MODEL 1 1 1 MET 2.744 5.800 4.537 4 4 8 2 2 ALA 1.673 2.731 1.932 4 1 5 3 3 ASP 1.916 2.116 2.018 4 4 8 4 4 THR 3.514 5.462 4.454 4 3 7 5 5 GLY 2.370 .000 2.370 4 0 4 6 6 GLU .472 3.900 2.924 4 5 9 7 7 VAL .484 1.207 .871 4 3 7 8 8 GLN .464 1.912 1.458 4 5 9 9 9 PHE .452 3.033 2.435 4 7 11 10 10 MET .245 1.203 .868 4 4 8 11 11 LYS .583 .873 .758 4 5 9 12 12 PRO .565 .235 .454 4 3 7 13 13 PHE 1.005 1.745 1.518 4 7 11 14 14 ILE .773 .871 .823 4 4 8 15 15 SER .473 .591 .515 4 2 6 16 16 GLU .467 2.814 2.120 4 5 9 17 17 LYS .590 1.711 1.335 4 5 9 18 18 SER .673 1.036 .812 4 2 6 19 19 SER .494 1.226 .815 4 2 6 20 20 LYS .547 1.505 1.179 4 5 9 21 21 SER .658 2.060 1.305 4 2 6 22 22 LEU .551 1.531 1.151 4 4 8 23 23 GLU .471 1.396 1.087 4 5 9 24 24 ILE .484 .729 .619 4 4 8 25 25 PRO .798 1.002 .891 4 3 7 26 26 LEU .863 .513 .710 4 4 8 27 27 GLY 1.230 .000 1.230 4 0 4 28 28 PHE 1.296 3.450 2.861 4 7 11 29 29 ASN 1.132 1.612 1.393 4 4 8 30 30 GLU 1.307 2.379 1.976 4 5 9 31 31 TYR 1.240 1.434 1.372 4 8 12 32 32 PHE .934 1.429 1.271 4 7 11 33 33 PRO 1.000 .691 .881 4 3 7 34 34 ALA .803 1.680 1.040 4 1 5 35 35 PRO 1.128 1.431 1.267 4 3 7 36 36 PHE .831 2.272 1.881 4 7 11 37 37 PRO .842 1.352 1.090 4 3 7 38 38 ILE .730 1.156 .967 4 4 8 39 39 THR .624 .705 .660 4 3 7 40 40 VAL .556 .835 .689 4 3 7 41 41 ASP .438 2.659 1.906 4 4 8 42 42 LEU .570 .781 .684 4 4 8 43 43 LEU .652 1.067 .884 4 4 8 44 44 ASP .624 2.007 1.486 4 4 8 45 45 TYR .816 1.551 1.351 4 8 12 46 46 SER .621 .464 .573 4 2 6 47 47 GLY .907 .000 .907 4 0 4 48 48 ARG .566 1.293 1.087 4 7 11 49 49 SER .519 .776 .616 4 2 6 50 50 TRP .179 .260 .239 4 10 14 51 51 THR .547 .583 .562 4 3 7 52 52 VAL .703 1.918 1.363 4 3 7 53 53 ARG .565 1.284 1.079 4 7 11 54 54 MET .622 .840 .739 4 4 8 55 55 LYS .756 .808 .785 4 5 9 56 56 LYS .462 .522 .496 4 5 9 57 57 ARG .870 3.120 2.544 4 7 11 58 58 GLY .824 .000 .824 4 0 4 59 59 GLU 1.025 1.749 1.472 4 5 9 60 60 LYS .689 1.645 1.310 4 5 9 61 61 VAL .553 .859 .701 4 3 7 62 62 PHE .548 1.283 1.075 4 7 11 63 63 LEU .532 1.202 .929 4 4 8 64 64 THR .351 .978 .693 4 3 7 65 65 VAL .135 .950 .630 4 3 7 66 66 GLY .195 .000 .195 4 0 4 67 67 TRP .234 .354 .324 4 10 14 68 68 GLU .273 1.092 .834 4 5 9 69 69 ASN .313 .799 .607 4 4 8 70 70 PHE .237 .907 .738 4 7 11 71 71 VAL .294 .233 .270 4 3 7 72 72 LYS .474 1.704 1.308 4 5 9 73 73 ASP .571 .739 .660 4 4 8 74 74 ASN .607 .940 .791 4 4 8 75 75 ASN .524 .792 .672 4 4 8 76 76 LEU .368 .667 .539 4 4 8 77 77 GLU .391 1.568 1.198 4 5 9 78 78 ASP .639 1.945 1.448 4 4 8 79 79 GLY .881 .000 .881 4 0 4 80 80 LYS .653 1.830 1.432 4 5 9 81 81 TYR .459 1.416 1.186 4 8 12 82 82 LEU .459 1.477 1.093 4 4 8 83 83 GLN .415 1.239 .964 4 5 9 84 84 PHE .452 1.303 1.075 4 7 11 85 85 ILE .729 .801 .766 4 4 8 86 86 TYR .921 2.236 1.902 4 8 12 87 87 ASP 1.518 2.261 1.925 4 4 8 88 88 ARG 1.367 2.307 2.016 4 7 11 89 89 ASP 1.141 1.842 1.532 4 4 8 90 90 ARG 1.051 2.724 2.264 4 7 11 91 91 THR .440 .536 .484 4 3 7 92 92 PHE .476 1.158 .968 4 7 11 93 93 TYR .456 2.423 1.996 4 8 12 94 94 VAL .415 1.285 .898 4 3 7 95 95 ILE .291 .974 .719 4 4 8 96 96 ILE .543 1.557 1.166 4 4 8 97 97 TYR .945 .810 .857 4 8 12 98 98 GLY .998 .000 .998 4 0 4 99 99 HIS 1.727 3.700 3.067 4 6 10 100 100 ASN 2.207 5.542 4.218 4 4 8 101 101 MET 2.423 3.334 2.914 4 4 8 102 102 CYS 4.117 4.487 4.269 3 2 5 ENDMDL Model RMS deviations: 1.0184 1.9473 1.5710 407 440 847 MODEL 2 1 1 MET 7.350 6.988 7.172 4 4 8 2 2 ALA 5.936 7.827 6.359 4 1 5 3 3 ASP 3.693 2.960 3.347 4 4 8 4 4 THR 2.983 5.021 3.986 4 3 7 5 5 GLY 1.135 .000 1.135 4 0 4 6 6 GLU .846 1.970 1.573 4 5 9 7 7 VAL .705 1.035 .862 4 3 7 8 8 GLN .914 1.236 1.104 4 5 9 9 9 PHE .796 3.408 2.760 4 7 11 10 10 MET .824 1.190 1.024 4 4 8 11 11 LYS .448 1.146 .905 4 5 9 12 12 PRO .598 .981 .786 4 3 7 13 13 PHE .569 1.460 1.214 4 7 11 14 14 ILE .751 .906 .832 4 4 8 15 15 SER .708 .561 .662 4 2 6 16 16 GLU .785 1.529 1.254 4 5 9 17 17 LYS .763 1.462 1.203 4 5 9 18 18 SER .822 .643 .767 4 2 6 19 19 SER .948 1.855 1.322 4 2 6 20 20 LYS .815 3.066 2.349 4 5 9 21 21 SER .835 2.523 1.609 4 2 6 22 22 LEU .677 1.902 1.428 4 4 8 23 23 GLU .581 1.309 1.050 4 5 9 24 24 ILE .517 .880 .722 4 4 8 25 25 PRO .850 .754 .810 4 3 7 26 26 LEU 1.162 1.111 1.137 4 4 8 27 27 GLY 1.455 .000 1.455 4 0 4 28 28 PHE 1.227 1.992 1.753 4 7 11 29 29 ASN 1.239 1.508 1.380 4 4 8 30 30 GLU 1.146 2.423 1.961 4 5 9 31 31 TYR 1.112 1.207 1.176 4 8 12 32 32 PHE 1.152 2.404 2.040 4 7 11 33 33 PRO .910 1.121 1.006 4 3 7 34 34 ALA 1.053 1.431 1.139 4 1 5 35 35 PRO 1.638 1.938 1.773 4 3 7 36 36 PHE .841 2.670 2.190 4 7 11 37 37 PRO .695 1.016 .847 4 3 7 38 38 ILE .468 .503 .486 4 4 8 39 39 THR .368 .487 .423 4 3 7 40 40 VAL .359 .837 .611 4 3 7 41 41 ASP .251 1.046 .760 4 4 8 42 42 LEU .730 .503 .627 4 4 8 43 43 LEU .745 2.172 1.624 4 4 8 44 44 ASP 1.245 2.292 1.845 4 4 8 45 45 TYR 1.748 3.712 3.195 4 8 12 46 46 SER 1.653 5.993 3.714 4 2 6 47 47 GLY 1.209 .000 1.209 4 0 4 48 48 ARG .773 3.208 2.601 4 7 11 49 49 SER .854 1.540 1.130 4 2 6 50 50 TRP .617 .621 .620 4 10 14 51 51 THR .558 .530 .546 4 3 7 52 52 VAL .669 .988 .821 4 3 7 53 53 ARG .450 .749 .657 4 7 11 54 54 MET .479 1.381 1.033 4 4 8 55 55 LYS .267 1.038 .794 4 5 9 56 56 LYS .298 1.007 .776 4 5 9 57 57 ARG .357 3.060 2.451 4 7 11 58 58 GLY .536 .000 .536 4 0 4 59 59 GLU .584 1.702 1.327 4 5 9 60 60 LYS .351 2.552 1.916 4 5 9 61 61 VAL .302 .589 .448 4 3 7 62 62 PHE .424 1.955 1.580 4 7 11 63 63 LEU .542 1.129 .886 4 4 8 64 64 THR .578 .857 .711 4 3 7 65 65 VAL .513 1.293 .931 4 3 7 66 66 GLY .585 .000 .585 4 0 4 67 67 TRP .595 .698 .670 4 10 14 68 68 GLU .591 1.461 1.158 4 5 9 69 69 ASN .611 .746 .682 4 4 8 70 70 PHE .583 1.178 1.003 4 7 11 71 71 VAL .571 .533 .555 4 3 7 72 72 LYS .698 2.425 1.867 4 5 9 73 73 ASP .658 .781 .722 4 4 8 74 74 ASN .597 1.134 .906 4 4 8 75 75 ASN .613 1.033 .850 4 4 8 76 76 LEU .482 1.359 1.020 4 4 8 77 77 GLU .594 1.710 1.335 4 5 9 78 78 ASP .759 1.997 1.511 4 4 8 79 79 GLY .762 .000 .762 4 0 4 80 80 LYS .434 1.135 .894 4 5 9 81 81 TYR .291 .800 .674 4 8 12 82 82 LEU .552 1.682 1.252 4 4 8 83 83 GLN .565 1.328 1.059 4 5 9 84 84 PHE .855 1.083 1.006 4 7 11 85 85 ILE .989 1.063 1.027 4 4 8 86 86 TYR 1.117 1.952 1.719 4 8 12 87 87 ASP 1.726 2.664 2.245 4 4 8 88 88 ARG .803 1.915 1.602 4 7 11 89 89 ASP .662 1.195 .966 4 4 8 90 90 ARG .715 4.154 3.342 4 7 11 91 91 THR .433 .801 .618 4 3 7 92 92 PHE .491 .832 .727 4 7 11 93 93 TYR .567 3.494 2.872 4 8 12 94 94 VAL .521 .883 .699 4 3 7 95 95 ILE .474 1.606 1.184 4 4 8 96 96 ILE .440 .915 .718 4 4 8 97 97 TYR .596 .953 .851 4 8 12 98 98 GLY 1.273 .000 1.273 4 0 4 99 99 HIS 1.812 4.057 3.345 4 6 10 100 100 ASN 2.327 4.797 3.770 4 4 8 101 101 MET 2.965 3.943 3.489 4 4 8 102 102 CYS 4.665 5.273 4.917 3 2 5 ENDMDL Model RMS deviations: 1.4269 2.1916 1.8638 407 440 847 MODEL 3 1 1 MET 6.587 6.821 6.705 4 4 8 2 2 ALA 3.490 3.131 3.421 4 1 5 3 3 ASP 2.771 4.946 4.009 4 4 8 4 4 THR 1.954 3.009 2.462 4 3 7 5 5 GLY 1.052 .000 1.052 4 0 4 6 6 GLU .882 1.446 1.228 4 5 9 7 7 VAL 1.023 1.386 1.192 4 3 7 8 8 GLN .963 2.014 1.633 4 5 9 9 9 PHE .887 .989 .953 4 7 11 10 10 MET .811 1.336 1.105 4 4 8 11 11 LYS .720 .874 .809 4 5 9 12 12 PRO .611 .956 .778 4 3 7 13 13 PHE .786 2.057 1.708 4 7 11 14 14 ILE .528 .872 .721 4 4 8 15 15 SER .844 .970 .888 4 2 6 16 16 GLU .820 1.207 1.053 4 5 9 17 17 LYS .723 .790 .761 4 5 9 18 18 SER .741 1.108 .880 4 2 6 19 19 SER .758 1.040 .862 4 2 6 20 20 LYS .711 2.236 1.733 4 5 9 21 21 SER .491 .944 .677 4 2 6 22 22 LEU .345 .934 .704 4 4 8 23 23 GLU .230 1.275 .962 4 5 9 24 24 ILE .291 .410 .356 4 4 8 25 25 PRO .478 .504 .489 4 3 7 26 26 LEU .726 .765 .746 4 4 8 27 27 GLY .732 .000 .732 4 0 4 28 28 PHE .693 1.138 .999 4 7 11 29 29 ASN .640 1.319 1.037 4 4 8 30 30 GLU .639 .908 .800 4 5 9 31 31 TYR .692 1.046 .943 4 8 12 32 32 PHE .802 1.427 1.237 4 7 11 33 33 PRO 1.138 1.363 1.239 4 3 7 34 34 ALA 2.264 3.568 2.578 4 1 5 35 35 PRO 2.756 3.649 3.170 4 3 7 36 36 PHE 1.520 2.750 2.377 4 7 11 37 37 PRO 1.377 2.017 1.682 4 3 7 38 38 ILE .714 .658 .687 4 4 8 39 39 THR .517 .607 .557 4 3 7 40 40 VAL .523 .948 .736 4 3 7 41 41 ASP .416 1.215 .908 4 4 8 42 42 LEU .303 .584 .465 4 4 8 43 43 LEU .555 .886 .740 4 4 8 44 44 ASP .489 1.456 1.086 4 4 8 45 45 TYR .484 2.517 2.074 4 8 12 46 46 SER .543 1.159 .803 4 2 6 47 47 GLY .547 .000 .547 4 0 4 48 48 ARG .492 2.459 1.984 4 7 11 49 49 SER .464 .779 .588 4 2 6 50 50 TRP .339 .308 .317 4 10 14 51 51 THR .438 1.844 1.252 4 3 7 52 52 VAL .460 .808 .633 4 3 7 53 53 ARG .575 1.785 1.465 4 7 11 54 54 MET .535 2.175 1.584 4 4 8 55 55 LYS .655 .996 .861 4 5 9 56 56 LYS .586 .982 .830 4 5 9 57 57 ARG .575 1.528 1.267 4 7 11 58 58 GLY .339 .000 .339 4 0 4 59 59 GLU .244 2.283 1.709 4 5 9 60 60 LYS .438 3.624 2.717 4 5 9 61 61 VAL .547 1.721 1.200 4 3 7 62 62 PHE .566 1.268 1.067 4 7 11 63 63 LEU .475 1.240 .939 4 4 8 64 64 THR .394 .598 .492 4 3 7 65 65 VAL .595 1.525 1.095 4 3 7 66 66 GLY .258 .000 .258 4 0 4 67 67 TRP .302 .403 .377 4 10 14 68 68 GLU .475 1.591 1.228 4 5 9 69 69 ASN .287 .574 .453 4 4 8 70 70 PHE .487 1.048 .886 4 7 11 71 71 VAL .613 .866 .732 4 3 7 72 72 LYS .578 .977 .824 4 5 9 73 73 ASP .522 1.197 .924 4 4 8 74 74 ASN .606 1.413 1.087 4 4 8 75 75 ASN .632 .618 .625 4 4 8 76 76 LEU .729 1.588 1.236 4 4 8 77 77 GLU .718 1.858 1.465 4 5 9 78 78 ASP .833 1.777 1.388 4 4 8 79 79 GLY .869 .000 .869 4 0 4 80 80 LYS .737 1.878 1.483 4 5 9 81 81 TYR .753 1.247 1.107 4 8 12 82 82 LEU .690 1.889 1.422 4 4 8 83 83 GLN .681 2.691 2.057 4 5 9 84 84 PHE .771 1.030 .944 4 7 11 85 85 ILE .934 .953 .944 4 4 8 86 86 TYR .949 2.278 1.939 4 8 12 87 87 ASP .985 1.994 1.573 4 4 8 88 88 ARG 1.185 1.910 1.683 4 7 11 89 89 ASP .664 1.401 1.096 4 4 8 90 90 ARG .599 3.608 2.900 4 7 11 91 91 THR .519 .977 .750 4 3 7 92 92 PHE .429 1.174 .971 4 7 11 93 93 TYR .623 2.322 1.929 4 8 12 94 94 VAL .634 1.891 1.327 4 3 7 95 95 ILE .757 1.377 1.111 4 4 8 96 96 ILE 1.017 1.726 1.416 4 4 8 97 97 TYR 1.034 2.058 1.783 4 8 12 98 98 GLY .744 .000 .744 4 0 4 99 99 HIS 2.202 3.336 2.935 4 6 10 100 100 ASN 3.502 5.990 4.906 4 4 8 101 101 MET 4.224 3.959 4.093 4 4 8 102 102 CYS 6.381 6.979 6.627 3 2 5 ENDMDL Model RMS deviations: 1.3655 2.0300 1.7427 407 440 847 MODEL 4 1 1 MET 6.358 8.484 7.497 4 4 8 2 2 ALA 4.769 4.103 4.643 4 1 5 3 3 ASP 2.931 5.797 4.593 4 4 8 4 4 THR 2.142 4.082 3.124 4 3 7 5 5 GLY 1.662 .000 1.662 4 0 4 6 6 GLU 1.040 1.300 1.192 4 5 9 7 7 VAL 1.009 1.515 1.251 4 3 7 8 8 GLN .716 1.306 1.084 4 5 9 9 9 PHE .609 2.102 1.716 4 7 11 10 10 MET .952 1.460 1.233 4 4 8 11 11 LYS .891 1.456 1.237 4 5 9 12 12 PRO .922 1.535 1.223 4 3 7 13 13 PHE .463 1.750 1.424 4 7 11 14 14 ILE .403 1.257 .933 4 4 8 15 15 SER .377 .473 .411 4 2 6 16 16 GLU .654 1.385 1.121 4 5 9 17 17 LYS .339 2.199 1.654 4 5 9 18 18 SER .358 .514 .417 4 2 6 19 19 SER .478 .912 .655 4 2 6 20 20 LYS .638 2.586 1.974 4 5 9 21 21 SER .254 .485 .348 4 2 6 22 22 LEU .367 1.040 .780 4 4 8 23 23 GLU .482 1.158 .921 4 5 9 24 24 ILE .483 .553 .519 4 4 8 25 25 PRO .670 .700 .683 4 3 7 26 26 LEU .786 .730 .758 4 4 8 27 27 GLY 1.040 .000 1.040 4 0 4 28 28 PHE .941 1.268 1.160 4 7 11 29 29 ASN .874 1.505 1.230 4 4 8 30 30 GLU .831 1.971 1.570 4 5 9 31 31 TYR .783 1.221 1.095 4 8 12 32 32 PHE .771 1.109 1.000 4 7 11 33 33 PRO .789 .518 .686 4 3 7 34 34 ALA 1.447 2.231 1.634 4 1 5 35 35 PRO 1.290 1.591 1.427 4 3 7 36 36 PHE 1.026 2.949 2.433 4 7 11 37 37 PRO .712 .514 .635 4 3 7 38 38 ILE .782 .805 .794 4 4 8 39 39 THR .689 1.313 1.005 4 3 7 40 40 VAL .392 .916 .669 4 3 7 41 41 ASP .289 1.121 .818 4 4 8 42 42 LEU .253 .662 .501 4 4 8 43 43 LEU .272 .698 .529 4 4 8 44 44 ASP .427 1.532 1.125 4 4 8 45 45 TYR .575 1.604 1.351 4 8 12 46 46 SER 1.653 1.210 1.519 4 2 6 47 47 GLY .575 .000 .575 4 0 4 48 48 ARG .535 2.649 2.137 4 7 11 49 49 SER .329 .754 .511 4 2 6 50 50 TRP .401 .395 .397 4 10 14 51 51 THR .451 .317 .399 4 3 7 52 52 VAL .688 1.233 .960 4 3 7 53 53 ARG .594 2.094 1.708 4 7 11 54 54 MET .357 1.155 .855 4 4 8 55 55 LYS .354 1.221 .940 4 5 9 56 56 LYS .704 .893 .814 4 5 9 57 57 ARG .424 1.843 1.492 4 7 11 58 58 GLY .806 .000 .806 4 0 4 59 59 GLU .886 3.161 2.429 4 5 9 60 60 LYS .606 2.651 2.017 4 5 9 61 61 VAL .303 .679 .500 4 3 7 62 62 PHE .231 1.867 1.496 4 7 11 63 63 LEU .199 .987 .712 4 4 8 64 64 THR .475 .926 .705 4 3 7 65 65 VAL .601 1.023 .809 4 3 7 66 66 GLY .690 .000 .690 4 0 4 67 67 TRP .477 .410 .430 4 10 14 68 68 GLU .439 .786 .655 4 5 9 69 69 ASN .423 1.000 .768 4 4 8 70 70 PHE .380 .965 .803 4 7 11 71 71 VAL .312 .336 .323 4 3 7 72 72 LYS .307 1.516 1.148 4 5 9 73 73 ASP .288 .743 .564 4 4 8 74 74 ASN .269 .820 .610 4 4 8 75 75 ASN .284 1.175 .855 4 4 8 76 76 LEU .262 .793 .590 4 4 8 77 77 GLU .287 2.398 1.798 4 5 9 78 78 ASP .427 1.274 .950 4 4 8 79 79 GLY .332 .000 .332 4 0 4 80 80 LYS .340 1.554 1.180 4 5 9 81 81 TYR .291 .920 .770 4 8 12 82 82 LEU .472 1.052 .815 4 4 8 83 83 GLN .427 .899 .728 4 5 9 84 84 PHE .594 1.311 1.105 4 7 11 85 85 ILE .495 .617 .559 4 4 8 86 86 TYR .385 1.373 1.143 4 8 12 87 87 ASP .444 1.305 .974 4 4 8 88 88 ARG 1.373 2.828 2.403 4 7 11 89 89 ASP .865 1.166 1.027 4 4 8 90 90 ARG .560 1.446 1.202 4 7 11 91 91 THR .479 .626 .547 4 3 7 92 92 PHE .275 .777 .642 4 7 11 93 93 TYR .228 2.295 1.879 4 8 12 94 94 VAL .282 1.216 .824 4 3 7 95 95 ILE .383 1.255 .928 4 4 8 96 96 ILE .558 1.303 1.002 4 4 8 97 97 TYR .656 1.851 1.558 4 8 12 98 98 GLY 2.367 .000 2.367 4 0 4 99 99 HIS 1.894 4.523 3.703 4 6 10 100 100 ASN 1.088 3.316 2.468 4 4 8 101 101 MET 1.180 3.080 2.332 4 4 8 102 102 CYS 2.311 4.136 3.169 3 2 5 ENDMDL Model RMS deviations: 1.1415 1.9454 1.6100 407 440 847 MODEL 5 1 1 MET 2.807 3.736 3.304 4 4 8 2 2 ALA 2.951 3.992 3.186 4 1 5 3 3 ASP 2.816 5.718 4.507 4 4 8 4 4 THR 2.243 2.929 2.560 4 3 7 5 5 GLY 1.416 .000 1.416 4 0 4 6 6 GLU .704 1.309 1.083 4 5 9 7 7 VAL .612 1.205 .915 4 3 7 8 8 GLN 1.084 1.108 1.097 4 5 9 9 9 PHE .747 1.648 1.390 4 7 11 10 10 MET 1.016 .977 .997 4 4 8 11 11 LYS .551 1.235 .991 4 5 9 12 12 PRO .525 1.066 .803 4 3 7 13 13 PHE .649 2.230 1.821 4 7 11 14 14 ILE .222 .762 .561 4 4 8 15 15 SER .530 .697 .591 4 2 6 16 16 GLU .709 1.451 1.180 4 5 9 17 17 LYS .365 1.070 .834 4 5 9 18 18 SER .361 .656 .480 4 2 6 19 19 SER .449 .744 .565 4 2 6 20 20 LYS .865 1.433 1.214 4 5 9 21 21 SER .416 .427 .419 4 2 6 22 22 LEU .357 .930 .704 4 4 8 23 23 GLU .329 1.728 1.307 4 5 9 24 24 ILE .239 .892 .653 4 4 8 25 25 PRO .411 .560 .481 4 3 7 26 26 LEU .233 .340 .291 4 4 8 27 27 GLY .467 .000 .467 4 0 4 28 28 PHE .675 1.123 .984 4 7 11 29 29 ASN .687 1.318 1.051 4 4 8 30 30 GLU .880 2.435 1.908 4 5 9 31 31 TYR .824 1.547 1.349 4 8 12 32 32 PHE .823 1.052 .975 4 7 11 33 33 PRO .846 .776 .817 4 3 7 34 34 ALA 1.440 1.971 1.561 4 1 5 35 35 PRO 1.430 1.600 1.505 4 3 7 36 36 PHE .869 2.291 1.901 4 7 11 37 37 PRO .689 .749 .716 4 3 7 38 38 ILE .603 .816 .717 4 4 8 39 39 THR .421 .823 .626 4 3 7 40 40 VAL .365 1.208 .837 4 3 7 41 41 ASP .462 1.471 1.090 4 4 8 42 42 LEU .350 .540 .455 4 4 8 43 43 LEU .790 .936 .866 4 4 8 44 44 ASP .872 1.524 1.241 4 4 8 45 45 TYR 1.077 2.383 2.042 4 8 12 46 46 SER 1.411 1.724 1.522 4 2 6 47 47 GLY .785 .000 .785 4 0 4 48 48 ARG .387 1.371 1.118 4 7 11 49 49 SER .504 .624 .547 4 2 6 50 50 TRP .590 .589 .589 4 10 14 51 51 THR .619 .591 .607 4 3 7 52 52 VAL .713 .896 .797 4 3 7 53 53 ARG .833 1.323 1.169 4 7 11 54 54 MET .484 1.099 .849 4 4 8 55 55 LYS .572 .966 .815 4 5 9 56 56 LYS .668 .737 .707 4 5 9 57 57 ARG .572 1.250 1.055 4 7 11 58 58 GLY .349 .000 .349 4 0 4 59 59 GLU .324 1.358 1.035 4 5 9 60 60 LYS .261 1.323 1.002 4 5 9 61 61 VAL .319 .676 .504 4 3 7 62 62 PHE .478 1.365 1.126 4 7 11 63 63 LEU .609 1.247 .982 4 4 8 64 64 THR .631 .859 .737 4 3 7 65 65 VAL .799 1.452 1.126 4 3 7 66 66 GLY .661 .000 .661 4 0 4 67 67 TRP .593 .362 .440 4 10 14 68 68 GLU .574 1.209 .979 4 5 9 69 69 ASN .552 1.104 .873 4 4 8 70 70 PHE .520 .994 .853 4 7 11 71 71 VAL .517 .562 .537 4 3 7 72 72 LYS .517 1.987 1.521 4 5 9 73 73 ASP .497 .763 .644 4 4 8 74 74 ASN .416 .756 .610 4 4 8 75 75 ASN .410 .678 .560 4 4 8 76 76 LEU .350 .947 .714 4 4 8 77 77 GLU .411 2.188 1.654 4 5 9 78 78 ASP .388 1.472 1.076 4 4 8 79 79 GLY .356 .000 .356 4 0 4 80 80 LYS .499 1.388 1.087 4 5 9 81 81 TYR .396 .813 .702 4 8 12 82 82 LEU .359 2.117 1.518 4 4 8 83 83 GLN .336 1.844 1.393 4 5 9 84 84 PHE .329 1.041 .854 4 7 11 85 85 ILE .623 .919 .785 4 4 8 86 86 TYR .618 1.995 1.667 4 8 12 87 87 ASP 1.037 2.335 1.806 4 4 8 88 88 ARG 1.330 1.330 1.330 4 7 11 89 89 ASP 1.053 1.591 1.349 4 4 8 90 90 ARG .705 1.151 1.012 4 7 11 91 91 THR .608 1.394 1.022 4 3 7 92 92 PHE .415 1.251 1.029 4 7 11 93 93 TYR .431 1.425 1.190 4 8 12 94 94 VAL .430 1.307 .915 4 3 7 95 95 ILE .402 2.410 1.727 4 4 8 96 96 ILE .414 .794 .633 4 4 8 97 97 TYR .534 1.316 1.118 4 8 12 98 98 GLY 1.178 .000 1.178 4 0 4 99 99 HIS 1.754 2.945 2.537 4 6 10 100 100 ASN 4.113 5.910 5.091 4 4 8 101 101 MET 4.722 2.143 3.667 4 4 8 102 102 CYS 5.818 5.891 5.847 3 2 5 ENDMDL Model RMS deviations: 1.1733 1.6982 1.4696 407 440 847 MODEL 6 1 1 MET 5.099 5.167 5.133 4 4 8 2 2 ALA 3.677 4.948 3.964 4 1 5 3 3 ASP 2.890 2.901 2.896 4 4 8 4 4 THR 2.234 3.963 3.096 4 3 7 5 5 GLY 1.112 .000 1.112 4 0 4 6 6 GLU 1.329 1.556 1.459 4 5 9 7 7 VAL 1.059 1.203 1.123 4 3 7 8 8 GLN .816 1.689 1.372 4 5 9 9 9 PHE .721 2.042 1.686 4 7 11 10 10 MET .637 1.869 1.397 4 4 8 11 11 LYS .625 2.610 1.989 4 5 9 12 12 PRO .629 .825 .720 4 3 7 13 13 PHE .480 1.644 1.343 4 7 11 14 14 ILE .404 .573 .496 4 4 8 15 15 SER .206 .408 .290 4 2 6 16 16 GLU .567 1.244 1.001 4 5 9 17 17 LYS .683 2.711 2.072 4 5 9 18 18 SER .330 .440 .370 4 2 6 19 19 SER .261 .831 .525 4 2 6 20 20 LYS .422 1.899 1.443 4 5 9 21 21 SER .602 .901 .716 4 2 6 22 22 LEU .478 1.025 .800 4 4 8 23 23 GLU .703 1.435 1.168 4 5 9 24 24 ILE .702 .578 .643 4 4 8 25 25 PRO .933 1.097 1.007 4 3 7 26 26 LEU .837 .833 .835 4 4 8 27 27 GLY .860 .000 .860 4 0 4 28 28 PHE .889 1.194 1.093 4 7 11 29 29 ASN .855 .858 .857 4 4 8 30 30 GLU .920 .988 .958 4 5 9 31 31 TYR 1.021 1.087 1.065 4 8 12 32 32 PHE .948 1.607 1.404 4 7 11 33 33 PRO 1.664 1.954 1.794 4 3 7 34 34 ALA 2.571 3.818 2.864 4 1 5 35 35 PRO 1.990 2.366 2.159 4 3 7 36 36 PHE .613 2.167 1.768 4 7 11 37 37 PRO .223 .193 .210 4 3 7 38 38 ILE .275 .398 .342 4 4 8 39 39 THR .417 1.324 .922 4 3 7 40 40 VAL .365 .760 .569 4 3 7 41 41 ASP .378 1.247 .921 4 4 8 42 42 LEU .252 1.071 .778 4 4 8 43 43 LEU .488 1.313 .990 4 4 8 44 44 ASP 1.056 1.100 1.078 4 4 8 45 45 TYR 1.330 4.190 3.506 4 8 12 46 46 SER 1.555 1.387 1.501 4 2 6 47 47 GLY 1.104 .000 1.104 4 0 4 48 48 ARG .966 3.530 2.876 4 7 11 49 49 SER .928 1.109 .992 4 2 6 50 50 TRP .693 .562 .603 4 10 14 51 51 THR .610 .813 .704 4 3 7 52 52 VAL .391 1.135 .799 4 3 7 53 53 ARG .346 1.379 1.120 4 7 11 54 54 MET .142 .921 .659 4 4 8 55 55 LYS .222 .993 .755 4 5 9 56 56 LYS .409 .712 .596 4 5 9 57 57 ARG .303 1.264 1.025 4 7 11 58 58 GLY .519 .000 .519 4 0 4 59 59 GLU .436 1.778 1.357 4 5 9 60 60 LYS .439 3.064 2.303 4 5 9 61 61 VAL .446 .658 .547 4 3 7 62 62 PHE .322 1.762 1.419 4 7 11 63 63 LEU .278 1.242 .900 4 4 8 64 64 THR .377 .816 .605 4 3 7 65 65 VAL .562 1.341 .975 4 3 7 66 66 GLY .595 .000 .595 4 0 4 67 67 TRP .507 .531 .524 4 10 14 68 68 GLU .489 1.223 .968 4 5 9 69 69 ASN .539 .776 .668 4 4 8 70 70 PHE .536 1.054 .901 4 7 11 71 71 VAL .489 .416 .459 4 3 7 72 72 LYS .526 1.585 1.232 4 5 9 73 73 ASP .580 1.210 .949 4 4 8 74 74 ASN .547 1.004 .809 4 4 8 75 75 ASN .519 .794 .671 4 4 8 76 76 LEU .426 .836 .664 4 4 8 77 77 GLU .300 1.402 1.064 4 5 9 78 78 ASP .275 1.756 1.256 4 4 8 79 79 GLY .431 .000 .431 4 0 4 80 80 LYS .504 .694 .617 4 5 9 81 81 TYR .599 1.246 1.075 4 8 12 82 82 LEU .682 1.103 .917 4 4 8 83 83 GLN .429 1.133 .891 4 5 9 84 84 PHE .347 3.966 3.171 4 7 11 85 85 ILE .299 1.268 .921 4 4 8 86 86 TYR .479 2.009 1.663 4 8 12 87 87 ASP 1.213 1.460 1.342 4 4 8 88 88 ARG .425 1.438 1.176 4 7 11 89 89 ASP .375 .858 .662 4 4 8 90 90 ARG .466 1.541 1.261 4 7 11 91 91 THR .503 1.848 1.268 4 3 7 92 92 PHE .497 1.040 .882 4 7 11 93 93 TYR .528 2.049 1.700 4 8 12 94 94 VAL .598 1.435 1.042 4 3 7 95 95 ILE .851 1.399 1.158 4 4 8 96 96 ILE .913 1.067 .993 4 4 8 97 97 TYR .777 1.091 .997 4 8 12 98 98 GLY 1.326 .000 1.326 4 0 4 99 99 HIS 2.131 5.337 4.348 4 6 10 100 100 ASN 3.354 5.124 4.330 4 4 8 101 101 MET 4.340 3.834 4.095 4 4 8 102 102 CYS 6.424 7.554 6.898 3 2 5 ENDMDL Model RMS deviations: 1.3029 2.0093 1.7068 407 440 847 MODEL 7 1 1 MET 5.428 8.320 7.025 4 4 8 2 2 ALA 3.675 3.385 3.618 4 1 5 3 3 ASP 1.818 4.346 3.331 4 4 8 4 4 THR 1.784 3.097 2.435 4 3 7 5 5 GLY 1.146 .000 1.146 4 0 4 6 6 GLU 1.214 2.147 1.793 4 5 9 7 7 VAL 1.047 1.119 1.079 4 3 7 8 8 GLN .642 1.723 1.354 4 5 9 9 9 PHE .546 1.354 1.129 4 7 11 10 10 MET .626 1.745 1.311 4 4 8 11 11 LYS .778 1.073 .953 4 5 9 12 12 PRO .976 1.092 1.027 4 3 7 13 13 PHE .870 2.124 1.774 4 7 11 14 14 ILE .692 .556 .628 4 4 8 15 15 SER .747 .783 .760 4 2 6 16 16 GLU .492 1.396 1.091 4 5 9 17 17 LYS .936 1.758 1.451 4 5 9 18 18 SER 1.030 2.004 1.430 4 2 6 19 19 SER 1.076 .806 .994 4 2 6 20 20 LYS 1.140 5.619 4.257 4 5 9 21 21 SER 1.308 2.200 1.660 4 2 6 22 22 LEU 1.232 2.258 1.819 4 4 8 23 23 GLU .764 1.634 1.320 4 5 9 24 24 ILE .452 .699 .589 4 4 8 25 25 PRO .511 .586 .544 4 3 7 26 26 LEU .437 .474 .456 4 4 8 27 27 GLY .369 .000 .369 4 0 4 28 28 PHE .388 .839 .709 4 7 11 29 29 ASN .249 .767 .570 4 4 8 30 30 GLU .381 1.264 .976 4 5 9 31 31 TYR .302 1.204 .998 4 8 12 32 32 PHE .292 .835 .689 4 7 11 33 33 PRO .279 .217 .254 4 3 7 34 34 ALA .810 1.289 .926 4 1 5 35 35 PRO 1.428 1.904 1.649 4 3 7 36 36 PHE .917 2.394 1.988 4 7 11 37 37 PRO .639 .514 .588 4 3 7 38 38 ILE .691 .423 .573 4 4 8 39 39 THR .502 .863 .681 4 3 7 40 40 VAL .378 .894 .652 4 3 7 41 41 ASP .433 .781 .631 4 4 8 42 42 LEU .469 .583 .529 4 4 8 43 43 LEU .652 .734 .694 4 4 8 44 44 ASP 1.031 1.609 1.351 4 4 8 45 45 TYR 1.735 1.553 1.616 4 8 12 46 46 SER 1.777 2.199 1.928 4 2 6 47 47 GLY 1.025 .000 1.025 4 0 4 48 48 ARG .817 2.197 1.821 4 7 11 49 49 SER .401 .550 .456 4 2 6 50 50 TRP .280 .328 .315 4 10 14 51 51 THR .194 .231 .210 4 3 7 52 52 VAL .458 .932 .702 4 3 7 53 53 ARG .420 2.515 2.022 4 7 11 54 54 MET .268 .824 .612 4 4 8 55 55 LYS .720 1.883 1.483 4 5 9 56 56 LYS .721 .754 .740 4 5 9 57 57 ARG .797 2.009 1.673 4 7 11 58 58 GLY .741 .000 .741 4 0 4 59 59 GLU .388 2.427 1.828 4 5 9 60 60 LYS .240 1.280 .967 4 5 9 61 61 VAL .267 1.423 .954 4 3 7 62 62 PHE .419 1.401 1.146 4 7 11 63 63 LEU .860 .775 .819 4 4 8 64 64 THR 1.034 2.345 1.723 4 3 7 65 65 VAL 1.073 2.085 1.588 4 3 7 66 66 GLY .479 .000 .479 4 0 4 67 67 TRP .365 .321 .334 4 10 14 68 68 GLU .581 2.188 1.676 4 5 9 69 69 ASN .451 1.008 .781 4 4 8 70 70 PHE .496 1.076 .909 4 7 11 71 71 VAL .697 .840 .761 4 3 7 72 72 LYS .737 3.732 2.825 4 5 9 73 73 ASP .555 1.244 .963 4 4 8 74 74 ASN .594 1.730 1.293 4 4 8 75 75 ASN .658 .811 .738 4 4 8 76 76 LEU .742 .902 .826 4 4 8 77 77 GLU .590 1.543 1.215 4 5 9 78 78 ASP .664 1.798 1.355 4 4 8 79 79 GLY .730 .000 .730 4 0 4 80 80 LYS .767 1.962 1.550 4 5 9 81 81 TYR .559 1.300 1.109 4 8 12 82 82 LEU .486 1.212 .923 4 4 8 83 83 GLN .229 1.410 1.062 4 5 9 84 84 PHE .263 1.361 1.097 4 7 11 85 85 ILE .389 2.293 1.644 4 4 8 86 86 TYR .409 1.299 1.087 4 8 12 87 87 ASP .893 1.812 1.428 4 4 8 88 88 ARG .707 1.906 1.579 4 7 11 89 89 ASP .296 1.085 .795 4 4 8 90 90 ARG .592 1.970 1.612 4 7 11 91 91 THR .502 .536 .517 4 3 7 92 92 PHE .500 1.316 1.092 4 7 11 93 93 TYR .574 2.599 2.148 4 8 12 94 94 VAL .684 .968 .818 4 3 7 95 95 ILE .568 .837 .715 4 4 8 96 96 ILE .596 1.694 1.270 4 4 8 97 97 TYR .891 1.006 .969 4 8 12 98 98 GLY 1.658 .000 1.658 4 0 4 99 99 HIS 2.423 5.123 4.254 4 6 10 100 100 ASN 2.661 4.880 3.931 4 4 8 101 101 MET 2.824 3.529 3.196 4 4 8 102 102 CYS 3.297 4.852 3.992 3 2 5 ENDMDL Model RMS deviations: 1.1376 2.0605 1.6815 407 440 847 MODEL 8 1 1 MET 11.781 15.259 13.631 4 4 8 2 2 ALA 8.760 8.640 8.736 4 1 5 3 3 ASP 7.603 8.954 8.306 4 4 8 4 4 THR 3.741 4.261 3.973 4 3 7 5 5 GLY .907 .000 .907 4 0 4 6 6 GLU 1.681 2.505 2.177 4 5 9 7 7 VAL 1.113 1.472 1.279 4 3 7 8 8 GLN 1.409 1.614 1.526 4 5 9 9 9 PHE 1.064 4.223 3.429 4 7 11 10 10 MET 1.231 1.777 1.529 4 4 8 11 11 LYS 1.088 2.129 1.745 4 5 9 12 12 PRO 1.272 1.570 1.407 4 3 7 13 13 PHE 1.009 4.329 3.506 4 7 11 14 14 ILE 1.049 1.076 1.063 4 4 8 15 15 SER 1.088 1.099 1.092 4 2 6 16 16 GLU .996 1.226 1.129 4 5 9 17 17 LYS .737 1.605 1.293 4 5 9 18 18 SER .816 .765 .799 4 2 6 19 19 SER .913 1.045 .959 4 2 6 20 20 LYS 1.032 3.385 2.615 4 5 9 21 21 SER .631 .939 .748 4 2 6 22 22 LEU .447 1.208 .910 4 4 8 23 23 GLU .886 2.199 1.742 4 5 9 24 24 ILE 1.230 1.191 1.211 4 4 8 25 25 PRO 1.506 1.168 1.372 4 3 7 26 26 LEU 2.140 2.341 2.243 4 4 8 27 27 GLY 2.246 .000 2.246 4 0 4 28 28 PHE 1.978 2.299 2.188 4 7 11 29 29 ASN 2.244 2.410 2.329 4 4 8 30 30 GLU 2.308 2.480 2.405 4 5 9 31 31 TYR 2.250 2.226 2.234 4 8 12 32 32 PHE 2.803 4.058 3.652 4 7 11 33 33 PRO 1.946 4.007 3.008 4 3 7 34 34 ALA 2.491 4.360 2.961 4 1 5 35 35 PRO 2.905 2.579 2.770 4 3 7 36 36 PHE 2.063 4.367 3.699 4 7 11 37 37 PRO 1.595 1.781 1.677 4 3 7 38 38 ILE 1.016 1.341 1.190 4 4 8 39 39 THR .923 1.156 1.029 4 3 7 40 40 VAL .782 1.517 1.156 4 3 7 41 41 ASP .743 1.183 .988 4 4 8 42 42 LEU .772 1.598 1.255 4 4 8 43 43 LEU .562 1.378 1.052 4 4 8 44 44 ASP .324 1.447 1.048 4 4 8 45 45 TYR .592 2.750 2.271 4 8 12 46 46 SER 1.050 1.301 1.140 4 2 6 47 47 GLY .848 .000 .848 4 0 4 48 48 ARG .775 1.728 1.456 4 7 11 49 49 SER .671 .777 .708 4 2 6 50 50 TRP .627 .448 .505 4 10 14 51 51 THR .750 .805 .774 4 3 7 52 52 VAL .774 1.741 1.281 4 3 7 53 53 ARG .346 1.096 .899 4 7 11 54 54 MET 1.030 1.724 1.420 4 4 8 55 55 LYS 1.424 2.246 1.925 4 5 9 56 56 LYS 1.877 2.106 2.007 4 5 9 57 57 ARG 1.767 3.137 2.720 4 7 11 58 58 GLY 1.847 .000 1.847 4 0 4 59 59 GLU 1.732 2.153 1.977 4 5 9 60 60 LYS 1.579 2.742 2.299 4 5 9 61 61 VAL 1.310 1.997 1.640 4 3 7 62 62 PHE 1.010 1.745 1.520 4 7 11 63 63 LEU .805 1.221 1.034 4 4 8 64 64 THR .601 1.156 .883 4 3 7 65 65 VAL .432 1.251 .882 4 3 7 66 66 GLY .605 .000 .605 4 0 4 67 67 TRP .563 .829 .762 4 10 14 68 68 GLU .731 1.430 1.172 4 5 9 69 69 ASN .651 .887 .778 4 4 8 70 70 PHE .479 1.139 .953 4 7 11 71 71 VAL .647 .727 .682 4 3 7 72 72 LYS .776 1.456 1.202 4 5 9 73 73 ASP .578 .748 .668 4 4 8 74 74 ASN .606 1.089 .881 4 4 8 75 75 ASN .849 1.271 1.081 4 4 8 76 76 LEU .864 .938 .902 4 4 8 77 77 GLU 1.051 1.486 1.311 4 5 9 78 78 ASP 1.271 1.321 1.296 4 4 8 79 79 GLY 1.304 .000 1.304 4 0 4 80 80 LYS .988 .923 .952 4 5 9 81 81 TYR .937 1.068 1.026 4 8 12 82 82 LEU 1.068 1.276 1.176 4 4 8 83 83 GLN 1.053 1.594 1.380 4 5 9 84 84 PHE 1.013 1.266 1.181 4 7 11 85 85 ILE 1.166 .944 1.061 4 4 8 86 86 TYR 1.483 2.492 2.207 4 8 12 87 87 ASP 2.063 2.520 2.303 4 4 8 88 88 ARG .988 1.698 1.480 4 7 11 89 89 ASP .871 1.277 1.093 4 4 8 90 90 ARG .833 2.321 1.919 4 7 11 91 91 THR .715 1.032 .865 4 3 7 92 92 PHE .739 1.332 1.153 4 7 11 93 93 TYR .672 2.400 1.998 4 8 12 94 94 VAL .455 1.087 .791 4 3 7 95 95 ILE .779 1.648 1.289 4 4 8 96 96 ILE .673 .895 .792 4 4 8 97 97 TYR 1.000 1.989 1.724 4 8 12 98 98 GLY 1.601 .000 1.601 4 0 4 99 99 HIS 2.785 7.479 6.055 4 6 10 100 100 ASN 3.727 4.041 3.887 4 4 8 101 101 MET 5.177 4.820 5.002 4 4 8 102 102 CYS 6.881 8.927 7.764 3 2 5 ENDMDL Model RMS deviations: 2.2627 2.9311 2.6312 407 440 847 MODEL 9 1 1 MET 4.185 5.502 4.888 4 4 8 2 2 ALA 4.781 6.880 5.268 4 1 5 3 3 ASP 2.956 3.502 3.240 4 4 8 4 4 THR 2.565 4.881 3.738 4 3 7 5 5 GLY 1.233 .000 1.233 4 0 4 6 6 GLU 1.108 2.428 1.955 4 5 9 7 7 VAL .988 1.049 1.014 4 3 7 8 8 GLN 1.212 1.511 1.386 4 5 9 9 9 PHE 1.071 1.749 1.537 4 7 11 10 10 MET 1.297 1.455 1.378 4 4 8 11 11 LYS 1.112 1.998 1.663 4 5 9 12 12 PRO .975 1.605 1.283 4 3 7 13 13 PHE 1.355 4.792 3.909 4 7 11 14 14 ILE .757 1.394 1.122 4 4 8 15 15 SER .619 1.561 1.033 4 2 6 16 16 GLU .229 1.049 .797 4 5 9 17 17 LYS .492 1.246 .985 4 5 9 18 18 SER .772 1.746 1.189 4 2 6 19 19 SER .401 1.621 .992 4 2 6 20 20 LYS .550 2.987 2.256 4 5 9 21 21 SER .601 .953 .737 4 2 6 22 22 LEU .282 .902 .668 4 4 8 23 23 GLU .507 1.532 1.191 4 5 9 24 24 ILE .246 .670 .505 4 4 8 25 25 PRO .435 .630 .528 4 3 7 26 26 LEU .442 .383 .414 4 4 8 27 27 GLY .754 .000 .754 4 0 4 28 28 PHE .613 1.374 1.157 4 7 11 29 29 ASN .575 .683 .631 4 4 8 30 30 GLU 1.123 1.633 1.429 4 5 9 31 31 TYR 1.333 1.167 1.225 4 8 12 32 32 PHE 1.264 1.151 1.193 4 7 11 33 33 PRO 1.616 1.703 1.654 4 3 7 34 34 ALA 1.518 1.405 1.496 4 1 5 35 35 PRO 1.627 1.680 1.650 4 3 7 36 36 PHE 1.361 2.844 2.412 4 7 11 37 37 PRO 1.026 .972 1.003 4 3 7 38 38 ILE .907 1.077 .996 4 4 8 39 39 THR .568 .657 .608 4 3 7 40 40 VAL .199 1.197 .798 4 3 7 41 41 ASP .435 .941 .733 4 4 8 42 42 LEU .324 .681 .534 4 4 8 43 43 LEU .580 .473 .529 4 4 8 44 44 ASP .976 1.646 1.353 4 4 8 45 45 TYR 1.261 2.495 2.164 4 8 12 46 46 SER 1.960 1.251 1.756 4 2 6 47 47 GLY .754 .000 .754 4 0 4 48 48 ARG .996 1.739 1.511 4 7 11 49 49 SER .758 .837 .785 4 2 6 50 50 TRP .439 .501 .484 4 10 14 51 51 THR .395 .406 .400 4 3 7 52 52 VAL .360 1.133 .790 4 3 7 53 53 ARG .346 1.170 .956 4 7 11 54 54 MET .413 .993 .760 4 4 8 55 55 LYS .254 1.196 .907 4 5 9 56 56 LYS .594 1.117 .922 4 5 9 57 57 ARG .562 1.285 1.080 4 7 11 58 58 GLY .662 .000 .662 4 0 4 59 59 GLU .424 2.255 1.704 4 5 9 60 60 LYS .215 1.385 1.042 4 5 9 61 61 VAL .222 .636 .449 4 3 7 62 62 PHE .247 1.792 1.438 4 7 11 63 63 LEU .292 .975 .720 4 4 8 64 64 THR .390 .861 .636 4 3 7 65 65 VAL .443 1.414 .984 4 3 7 66 66 GLY .570 .000 .570 4 0 4 67 67 TRP .495 .805 .730 4 10 14 68 68 GLU .406 1.987 1.505 4 5 9 69 69 ASN .470 .936 .741 4 4 8 70 70 PHE .505 1.124 .947 4 7 11 71 71 VAL .413 .373 .396 4 3 7 72 72 LYS .342 2.989 2.240 4 5 9 73 73 ASP .354 .619 .504 4 4 8 74 74 ASN .362 .733 .578 4 4 8 75 75 ASN .416 .593 .512 4 4 8 76 76 LEU .375 .734 .583 4 4 8 77 77 GLU .397 1.384 1.065 4 5 9 78 78 ASP .417 1.593 1.164 4 4 8 79 79 GLY .426 .000 .426 4 0 4 80 80 LYS .568 1.378 1.095 4 5 9 81 81 TYR 1.070 1.553 1.410 4 8 12 82 82 LEU 1.522 2.400 2.010 4 4 8 83 83 GLN 1.369 2.984 2.404 4 5 9 84 84 PHE 1.082 .915 .979 4 7 11 85 85 ILE 1.020 1.652 1.373 4 4 8 86 86 TYR .778 1.239 1.107 4 8 12 87 87 ASP .731 2.438 1.800 4 4 8 88 88 ARG 1.355 2.249 1.971 4 7 11 89 89 ASP 1.112 1.297 1.208 4 4 8 90 90 ARG .708 3.535 2.852 4 7 11 91 91 THR .924 1.654 1.289 4 3 7 92 92 PHE .847 1.337 1.183 4 7 11 93 93 TYR .922 2.203 1.876 4 8 12 94 94 VAL .847 1.863 1.378 4 3 7 95 95 ILE .674 1.202 .974 4 4 8 96 96 ILE .751 1.760 1.353 4 4 8 97 97 TYR .498 1.351 1.140 4 8 12 98 98 GLY 1.128 .000 1.128 4 0 4 99 99 HIS 1.983 2.188 2.108 4 6 10 100 100 ASN 3.312 4.781 4.113 4 4 8 101 101 MET 4.394 4.941 4.676 4 4 8 102 102 CYS 5.997 7.577 6.674 3 2 5 ENDMDL Model RMS deviations: 1.3398 2.0363 1.7368 407 440 847 MODEL 10 1 1 MET 6.121 3.466 4.974 4 4 8 2 2 ALA 4.983 6.851 5.409 4 1 5 3 3 ASP 3.791 4.416 4.115 4 4 8 4 4 THR 2.941 4.375 3.626 4 3 7 5 5 GLY 1.610 .000 1.610 4 0 4 6 6 GLU 2.070 3.027 2.645 4 5 9 7 7 VAL 1.572 1.734 1.643 4 3 7 8 8 GLN 1.225 1.089 1.151 4 5 9 9 9 PHE .877 1.086 1.015 4 7 11 10 10 MET .779 2.121 1.598 4 4 8 11 11 LYS .537 2.395 1.821 4 5 9 12 12 PRO .878 1.301 1.080 4 3 7 13 13 PHE .731 4.908 3.940 4 7 11 14 14 ILE .782 1.083 .945 4 4 8 15 15 SER .704 .585 .667 4 2 6 16 16 GLU .545 1.319 1.048 4 5 9 17 17 LYS .323 2.723 2.041 4 5 9 18 18 SER .481 .542 .502 4 2 6 19 19 SER .604 .872 .705 4 2 6 20 20 LYS .751 2.895 2.215 4 5 9 21 21 SER .409 .943 .639 4 2 6 22 22 LEU .488 1.210 .922 4 4 8 23 23 GLU .620 2.445 1.868 4 5 9 24 24 ILE .633 .435 .543 4 4 8 25 25 PRO .838 .971 .898 4 3 7 26 26 LEU 1.038 1.169 1.105 4 4 8 27 27 GLY .952 .000 .952 4 0 4 28 28 PHE .473 1.588 1.299 4 7 11 29 29 ASN .836 .904 .871 4 4 8 30 30 GLU 1.170 3.161 2.481 4 5 9 31 31 TYR .750 1.049 .960 4 8 12 32 32 PHE .826 1.066 .986 4 7 11 33 33 PRO 1.366 1.477 1.415 4 3 7 34 34 ALA 2.198 3.725 2.577 4 1 5 35 35 PRO 1.956 2.862 2.387 4 3 7 36 36 PHE .867 3.283 2.671 4 7 11 37 37 PRO .710 1.189 .945 4 3 7 38 38 ILE .515 .945 .761 4 4 8 39 39 THR .400 .490 .441 4 3 7 40 40 VAL .392 1.244 .867 4 3 7 41 41 ASP .405 1.305 .966 4 4 8 42 42 LEU .527 1.602 1.192 4 4 8 43 43 LEU .591 1.784 1.329 4 4 8 44 44 ASP .455 1.298 .973 4 4 8 45 45 TYR .622 2.645 2.189 4 8 12 46 46 SER 1.127 1.470 1.251 4 2 6 47 47 GLY .465 .000 .465 4 0 4 48 48 ARG .518 2.514 2.030 4 7 11 49 49 SER .536 .459 .512 4 2 6 50 50 TRP .565 .629 .611 4 10 14 51 51 THR .572 .512 .547 4 3 7 52 52 VAL .305 1.244 .847 4 3 7 53 53 ARG .319 .786 .656 4 7 11 54 54 MET .182 1.895 1.346 4 4 8 55 55 LYS .273 1.940 1.458 4 5 9 56 56 LYS .387 1.000 .788 4 5 9 57 57 ARG .879 4.289 3.462 4 7 11 58 58 GLY .907 .000 .907 4 0 4 59 59 GLU 1.206 4.019 3.102 4 5 9 60 60 LYS .527 1.578 1.228 4 5 9 61 61 VAL .393 1.614 1.097 4 3 7 62 62 PHE .245 1.539 1.236 4 7 11 63 63 LEU .210 .965 .698 4 4 8 64 64 THR .344 .577 .459 4 3 7 65 65 VAL .353 1.294 .888 4 3 7 66 66 GLY .504 .000 .504 4 0 4 67 67 TRP .609 .692 .669 4 10 14 68 68 GLU .833 1.197 1.051 4 5 9 69 69 ASN .571 .749 .666 4 4 8 70 70 PHE .529 1.035 .885 4 7 11 71 71 VAL .688 .975 .823 4 3 7 72 72 LYS .673 1.147 .966 4 5 9 73 73 ASP .688 .826 .760 4 4 8 74 74 ASN .711 2.739 2.001 4 4 8 75 75 ASN .769 1.016 .901 4 4 8 76 76 LEU .868 1.798 1.412 4 4 8 77 77 GLU .894 1.824 1.484 4 5 9 78 78 ASP .942 1.262 1.114 4 4 8 79 79 GLY .784 .000 .784 4 0 4 80 80 LYS .455 1.552 1.196 4 5 9 81 81 TYR .327 1.805 1.486 4 8 12 82 82 LEU .577 1.667 1.247 4 4 8 83 83 GLN .534 1.027 .844 4 5 9 84 84 PHE .772 1.211 1.072 4 7 11 85 85 ILE 1.117 1.202 1.161 4 4 8 86 86 TYR 1.275 1.251 1.259 4 8 12 87 87 ASP 1.397 2.790 2.206 4 4 8 88 88 ARG 2.210 2.435 2.356 4 7 11 89 89 ASP 1.762 1.673 1.718 4 4 8 90 90 ARG 1.412 1.490 1.462 4 7 11 91 91 THR .914 1.032 .966 4 3 7 92 92 PHE .872 1.139 1.050 4 7 11 93 93 TYR .764 3.209 2.657 4 8 12 94 94 VAL .580 1.484 1.066 4 3 7 95 95 ILE .627 1.066 .875 4 4 8 96 96 ILE .797 1.050 .932 4 4 8 97 97 TYR .836 1.103 1.022 4 8 12 98 98 GLY 1.076 .000 1.076 4 0 4 99 99 HIS 1.499 2.763 2.341 4 6 10 100 100 ASN 2.779 5.374 4.278 4 4 8 101 101 MET 5.085 5.919 5.518 4 4 8 102 102 CYS 5.680 5.209 5.496 3 2 5 ENDMDL Model RMS deviations: 1.4677 2.1817 1.8729 407 440 847 MODEL 11 1 1 MET 2.945 4.322 3.698 4 4 8 2 2 ALA 2.005 2.323 2.073 4 1 5 3 3 ASP 1.959 3.841 3.049 4 4 8 4 4 THR 2.769 3.778 3.240 4 3 7 5 5 GLY 2.247 .000 2.247 4 0 4 6 6 GLU 2.303 3.976 3.337 4 5 9 7 7 VAL 1.504 1.454 1.483 4 3 7 8 8 GLN .468 1.296 1.015 4 5 9 9 9 PHE .294 1.306 1.057 4 7 11 10 10 MET .771 1.185 1.000 4 4 8 11 11 LYS .767 2.230 1.739 4 5 9 12 12 PRO 1.124 2.202 1.673 4 3 7 13 13 PHE .496 3.792 3.039 4 7 11 14 14 ILE .341 1.142 .843 4 4 8 15 15 SER .210 1.563 .918 4 2 6 16 16 GLU .373 .904 .718 4 5 9 17 17 LYS .255 .754 .587 4 5 9 18 18 SER .442 1.066 .713 4 2 6 19 19 SER .460 .643 .528 4 2 6 20 20 LYS 1.113 2.548 2.039 4 5 9 21 21 SER .605 .816 .683 4 2 6 22 22 LEU .692 1.318 1.053 4 4 8 23 23 GLU .537 1.801 1.389 4 5 9 24 24 ILE .456 .808 .656 4 4 8 25 25 PRO .499 .746 .617 4 3 7 26 26 LEU .229 .300 .267 4 4 8 27 27 GLY .358 .000 .358 4 0 4 28 28 PHE .585 .925 .818 4 7 11 29 29 ASN .660 .782 .723 4 4 8 30 30 GLU .563 1.575 1.232 4 5 9 31 31 TYR .759 4.799 3.943 4 8 12 32 32 PHE .924 1.052 1.007 4 7 11 33 33 PRO 1.596 1.488 1.551 4 3 7 34 34 ALA 1.976 2.781 2.161 4 1 5 35 35 PRO 1.052 1.247 1.140 4 3 7 36 36 PHE .879 2.434 2.013 4 7 11 37 37 PRO .387 .656 .520 4 3 7 38 38 ILE .328 .664 .524 4 4 8 39 39 THR .403 1.714 1.163 4 3 7 40 40 VAL .372 .852 .624 4 3 7 41 41 ASP .392 1.189 .885 4 4 8 42 42 LEU .455 1.616 1.187 4 4 8 43 43 LEU .620 .820 .727 4 4 8 44 44 ASP .469 1.384 1.033 4 4 8 45 45 TYR .300 3.416 2.794 4 8 12 46 46 SER .546 1.057 .756 4 2 6 47 47 GLY .802 .000 .802 4 0 4 48 48 ARG .510 2.193 1.776 4 7 11 49 49 SER .451 .545 .485 4 2 6 50 50 TRP .274 .300 .292 4 10 14 51 51 THR .183 .174 .179 4 3 7 52 52 VAL .392 .992 .714 4 3 7 53 53 ARG .523 1.164 .981 4 7 11 54 54 MET .418 .772 .621 4 4 8 55 55 LYS .529 .922 .772 4 5 9 56 56 LYS .649 .683 .668 4 5 9 57 57 ARG .332 1.328 1.078 4 7 11 58 58 GLY .252 .000 .252 4 0 4 59 59 GLU .157 2.617 1.953 4 5 9 60 60 LYS .431 1.735 1.325 4 5 9 61 61 VAL .357 .601 .477 4 3 7 62 62 PHE .581 1.820 1.493 4 7 11 63 63 LEU .646 .749 .700 4 4 8 64 64 THR .535 .823 .674 4 3 7 65 65 VAL .524 1.331 .957 4 3 7 66 66 GLY .310 .000 .310 4 0 4 67 67 TRP .314 .309 .311 4 10 14 68 68 GLU .293 2.158 1.620 4 5 9 69 69 ASN .167 .714 .518 4 4 8 70 70 PHE .157 1.050 .843 4 7 11 71 71 VAL .151 .270 .211 4 3 7 72 72 LYS .362 1.608 1.222 4 5 9 73 73 ASP .530 .726 .635 4 4 8 74 74 ASN .558 1.170 .916 4 4 8 75 75 ASN .359 .597 .493 4 4 8 76 76 LEU .233 .606 .459 4 4 8 77 77 GLU .262 1.979 1.486 4 5 9 78 78 ASP .246 1.565 1.121 4 4 8 79 79 GLY .460 .000 .460 4 0 4 80 80 LYS .226 .755 .583 4 5 9 81 81 TYR .216 .835 .693 4 8 12 82 82 LEU .385 1.166 .868 4 4 8 83 83 GLN .300 .775 .611 4 5 9 84 84 PHE .176 1.122 .901 4 7 11 85 85 ILE 1.224 1.527 1.384 4 4 8 86 86 TYR 1.241 4.085 3.412 4 8 12 87 87 ASP 2.029 5.216 3.957 4 4 8 88 88 ARG 2.436 8.758 7.139 4 7 11 89 89 ASP 1.746 1.016 1.428 4 4 8 90 90 ARG 1.390 1.801 1.663 4 7 11 91 91 THR .634 1.238 .941 4 3 7 92 92 PHE .632 .884 .801 4 7 11 93 93 TYR .498 3.562 2.922 4 8 12 94 94 VAL .375 .937 .676 4 3 7 95 95 ILE .510 1.692 1.249 4 4 8 96 96 ILE .919 1.012 .967 4 4 8 97 97 TYR .818 2.043 1.733 4 8 12 98 98 GLY 1.761 .000 1.761 4 0 4 99 99 HIS 2.297 6.164 4.991 4 6 10 100 100 ASN 1.351 4.065 3.029 4 4 8 101 101 MET 2.037 1.565 1.816 4 4 8 102 102 CYS 3.274 4.516 3.820 3 2 5 ENDMDL Model RMS deviations: 1.0211 2.3896 1.8621 407 440 847 MODEL 12 1 1 MET 3.962 2.745 3.409 4 4 8 2 2 ALA 3.376 4.793 3.703 4 1 5 3 3 ASP 1.949 3.143 2.615 4 4 8 4 4 THR 2.439 4.537 3.496 4 3 7 5 5 GLY .809 .000 .809 4 0 4 6 6 GLU .848 1.920 1.538 4 5 9 7 7 VAL .627 .916 .765 4 3 7 8 8 GLN .871 1.444 1.223 4 5 9 9 9 PHE .803 3.209 2.605 4 7 11 10 10 MET .777 2.542 1.880 4 4 8 11 11 LYS .825 1.077 .973 4 5 9 12 12 PRO .663 .608 .640 4 3 7 13 13 PHE .725 1.933 1.603 4 7 11 14 14 ILE .511 .564 .538 4 4 8 15 15 SER .352 .532 .420 4 2 6 16 16 GLU .398 1.877 1.424 4 5 9 17 17 LYS .516 2.138 1.631 4 5 9 18 18 SER .399 1.325 .832 4 2 6 19 19 SER .185 .509 .330 4 2 6 20 20 LYS .333 2.136 1.608 4 5 9 21 21 SER .452 .648 .526 4 2 6 22 22 LEU .380 .950 .723 4 4 8 23 23 GLU .328 1.070 .827 4 5 9 24 24 ILE .223 .415 .333 4 4 8 25 25 PRO .317 .500 .406 4 3 7 26 26 LEU .286 .200 .247 4 4 8 27 27 GLY .407 .000 .407 4 0 4 28 28 PHE .764 2.825 2.300 4 7 11 29 29 ASN .766 .498 .646 4 4 8 30 30 GLU .794 1.024 .929 4 5 9 31 31 TYR 1.146 1.750 1.575 4 8 12 32 32 PHE 1.474 1.132 1.267 4 7 11 33 33 PRO 2.364 2.594 2.465 4 3 7 34 34 ALA 3.011 4.100 3.258 4 1 5 35 35 PRO 1.917 2.023 1.963 4 3 7 36 36 PHE .713 2.063 1.701 4 7 11 37 37 PRO .300 .457 .376 4 3 7 38 38 ILE .119 .744 .533 4 4 8 39 39 THR .234 .376 .303 4 3 7 40 40 VAL .335 1.206 .829 4 3 7 41 41 ASP .318 2.331 1.664 4 4 8 42 42 LEU .506 .716 .620 4 4 8 43 43 LEU .604 .655 .630 4 4 8 44 44 ASP .642 1.147 .929 4 4 8 45 45 TYR .574 2.989 2.463 4 8 12 46 46 SER .910 1.083 .971 4 2 6 47 47 GLY .447 .000 .447 4 0 4 48 48 ARG .538 2.221 1.801 4 7 11 49 49 SER .147 .201 .167 4 2 6 50 50 TRP .153 .433 .375 4 10 14 51 51 THR .093 .190 .143 4 3 7 52 52 VAL .199 .701 .483 4 3 7 53 53 ARG .352 1.048 .863 4 7 11 54 54 MET .542 1.566 1.172 4 4 8 55 55 LYS .698 2.033 1.585 4 5 9 56 56 LYS 1.007 1.198 1.117 4 5 9 57 57 ARG 1.251 1.641 1.511 4 7 11 58 58 GLY 1.425 .000 1.425 4 0 4 59 59 GLU 1.262 2.307 1.914 4 5 9 60 60 LYS .793 1.404 1.172 4 5 9 61 61 VAL .592 .693 .637 4 3 7 62 62 PHE .294 3.709 2.964 4 7 11 63 63 LEU .239 .952 .694 4 4 8 64 64 THR .400 .986 .713 4 3 7 65 65 VAL .362 1.247 .861 4 3 7 66 66 GLY .282 .000 .282 4 0 4 67 67 TRP .257 .311 .296 4 10 14 68 68 GLU .330 2.578 1.934 4 5 9 69 69 ASN .360 .961 .725 4 4 8 70 70 PHE .351 .978 .809 4 7 11 71 71 VAL .313 .348 .328 4 3 7 72 72 LYS .362 1.453 1.109 4 5 9 73 73 ASP .393 1.152 .861 4 4 8 74 74 ASN .375 1.160 .862 4 4 8 75 75 ASN .387 .572 .488 4 4 8 76 76 LEU .460 .588 .528 4 4 8 77 77 GLU .557 2.666 2.022 4 5 9 78 78 ASP .567 1.480 1.121 4 4 8 79 79 GLY .571 .000 .571 4 0 4 80 80 LYS .618 1.249 1.018 4 5 9 81 81 TYR .593 1.203 1.040 4 8 12 82 82 LEU .462 1.409 1.048 4 4 8 83 83 GLN .390 1.056 .829 4 5 9 84 84 PHE .454 1.060 .889 4 7 11 85 85 ILE .851 1.261 1.076 4 4 8 86 86 TYR 1.110 1.786 1.593 4 8 12 87 87 ASP 1.618 2.817 2.297 4 4 8 88 88 ARG 1.057 2.166 1.842 4 7 11 89 89 ASP .685 1.221 .990 4 4 8 90 90 ARG 1.015 1.731 1.510 4 7 11 91 91 THR .677 1.697 1.223 4 3 7 92 92 PHE .586 1.198 1.019 4 7 11 93 93 TYR .345 1.510 1.249 4 8 12 94 94 VAL .464 1.230 .878 4 3 7 95 95 ILE .518 .843 .700 4 4 8 96 96 ILE .904 .882 .893 4 4 8 97 97 TYR 1.044 1.520 1.379 4 8 12 98 98 GLY 1.888 .000 1.888 4 0 4 99 99 HIS 2.873 3.712 3.402 4 6 10 100 100 ASN 1.765 4.630 3.504 4 4 8 101 101 MET 3.511 3.862 3.691 4 4 8 102 102 CYS 4.562 5.929 5.152 3 2 5 ENDMDL Model RMS deviations: 1.1605 1.8913 1.5828 407 440 847 MODEL 13 1 1 MET 5.635 8.949 7.478 4 4 8 2 2 ALA 4.151 3.237 3.985 4 1 5 3 3 ASP 3.132 5.489 4.469 4 4 8 4 4 THR 3.457 2.825 3.202 4 3 7 5 5 GLY 3.270 .000 3.270 4 0 4 6 6 GLU 2.698 3.668 3.273 4 5 9 7 7 VAL 1.892 1.643 1.790 4 3 7 8 8 GLN 1.339 1.700 1.550 4 5 9 9 9 PHE .980 1.644 1.439 4 7 11 10 10 MET .860 3.117 2.287 4 4 8 11 11 LYS .744 .992 .890 4 5 9 12 12 PRO .817 .801 .810 4 3 7 13 13 PHE 1.097 2.064 1.774 4 7 11 14 14 ILE 1.043 1.355 1.209 4 4 8 15 15 SER .874 .896 .881 4 2 6 16 16 GLU 1.069 1.190 1.138 4 5 9 17 17 LYS 1.125 2.127 1.754 4 5 9 18 18 SER 1.006 1.079 1.031 4 2 6 19 19 SER .897 1.099 .969 4 2 6 20 20 LYS .656 2.735 2.085 4 5 9 21 21 SER 1.031 1.185 1.084 4 2 6 22 22 LEU .667 1.204 .973 4 4 8 23 23 GLU .580 3.244 2.449 4 5 9 24 24 ILE .501 .886 .720 4 4 8 25 25 PRO .454 .445 .450 4 3 7 26 26 LEU .278 .408 .349 4 4 8 27 27 GLY .260 .000 .260 4 0 4 28 28 PHE .420 1.185 .978 4 7 11 29 29 ASN .478 .806 .663 4 4 8 30 30 GLU .853 1.555 1.291 4 5 9 31 31 TYR .963 2.897 2.430 4 8 12 32 32 PHE .795 1.247 1.104 4 7 11 33 33 PRO .775 .845 .805 4 3 7 34 34 ALA 1.386 2.041 1.539 4 1 5 35 35 PRO 1.751 2.003 1.863 4 3 7 36 36 PHE 1.159 3.856 3.154 4 7 11 37 37 PRO 1.020 1.438 1.217 4 3 7 38 38 ILE .648 1.105 .905 4 4 8 39 39 THR .296 .339 .315 4 3 7 40 40 VAL .321 1.281 .873 4 3 7 41 41 ASP .358 .911 .692 4 4 8 42 42 LEU .474 .566 .522 4 4 8 43 43 LEU .491 .547 .520 4 4 8 44 44 ASP .373 1.466 1.069 4 4 8 45 45 TYR .546 3.646 2.994 4 8 12 46 46 SER 1.212 1.534 1.328 4 2 6 47 47 GLY .774 .000 .774 4 0 4 48 48 ARG .492 3.356 2.694 4 7 11 49 49 SER .295 .406 .336 4 2 6 50 50 TRP .252 .515 .455 4 10 14 51 51 THR .216 .109 .178 4 3 7 52 52 VAL .227 .891 .608 4 3 7 53 53 ARG .208 1.277 1.027 4 7 11 54 54 MET .408 1.338 .989 4 4 8 55 55 LYS .532 1.875 1.442 4 5 9 56 56 LYS .508 .498 .502 4 5 9 57 57 ARG .653 2.772 2.246 4 7 11 58 58 GLY .362 .000 .362 4 0 4 59 59 GLU .562 1.245 1.001 4 5 9 60 60 LYS .276 1.629 1.228 4 5 9 61 61 VAL .291 .477 .382 4 3 7 62 62 PHE .338 1.712 1.381 4 7 11 63 63 LEU .465 .641 .560 4 4 8 64 64 THR .546 1.067 .811 4 3 7 65 65 VAL .412 1.105 .788 4 3 7 66 66 GLY .383 .000 .383 4 0 4 67 67 TRP .369 .545 .501 4 10 14 68 68 GLU .449 1.191 .937 4 5 9 69 69 ASN .460 1.006 .782 4 4 8 70 70 PHE .450 .956 .810 4 7 11 71 71 VAL .503 .522 .511 4 3 7 72 72 LYS .556 2.304 1.757 4 5 9 73 73 ASP .569 .754 .668 4 4 8 74 74 ASN .491 1.111 .859 4 4 8 75 75 ASN .454 .706 .594 4 4 8 76 76 LEU .398 1.117 .839 4 4 8 77 77 GLU .672 2.165 1.674 4 5 9 78 78 ASP .914 1.487 1.234 4 4 8 79 79 GLY .948 .000 .948 4 0 4 80 80 LYS .894 1.521 1.281 4 5 9 81 81 TYR .790 2.009 1.703 4 8 12 82 82 LEU .845 1.251 1.068 4 4 8 83 83 GLN .840 1.264 1.096 4 5 9 84 84 PHE .885 1.502 1.312 4 7 11 85 85 ILE 2.365 2.252 2.309 4 4 8 86 86 TYR 2.485 5.458 4.681 4 8 12 87 87 ASP 3.496 7.618 5.927 4 4 8 88 88 ARG 2.967 7.966 6.602 4 7 11 89 89 ASP 1.727 3.077 2.495 4 4 8 90 90 ARG .943 2.102 1.770 4 7 11 91 91 THR .263 .567 .421 4 3 7 92 92 PHE .264 1.126 .912 4 7 11 93 93 TYR .373 2.400 1.972 4 8 12 94 94 VAL .335 .797 .580 4 3 7 95 95 ILE .417 1.182 .886 4 4 8 96 96 ILE .588 1.045 .848 4 4 8 97 97 TYR .850 .882 .872 4 8 12 98 98 GLY .972 .000 .972 4 0 4 99 99 HIS 2.686 3.280 3.056 4 6 10 100 100 ASN 5.476 7.918 6.807 4 4 8 101 101 MET 9.672 9.483 9.578 4 4 8 102 102 CYS 12.388 14.708 13.365 3 2 5 ENDMDL Model RMS deviations: 2.0266 2.9205 2.5307 407 440 847 MODEL 14 1 1 MET 6.653 8.949 7.885 4 4 8 2 2 ALA 5.770 6.866 6.005 4 1 5 3 3 ASP 4.358 5.961 5.221 4 4 8 4 4 THR 1.541 2.658 2.094 4 3 7 5 5 GLY 1.977 .000 1.977 4 0 4 6 6 GLU 1.961 2.652 2.370 4 5 9 7 7 VAL 1.436 1.632 1.523 4 3 7 8 8 GLN 1.157 3.375 2.631 4 5 9 9 9 PHE .843 2.473 2.037 4 7 11 10 10 MET .910 2.214 1.693 4 4 8 11 11 LYS .740 1.433 1.177 4 5 9 12 12 PRO 1.193 2.231 1.717 4 3 7 13 13 PHE .636 3.822 3.073 4 7 11 14 14 ILE .927 1.443 1.213 4 4 8 15 15 SER .803 1.075 .903 4 2 6 16 16 GLU 1.031 1.927 1.592 4 5 9 17 17 LYS .988 1.573 1.345 4 5 9 18 18 SER .894 .994 .928 4 2 6 19 19 SER .948 1.044 .981 4 2 6 20 20 LYS 1.041 3.427 2.647 4 5 9 21 21 SER 1.124 .937 1.065 4 2 6 22 22 LEU .626 1.438 1.109 4 4 8 23 23 GLU .406 1.564 1.196 4 5 9 24 24 ILE .445 .884 .700 4 4 8 25 25 PRO .799 .528 .696 4 3 7 26 26 LEU 1.311 1.573 1.448 4 4 8 27 27 GLY 1.265 .000 1.265 4 0 4 28 28 PHE 1.261 1.346 1.316 4 7 11 29 29 ASN 1.585 2.086 1.853 4 4 8 30 30 GLU 2.209 4.124 3.409 4 5 9 31 31 TYR 2.205 1.641 1.848 4 8 12 32 32 PHE 1.766 1.696 1.721 4 7 11 33 33 PRO 1.589 1.401 1.511 4 3 7 34 34 ALA 1.961 2.954 2.196 4 1 5 35 35 PRO 1.884 2.341 2.092 4 3 7 36 36 PHE 1.568 3.372 2.851 4 7 11 37 37 PRO 1.508 1.593 1.545 4 3 7 38 38 ILE 1.299 1.198 1.250 4 4 8 39 39 THR 1.012 1.788 1.398 4 3 7 40 40 VAL .718 1.311 1.015 4 3 7 41 41 ASP .436 2.276 1.639 4 4 8 42 42 LEU .437 .853 .677 4 4 8 43 43 LEU .382 .497 .443 4 4 8 44 44 ASP .519 1.610 1.196 4 4 8 45 45 TYR .599 3.624 2.979 4 8 12 46 46 SER 1.606 .843 1.399 4 2 6 47 47 GLY .558 .000 .558 4 0 4 48 48 ARG .466 1.810 1.471 4 7 11 49 49 SER .353 .599 .450 4 2 6 50 50 TRP .147 .212 .196 4 10 14 51 51 THR .235 .328 .279 4 3 7 52 52 VAL .356 .804 .591 4 3 7 53 53 ARG .268 1.060 .861 4 7 11 54 54 MET .520 .759 .651 4 4 8 55 55 LYS .563 1.246 1.002 4 5 9 56 56 LYS .266 .995 .762 4 5 9 57 57 ARG .447 1.182 .981 4 7 11 58 58 GLY .476 .000 .476 4 0 4 59 59 GLU .575 3.219 2.430 4 5 9 60 60 LYS .436 1.234 .964 4 5 9 61 61 VAL .295 .603 .453 4 3 7 62 62 PHE .383 1.857 1.499 4 7 11 63 63 LEU .499 .835 .688 4 4 8 64 64 THR .621 1.624 1.162 4 3 7 65 65 VAL .417 1.382 .958 4 3 7 66 66 GLY .302 .000 .302 4 0 4 67 67 TRP .255 .476 .425 4 10 14 68 68 GLU .168 2.056 1.537 4 5 9 69 69 ASN .124 .994 .709 4 4 8 70 70 PHE .126 1.036 .830 4 7 11 71 71 VAL .137 .198 .166 4 3 7 72 72 LYS .135 1.527 1.142 4 5 9 73 73 ASP .082 .555 .396 4 4 8 74 74 ASN .120 .887 .633 4 4 8 75 75 ASN .086 .345 .251 4 4 8 76 76 LEU .205 .620 .462 4 4 8 77 77 GLU .185 2.144 1.603 4 5 9 78 78 ASP .251 1.643 1.175 4 4 8 79 79 GLY .421 .000 .421 4 0 4 80 80 LYS .454 .779 .655 4 5 9 81 81 TYR .756 1.536 1.328 4 8 12 82 82 LEU .900 1.685 1.351 4 4 8 83 83 GLN .950 1.588 1.343 4 5 9 84 84 PHE .874 1.657 1.423 4 7 11 85 85 ILE 1.209 2.146 1.741 4 4 8 86 86 TYR .850 1.197 1.094 4 8 12 87 87 ASP 1.194 2.820 2.166 4 4 8 88 88 ARG 1.044 2.113 1.800 4 7 11 89 89 ASP 1.306 4.375 3.229 4 4 8 90 90 ARG 1.284 2.589 2.206 4 7 11 91 91 THR .840 .985 .905 4 3 7 92 92 PHE .541 .956 .829 4 7 11 93 93 TYR .547 1.526 1.285 4 8 12 94 94 VAL .667 1.261 .967 4 3 7 95 95 ILE .910 1.069 .993 4 4 8 96 96 ILE 1.104 1.547 1.344 4 4 8 97 97 TYR .999 1.098 1.066 4 8 12 98 98 GLY 1.221 .000 1.221 4 0 4 99 99 HIS 1.422 3.009 2.498 4 6 10 100 100 ASN 1.139 2.718 2.084 4 4 8 101 101 MET 2.948 6.335 4.941 4 4 8 102 102 CYS 1.974 2.978 2.426 3 2 5 ENDMDL Model RMS deviations: 1.4075 2.2591 1.8982 407 440 847 MODEL 15 1 1 MET 6.532 4.699 5.690 4 4 8 2 2 ALA 5.088 7.067 5.541 4 1 5 3 3 ASP 2.572 2.231 2.407 4 4 8 4 4 THR 1.793 4.186 3.057 4 3 7 5 5 GLY .891 .000 .891 4 0 4 6 6 GLU 1.239 1.171 1.202 4 5 9 7 7 VAL 1.289 1.384 1.331 4 3 7 8 8 GLN 1.260 1.467 1.379 4 5 9 9 9 PHE 1.046 1.808 1.574 4 7 11 10 10 MET 1.088 1.540 1.333 4 4 8 11 11 LYS .774 1.752 1.404 4 5 9 12 12 PRO .914 1.479 1.189 4 3 7 13 13 PHE 1.201 4.573 3.719 4 7 11 14 14 ILE .656 .673 .664 4 4 8 15 15 SER .841 1.482 1.097 4 2 6 16 16 GLU .466 1.068 .855 4 5 9 17 17 LYS .305 1.193 .912 4 5 9 18 18 SER .545 1.461 .954 4 2 6 19 19 SER .558 .758 .632 4 2 6 20 20 LYS 1.094 2.786 2.201 4 5 9 21 21 SER .485 1.179 .787 4 2 6 22 22 LEU .473 1.156 .883 4 4 8 23 23 GLU .349 2.022 1.525 4 5 9 24 24 ILE .275 .748 .563 4 4 8 25 25 PRO .369 .542 .451 4 3 7 26 26 LEU .553 .966 .788 4 4 8 27 27 GLY .769 .000 .769 4 0 4 28 28 PHE .938 1.460 1.295 4 7 11 29 29 ASN .968 .703 .846 4 4 8 30 30 GLU 1.041 1.361 1.229 4 5 9 31 31 TYR 1.164 2.800 2.383 4 8 12 32 32 PHE 1.033 1.124 1.092 4 7 11 33 33 PRO 1.080 .981 1.039 4 3 7 34 34 ALA 1.409 1.839 1.505 4 1 5 35 35 PRO .865 .941 .898 4 3 7 36 36 PHE .444 2.405 1.937 4 7 11 37 37 PRO .204 .313 .256 4 3 7 38 38 ILE .434 .445 .440 4 4 8 39 39 THR .497 .952 .728 4 3 7 40 40 VAL .453 1.217 .868 4 3 7 41 41 ASP .459 1.077 .828 4 4 8 42 42 LEU .547 .841 .709 4 4 8 43 43 LEU .815 .891 .854 4 4 8 44 44 ASP .829 2.237 1.687 4 4 8 45 45 TYR 1.214 1.811 1.636 4 8 12 46 46 SER 1.485 1.940 1.651 4 2 6 47 47 GLY 1.011 .000 1.011 4 0 4 48 48 ARG .380 2.348 1.887 4 7 11 49 49 SER .268 .341 .294 4 2 6 50 50 TRP .360 .419 .403 4 10 14 51 51 THR .428 .394 .414 4 3 7 52 52 VAL .621 .970 .790 4 3 7 53 53 ARG .308 1.268 1.029 4 7 11 54 54 MET .348 .927 .700 4 4 8 55 55 LYS .598 1.380 1.103 4 5 9 56 56 LYS .864 1.198 1.063 4 5 9 57 57 ARG .800 1.910 1.598 4 7 11 58 58 GLY 1.171 .000 1.171 4 0 4 59 59 GLU 1.204 2.184 1.815 4 5 9 60 60 LYS .990 3.612 2.772 4 5 9 61 61 VAL .637 .986 .806 4 3 7 62 62 PHE .504 1.323 1.099 4 7 11 63 63 LEU .329 .665 .525 4 4 8 64 64 THR .610 1.421 1.038 4 3 7 65 65 VAL .443 1.716 1.172 4 3 7 66 66 GLY .264 .000 .264 4 0 4 67 67 TRP .311 .243 .264 4 10 14 68 68 GLU .503 1.093 .881 4 5 9 69 69 ASN .274 1.068 .780 4 4 8 70 70 PHE .342 1.123 .919 4 7 11 71 71 VAL .582 .894 .732 4 3 7 72 72 LYS .425 3.554 2.664 4 5 9 73 73 ASP .293 1.135 .829 4 4 8 74 74 ASN .666 .898 .791 4 4 8 75 75 ASN .783 1.684 1.313 4 4 8 76 76 LEU 1.026 1.338 1.192 4 4 8 77 77 GLU .773 1.556 1.269 4 5 9 78 78 ASP .716 2.003 1.504 4 4 8 79 79 GLY .593 .000 .593 4 0 4 80 80 LYS .664 1.202 1.000 4 5 9 81 81 TYR .611 1.489 1.266 4 8 12 82 82 LEU .744 1.747 1.342 4 4 8 83 83 GLN .851 2.125 1.682 4 5 9 84 84 PHE .872 1.579 1.365 4 7 11 85 85 ILE 1.047 1.547 1.321 4 4 8 86 86 TYR 1.017 1.317 1.225 4 8 12 87 87 ASP 1.044 2.030 1.614 4 4 8 88 88 ARG 1.663 2.183 2.010 4 7 11 89 89 ASP 1.372 1.640 1.512 4 4 8 90 90 ARG 1.054 3.221 2.647 4 7 11 91 91 THR .816 1.751 1.302 4 3 7 92 92 PHE .657 .907 .825 4 7 11 93 93 TYR .771 1.942 1.647 4 8 12 94 94 VAL .552 .877 .710 4 3 7 95 95 ILE .511 1.046 .823 4 4 8 96 96 ILE .427 1.636 1.195 4 4 8 97 97 TYR .687 .882 .822 4 8 12 98 98 GLY .796 .000 .796 4 0 4 99 99 HIS 1.939 2.249 2.131 4 6 10 100 100 ASN 3.908 5.537 4.792 4 4 8 101 101 MET 6.441 8.146 7.343 4 4 8 102 102 CYS 9.054 9.214 9.118 3 2 5 ENDMDL Model RMS deviations: 1.6013 2.1354 1.8976 407 440 847 MODEL 16 1 1 MET 12.126 15.604 13.974 4 4 8 2 2 ALA 9.492 8.964 9.389 4 1 5 3 3 ASP 6.006 8.586 7.409 4 4 8 4 4 THR 2.519 2.098 2.347 4 3 7 5 5 GLY 1.010 .000 1.010 4 0 4 6 6 GLU 1.399 1.885 1.687 4 5 9 7 7 VAL 1.393 1.387 1.391 4 3 7 8 8 GLN 1.618 1.742 1.688 4 5 9 9 9 PHE 1.587 2.477 2.195 4 7 11 10 10 MET 1.660 2.899 2.362 4 4 8 11 11 LYS .907 2.023 1.625 4 5 9 12 12 PRO 1.131 1.932 1.527 4 3 7 13 13 PHE .895 3.815 3.091 4 7 11 14 14 ILE .985 .875 .932 4 4 8 15 15 SER .928 1.364 1.093 4 2 6 16 16 GLU .846 1.178 1.044 4 5 9 17 17 LYS .744 4.033 3.047 4 5 9 18 18 SER .701 1.145 .874 4 2 6 19 19 SER .746 .935 .814 4 2 6 20 20 LYS .743 1.791 1.424 4 5 9 21 21 SER .548 .711 .607 4 2 6 22 22 LEU .308 1.025 .757 4 4 8 23 23 GLU .496 2.441 1.849 4 5 9 24 24 ILE .528 1.445 1.088 4 4 8 25 25 PRO .787 .825 .804 4 3 7 26 26 LEU .905 .892 .899 4 4 8 27 27 GLY .993 .000 .993 4 0 4 28 28 PHE .752 .747 .749 4 7 11 29 29 ASN 1.034 2.578 1.964 4 4 8 30 30 GLU 1.268 2.053 1.748 4 5 9 31 31 TYR .978 1.788 1.565 4 8 12 32 32 PHE 1.220 1.406 1.342 4 7 11 33 33 PRO 1.424 1.252 1.353 4 3 7 34 34 ALA 1.782 2.397 1.920 4 1 5 35 35 PRO 1.064 .800 .960 4 3 7 36 36 PHE .968 3.411 2.783 4 7 11 37 37 PRO 1.017 1.252 1.124 4 3 7 38 38 ILE .822 1.266 1.067 4 4 8 39 39 THR 1.027 1.767 1.393 4 3 7 40 40 VAL .886 1.180 1.023 4 3 7 41 41 ASP .986 1.646 1.357 4 4 8 42 42 LEU 1.129 1.087 1.108 4 4 8 43 43 LEU 1.188 1.299 1.245 4 4 8 44 44 ASP 1.051 1.509 1.300 4 4 8 45 45 TYR .930 2.124 1.816 4 8 12 46 46 SER .728 1.173 .901 4 2 6 47 47 GLY 1.396 .000 1.396 4 0 4 48 48 ARG 1.327 1.208 1.253 4 7 11 49 49 SER 1.349 1.540 1.415 4 2 6 50 50 TRP 1.251 1.281 1.272 4 10 14 51 51 THR 1.096 1.216 1.149 4 3 7 52 52 VAL .969 1.391 1.169 4 3 7 53 53 ARG .620 1.364 1.151 4 7 11 54 54 MET .526 .801 .678 4 4 8 55 55 LYS .785 2.139 1.678 4 5 9 56 56 LYS .928 1.295 1.146 4 5 9 57 57 ARG .890 1.844 1.566 4 7 11 58 58 GLY 1.009 .000 1.009 4 0 4 59 59 GLU 1.172 2.825 2.246 4 5 9 60 60 LYS .885 2.959 2.283 4 5 9 61 61 VAL .527 .606 .562 4 3 7 62 62 PHE .591 4.255 3.413 4 7 11 63 63 LEU .500 2.496 1.800 4 4 8 64 64 THR .378 1.219 .848 4 3 7 65 65 VAL .748 1.362 1.056 4 3 7 66 66 GLY .937 .000 .937 4 0 4 67 67 TRP .861 .610 .691 4 10 14 68 68 GLU 1.112 2.043 1.693 4 5 9 69 69 ASN 1.243 1.726 1.504 4 4 8 70 70 PHE 1.028 1.253 1.176 4 7 11 71 71 VAL .967 .929 .951 4 3 7 72 72 LYS 1.281 1.955 1.689 4 5 9 73 73 ASP 1.312 1.759 1.552 4 4 8 74 74 ASN 1.056 1.226 1.144 4 4 8 75 75 ASN 1.057 1.232 1.148 4 4 8 76 76 LEU .778 1.597 1.256 4 4 8 77 77 GLU .888 1.749 1.431 4 5 9 78 78 ASP 1.097 1.648 1.400 4 4 8 79 79 GLY .839 .000 .839 4 0 4 80 80 LYS .537 1.609 1.251 4 5 9 81 81 TYR .470 1.135 .965 4 8 12 82 82 LEU 1.084 1.429 1.268 4 4 8 83 83 GLN 1.232 2.926 2.330 4 5 9 84 84 PHE 1.395 1.638 1.554 4 7 11 85 85 ILE 1.469 1.075 1.287 4 4 8 86 86 TYR 1.403 2.419 2.135 4 8 12 87 87 ASP 1.923 2.373 2.160 4 4 8 88 88 ARG 1.198 1.911 1.687 4 7 11 89 89 ASP 1.201 1.193 1.197 4 4 8 90 90 ARG 1.221 3.610 2.972 4 7 11 91 91 THR 1.133 1.691 1.400 4 3 7 92 92 PHE 1.129 1.675 1.500 4 7 11 93 93 TYR 1.086 2.164 1.875 4 8 12 94 94 VAL 1.209 1.248 1.226 4 3 7 95 95 ILE 1.042 2.598 1.979 4 4 8 96 96 ILE .760 .899 .832 4 4 8 97 97 TYR .708 1.160 1.032 4 8 12 98 98 GLY .652 .000 .652 4 0 4 99 99 HIS 2.079 5.102 4.165 4 6 10 100 100 ASN 3.642 2.277 3.037 4 4 8 101 101 MET 6.929 10.639 8.978 4 4 8 102 102 CYS 6.945 7.040 6.983 3 2 5 ENDMDL Model RMS deviations: 2.1834 2.8893 2.5744 407 440 847 MODEL 17 1 1 MET 6.326 8.411 7.442 4 4 8 2 2 ALA 4.519 3.071 4.269 4 1 5 3 3 ASP 3.199 5.806 4.687 4 4 8 4 4 THR 1.203 2.375 1.801 4 3 7 5 5 GLY 1.537 .000 1.537 4 0 4 6 6 GLU 1.321 2.493 2.056 4 5 9 7 7 VAL 1.072 1.462 1.254 4 3 7 8 8 GLN .712 1.924 1.510 4 5 9 9 9 PHE .580 1.113 .954 4 7 11 10 10 MET .481 2.658 1.910 4 4 8 11 11 LYS .437 1.499 1.155 4 5 9 12 12 PRO .674 1.436 1.069 4 3 7 13 13 PHE .509 4.742 3.796 4 7 11 14 14 ILE .345 .700 .552 4 4 8 15 15 SER .554 1.613 1.036 4 2 6 16 16 GLU .602 1.223 .996 4 5 9 17 17 LYS .343 .780 .625 4 5 9 18 18 SER .206 .641 .407 4 2 6 19 19 SER .278 .818 .524 4 2 6 20 20 LYS .422 1.391 1.074 4 5 9 21 21 SER .328 .894 .581 4 2 6 22 22 LEU .282 .904 .670 4 4 8 23 23 GLU .203 2.316 1.732 4 5 9 24 24 ILE .252 1.130 .819 4 4 8 25 25 PRO .363 .338 .352 4 3 7 26 26 LEU .489 .629 .564 4 4 8 27 27 GLY .512 .000 .512 4 0 4 28 28 PHE .343 1.179 .963 4 7 11 29 29 ASN .368 1.552 1.128 4 4 8 30 30 GLU .263 1.544 1.164 4 5 9 31 31 TYR .196 1.480 1.214 4 8 12 32 32 PHE .534 .908 .792 4 7 11 33 33 PRO 1.245 1.279 1.260 4 3 7 34 34 ALA 1.902 3.033 2.175 4 1 5 35 35 PRO 2.266 3.148 2.680 4 3 7 36 36 PHE .961 1.951 1.661 4 7 11 37 37 PRO .651 .973 .805 4 3 7 38 38 ILE .436 .793 .640 4 4 8 39 39 THR .216 .613 .433 4 3 7 40 40 VAL .424 1.321 .922 4 3 7 41 41 ASP .654 1.846 1.385 4 4 8 42 42 LEU .668 .658 .663 4 4 8 43 43 LEU .930 .980 .955 4 4 8 44 44 ASP 1.361 1.622 1.497 4 4 8 45 45 TYR 1.757 3.002 2.653 4 8 12 46 46 SER 1.412 1.003 1.290 4 2 6 47 47 GLY 1.119 .000 1.119 4 0 4 48 48 ARG 1.011 2.657 2.205 4 7 11 49 49 SER .768 1.016 .859 4 2 6 50 50 TRP .519 .608 .584 4 10 14 51 51 THR .662 1.029 .839 4 3 7 52 52 VAL .703 1.065 .877 4 3 7 53 53 ARG .913 1.893 1.607 4 7 11 54 54 MET .870 1.707 1.355 4 4 8 55 55 LYS .421 1.539 1.181 4 5 9 56 56 LYS .880 1.533 1.285 4 5 9 57 57 ARG 1.320 2.182 1.914 4 7 11 58 58 GLY 1.430 .000 1.430 4 0 4 59 59 GLU .802 2.646 2.043 4 5 9 60 60 LYS .559 1.336 1.063 4 5 9 61 61 VAL .828 .864 .844 4 3 7 62 62 PHE .814 1.668 1.419 4 7 11 63 63 LEU .822 1.153 1.001 4 4 8 64 64 THR .653 1.603 1.160 4 3 7 65 65 VAL .876 1.847 1.379 4 3 7 66 66 GLY .528 .000 .528 4 0 4 67 67 TRP .405 .572 .530 4 10 14 68 68 GLU .536 1.390 1.096 4 5 9 69 69 ASN .397 .706 .573 4 4 8 70 70 PHE .788 1.613 1.372 4 7 11 71 71 VAL .918 1.829 1.384 4 3 7 72 72 LYS .519 3.343 2.516 4 5 9 73 73 ASP .421 .664 .556 4 4 8 74 74 ASN .568 1.455 1.105 4 4 8 75 75 ASN .531 .476 .504 4 4 8 76 76 LEU .779 1.439 1.157 4 4 8 77 77 GLU .626 1.504 1.196 4 5 9 78 78 ASP .654 1.776 1.338 4 4 8 79 79 GLY .685 .000 .685 4 0 4 80 80 LYS .628 .998 .853 4 5 9 81 81 TYR .546 1.195 1.026 4 8 12 82 82 LEU .558 1.629 1.217 4 4 8 83 83 GLN .816 1.579 1.296 4 5 9 84 84 PHE .873 1.160 1.065 4 7 11 85 85 ILE .925 2.628 1.970 4 4 8 86 86 TYR 1.008 1.735 1.532 4 8 12 87 87 ASP 1.539 2.452 2.047 4 4 8 88 88 ARG 1.769 2.487 2.252 4 7 11 89 89 ASP 1.406 1.780 1.604 4 4 8 90 90 ARG 1.180 1.528 1.411 4 7 11 91 91 THR 1.042 1.279 1.149 4 3 7 92 92 PHE .850 1.425 1.247 4 7 11 93 93 TYR .904 2.327 1.971 4 8 12 94 94 VAL .949 1.755 1.354 4 3 7 95 95 ILE .732 2.140 1.600 4 4 8 96 96 ILE .827 1.245 1.057 4 4 8 97 97 TYR 1.779 1.997 1.927 4 8 12 98 98 GLY 2.182 .000 2.182 4 0 4 99 99 HIS 2.833 3.749 3.412 4 6 10 100 100 ASN 1.818 2.132 1.981 4 4 8 101 101 MET 2.057 4.380 3.422 4 4 8 102 102 CYS 1.882 3.896 2.863 3 2 5 ENDMDL Model RMS deviations: 1.2804 2.1010 1.7552 407 440 847 MODEL 18 1 1 MET 6.946 10.590 8.955 4 4 8 2 2 ALA 5.293 6.524 5.561 4 1 5 3 3 ASP 2.695 3.648 3.207 4 4 8 4 4 THR 2.064 4.293 3.215 4 3 7 5 5 GLY 1.170 .000 1.170 4 0 4 6 6 GLU .897 2.026 1.624 4 5 9 7 7 VAL .752 1.044 .889 4 3 7 8 8 GLN 1.072 1.479 1.314 4 5 9 9 9 PHE 1.071 1.212 1.163 4 7 11 10 10 MET 1.149 2.124 1.707 4 4 8 11 11 LYS 1.026 1.690 1.433 4 5 9 12 12 PRO 1.230 1.887 1.546 4 3 7 13 13 PHE .849 3.816 3.087 4 7 11 14 14 ILE 1.002 1.717 1.406 4 4 8 15 15 SER .720 .804 .749 4 2 6 16 16 GLU .846 2.564 1.992 4 5 9 17 17 LYS .972 3.788 2.897 4 5 9 18 18 SER 1.011 1.135 1.054 4 2 6 19 19 SER .881 .962 .909 4 2 6 20 20 LYS .727 2.913 2.225 4 5 9 21 21 SER 1.027 1.479 1.197 4 2 6 22 22 LEU .584 1.137 .904 4 4 8 23 23 GLU .899 2.467 1.934 4 5 9 24 24 ILE .809 .912 .862 4 4 8 25 25 PRO 1.117 1.389 1.241 4 3 7 26 26 LEU .873 .908 .891 4 4 8 27 27 GLY 1.098 .000 1.098 4 0 4 28 28 PHE 1.055 2.590 2.162 4 7 11 29 29 ASN .743 .873 .811 4 4 8 30 30 GLU .922 1.795 1.472 4 5 9 31 31 TYR 1.362 2.155 1.927 4 8 12 32 32 PHE 1.261 1.461 1.392 4 7 11 33 33 PRO 1.567 1.696 1.624 4 3 7 34 34 ALA 1.663 1.790 1.689 4 1 5 35 35 PRO 1.334 1.514 1.414 4 3 7 36 36 PHE 1.002 2.892 2.385 4 7 11 37 37 PRO 1.146 1.359 1.242 4 3 7 38 38 ILE 1.052 1.511 1.302 4 4 8 39 39 THR .906 1.105 .996 4 3 7 40 40 VAL .840 1.316 1.070 4 3 7 41 41 ASP 1.002 1.644 1.361 4 4 8 42 42 LEU 1.148 1.111 1.130 4 4 8 43 43 LEU 1.312 .872 1.114 4 4 8 44 44 ASP 1.421 2.096 1.791 4 4 8 45 45 TYR 1.879 1.446 1.603 4 8 12 46 46 SER 1.934 2.311 2.067 4 2 6 47 47 GLY 1.623 .000 1.623 4 0 4 48 48 ARG .953 2.362 1.970 4 7 11 49 49 SER .641 .540 .609 4 2 6 50 50 TRP .472 .528 .512 4 10 14 51 51 THR .413 .617 .511 4 3 7 52 52 VAL .377 1.031 .733 4 3 7 53 53 ARG .364 1.071 .882 4 7 11 54 54 MET .828 1.465 1.190 4 4 8 55 55 LYS 1.031 1.757 1.479 4 5 9 56 56 LYS 1.389 1.545 1.478 4 5 9 57 57 ARG 1.531 1.637 1.599 4 7 11 58 58 GLY 1.942 .000 1.942 4 0 4 59 59 GLU 1.456 2.070 1.823 4 5 9 60 60 LYS 1.009 2.988 2.327 4 5 9 61 61 VAL .295 .783 .559 4 3 7 62 62 PHE .435 1.571 1.280 4 7 11 63 63 LEU .330 1.311 .956 4 4 8 64 64 THR .493 1.381 .978 4 3 7 65 65 VAL .335 1.950 1.301 4 3 7 66 66 GLY .369 .000 .369 4 0 4 67 67 TRP .343 .638 .570 4 10 14 68 68 GLU .541 1.096 .893 4 5 9 69 69 ASN .513 .775 .657 4 4 8 70 70 PHE .453 .995 .839 4 7 11 71 71 VAL .506 .633 .564 4 3 7 72 72 LYS .556 1.169 .947 4 5 9 73 73 ASP .747 .790 .769 4 4 8 74 74 ASN .893 2.042 1.576 4 4 8 75 75 ASN .738 1.178 .983 4 4 8 76 76 LEU .648 .962 .820 4 4 8 77 77 GLU .831 1.370 1.162 4 5 9 78 78 ASP 1.270 2.280 1.845 4 4 8 79 79 GLY 1.907 .000 1.907 4 0 4 80 80 LYS 1.122 1.777 1.521 4 5 9 81 81 TYR 1.112 2.018 1.769 4 8 12 82 82 LEU 1.031 1.724 1.421 4 4 8 83 83 GLN 1.042 1.227 1.149 4 5 9 84 84 PHE .977 1.167 1.102 4 7 11 85 85 ILE .974 1.167 1.075 4 4 8 86 86 TYR .870 3.779 3.126 4 8 12 87 87 ASP 1.138 2.608 2.012 4 4 8 88 88 ARG .414 1.609 1.308 4 7 11 89 89 ASP .584 1.052 .851 4 4 8 90 90 ARG .820 1.844 1.552 4 7 11 91 91 THR .837 1.089 .954 4 3 7 92 92 PHE 1.002 1.700 1.485 4 7 11 93 93 TYR 1.043 2.064 1.790 4 8 12 94 94 VAL 1.218 1.491 1.342 4 3 7 95 95 ILE 1.201 1.690 1.466 4 4 8 96 96 ILE 1.272 1.861 1.594 4 4 8 97 97 TYR 1.531 1.489 1.503 4 8 12 98 98 GLY 1.640 .000 1.640 4 0 4 99 99 HIS 2.614 7.101 5.744 4 6 10 100 100 ASN 5.566 7.250 6.463 4 4 8 101 101 MET 6.161 3.546 5.027 4 4 8 102 102 CYS 8.637 8.904 8.745 3 2 5 ENDMDL Model RMS deviations: 1.7797 2.4744 2.1685 407 440 847 MODEL 19 1 1 MET 2.645 4.566 3.731 4 4 8 2 2 ALA 3.764 5.270 4.110 4 1 5 3 3 ASP 3.341 5.361 4.467 4 4 8 4 4 THR 1.572 3.022 2.308 4 3 7 5 5 GLY 1.721 .000 1.721 4 0 4 6 6 GLU 1.229 1.427 1.343 4 5 9 7 7 VAL .580 .565 .574 4 3 7 8 8 GLN .307 1.360 1.034 4 5 9 9 9 PHE .382 1.340 1.093 4 7 11 10 10 MET .583 1.812 1.346 4 4 8 11 11 LYS .352 1.575 1.197 4 5 9 12 12 PRO .467 .995 .741 4 3 7 13 13 PHE .410 2.580 2.073 4 7 11 14 14 ILE .449 .953 .745 4 4 8 15 15 SER .386 .725 .524 4 2 6 16 16 GLU .402 1.684 1.284 4 5 9 17 17 LYS .494 2.275 1.727 4 5 9 18 18 SER .540 .770 .626 4 2 6 19 19 SER .532 1.834 1.144 4 2 6 20 20 LYS .676 3.482 2.634 4 5 9 21 21 SER .453 .477 .461 4 2 6 22 22 LEU .504 1.413 1.061 4 4 8 23 23 GLU .558 1.521 1.193 4 5 9 24 24 ILE .771 .808 .789 4 4 8 25 25 PRO 1.014 1.017 1.015 4 3 7 26 26 LEU 1.275 1.469 1.376 4 4 8 27 27 GLY 1.403 .000 1.403 4 0 4 28 28 PHE .953 1.455 1.295 4 7 11 29 29 ASN .747 1.004 .885 4 4 8 30 30 GLU .861 2.198 1.736 4 5 9 31 31 TYR .631 1.051 .932 4 8 12 32 32 PHE .235 .823 .672 4 7 11 33 33 PRO .586 .582 .584 4 3 7 34 34 ALA .870 1.581 1.051 4 1 5 35 35 PRO .613 .737 .669 4 3 7 36 36 PHE .289 2.519 2.017 4 7 11 37 37 PRO .251 .423 .335 4 3 7 38 38 ILE .605 .702 .655 4 4 8 39 39 THR .610 1.730 1.223 4 3 7 40 40 VAL .301 .919 .643 4 3 7 41 41 ASP .545 1.348 1.028 4 4 8 42 42 LEU .731 .993 .871 4 4 8 43 43 LEU 1.118 .848 .992 4 4 8 44 44 ASP 1.474 1.731 1.607 4 4 8 45 45 TYR 1.630 3.768 3.217 4 8 12 46 46 SER 1.580 1.695 1.619 4 2 6 47 47 GLY .921 .000 .921 4 0 4 48 48 ARG .975 2.371 1.981 4 7 11 49 49 SER .571 .379 .515 4 2 6 50 50 TRP .448 .762 .687 4 10 14 51 51 THR .329 .300 .317 4 3 7 52 52 VAL .334 .837 .603 4 3 7 53 53 ARG .371 1.108 .912 4 7 11 54 54 MET .514 1.222 .938 4 4 8 55 55 LYS .527 1.471 1.152 4 5 9 56 56 LYS 1.116 .944 1.024 4 5 9 57 57 ARG 1.685 2.030 1.911 4 7 11 58 58 GLY 1.342 .000 1.342 4 0 4 59 59 GLU 1.335 3.182 2.533 4 5 9 60 60 LYS 1.192 1.511 1.378 4 5 9 61 61 VAL .870 1.928 1.423 4 3 7 62 62 PHE .675 4.062 3.266 4 7 11 63 63 LEU .530 .980 .788 4 4 8 64 64 THR .662 1.651 1.191 4 3 7 65 65 VAL .367 1.060 .747 4 3 7 66 66 GLY .365 .000 .365 4 0 4 67 67 TRP .221 .456 .403 4 10 14 68 68 GLU .335 1.583 1.201 4 5 9 69 69 ASN .571 1.146 .905 4 4 8 70 70 PHE .553 1.064 .912 4 7 11 71 71 VAL .377 .163 .304 4 3 7 72 72 LYS .687 2.585 1.980 4 5 9 73 73 ASP .941 1.125 1.037 4 4 8 74 74 ASN .782 1.575 1.243 4 4 8 75 75 ASN .460 1.499 1.109 4 4 8 76 76 LEU .348 1.128 .835 4 4 8 77 77 GLU .256 1.114 .848 4 5 9 78 78 ASP .292 1.387 1.002 4 4 8 79 79 GLY .371 .000 .371 4 0 4 80 80 LYS .389 1.125 .878 4 5 9 81 81 TYR .406 1.382 1.152 4 8 12 82 82 LEU .481 1.583 1.170 4 4 8 83 83 GLN .195 2.390 1.786 4 5 9 84 84 PHE .293 1.197 .971 4 7 11 85 85 ILE .432 .650 .552 4 4 8 86 86 TYR .587 2.382 1.974 4 8 12 87 87 ASP .873 2.186 1.665 4 4 8 88 88 ARG .724 1.905 1.581 4 7 11 89 89 ASP .511 .840 .695 4 4 8 90 90 ARG .482 2.116 1.713 4 7 11 91 91 THR .467 .800 .631 4 3 7 92 92 PHE .624 1.405 1.182 4 7 11 93 93 TYR .773 2.437 2.039 4 8 12 94 94 VAL 1.076 2.042 1.565 4 3 7 95 95 ILE .818 1.508 1.213 4 4 8 96 96 ILE .597 1.190 .941 4 4 8 97 97 TYR .754 1.169 1.049 4 8 12 98 98 GLY 1.502 .000 1.502 4 0 4 99 99 HIS 2.706 4.976 4.217 4 6 10 100 100 ASN 2.907 5.857 4.623 4 4 8 101 101 MET 4.603 1.856 3.509 4 4 8 102 102 CYS 6.955 7.158 7.037 3 2 5 ENDMDL Model RMS deviations: 1.2675 2.0720 1.7327 407 440 847 MODEL 20 1 1 MET 6.167 8.645 7.509 4 4 8 2 2 ALA 5.291 5.234 5.280 4 1 5 3 3 ASP 3.904 6.600 5.422 4 4 8 4 4 THR 1.931 2.132 2.020 4 3 7 5 5 GLY 2.268 .000 2.268 4 0 4 6 6 GLU 1.754 2.025 1.910 4 5 9 7 7 VAL .611 .667 .636 4 3 7 8 8 GLN .517 2.213 1.685 4 5 9 9 9 PHE .800 2.171 1.798 4 7 11 10 10 MET 1.420 1.882 1.667 4 4 8 11 11 LYS 1.164 2.798 2.225 4 5 9 12 12 PRO 1.274 2.143 1.701 4 3 7 13 13 PHE .618 3.782 3.040 4 7 11 14 14 ILE .274 .464 .381 4 4 8 15 15 SER .345 .517 .410 4 2 6 16 16 GLU .336 2.045 1.541 4 5 9 17 17 LYS .555 3.878 2.914 4 5 9 18 18 SER .549 .715 .609 4 2 6 19 19 SER .688 1.507 1.036 4 2 6 20 20 LYS .777 2.792 2.145 4 5 9 21 21 SER .803 2.390 1.528 4 2 6 22 22 LEU 1.100 1.561 1.351 4 4 8 23 23 GLU .601 2.845 2.158 4 5 9 24 24 ILE .763 1.673 1.301 4 4 8 25 25 PRO .936 .944 .939 4 3 7 26 26 LEU .962 .867 .916 4 4 8 27 27 GLY 1.244 .000 1.244 4 0 4 28 28 PHE 1.523 1.742 1.665 4 7 11 29 29 ASN 1.411 1.327 1.369 4 4 8 30 30 GLU 1.296 1.949 1.690 4 5 9 31 31 TYR 1.233 1.691 1.553 4 8 12 32 32 PHE 1.439 1.291 1.347 4 7 11 33 33 PRO 2.197 1.090 1.808 4 3 7 34 34 ALA 1.220 1.965 1.401 4 1 5 35 35 PRO 1.576 2.212 1.875 4 3 7 36 36 PHE .834 3.148 2.561 4 7 11 37 37 PRO .959 1.105 1.024 4 3 7 38 38 ILE .940 1.333 1.154 4 4 8 39 39 THR .403 .454 .426 4 3 7 40 40 VAL .301 1.446 .974 4 3 7 41 41 ASP .396 .965 .737 4 4 8 42 42 LEU .310 .701 .542 4 4 8 43 43 LEU .446 .557 .504 4 4 8 44 44 ASP .569 1.840 1.362 4 4 8 45 45 TYR .906 1.799 1.559 4 8 12 46 46 SER 1.124 1.281 1.179 4 2 6 47 47 GLY .605 .000 .605 4 0 4 48 48 ARG .632 2.348 1.911 4 7 11 49 49 SER .712 1.007 .822 4 2 6 50 50 TRP .590 .608 .603 4 10 14 51 51 THR .367 .411 .386 4 3 7 52 52 VAL .480 1.026 .764 4 3 7 53 53 ARG .460 1.703 1.386 4 7 11 54 54 MET .489 1.137 .875 4 4 8 55 55 LYS .554 1.378 1.091 4 5 9 56 56 LYS .697 .994 .874 4 5 9 57 57 ARG .705 2.200 1.806 4 7 11 58 58 GLY .557 .000 .557 4 0 4 59 59 GLU .770 1.491 1.224 4 5 9 60 60 LYS .649 2.175 1.678 4 5 9 61 61 VAL .545 .617 .577 4 3 7 62 62 PHE .570 1.681 1.385 4 7 11 63 63 LEU .554 1.069 .851 4 4 8 64 64 THR .382 1.122 .789 4 3 7 65 65 VAL .354 1.583 1.070 4 3 7 66 66 GLY .488 .000 .488 4 0 4 67 67 TRP .550 .535 .539 4 10 14 68 68 GLU .758 1.457 1.198 4 5 9 69 69 ASN .589 .838 .724 4 4 8 70 70 PHE .480 .983 .836 4 7 11 71 71 VAL .700 .976 .829 4 3 7 72 72 LYS .726 1.280 1.070 4 5 9 73 73 ASP .516 .662 .594 4 4 8 74 74 ASN .534 .703 .624 4 4 8 75 75 ASN .718 2.909 2.118 4 4 8 76 76 LEU .727 .943 .842 4 4 8 77 77 GLU .602 2.517 1.919 4 5 9 78 78 ASP .396 1.573 1.147 4 4 8 79 79 GLY .388 .000 .388 4 0 4 80 80 LYS .580 2.095 1.609 4 5 9 81 81 TYR .775 1.992 1.687 4 8 12 82 82 LEU .959 3.081 2.281 4 4 8 83 83 GLN .750 2.298 1.784 4 5 9 84 84 PHE .765 .955 .891 4 7 11 85 85 ILE .725 .899 .817 4 4 8 86 86 TYR .828 .979 .931 4 8 12 87 87 ASP 1.134 2.130 1.706 4 4 8 88 88 ARG .344 1.454 1.179 4 7 11 89 89 ASP .386 .936 .716 4 4 8 90 90 ARG .304 1.037 .847 4 7 11 91 91 THR .327 .717 .531 4 3 7 92 92 PHE .365 .980 .812 4 7 11 93 93 TYR .411 1.975 1.630 4 8 12 94 94 VAL .373 .522 .443 4 3 7 95 95 ILE .529 1.160 .901 4 4 8 96 96 ILE .650 2.099 1.554 4 4 8 97 97 TYR .689 1.746 1.480 4 8 12 98 98 GLY 1.424 .000 1.424 4 0 4 99 99 HIS 3.686 6.873 5.812 4 6 10 100 100 ASN 2.505 1.757 2.163 4 4 8 101 101 MET 2.819 5.351 4.277 4 4 8 102 102 CYS 3.131 1.904 2.707 3 2 5 ENDMDL Model RMS deviations: 1.3593 2.2445 1.8721 407 440 847 ALL MODELS 1 1 MET 6.426 8.113 7.318 80 80 160 2 2 ALA 5.028 5.655 5.160 80 20 100 3 3 ASP 3.585 5.155 4.440 80 80 160 4 4 THR 2.465 3.777 3.096 80 60 140 5 5 GLY 1.646 .000 1.646 80 0 80 6 6 GLU 1.460 2.391 2.031 80 100 180 7 7 VAL 1.105 1.291 1.188 80 60 140 8 8 GLN 1.001 1.731 1.453 80 100 180 9 9 PHE .857 2.196 1.826 80 140 220 10 10 MET .963 1.946 1.535 80 80 160 11 11 LYS .787 1.739 1.398 80 100 180 12 12 PRO .910 1.449 1.172 80 60 140 13 13 PHE .810 3.323 2.696 80 140 220 14 14 ILE .697 1.018 .872 80 80 160 15 15 SER .662 .997 .789 80 40 120 16 16 GLU .676 1.592 1.269 80 100 180 17 17 LYS .662 2.221 1.713 80 100 180 18 18 SER .679 1.069 .829 80 40 120 19 19 SER .677 1.115 .849 80 40 120 20 20 LYS .788 2.837 2.179 80 100 180 21 21 SER .709 1.312 .954 80 40 120 22 22 LEU .595 1.299 1.010 80 80 160 23 23 GLU .559 1.959 1.507 80 100 180 24 24 ILE .570 .896 .751 80 80 160 25 25 PRO .766 .810 .785 80 60 140 26 26 LEU .912 .982 .948 80 80 160 27 27 GLY 1.034 .000 1.034 80 0 80 28 28 PHE .976 1.730 1.500 80 140 220 29 29 ASN 1.008 1.378 1.207 80 80 160 30 30 GLU 1.150 2.083 1.732 80 100 180 31 31 TYR 1.159 1.969 1.742 80 160 240 32 32 PHE 1.195 1.577 1.450 80 140 220 33 33 PRO 1.400 1.576 1.478 80 60 140 34 34 ALA 1.791 2.673 1.999 80 20 100 35 35 PRO 1.721 2.066 1.877 80 60 140 36 36 PHE 1.061 2.867 2.375 80 140 220 37 37 PRO .894 1.111 .993 80 60 140 38 38 ILE .726 .953 .847 80 80 160 39 39 THR .602 1.078 .839 80 60 140 40 40 VAL .500 1.142 .838 80 60 140 41 41 ASP .529 1.497 1.123 80 80 160 42 42 LEU .602 .954 .798 80 80 160 43 43 LEU .738 1.060 .913 80 80 160 44 44 ASP .888 1.658 1.330 80 80 160 45 45 TYR 1.141 2.783 2.366 80 160 240 46 46 SER 1.366 1.942 1.582 80 40 120 47 47 GLY .925 .000 .925 80 0 80 48 48 ARG .750 2.362 1.938 80 140 220 49 49 SER .635 .819 .702 80 40 120 50 50 TRP .521 .562 .551 80 200 280 51 51 THR .511 .699 .599 80 60 140 52 52 VAL .547 1.127 .846 80 60 140 53 53 ARG .492 1.423 1.173 80 140 220 54 54 MET .542 1.299 .995 80 80 160 55 55 LYS .649 1.516 1.210 80 100 180 56 56 LYS .840 1.100 .993 80 100 180 57 57 ARG .944 2.224 1.863 80 140 220 58 58 GLY 1.003 .000 1.003 80 0 80 59 59 GLU .937 2.433 1.918 80 100 180 60 60 LYS .718 2.267 1.756 80 100 180 61 61 VAL .559 1.064 .815 80 60 140 62 62 PHE .521 2.168 1.758 80 140 220 63 63 LEU .523 1.155 .897 80 80 160 64 64 THR .547 1.217 .897 80 60 140 65 65 VAL .559 1.441 1.034 80 60 140 66 66 GLY .502 .000 .502 80 0 80 67 67 TRP .460 .531 .512 80 200 280 68 68 GLU .562 1.608 1.256 80 100 180 69 69 ASN .529 .955 .772 80 80 160 70 70 PHE .512 1.088 .922 80 140 220 71 71 VAL .563 .738 .644 80 60 140 72 72 LYS .608 2.173 1.670 80 100 180 73 73 ASP .608 .955 .801 80 80 160 74 74 ASN .603 1.322 1.027 80 80 160 75 75 ASN .603 1.144 .914 80 80 160 76 76 LEU .603 1.103 .889 80 80 160 77 77 GLU .614 1.853 1.441 80 100 180 78 78 ASP .724 1.672 1.289 80 80 160 79 79 GLY .795 .000 .795 80 0 80 80 80 LYS .639 1.430 1.148 80 100 180 81 81 TYR .648 1.400 1.202 80 160 240 82 82 LEU .774 1.695 1.318 80 80 160 83 83 GLN .748 1.795 1.428 80 100 180 84 84 PHE .770 1.514 1.294 80 140 220 85 85 ILE 1.048 1.457 1.269 80 80 160 86 86 TYR 1.092 2.424 2.077 80 160 240 87 87 ASP 1.540 3.015 2.394 80 80 160 88 88 ARG 1.432 3.273 2.750 80 140 220 89 89 ASP 1.087 1.729 1.444 80 80 160 90 90 ARG .923 2.445 2.028 80 140 220 91 91 THR .695 1.191 .940 80 60 140 92 92 PHE .651 1.207 1.040 80 140 220 93 93 TYR .667 2.384 1.984 80 160 240 94 94 VAL .691 1.337 1.019 80 60 140 95 95 ILE .689 1.513 1.175 80 80 160 96 96 ILE .772 1.364 1.108 80 80 160 97 97 TYR .932 1.438 1.292 80 160 240 98 98 GLY 1.442 .000 1.442 80 0 80 99 99 HIS 2.332 4.651 3.893 80 120 200 100 100 ASN 3.204 4.960 4.175 80 80 160 101 101 MET 4.661 5.278 4.979 80 80 160 102 102 CYS 6.090 6.920 6.435 60 40 100 ENDMDL Overall RMS deviation: 1.4790 2.2457 1.9159 8140 8800 16940