MODEL 1 1 1 MET 6.392 9.332 7.998 4 4 8 2 2 ALA 3.929 3.115 3.780 4 1 5 3 3 ASP 3.260 5.621 4.594 4 4 8 4 4 THR 3.026 2.691 2.888 4 3 7 5 5 GLY 3.138 .000 3.138 4 0 4 6 6 GLU 1.806 5.455 4.241 4 5 9 7 7 VAL .893 1.350 1.112 4 3 7 8 8 GLN .396 1.452 1.114 4 5 9 9 9 PHE .667 1.987 1.635 4 7 11 10 10 MET 1.113 1.571 1.361 4 4 8 11 11 LYS .852 2.029 1.615 4 5 9 12 12 PRO .917 1.099 .999 4 3 7 13 13 PHE .712 1.353 1.162 4 7 11 14 14 ILE .618 .835 .734 4 4 8 15 15 SER .500 .657 .557 4 2 6 16 16 GLU .388 3.026 2.270 4 5 9 17 17 LYS .469 1.199 .947 4 5 9 18 18 SER .638 .858 .719 4 2 6 19 19 SER .660 1.128 .846 4 2 6 20 20 LYS .765 1.755 1.404 4 5 9 21 21 SER .853 1.651 1.180 4 2 6 22 22 LEU 1.085 1.434 1.271 4 4 8 23 23 GLU 1.066 1.194 1.139 4 5 9 24 24 ILE 1.474 1.591 1.533 4 4 8 25 25 PRO 1.524 1.681 1.593 4 3 7 26 26 LEU 1.468 1.659 1.567 4 4 8 27 27 GLY 1.458 .000 1.458 4 0 4 28 28 PHE 1.501 3.679 3.071 4 7 11 29 29 ASN 1.187 1.427 1.312 4 4 8 30 30 GLU 1.253 .964 1.102 4 5 9 31 31 TYR 1.309 1.458 1.410 4 8 12 32 32 PHE .957 1.295 1.183 4 7 11 33 33 PRO 1.115 1.710 1.401 4 3 7 34 34 ALA .495 .950 .613 4 1 5 35 35 PRO 1.660 1.494 1.591 4 3 7 36 36 PHE 1.755 2.366 2.164 4 7 11 37 37 PRO 1.833 2.596 2.192 4 3 7 38 38 ILE 1.615 1.600 1.608 4 4 8 39 39 THR 1.097 1.271 1.174 4 3 7 40 40 VAL .963 1.216 1.078 4 3 7 41 41 ASP .715 2.306 1.707 4 4 8 42 42 LEU .614 1.517 1.157 4 4 8 43 43 LEU .588 .643 .616 4 4 8 44 44 ASP .695 1.207 .985 4 4 8 45 45 TYR .883 1.779 1.539 4 8 12 46 46 SER 1.229 .874 1.123 4 2 6 47 47 GLY .867 .000 .867 4 0 4 48 48 ARG .383 2.470 1.984 4 7 11 49 49 SER .368 .502 .417 4 2 6 50 50 TRP .520 .504 .509 4 10 14 51 51 THR .461 .715 .583 4 3 7 52 52 VAL .241 1.561 1.038 4 3 7 53 53 ARG .290 1.756 1.412 4 7 11 54 54 MET .892 1.441 1.198 4 4 8 55 55 LYS 1.165 .650 .915 4 5 9 56 56 LYS .922 .823 .869 4 5 9 57 57 ARG 1.562 2.685 2.340 4 7 11 58 58 GLY 1.559 .000 1.559 4 0 4 59 59 GLU 1.980 2.575 2.329 4 5 9 60 60 LYS 1.836 2.463 2.206 4 5 9 61 61 VAL 1.624 1.931 1.763 4 3 7 62 62 PHE 1.302 1.833 1.660 4 7 11 63 63 LEU .975 1.465 1.244 4 4 8 64 64 THR .687 .997 .834 4 3 7 65 65 VAL .635 1.048 .837 4 3 7 66 66 GLY .673 .000 .673 4 0 4 67 67 TRP .669 .870 .818 4 10 14 68 68 GLU .616 .833 .744 4 5 9 69 69 ASN .461 .806 .657 4 4 8 70 70 PHE .438 .948 .801 4 7 11 71 71 VAL .635 .782 .702 4 3 7 72 72 LYS .711 1.320 1.092 4 5 9 73 73 ASP .602 .715 .661 4 4 8 74 74 ASN .619 1.051 .863 4 4 8 75 75 ASN .722 .998 .871 4 4 8 76 76 LEU .751 .839 .796 4 4 8 77 77 GLU .744 1.092 .953 4 5 9 78 78 ASP .740 1.787 1.368 4 4 8 79 79 GLY 1.065 .000 1.065 4 0 4 80 80 LYS .902 1.927 1.557 4 5 9 81 81 TYR .533 1.378 1.166 4 8 12 82 82 LEU .639 1.542 1.180 4 4 8 83 83 GLN .476 1.823 1.396 4 5 9 84 84 PHE .500 2.950 2.373 4 7 11 85 85 ILE .813 .868 .841 4 4 8 86 86 TYR .809 1.050 .976 4 8 12 87 87 ASP 1.944 2.063 2.004 4 4 8 88 88 ARG 1.394 2.668 2.288 4 7 11 89 89 ASP 1.074 1.894 1.540 4 4 8 90 90 ARG 1.093 3.719 3.039 4 7 11 91 91 THR .695 .682 .689 4 3 7 92 92 PHE .555 1.305 1.094 4 7 11 93 93 TYR .756 1.776 1.515 4 8 12 94 94 VAL 1.026 1.186 1.097 4 3 7 95 95 ILE .637 1.276 1.009 4 4 8 96 96 ILE .852 2.216 1.679 4 4 8 97 97 TYR .854 1.161 1.068 4 8 12 98 98 GLY 2.357 .000 2.357 4 0 4 99 99 HIS 1.969 5.550 4.476 4 6 10 100 100 ASN 3.345 4.857 4.170 4 4 8 101 101 MET 3.577 5.361 4.557 4 4 8 102 102 CYS 5.762 5.538 5.673 3 2 5 ENDMDL Model RMS deviations: 1.5327 2.3012 1.9697 407 440 847 MODEL 2 1 1 MET 7.271 8.617 7.973 4 4 8 2 2 ALA 4.312 5.199 4.503 4 1 5 3 3 ASP 2.980 1.939 2.514 4 4 8 4 4 THR 3.599 5.079 4.296 4 3 7 5 5 GLY 2.106 .000 2.106 4 0 4 6 6 GLU 1.451 2.712 2.241 4 5 9 7 7 VAL 1.259 1.129 1.205 4 3 7 8 8 GLN 1.684 2.000 1.866 4 5 9 9 9 PHE 1.471 4.323 3.561 4 7 11 10 10 MET 1.129 1.282 1.208 4 4 8 11 11 LYS 1.305 2.029 1.745 4 5 9 12 12 PRO 1.369 1.260 1.323 4 3 7 13 13 PHE 1.367 1.342 1.351 4 7 11 14 14 ILE 1.321 1.469 1.397 4 4 8 15 15 SER 1.186 1.122 1.165 4 2 6 16 16 GLU 1.265 2.986 2.380 4 5 9 17 17 LYS .772 2.900 2.222 4 5 9 18 18 SER .610 .855 .701 4 2 6 19 19 SER .645 1.369 .950 4 2 6 20 20 LYS .480 1.172 .930 4 5 9 21 21 SER .472 1.529 .963 4 2 6 22 22 LEU .490 1.336 1.006 4 4 8 23 23 GLU .293 2.276 1.707 4 5 9 24 24 ILE .370 1.020 .767 4 4 8 25 25 PRO 1.099 1.481 1.277 4 3 7 26 26 LEU 1.750 1.793 1.772 4 4 8 27 27 GLY 2.224 .000 2.224 4 0 4 28 28 PHE 1.606 3.039 2.610 4 7 11 29 29 ASN 1.563 2.025 1.809 4 4 8 30 30 GLU 2.404 3.410 3.005 4 5 9 31 31 TYR 2.187 1.888 1.992 4 8 12 32 32 PHE 1.339 2.491 2.145 4 7 11 33 33 PRO 1.713 2.676 2.179 4 3 7 34 34 ALA .638 1.482 .875 4 1 5 35 35 PRO .540 1.332 .963 4 3 7 36 36 PHE .630 1.817 1.499 4 7 11 37 37 PRO .531 .536 .533 4 3 7 38 38 ILE .512 .781 .660 4 4 8 39 39 THR .460 .606 .528 4 3 7 40 40 VAL .524 .865 .691 4 3 7 41 41 ASP .576 1.417 1.082 4 4 8 42 42 LEU .613 1.054 .862 4 4 8 43 43 LEU .819 1.668 1.314 4 4 8 44 44 ASP 1.346 1.875 1.632 4 4 8 45 45 TYR 1.194 3.457 2.906 4 8 12 46 46 SER 1.905 5.001 3.279 4 2 6 47 47 GLY 1.922 .000 1.922 4 0 4 48 48 ARG 1.070 2.878 2.385 4 7 11 49 49 SER .458 1.037 .706 4 2 6 50 50 TRP .393 .500 .472 4 10 14 51 51 THR .446 .442 .444 4 3 7 52 52 VAL .381 .803 .599 4 3 7 53 53 ARG .291 2.140 1.716 4 7 11 54 54 MET .875 1.898 1.478 4 4 8 55 55 LYS 1.016 2.108 1.711 4 5 9 56 56 LYS .984 1.045 1.018 4 5 9 57 57 ARG 1.498 4.887 4.002 4 7 11 58 58 GLY 1.494 .000 1.494 4 0 4 59 59 GLU 1.863 2.522 2.253 4 5 9 60 60 LYS 1.328 1.944 1.698 4 5 9 61 61 VAL .891 1.339 1.105 4 3 7 62 62 PHE .512 1.386 1.147 4 7 11 63 63 LEU .295 1.033 .759 4 4 8 64 64 THR .383 .800 .598 4 3 7 65 65 VAL .425 1.279 .897 4 3 7 66 66 GLY .400 .000 .400 4 0 4 67 67 TRP .344 .273 .295 4 10 14 68 68 GLU .460 1.173 .927 4 5 9 69 69 ASN .471 .733 .616 4 4 8 70 70 PHE .397 1.107 .915 4 7 11 71 71 VAL .434 .395 .418 4 3 7 72 72 LYS .491 2.160 1.643 4 5 9 73 73 ASP .625 .750 .691 4 4 8 74 74 ASN .681 .862 .777 4 4 8 75 75 ASN .661 1.212 .976 4 4 8 76 76 LEU .626 1.400 1.085 4 4 8 77 77 GLU .839 2.373 1.855 4 5 9 78 78 ASP 1.105 2.199 1.740 4 4 8 79 79 GLY .698 .000 .698 4 0 4 80 80 LYS .570 1.469 1.159 4 5 9 81 81 TYR .433 1.375 1.151 4 8 12 82 82 LEU .328 1.106 .816 4 4 8 83 83 GLN .343 1.115 .862 4 5 9 84 84 PHE .515 .928 .803 4 7 11 85 85 ILE .609 .566 .588 4 4 8 86 86 TYR 1.256 2.572 2.222 4 8 12 87 87 ASP 2.350 2.723 2.544 4 4 8 88 88 ARG 2.260 3.739 3.279 4 7 11 89 89 ASP 1.481 2.437 2.017 4 4 8 90 90 ARG 1.331 5.706 4.622 4 7 11 91 91 THR 1.121 1.986 1.552 4 3 7 92 92 PHE .454 1.342 1.105 4 7 11 93 93 TYR .368 3.900 3.191 4 8 12 94 94 VAL .187 .842 .569 4 3 7 95 95 ILE .479 1.837 1.343 4 4 8 96 96 ILE .348 .827 .634 4 4 8 97 97 TYR .394 .901 .770 4 8 12 98 98 GLY 1.674 .000 1.674 4 0 4 99 99 HIS 1.594 4.222 3.422 4 6 10 100 100 ASN 2.739 5.312 4.226 4 4 8 101 101 MET 3.885 4.827 4.381 4 4 8 102 102 CYS 4.645 6.189 5.317 3 2 5 ENDMDL Model RMS deviations: 1.5639 2.5269 2.1195 407 440 847 MODEL 3 1 1 MET 6.281 7.155 6.732 4 4 8 2 2 ALA 3.700 3.056 3.580 4 1 5 3 3 ASP 1.297 3.515 2.649 4 4 8 4 4 THR 2.606 4.686 3.646 4 3 7 5 5 GLY 1.865 .000 1.865 4 0 4 6 6 GLU 1.274 1.465 1.383 4 5 9 7 7 VAL .486 .705 .590 4 3 7 8 8 GLN .300 .967 .748 4 5 9 9 9 PHE .254 1.184 .957 4 7 11 10 10 MET .304 1.118 .819 4 4 8 11 11 LYS .289 1.370 1.039 4 5 9 12 12 PRO .371 .824 .608 4 3 7 13 13 PHE .740 2.047 1.693 4 7 11 14 14 ILE .970 1.226 1.105 4 4 8 15 15 SER 1.645 2.121 1.817 4 2 6 16 16 GLU 1.966 3.336 2.811 4 5 9 17 17 LYS .927 1.264 1.127 4 5 9 18 18 SER .592 .952 .732 4 2 6 19 19 SER .773 .934 .830 4 2 6 20 20 LYS .540 2.786 2.108 4 5 9 21 21 SER .395 1.094 .709 4 2 6 22 22 LEU .107 .676 .484 4 4 8 23 23 GLU .192 1.278 .961 4 5 9 24 24 ILE .343 .561 .465 4 4 8 25 25 PRO .421 .650 .531 4 3 7 26 26 LEU .834 1.921 1.481 4 4 8 27 27 GLY .873 .000 .873 4 0 4 28 28 PHE .440 1.266 1.045 4 7 11 29 29 ASN .399 .838 .656 4 4 8 30 30 GLU .653 2.201 1.697 4 5 9 31 31 TYR .460 3.025 2.484 4 8 12 32 32 PHE .868 2.107 1.761 4 7 11 33 33 PRO 1.237 1.483 1.348 4 3 7 34 34 ALA 2.884 5.465 3.554 4 1 5 35 35 PRO 1.796 1.782 1.790 4 3 7 36 36 PHE 1.000 2.609 2.167 4 7 11 37 37 PRO 1.187 1.440 1.302 4 3 7 38 38 ILE .998 .881 .941 4 4 8 39 39 THR .781 .511 .678 4 3 7 40 40 VAL .842 1.532 1.188 4 3 7 41 41 ASP 1.063 2.233 1.749 4 4 8 42 42 LEU .682 1.212 .983 4 4 8 43 43 LEU .672 .777 .726 4 4 8 44 44 ASP .840 1.555 1.250 4 4 8 45 45 TYR 1.038 2.292 1.965 4 8 12 46 46 SER 1.680 1.586 1.649 4 2 6 47 47 GLY 1.958 .000 1.958 4 0 4 48 48 ARG 1.586 3.481 2.937 4 7 11 49 49 SER 1.256 1.757 1.442 4 2 6 50 50 TRP .760 .692 .712 4 10 14 51 51 THR .703 1.185 .940 4 3 7 52 52 VAL .586 .817 .694 4 3 7 53 53 ARG .821 .990 .932 4 7 11 54 54 MET .851 2.108 1.608 4 4 8 55 55 LYS .832 2.732 2.111 4 5 9 56 56 LYS .784 .700 .739 4 5 9 57 57 ARG 1.732 1.987 1.899 4 7 11 58 58 GLY 2.411 .000 2.411 4 0 4 59 59 GLU 1.591 4.812 3.740 4 5 9 60 60 LYS 1.372 5.146 3.943 4 5 9 61 61 VAL .947 1.678 1.311 4 3 7 62 62 PHE .955 1.813 1.557 4 7 11 63 63 LEU .606 .914 .775 4 4 8 64 64 THR .632 1.037 .830 4 3 7 65 65 VAL .696 1.397 1.055 4 3 7 66 66 GLY .464 .000 .464 4 0 4 67 67 TRP .452 .675 .619 4 10 14 68 68 GLU .734 1.284 1.075 4 5 9 69 69 ASN .407 .854 .669 4 4 8 70 70 PHE .488 1.234 1.028 4 7 11 71 71 VAL .897 .959 .924 4 3 7 72 72 LYS .979 2.253 1.802 4 5 9 73 73 ASP 1.029 1.499 1.286 4 4 8 74 74 ASN 1.297 1.818 1.579 4 4 8 75 75 ASN 1.481 2.487 2.047 4 4 8 76 76 LEU 1.096 1.520 1.325 4 4 8 77 77 GLU 1.064 1.795 1.514 4 5 9 78 78 ASP 1.094 1.684 1.420 4 4 8 79 79 GLY 1.031 .000 1.031 4 0 4 80 80 LYS .881 1.391 1.191 4 5 9 81 81 TYR .575 1.469 1.245 4 8 12 82 82 LEU .353 1.906 1.371 4 4 8 83 83 GLN .179 1.502 1.126 4 5 9 84 84 PHE .340 1.466 1.188 4 7 11 85 85 ILE .412 .400 .406 4 4 8 86 86 TYR .495 1.075 .923 4 8 12 87 87 ASP .845 1.662 1.318 4 4 8 88 88 ARG .782 1.724 1.454 4 7 11 89 89 ASP 1.329 1.876 1.625 4 4 8 90 90 ARG 1.615 2.502 2.221 4 7 11 91 91 THR .951 1.245 1.087 4 3 7 92 92 PHE .505 1.421 1.174 4 7 11 93 93 TYR .363 2.927 2.399 4 8 12 94 94 VAL .420 1.549 1.063 4 3 7 95 95 ILE .417 1.121 .846 4 4 8 96 96 ILE .656 1.998 1.487 4 4 8 97 97 TYR .907 2.045 1.749 4 8 12 98 98 GLY 1.510 .000 1.510 4 0 4 99 99 HIS 1.914 3.712 3.120 4 6 10 100 100 ASN 1.919 4.451 3.427 4 4 8 101 101 MET 3.199 2.275 2.776 4 4 8 102 102 CYS 6.106 6.738 6.366 3 2 5 ENDMDL Model RMS deviations: 1.4191 2.1873 1.8582 407 440 847 MODEL 4 1 1 MET 9.453 12.046 10.827 4 4 8 2 2 ALA 6.812 5.683 6.602 4 1 5 3 3 ASP 4.724 7.166 6.069 4 4 8 4 4 THR 2.812 4.624 3.699 4 3 7 5 5 GLY 1.690 .000 1.690 4 0 4 6 6 GLU 1.524 1.435 1.475 4 5 9 7 7 VAL 1.275 1.383 1.322 4 3 7 8 8 GLN 1.018 1.870 1.550 4 5 9 9 9 PHE .770 1.890 1.578 4 7 11 10 10 MET .769 1.429 1.147 4 4 8 11 11 LYS .741 1.722 1.375 4 5 9 12 12 PRO .787 .708 .754 4 3 7 13 13 PHE .870 1.537 1.333 4 7 11 14 14 ILE 1.178 1.871 1.564 4 4 8 15 15 SER 1.261 1.326 1.283 4 2 6 16 16 GLU 1.379 2.603 2.147 4 5 9 17 17 LYS .910 1.862 1.515 4 5 9 18 18 SER .981 1.604 1.224 4 2 6 19 19 SER 1.068 1.315 1.156 4 2 6 20 20 LYS .858 3.589 2.735 4 5 9 21 21 SER .501 .267 .437 4 2 6 22 22 LEU .392 .848 .660 4 4 8 23 23 GLU .835 1.428 1.201 4 5 9 24 24 ILE .883 .859 .871 4 4 8 25 25 PRO 1.075 1.079 1.076 4 3 7 26 26 LEU 1.460 2.101 1.809 4 4 8 27 27 GLY 1.798 .000 1.798 4 0 4 28 28 PHE 1.477 1.396 1.426 4 7 11 29 29 ASN 1.036 .948 .993 4 4 8 30 30 GLU 1.009 1.931 1.589 4 5 9 31 31 TYR 1.101 2.423 2.078 4 8 12 32 32 PHE .876 1.765 1.504 4 7 11 33 33 PRO .969 .826 .910 4 3 7 34 34 ALA .933 2.016 1.228 4 1 5 35 35 PRO .723 1.198 .956 4 3 7 36 36 PHE .252 2.257 1.807 4 7 11 37 37 PRO .342 .364 .351 4 3 7 38 38 ILE .382 .584 .494 4 4 8 39 39 THR .606 .464 .550 4 3 7 40 40 VAL .635 1.389 1.028 4 3 7 41 41 ASP .520 1.127 .878 4 4 8 42 42 LEU .476 1.218 .925 4 4 8 43 43 LEU .673 .559 .619 4 4 8 44 44 ASP 1.059 1.714 1.425 4 4 8 45 45 TYR 1.106 3.150 2.650 4 8 12 46 46 SER 1.598 .638 1.356 4 2 6 47 47 GLY .795 .000 .795 4 0 4 48 48 ARG .719 1.625 1.367 4 7 11 49 49 SER .742 .767 .751 4 2 6 50 50 TRP .804 .791 .794 4 10 14 51 51 THR .827 1.063 .935 4 3 7 52 52 VAL .711 1.071 .883 4 3 7 53 53 ARG .706 1.564 1.318 4 7 11 54 54 MET .547 1.243 .960 4 4 8 55 55 LYS .675 1.273 1.050 4 5 9 56 56 LYS .831 .711 .767 4 5 9 57 57 ARG 1.339 2.221 1.947 4 7 11 58 58 GLY 1.617 .000 1.617 4 0 4 59 59 GLU 1.585 1.571 1.578 4 5 9 60 60 LYS 1.343 1.679 1.539 4 5 9 61 61 VAL 1.035 .884 .973 4 3 7 62 62 PHE .527 1.382 1.147 4 7 11 63 63 LEU .504 .952 .762 4 4 8 64 64 THR .645 .934 .782 4 3 7 65 65 VAL .842 1.287 1.056 4 3 7 66 66 GLY .791 .000 .791 4 0 4 67 67 TRP .526 .322 .391 4 10 14 68 68 GLU .757 .866 .820 4 5 9 69 69 ASN .829 1.254 1.063 4 4 8 70 70 PHE .596 .824 .749 4 7 11 71 71 VAL .635 .632 .634 4 3 7 72 72 LYS .998 1.252 1.146 4 5 9 73 73 ASP 1.105 1.175 1.140 4 4 8 74 74 ASN 1.279 1.341 1.310 4 4 8 75 75 ASN 1.099 1.774 1.476 4 4 8 76 76 LEU .798 .920 .861 4 4 8 77 77 GLU .673 2.145 1.660 4 5 9 78 78 ASP .676 1.223 .988 4 4 8 79 79 GLY .606 .000 .606 4 0 4 80 80 LYS .326 1.222 .936 4 5 9 81 81 TYR .458 1.697 1.411 4 8 12 82 82 LEU .440 1.131 .858 4 4 8 83 83 GLN .598 1.275 1.030 4 5 9 84 84 PHE .840 1.404 1.230 4 7 11 85 85 ILE .974 1.003 .988 4 4 8 86 86 TYR 1.246 1.347 1.315 4 8 12 87 87 ASP 1.653 2.543 2.145 4 4 8 88 88 ARG 1.978 3.585 3.099 4 7 11 89 89 ASP 1.469 1.730 1.605 4 4 8 90 90 ARG 1.337 2.597 2.223 4 7 11 91 91 THR .975 1.189 1.072 4 3 7 92 92 PHE .639 1.040 .915 4 7 11 93 93 TYR .802 2.747 2.291 4 8 12 94 94 VAL .757 1.445 1.105 4 3 7 95 95 ILE .500 1.146 .884 4 4 8 96 96 ILE .367 1.590 1.154 4 4 8 97 97 TYR 1.102 2.294 1.978 4 8 12 98 98 GLY 3.338 .000 3.338 4 0 4 99 99 HIS 3.264 4.672 4.166 4 6 10 100 100 ASN 2.465 3.107 2.805 4 4 8 101 101 MET 4.566 7.768 6.371 4 4 8 102 102 CYS 4.275 6.005 5.039 3 2 5 ENDMDL Model RMS deviations: 1.7665 2.3985 2.1185 407 440 847 MODEL 5 1 1 MET 2.307 3.190 2.784 4 4 8 2 2 ALA 2.484 3.717 2.775 4 1 5 3 3 ASP 2.465 4.792 3.811 4 4 8 4 4 THR 1.260 2.350 1.809 4 3 7 5 5 GLY 1.369 .000 1.369 4 0 4 6 6 GLU 1.039 2.204 1.783 4 5 9 7 7 VAL .458 .473 .464 4 3 7 8 8 GLN .816 1.698 1.378 4 5 9 9 9 PHE 1.013 1.880 1.619 4 7 11 10 10 MET 1.160 1.775 1.500 4 4 8 11 11 LYS .999 2.069 1.680 4 5 9 12 12 PRO .797 1.175 .977 4 3 7 13 13 PHE .601 2.930 2.365 4 7 11 14 14 ILE .513 .908 .738 4 4 8 15 15 SER .978 1.111 1.024 4 2 6 16 16 GLU 1.001 1.062 1.035 4 5 9 17 17 LYS .838 1.891 1.516 4 5 9 18 18 SER .985 2.307 1.556 4 2 6 19 19 SER .773 1.042 .872 4 2 6 20 20 LYS .273 2.156 1.617 4 5 9 21 21 SER .283 .421 .335 4 2 6 22 22 LEU .390 .692 .562 4 4 8 23 23 GLU .303 .997 .770 4 5 9 24 24 ILE .480 .465 .472 4 4 8 25 25 PRO .678 .856 .759 4 3 7 26 26 LEU .746 1.107 .944 4 4 8 27 27 GLY .761 .000 .761 4 0 4 28 28 PHE .744 1.290 1.122 4 7 11 29 29 ASN .766 .984 .882 4 4 8 30 30 GLU 1.013 3.443 2.654 4 5 9 31 31 TYR .911 1.716 1.497 4 8 12 32 32 PHE .802 1.217 1.085 4 7 11 33 33 PRO .698 .642 .674 4 3 7 34 34 ALA 1.729 2.700 1.962 4 1 5 35 35 PRO 1.869 2.093 1.968 4 3 7 36 36 PHE 1.069 2.225 1.889 4 7 11 37 37 PRO .875 .925 .897 4 3 7 38 38 ILE .742 .717 .730 4 4 8 39 39 THR .269 .539 .407 4 3 7 40 40 VAL .161 1.080 .717 4 3 7 41 41 ASP .131 .762 .547 4 4 8 42 42 LEU .329 .935 .701 4 4 8 43 43 LEU .685 .639 .662 4 4 8 44 44 ASP .764 1.689 1.311 4 4 8 45 45 TYR 1.407 2.426 2.141 4 8 12 46 46 SER 1.149 1.461 1.262 4 2 6 47 47 GLY .417 .000 .417 4 0 4 48 48 ARG .465 2.776 2.232 4 7 11 49 49 SER .551 .518 .540 4 2 6 50 50 TRP .422 .852 .755 4 10 14 51 51 THR .356 .425 .387 4 3 7 52 52 VAL .299 .858 .606 4 3 7 53 53 ARG .309 1.798 1.447 4 7 11 54 54 MET .186 .899 .649 4 4 8 55 55 LYS .331 1.190 .914 4 5 9 56 56 LYS .595 .554 .572 4 5 9 57 57 ARG 1.015 1.854 1.601 4 7 11 58 58 GLY 1.198 .000 1.198 4 0 4 59 59 GLU .840 1.839 1.481 4 5 9 60 60 LYS .812 1.652 1.345 4 5 9 61 61 VAL .422 .500 .457 4 3 7 62 62 PHE .240 1.177 .950 4 7 11 63 63 LEU .416 1.067 .810 4 4 8 64 64 THR .255 .904 .622 4 3 7 65 65 VAL .290 .848 .597 4 3 7 66 66 GLY .299 .000 .299 4 0 4 67 67 TRP .248 .218 .227 4 10 14 68 68 GLU .327 1.432 1.089 4 5 9 69 69 ASN .533 .898 .738 4 4 8 70 70 PHE .465 1.020 .860 4 7 11 71 71 VAL .414 .210 .342 4 3 7 72 72 LYS .550 1.656 1.288 4 5 9 73 73 ASP .693 1.019 .871 4 4 8 74 74 ASN .634 1.504 1.154 4 4 8 75 75 ASN .731 1.304 1.057 4 4 8 76 76 LEU .683 1.112 .923 4 4 8 77 77 GLU .593 2.020 1.557 4 5 9 78 78 ASP .721 1.349 1.082 4 4 8 79 79 GLY .567 .000 .567 4 0 4 80 80 LYS .450 .793 .663 4 5 9 81 81 TYR .270 1.670 1.373 4 8 12 82 82 LEU .138 1.411 1.002 4 4 8 83 83 GLN .336 2.356 1.770 4 5 9 84 84 PHE .613 1.381 1.162 4 7 11 85 85 ILE .436 .607 .528 4 4 8 86 86 TYR .408 1.275 1.067 4 8 12 87 87 ASP .827 1.426 1.166 4 4 8 88 88 ARG .482 2.858 2.298 4 7 11 89 89 ASP .588 1.499 1.139 4 4 8 90 90 ARG .558 2.508 2.029 4 7 11 91 91 THR .572 1.658 1.168 4 3 7 92 92 PHE .358 .870 .727 4 7 11 93 93 TYR .355 2.309 1.896 4 8 12 94 94 VAL .234 1.256 .841 4 3 7 95 95 ILE .146 1.967 1.394 4 4 8 96 96 ILE .296 1.016 .749 4 4 8 97 97 TYR .458 1.308 1.100 4 8 12 98 98 GLY .881 .000 .881 4 0 4 99 99 HIS 1.938 4.088 3.395 4 6 10 100 100 ASN 3.986 5.002 4.523 4 4 8 101 101 MET 5.437 3.630 4.622 4 4 8 102 102 CYS 5.631 5.770 5.687 3 2 5 ENDMDL Model RMS deviations: 1.1710 1.8661 1.5709 407 440 847 MODEL 6 1 1 MET 5.248 4.885 5.069 4 4 8 2 2 ALA 3.551 5.308 3.965 4 1 5 3 3 ASP 2.944 2.993 2.968 4 4 8 4 4 THR 2.284 4.234 3.266 4 3 7 5 5 GLY .797 .000 .797 4 0 4 6 6 GLU .965 2.216 1.773 4 5 9 7 7 VAL .628 .814 .714 4 3 7 8 8 GLN .476 1.396 1.088 4 5 9 9 9 PHE .391 1.890 1.526 4 7 11 10 10 MET .416 2.134 1.538 4 4 8 11 11 LYS .366 2.952 2.214 4 5 9 12 12 PRO .341 .692 .521 4 3 7 13 13 PHE .344 1.851 1.491 4 7 11 14 14 ILE .220 .462 .362 4 4 8 15 15 SER .518 1.134 .780 4 2 6 16 16 GLU .512 1.722 1.328 4 5 9 17 17 LYS .565 1.490 1.172 4 5 9 18 18 SER .674 1.141 .858 4 2 6 19 19 SER .840 .960 .882 4 2 6 20 20 LYS .815 2.123 1.673 4 5 9 21 21 SER 1.017 1.236 1.095 4 2 6 22 22 LEU 1.436 1.969 1.723 4 4 8 23 23 GLU 1.590 1.749 1.681 4 5 9 24 24 ILE 1.783 1.683 1.733 4 4 8 25 25 PRO 1.982 1.963 1.974 4 3 7 26 26 LEU 2.121 2.278 2.201 4 4 8 27 27 GLY 2.116 .000 2.116 4 0 4 28 28 PHE 1.562 2.158 1.962 4 7 11 29 29 ASN .802 1.525 1.219 4 4 8 30 30 GLU .647 1.007 .866 4 5 9 31 31 TYR 1.759 3.305 2.883 4 8 12 32 32 PHE 1.928 1.801 1.848 4 7 11 33 33 PRO 3.540 4.005 3.746 4 3 7 34 34 ALA 3.843 5.399 4.200 4 1 5 35 35 PRO 2.257 2.450 2.342 4 3 7 36 36 PHE 1.157 3.382 2.787 4 7 11 37 37 PRO .632 .629 .630 4 3 7 38 38 ILE .612 .815 .721 4 4 8 39 39 THR .501 1.450 1.022 4 3 7 40 40 VAL .389 1.112 .785 4 3 7 41 41 ASP .350 .814 .626 4 4 8 42 42 LEU .466 1.264 .953 4 4 8 43 43 LEU .685 .799 .744 4 4 8 44 44 ASP .573 .643 .609 4 4 8 45 45 TYR 1.113 2.855 2.418 4 8 12 46 46 SER 1.597 1.919 1.711 4 2 6 47 47 GLY 1.177 .000 1.177 4 0 4 48 48 ARG .966 3.782 3.073 4 7 11 49 49 SER .706 .502 .645 4 2 6 50 50 TRP .562 .934 .845 4 10 14 51 51 THR .329 .261 .302 4 3 7 52 52 VAL .332 1.125 .778 4 3 7 53 53 ARG .315 1.605 1.294 4 7 11 54 54 MET .759 .789 .774 4 4 8 55 55 LYS .709 1.474 1.196 4 5 9 56 56 LYS .327 1.199 .920 4 5 9 57 57 ARG .727 2.234 1.835 4 7 11 58 58 GLY 1.100 .000 1.100 4 0 4 59 59 GLU 1.196 2.268 1.869 4 5 9 60 60 LYS 1.260 3.704 2.886 4 5 9 61 61 VAL 1.612 1.479 1.557 4 3 7 62 62 PHE 1.128 1.702 1.519 4 7 11 63 63 LEU 1.034 1.322 1.187 4 4 8 64 64 THR .371 .863 .631 4 3 7 65 65 VAL .350 1.231 .848 4 3 7 66 66 GLY .495 .000 .495 4 0 4 67 67 TRP .407 .731 .655 4 10 14 68 68 GLU .554 1.000 .832 4 5 9 69 69 ASN .645 .935 .803 4 4 8 70 70 PHE .455 .977 .827 4 7 11 71 71 VAL .518 .795 .651 4 3 7 72 72 LYS .649 1.217 1.005 4 5 9 73 73 ASP .727 1.628 1.260 4 4 8 74 74 ASN .642 .863 .760 4 4 8 75 75 ASN .320 .874 .658 4 4 8 76 76 LEU .290 .536 .431 4 4 8 77 77 GLU .315 1.613 1.221 4 5 9 78 78 ASP .345 1.645 1.189 4 4 8 79 79 GLY .359 .000 .359 4 0 4 80 80 LYS .411 .891 .718 4 5 9 81 81 TYR .332 1.049 .878 4 8 12 82 82 LEU .340 1.072 .795 4 4 8 83 83 GLN .316 1.206 .924 4 5 9 84 84 PHE .410 3.807 3.047 4 7 11 85 85 ILE .339 .814 .624 4 4 8 86 86 TYR .686 1.492 1.281 4 8 12 87 87 ASP 1.373 1.251 1.313 4 4 8 88 88 ARG .773 2.029 1.685 4 7 11 89 89 ASP .896 1.201 1.059 4 4 8 90 90 ARG .742 2.118 1.748 4 7 11 91 91 THR .923 1.746 1.339 4 3 7 92 92 PHE .850 2.437 2.010 4 7 11 93 93 TYR .490 1.917 1.591 4 8 12 94 94 VAL .445 1.170 .836 4 3 7 95 95 ILE .463 1.036 .803 4 4 8 96 96 ILE .530 1.240 .953 4 4 8 97 97 TYR .524 1.038 .900 4 8 12 98 98 GLY 1.391 .000 1.391 4 0 4 99 99 HIS 1.296 4.179 3.339 4 6 10 100 100 ASN 1.768 4.047 3.123 4 4 8 101 101 MET 2.407 4.316 3.495 4 4 8 102 102 CYS 3.618 4.368 3.935 3 2 5 ENDMDL Model RMS deviations: 1.3293 2.0922 1.7672 407 440 847 MODEL 7 1 1 MET 2.566 4.647 3.754 4 4 8 2 2 ALA 3.023 4.679 3.419 4 1 5 3 3 ASP 2.719 3.089 2.910 4 4 8 4 4 THR 3.002 4.502 3.720 4 3 7 5 5 GLY 1.434 .000 1.434 4 0 4 6 6 GLU 1.274 2.676 2.168 4 5 9 7 7 VAL .664 .690 .676 4 3 7 8 8 GLN .646 1.860 1.452 4 5 9 9 9 PHE .588 1.075 .928 4 7 11 10 10 MET .492 2.023 1.472 4 4 8 11 11 LYS .384 .847 .681 4 5 9 12 12 PRO .448 .400 .428 4 3 7 13 13 PHE .402 1.550 1.260 4 7 11 14 14 ILE .298 .425 .367 4 4 8 15 15 SER .612 1.153 .832 4 2 6 16 16 GLU .623 1.579 1.248 4 5 9 17 17 LYS .523 2.265 1.724 4 5 9 18 18 SER .386 1.557 .953 4 2 6 19 19 SER .184 .428 .289 4 2 6 20 20 LYS .214 2.397 1.793 4 5 9 21 21 SER .305 .581 .418 4 2 6 22 22 LEU .189 .743 .542 4 4 8 23 23 GLU .256 1.009 .771 4 5 9 24 24 ILE .355 .786 .610 4 4 8 25 25 PRO .525 .617 .566 4 3 7 26 26 LEU .895 1.185 1.050 4 4 8 27 27 GLY 1.036 .000 1.036 4 0 4 28 28 PHE .799 1.355 1.184 4 7 11 29 29 ASN .733 1.143 .960 4 4 8 30 30 GLU .633 1.956 1.518 4 5 9 31 31 TYR .977 .801 .864 4 8 12 32 32 PHE 1.046 1.117 1.091 4 7 11 33 33 PRO 1.703 1.814 1.752 4 3 7 34 34 ALA 2.080 2.889 2.265 4 1 5 35 35 PRO 1.013 1.110 1.055 4 3 7 36 36 PHE .456 2.299 1.855 4 7 11 37 37 PRO .679 1.193 .934 4 3 7 38 38 ILE .373 .424 .399 4 4 8 39 39 THR .228 .514 .378 4 3 7 40 40 VAL .293 .865 .608 4 3 7 41 41 ASP .301 1.134 .830 4 4 8 42 42 LEU .254 1.088 .790 4 4 8 43 43 LEU .364 .619 .508 4 4 8 44 44 ASP .485 1.141 .876 4 4 8 45 45 TYR .842 1.167 1.070 4 8 12 46 46 SER 1.431 1.949 1.622 4 2 6 47 47 GLY .355 .000 .355 4 0 4 48 48 ARG .237 2.039 1.633 4 7 11 49 49 SER .229 .418 .305 4 2 6 50 50 TRP .168 .233 .216 4 10 14 51 51 THR .118 .291 .210 4 3 7 52 52 VAL .366 .844 .618 4 3 7 53 53 ARG .459 2.323 1.874 4 7 11 54 54 MET .752 1.161 .978 4 4 8 55 55 LYS 1.007 1.447 1.270 4 5 9 56 56 LYS 1.893 2.406 2.193 4 5 9 57 57 ARG 1.774 3.595 3.061 4 7 11 58 58 GLY 1.602 .000 1.602 4 0 4 59 59 GLU 1.104 1.452 1.309 4 5 9 60 60 LYS .575 1.274 1.024 4 5 9 61 61 VAL .579 1.300 .957 4 3 7 62 62 PHE .282 1.339 1.082 4 7 11 63 63 LEU .293 .920 .683 4 4 8 64 64 THR .411 1.714 1.164 4 3 7 65 65 VAL .308 .968 .675 4 3 7 66 66 GLY .341 .000 .341 4 0 4 67 67 TRP .302 .414 .385 4 10 14 68 68 GLU .384 1.756 1.334 4 5 9 69 69 ASN .250 .925 .677 4 4 8 70 70 PHE .270 .842 .691 4 7 11 71 71 VAL .515 .704 .603 4 3 7 72 72 LYS .532 4.303 3.227 4 5 9 73 73 ASP .416 .728 .593 4 4 8 74 74 ASN .400 1.197 .892 4 4 8 75 75 ASN .445 .826 .663 4 4 8 76 76 LEU .589 1.279 .996 4 4 8 77 77 GLU .601 1.103 .915 4 5 9 78 78 ASP .651 1.510 1.163 4 4 8 79 79 GLY .495 .000 .495 4 0 4 80 80 LYS .342 1.043 .810 4 5 9 81 81 TYR .529 1.341 1.136 4 8 12 82 82 LEU .338 1.250 .916 4 4 8 83 83 GLN .421 1.327 1.028 4 5 9 84 84 PHE .502 1.033 .877 4 7 11 85 85 ILE .550 1.821 1.345 4 4 8 86 86 TYR .423 1.164 .981 4 8 12 87 87 ASP 1.064 1.247 1.160 4 4 8 88 88 ARG .945 3.493 2.844 4 7 11 89 89 ASP .683 .881 .788 4 4 8 90 90 ARG .317 2.987 2.390 4 7 11 91 91 THR .427 .873 .656 4 3 7 92 92 PHE .296 .909 .747 4 7 11 93 93 TYR .318 2.691 2.205 4 8 12 94 94 VAL .453 .928 .697 4 3 7 95 95 ILE .382 1.258 .930 4 4 8 96 96 ILE .525 1.765 1.302 4 4 8 97 97 TYR .857 .800 .819 4 8 12 98 98 GLY 1.446 .000 1.446 4 0 4 99 99 HIS 3.070 4.378 3.908 4 6 10 100 100 ASN 4.240 7.119 5.859 4 4 8 101 101 MET 2.890 2.276 2.601 4 4 8 102 102 CYS 3.988 4.040 4.009 3 2 5 ENDMDL Model RMS deviations: 1.1302 1.9358 1.6001 407 440 847 MODEL 8 1 1 MET 11.265 11.926 11.600 4 4 8 2 2 ALA 6.974 6.650 6.911 4 1 5 3 3 ASP 5.333 6.593 5.997 4 4 8 4 4 THR 2.979 3.372 3.153 4 3 7 5 5 GLY 1.836 .000 1.836 4 0 4 6 6 GLU 1.466 1.015 1.236 4 5 9 7 7 VAL 1.049 1.505 1.265 4 3 7 8 8 GLN .802 2.473 1.919 4 5 9 9 9 PHE .548 3.225 2.594 4 7 11 10 10 MET .696 1.722 1.313 4 4 8 11 11 LYS .547 .950 .796 4 5 9 12 12 PRO .655 1.211 .934 4 3 7 13 13 PHE .280 4.042 3.229 4 7 11 14 14 ILE .476 .666 .579 4 4 8 15 15 SER .527 1.650 1.045 4 2 6 16 16 GLU .506 1.682 1.298 4 5 9 17 17 LYS .598 2.331 1.782 4 5 9 18 18 SER .406 .891 .612 4 2 6 19 19 SER .870 .592 .788 4 2 6 20 20 LYS 1.146 4.579 3.497 4 5 9 21 21 SER .658 1.070 .818 4 2 6 22 22 LEU .509 1.412 1.061 4 4 8 23 23 GLU .929 1.286 1.141 4 5 9 24 24 ILE 1.537 1.900 1.728 4 4 8 25 25 PRO 1.669 1.433 1.572 4 3 7 26 26 LEU 1.991 2.081 2.037 4 4 8 27 27 GLY 1.960 .000 1.960 4 0 4 28 28 PHE 2.030 3.709 3.202 4 7 11 29 29 ASN 2.137 2.266 2.202 4 4 8 30 30 GLU 1.972 1.330 1.647 4 5 9 31 31 TYR 2.122 1.597 1.789 4 8 12 32 32 PHE 2.280 1.923 2.060 4 7 11 33 33 PRO 2.046 1.888 1.980 4 3 7 34 34 ALA 2.003 4.744 2.777 4 1 5 35 35 PRO 2.170 2.444 2.292 4 3 7 36 36 PHE 1.631 3.135 2.687 4 7 11 37 37 PRO 1.445 1.938 1.674 4 3 7 38 38 ILE .655 1.075 .890 4 4 8 39 39 THR .492 .532 .510 4 3 7 40 40 VAL .537 1.692 1.180 4 3 7 41 41 ASP .448 .701 .588 4 4 8 42 42 LEU .557 1.572 1.179 4 4 8 43 43 LEU .483 1.047 .815 4 4 8 44 44 ASP .349 1.140 .843 4 4 8 45 45 TYR .769 3.171 2.626 4 8 12 46 46 SER .783 1.077 .892 4 2 6 47 47 GLY .779 .000 .779 4 0 4 48 48 ARG .395 1.844 1.490 4 7 11 49 49 SER .497 .519 .504 4 2 6 50 50 TRP .729 .615 .650 4 10 14 51 51 THR 1.014 1.557 1.276 4 3 7 52 52 VAL .751 1.564 1.171 4 3 7 53 53 ARG .551 1.951 1.592 4 7 11 54 54 MET .364 1.012 .760 4 4 8 55 55 LYS .564 1.287 1.030 4 5 9 56 56 LYS 1.180 1.839 1.580 4 5 9 57 57 ARG 1.755 2.763 2.445 4 7 11 58 58 GLY 2.601 .000 2.601 4 0 4 59 59 GLU 2.546 3.617 3.186 4 5 9 60 60 LYS 1.690 2.130 1.947 4 5 9 61 61 VAL 1.127 1.849 1.480 4 3 7 62 62 PHE .663 1.434 1.212 4 7 11 63 63 LEU .500 1.269 .964 4 4 8 64 64 THR .478 .774 .623 4 3 7 65 65 VAL .757 1.347 1.051 4 3 7 66 66 GLY .767 .000 .767 4 0 4 67 67 TRP .696 .781 .757 4 10 14 68 68 GLU .673 1.879 1.471 4 5 9 69 69 ASN .653 .754 .705 4 4 8 70 70 PHE .525 1.149 .970 4 7 11 71 71 VAL .425 .497 .457 4 3 7 72 72 LYS .473 2.151 1.634 4 5 9 73 73 ASP .425 .729 .597 4 4 8 74 74 ASN .425 1.235 .923 4 4 8 75 75 ASN .518 1.074 .843 4 4 8 76 76 LEU .385 .648 .533 4 4 8 77 77 GLU .511 1.135 .912 4 5 9 78 78 ASP .750 1.110 .947 4 4 8 79 79 GLY .850 .000 .850 4 0 4 80 80 LYS .957 1.736 1.443 4 5 9 81 81 TYR .876 1.670 1.454 4 8 12 82 82 LEU .776 1.029 .911 4 4 8 83 83 GLN .597 1.351 1.082 4 5 9 84 84 PHE .519 1.103 .934 4 7 11 85 85 ILE .615 .707 .662 4 4 8 86 86 TYR .887 2.229 1.890 4 8 12 87 87 ASP 1.507 1.599 1.554 4 4 8 88 88 ARG 2.343 1.436 1.819 4 7 11 89 89 ASP 1.433 2.191 1.851 4 4 8 90 90 ARG .899 3.396 2.763 4 7 11 91 91 THR .760 1.238 .994 4 3 7 92 92 PHE .381 .899 .753 4 7 11 93 93 TYR .295 2.128 1.746 4 8 12 94 94 VAL .321 .782 .567 4 3 7 95 95 ILE .493 1.462 1.091 4 4 8 96 96 ILE 1.037 .912 .977 4 4 8 97 97 TYR 2.423 2.066 2.192 4 8 12 98 98 GLY 3.588 .000 3.588 4 0 4 99 99 HIS 3.486 7.363 6.115 4 6 10 100 100 ASN 3.407 4.427 3.950 4 4 8 101 101 MET 4.856 6.165 5.549 4 4 8 102 102 CYS 4.239 5.956 4.997 3 2 5 ENDMDL Model RMS deviations: 2.0103 2.6178 2.3456 407 440 847 MODEL 9 1 1 MET 5.643 9.256 7.665 4 4 8 2 2 ALA 4.567 5.620 4.796 4 1 5 3 3 ASP 3.153 4.379 3.815 4 4 8 4 4 THR 2.647 3.800 3.192 4 3 7 5 5 GLY 1.783 .000 1.783 4 0 4 6 6 GLU 1.713 1.735 1.726 4 5 9 7 7 VAL 1.409 1.569 1.480 4 3 7 8 8 GLN 1.140 2.677 2.136 4 5 9 9 9 PHE .873 1.694 1.450 4 7 11 10 10 MET .803 1.426 1.157 4 4 8 11 11 LYS .401 .782 .641 4 5 9 12 12 PRO .737 1.067 .894 4 3 7 13 13 PHE .570 2.028 1.654 4 7 11 14 14 ILE .427 1.254 .937 4 4 8 15 15 SER .783 1.695 1.169 4 2 6 16 16 GLU .925 2.159 1.723 4 5 9 17 17 LYS .436 1.641 1.257 4 5 9 18 18 SER .312 1.348 .819 4 2 6 19 19 SER .628 1.317 .917 4 2 6 20 20 LYS .504 1.671 1.290 4 5 9 21 21 SER .278 .460 .349 4 2 6 22 22 LEU .277 .788 .591 4 4 8 23 23 GLU .310 2.216 1.664 4 5 9 24 24 ILE .487 .702 .604 4 4 8 25 25 PRO .653 .890 .763 4 3 7 26 26 LEU .493 1.089 .845 4 4 8 27 27 GLY .551 .000 .551 4 0 4 28 28 PHE .792 1.600 1.363 4 7 11 29 29 ASN .598 .499 .551 4 4 8 30 30 GLU .563 1.210 .977 4 5 9 31 31 TYR .424 1.668 1.384 4 8 12 32 32 PHE .461 1.044 .878 4 7 11 33 33 PRO .470 .444 .459 4 3 7 34 34 ALA 1.009 1.708 1.183 4 1 5 35 35 PRO 2.037 2.163 2.092 4 3 7 36 36 PHE 1.478 2.377 2.095 4 7 11 37 37 PRO 1.338 1.973 1.641 4 3 7 38 38 ILE .619 1.169 .935 4 4 8 39 39 THR .354 .839 .611 4 3 7 40 40 VAL .624 1.587 1.141 4 3 7 41 41 ASP 1.153 2.131 1.713 4 4 8 42 42 LEU 1.149 1.105 1.127 4 4 8 43 43 LEU 1.075 1.856 1.517 4 4 8 44 44 ASP .888 3.044 2.242 4 4 8 45 45 TYR 2.700 1.330 1.900 4 8 12 46 46 SER 2.808 3.417 3.025 4 2 6 47 47 GLY 2.302 .000 2.302 4 0 4 48 48 ARG 1.642 3.382 2.874 4 7 11 49 49 SER .693 .845 .747 4 2 6 50 50 TRP .721 .680 .692 4 10 14 51 51 THR .691 .939 .807 4 3 7 52 52 VAL .538 1.139 .849 4 3 7 53 53 ARG .552 1.950 1.591 4 7 11 54 54 MET .727 1.592 1.238 4 4 8 55 55 LYS .507 2.181 1.660 4 5 9 56 56 LYS .461 .594 .539 4 5 9 57 57 ARG .610 1.626 1.348 4 7 11 58 58 GLY .645 .000 .645 4 0 4 59 59 GLU .689 2.284 1.763 4 5 9 60 60 LYS .838 1.316 1.129 4 5 9 61 61 VAL .644 .757 .694 4 3 7 62 62 PHE .539 1.245 1.045 4 7 11 63 63 LEU .397 .911 .703 4 4 8 64 64 THR .713 .915 .806 4 3 7 65 65 VAL .865 1.378 1.114 4 3 7 66 66 GLY .938 .000 .938 4 0 4 67 67 TRP .669 .591 .614 4 10 14 68 68 GLU .482 2.049 1.561 4 5 9 69 69 ASN .528 .747 .647 4 4 8 70 70 PHE .566 1.355 1.134 4 7 11 71 71 VAL .481 .438 .463 4 3 7 72 72 LYS .463 2.895 2.180 4 5 9 73 73 ASP .878 .980 .930 4 4 8 74 74 ASN 1.280 2.215 1.809 4 4 8 75 75 ASN .791 1.141 .982 4 4 8 76 76 LEU .620 1.555 1.184 4 4 8 77 77 GLU .471 2.261 1.714 4 5 9 78 78 ASP .206 1.537 1.097 4 4 8 79 79 GLY .137 .000 .137 4 0 4 80 80 LYS .825 1.151 1.019 4 5 9 81 81 TYR .966 3.762 3.122 4 8 12 82 82 LEU .909 1.134 1.028 4 4 8 83 83 GLN .982 2.358 1.876 4 5 9 84 84 PHE 1.076 1.438 1.318 4 7 11 85 85 ILE 1.150 1.474 1.322 4 4 8 86 86 TYR 1.345 1.454 1.419 4 8 12 87 87 ASP 1.516 2.047 1.801 4 4 8 88 88 ARG 2.463 3.522 3.178 4 7 11 89 89 ASP 1.931 2.112 2.023 4 4 8 90 90 ARG 1.968 3.570 3.085 4 7 11 91 91 THR 1.486 1.819 1.637 4 3 7 92 92 PHE 1.031 1.411 1.286 4 7 11 93 93 TYR .865 2.609 2.188 4 8 12 94 94 VAL .510 1.662 1.155 4 3 7 95 95 ILE .233 1.080 .781 4 4 8 96 96 ILE .401 2.029 1.462 4 4 8 97 97 TYR .813 1.719 1.480 4 8 12 98 98 GLY 1.590 .000 1.590 4 0 4 99 99 HIS 2.560 3.123 2.911 4 6 10 100 100 ASN 3.471 5.569 4.640 4 4 8 101 101 MET 3.370 4.853 4.178 4 4 8 102 102 CYS 3.660 4.579 4.053 3 2 5 ENDMDL Model RMS deviations: 1.4369 2.2438 1.8993 407 440 847 MODEL 10 1 1 MET 5.178 5.678 5.434 4 4 8 2 2 ALA 3.151 1.387 2.886 4 1 5 3 3 ASP 4.757 7.041 6.008 4 4 8 4 4 THR 4.371 4.796 4.558 4 3 7 5 5 GLY 2.197 .000 2.197 4 0 4 6 6 GLU 1.089 2.960 2.323 4 5 9 7 7 VAL .636 .528 .592 4 3 7 8 8 GLN .758 1.020 .913 4 5 9 9 9 PHE .751 2.184 1.801 4 7 11 10 10 MET 1.636 2.345 2.022 4 4 8 11 11 LYS 1.758 2.399 2.138 4 5 9 12 12 PRO 1.807 2.631 2.199 4 3 7 13 13 PHE 1.277 4.567 3.724 4 7 11 14 14 ILE 1.280 1.609 1.454 4 4 8 15 15 SER 1.327 .932 1.210 4 2 6 16 16 GLU 1.779 3.160 2.637 4 5 9 17 17 LYS 1.178 2.850 2.265 4 5 9 18 18 SER .744 .727 .739 4 2 6 19 19 SER 1.171 1.412 1.257 4 2 6 20 20 LYS .937 1.980 1.603 4 5 9 21 21 SER .602 1.368 .930 4 2 6 22 22 LEU .536 1.293 .990 4 4 8 23 23 GLU 1.278 2.880 2.310 4 5 9 24 24 ILE 1.358 .979 1.184 4 4 8 25 25 PRO 1.730 1.918 1.813 4 3 7 26 26 LEU 2.038 2.323 2.185 4 4 8 27 27 GLY 2.076 .000 2.076 4 0 4 28 28 PHE 1.364 1.449 1.419 4 7 11 29 29 ASN 1.424 1.810 1.628 4 4 8 30 30 GLU 2.063 5.227 4.131 4 5 9 31 31 TYR 1.324 1.771 1.636 4 8 12 32 32 PHE .896 1.385 1.230 4 7 11 33 33 PRO 1.248 1.456 1.341 4 3 7 34 34 ALA 2.976 5.607 3.657 4 1 5 35 35 PRO 1.717 1.650 1.689 4 3 7 36 36 PHE 1.002 3.120 2.561 4 7 11 37 37 PRO 1.192 1.555 1.360 4 3 7 38 38 ILE .806 1.283 1.072 4 4 8 39 39 THR .979 1.384 1.170 4 3 7 40 40 VAL .759 1.199 .972 4 3 7 41 41 ASP .729 1.313 1.062 4 4 8 42 42 LEU .811 1.340 1.107 4 4 8 43 43 LEU .522 1.622 1.205 4 4 8 44 44 ASP .564 1.479 1.119 4 4 8 45 45 TYR 1.301 3.612 3.043 4 8 12 46 46 SER 1.635 3.301 2.327 4 2 6 47 47 GLY 1.281 .000 1.281 4 0 4 48 48 ARG 1.486 1.659 1.599 4 7 11 49 49 SER 1.530 1.463 1.508 4 2 6 50 50 TRP 1.210 1.464 1.396 4 10 14 51 51 THR 1.165 1.249 1.202 4 3 7 52 52 VAL .879 1.497 1.184 4 3 7 53 53 ARG .621 1.846 1.519 4 7 11 54 54 MET .541 2.150 1.568 4 4 8 55 55 LYS .910 1.335 1.166 4 5 9 56 56 LYS 1.627 1.051 1.338 4 5 9 57 57 ARG 2.355 5.586 4.677 4 7 11 58 58 GLY 1.631 .000 1.631 4 0 4 59 59 GLU 1.343 3.259 2.589 4 5 9 60 60 LYS 1.731 2.233 2.025 4 5 9 61 61 VAL 1.562 2.423 1.978 4 3 7 62 62 PHE 1.044 1.521 1.367 4 7 11 63 63 LEU .561 1.241 .963 4 4 8 64 64 THR .606 .682 .640 4 3 7 65 65 VAL .555 .959 .755 4 3 7 66 66 GLY .654 .000 .654 4 0 4 67 67 TRP .685 .585 .615 4 10 14 68 68 GLU .786 1.600 1.303 4 5 9 69 69 ASN .711 .835 .775 4 4 8 70 70 PHE .729 1.172 1.033 4 7 11 71 71 VAL .843 .885 .861 4 3 7 72 72 LYS 1.028 2.208 1.783 4 5 9 73 73 ASP 1.049 1.106 1.078 4 4 8 74 74 ASN .837 2.264 1.706 4 4 8 75 75 ASN 1.060 1.343 1.210 4 4 8 76 76 LEU 1.018 1.416 1.233 4 4 8 77 77 GLU 1.325 1.554 1.457 4 5 9 78 78 ASP 1.932 2.033 1.983 4 4 8 79 79 GLY 1.623 .000 1.623 4 0 4 80 80 LYS 1.629 2.088 1.898 4 5 9 81 81 TYR 1.639 2.242 2.061 4 8 12 82 82 LEU 1.258 1.966 1.650 4 4 8 83 83 GLN .832 1.439 1.208 4 5 9 84 84 PHE .443 1.009 .848 4 7 11 85 85 ILE .502 .900 .728 4 4 8 86 86 TYR .516 1.184 1.011 4 8 12 87 87 ASP 1.147 1.476 1.322 4 4 8 88 88 ARG 1.236 1.989 1.753 4 7 11 89 89 ASP .667 1.242 .997 4 4 8 90 90 ARG .544 2.548 2.059 4 7 11 91 91 THR .482 .726 .599 4 3 7 92 92 PHE .499 1.295 1.076 4 7 11 93 93 TYR .418 2.698 2.216 4 8 12 94 94 VAL .422 1.295 .906 4 3 7 95 95 ILE .949 1.558 1.290 4 4 8 96 96 ILE 1.233 1.261 1.247 4 4 8 97 97 TYR 1.322 2.329 2.049 4 8 12 98 98 GLY 2.326 .000 2.326 4 0 4 99 99 HIS 3.362 5.435 4.717 4 6 10 100 100 ASN 4.875 6.221 5.589 4 4 8 101 101 MET 6.471 6.847 6.661 4 4 8 102 102 CYS 7.331 8.219 7.698 3 2 5 ENDMDL Model RMS deviations: 1.8421 2.6032 2.2695 407 440 847 MODEL 11 1 1 MET 3.463 4.283 3.894 4 4 8 2 2 ALA 1.965 2.314 2.039 4 1 5 3 3 ASP 2.639 5.171 4.105 4 4 8 4 4 THR 2.592 3.377 2.954 4 3 7 5 5 GLY 1.126 .000 1.126 4 0 4 6 6 GLU 1.801 2.570 2.261 4 5 9 7 7 VAL 1.811 2.217 1.995 4 3 7 8 8 GLN 1.529 1.881 1.733 4 5 9 9 9 PHE .768 1.352 1.174 4 7 11 10 10 MET .657 1.675 1.272 4 4 8 11 11 LYS .994 1.334 1.195 4 5 9 12 12 PRO 1.463 2.336 1.887 4 3 7 13 13 PHE 1.065 3.132 2.580 4 7 11 14 14 ILE .357 .830 .639 4 4 8 15 15 SER .383 1.457 .897 4 2 6 16 16 GLU .324 1.218 .933 4 5 9 17 17 LYS .319 1.932 1.455 4 5 9 18 18 SER .154 .818 .489 4 2 6 19 19 SER .249 .823 .517 4 2 6 20 20 LYS .396 3.001 2.252 4 5 9 21 21 SER .180 .548 .349 4 2 6 22 22 LEU .264 .726 .546 4 4 8 23 23 GLU .214 .917 .698 4 5 9 24 24 ILE .245 .747 .556 4 4 8 25 25 PRO .596 1.223 .919 4 3 7 26 26 LEU .660 1.194 .965 4 4 8 27 27 GLY 1.149 .000 1.149 4 0 4 28 28 PHE 1.312 3.118 2.610 4 7 11 29 29 ASN .989 .909 .950 4 4 8 30 30 GLU 1.241 1.520 1.403 4 5 9 31 31 TYR 1.769 4.134 3.527 4 8 12 32 32 PHE 2.140 2.858 2.620 4 7 11 33 33 PRO 3.094 3.876 3.451 4 3 7 34 34 ALA 3.160 4.562 3.486 4 1 5 35 35 PRO 1.407 2.174 1.777 4 3 7 36 36 PHE .990 1.871 1.607 4 7 11 37 37 PRO .964 1.274 1.108 4 3 7 38 38 ILE .513 .711 .620 4 4 8 39 39 THR .848 1.411 1.124 4 3 7 40 40 VAL .751 1.200 .969 4 3 7 41 41 ASP .535 .971 .784 4 4 8 42 42 LEU .534 1.673 1.242 4 4 8 43 43 LEU .647 .681 .664 4 4 8 44 44 ASP .997 1.898 1.516 4 4 8 45 45 TYR 2.213 3.597 3.203 4 8 12 46 46 SER 2.693 3.716 3.072 4 2 6 47 47 GLY 1.053 .000 1.053 4 0 4 48 48 ARG .880 2.472 2.042 4 7 11 49 49 SER .689 .887 .761 4 2 6 50 50 TRP .654 .328 .446 4 10 14 51 51 THR .387 .308 .356 4 3 7 52 52 VAL .404 .937 .685 4 3 7 53 53 ARG .458 1.761 1.431 4 7 11 54 54 MET .971 1.309 1.152 4 4 8 55 55 LYS .479 2.216 1.682 4 5 9 56 56 LYS .485 1.054 .849 4 5 9 57 57 ARG 1.250 2.547 2.167 4 7 11 58 58 GLY 1.747 .000 1.747 4 0 4 59 59 GLU 1.527 2.962 2.431 4 5 9 60 60 LYS 1.214 1.407 1.325 4 5 9 61 61 VAL .618 .855 .729 4 3 7 62 62 PHE .381 1.094 .902 4 7 11 63 63 LEU .428 1.032 .790 4 4 8 64 64 THR .498 .918 .709 4 3 7 65 65 VAL .725 1.064 .886 4 3 7 66 66 GLY .773 .000 .773 4 0 4 67 67 TRP .814 .692 .729 4 10 14 68 68 GLU .925 2.715 2.116 4 5 9 69 69 ASN .466 1.048 .811 4 4 8 70 70 PHE .377 1.316 1.074 4 7 11 71 71 VAL .559 1.046 .805 4 3 7 72 72 LYS .350 1.864 1.409 4 5 9 73 73 ASP .466 .939 .741 4 4 8 74 74 ASN .767 1.420 1.141 4 4 8 75 75 ASN .998 2.111 1.651 4 4 8 76 76 LEU .901 1.178 1.049 4 4 8 77 77 GLU .401 2.624 1.974 4 5 9 78 78 ASP .510 1.939 1.418 4 4 8 79 79 GLY .573 .000 .573 4 0 4 80 80 LYS .637 1.765 1.383 4 5 9 81 81 TYR .323 1.360 1.126 4 8 12 82 82 LEU .299 1.574 1.133 4 4 8 83 83 GLN .509 1.062 .861 4 5 9 84 84 PHE .950 1.242 1.145 4 7 11 85 85 ILE .709 1.089 .919 4 4 8 86 86 TYR .989 3.094 2.590 4 8 12 87 87 ASP 1.711 5.231 3.892 4 4 8 88 88 ARG 1.845 7.757 6.288 4 7 11 89 89 ASP 1.088 1.167 1.128 4 4 8 90 90 ARG .461 1.909 1.548 4 7 11 91 91 THR .674 1.719 1.235 4 3 7 92 92 PHE .502 2.124 1.721 4 7 11 93 93 TYR .383 4.136 3.384 4 8 12 94 94 VAL .168 1.071 .713 4 3 7 95 95 ILE .604 2.077 1.529 4 4 8 96 96 ILE 1.391 1.804 1.611 4 4 8 97 97 TYR 1.019 1.601 1.434 4 8 12 98 98 GLY 2.553 .000 2.553 4 0 4 99 99 HIS 1.922 4.813 3.921 4 6 10 100 100 ASN 3.048 5.423 4.399 4 4 8 101 101 MET 2.944 1.476 2.329 4 4 8 102 102 CYS 4.344 6.044 5.092 3 2 5 ENDMDL Model RMS deviations: 1.3207 2.4882 2.0135 407 440 847 MODEL 12 1 1 MET 3.369 2.855 3.123 4 4 8 2 2 ALA 3.195 4.226 3.426 4 1 5 3 3 ASP 1.767 2.380 2.096 4 4 8 4 4 THR 2.640 4.550 3.585 4 3 7 5 5 GLY 1.047 .000 1.047 4 0 4 6 6 GLU 1.397 1.695 1.570 4 5 9 7 7 VAL 1.806 2.200 1.984 4 3 7 8 8 GLN 1.507 1.580 1.548 4 5 9 9 9 PHE .899 2.979 2.437 4 7 11 10 10 MET .373 1.046 .785 4 4 8 11 11 LYS .566 .834 .727 4 5 9 12 12 PRO .576 .957 .763 4 3 7 13 13 PHE .504 1.948 1.584 4 7 11 14 14 ILE .319 .682 .533 4 4 8 15 15 SER .471 1.248 .817 4 2 6 16 16 GLU .680 .975 .856 4 5 9 17 17 LYS .572 .889 .764 4 5 9 18 18 SER .364 1.623 .983 4 2 6 19 19 SER .393 .906 .614 4 2 6 20 20 LYS .333 2.335 1.755 4 5 9 21 21 SER .217 .454 .317 4 2 6 22 22 LEU .293 .916 .680 4 4 8 23 23 GLU .266 1.769 1.330 4 5 9 24 24 ILE .593 .958 .797 4 4 8 25 25 PRO .587 .689 .633 4 3 7 26 26 LEU 1.034 1.714 1.416 4 4 8 27 27 GLY 1.245 .000 1.245 4 0 4 28 28 PHE 1.419 2.558 2.212 4 7 11 29 29 ASN 1.519 1.592 1.556 4 4 8 30 30 GLU 1.955 3.771 3.098 4 5 9 31 31 TYR 1.804 1.938 1.894 4 8 12 32 32 PHE 1.006 1.638 1.441 4 7 11 33 33 PRO 2.760 3.221 2.967 4 3 7 34 34 ALA 3.466 5.312 3.906 4 1 5 35 35 PRO 2.134 1.843 2.014 4 3 7 36 36 PHE 1.517 1.786 1.693 4 7 11 37 37 PRO 1.157 1.231 1.189 4 3 7 38 38 ILE 1.156 1.243 1.200 4 4 8 39 39 THR .665 .863 .756 4 3 7 40 40 VAL .514 1.289 .929 4 3 7 41 41 ASP .567 2.173 1.588 4 4 8 42 42 LEU .528 1.451 1.092 4 4 8 43 43 LEU .939 .571 .777 4 4 8 44 44 ASP 1.258 2.554 2.013 4 4 8 45 45 TYR 1.931 2.729 2.492 4 8 12 46 46 SER 1.994 1.906 1.965 4 2 6 47 47 GLY 1.693 .000 1.693 4 0 4 48 48 ARG 1.311 2.186 1.914 4 7 11 49 49 SER .998 1.522 1.198 4 2 6 50 50 TRP .387 .397 .395 4 10 14 51 51 THR .491 .758 .620 4 3 7 52 52 VAL .553 .974 .762 4 3 7 53 53 ARG .987 3.031 2.490 4 7 11 54 54 MET 1.268 1.683 1.490 4 4 8 55 55 LYS 1.062 2.320 1.868 4 5 9 56 56 LYS 1.197 1.439 1.337 4 5 9 57 57 ARG 1.032 1.591 1.413 4 7 11 58 58 GLY 1.300 .000 1.300 4 0 4 59 59 GLU 1.272 2.536 2.072 4 5 9 60 60 LYS .916 1.613 1.349 4 5 9 61 61 VAL .900 .986 .938 4 3 7 62 62 PHE .741 2.611 2.131 4 7 11 63 63 LEU .506 1.213 .929 4 4 8 64 64 THR .504 1.124 .829 4 3 7 65 65 VAL .578 1.673 1.179 4 3 7 66 66 GLY .443 .000 .443 4 0 4 67 67 TRP .379 .293 .320 4 10 14 68 68 GLU .405 1.859 1.412 4 5 9 69 69 ASN .379 .524 .457 4 4 8 70 70 PHE .465 1.210 1.005 4 7 11 71 71 VAL .592 .518 .562 4 3 7 72 72 LYS .454 2.598 1.960 4 5 9 73 73 ASP .610 1.391 1.074 4 4 8 74 74 ASN 1.026 2.191 1.711 4 4 8 75 75 ASN 1.096 1.688 1.423 4 4 8 76 76 LEU .877 1.338 1.131 4 4 8 77 77 GLU .614 1.945 1.506 4 5 9 78 78 ASP .669 1.126 .926 4 4 8 79 79 GLY .704 .000 .704 4 0 4 80 80 LYS .668 1.164 .976 4 5 9 81 81 TYR .572 1.270 1.088 4 8 12 82 82 LEU .653 1.303 1.031 4 4 8 83 83 GLN .802 1.308 1.112 4 5 9 84 84 PHE 1.019 1.589 1.408 4 7 11 85 85 ILE .927 1.273 1.113 4 4 8 86 86 TYR 1.351 2.499 2.185 4 8 12 87 87 ASP 2.066 3.347 2.781 4 4 8 88 88 ARG .947 4.122 3.337 4 7 11 89 89 ASP 1.209 1.626 1.433 4 4 8 90 90 ARG 1.241 4.440 3.620 4 7 11 91 91 THR .635 1.448 1.063 4 3 7 92 92 PHE .586 1.238 1.049 4 7 11 93 93 TYR .491 1.915 1.589 4 8 12 94 94 VAL .567 1.600 1.131 4 3 7 95 95 ILE .507 1.235 .944 4 4 8 96 96 ILE .555 .892 .743 4 4 8 97 97 TYR .807 .833 .825 4 8 12 98 98 GLY 1.245 .000 1.245 4 0 4 99 99 HIS 2.410 4.555 3.843 4 6 10 100 100 ASN 1.173 3.301 2.477 4 4 8 101 101 MET 3.798 3.632 3.716 4 4 8 102 102 CYS 6.107 6.509 6.271 3 2 5 ENDMDL Model RMS deviations: 1.3755 2.1242 1.8037 407 440 847 MODEL 13 1 1 MET 6.709 9.937 8.478 4 4 8 2 2 ALA 4.843 3.882 4.667 4 1 5 3 3 ASP 4.423 6.743 5.702 4 4 8 4 4 THR 3.990 2.609 3.466 4 3 7 5 5 GLY 4.859 .000 4.859 4 0 4 6 6 GLU 4.349 5.791 5.200 4 5 9 7 7 VAL 2.402 2.835 2.597 4 3 7 8 8 GLN 1.085 1.010 1.044 4 5 9 9 9 PHE .763 2.110 1.745 4 7 11 10 10 MET .944 2.163 1.669 4 4 8 11 11 LYS 1.073 1.837 1.545 4 5 9 12 12 PRO 1.047 1.059 1.052 4 3 7 13 13 PHE 1.039 1.858 1.609 4 7 11 14 14 ILE .720 .932 .833 4 4 8 15 15 SER 1.019 1.587 1.238 4 2 6 16 16 GLU 1.044 1.769 1.491 4 5 9 17 17 LYS .732 1.287 1.076 4 5 9 18 18 SER .899 1.481 1.127 4 2 6 19 19 SER 1.088 .921 1.035 4 2 6 20 20 LYS .757 3.097 2.363 4 5 9 21 21 SER .715 .776 .736 4 2 6 22 22 LEU .637 1.080 .887 4 4 8 23 23 GLU .713 .880 .810 4 5 9 24 24 ILE .939 1.250 1.105 4 4 8 25 25 PRO 1.477 1.974 1.708 4 3 7 26 26 LEU 1.796 2.068 1.937 4 4 8 27 27 GLY 2.582 .000 2.582 4 0 4 28 28 PHE 2.027 2.101 2.074 4 7 11 29 29 ASN .810 1.172 1.008 4 4 8 30 30 GLU .327 1.822 1.375 4 5 9 31 31 TYR 1.080 4.614 3.818 4 8 12 32 32 PHE 1.091 1.378 1.281 4 7 11 33 33 PRO 1.811 2.296 2.033 4 3 7 34 34 ALA 2.358 3.114 2.527 4 1 5 35 35 PRO 2.038 2.064 2.049 4 3 7 36 36 PHE 1.618 2.526 2.239 4 7 11 37 37 PRO .951 1.198 1.064 4 3 7 38 38 ILE .666 1.096 .907 4 4 8 39 39 THR .478 1.243 .890 4 3 7 40 40 VAL .453 1.285 .908 4 3 7 41 41 ASP .613 1.554 1.181 4 4 8 42 42 LEU .428 1.212 .909 4 4 8 43 43 LEU .517 .786 .665 4 4 8 44 44 ASP .429 1.088 .827 4 4 8 45 45 TYR .521 3.307 2.717 4 8 12 46 46 SER .612 .808 .684 4 2 6 47 47 GLY .880 .000 .880 4 0 4 48 48 ARG .457 3.172 2.545 4 7 11 49 49 SER .382 1.662 1.009 4 2 6 50 50 TRP .201 .370 .330 4 10 14 51 51 THR .215 .356 .285 4 3 7 52 52 VAL .327 .834 .599 4 3 7 53 53 ARG .502 1.632 1.337 4 7 11 54 54 MET .993 1.049 1.021 4 4 8 55 55 LYS .895 1.213 1.083 4 5 9 56 56 LYS 1.191 1.219 1.207 4 5 9 57 57 ARG 1.146 1.603 1.453 4 7 11 58 58 GLY 1.655 .000 1.655 4 0 4 59 59 GLU 1.257 2.924 2.335 4 5 9 60 60 LYS .627 1.602 1.265 4 5 9 61 61 VAL .532 .727 .623 4 3 7 62 62 PHE .665 1.053 .931 4 7 11 63 63 LEU .470 1.136 .870 4 4 8 64 64 THR .367 .776 .579 4 3 7 65 65 VAL .245 .898 .616 4 3 7 66 66 GLY .320 .000 .320 4 0 4 67 67 TRP .368 .820 .720 4 10 14 68 68 GLU .369 .961 .758 4 5 9 69 69 ASN .326 1.156 .849 4 4 8 70 70 PHE .366 .806 .679 4 7 11 71 71 VAL .642 .764 .696 4 3 7 72 72 LYS .607 3.760 2.832 4 5 9 73 73 ASP .393 .515 .458 4 4 8 74 74 ASN .574 1.054 .849 4 4 8 75 75 ASN .646 1.125 .917 4 4 8 76 76 LEU .496 1.172 .900 4 4 8 77 77 GLU .677 1.805 1.419 4 5 9 78 78 ASP 1.082 1.741 1.449 4 4 8 79 79 GLY 1.720 .000 1.720 4 0 4 80 80 LYS 1.579 1.829 1.722 4 5 9 81 81 TYR 1.431 2.097 1.901 4 8 12 82 82 LEU .990 1.932 1.535 4 4 8 83 83 GLN .648 2.295 1.764 4 5 9 84 84 PHE .719 1.606 1.352 4 7 11 85 85 ILE 1.198 .701 .981 4 4 8 86 86 TYR 1.860 4.557 3.873 4 8 12 87 87 ASP 2.254 4.964 3.855 4 4 8 88 88 ARG 3.439 7.848 6.595 4 7 11 89 89 ASP 1.836 5.282 3.954 4 4 8 90 90 ARG .635 2.265 1.847 4 7 11 91 91 THR .376 .954 .686 4 3 7 92 92 PHE .368 1.138 .935 4 7 11 93 93 TYR .486 3.033 2.492 4 8 12 94 94 VAL .559 1.098 .834 4 3 7 95 95 ILE .844 1.055 .956 4 4 8 96 96 ILE 1.102 1.711 1.439 4 4 8 97 97 TYR 1.365 1.285 1.313 4 8 12 98 98 GLY 1.395 .000 1.395 4 0 4 99 99 HIS 2.866 4.269 3.771 4 6 10 100 100 ASN 5.026 7.692 6.497 4 4 8 101 101 MET 8.787 9.724 9.268 4 4 8 102 102 CYS 10.201 11.931 10.926 3 2 5 ENDMDL Model RMS deviations: 2.1054 2.9834 2.5988 407 440 847 MODEL 14 1 1 MET 5.383 8.173 6.920 4 4 8 2 2 ALA 3.357 2.874 3.266 4 1 5 3 3 ASP 2.024 4.474 3.472 4 4 8 4 4 THR 1.421 2.926 2.196 4 3 7 5 5 GLY 1.496 .000 1.496 4 0 4 6 6 GLU .846 1.495 1.249 4 5 9 7 7 VAL .559 1.014 .787 4 3 7 8 8 GLN .276 2.122 1.592 4 5 9 9 9 PHE .338 3.122 2.499 4 7 11 10 10 MET .965 3.300 2.431 4 4 8 11 11 LYS .669 1.615 1.283 4 5 9 12 12 PRO 1.028 2.360 1.729 4 3 7 13 13 PHE 1.152 4.965 4.021 4 7 11 14 14 ILE .216 .995 .720 4 4 8 15 15 SER .282 .753 .492 4 2 6 16 16 GLU .477 1.892 1.445 4 5 9 17 17 LYS .528 1.918 1.472 4 5 9 18 18 SER .589 .784 .660 4 2 6 19 19 SER .532 .456 .508 4 2 6 20 20 LYS .734 4.096 3.092 4 5 9 21 21 SER .784 .742 .770 4 2 6 22 22 LEU .155 1.093 .781 4 4 8 23 23 GLU .391 1.097 .858 4 5 9 24 24 ILE 1.053 1.227 1.143 4 4 8 25 25 PRO 1.716 1.757 1.734 4 3 7 26 26 LEU 2.190 2.422 2.309 4 4 8 27 27 GLY 2.439 .000 2.439 4 0 4 28 28 PHE 2.017 1.715 1.831 4 7 11 29 29 ASN 1.678 1.952 1.820 4 4 8 30 30 GLU 1.930 3.168 2.689 4 5 9 31 31 TYR 2.097 1.983 2.022 4 8 12 32 32 PHE 1.469 1.206 1.308 4 7 11 33 33 PRO 1.286 1.537 1.399 4 3 7 34 34 ALA 1.922 2.878 2.148 4 1 5 35 35 PRO 1.876 2.542 2.186 4 3 7 36 36 PHE 1.221 3.506 2.892 4 7 11 37 37 PRO .989 1.523 1.246 4 3 7 38 38 ILE .774 1.430 1.150 4 4 8 39 39 THR .971 1.580 1.268 4 3 7 40 40 VAL .769 1.392 1.081 4 3 7 41 41 ASP .658 2.048 1.521 4 4 8 42 42 LEU .710 .876 .797 4 4 8 43 43 LEU .905 .543 .746 4 4 8 44 44 ASP .919 1.606 1.308 4 4 8 45 45 TYR 1.160 2.344 2.028 4 8 12 46 46 SER 1.083 1.015 1.061 4 2 6 47 47 GLY 1.669 .000 1.669 4 0 4 48 48 ARG 1.203 2.325 1.992 4 7 11 49 49 SER 1.119 1.309 1.185 4 2 6 50 50 TRP .987 .981 .983 4 10 14 51 51 THR .955 1.399 1.166 4 3 7 52 52 VAL .814 1.137 .966 4 3 7 53 53 ARG .635 1.123 .974 4 7 11 54 54 MET .928 1.250 1.101 4 4 8 55 55 LYS 1.052 2.177 1.768 4 5 9 56 56 LYS 1.479 1.312 1.389 4 5 9 57 57 ARG 1.646 3.684 3.102 4 7 11 58 58 GLY 1.678 .000 1.678 4 0 4 59 59 GLU 1.210 3.075 2.430 4 5 9 60 60 LYS 1.082 2.124 1.739 4 5 9 61 61 VAL .853 1.029 .933 4 3 7 62 62 PHE .723 2.467 2.016 4 7 11 63 63 LEU .591 1.137 .906 4 4 8 64 64 THR .471 1.224 .877 4 3 7 65 65 VAL .604 1.546 1.110 4 3 7 66 66 GLY .670 .000 .670 4 0 4 67 67 TRP .750 .701 .715 4 10 14 68 68 GLU .987 1.128 1.068 4 5 9 69 69 ASN .849 1.147 1.009 4 4 8 70 70 PHE .774 1.145 1.026 4 7 11 71 71 VAL .871 .984 .921 4 3 7 72 72 LYS .793 2.166 1.699 4 5 9 73 73 ASP .901 1.215 1.070 4 4 8 74 74 ASN 1.072 .836 .961 4 4 8 75 75 ASN .905 1.122 1.019 4 4 8 76 76 LEU .628 1.472 1.132 4 4 8 77 77 GLU .459 2.008 1.528 4 5 9 78 78 ASP .646 1.477 1.140 4 4 8 79 79 GLY .582 .000 .582 4 0 4 80 80 LYS .635 1.106 .927 4 5 9 81 81 TYR .583 3.660 3.008 4 8 12 82 82 LEU 1.060 1.859 1.513 4 4 8 83 83 GLN .912 1.861 1.514 4 5 9 84 84 PHE .459 1.377 1.133 4 7 11 85 85 ILE .470 .662 .574 4 4 8 86 86 TYR .409 1.047 .887 4 8 12 87 87 ASP .997 1.152 1.077 4 4 8 88 88 ARG .810 1.304 1.149 4 7 11 89 89 ASP .594 1.699 1.273 4 4 8 90 90 ARG .944 4.054 3.283 4 7 11 91 91 THR .542 .598 .567 4 3 7 92 92 PHE .507 .993 .849 4 7 11 93 93 TYR .494 2.100 1.738 4 8 12 94 94 VAL .390 1.362 .939 4 3 7 95 95 ILE .709 1.382 1.098 4 4 8 96 96 ILE .681 1.181 .964 4 4 8 97 97 TYR .862 .905 .891 4 8 12 98 98 GLY 1.062 .000 1.062 4 0 4 99 99 HIS 2.670 2.415 2.520 4 6 10 100 100 ASN 2.650 4.730 3.833 4 4 8 101 101 MET 3.106 4.267 3.732 4 4 8 102 102 CYS 4.452 5.887 5.075 3 2 5 ENDMDL Model RMS deviations: 1.3562 2.3110 1.9126 407 440 847 MODEL 15 1 1 MET 7.540 8.473 8.020 4 4 8 2 2 ALA 6.114 7.091 6.322 4 1 5 3 3 ASP 3.144 2.657 2.911 4 4 8 4 4 THR 3.081 4.974 4.003 4 3 7 5 5 GLY 2.308 .000 2.308 4 0 4 6 6 GLU 1.564 1.329 1.438 4 5 9 7 7 VAL 1.426 1.715 1.557 4 3 7 8 8 GLN 1.428 1.266 1.341 4 5 9 9 9 PHE 1.104 2.193 1.872 4 7 11 10 10 MET 1.043 1.179 1.113 4 4 8 11 11 LYS .956 1.544 1.316 4 5 9 12 12 PRO 1.111 1.541 1.312 4 3 7 13 13 PHE 1.627 5.536 4.524 4 7 11 14 14 ILE .471 .543 .508 4 4 8 15 15 SER .344 1.124 .707 4 2 6 16 16 GLU .271 1.014 .777 4 5 9 17 17 LYS .268 1.237 .939 4 5 9 18 18 SER .465 1.256 .818 4 2 6 19 19 SER .502 1.185 .797 4 2 6 20 20 LYS .390 1.868 1.417 4 5 9 21 21 SER .415 .802 .574 4 2 6 22 22 LEU .346 .725 .568 4 4 8 23 23 GLU .153 2.726 2.034 4 5 9 24 24 ILE .472 .954 .753 4 4 8 25 25 PRO .588 .611 .598 4 3 7 26 26 LEU .815 1.071 .952 4 4 8 27 27 GLY 1.007 .000 1.007 4 0 4 28 28 PHE 1.044 1.165 1.122 4 7 11 29 29 ASN .908 .911 .910 4 4 8 30 30 GLU .818 1.832 1.470 4 5 9 31 31 TYR .876 1.543 1.357 4 8 12 32 32 PHE .487 1.077 .908 4 7 11 33 33 PRO .777 1.068 .913 4 3 7 34 34 ALA 1.334 2.371 1.596 4 1 5 35 35 PRO .547 .640 .589 4 3 7 36 36 PHE .613 2.112 1.725 4 7 11 37 37 PRO .282 .805 .568 4 3 7 38 38 ILE .575 .876 .741 4 4 8 39 39 THR .659 .773 .710 4 3 7 40 40 VAL .621 1.248 .942 4 3 7 41 41 ASP .383 1.054 .793 4 4 8 42 42 LEU .276 1.358 .980 4 4 8 43 43 LEU .854 .879 .867 4 4 8 44 44 ASP 1.310 2.706 2.126 4 4 8 45 45 TYR 1.582 1.761 1.703 4 8 12 46 46 SER 1.931 2.750 2.238 4 2 6 47 47 GLY 1.557 .000 1.557 4 0 4 48 48 ARG .784 1.985 1.652 4 7 11 49 49 SER .706 .835 .752 4 2 6 50 50 TRP .449 .322 .363 4 10 14 51 51 THR .623 .852 .730 4 3 7 52 52 VAL .462 .968 .724 4 3 7 53 53 ARG .401 2.793 2.241 4 7 11 54 54 MET .437 1.165 .880 4 4 8 55 55 LYS .476 1.475 1.145 4 5 9 56 56 LYS .894 1.187 1.067 4 5 9 57 57 ARG .434 3.148 2.525 4 7 11 58 58 GLY 1.200 .000 1.200 4 0 4 59 59 GLU 2.127 3.322 2.853 4 5 9 60 60 LYS 1.636 2.486 2.150 4 5 9 61 61 VAL .994 1.208 1.091 4 3 7 62 62 PHE .502 1.347 1.117 4 7 11 63 63 LEU .489 1.513 1.124 4 4 8 64 64 THR .550 1.823 1.264 4 3 7 65 65 VAL .528 1.376 .985 4 3 7 66 66 GLY .574 .000 .574 4 0 4 67 67 TRP .554 .593 .582 4 10 14 68 68 GLU .518 1.158 .930 4 5 9 69 69 ASN .536 1.037 .825 4 4 8 70 70 PHE .454 .724 .639 4 7 11 71 71 VAL .464 .492 .476 4 3 7 72 72 LYS .483 3.344 2.513 4 5 9 73 73 ASP .480 1.248 .945 4 4 8 74 74 ASN .603 1.042 .851 4 4 8 75 75 ASN .645 .674 .659 4 4 8 76 76 LEU .471 .918 .730 4 4 8 77 77 GLU .435 1.166 .916 4 5 9 78 78 ASP .999 2.749 2.068 4 4 8 79 79 GLY 1.151 .000 1.151 4 0 4 80 80 LYS 1.042 1.170 1.115 4 5 9 81 81 TYR .989 2.737 2.307 4 8 12 82 82 LEU .945 1.371 1.177 4 4 8 83 83 GLN .954 .963 .959 4 5 9 84 84 PHE 1.120 1.872 1.639 4 7 11 85 85 ILE 1.025 1.613 1.351 4 4 8 86 86 TYR 1.272 1.747 1.604 4 8 12 87 87 ASP 1.067 1.514 1.309 4 4 8 88 88 ARG 1.789 3.833 3.242 4 7 11 89 89 ASP .771 1.232 1.028 4 4 8 90 90 ARG .360 4.231 3.382 4 7 11 91 91 THR .898 2.020 1.487 4 3 7 92 92 PHE .975 1.680 1.463 4 7 11 93 93 TYR 1.098 2.432 2.085 4 8 12 94 94 VAL .946 1.359 1.142 4 3 7 95 95 ILE .827 1.020 .928 4 4 8 96 96 ILE .583 1.917 1.417 4 4 8 97 97 TYR .681 .857 .802 4 8 12 98 98 GLY 1.105 .000 1.105 4 0 4 99 99 HIS 2.215 2.493 2.386 4 6 10 100 100 ASN 3.498 5.563 4.647 4 4 8 101 101 MET 5.833 7.767 6.868 4 4 8 102 102 CYS 7.355 7.424 7.383 3 2 5 ENDMDL Model RMS deviations: 1.6776 2.3663 2.0643 407 440 847 MODEL 16 1 1 MET 12.028 13.389 12.727 4 4 8 2 2 ALA 8.542 8.830 8.600 4 1 5 3 3 ASP 4.667 5.751 5.237 4 4 8 4 4 THR 3.373 2.072 2.888 4 3 7 5 5 GLY 4.302 .000 4.302 4 0 4 6 6 GLU 2.651 4.378 3.711 4 5 9 7 7 VAL 1.292 1.109 1.217 4 3 7 8 8 GLN .881 1.819 1.477 4 5 9 9 9 PHE .872 1.655 1.421 4 7 11 10 10 MET 1.670 2.987 2.420 4 4 8 11 11 LYS 1.823 2.466 2.203 4 5 9 12 12 PRO 1.808 3.007 2.397 4 3 7 13 13 PHE .641 3.837 3.085 4 7 11 14 14 ILE .734 .922 .833 4 4 8 15 15 SER .785 .918 .832 4 2 6 16 16 GLU .844 1.191 1.051 4 5 9 17 17 LYS 1.273 2.706 2.188 4 5 9 18 18 SER 1.509 1.680 1.568 4 2 6 19 19 SER 1.407 1.323 1.379 4 2 6 20 20 LYS 1.535 1.246 1.382 4 5 9 21 21 SER .976 1.526 1.188 4 2 6 22 22 LEU 1.014 1.473 1.265 4 4 8 23 23 GLU .619 2.031 1.569 4 5 9 24 24 ILE .834 .987 .914 4 4 8 25 25 PRO .972 .986 .978 4 3 7 26 26 LEU 1.109 1.416 1.272 4 4 8 27 27 GLY 1.171 .000 1.171 4 0 4 28 28 PHE .936 1.026 .994 4 7 11 29 29 ASN .639 2.310 1.695 4 4 8 30 30 GLU .557 1.291 1.032 4 5 9 31 31 TYR .506 1.851 1.540 4 8 12 32 32 PHE .776 1.157 1.035 4 7 11 33 33 PRO 1.521 1.811 1.651 4 3 7 34 34 ALA 2.240 3.116 2.441 4 1 5 35 35 PRO 1.441 1.230 1.355 4 3 7 36 36 PHE 1.277 2.641 2.244 4 7 11 37 37 PRO 1.311 1.888 1.584 4 3 7 38 38 ILE 1.211 1.311 1.262 4 4 8 39 39 THR 1.476 1.547 1.507 4 3 7 40 40 VAL 1.324 1.763 1.528 4 3 7 41 41 ASP 1.226 1.805 1.543 4 4 8 42 42 LEU 1.099 1.514 1.323 4 4 8 43 43 LEU .924 .923 .924 4 4 8 44 44 ASP .625 1.156 .929 4 4 8 45 45 TYR .559 2.409 1.993 4 8 12 46 46 SER .613 .993 .761 4 2 6 47 47 GLY 1.495 .000 1.495 4 0 4 48 48 ARG 1.436 1.275 1.336 4 7 11 49 49 SER 1.795 1.887 1.826 4 2 6 50 50 TRP 1.559 1.450 1.482 4 10 14 51 51 THR 1.723 2.154 1.919 4 3 7 52 52 VAL 1.260 1.698 1.464 4 3 7 53 53 ARG .797 2.486 2.040 4 7 11 54 54 MET .716 1.013 .877 4 4 8 55 55 LYS .821 .856 .840 4 5 9 56 56 LYS .875 1.982 1.588 4 5 9 57 57 ARG 1.289 1.785 1.622 4 7 11 58 58 GLY 1.969 .000 1.969 4 0 4 59 59 GLU 1.961 3.630 3.005 4 5 9 60 60 LYS .856 1.571 1.302 4 5 9 61 61 VAL .435 .817 .628 4 3 7 62 62 PHE 1.168 2.895 2.415 4 7 11 63 63 LEU 1.320 2.570 2.043 4 4 8 64 64 THR .683 1.730 1.245 4 3 7 65 65 VAL .944 1.266 1.094 4 3 7 66 66 GLY 1.559 .000 1.559 4 0 4 67 67 TRP 1.489 1.487 1.488 4 10 14 68 68 GLU 1.527 2.300 1.994 4 5 9 69 69 ASN 1.642 2.048 1.856 4 4 8 70 70 PHE 1.666 1.480 1.550 4 7 11 71 71 VAL 1.833 2.105 1.954 4 3 7 72 72 LYS 1.605 2.672 2.261 4 5 9 73 73 ASP 1.656 2.047 1.862 4 4 8 74 74 ASN 1.596 1.724 1.661 4 4 8 75 75 ASN 1.348 1.347 1.348 4 4 8 76 76 LEU .865 1.530 1.243 4 4 8 77 77 GLU .614 1.639 1.288 4 5 9 78 78 ASP .920 1.289 1.120 4 4 8 79 79 GLY 1.134 .000 1.134 4 0 4 80 80 LYS .949 1.303 1.159 4 5 9 81 81 TYR .523 1.846 1.537 4 8 12 82 82 LEU 1.085 1.925 1.563 4 4 8 83 83 GLN .973 2.393 1.898 4 5 9 84 84 PHE .548 1.158 .981 4 7 11 85 85 ILE .656 1.018 .856 4 4 8 86 86 TYR 1.031 .958 .983 4 8 12 87 87 ASP 1.420 2.560 2.070 4 4 8 88 88 ARG 1.707 2.263 2.078 4 7 11 89 89 ASP 1.889 2.321 2.116 4 4 8 90 90 ARG 1.703 4.409 3.664 4 7 11 91 91 THR 1.308 2.158 1.725 4 3 7 92 92 PHE .950 1.536 1.353 4 7 11 93 93 TYR .652 2.299 1.915 4 8 12 94 94 VAL .655 1.406 1.045 4 3 7 95 95 ILE .553 1.920 1.413 4 4 8 96 96 ILE 1.292 1.480 1.389 4 4 8 97 97 TYR 1.346 1.495 1.447 4 8 12 98 98 GLY 1.882 .000 1.882 4 0 4 99 99 HIS 1.801 5.065 4.085 4 6 10 100 100 ASN 3.029 2.914 2.972 4 4 8 101 101 MET 6.571 9.289 8.046 4 4 8 102 102 CYS 7.846 7.723 7.797 3 2 5 ENDMDL Model RMS deviations: 2.2627 2.7252 2.5136 407 440 847 MODEL 17 1 1 MET 7.819 10.439 9.222 4 4 8 2 2 ALA 4.562 3.581 4.383 4 1 5 3 3 ASP 4.218 6.704 5.601 4 4 8 4 4 THR 3.839 2.957 3.488 4 3 7 5 5 GLY 4.011 .000 4.011 4 0 4 6 6 GLU 2.814 5.588 4.568 4 5 9 7 7 VAL 1.604 1.799 1.690 4 3 7 8 8 GLN 1.438 1.280 1.352 4 5 9 9 9 PHE 1.071 1.790 1.567 4 7 11 10 10 MET .813 2.063 1.568 4 4 8 11 11 LYS .805 1.308 1.113 4 5 9 12 12 PRO .733 .920 .818 4 3 7 13 13 PHE .595 2.908 2.348 4 7 11 14 14 ILE .532 .718 .632 4 4 8 15 15 SER .882 1.137 .975 4 2 6 16 16 GLU 1.243 2.172 1.819 4 5 9 17 17 LYS .603 1.530 1.209 4 5 9 18 18 SER .422 .953 .649 4 2 6 19 19 SER .634 1.018 .783 4 2 6 20 20 LYS .513 1.645 1.273 4 5 9 21 21 SER .628 1.176 .851 4 2 6 22 22 LEU .593 1.047 .851 4 4 8 23 23 GLU .780 2.044 1.610 4 5 9 24 24 ILE .484 .755 .634 4 4 8 25 25 PRO .480 .873 .677 4 3 7 26 26 LEU .628 1.212 .965 4 4 8 27 27 GLY .844 .000 .844 4 0 4 28 28 PHE .625 1.409 1.185 4 7 11 29 29 ASN .610 1.346 1.045 4 4 8 30 30 GLU .664 2.671 2.039 4 5 9 31 31 TYR .685 1.546 1.323 4 8 12 32 32 PHE .969 1.242 1.151 4 7 11 33 33 PRO 1.462 1.423 1.445 4 3 7 34 34 ALA 1.815 3.995 2.414 4 1 5 35 35 PRO 2.050 3.029 2.517 4 3 7 36 36 PHE .974 2.761 2.279 4 7 11 37 37 PRO .523 .613 .563 4 3 7 38 38 ILE .226 .416 .335 4 4 8 39 39 THR .251 .422 .335 4 3 7 40 40 VAL .162 1.101 .731 4 3 7 41 41 ASP .322 1.145 .841 4 4 8 42 42 LEU .439 .805 .648 4 4 8 43 43 LEU .940 .965 .953 4 4 8 44 44 ASP 1.361 1.422 1.392 4 4 8 45 45 TYR 1.751 2.743 2.457 4 8 12 46 46 SER 1.751 1.769 1.757 4 2 6 47 47 GLY 1.151 .000 1.151 4 0 4 48 48 ARG .602 3.864 3.104 4 7 11 49 49 SER .227 .648 .417 4 2 6 50 50 TRP .152 .307 .272 4 10 14 51 51 THR .170 .365 .271 4 3 7 52 52 VAL .165 1.148 .762 4 3 7 53 53 ARG .246 1.554 1.248 4 7 11 54 54 MET .315 1.330 .966 4 4 8 55 55 LYS .561 2.096 1.607 4 5 9 56 56 LYS 1.405 1.595 1.514 4 5 9 57 57 ARG 1.776 2.842 2.507 4 7 11 58 58 GLY 1.875 .000 1.875 4 0 4 59 59 GLU 1.499 1.995 1.792 4 5 9 60 60 LYS 1.269 1.064 1.160 4 5 9 61 61 VAL .772 1.079 .916 4 3 7 62 62 PHE .560 1.755 1.440 4 7 11 63 63 LEU .218 1.423 1.018 4 4 8 64 64 THR .296 1.285 .870 4 3 7 65 65 VAL .189 1.207 .803 4 3 7 66 66 GLY .208 .000 .208 4 0 4 67 67 TRP .317 .428 .399 4 10 14 68 68 GLU .431 1.104 .872 4 5 9 69 69 ASN .200 .612 .455 4 4 8 70 70 PHE .264 .903 .738 4 7 11 71 71 VAL .298 1.993 1.324 4 3 7 72 72 LYS .324 3.659 2.736 4 5 9 73 73 ASP .344 .865 .658 4 4 8 74 74 ASN .219 1.451 1.038 4 4 8 75 75 ASN .374 1.056 .792 4 4 8 76 76 LEU .571 1.091 .871 4 4 8 77 77 GLU .674 1.793 1.410 4 5 9 78 78 ASP .669 1.823 1.373 4 4 8 79 79 GLY .726 .000 .726 4 0 4 80 80 LYS .396 .690 .578 4 5 9 81 81 TYR .511 .855 .758 4 8 12 82 82 LEU .808 1.627 1.285 4 4 8 83 83 GLN .950 1.293 1.153 4 5 9 84 84 PHE .985 1.708 1.486 4 7 11 85 85 ILE 1.078 1.974 1.590 4 4 8 86 86 TYR 1.192 1.977 1.754 4 8 12 87 87 ASP 1.784 1.912 1.849 4 4 8 88 88 ARG 1.804 3.431 2.946 4 7 11 89 89 ASP 1.149 1.677 1.438 4 4 8 90 90 ARG .981 1.997 1.699 4 7 11 91 91 THR .985 1.133 1.051 4 3 7 92 92 PHE .885 1.281 1.153 4 7 11 93 93 TYR .830 3.043 2.530 4 8 12 94 94 VAL .987 1.710 1.346 4 3 7 95 95 ILE .919 1.819 1.441 4 4 8 96 96 ILE .747 1.284 1.050 4 4 8 97 97 TYR 1.117 1.777 1.588 4 8 12 98 98 GLY 2.065 .000 2.065 4 0 4 99 99 HIS 3.397 5.281 4.620 4 6 10 100 100 ASN 1.809 2.923 2.431 4 4 8 101 101 MET 1.043 3.159 2.352 4 4 8 102 102 CYS 2.958 3.491 3.182 3 2 5 ENDMDL Model RMS deviations: 1.5409 2.3324 1.9917 407 440 847 MODEL 18 1 1 MET 11.566 13.959 12.819 4 4 8 2 2 ALA 7.800 8.795 8.009 4 1 5 3 3 ASP 4.025 4.857 4.460 4 4 8 4 4 THR 1.877 4.080 3.024 4 3 7 5 5 GLY 1.639 .000 1.639 4 0 4 6 6 GLU 1.673 2.838 2.391 4 5 9 7 7 VAL 1.260 1.108 1.198 4 3 7 8 8 GLN 1.048 1.133 1.096 4 5 9 9 9 PHE .766 1.366 1.183 4 7 11 10 10 MET .802 1.481 1.191 4 4 8 11 11 LYS .759 1.992 1.569 4 5 9 12 12 PRO .865 1.480 1.169 4 3 7 13 13 PHE .478 3.825 3.065 4 7 11 14 14 ILE .623 .935 .794 4 4 8 15 15 SER 1.123 1.563 1.287 4 2 6 16 16 GLU 1.164 2.793 2.222 4 5 9 17 17 LYS .663 2.537 1.942 4 5 9 18 18 SER .515 1.113 .768 4 2 6 19 19 SER .995 .645 .894 4 2 6 20 20 LYS 1.134 3.447 2.678 4 5 9 21 21 SER 1.007 1.609 1.240 4 2 6 22 22 LEU 1.027 1.037 1.032 4 4 8 23 23 GLU 1.295 2.218 1.865 4 5 9 24 24 ILE 1.127 1.465 1.307 4 4 8 25 25 PRO 1.127 .749 .983 4 3 7 26 26 LEU 1.385 2.111 1.785 4 4 8 27 27 GLY 1.478 .000 1.478 4 0 4 28 28 PHE 1.744 2.139 2.004 4 7 11 29 29 ASN 1.719 1.727 1.723 4 4 8 30 30 GLU 1.936 3.285 2.768 4 5 9 31 31 TYR 1.588 2.092 1.939 4 8 12 32 32 PHE 1.025 1.837 1.590 4 7 11 33 33 PRO .834 .705 .782 4 3 7 34 34 ALA .902 1.859 1.159 4 1 5 35 35 PRO .818 .910 .859 4 3 7 36 36 PHE .881 1.437 1.263 4 7 11 37 37 PRO 1.216 1.347 1.274 4 3 7 38 38 ILE 1.319 1.450 1.386 4 4 8 39 39 THR 1.309 1.335 1.320 4 3 7 40 40 VAL 1.062 1.716 1.381 4 3 7 41 41 ASP .956 1.294 1.137 4 4 8 42 42 LEU .968 1.486 1.254 4 4 8 43 43 LEU 1.092 1.171 1.132 4 4 8 44 44 ASP 1.420 1.404 1.412 4 4 8 45 45 TYR 2.040 3.811 3.327 4 8 12 46 46 SER 2.213 2.563 2.336 4 2 6 47 47 GLY 1.617 .000 1.617 4 0 4 48 48 ARG .876 2.583 2.127 4 7 11 49 49 SER .815 1.071 .908 4 2 6 50 50 TRP .767 .522 .602 4 10 14 51 51 THR .692 1.069 .874 4 3 7 52 52 VAL .384 1.125 .792 4 3 7 53 53 ARG .544 1.563 1.289 4 7 11 54 54 MET .736 1.234 1.016 4 4 8 55 55 LYS .725 1.237 1.041 4 5 9 56 56 LYS .371 .471 .429 4 5 9 57 57 ARG .604 3.305 2.662 4 7 11 58 58 GLY .939 .000 .939 4 0 4 59 59 GLU 1.009 2.478 1.966 4 5 9 60 60 LYS .486 1.937 1.479 4 5 9 61 61 VAL .832 1.037 .926 4 3 7 62 62 PHE 1.074 1.904 1.651 4 7 11 63 63 LEU .983 1.623 1.342 4 4 8 64 64 THR .814 1.433 1.122 4 3 7 65 65 VAL .650 1.744 1.243 4 3 7 66 66 GLY .614 .000 .614 4 0 4 67 67 TRP .517 .510 .512 4 10 14 68 68 GLU .785 1.243 1.064 4 5 9 69 69 ASN .707 .829 .770 4 4 8 70 70 PHE .530 1.170 .986 4 7 11 71 71 VAL .582 .611 .595 4 3 7 72 72 LYS .539 2.345 1.785 4 5 9 73 73 ASP .728 1.110 .939 4 4 8 74 74 ASN .879 1.125 1.009 4 4 8 75 75 ASN .395 1.034 .783 4 4 8 76 76 LEU .368 .906 .692 4 4 8 77 77 GLU .842 1.479 1.237 4 5 9 78 78 ASP 1.036 1.448 1.259 4 4 8 79 79 GLY 1.033 .000 1.033 4 0 4 80 80 LYS .979 1.297 1.166 4 5 9 81 81 TYR .949 1.001 .984 4 8 12 82 82 LEU .917 1.759 1.403 4 4 8 83 83 GLN .959 1.418 1.235 4 5 9 84 84 PHE .971 1.549 1.368 4 7 11 85 85 ILE 1.152 1.273 1.214 4 4 8 86 86 TYR 1.615 5.137 4.297 4 8 12 87 87 ASP 2.503 4.432 3.599 4 4 8 88 88 ARG 2.982 2.481 2.674 4 7 11 89 89 ASP 2.621 3.217 2.934 4 4 8 90 90 ARG 1.753 2.445 2.218 4 7 11 91 91 THR 1.032 .787 .935 4 3 7 92 92 PHE 1.086 1.879 1.636 4 7 11 93 93 TYR 1.008 3.084 2.585 4 8 12 94 94 VAL .936 .971 .951 4 3 7 95 95 ILE .934 2.075 1.609 4 4 8 96 96 ILE .573 1.214 .949 4 4 8 97 97 TYR .591 1.554 1.314 4 8 12 98 98 GLY 1.439 .000 1.439 4 0 4 99 99 HIS 4.091 7.264 6.193 4 6 10 100 100 ASN 4.498 6.990 5.878 4 4 8 101 101 MET 3.093 5.008 4.162 4 4 8 102 102 CYS 5.374 6.003 5.634 3 2 5 ENDMDL Model RMS deviations: 2.0023 2.7966 2.4473 407 440 847 MODEL 19 1 1 MET 2.029 4.519 3.502 4 4 8 2 2 ALA 3.000 3.134 3.027 4 1 5 3 3 ASP 1.868 4.813 3.651 4 4 8 4 4 THR 1.240 3.686 2.589 4 3 7 5 5 GLY 2.054 .000 2.054 4 0 4 6 6 GLU .970 1.535 1.314 4 5 9 7 7 VAL 1.186 1.598 1.378 4 3 7 8 8 GLN 1.561 2.235 1.965 4 5 9 9 9 PHE 1.131 1.422 1.324 4 7 11 10 10 MET .805 1.504 1.206 4 4 8 11 11 LYS .723 1.937 1.522 4 5 9 12 12 PRO .383 .534 .454 4 3 7 13 13 PHE .530 2.692 2.171 4 7 11 14 14 ILE .611 1.037 .851 4 4 8 15 15 SER .860 1.350 1.049 4 2 6 16 16 GLU 1.209 2.548 2.063 4 5 9 17 17 LYS 1.137 3.388 2.637 4 5 9 18 18 SER 1.032 1.222 1.099 4 2 6 19 19 SER .889 2.511 1.621 4 2 6 20 20 LYS .718 2.968 2.263 4 5 9 21 21 SER .665 .675 .668 4 2 6 22 22 LEU .578 1.492 1.131 4 4 8 23 23 GLU .402 2.435 1.835 4 5 9 24 24 ILE .745 .892 .822 4 4 8 25 25 PRO .980 1.096 1.031 4 3 7 26 26 LEU .959 1.369 1.182 4 4 8 27 27 GLY 1.373 .000 1.373 4 0 4 28 28 PHE 1.506 1.521 1.516 4 7 11 29 29 ASN 1.163 .889 1.035 4 4 8 30 30 GLU 1.230 1.694 1.506 4 5 9 31 31 TYR 2.314 2.112 2.181 4 8 12 32 32 PHE 2.301 1.767 1.978 4 7 11 33 33 PRO 2.967 3.380 3.151 4 3 7 34 34 ALA 3.088 4.220 3.345 4 1 5 35 35 PRO 1.481 1.695 1.576 4 3 7 36 36 PHE .863 1.713 1.462 4 7 11 37 37 PRO .807 1.235 1.012 4 3 7 38 38 ILE .272 .719 .543 4 4 8 39 39 THR .262 1.635 1.088 4 3 7 40 40 VAL .660 1.137 .896 4 3 7 41 41 ASP .947 1.565 1.293 4 4 8 42 42 LEU .771 1.400 1.130 4 4 8 43 43 LEU .469 .898 .716 4 4 8 44 44 ASP .276 1.051 .768 4 4 8 45 45 TYR .687 3.160 2.610 4 8 12 46 46 SER .688 1.149 .869 4 2 6 47 47 GLY .856 .000 .856 4 0 4 48 48 ARG .364 1.020 .843 4 7 11 49 49 SER .808 .964 .863 4 2 6 50 50 TRP .745 .457 .555 4 10 14 51 51 THR .625 .804 .708 4 3 7 52 52 VAL .553 .968 .759 4 3 7 53 53 ARG .442 1.657 1.348 4 7 11 54 54 MET .632 1.809 1.355 4 4 8 55 55 LYS .384 2.197 1.657 4 5 9 56 56 LYS .683 1.123 .953 4 5 9 57 57 ARG 1.193 1.800 1.606 4 7 11 58 58 GLY 1.681 .000 1.681 4 0 4 59 59 GLU 1.341 3.942 3.071 4 5 9 60 60 LYS .397 1.409 1.083 4 5 9 61 61 VAL .818 1.573 1.201 4 3 7 62 62 PHE .860 2.782 2.279 4 7 11 63 63 LEU .674 1.314 1.044 4 4 8 64 64 THR .626 1.590 1.144 4 3 7 65 65 VAL .425 .881 .660 4 3 7 66 66 GLY .251 .000 .251 4 0 4 67 67 TRP .313 .553 .496 4 10 14 68 68 GLU .589 1.784 1.386 4 5 9 69 69 ASN .538 .979 .790 4 4 8 70 70 PHE .345 .801 .672 4 7 11 71 71 VAL .447 .537 .488 4 3 7 72 72 LYS .822 3.236 2.473 4 5 9 73 73 ASP .884 1.213 1.061 4 4 8 74 74 ASN 1.453 1.839 1.657 4 4 8 75 75 ASN .676 1.424 1.115 4 4 8 76 76 LEU .664 .995 .846 4 4 8 77 77 GLU .667 .769 .726 4 5 9 78 78 ASP .842 1.580 1.266 4 4 8 79 79 GLY .873 .000 .873 4 0 4 80 80 LYS .796 1.460 1.210 4 5 9 81 81 TYR .830 1.731 1.493 4 8 12 82 82 LEU .846 1.417 1.167 4 4 8 83 83 GLN .876 2.354 1.849 4 5 9 84 84 PHE .813 1.178 1.060 4 7 11 85 85 ILE .891 1.061 .979 4 4 8 86 86 TYR .941 1.108 1.055 4 8 12 87 87 ASP 1.821 1.200 1.542 4 4 8 88 88 ARG .965 3.056 2.507 4 7 11 89 89 ASP .925 1.280 1.117 4 4 8 90 90 ARG .684 2.335 1.908 4 7 11 91 91 THR .468 .744 .602 4 3 7 92 92 PHE .319 1.078 .881 4 7 11 93 93 TYR .330 3.089 2.530 4 8 12 94 94 VAL .300 .820 .583 4 3 7 95 95 ILE .494 2.338 1.690 4 4 8 96 96 ILE .881 1.484 1.220 4 4 8 97 97 TYR 1.671 1.898 1.825 4 8 12 98 98 GLY 2.015 .000 2.015 4 0 4 99 99 HIS 3.673 6.031 5.218 4 6 10 100 100 ASN 2.718 5.585 4.392 4 4 8 101 101 MET 3.253 3.038 3.147 4 4 8 102 102 CYS 5.264 5.687 5.437 3 2 5 ENDMDL Model RMS deviations: 1.3077 2.1679 1.8064 407 440 847 MODEL 20 1 1 MET 6.522 9.979 8.429 4 4 8 2 2 ALA 6.122 7.140 6.339 4 1 5 3 3 ASP 3.324 5.318 4.435 4 4 8 4 4 THR 2.487 4.558 3.527 4 3 7 5 5 GLY 1.543 .000 1.543 4 0 4 6 6 GLU 1.228 1.867 1.615 4 5 9 7 7 VAL .400 .293 .358 4 3 7 8 8 GLN .397 1.452 1.114 4 5 9 9 9 PHE .340 1.968 1.583 4 7 11 10 10 MET .802 1.489 1.196 4 4 8 11 11 LYS .813 3.306 2.523 4 5 9 12 12 PRO 1.029 1.631 1.321 4 3 7 13 13 PHE .883 3.478 2.825 4 7 11 14 14 ILE 1.004 1.303 1.163 4 4 8 15 15 SER 1.234 1.394 1.289 4 2 6 16 16 GLU 1.413 2.997 2.424 4 5 9 17 17 LYS 1.139 2.644 2.112 4 5 9 18 18 SER .453 .768 .578 4 2 6 19 19 SER .458 .810 .599 4 2 6 20 20 LYS .902 1.866 1.515 4 5 9 21 21 SER .785 1.692 1.168 4 2 6 22 22 LEU .780 1.638 1.283 4 4 8 23 23 GLU .876 2.889 2.231 4 5 9 24 24 ILE .627 .756 .694 4 4 8 25 25 PRO .830 .983 .899 4 3 7 26 26 LEU 1.138 1.281 1.211 4 4 8 27 27 GLY 1.542 .000 1.542 4 0 4 28 28 PHE 1.539 1.901 1.778 4 7 11 29 29 ASN 1.552 1.682 1.618 4 4 8 30 30 GLU 1.992 2.898 2.536 4 5 9 31 31 TYR 1.880 2.275 2.151 4 8 12 32 32 PHE 2.157 1.263 1.645 4 7 11 33 33 PRO 3.192 2.456 2.900 4 3 7 34 34 ALA 2.173 2.784 2.308 4 1 5 35 35 PRO 2.363 3.119 2.713 4 3 7 36 36 PHE 1.454 3.374 2.831 4 7 11 37 37 PRO .821 1.006 .905 4 3 7 38 38 ILE .267 1.125 .817 4 4 8 39 39 THR .757 1.055 .897 4 3 7 40 40 VAL 1.159 1.913 1.528 4 3 7 41 41 ASP 1.141 1.260 1.202 4 4 8 42 42 LEU .808 1.269 1.064 4 4 8 43 43 LEU .637 .621 .629 4 4 8 44 44 ASP 1.061 2.231 1.747 4 4 8 45 45 TYR 1.591 1.123 1.298 4 8 12 46 46 SER 2.471 3.272 2.764 4 2 6 47 47 GLY 1.265 .000 1.265 4 0 4 48 48 ARG .773 1.678 1.417 4 7 11 49 49 SER .574 .600 .583 4 2 6 50 50 TRP .827 .786 .798 4 10 14 51 51 THR .908 1.417 1.154 4 3 7 52 52 VAL .744 1.378 1.063 4 3 7 53 53 ARG .728 1.167 1.029 4 7 11 54 54 MET .568 1.538 1.160 4 4 8 55 55 LYS .340 1.521 1.156 4 5 9 56 56 LYS .998 1.525 1.317 4 5 9 57 57 ARG 1.313 1.850 1.675 4 7 11 58 58 GLY 2.062 .000 2.062 4 0 4 59 59 GLU 1.948 2.008 1.982 4 5 9 60 60 LYS .991 2.342 1.867 4 5 9 61 61 VAL .624 .876 .743 4 3 7 62 62 PHE .601 1.592 1.320 4 7 11 63 63 LEU .866 1.109 .995 4 4 8 64 64 THR .991 1.717 1.351 4 3 7 65 65 VAL .919 1.522 1.215 4 3 7 66 66 GLY .959 .000 .959 4 0 4 67 67 TRP 1.062 1.048 1.052 4 10 14 68 68 GLU 1.153 2.319 1.892 4 5 9 69 69 ASN .786 1.513 1.206 4 4 8 70 70 PHE .769 1.045 .954 4 7 11 71 71 VAL .926 1.388 1.147 4 3 7 72 72 LYS .625 1.490 1.187 4 5 9 73 73 ASP .411 .556 .489 4 4 8 74 74 ASN .789 2.033 1.542 4 4 8 75 75 ASN .571 3.091 2.223 4 4 8 76 76 LEU .882 1.672 1.337 4 4 8 77 77 GLU .639 2.005 1.554 4 5 9 78 78 ASP .811 1.695 1.329 4 4 8 79 79 GLY .827 .000 .827 4 0 4 80 80 LYS .773 2.951 2.259 4 5 9 81 81 TYR .591 1.369 1.168 4 8 12 82 82 LEU .650 1.817 1.364 4 4 8 83 83 GLN .429 1.775 1.353 4 5 9 84 84 PHE .555 1.354 1.131 4 7 11 85 85 ILE .444 .456 .450 4 4 8 86 86 TYR .324 1.149 .957 4 8 12 87 87 ASP 1.268 1.955 1.647 4 4 8 88 88 ARG 1.130 2.436 2.060 4 7 11 89 89 ASP .719 .947 .841 4 4 8 90 90 ARG .979 2.973 2.444 4 7 11 91 91 THR .589 .945 .763 4 3 7 92 92 PHE .565 1.224 1.034 4 7 11 93 93 TYR .442 2.897 2.379 4 8 12 94 94 VAL .393 .749 .573 4 3 7 95 95 ILE .403 1.245 .925 4 4 8 96 96 ILE .498 1.958 1.429 4 4 8 97 97 TYR 1.088 1.737 1.552 4 8 12 98 98 GLY 2.401 .000 2.401 4 0 4 99 99 HIS 3.335 7.059 5.861 4 6 10 100 100 ASN 2.056 3.845 3.083 4 4 8 101 101 MET 1.285 2.382 1.914 4 4 8 102 102 CYS 2.814 4.741 3.707 3 2 5 ENDMDL Model RMS deviations: 1.5384 2.3938 2.0283 407 440 847 ALL MODELS 1 1 MET 7.028 8.776 7.950 80 80 160 2 2 ALA 4.943 5.224 5.001 80 20 100 3 3 ASP 3.468 5.053 4.334 80 80 160 4 4 THR 2.882 3.906 3.359 80 60 140 5 5 GLY 2.387 .000 2.387 80 0 80 6 6 GLU 1.826 3.020 2.559 80 100 180 7 7 VAL 1.242 1.449 1.334 80 60 140 8 8 GLN 1.058 1.727 1.468 80 100 180 9 9 PHE .825 2.206 1.829 80 140 220 10 10 MET .939 1.876 1.484 80 80 160 11 11 LYS .934 1.889 1.539 80 100 180 12 12 PRO 1.007 1.516 1.251 80 60 140 13 13 PHE .862 3.126 2.547 80 140 220 14 14 ILE .725 1.049 .902 80 80 160 15 15 SER .914 1.316 1.065 80 40 120 16 16 GLU 1.060 2.232 1.807 80 100 180 17 17 LYS .777 2.098 1.647 80 100 180 18 18 SER .707 1.262 .930 80 40 120 19 19 SER .799 1.143 .928 80 40 120 20 20 LYS .769 2.650 2.041 80 100 180 21 21 SER .642 1.084 .816 80 40 120 22 22 LEU .653 1.177 .952 80 80 160 23 23 GLU .763 1.885 1.494 80 100 180 24 24 ILE .921 1.092 1.010 80 80 160 25 25 PRO 1.140 1.263 1.194 80 60 140 26 26 LEU 1.382 1.731 1.566 80 80 160 27 27 GLY 1.592 .000 1.592 80 0 80 28 28 PHE 1.403 2.138 1.904 80 140 220 29 29 ASN 1.202 1.485 1.351 80 80 160 30 30 GLU 1.395 2.574 2.132 80 100 180 31 31 TYR 1.485 2.366 2.114 80 160 240 32 32 PHE 1.371 1.650 1.555 80 140 220 33 33 PRO 1.942 2.191 2.052 80 60 140 34 34 ALA 2.261 3.647 2.598 80 20 100 35 35 PRO 1.695 1.962 1.814 80 60 140 36 36 PHE 1.163 2.535 2.140 80 140 220 37 37 PRO 1.027 1.375 1.189 80 60 140 38 38 ILE .804 1.041 .930 80 80 160 39 39 THR .757 1.085 .912 80 60 140 40 40 VAL .725 1.359 1.045 80 60 140 41 41 ASP .735 1.525 1.197 80 80 160 42 42 LEU .672 1.289 1.028 80 80 160 43 43 LEU .752 .988 .878 80 80 160 44 44 ASP .930 1.736 1.392 80 80 160 45 45 TYR 1.437 2.735 2.382 80 160 240 46 46 SER 1.718 2.361 1.956 80 40 120 47 47 GLY 1.353 .000 1.353 80 0 80 48 48 ARG .982 2.552 2.120 80 140 220 49 49 SER .857 1.084 .939 80 40 120 50 50 TRP .734 .742 .740 80 200 280 51 51 THR .746 1.012 .870 80 60 140 52 52 VAL .595 1.154 .879 80 60 140 53 53 ARG .568 1.904 1.557 80 140 220 54 54 MET .748 1.434 1.144 80 80 160 55 55 LYS .769 1.736 1.392 80 100 180 56 56 LYS 1.045 1.289 1.187 80 100 180 57 57 ARG 1.385 2.887 2.450 80 140 220 58 58 GLY 1.662 .000 1.662 80 0 80 59 59 GLU 1.562 2.875 2.382 80 100 180 60 60 LYS 1.188 2.249 1.854 80 100 180 61 61 VAL .958 1.304 1.120 80 60 140 62 62 PHE .782 1.801 1.512 80 140 220 63 63 LEU .668 1.309 1.039 80 80 160 64 64 THR .577 1.218 .909 80 60 140 65 65 VAL .618 1.272 .955 80 60 140 66 66 GLY .682 .000 .682 80 0 80 67 67 TRP .648 .692 .680 80 200 280 68 68 GLU .734 1.610 1.296 80 100 180 69 69 ASN .666 1.036 .871 80 80 160 70 70 PHE .620 1.080 .940 80 140 220 71 71 VAL .725 .965 .837 80 60 140 72 72 LYS .735 2.575 1.981 80 100 180 73 73 ASP .787 1.134 .976 80 80 160 74 74 ASN .929 1.525 1.263 80 80 160 75 75 ASN .835 1.501 1.215 80 80 160 76 76 LEU .712 1.215 .996 80 80 160 77 77 GLU .696 1.780 1.406 80 100 180 78 78 ASP .890 1.690 1.351 80 80 160 79 79 GLY .919 .000 .919 80 0 80 80 80 LYS .861 1.510 1.264 80 100 180 81 81 TYR .779 1.940 1.646 80 160 240 82 82 LEU .755 1.540 1.213 80 80 160 83 83 GLN .704 1.692 1.346 80 100 180 84 84 PHE .737 1.694 1.422 80 140 220 85 85 ILE .797 1.102 .961 80 80 160 86 86 TYR 1.045 2.223 1.913 80 160 240 87 87 ASP 1.630 2.616 2.180 80 80 160 88 88 ARG 1.784 3.697 3.139 80 140 220 89 89 ASP 1.327 2.106 1.760 80 80 160 90 90 ARG 1.114 3.289 2.709 80 140 220 91 91 THR .848 1.373 1.104 80 60 140 92 92 PHE .663 1.413 1.196 80 140 220 93 93 TYR .611 2.753 2.276 80 160 240 94 94 VAL .595 1.248 .933 80 60 140 95 95 ILE .616 1.550 1.179 80 80 160 96 96 ILE .795 1.545 1.229 80 80 160 97 97 TYR 1.108 1.558 1.424 80 160 240 98 98 GLY 1.993 .000 1.993 80 0 80 99 99 HIS 2.752 4.989 4.238 80 120 200 100 100 ASN 3.258 5.135 4.300 80 80 160 101 101 MET 4.413 5.421 4.943 80 80 160 102 102 CYS 5.591 6.391 5.924 60 40 100 ENDMDL Overall RMS deviation: 1.6147 2.3890 2.0537 8140 8800 16940