.132 4 4 8 90 90 ARG .776 2.626 2.146 4 7 11 91 91 THR .694 .912 .795 4 3 7 92 92 PHE .481 1.121 .940 4 7 11 93 93 TYR .613 4.127 3.388 4 8 12 94 94 VAL .337 .611 .474 4 3 7 95 95 ILE .562 2.099 1.536 4 4 8 96 96 ILE .661 1.391 1.089 4 4 8 97 97 TYR .736 1.330 1.166 4 8 12 98 98 GLY 1.249 .000 1.249 4 0 4 99 99 HIS 4.001 6.296 5.494 4 6 10 100 100 ASN 4.704 5.548 5.144 4 4 8 101 101 MET 4.296 1.800 3.294 4 4 8 102 102 CYS 6.382 8.251 7.188 3 2 5 ENDMDL Model RMS deviations: 1.4042 2.2863 1.9138 407 440 847 MODEL 6 1 1 MET 4.178 4.892 4.549 4 4 8 2 2 ALA 2.660 3.797 2.923 4 1 5 3 3 ASP 2.273 2.260 2.267 4 4 8 4 4 THR 2.852 4.343 3.568 4 3 7 5 5 GLY 1.077 .000 1.077 4 0 4 6 6 GLU .872 1.503 1.262 4 5 9 7 7 VAL .809 .919 .858 4 3 7 8 8 GLN .682 2.513 1.927 4 5 9 9 9 PHE .443 1.639 1.334 4 7 11 10 10 MET .326 2.348 1.676 4 4 8 11 11 LYS .338 2.067 1.557 4 5 9 12 12 PRO .513 .290 .432 4 3 7 13 13 PHE .767 1.514 1.293 4 7 11 14 14 ILE .467 1.333 .998 4 4 8 15 15 SER .210 .546 .359 4 2 6 16 16 GLU .375 1.135 .882 4 5 9 17 17 LYS .677 1.594 1.271 4 5 9 18 18 SER .713 .792 .740 4 2 6 19 19 SER .476 .862 .631 4 2 6 20 20 LYS .915 2.833 2.198 4 5 9 21 21 SER .774 .862 .805 4 2 6 22 22 LEU .224 .731 .541 4 4 8 23 23 GLU .223 1.918 1.437 4 5 9 24 24 ILE .166 .514 .382 4 4 8 25 25 PRO .142 .205 .172 4 3 7 26 26 LEU .151 1.180 .841 4 4 8 27 27 GLY .250 .000 .250 4 0 4 28 28 PHE .418 1.195 .986 4 7 11 29 29 ASN .436 .802 .646 4 4 8 30 30 GLU .376 1.020 .800 4 5 9 31 31 TYR .478 1.322 1.114 4 8 12 32 32 PHE .531 .646 .607 4 7 11 33 33 PRO .613 .690 .647 4 3 7 34 34 ALA .604 .574 .598 4 1 5 35 35 PRO .622 .688 .651 4 3 7 36 36 PHE .612 3.487 2.806 4 7 11 37 37 PRO .542 .471 .513 4 3 7 38 38 ILE .689 .748 .719 4 4 8 39 39 THR .602 .558 .584 4 3 7 40 40 VAL .452 .971 .722 4 3 7 41 41 ASP .612 1.620 1.225 4 4 8 42 42 LEU .590 1.681 1.260 4 4 8 43 43 LEU .614 1.114 .899 4 4 8 44 44 ASP .618 .859 .749 4 4 8 45 45 TYR .587 4.112 3.374 4 8 12 46 46 SER .542 .623 .570 4 2 6 47 47 GLY .976 .000 .976 4 0 4 48 48 ARG .825 2.384 1.966 4 7 11 49 49 SER .831 .968 .879 4 2 6 50 50 TRP .554 .700 .662 4 10 14 51 51 THR .343 .516 .426 4 3 7 52 52 VAL .231 .703 .492 4 3 7 53 53 ARG .371 .897 .750 4 7 11 54 54 MET .427 .784 .632 4 4 8 55 55 LYS .369 1.898 1.436 4 5 9 56 56 LYS .524 1.774 1.368 4 5 9 57 57 ARG .439 .902 .767 4 7 11 58 58 GLY .648 .000 .648 4 0 4 59 59 GLU .691 1.394 1.136 4 5 9 60 60 LYS .450 2.474 1.869 4 5 9 61 61 VAL .435 .507 .467 4 3 7 62 62 PHE .238 1.591 1.278 4 7 11 63 63 LEU .320 .842 .637 4 4 8 64 64 THR .248 .531 .395 4 3 7 65 65 VAL .254 1.166 .787 4 3 7 66 66 GLY .155 .000 .155 4 0 4 67 67 TRP .183 .417 .366 4 10 14 68 68 GLU .329 1.536 1.166 4 5 9 69 69 ASN .377 .510 .448 4 4 8 70 70 PHE .410 .998 .834 4 7 11 71 71 VAL .400 .383 .393 4 3 7 72 72 LYS .394 2.787 2.094 4 5 9 73 73 ASP .433 .934 .728 4 4 8 74 74 ASN .609 1.785 1.334 4 4 8 75 75 ASN .606 3.078 2.218 4 4 8 76 76 LEU 1.113 1.530 1.338 4 4 8 77 77 GLU .599 1.548 1.221 4 5 9 78 78 ASP .675 1.812 1.367 4 4 8 79 79 GLY .545 .000 .545 4 0 4 80 80 LYS .519 1.669 1.291 4 5 9 81 81 TYR .368 1.147 .960 4 8 12 82 82 LEU .411 1.395 1.028 4 4 8 83 83 GLN .504 1.273 1.007 4 5 9 84 84 PHE .858 1.039 .977 4 7 11 85 85 ILE 1.066 1.316 1.198 4 4 8 86 86 TYR 1.091 1.257 1.204 4 8 12 87 87 ASP 1.314 1.788 1.569 4 4 8 88 88 ARG 1.632 2.342 2.112 4 7 11 89 89 ASP 1.207 1.521 1.373 4 4 8 90 90 ARG .688 2.431 1.983 4 7 11 91 91 THR .889 1.070 .971 4 3 7 92 92 PHE .650 1.034 .913 4 7 11 93 93 TYR .722 2.247 1.882 4 8 12 94 94 VAL .532 .571 .549 4 3 7 95 95 ILE .564 .950 .781 4 4 8 96 96 ILE .267 1.219 .882 4 4 8 97 97 TYR .441 .854 .743 4 8 12 98 98 GLY 1.747 .000 1.747 4 0 4 99 99 HIS 2.516 4.053 3.519 4 6 10 100 100 ASN 3.160 4.971 4.165 4 4 8 101 101 MET 4.558 7.763 6.366 4 4 8 102 102 CYS 5.640 6.963 6.203 3 2 5 ENDMDL Model RMS deviations: 1.1627 2.0168 1.6621 407 440 847 MODEL 7 1 1 MET 6.854 8.969 7.982 4 4 8 2 2 ALA 4.886 5.685 5.056 4 1 5 3 3 ASP 2.787 4.042 3.472 4 4 8 4 4 THR 2.089 3.776 2.933 4 3 7 5 5 GLY 1.017 .000 1.017 4 0 4 6 6 GLU 1.424 1.872 1.688 4 5 9 7 7 VAL 1.043 .836 .960 4 3 7 8 8 GLN 1.174 3.093 2.434 4 5 9 9 9 PHE 1.071 1.365 1.266 4 7 11 10 10 MET .946 1.769 1.418 4 4 8 11 11 LYS .831 2.223 1.747 4 5 9 12 12 PRO .797 .797 .797 4 3 7 13 13 PHE .719 1.144 1.011 4 7 11 14 14 ILE .655 .760 .709 4 4 8 15 15 SER .714 .759 .729 4 2 6 16 16 GLU .637 1.066 .901 4 5 9 17 17 LYS .345 1.548 1.177 4 5 9 18 18 SER .450 .676 .536 4 2 6 19 19 SER .311 1.170 .722 4 2 6 20 20 LYS .249 2.275 1.703 4 5 9 21 21 SER .394 .433 .408 4 2 6 22 22 LEU .316 1.268 .924 4 4 8 23 23 GLU .317 2.079 1.564 4 5 9 24 24 ILE .776 .910 .846 4 4 8 25 25 PRO 1.197 1.185 1.192 4 3 7 26 26 LEU 1.434 1.377 1.406 4 4 8 27 27 GLY 1.690 .000 1.690 4 0 4 28 28 PHE 1.294 1.826 1.652 4 7 11 29 29 ASN .973 .888 .931 4 4 8 30 30 GLU 1.297 1.423 1.369 4 5 9 31 31 TYR 1.317 1.727 1.602 4 8 12 32 32 PHE .866 1.074 1.003 4 7 11 33 33 PRO .509 .636 .567 4 3 7 34 34 ALA .325 .389 .339 4 1 5 35 35 PRO .518 .636 .571 4 3 7 36 36 PHE .734 3.115 2.524 4 7 11 37 37 PRO .830 .665 .764 4 3 7 38 38 ILE 1.050 1.319 1.192 4 4 8 39 39 THR 1.019 1.050 1.032 4 3 7 40 40 VAL 1.009 1.096 1.047 4 3 7 41 41 ASP 1.009 2.122 1.662 4 4 8 42 42 LEU .917 .653 .796 4 4 8 43 43 LEU .906 1.403 1.181 4 4 8 44 44 ASP .884 .817 .851 4 4 8 45 45 TYR .919 3.013 2.517 4 8 12 46 46 SER 1.109 1.171 1.130 4 2 6 47 47 GLY 1.127 .000 1.127 4 0 4 48 48 ARG .965 2.969 2.439 4 7 11 49 49 SER .857 .895 .870 4 2 6 50 50 TRP .796 .849 .834 4 10 14 51 51 THR .783 1.017 .891 4 3 7 52 52 VAL .613 .830 .714 4 3 7 53 53 ARG .472 1.360 1.122 4 7 11 54 54 MET .876 1.008 .944 4 4 8 55 55 LYS .875 2.201 1.742 4 5 9 56 56 LYS .936 1.205 1.094 4 5 9 57 57 ARG .767 2.910 2.367 4 7 11 58 58 GLY .640 .000 .640 4 0 4 59 59 GLU .649 1.663 1.313 4 5 9 60 60 LYS .476 1.526 1.181 4 5 9 61 61 VAL .452 .141 .354 4 3 7 62 62 PHE .440 2.996 2.404 4 7 11 63 63 LEU .402 .347 .375 4 4 8 64 64 THR .237 1.476 .983 4 3 7 65 65 VAL .486 1.228 .884 4 3 7 66 66 GLY .633 .000 .633 4 0 4 67 67 TRP .555 .703 .664 4 10 14 68 68 GLU .229 1.093 .829 4 5 9 69 69 ASN .421 .732 .597 4 4 8 70 70 PHE .497 1.266 1.053 4 7 11 71 71 VAL .380 .431 .403 4 3 7 72 72 LYS .266 1.923 1.445 4 5 9 73 73 ASP .617 .706 .663 4 4 8 74 74 ASN .684 1.613 1.239 4 4 8 75 75 ASN .631 .658 .644 4 4 8 76 76 LEU .612 1.411 1.087 4 4 8 77 77 GLU .644 .908 .801 4 5 9 78 78 ASP .695 1.123 .934 4 4 8 79 79 GLY .953 .000 .953 4 0 4 80 80 LYS .880 1.950 1.568 4 5 9 81 81 TYR .946 1.333 1.218 4 8 12 82 82 LEU .811 1.271 1.066 4 4 8 83 83 GLN .862 1.489 1.250 4 5 9 84 84 PHE .744 1.181 1.044 4 7 11 85 85 ILE .919 1.233 1.087 4 4 8 86 86 TYR 1.101 2.073 1.808 4 8 12 87 87 ASP 1.505 2.308 1.948 4 4 8 88 88 ARG 1.172 1.229 1.209 4 7 11 89 89 ASP 1.201 1.603 1.416 4 4 8 90 90 ARG 1.229 2.452 2.092 4 7 11 91 91 THR 1.233 2.202 1.717 4 3 7 92 92 PHE 1.084 1.230 1.179 4 7 11 93 93 TYR 1.024 3.354 2.802 4 8 12 94 94 VAL .828 .765 .801 4 3 7 95 95 ILE .841 1.256 1.069 4 4 8 96 96 ILE 1.350 1.605 1.483 4 4 8 97 97 TYR 1.335 2.011 1.814 4 8 12 98 98 GLY .624 .000 .624 4 0 4 99 99 HIS 3.236 2.600 2.871 4 6 10 100 100 ASN 4.660 5.506 5.101 4 4 8 101 101 MET 6.862 6.745 6.804 4 4 8 102 102 CYS 9.290 10.113 9.627 3 2 5 ENDMDL Model RMS deviations: 1.7136 2.2373 2.0028 407 440 847 MODEL 8 1 1 MET 6.573 7.483 7.043 4 4 8 2 2 ALA 7.278 9.809 7.850 4 1 5 3 3 ASP 5.171 4.136 4.682 4 4 8 4 4 THR 4.664 7.365 5.973 4 3 7 5 5 GLY 2.046 .000 2.046 4 0 4 6 6 GLU .610 1.262 1.025 4 5 9 7 7 VAL .440 .743 .589 4 3 7 8 8 GLN .564 1.846 1.426 4 5 9 9 9 PHE .636 2.918 2.359 4 7 11 10 10 MET 1.258 2.078 1.717 4 4 8 11 11 LYS .952 1.427 1.239 4 5 9 12 12 PRO .808 1.317 1.057 4 3 7 13 13 PHE .188 3.758 3.000 4 7 11 14 14 ILE .498 .627 .566 4 4 8 15 15 SER .592 .911 .714 4 2 6 16 16 GLU .626 1.217 .998 4 5 9 17 17 LYS .523 .886 .747 4 5 9 18 18 SER .548 .896 .684 4 2 6 19 19 SER .427 .902 .627 4 2 6 20 20 LYS .296 1.989 1.495 4 5 9 21 21 SER .502 .468 .491 4 2 6 22 22 LEU .358 .925 .701 4 4 8 23 23 GLU .474 1.361 1.062 4 5 9 24 24 ILE .710 .897 .809 4 4 8 25 25 PRO .861 .800 .835 4 3 7 26 26 LEU .996 1.831 1.474 4 4 8 27 27 GLY 1.178 .000 1.178 4 0 4 28 28 PHE .849 1.564 1.348 4 7 11 29 29 ASN .717 .720 .719 4 4 8 30 30 GLU 1.155 3.723 2.880 4 5 9 31 31 TYR 1.211 1.546 1.443 4 8 12 32 32 PHE 1.015 1.592 1.409 4 7 11 33 33 PRO 1.085 1.126 1.103 4 3 7 34 34 ALA 1.021 .953 1.008 4 1 5 35 35 PRO .987 1.150 1.060 4 3 7 36 36 PHE .887 2.211 1.843 4 7 11 37 37 PRO .639 .553 .604 4 3 7 38 38 ILE .577 .742 .665 4 4 8 39 39 THR .726 .385 .604 4 3 7 40 40 VAL .654 1.377 1.028 4 3 7 41 41 ASP .844 1.035 .944 4 4 8 42 42 LEU 1.040 .913 .979 4 4 8 43 43 LEU 1.264 1.519 1.397 4 4 8 44 44 ASP 1.742 1.929 1.838 4 4 8 45 45 TYR 2.492 1.935 2.137 4 8 12 46 46 SER 2.440 3.241 2.733 4 2 6 47 47 GLY 1.753 .000 1.753 4 0 4 48 48 ARG 1.591 4.286 3.551 4 7 11 49 49 SER 1.164 1.078 1.136 4 2 6 50 50 TRP .864 1.394 1.265 4 10 14 51 51 THR .671 .597 .641 4 3 7 52 52 VAL .415 1.355 .941 4 3 7 53 53 ARG .334 2.049 1.647 4 7 11 54 54 MET .444 .660 .563 4 4 8 55 55 LYS .697 1.471 1.191 4 5 9 56 56 LYS .885 1.299 1.134 4 5 9 57 57 ARG .960 1.676 1.457 4 7 11 58 58 GLY 1.013 .000 1.013 4 0 4 59 59 GLU 1.317 1.865 1.644 4 5 9 60 60 LYS 1.413 3.894 3.051 4 5 9 61 61 VAL .959 .975 .966 4 3 7 62 62 PHE .655 2.033 1.669 4 7 11 63 63 LEU .620 .784 .707 4 4 8 64 64 THR .532 .852 .688 4 3 7 65 65 VAL .487 1.034 .771 4 3 7 66 66 GLY .485 .000 .485 4 0 4 67 67 TRP .441 .292 .341 4 10 14 68 68 GLU .591 1.348 1.079 4 5 9 69 69 ASN .779 1.347 1.100 4 4 8 70 70 PHE .747 1.325 1.149 4 7 11 71 71 VAL .520 .495 .510 4 3 7 72 72 LYS .454 1.843 1.407 4 5 9 73 73 ASP .518 .779 .662 4 4 8 74 74 ASN .547 1.452 1.097 4 4 8 75 75 ASN .908 1.549 1.270 4 4 8 76 76 LEU 1.532 1.741 1.640 4 4 8 77 77 GLU .811 2.549 1.975 4 5 9 78 78 ASP .410 1.310 .971 4 4 8 79 79 GLY .251 .000 .251 4 0 4 80 80 LYS .513 1.877 1.440 4 5 9 81 81 TYR .874 1.821 1.570 4 8 12 82 82 LEU 1.009 1.569 1.319 4 4 8 83 83 GLN .856 2.788 2.155 4 5 9 84 84 PHE .895 1.367 1.217 4 7 11 85 85 ILE .958 1.271 1.126 4 4 8 86 86 TYR .840 1.802 1.549 4 8 12 87 87 ASP .904 1.741 1.387 4 4 8 88 88 ARG .576 1.077 .927 4 7 11 89 89 ASP .905 3.148 2.316 4 4 8 90 90 ARG 1.000 2.140 1.810 4 7 11 91 91 THR .847 1.315 1.073 4 3 7 92 92 PHE .774 1.272 1.116 4 7 11 93 93 TYR .802 1.689 1.455 4 8 12 94 94 VAL .817 .375 .665 4 3 7 95 95 ILE 1.004 1.670 1.378 4 4 8 96 96 ILE .820 1.101 .971 4 4 8 97 97 TYR .656 1.067 .950 4 8 12 98 98 GLY 1.768 .000 1.768 4 0 4 99 99 HIS 2.835 4.122 3.662 4 6 10 100 100 ASN 1.695 4.638 3.492 4 4 8 101 101 MET 2.562 3.806 3.244 4 4 8 102 102 CYS 5.324 7.569 6.318 3 2 5 ENDMDL Model RMS deviations: 1.6240 2.2529 1.9759 407 440 847 MODEL 9 1 1 MET 7.496 8.288 7.902 4 4 8 2 2 ALA 5.191 5.358 5.225 4 1 5 3 3 ASP 3.196 5.349 4.406 4 4 8 4 4 THR 1.735 2.382 2.038 4 3 7 5 5 GLY 1.075 .000 1.075 4 0 4 6 6 GLU 1.874 2.888 2.489 4 5 9 7 7 VAL 1.447 1.513 1.476 4 3 7 8 8 GLN 1.431 1.403 1.415 4 5 9 9 9 PHE 1.120 2.314 1.966 4 7 11 10 10 MET 1.087 1.495 1.307 4 4 8 11 11 LYS .602 .830 .738 4 5 9 12 12 PRO .593 .670 .628 4 3 7 13 13 PHE .900 1.297 1.169 4 7 11 14 14 ILE .812 1.635 1.291 4 4 8 15 15 SER 1.078 2.680 1.780 4 2 6 16 16 GLU 1.283 1.671 1.511 4 5 9 17 17 LYS 1.083 1.911 1.597 4 5 9 18 18 SER .629 .828 .702 4 2 6 19 19 SER .588 .943 .726 4 2 6 20 20 LYS .610 2.029 1.566 4 5 9 21 21 SER .863 1.283 1.023 4 2 6 22 22 LEU .699 .985 .854 4 4 8 23 23 GLU .675 2.181 1.687 4 5 9 24 24 ILE .527 .563 .545 4 4 8 25 25 PRO .760 .989 .866 4 3 7 26 26 LEU .619 .840 .738 4 4 8 27 27 GLY .690 .000 .690 4 0 4 28 28 PHE .731 2.284 1.874 4 7 11 29 29 ASN .418 .518 .471 4 4 8 30 30 GLU .242 2.479 1.855 4 5 9 31 31 TYR .526 1.514 1.273 4 8 12 32 32 PHE .510 .883 .769 4 7 11 33 33 PRO .447 .476 .460 4 3 7 34 34 ALA .305 .336 .311 4 1 5 35 35 PRO .316 .473 .391 4 3 7 36 36 PHE .332 .990 .815 4 7 11 37 37 PRO .193 .084 .156 4 3 7 38 38 ILE .448 .358 .405 4 4 8 39 39 THR .538 1.843 1.273 4 3 7 40 40 VAL .601 .885 .737 4 3 7 41 41 ASP .555 1.629 1.217 4 4 8 42 42 LEU .354 .427 .392 4 4 8 43 43 LEU .847 .987 .919 4 4 8 44 44 ASP 1.212 2.252 1.808 4 4 8 45 45 TYR 2.601 1.389 1.882 4 8 12 46 46 SER 1.900 5.656 3.615 4 2 6 47 47 GLY 2.024 .000 2.024 4 0 4 48 48 ARG 1.289 3.254 2.709 4 7 11 49 49 SER 1.645 2.142 1.826 4 2 6 50 50 TRP .961 1.222 1.154 4 10 14 51 51 THR 1.042 .949 1.003 4 3 7 52 52 VAL .719 1.466 1.103 4 3 7 53 53 ARG .723 1.181 1.038 4 7 11 54 54 MET .466 .684 .585 4 4 8 55 55 LYS .304 1.948 1.466 4 5 9 56 56 LYS .619 1.482 1.179 4 5 9 57 57 ARG .790 .918 .874 4 7 11 58 58 GLY .986 .000 .986 4 0 4 59 59 GLU .972 2.203 1.765 4 5 9 60 60 LYS .945 1.665 1.392 4 5 9 61 61 VAL .556 .572 .563 4 3 7 62 62 PHE .346 1.789 1.442 4 7 11 63 63 LEU .452 .491 .472 4 4 8 64 64 THR .343 .556 .447 4 3 7 65 65 VAL .470 1.264 .901 4 3 7 66 66 GLY .548 .000 .548 4 0 4 67 67 TRP .529 .529 .529 4 10 14 68 68 GLU .631 1.356 1.095 4 5 9 69 69 ASN .789 .788 .788 4 4 8 70 70 PHE .877 1.163 1.068 4 7 11 71 71 VAL .827 .644 .754 4 3 7 72 72 LYS .937 2.650 2.071 4 5 9 73 73 ASP 1.109 1.582 1.366 4 4 8 74 74 ASN 1.158 1.953 1.605 4 4 8 75 75 ASN 1.165 1.322 1.246 4 4 8 76 76 LEU 1.141 2.226 1.769 4 4 8 77 77 GLU .985 2.813 2.198 4 5 9 78 78 ASP 1.047 1.302 1.182 4 4 8 79 79 GLY 1.088 .000 1.088 4 0 4 80 80 LYS .995 1.279 1.161 4 5 9 81 81 TYR .606 1.914 1.602 4 8 12 82 82 LEU .526 1.931 1.415 4 4 8 83 83 GLN .642 2.763 2.103 4 5 9 84 84 PHE 1.070 1.387 1.281 4 7 11 85 85 ILE 1.268 1.178 1.224 4 4 8 86 86 TYR 1.307 2.500 2.176 4 8 12 87 87 ASP 1.174 1.285 1.231 4 4 8 88 88 ARG .987 2.981 2.451 4 7 11 89 89 ASP 1.019 1.295 1.165 4 4 8 90 90 ARG 1.137 3.027 2.510 4 7 11 91 91 THR 1.317 1.896 1.591 4 3 7 92 92 PHE .996 1.240 1.157 4 7 11 93 93 TYR .936 1.935 1.669 4 8 12 94 94 VAL .755 .824 .785 4 3 7 95 95 ILE .495 1.451 1.084 4 4 8 96 96 ILE .315 .827 .626 4 4 8 97 97 TYR .821 1.940 1.653 4 8 12 98 98 GLY .647 .000 .647 4 0 4 99 99 HIS 1.700 3.771 3.113 4 6 10 100 100 ASN 2.838 2.854 2.846 4 4 8 101 101 MET 3.512 4.561 4.070 4 4 8 102 102 CYS 3.715 3.863 3.774 3 2 5 ENDMDL Model RMS deviations: 1.4483 2.0838 1.8066 407 440 847 MODEL 10 1 1 MET 11.699 14.798 13.339 4 4 8 2 2 ALA 8.067 6.626 7.800 4 1 5 3 3 ASP 4.870 7.149 6.116 4 4 8 4 4 THR 2.216 3.957 3.085 4 3 7 5 5 GLY .829 .000 .829 4 0 4 6 6 GLU 1.023 1.256 1.158 4 5 9 7 7 VAL .888 1.119 .993 4 3 7 8 8 GLN 1.160 2.275 1.864 4 5 9 9 9 PHE .991 2.388 1.997 4 7 11 10 10 MET 1.207 1.971 1.634 4 4 8 11 11 LYS 1.083 1.978 1.642 4 5 9 12 12 PRO 1.112 1.539 1.312 4 3 7 13 13 PHE 1.019 1.681 1.475 4 7 11 14 14 ILE .834 .977 .908 4 4 8 15 15 SER 1.075 1.271 1.144 4 2 6 16 16 GLU 1.169 1.614 1.433 4 5 9 17 17 LYS .664 .796 .740 4 5 9 18 18 SER .981 2.401 1.601 4 2 6 19 19 SER 1.094 1.936 1.431 4 2 6 20 20 LYS 1.201 3.419 2.671 4 5 9 21 21 SER .909 1.388 1.092 4 2 6 22 22 LEU .661 1.198 .967 4 4 8 23 23 GLU .675 2.388 1.836 4 5 9 24 24 ILE .585 .521 .554 4 4 8 25 25 PRO .766 .946 .848 4 3 7 26 26 LEU .741 1.558 1.220 4 4 8 27 27 GLY .713 .000 .713 4 0 4 28 28 PHE .405 1.212 .997 4 7 11 29 29 ASN .353 .634 .513 4 4 8 30 30 GLU .645 1.906 1.484 4 5 9 31 31 TYR .485 .833 .736 4 8 12 32 32 PHE .681 1.446 1.225 4 7 11 33 33 PRO .949 1.016 .978 4 3 7 34 34 ALA .964 .924 .956 4 1 5 35 35 PRO 1.026 1.283 1.143 4 3 7 36 36 PHE .858 1.888 1.593 4 7 11 37 37 PRO .731 .687 .713 4 3 7 38 38 ILE .791 .826 .809 4 4 8 39 39 THR .675 .836 .748 4 3 7 40 40 VAL .746 1.476 1.119 4 3 7 41 41 ASP .664 1.149 .938 4 4 8 42 42 LEU .883 .945 .914 4 4 8 43 43 LEU 1.292 .907 1.117 4 4 8 44 44 ASP 1.684 2.092 1.899 4 4 8 45 45 TYR 2.197 4.471 3.864 4 8 12 46 46 SER 1.926 1.848 1.900 4 2 6 47 47 GLY 1.504 .000 1.504 4 0 4 48 48 ARG 1.236 2.580 2.189 4 7 11 49 49 SER .881 1.012 .926 4 2 6 50 50 TRP .602 .799 .748 4 10 14 51 51 THR .436 .575 .501 4 3 7 52 52 VAL .350 .758 .562 4 3 7 53 53 ARG .282 1.514 1.220 4 7 11 54 54 MET .305 .506 .418 4 4 8 55 55 LYS .262 1.700 1.279 4 5 9 56 56 LYS .630 2.016 1.560 4 5 9 57 57 ARG .392 1.382 1.127 4 7 11 58 58 GLY .536 .000 .536 4 0 4 59 59 GLU .628 1.290 1.049 4 5 9 60 60 LYS .707 2.706 2.071 4 5 9 61 61 VAL .330 .371 .348 4 3 7 62 62 PHE .444 3.875 3.103 4 7 11 63 63 LEU .617 .809 .720 4 4 8 64 64 THR .474 .633 .548 4 3 7 65 65 VAL .487 1.383 .977 4 3 7 66 66 GLY .479 .000 .479 4 0 4 67 67 TRP .446 .455 .453 4 10 14 68 68 GLU .533 1.468 1.150 4 5 9 69 69 ASN .445 1.094 .835 4 4 8 70 70 PHE .352 1.277 1.041 4 7 11 71 71 VAL .332 .706 .526 4 3 7 72 72 LYS .329 .928 .726 4 5 9 73 73 ASP .466 1.594 1.174 4 4 8 74 74 ASN .425 1.575 1.154 4 4 8 75 75 ASN .667 1.014 .858 4 4 8 76 76 LEU 1.415 1.642 1.533 4 4 8 77 77 GLU 1.269 1.739 1.548 4 5 9 78 78 ASP 1.184 1.891 1.578 4 4 8 79 79 GLY 1.127 .000 1.127 4 0 4 80 80 LYS 1.009 .973 .989 4 5 9 81 81 TYR 1.142 2.415 2.079 4 8 12 82 82 LEU 1.109 1.358 1.240 4 4 8 83 83 GLN 1.060 1.825 1.533 4 5 9 84 84 PHE .981 1.199 1.125 4 7 11 85 85 ILE .955 .897 .926 4 4 8 86 86 TYR .818 1.362 1.208 4 8 12 87 87 ASP 1.305 1.326 1.315 4 4 8 88 88 ARG 1.365 2.542 2.189 4 7 11 89 89 ASP .870 1.574 1.271 4 4 8 90 90 ARG 1.286 1.858 1.672 4 7 11 91 91 THR .744 .993 .860 4 3 7 92 92 PHE .769 1.486 1.273 4 7 11 93 93 TYR .680 1.667 1.416 4 8 12 94 94 VAL .870 1.056 .954 4 3 7 95 95 ILE .963 .867 .917 4 4 8 96 96 ILE .860 1.735 1.369 4 4 8 97 97 TYR .907 1.476 1.314 4 8 12 98 98 GLY 1.145 .000 1.145 4 0 4 99 99 HIS 1.712 5.948 4.733 4 6 10 100 100 ASN 4.195 6.470 5.452 4 4 8 101 101 MET 8.264 9.431 8.867 4 4 8 102 102 CYS 12.235 13.860 12.910 3 2 5 ENDMDL Model RMS deviations: 2.2387 2.8303 2.5631 407 440 847 MODEL 11 1 1 MET 5.118 6.397 5.793 4 4 8 2 2 ALA 4.764 6.371 5.126 4 1 5 3 3 ASP 3.037 2.968 3.002 4 4 8 4 4 THR 3.194 5.130 4.136 4 3 7 5 5 GLY 1.952 .000 1.952 4 0 4 6 6 GLU 1.104 1.848 1.562 4 5 9 7 7 VAL 1.179 1.889 1.524 4 3 7 8 8 GLN .730 1.702 1.359 4 5 9 9 9 PHE .650 1.361 1.155 4 7 11 10 10 MET .696 .868 .787 4 4 8 11 11 LYS .461 1.737 1.331 4 5 9 12 12 PRO .411 .594 .498 4 3 7 13 13 PHE .535 1.437 1.191 4 7 11 14 14 ILE .477 1.652 1.216 4 4 8 15 15 SER .749 .823 .774 4 2 6 16 16 GLU .923 1.505 1.279 4 5 9 17 17 LYS .747 1.015 .906 4 5 9 18 18 SER .631 .762 .677 4 2 6 19 19 SER .608 1.816 1.160 4 2 6 20 20 LYS .837 2.145 1.694 4 5 9 21 21 SER .638 1.171 .853 4 2 6 22 22 LEU .255 .643 .489 4 4 8 23 23 GLU .510 2.014 1.539 4 5 9 24 24 ILE .604 1.015 .835 4 4 8 25 25 PRO 1.039 1.321 1.168 4 3 7 26 26 LEU 1.097 2.378 1.852 4 4 8 27 27 GLY 1.645 .000 1.645 4 0 4 28 28 PHE 1.461 2.452 2.145 4 7 11 29 29 ASN .868 2.152 1.641 4 4 8 30 30 GLU 1.454 1.880 1.704 4 5 9 31 31 TYR 1.348 2.858 2.460 4 8 12 32 32 PHE .638 1.721 1.426 4 7 11 33 33 PRO .640 .738 .684 4 3 7 34 34 ALA .538 .687 .571 4 1 5 35 35 PRO .520 .781 .645 4 3 7 36 36 PHE .284 1.658 1.334 4 7 11 37 37 PRO .350 .533 .438 4 3 7 38 38 ILE .394 .374 .384 4 4 8 39 39 THR .499 .478 .490 4 3 7 40 40 VAL .910 1.124 1.008 4 3 7 41 41 ASP 1.020 2.165 1.692 4 4 8 42 42 LEU 1.022 .825 .929 4 4 8 43 43 LEU .567 1.236 .961 4 4 8 44 44 ASP .397 1.334 .985 4 4 8 45 45 TYR .435 2.601 2.138 4 8 12 46 46 SER .758 1.715 1.168 4 2 6 47 47 GLY .698 .000 .698 4 0 4 48 48 ARG .771 1.940 1.616 4 7 11 49 49 SER .773 .736 .761 4 2 6 50 50 TRP .913 .812 .842 4 10 14 51 51 THR .749 .762 .755 4 3 7 52 52 VAL .668 .859 .756 4 3 7 53 53 ARG .697 1.033 .925 4 7 11 54 54 MET .798 1.088 .954 4 4 8 55 55 LYS .352 2.005 1.513 4 5 9 56 56 LYS .804 1.855 1.483 4 5 9 57 57 ARG 1.417 1.518 1.482 4 7 11 58 58 GLY 1.445 .000 1.445 4 0 4 59 59 GLU .815 2.172 1.707 4 5 9 60 60 LYS .899 3.505 2.680 4 5 9 61 61 VAL .677 .614 .651 4 3 7 62 62 PHE .465 1.777 1.445 4 7 11 63 63 LEU .311 1.106 .812 4 4 8 64 64 THR .458 1.691 1.160 4 3 7 65 65 VAL .540 1.345 .970 4 3 7 66 66 GLY .523 .000 .523 4 0 4 67 67 TRP .476 .346 .388 4 10 14 68 68 GLU .532 1.375 1.084 4 5 9 69 69 ASN .584 .690 .639 4 4 8 70 70 PHE .552 .966 .839 4 7 11 71 71 VAL .547 .509 .531 4 3 7 72 72 LYS .697 2.414 1.859 4 5 9 73 73 ASP .756 .985 .878 4 4 8 74 74 ASN .938 1.131 1.039 4 4 8 75 75 ASN 1.049 1.229 1.143 4 4 8 76 76 LEU .998 1.840 1.481 4 4 8 77 77 GLU .692 1.375 1.124 4 5 9 78 78 ASP .470 1.878 1.369 4 4 8 79 79 GLY .377 .000 .377 4 0 4 80 80 LYS .249 2.299 1.722 4 5 9 81 81 TYR .356 .844 .719 4 8 12 82 82 LEU .183 1.704 1.212 4 4 8 83 83 GLN .336 1.645 1.246 4 5 9 84 84 PHE .295 .899 .739 4 7 11 85 85 ILE .585 .967 .799 4 4 8 86 86 TYR .923 2.721 2.284 4 8 12 87 87 ASP .903 1.678 1.348 4 4 8 88 88 ARG .659 1.168 1.013 4 7 11 89 89 ASP .658 1.302 1.031 4 4 8 90 90 ARG .712 2.811 2.283 4 7 11 91 91 THR .655 1.203 .931 4 3 7 92 92 PHE .639 1.217 1.045 4 7 11 93 93 TYR .596 1.753 1.472 4 8 12 94 94 VAL .540 .533 .537 4 3 7 95 95 ILE .488 1.413 1.057 4 4 8 96 96 ILE .911 1.670 1.345 4 4 8 97 97 TYR .711 2.312 1.932 4 8 12 98 98 GLY 2.313 .000 2.313 4 0 4 99 99 HIS 1.829 5.241 4.221 4 6 10 100 100 ASN 3.101 4.765 4.020 4 4 8 101 101 MET 5.860 6.867 6.383 4 4 8 102 102 CYS 7.366 6.518 7.039 3 2 5 ENDMDL Model RMS deviations: 1.4658 2.1232 1.8369 407 440 847 MODEL 12 1 1 MET 5.669 4.141 4.964 4 4 8 2 2 ALA 4.456 6.046 4.816 4 1 5 3 3 ASP 2.868 2.194 2.553 4 4 8 4 4 THR 2.981 5.351 4.165 4 3 7 5 5 GLY .876 .000 .876 4 0 4 6 6 GLU 1.412 2.526 2.105 4 5 9 7 7 VAL .896 .924 .908 4 3 7 8 8 GLN .848 1.373 1.169 4 5 9 9 9 PHE .543 1.814 1.484 4 7 11 10 10 MET .617 1.514 1.156 4 4 8 11 11 LYS .855 1.861 1.500 4 5 9 12 12 PRO .909 1.162 1.026 4 3 7 13 13 PHE .536 1.436 1.190 4 7 11 14 14 ILE .450 .712 .595 4 4 8 15 15 SER .554 .873 .677 4 2 6 16 16 GLU .671 1.226 1.017 4 5 9 17 17 LYS .673 1.141 .962 4 5 9 18 18 SER .670 1.026 .806 4 2 6 19 19 SER .700 1.091 .850 4 2 6 20 20 LYS .583 3.272 2.470 4 5 9 21 21 SER .695 .906 .772 4 2 6 22 22 LEU .213 .721 .531 4 4 8 23 23 GLU .318 1.169 .896 4 5 9 24 24 ILE .437 .573 .509 4 4 8 25 25 PRO .611 .547 .584 4 3 7 26 26 LEU .836 .859 .847 4 4 8 27 27 GLY 1.078 .000 1.078 4 0 4 28 28 PHE .809 1.552 1.331 4 7 11 29 29 ASN .869 2.040 1.568 4 4 8 30 30 GLU 1.197 1.597 1.433 4 5 9 31 31 TYR 1.136 1.475 1.372 4 8 12 32 32 PHE .819 .983 .927 4 7 11 33 33 PRO .601 .709 .649 4 3 7 34 34 ALA .411 .395 .408 4 1 5 35 35 PRO .227 .142 .195 4 3 7 36 36 PHE .263 1.011 .822 4 7 11 37 37 PRO .129 .266 .200 4 3 7 38 38 ILE .255 .446 .363 4 4 8 39 39 THR .471 .661 .560 4 3 7 40 40 VAL .467 1.231 .880 4 3 7 41 41 ASP .680 2.443 1.793 4 4 8 42 42 LEU .505 .388 .450 4 4 8 43 43 LEU .281 .704 .536 4 4 8 44 44 ASP .513 1.356 1.025 4 4 8 45 45 TYR .982 3.366 2.806 4 8 12 46 46 SER 1.519 2.193 1.772 4 2 6 47 47 GLY 1.390 .000 1.390 4 0 4 48 48 ARG 1.257 3.488 2.884 4 7 11 49 49 SER 1.033 1.168 1.080 4 2 6 50 50 TRP .798 .891 .866 4 10 14 51 51 THR .625 .686 .652 4 3 7 52 52 VAL .511 .933 .723 4 3 7 53 53 ARG .390 2.019 1.627 4 7 11 54 54 MET .503 .774 .653 4 4 8 55 55 LYS .574 1.043 .866 4 5 9 56 56 LYS .565 1.145 .933 4 5 9 57 57 ARG .516 1.788 1.460 4 7 11 58 58 GLY .692 .000 .692 4 0 4 59 59 GLU .644 3.534 2.669 4 5 9 60 60 LYS .457 2.477 1.871 4 5 9 61 61 VAL .405 .441 .421 4 3 7 62 62 PHE .323 1.797 1.447 4 7 11 63 63 LEU .339 .522 .440 4 4 8 64 64 THR .167 1.508 .995 4 3 7 65 65 VAL .228 1.373 .916 4 3 7 66 66 GLY .370 .000 .370 4 0 4 67 67 TRP .405 .288 .326 4 10 14 68 68 GLU .567 1.187 .962 4 5 9 69 69 ASN .568 .825 .708 4 4 8 70 70 PHE .848 1.074 .998 4 7 11 71 71 VAL .858 1.022 .932 4 3 7 72 72 LYS .690 1.751 1.384 4 5 9 73 73 ASP .766 1.372 1.111 4 4 8 74 74 ASN .947 1.478 1.241 4 4 8 75 75 ASN .946 .903 .925 4 4 8 76 76 LEU 1.141 1.660 1.424 4 4 8 77 77 GLU .658 1.787 1.402 4 5 9 78 78 ASP .691 2.108 1.569 4 4 8 79 79 GLY .513 .000 .513 4 0 4 80 80 LYS .558 2.476 1.882 4 5 9 81 81 TYR .623 1.721 1.450 4 8 12 82 82 LEU .456 1.023 .792 4 4 8 83 83 GLN .379 1.072 .838 4 5 9 84 84 PHE .351 1.146 .938 4 7 11 85 85 ILE .572 .838 .718 4 4 8 86 86 TYR .805 1.840 1.572 4 8 12 87 87 ASP 1.206 2.212 1.782 4 4 8 88 88 ARG 1.728 3.353 2.871 4 7 11 89 89 ASP 1.300 1.534 1.422 4 4 8 90 90 ARG .896 2.880 2.360 4 7 11 91 91 THR .574 .953 .760 4 3 7 92 92 PHE .493 1.162 .974 4 7 11 93 93 TYR .470 1.694 1.410 4 8 12 94 94 VAL .319 .608 .465 4 3 7 95 95 ILE .279 1.491 1.072 4 4 8 96 96 ILE .686 .912 .807 4 4 8 97 97 TYR .930 1.365 1.238 4 8 12 98 98 GLY 1.439 .000 1.439 4 0 4 99 99 HIS 1.272 3.001 2.460 4 6 10 100 100 ASN 3.245 5.167 4.314 4 4 8 101 101 MET 4.173 6.837 5.664 4 4 8 102 102 CYS 5.607 4.797 5.298 3 2 5 ENDMDL Model RMS deviations: 1.3116 1.9980 1.7031 407 440 847 MODEL 13 1 1 MET 7.205 7.441 7.324 4 4 8 2 2 ALA 7.183 8.988 7.579 4 1 5 3 3 ASP 3.670 4.226 3.958 4 4 8 4 4 THR 2.504 4.844 3.693 4 3 7 5 5 GLY .645 .000 .645 4 0 4 6 6 GLU 1.115 1.106 1.110 4 5 9 7 7 VAL .869 1.170 1.009 4 3 7 8 8 GLN .858 1.433 1.212 4 5 9 9 9 PHE .645 2.442 1.986 4 7 11 10 10 MET .751 1.154 .973 4 4 8 11 11 LYS .573 .823 .723 4 5 9 12 12 PRO .475 .719 .592 4 3 7 13 13 PHE .807 1.608 1.372 4 7 11 14 14 ILE .755 1.230 1.021 4 4 8 15 15 SER 1.151 1.280 1.195 4 2 6 16 16 GLU 1.615 2.323 2.039 4 5 9 17 17 LYS 1.117 2.669 2.125 4 5 9 18 18 SER .689 .615 .665 4 2 6 19 19 SER 1.423 1.520 1.456 4 2 6 20 20 LYS 1.152 1.036 1.089 4 5 9 21 21 SER 1.000 1.251 1.090 4 2 6 22 22 LEU .416 .859 .675 4 4 8 23 23 GLU .756 2.259 1.757 4 5 9 24 24 ILE .927 .840 .884 4 4 8 25 25 PRO 1.218 1.135 1.183 4 3 7 26 26 LEU 1.421 1.546 1.485 4 4 8 27 27 GLY 1.539 .000 1.539 4 0 4 28 28 PHE 1.504 2.855 2.452 4 7 11 29 29 ASN 1.213 2.953 2.257 4 4 8 30 30 GLU 1.593 2.648 2.241 4 5 9 31 31 TYR 1.647 1.807 1.755 4 8 12 32 32 PHE 1.456 1.964 1.796 4 7 11 33 33 PRO 1.473 1.596 1.527 4 3 7 34 34 ALA 1.311 1.296 1.308 4 1 5 35 35 PRO 1.224 1.433 1.318 4 3 7 36 36 PHE 1.015 1.815 1.572 4 7 11 37 37 PRO .877 .799 .845 4 3 7 38 38 ILE .934 1.072 1.005 4 4 8 39 39 THR 1.032 1.497 1.252 4 3 7 40 40 VAL .870 1.038 .946 4 3 7 41 41 ASP .887 2.603 1.945 4 4 8 42 42 LEU .528 .776 .664 4 4 8 43 43 LEU .459 .585 .526 4 4 8 44 44 ASP .756 1.138 .966 4 4 8 45 45 TYR 1.253 1.969 1.763 4 8 12 46 46 SER 1.382 2.066 1.642 4 2 6 47 47 GLY 1.438 .000 1.438 4 0 4 48 48 ARG 1.644 3.967 3.317 4 7 11 49 49 SER 1.687 1.712 1.696 4 2 6 50 50 TRP 1.260 1.628 1.532 4 10 14 51 51 THR 1.067 1.456 1.249 4 3 7 52 52 VAL .713 1.473 1.104 4 3 7 53 53 ARG .440 1.425 1.167 4 7 11 54 54 MET .470 .511 .491 4 4 8 55 55 LYS .539 1.310 1.040 4 5 9 56 56 LYS .688 1.801 1.418 4 5 9 57 57 ARG .704 2.237 1.834 4 7 11 58 58 GLY .759 .000 .759 4 0 4 59 59 GLU 1.022 2.371 1.894 4 5 9 60 60 LYS .858 1.645 1.353 4 5 9 61 61 VAL .691 .703 .696 4 3 7 62 62 PHE .663 4.083 3.281 4 7 11 63 63 LEU .560 .901 .750 4 4 8 64 64 THR .488 .713 .595 4 3 7 65 65 VAL .460 1.330 .938 4 3 7 66 66 GLY .599 .000 .599 4 0 4 67 67 TRP .513 .462 .477 4 10 14 68 68 GLU .751 1.595 1.290 4 5 9 69 69 ASN 1.026 1.095 1.061 4 4 8 70 70 PHE 1.239 1.635 1.503 4 7 11 71 71 VAL 1.269 1.075 1.190 4 3 7 72 72 LYS 1.351 1.685 1.546 4 5 9 73 73 ASP 1.643 1.824 1.736 4 4 8 74 74 ASN 1.766 2.041 1.908 4 4 8 75 75 ASN 1.810 1.736 1.774 4 4 8 76 76 LEU 1.551 2.045 1.815 4 4 8 77 77 GLU 1.180 1.951 1.653 4 5 9 78 78 ASP 1.182 2.052 1.675 4 4 8 79 79 GLY .620 .000 .620 4 0 4 80 80 LYS .564 1.916 1.477 4 5 9 81 81 TYR .347 .821 .700 4 8 12 82 82 LEU .245 .997 .726 4 4 8 83 83 GLN .217 1.107 .837 4 5 9 84 84 PHE .382 3.636 2.910 4 7 11 85 85 ILE .515 1.175 .907 4 4 8 86 86 TYR .703 1.161 1.031 4 8 12 87 87 ASP .785 1.841 1.415 4 4 8 88 88 ARG 1.412 3.373 2.822 4 7 11 89 89 ASP 1.235 1.757 1.518 4 4 8 90 90 ARG 1.318 1.422 1.385 4 7 11 91 91 THR .901 1.245 1.062 4 3 7 92 92 PHE .653 3.579 2.882 4 7 11 93 93 TYR .413 1.984 1.637 4 8 12 94 94 VAL .485 .687 .580 4 3 7 95 95 ILE .510 1.277 .973 4 4 8 96 96 ILE .699 1.188 .975 4 4 8 97 97 TYR .794 1.185 1.071 4 8 12 98 98 GLY 2.130 .000 2.130 4 0 4 99 99 HIS 4.814 8.368 7.161 4 6 10 100 100 ASN 4.743 7.109 6.043 4 4 8 101 101 MET 5.711 5.618 5.665 4 4 8 102 102 CYS 8.404 8.261 8.347 3 2 5 ENDMDL Model RMS deviations: 1.8745 2.5339 2.2414 407 440 847 MODEL 14 1 1 MET 7.031 9.311 8.251 4 4 8 2 2 ALA 6.585 7.432 6.762 4 1 5 3 3 ASP 5.400 7.534 6.554 4 4 8 4 4 THR 1.934 2.639 2.263 4 3 7 5 5 GLY .594 .000 .594 4 0 4 6 6 GLU 1.320 2.748 2.229 4 5 9 7 7 VAL 1.168 1.114 1.145 4 3 7 8 8 GLN 1.293 2.309 1.925 4 5 9 9 9 PHE 1.321 2.690 2.289 4 7 11 10 10 MET 1.210 1.058 1.137 4 4 8 11 11 LYS .651 1.093 .923 4 5 9 12 12 PRO .502 .781 .636 4 3 7 13 13 PHE .537 1.402 1.164 4 7 11 14 14 ILE .327 .355 .341 4 4 8 15 15 SER .431 .792 .577 4 2 6 16 16 GLU .460 1.458 1.129 4 5 9 17 17 LYS .305 .830 .651 4 5 9 18 18 SER .313 .798 .527 4 2 6 19 19 SER .295 1.181 .723 4 2 6 20 20 LYS .312 2.736 2.050 4 5 9 21 21 SER .384 .487 .421 4 2 6 22 22 LEU .232 .791 .583 4 4 8 23 23 GLU .268 1.720 1.294 4 5 9 24 24 ILE .315 .748 .574 4 4 8 25 25 PRO .446 .580 .508 4 3 7 26 26 LEU .335 1.160 .854 4 4 8 27 27 GLY .210 .000 .210 4 0 4 28 28 PHE .275 1.048 .852 4 7 11 29 29 ASN .315 1.166 .854 4 4 8 30 30 GLU .320 1.337 1.020 4 5 9 31 31 TYR .253 .929 .772 4 8 12 32 32 PHE .158 1.274 1.021 4 7 11 33 33 PRO .147 .147 .147 4 3 7 34 34 ALA .189 .209 .193 4 1 5 35 35 PRO .288 .328 .306 4 3 7 36 36 PHE .312 1.466 1.185 4 7 11 37 37 PRO .376 .358 .369 4 3 7 38 38 ILE .466 .692 .590 4 4 8 39 39 THR .431 .718 .572 4 3 7 40 40 VAL .429 1.071 .773 4 3 7 41 41 ASP .564 1.207 .942 4 4 8 42 42 LEU 1.020 .817 .924 4 4 8 43 43 LEU 1.050 1.377 1.224 4 4 8 44 44 ASP 1.542 2.292 1.953 4 4 8 45 45 TYR 2.967 1.858 2.288 4 8 12 46 46 SER 2.970 7.015 4.721 4 2 6 47 47 GLY 1.501 .000 1.501 4 0 4 48 48 ARG 1.484 5.573 4.535 4 7 11 49 49 SER 1.194 1.303 1.231 4 2 6 50 50 TRP .886 1.268 1.171 4 10 14 51 51 THR .747 .933 .832 4 3 7 52 52 VAL .688 1.566 1.150 4 3 7 53 53 ARG .663 1.510 1.269 4 7 11 54 54 MET .585 1.010 .825 4 4 8 55 55 LYS .466 1.701 1.305 4 5 9 56 56 LYS .250 .673 .528 4 5 9 57 57 ARG .518 3.004 2.416 4 7 11 58 58 GLY .664 .000 .664 4 0 4 59 59 GLU .559 1.852 1.430 4 5 9 60 60 LYS .602 1.813 1.410 4 5 9 61 61 VAL .327 .273 .305 4 3 7 62 62 PHE .528 1.832 1.496 4 7 11 63 63 LEU .664 .988 .841 4 4 8 64 64 THR .574 1.485 1.064 4 3 7 65 65 VAL .628 1.630 1.168 4 3 7 66 66 GLY .559 .000 .559 4 0 4 67 67 TRP .436 .387 .401 4 10 14 68 68 GLU .460 1.573 1.212 4 5 9 69 69 ASN .542 1.147 .897 4 4 8 70 70 PHE .492 1.281 1.064 4 7 11 71 71 VAL .496 .569 .528 4 3 7 72 72 LYS .619 2.343 1.794 4 5 9 73 73 ASP .546 1.987 1.457 4 4 8 74 74 ASN .444 1.171 .885 4 4 8 75 75 ASN .396 1.135 .850 4 4 8 76 76 LEU .379 1.374 1.008 4 4 8 77 77 GLU .332 1.925 1.451 4 5 9 78 78 ASP .402 1.078 .814 4 4 8 79 79 GLY .322 .000 .322 4 0 4 80 80 LYS .199 1.121 .846 4 5 9 81 81 TYR .414 .771 .674 4 8 12 82 82 LEU .722 1.042 .896 4 4 8 83 83 GLN .747 1.942 1.531 4 5 9 84 84 PHE .797 1.181 1.058 4 7 11 85 85 ILE .881 1.048 .968 4 4 8 86 86 TYR .808 1.528 1.332 4 8 12 87 87 ASP .820 1.629 1.290 4 4 8 88 88 ARG 1.182 2.399 2.042 4 7 11 89 89 ASP 1.060 1.200 1.132 4 4 8 90 90 ARG .962 2.042 1.729 4 7 11 91 91 THR .822 1.478 1.150 4 3 7 92 92 PHE .746 1.337 1.158 4 7 11 93 93 TYR .607 1.880 1.575 4 8 12 94 94 VAL .390 .429 .407 4 3 7 95 95 ILE .341 .636 .510 4 4 8 96 96 ILE .420 .948 .733 4 4 8 97 97 TYR .430 .898 .774 4 8 12 98 98 GLY 1.601 .000 1.601 4 0 4 99 99 HIS 2.287 5.114 4.217 4 6 10 100 100 ASN 1.920 3.681 2.936 4 4 8 101 101 MET 2.190 3.354 2.833 4 4 8 102 102 CYS 4.034 5.916 4.875 3 2 5 ENDMDL Model RMS deviations: 1.4480 2.2269 1.8931 407 440 847 MODEL 15 1 1 MET 3.978 5.639 4.880 4 4 8 2 2 ALA 3.984 5.398 4.304 4 1 5 3 3 ASP 3.089 1.661 2.480 4 4 8 4 4 THR 3.451 5.954 4.690 4 3 7 5 5 GLY 1.126 .000 1.126 4 0 4 6 6 GLU 1.281 2.218 1.861 4 5 9 7 7 VAL 1.192 1.595 1.379 4 3 7 8 8 GLN 1.507 2.303 1.989 4 5 9 9 9 PHE 1.129 3.673 3.008 4 7 11 10 10 MET 1.454 1.858 1.668 4 4 8 11 11 LYS .993 1.433 1.257 4 5 9 12 12 PRO .795 .973 .876 4 3 7 13 13 PHE .542 4.040 3.240 4 7 11 14 14 ILE .664 .840 .757 4 4 8 15 15 SER .607 .599 .604 4 2 6 16 16 GLU .526 .821 .705 4 5 9 17 17 LYS .666 2.017 1.567 4 5 9 18 18 SER .946 1.150 1.018 4 2 6 19 19 SER .994 .908 .966 4 2 6 20 20 LYS 1.035 2.504 1.990 4 5 9 21 21 SER .969 .891 .944 4 2 6 22 22 LEU .935 1.706 1.376 4 4 8 23 23 GLU .744 1.275 1.072 4 5 9 24 24 ILE .524 1.109 .867 4 4 8 25 25 PRO .405 .431 .416 4 3 7 26 26 LEU .384 .881 .680 4 4 8 27 27 GLY .397 .000 .397 4 0 4 28 28 PHE .358 2.233 1.794 4 7 11 29 29 ASN .254 .756 .564 4 4 8 30 30 GLU .323 2.325 1.747 4 5 9 31 31 TYR .517 1.406 1.186 4 8 12 32 32 PHE .628 1.390 1.171 4 7 11 33 33 PRO .621 .667 .641 4 3 7 34 34 ALA .507 .505 .507 4 1 5 35 35 PRO .454 .470 .461 4 3 7 36 36 PHE .415 1.450 1.183 4 7 11 37 37 PRO .419 .391 .407 4 3 7 38 38 ILE .482 .527 .505 4 4 8 39 39 THR .384 .543 .459 4 3 7 40 40 VAL .399 1.292 .898 4 3 7 41 41 ASP .571 1.451 1.103 4 4 8 42 42 LEU .487 .295 .402 4 4 8 43 43 LEU .752 .557 .662 4 4 8 44 44 ASP .920 3.320 2.436 4 4 8 45 45 TYR 1.347 1.026 1.143 4 8 12 46 46 SER 1.136 1.858 1.418 4 2 6 47 47 GLY 1.286 .000 1.286 4 0 4 48 48 ARG 1.221 2.395 2.048 4 7 11 49 49 SER 1.166 1.291 1.209 4 2 6 50 50 TRP .878 1.461 1.321 4 10 14 51 51 THR .503 .604 .549 4 3 7 52 52 VAL .213 1.564 1.036 4 3 7 53 53 ARG .375 1.101 .907 4 7 11 54 54 MET .469 .707 .600 4 4 8 55 55 LYS .535 1.570 1.223 4 5 9 56 56 LYS .844 1.551 1.286 4 5 9 57 57 ARG .929 2.592 2.142 4 7 11 58 58 GLY 1.007 .000 1.007 4 0 4 59 59 GLU .947 1.834 1.506 4 5 9 60 60 LYS .904 2.577 2.014 4 5 9 61 61 VAL .852 .969 .904 4 3 7 62 62 PHE .578 2.024 1.652 4 7 11 63 63 LEU .766 1.142 .972 4 4 8 64 64 THR .347 .771 .569 4 3 7 65 65 VAL .271 1.175 .796 4 3 7 66 66 GLY .272 .000 .272 4 0 4 67 67 TRP .200 .208 .205 4 10 14 68 68 GLU .364 1.754 1.330 4 5 9 69 69 ASN .575 .843 .722 4 4 8 70 70 PHE .252 .965 .785 4 7 11 71 71 VAL .375 .527 .447 4 3 7 72 72 LYS .457 1.800 1.376 4 5 9 73 73 ASP .616 1.216 .964 4 4 8 74 74 ASN .585 1.084 .871 4 4 8 75 75 ASN .736 1.220 1.008 4 4 8 76 76 LEU .716 1.169 .969 4 4 8 77 77 GLU .767 1.808 1.441 4 5 9 78 78 ASP .812 2.782 2.049 4 4 8 79 79 GLY .714 .000 .714 4 0 4 80 80 LYS .396 2.163 1.634 4 5 9 81 81 TYR .539 1.561 1.312 4 8 12 82 82 LEU .737 1.042 .902 4 4 8 83 83 GLN .890 1.511 1.273 4 5 9 84 84 PHE .939 1.318 1.195 4 7 11 85 85 ILE .969 1.379 1.192 4 4 8 86 86 TYR .961 1.642 1.451 4 8 12 87 87 ASP 1.043 2.667 2.025 4 4 8 88 88 ARG .796 .993 .926 4 7 11 89 89 ASP .831 1.098 .974 4 4 8 90 90 ARG .833 2.988 2.436 4 7 11 91 91 THR .880 1.527 1.201 4 3 7 92 92 PHE .682 1.337 1.143 4 7 11 93 93 TYR .718 1.458 1.261 4 8 12 94 94 VAL .734 .504 .646 4 3 7 95 95 ILE .643 1.503 1.156 4 4 8 96 96 ILE .637 .970 .821 4 4 8 97 97 TYR 1.086 2.171 1.880 4 8 12 98 98 GLY 1.853 .000 1.853 4 0 4 99 99 HIS 2.144 6.483 5.202 4 6 10 100 100 ASN 1.110 3.475 2.579 4 4 8 101 101 MET 2.511 5.504 4.278 4 4 8 102 102 CYS 4.649 4.088 4.433 3 2 5 ENDMDL Model RMS deviations: 1.1772 2.1069 1.7239 407 440 847 MODEL 16 1 1 MET 8.154 5.924 7.126 4 4 8 2 2 ALA 7.433 9.977 8.007 4 1 5 3 3 ASP 5.100 4.401 4.763 4 4 8 4 4 THR 4.220 6.983 5.575 4 3 7 5 5 GLY 1.455 .000 1.455 4 0 4 6 6 GLU .948 2.397 1.895 4 5 9 7 7 VAL .898 1.428 1.155 4 3 7 8 8 GLN 1.240 1.871 1.621 4 5 9 9 9 PHE .998 3.003 2.470 4 7 11 10 10 MET 1.030 1.556 1.320 4 4 8 11 11 LYS .717 1.485 1.206 4 5 9 12 12 PRO .662 .857 .752 4 3 7 13 13 PHE .569 2.721 2.198 4 7 11 14 14 ILE .717 .974 .855 4 4 8 15 15 SER .979 1.543 1.197 4 2 6 16 16 GLU 1.197 2.745 2.196 4 5 9 17 17 LYS 1.022 1.667 1.417 4 5 9 18 18 SER .673 1.695 1.122 4 2 6 19 19 SER .863 2.432 1.571 4 2 6 20 20 LYS .830 1.821 1.466 4 5 9 21 21 SER .669 .943 .771 4 2 6 22 22 LEU .566 .866 .731 4 4 8 23 23 GLU 1.003 2.468 1.957 4 5 9 24 24 ILE 1.076 .922 1.002 4 4 8 25 25 PRO 1.485 1.664 1.564 4 3 7 26 26 LEU 1.352 2.179 1.813 4 4 8 27 27 GLY 1.196 .000 1.196 4 0 4 28 28 PHE 1.733 4.418 3.676 4 7 11 29 29 ASN 1.584 3.097 2.460 4 4 8 30 30 GLU 1.125 3.234 2.524 4 5 9 31 31 TYR 1.250 2.840 2.429 4 8 12 32 32 PHE 1.060 1.412 1.296 4 7 11 33 33 PRO .907 1.002 .949 4 3 7 34 34 ALA .672 .860 .714 4 1 5 35 35 PRO .459 .523 .487 4 3 7 36 36 PHE .290 .875 .720 4 7 11 37 37 PRO .360 .547 .450 4 3 7 38 38 ILE .251 .396 .331 4 4 8 39 39 THR .447 .393 .425 4 3 7 40 40 VAL .354 1.131 .787 4 3 7 41 41 ASP .494 .884 .716 4 4 8 42 42 LEU .363 .312 .338 4 4 8 43 43 LEU .507 .957 .766 4 4 8 44 44 ASP .735 1.013 .885 4 4 8 45 45 TYR 1.237 2.065 1.832 4 8 12 46 46 SER .841 1.860 1.275 4 2 6 47 47 GLY .375 .000 .375 4 0 4 48 48 ARG .400 1.985 1.602 4 7 11 49 49 SER .341 .394 .360 4 2 6 50 50 TRP .214 .446 .394 4 10 14 51 51 THR .207 .248 .225 4 3 7 52 52 VAL .213 .675 .471 4 3 7 53 53 ARG .228 1.320 1.062 4 7 11 54 54 MET .335 .654 .520 4 4 8 55 55 LYS .516 1.387 1.090 4 5 9 56 56 LYS .865 2.530 1.972 4 5 9 57 57 ARG .825 2.292 1.895 4 7 11 58 58 GLY 1.122 .000 1.122 4 0 4 59 59 GLU 1.311 2.808 2.268 4 5 9 60 60 LYS 1.091 2.308 1.867 4 5 9 61 61 VAL .554 .694 .618 4 3 7 62 62 PHE .413 3.022 2.423 4 7 11 63 63 LEU .172 .261 .221 4 4 8 64 64 THR .236 .634 .452 4 3 7 65 65 VAL .355 1.162 .806 4 3 7 66 66 GLY .303 .000 .303 4 0 4 67 67 TRP .179 .378 .334 4 10 14 68 68 GLU .260 1.410 1.065 4 5 9 69 69 ASN .347 .314 .331 4 4 8 70 70 PHE .409 1.023 .852 4 7 11 71 71 VAL .569 .464 .527 4 3 7 72 72 LYS .668 1.771 1.393 4 5 9 73 73 ASP .745 1.333 1.080 4 4 8 74 74 ASN .633 1.658 1.255 4 4 8 75 75 ASN .542 .712 .633 4 4 8 76 76 LEU .463 1.233 .932 4 4 8 77 77 GLU .394 1.968 1.490 4 5 9 78 78 ASP .376 1.421 1.039 4 4 8 79 79 GLY .252 .000 .252 4 0 4 80 80 LYS .431 4.791 3.583 4 5 9 81 81 TYR .511 2.238 1.851 4 8 12 82 82 LEU .561 1.601 1.199 4 4 8 83 83 GLN .594 1.118 .923 4 5 9 84 84 PHE .614 1.338 1.130 4 7 11 85 85 ILE .713 .894 .808 4 4 8 86 86 TYR 1.137 1.759 1.579 4 8 12 87 87 ASP 1.247 2.151 1.758 4 4 8 88 88 ARG .981 2.227 1.872 4 7 11 89 89 ASP .857 1.168 1.024 4 4 8 90 90 ARG .658 3.579 2.883 4 7 11 91 91 THR .505 .907 .706 4 3 7 92 92 PHE .449 1.405 1.153 4 7 11 93 93 TYR .397 4.307 3.524 4 8 12 94 94 VAL .432 .409 .422 4 3 7 95 95 ILE .637 .712 .676 4 4 8 96 96 ILE .645 1.993 1.481 4 4 8 97 97 TYR .848 .836 .840 4 8 12 98 98 GLY 1.108 .000 1.108 4 0 4 99 99 HIS 1.726 3.432 2.874 4 6 10 100 100 ASN 1.888 3.475 2.796 4 4 8 101 101 MET 3.109 5.978 4.765 4 4 8 102 102 CYS 3.466 4.197 3.776 3 2 5 ENDMDL Model RMS deviations: 1.5661 2.3276 1.9982 407 440 847 MODEL 17 1 1 MET 5.585 5.395 5.491 4 4 8 2 2 ALA 4.947 6.361 5.260 4 1 5 3 3 ASP 4.134 7.122 5.823 4 4 8 4 4 THR 1.974 3.408 2.684 4 3 7 5 5 GLY 1.645 .000 1.645 4 0 4 6 6 GLU 1.240 1.241 1.240 4 5 9 7 7 VAL .678 .512 .612 4 3 7 8 8 GLN .783 1.483 1.223 4 5 9 9 9 PHE .463 2.368 1.910 4 7 11 10 10 MET .261 1.117 .811 4 4 8 11 11 LYS .386 1.567 1.196 4 5 9 12 12 PRO .389 .473 .427 4 3 7 13 13 PHE .347 1.426 1.157 4 7 11 14 14 ILE .326 .582 .472 4 4 8 15 15 SER .164 .487 .311 4 2 6 16 16 GLU .481 .911 .751 4 5 9 17 17 LYS .558 1.219 .982 4 5 9 18 18 SER .403 1.024 .677 4 2 6 19 19 SER .252 1.284 .769 4 2 6 20 20 LYS .253 2.637 1.973 4 5 9 21 21 SER .644 .917 .747 4 2 6 22 22 LEU .609 .660 .635 4 4 8 23 23 GLU .875 1.544 1.290 4 5 9 24 24 ILE 1.123 .911 1.022 4 4 8 25 25 PRO 1.449 1.667 1.546 4 3 7 26 26 LEU 1.386 1.643 1.520 4 4 8 27 27 GLY 1.329 .000 1.329 4 0 4 28 28 PHE 1.312 1.605 1.505 4 7 11 29 29 ASN 1.134 1.315 1.228 4 4 8 30 30 GLU 1.096 1.877 1.578 4 5 9 31 31 TYR 1.072 1.148 1.123 4 8 12 32 32 PHE .871 1.184 1.081 4 7 11 33 33 PRO .779 .918 .841 4 3 7 34 34 ALA .592 .533 .581 4 1 5 35 35 PRO .421 .375 .402 4 3 7 36 36 PHE .376 1.503 1.220 4 7 11 37 37 PRO .290 .289 .289 4 3 7 38 38 ILE .284 .558 .443 4 4 8 39 39 THR .460 1.320 .931 4 3 7 40 40 VAL .275 .832 .583 4 3 7 41 41 ASP .401 1.234 .918 4 4 8 42 42 LEU .396 .478 .439 4 4 8 43 43 LEU .572 1.752 1.303 4 4 8 44 44 ASP .893 1.558 1.270 4 4 8 45 45 TYR 1.228 2.897 2.469 4 8 12 46 46 SER 1.190 1.014 1.134 4 2 6 47 47 GLY 1.229 .000 1.229 4 0 4 48 48 ARG .890 1.359 1.210 4 7 11 49 49 SER .576 .552 .568 4 2 6 50 50 TRP .338 .596 .535 4 10 14 51 51 THR .236 .218 .229 4 3 7 52 52 VAL .142 .748 .501 4 3 7 53 53 ARG .243 1.376 1.107 4 7 11 54 54 MET .316 .679 .529 4 4 8 55 55 LYS .523 1.833 1.410 4 5 9 56 56 LYS .479 .795 .673 4 5 9 57 57 ARG .879 3.422 2.780 4 7 11 58 58 GLY 1.287 .000 1.287 4 0 4 59 59 GLU 1.063 2.272 1.836 4 5 9 60 60 LYS .630 1.850 1.442 4 5 9 61 61 VAL .743 .634 .698 4 3 7 62 62 PHE .526 1.681 1.378 4 7 11 63 63 LEU .379 .442 .411 4 4 8 64 64 THR .285 .508 .396 4 3 7 65 65 VAL .209 1.377 .916 4 3 7 66 66 GLY .127 .000 .127 4 0 4 67 67 TRP .215 .419 .372 4 10 14 68 68 GLU .179 1.226 .922 4 5 9 69 69 ASN .209 .711 .524 4 4 8 70 70 PHE .251 1.458 1.173 4 7 11 71 71 VAL .217 .353 .283 4 3 7 72 72 LYS .162 2.467 1.842 4 5 9 73 73 ASP .313 2.614 1.862 4 4 8 74 74 ASN .414 .951 .733 4 4 8 75 75 ASN .457 .866 .692 4 4 8 76 76 LEU .664 1.091 .903 4 4 8 77 77 GLU .379 2.491 1.874 4 5 9 78 78 ASP .383 1.868 1.348 4 4 8 79 79 GLY .358 .000 .358 4 0 4 80 80 LYS .369 1.220 .942 4 5 9 81 81 TYR .446 1.168 .988 4 8 12 82 82 LEU .501 2.280 1.651 4 4 8 83 83 GLN .508 1.130 .908 4 5 9 84 84 PHE .818 2.554 2.096 4 7 11 85 85 ILE .781 1.263 1.050 4 4 8 86 86 TYR .602 1.693 1.425 4 8 12 87 87 ASP .865 2.115 1.616 4 4 8 88 88 ARG .837 2.025 1.692 4 7 11 89 89 ASP .892 1.668 1.338 4 4 8 90 90 ARG .653 2.028 1.665 4 7 11 91 91 THR .643 1.647 1.183 4 3 7 92 92 PHE .806 1.239 1.101 4 7 11 93 93 TYR .588 1.729 1.452 4 8 12 94 94 VAL .768 1.667 1.236 4 3 7 95 95 ILE .850 1.244 1.065 4 4 8 96 96 ILE .708 .821 .766 4 4 8 97 97 TYR .613 1.367 1.171 4 8 12 98 98 GLY 1.203 .000 1.203 4 0 4 99 99 HIS 2.623 6.043 4.966 4 6 10 100 100 ASN 3.031 5.575 4.487 4 4 8 101 101 MET 2.821 3.869 3.386 4 4 8 102 102 CYS 2.191 4.332 3.222 3 2 5 ENDMDL Model RMS deviations: 1.2239 2.0430 1.6994 407 440 847 MODEL 18 1 1 MET 8.756 12.959 11.059 4 4 8 2 2 ALA 6.969 6.144 6.812 4 1 5 3 3 ASP 4.295 6.865 5.726 4 4 8 4 4 THR 2.802 4.780 3.779 4 3 7 5 5 GLY 1.279 .000 1.279 4 0 4 6 6 GLU .751 1.617 1.305 4 5 9 7 7 VAL .902 .988 .940 4 3 7 8 8 GLN 1.276 2.783 2.242 4 5 9 9 9 PHE 1.271 2.646 2.245 4 7 11 10 10 MET 1.216 1.283 1.250 4 4 8 11 11 LYS 1.141 1.690 1.472 4 5 9 12 12 PRO 1.029 1.124 1.071 4 3 7 13 13 PHE .711 1.589 1.339 4 7 11 14 14 ILE .585 .432 .515 4 4 8 15 15 SER .652 1.055 .809 4 2 6 16 16 GLU .608 .932 .804 4 5 9 17 17 LYS .623 2.622 1.998 4 5 9 18 18 SER .941 .798 .896 4 2 6 19 19 SER .730 1.015 .836 4 2 6 20 20 LYS 1.031 1.228 1.145 4 5 9 21 21 SER .926 1.058 .972 4 2 6 22 22 LEU .572 1.219 .952 4 4 8 23 23 GLU .632 2.560 1.954 4 5 9 24 24 ILE .576 .581 .578 4 4 8 25 25 PRO .953 1.299 1.115 4 3 7 26 26 LEU .797 1.661 1.303 4 4 8 27 27 GLY 1.150 .000 1.150 4 0 4 28 28 PHE 1.164 1.887 1.661 4 7 11 29 29 ASN .804 .782 .793 4 4 8 30 30 GLU 1.077 1.039 1.056 4 5 9 31 31 TYR 1.569 3.195 2.761 4 8 12 32 32 PHE 1.656 2.158 1.990 4 7 11 33 33 PRO 1.827 1.847 1.836 4 3 7 34 34 ALA 1.821 1.901 1.837 4 1 5 35 35 PRO 1.915 2.291 2.084 4 3 7 36 36 PHE 1.664 2.184 2.010 4 7 11 37 37 PRO 1.275 1.252 1.265 4 3 7 38 38 ILE .913 1.338 1.145 4 4 8 39 39 THR .672 .546 .621 4 3 7 40 40 VAL .808 1.528 1.172 4 3 7 41 41 ASP 1.190 1.978 1.632 4 4 8 42 42 LEU 1.342 1.012 1.188 4 4 8 43 43 LEU 1.181 1.503 1.352 4 4 8 44 44 ASP 1.214 1.341 1.280 4 4 8 45 45 TYR 1.013 2.593 2.197 4 8 12 46 46 SER 1.496 1.136 1.386 4 2 6 47 47 GLY 2.056 .000 2.056 4 0 4 48 48 ARG 1.870 2.673 2.412 4 7 11 49 49 SER 1.711 1.777 1.733 4 2 6 50 50 TRP 1.279 1.494 1.436 4 10 14 51 51 THR .758 .887 .816 4 3 7 52 52 VAL .565 1.532 1.090 4 3 7 53 53 ARG .478 2.270 1.834 4 7 11 54 54 MET .788 .839 .814 4 4 8 55 55 LYS .805 1.353 1.142 4 5 9 56 56 LYS 1.448 1.352 1.395 4 5 9 57 57 ARG 1.818 3.057 2.674 4 7 11 58 58 GLY 1.965 .000 1.965 4 0 4 59 59 GLU 1.140 1.570 1.396 4 5 9 60 60 LYS 1.257 4.087 3.159 4 5 9 61 61 VAL .408 .432 .419 4 3 7 62 62 PHE .330 3.965 3.169 4 7 11 63 63 LEU .318 .707 .548 4 4 8 64 64 THR .360 1.584 1.072 4 3 7 65 65 VAL .328 1.134 .783 4 3 7 66 66 GLY .435 .000 .435 4 0 4 67 67 TRP .362 .445 .423 4 10 14 68 68 GLU .588 1.288 1.037 4 5 9 69 69 ASN .793 1.028 .918 4 4 8 70 70 PHE .734 1.206 1.059 4 7 11 71 71 VAL .649 .432 .566 4 3 7 72 72 LYS .990 1.121 1.065 4 5 9 73 73 ASP 1.247 1.606 1.438 4 4 8 74 74 ASN 1.063 1.731 1.436 4 4 8 75 75 ASN 1.126 1.863 1.539 4 4 8 76 76 LEU .836 1.890 1.462 4 4 8 77 77 GLU .712 2.124 1.653 4 5 9 78 78 ASP .758 1.981 1.500 4 4 8 79 79 GLY .540 .000 .540 4 0 4 80 80 LYS .336 1.415 1.079 4 5 9 81 81 TYR .497 1.431 1.203 4 8 12 82 82 LEU .540 1.256 .966 4 4 8 83 83 GLN .961 2.214 1.770 4 5 9 84 84 PHE 1.251 1.465 1.391 4 7 11 85 85 ILE 1.663 1.598 1.631 4 4 8 86 86 TYR 2.531 4.075 3.634 4 8 12 87 87 ASP 2.313 6.066 4.591 4 4 8 88 88 ARG 1.464 7.985 6.431 4 7 11 89 89 ASP .903 2.334 1.769 4 4 8 90 90 ARG 1.332 2.635 2.250 4 7 11 91 91 THR 1.142 2.242 1.703 4 3 7 92 92 PHE 1.176 1.767 1.578 4 7 11 93 93 TYR 1.145 2.794 2.375 4 8 12 94 94 VAL 1.046 1.237 1.132 4 3 7 95 95 ILE .886 1.393 1.168 4 4 8 96 96 ILE 1.197 2.003 1.650 4 4 8 97 97 TYR 1.040 1.218 1.162 4 8 12 98 98 GLY 3.158 .000 3.158 4 0 4 99 99 HIS 3.408 5.892 5.048 4 6 10 100 100 ASN 1.926 3.613 2.895 4 4 8 101 101 MET 4.190 7.970 6.367 4 4 8 102 102 CYS 5.689 5.941 5.791 3 2 5 ENDMDL Model RMS deviations: 1.8277 2.9000 2.4442 407 440 847 MODEL 19 1 1 MET 4.365 5.420 4.921 4 4 8 2 2 ALA 3.498 4.613 3.747 4 1 5 3 3 ASP 1.926 3.014 2.529 4 4 8 4 4 THR 2.890 4.703 3.775 4 3 7 5 5 GLY 1.186 .000 1.186 4 0 4 6 6 GLU 1.040 2.751 2.164 4 5 9 7 7 VAL .953 1.383 1.157 4 3 7 8 8 GLN 1.161 1.716 1.495 4 5 9 9 9 PHE .952 2.423 2.016 4 7 11 10 10 MET .827 1.890 1.459 4 4 8 11 11 LYS .417 2.020 1.531 4 5 9 12 12 PRO .379 .372 .376 4 3 7 13 13 PHE .165 1.440 1.153 4 7 11 14 14 ILE .305 .422 .368 4 4 8 15 15 SER .420 1.347 .850 4 2 6 16 16 GLU .528 1.284 1.020 4 5 9 17 17 LYS .479 .961 .785 4 5 9 18 18 SER .356 .340 .351 4 2 6 19 19 SER .368 1.144 .725 4 2 6 20 20 LYS .210 1.647 1.236 4 5 9 21 21 SER .560 .421 .518 4 2 6 22 22 LEU .580 1.926 1.422 4 4 8 23 23 GLU .784 2.322 1.808 4 5 9 24 24 ILE .684 .990 .851 4 4 8 25 25 PRO .797 .966 .874 4 3 7 26 26 LEU .585 1.168 .924 4 4 8 27 27 GLY .543 .000 .543 4 0 4 28 28 PHE .322 2.357 1.890 4 7 11 29 29 ASN .256 2.104 1.499 4 4 8 30 30 GLU .230 1.265 .955 4 5 9 31 31 TYR .261 .770 .646 4 8 12 32 32 PHE .241 .886 .722 4 7 11 33 33 PRO .242 .244 .243 4 3 7 34 34 ALA .282 .320 .290 4 1 5 35 35 PRO .283 .270 .278 4 3 7 36 36 PHE .268 1.058 .859 4 7 11 37 37 PRO .261 .307 .281 4 3 7 38 38 ILE .301 .532 .432 4 4 8 39 39 THR .440 1.258 .888 4 3 7 40 40 VAL .404 .938 .686 4 3 7 41 41 ASP .583 2.265 1.654 4 4 8 42 42 LEU .471 .494 .482 4 4 8 43 43 LEU .618 .724 .673 4 4 8 44 44 ASP .766 1.444 1.156 4 4 8 45 45 TYR 1.008 4.570 3.777 4 8 12 46 46 SER .987 1.414 1.147 4 2 6 47 47 GLY .857 .000 .857 4 0 4 48 48 ARG .511 1.706 1.395 4 7 11 49 49 SER .361 .455 .395 4 2 6 50 50 TRP .324 .348 .341 4 10 14 51 51 THR .274 2.009 1.332 4 3 7 52 52 VAL .248 .696 .493 4 3 7 53 53 ARG .344 1.122 .919 4 7 11 54 54 MET .418 .397 .408 4 4 8 55 55 LYS .537 1.382 1.090 4 5 9 56 56 LYS .656 1.193 .991 4 5 9 57 57 ARG .615 1.650 1.368 4 7 11 58 58 GLY .967 .000 .967 4 0 4 59 59 GLU .796 1.709 1.380 4 5 9 60 60 LYS .862 1.098 1.000 4 5 9 61 61 VAL .492 .605 .543 4 3 7 62 62 PHE .244 1.758 1.410 4 7 11 63 63 LEU .503 .828 .685 4 4 8 64 64 THR .418 1.413 .978 4 3 7 65 65 VAL .318 1.373 .930 4 3 7 66 66 GLY .321 .000 .321 4 0 4 67 67 TRP .174 .608 .523 4 10 14 68 68 GLU .263 1.775 1.334 4 5 9 69 69 ASN .185 .397 .310 4 4 8 70 70 PHE .389 1.101 .909 4 7 11 71 71 VAL .395 .457 .423 4 3 7 72 72 LYS .270 2.458 1.841 4 5 9 73 73 ASP .246 .779 .578 4 4 8 74 74 ASN .441 .897 .707 4 4 8 75 75 ASN .639 .719 .680 4 4 8 76 76 LEU .358 .976 .735 4 4 8 77 77 GLU .214 .837 .640 4 5 9 78 78 ASP .273 1.288 .931 4 4 8 79 79 GLY .258 .000 .258 4 0 4 80 80 LYS .247 1.870 1.404 4 5 9 81 81 TYR .246 1.662 1.365 4 8 12 82 82 LEU .291 1.389 1.004 4 4 8 83 83 GLN .470 1.555 1.201 4 5 9 84 84 PHE .426 2.078 1.678 4 7 11 85 85 ILE .537 1.158 .903 4 4 8 86 86 TYR .622 1.323 1.138 4 8 12 87 87 ASP .733 1.876 1.424 4 4 8 88 88 ARG .975 1.937 1.653 4 7 11 89 89 ASP .791 1.127 .974 4 4 8 90 90 ARG .325 2.230 1.790 4 7 11 91 91 THR .452 .674 .558 4 3 7 92 92 PHE .347 1.446 1.172 4 7 11 93 93 TYR .428 4.387 3.590 4 8 12 94 94 VAL .677 1.728 1.242 4 3 7 95 95 ILE .820 2.540 1.887 4 4 8 96 96 ILE .815 .996 .910 4 4 8 97 97 TYR .731 .971 .898 4 8 12 98 98 GLY 1.295 .000 1.295 4 0 4 99 99 HIS 2.315 4.604 3.855 4 6 10 100 100 ASN 1.672 4.930 3.681 4 4 8 101 101 MET 4.094 5.625 4.919 4 4 8 102 102 CYS 6.601 7.393 6.929 3 2 5 ENDMDL Model RMS deviations: 1.1386 2.0553 1.6785 407 440 847 MODEL 20 1 1 MET 10.668 9.277 9.997 4 4 8 2 2 ALA 7.724 8.624 7.912 4 1 5 3 3 ASP 5.597 7.738 6.753 4 4 8 4 4 THR 1.999 3.135 2.549 4 3 7 5 5 GLY .664 .000 .664 4 0 4 6 6 GLU 1.022 1.542 1.336 4 5 9 7 7 VAL .806 1.284 1.038 4 3 7 8 8 GLN .709 1.883 1.481 4 5 9 9 9 PHE .668 2.675 2.172 4 7 11 10 10 MET .791 2.116 1.597 4 4 8 11 11 LYS .828 1.484 1.236 4 5 9 12 12 PRO .888 .818 .859 4 3 7 13 13 PHE .939 1.469 1.302 4 7 11 14 14 ILE .820 2.581 1.915 4 4 8 15 15 SER .943 1.423 1.126 4 2 6 16 16 GLU 1.175 2.013 1.693 4 5 9 17 17 LYS .827 1.194 1.047 4 5 9 18 18 SER .467 .791 .595 4 2 6 19 19 SER .735 1.374 .995 4 2 6 20 20 LYS .630 1.878 1.462 4 5 9 21 21 SER .538 .933 .695 4 2 6 22 22 LEU .347 .614 .499 4 4 8 23 23 GLU .591 1.676 1.310 4 5 9 24 24 ILE .840 .940 .891 4 4 8 25 25 PRO 1.277 1.296 1.285 4 3 7 26 26 LEU 1.569 1.477 1.524 4 4 8 27 27 GLY 1.684 .000 1.684 4 0 4 28 28 PHE 1.522 1.634 1.595 4 7 11 29 29 ASN 1.365 1.319 1.342 4 4 8 30 30 GLU 1.712 2.894 2.440 4 5 9 31 31 TYR 1.791 2.018 1.945 4 8 12 32 32 PHE 1.495 1.728 1.647 4 7 11 33 33 PRO 1.201 1.251 1.223 4 3 7 34 34 ALA .901 1.168 .960 4 1 5 35 35 PRO .948 1.177 1.053 4 3 7 36 36 PHE 1.024 3.119 2.564 4 7 11 37 37 PRO 1.402 1.246 1.337 4 3 7 38 38 ILE 1.533 1.756 1.648 4 4 8 39 39 THR 1.514 1.545 1.527 4 3 7 40 40 VAL 1.472 1.862 1.650 4 3 7 41 41 ASP 1.280 2.688 2.105 4 4 8 42 42 LEU 1.318 1.203 1.262 4 4 8 43 43 LEU 1.350 1.599 1.480 4 4 8 44 44 ASP 1.341 1.381 1.361 4 4 8 45 45 TYR 1.423 4.298 3.604 4 8 12 46 46 SER 1.456 2.063 1.683 4 2 6 47 47 GLY 1.559 .000 1.559 4 0 4 48 48 ARG 1.174 3.625 2.977 4 7 11 49 49 SER 1.224 1.333 1.261 4 2 6 50 50 TRP 1.196 1.116 1.139 4 10 14 51 51 THR 1.146 1.144 1.145 4 3 7 52 52 VAL 1.214 1.604 1.394 4 3 7 53 53 ARG 1.106 2.667 2.230 4 7 11 54 54 MET .961 1.111 1.038 4 4 8 55 55 LYS .670 1.466 1.180 4 5 9 56 56 LYS .587 1.200 .976 4 5 9 57 57 ARG .403 1.362 1.113 4 7 11 58 58 GLY .323 .000 .323 4 0 4 59 59 GLU .528 3.040 2.293 4 5 9 60 60 LYS .317 2.184 1.641 4 5 9 61 61 VAL .360 .450 .401 4 3 7 62 62 PHE .380 1.139 .937 4 7 11 63 63 LEU .620 .689 .656 4 4 8 64 64 THR .834 1.404 1.115 4 3 7 65 65 VAL 1.100 1.506 1.290 4 3 7 66 66 GLY .975 .000 .975 4 0 4 67 67 TRP .641 .491 .538 4 10 14 68 68 GLU .513 1.724 1.330 4 5 9 69 69 ASN .564 1.112 .882 4 4 8 70 70 PHE .543 1.375 1.145 4 7 11 71 71 VAL .325 .468 .393 4 3 7 72 72 LYS .236 1.006 .766 4 5 9 73 73 ASP .339 1.765 1.271 4 4 8 74 74 ASN .229 1.605 1.146 4 4 8 75 75 ASN .349 .824 .633 4 4 8 76 76 LEU .453 1.041 .803 4 4 8 77 77 GLU .603 .750 .689 4 5 9 78 78 ASP .700 1.077 .908 4 4 8 79 79 GLY .653 .000 .653 4 0 4 80 80 LYS .614 .672 .647 4 5 9 81 81 TYR .671 1.273 1.109 4 8 12 82 82 LEU .526 1.577 1.175 4 4 8 83 83 GLN .384 1.404 1.077 4 5 9 84 84 PHE .227 1.439 1.156 4 7 11 85 85 ILE .478 2.670 1.918 4 4 8 86 86 TYR .876 3.838 3.175 4 8 12 87 87 ASP 1.411 1.549 1.481 4 4 8 88 88 ARG 1.284 2.194 1.914 4 7 11 89 89 ASP .812 1.341 1.109 4 4 8 90 90 ARG .930 4.664 3.763 4 7 11 91 91 THR 1.246 1.686 1.451 4 3 7 92 92 PHE 1.382 1.484 1.448 4 7 11 93 93 TYR .980 4.217 3.490 4 8 12 94 94 VAL .946 2.156 1.583 4 3 7 95 95 ILE .599 1.445 1.106 4 4 8 96 96 ILE .896 1.049 .976 4 4 8 97 97 TYR 1.155 1.105 1.122 4 8 12 98 98 GLY 1.110 .000 1.110 4 0 4 99 99 HIS 1.333 2.017 1.775 4 6 10 100 100 ASN 1.992 3.351 2.756 4 4 8 101 101 MET 4.004 4.868 4.457 4 4 8 102 102 CYS 6.937 9.478 8.050 3 2 5 ENDMDL Model RMS deviations: 1.8781 2.4769 2.2095 407 440 847 ALL MODELS 1 1 MET 6.841 8.038 7.463 80 80 160 2 2 ALA 5.645 6.682 5.867 80 20 100 3 3 ASP 3.742 4.882 4.350 80 80 160 4 4 THR 2.757 4.649 3.689 80 60 140 5 5 GLY 1.214 .000 1.214 80 0 80 6 6 GLU 1.192 1.970 1.670 80 100 180 7 7 VAL .971 1.212 1.081 80 60 140 8 8 GLN 1.047 1.997 1.644 80 100 180 9 9 PHE .859 2.435 2.010 80 140 220 10 10 MET .878 1.551 1.260 80 80 160 11 11 LYS .700 1.675 1.333 80 100 180 12 12 PRO .668 .849 .751 80 60 140 13 13 PHE .638 2.094 1.714 80 140 220 14 14 ILE .584 1.070 .862 80 80 160 15 15 SER .708 1.184 .895 80 40 120 16 16 GLU .844 1.501 1.252 80 100 180 17 17 LYS .682 1.473 1.188 80 100 180 18 18 SER .613 1.088 .803 80 40 120 19 19 SER .665 1.308 .930 80 40 120 20 20 LYS .685 2.170 1.681 80 100 180 21 21 SER .712 .875 .770 80 40 120 22 22 LEU .528 .994 .796 80 80 160 23 23 GLU .642 1.942 1.509 80 100 180 24 24 ILE .707 .837 .775 80 80 160 25 25 PRO .959 1.074 1.010 80 60 140 26 26 LEU .981 1.448 1.237 80 80 160 27 27 GLY 1.087 .000 1.087 80 0 80 28 28 PHE 1.031 2.139 1.816 80 140 220 29 29 ASN .857 1.547 1.250 80 80 160 30 30 GLU .996 2.020 1.646 80 100 180 31 31 TYR 1.061 1.771 1.570 80 160 240 32 32 PHE .903 1.346 1.204 80 140 220 33 33 PRO .881 .948 .910 80 60 140 34 34 ALA .786 .818 .792 80 20 100 35 35 PRO .781 .941 .853 80 60 140 36 36 PHE .707 2.054 1.693 80 140 220 37 37 PRO .646 .605 .629 80 60 140 38 38 ILE .689 .834 .765 80 80 160 39 39 THR .679 .940 .802 80 60 140 40 40 VAL .686 1.164 .922 80 60 140 41 41 ASP .753 1.738 1.339 80 80 160 42 42 LEU .779 .783 .781 80 80 160 43 43 LEU .856 1.142 1.009 80 80 160 44 44 ASP 1.071 1.689 1.414 80 80 160 45 45 TYR 1.599 2.854 2.507 80 160 240 46 46 SER 1.573 2.904 2.112 80 40 120 47 47 GLY 1.350 .000 1.350 80 0 80 48 48 ARG 1.141 3.080 2.551 80 140 220 49 49 SER 1.043 1.133 1.074 80 40 120 50 50 TRP .799 1.036 .975 80 200 280 51 51 THR .666 .927 .788 80 60 140 52 52 VAL .532 1.147 .852 80 60 140 53 53 ARG .490 1.595 1.307 80 140 220 54 54 MET .526 .751 .648 80 80 160 55 55 LYS .527 1.807 1.392 80 100 180 56 56 LYS .735 1.460 1.193 80 100 180 57 57 ARG .852 2.310 1.913 80 140 220 58 58 GLY .979 .000 .979 80 0 80 59 59 GLU .917 2.238 1.777 80 100 180 60 60 LYS .835 2.352 1.839 80 100 180 61 61 VAL .563 .590 .575 80 60 140 62 62 PHE .445 2.353 1.896 80 140 220 63 63 LEU .469 .772 .639 80 80 160 64 64 THR .409 1.093 .780 80 60 140 65 65 VAL .461 1.317 .930 80 60 140 66 66 GLY .468 .000 .468 80 0 80 67 67 TRP .389 .448 .432 80 200 280 68 68 GLU .478 1.440 1.119 80 100 180 69 69 ASN .574 .921 .767 80 80 160 70 70 PHE .609 1.181 1.011 80 140 220 71 71 VAL .590 .586 .588 80 60 140 72 72 LYS .641 1.987 1.542 80 100 180 73 73 ASP .755 1.423 1.139 80 80 160 74 74 ASN .805 1.457 1.177 80 80 160 75 75 ASN .885 1.362 1.148 80 80 160 76 76 LEU .993 1.546 1.299 80 80 160 77 77 GLU .738 1.783 1.417 80 100 180 78 78 ASP .698 1.675 1.283 80 80 160 79 79 GLY .625 .000 .625 80 0 80 80 80 LYS .550 1.958 1.505 80 100 180 81 81 TYR .587 1.519 1.286 80 160 240 82 82 LEU .596 1.418 1.088 80 80 160 83 83 GLN .647 1.611 1.276 80 100 180 84 84 PHE .748 1.616 1.366 80 140 220 85 85 ILE .868 1.260 1.082 80 80 160 86 86 TYR 1.010 2.506 2.128 80 160 240 87 87 ASP 1.144 2.390 1.873 80 80 160 88 88 ARG 1.230 2.914 2.440 80 140 220 89 89 ASP .958 1.633 1.338 80 80 160 90 90 ARG .909 2.696 2.219 80 140 220 91 91 THR .837 1.393 1.110 80 60 140 92 92 PHE .761 1.476 1.264 80 140 220 93 93 TYR .707 2.605 2.166 80 160 240 94 94 VAL .659 .976 .810 80 60 140 95 95 ILE .654 1.398 1.092 80 80 160 96 96 ILE .751 1.371 1.106 80 80 160 97 97 TYR .841 1.424 1.260 80 160 240 98 98 GLY 1.608 .000 1.608 80 0 80 99 99 HIS 2.670 4.969 4.203 80 120 200 100 100 ASN 3.171 5.021 4.199 80 80 160 101 101 MET 4.439 5.651 5.082 80 80 160 102 102 CYS 6.326 7.297 6.731 60 40 100 ENDMDL Overall RMS deviation: 1.5123 2.2430 1.9267 8140 8800 16940