MODEL 1 1 1 MET 7.655 11.238 9.615 4 4 8 2 2 ALA 6.198 7.013 6.369 4 1 5 3 3 ASP 3.170 3.732 3.463 4 4 8 4 4 THR 2.679 4.367 3.504 4 3 7 5 5 GLY 1.148 .000 1.148 4 0 4 6 6 GLU .864 2.198 1.736 4 5 9 7 7 VAL .928 1.350 1.128 4 3 7 8 8 GLN .613 1.088 .908 4 5 9 9 9 PHE .720 2.087 1.721 4 7 11 10 10 MET .797 1.598 1.263 4 4 8 11 11 LYS .434 1.022 .815 4 5 9 12 12 PRO .451 .724 .584 4 3 7 13 13 PHE .223 1.581 1.268 4 7 11 14 14 ILE .223 .968 .702 4 4 8 15 15 SER .382 .478 .417 4 2 6 16 16 GLU .493 .624 .569 4 5 9 17 17 LYS .654 1.228 1.014 4 5 9 18 18 SER .406 .959 .645 4 2 6 19 19 SER .599 1.145 .822 4 2 6 20 20 LYS .486 1.959 1.496 4 5 9 21 21 SER .298 .391 .332 4 2 6 22 22 LEU .461 .442 .452 4 4 8 23 23 GLU .480 1.715 1.318 4 5 9 24 24 ILE .701 .954 .837 4 4 8 25 25 PRO .858 .678 .786 4 3 7 26 26 LEU 1.229 1.419 1.328 4 4 8 27 27 GLY 1.250 .000 1.250 4 0 4 28 28 PHE 1.187 1.457 1.365 4 7 11 29 29 ASN 1.221 2.723 2.110 4 4 8 30 30 GLU 1.541 2.273 1.981 4 5 9 31 31 TYR 1.523 1.606 1.579 4 8 12 32 32 PHE 1.382 1.493 1.454 4 7 11 33 33 PRO 1.329 1.534 1.421 4 3 7 34 34 ALA 1.038 .958 1.022 4 1 5 35 35 PRO .789 .843 .812 4 3 7 36 36 PHE .597 1.358 1.141 4 7 11 37 37 PRO .316 .346 .329 4 3 7 38 38 ILE .385 .322 .355 4 4 8 39 39 THR .414 .682 .545 4 3 7 40 40 VAL .653 1.459 1.075 4 3 7 41 41 ASP .878 2.268 1.719 4 4 8 42 42 LEU .904 .889 .897 4 4 8 43 43 LEU 1.042 .763 .913 4 4 8 44 44 ASP 1.223 1.878 1.585 4 4 8 45 45 TYR 1.427 4.376 3.667 4 8 12 46 46 SER 1.384 1.172 1.317 4 2 6 47 47 GLY 1.780 .000 1.780 4 0 4 48 48 ARG 1.422 1.611 1.545 4 7 11 49 49 SER 1.234 1.153 1.207 4 2 6 50 50 TRP 1.032 1.427 1.326 4 10 14 51 51 THR .683 .848 .758 4 3 7 52 52 VAL .304 .741 .537 4 3 7 53 53 ARG .140 1.710 1.367 4 7 11 54 54 MET .231 .501 .390 4 4 8 55 55 LYS .355 1.537 1.170 4 5 9 56 56 LYS .757 .988 .893 4 5 9 57 57 ARG 1.138 2.077 1.793 4 7 11 58 58 GLY 1.476 .000 1.476 4 0 4 59 59 GLU 1.464 3.842 3.025 4 5 9 60 60 LYS 1.304 2.868 2.308 4 5 9 61 61 VAL .760 .875 .811 4 3 7 62 62 PHE .559 1.189 1.007 4 7 11 63 63 LEU .478 .380 .432 4 4 8 64 64 THR .231 1.508 1.003 4 3 7 65 65 VAL .277 1.152 .782 4 3 7 66 66 GLY .419 .000 .419 4 0 4 67 67 TRP .388 .380 .382 4 10 14 68 68 GLU .562 1.109 .908 4 5 9 69 69 ASN .735 1.042 .902 4 4 8 70 70 PHE .572 1.612 1.332 4 7 11 71 71 VAL .299 .167 .251 4 3 7 72 72 LYS .600 1.929 1.492 4 5 9 73 73 ASP .813 1.604 1.272 4 4 8 74 74 ASN .620 1.448 1.114 4 4 8 75 75 ASN .442 .950 .741 4 4 8 76 76 LEU .366 .698 .557 4 4 8 77 77 GLU .223 1.475 1.109 4 5 9 78 78 ASP .134 1.781 1.263 4 4 8 79 79 GLY .227 .000 .227 4 0 4 80 80 LYS .419 .650 .560 4 5 9 81 81 TYR .640 1.664 1.408 4 8 12 82 82 LEU .812 1.119 .977 4 4 8 83 83 GLN .931 1.720 1.425 4 5 9 84 84 PHE .935 1.797 1.540 4 7 11 85 85 ILE .716 .712 .714 4 4 8 86 86 TYR .557 2.047 1.702 4 8 12 87 87 ASP .764 1.517 1.201 4 4 8 88 88 ARG .777 1.235 1.091 4 7 11 89 89 ASP .681 .906 .802 4 4 8 90 90 ARG .632 1.276 1.086 4 7 11 91 91 THR .552 1.346 .975 4 3 7 92 92 PHE .762 1.477 1.265 4 7 11 93 93 TYR .739 1.017 .933 4 8 12 94 94 VAL .845 1.361 1.096 4 3 7 95 95 ILE .712 1.036 .889 4 4 8 96 96 ILE .541 1.752 1.297 4 4 8 97 97 TYR .520 1.194 1.020 4 8 12 98 98 GLY .532 .000 .532 4 0 4 99 99 HIS 1.390 2.539 2.154 4 6 10 100 100 ASN 2.558 4.002 3.358 4 4 8 101 101 MET 3.632 4.028 3.835 4 4 8 102 102 CYS 5.168 5.632 5.358 3 2 5 ENDMDL Model RMS deviations: 1.4707 2.1036 1.8271 407 440 847 MODEL 2 1 1 MET 2.360 3.487 2.977 4 4 8 2 2 ALA 2.908 4.654 3.331 4 1 5 3 3 ASP 3.284 1.518 2.558 4 4 8 4 4 THR 3.630 5.511 4.533 4 3 7 5 5 GLY 1.888 .000 1.888 4 0 4 6 6 GLU 1.048 1.728 1.465 4 5 9 7 7 VAL .746 .720 .735 4 3 7 8 8 GLN .798 1.290 1.099 4 5 9 9 9 PHE .643 1.211 1.041 4 7 11 10 10 MET .397 2.338 1.677 4 4 8 11 11 LYS .295 1.355 1.029 4 5 9 12 12 PRO .377 .932 .673 4 3 7 13 13 PHE .675 1.669 1.392 4 7 11 14 14 ILE .322 .490 .415 4 4 8 15 15 SER .379 .630 .477 4 2 6 16 16 GLU .527 .720 .641 4 5 9 17 17 LYS .536 1.755 1.356 4 5 9 18 18 SER .412 1.071 .704 4 2 6 19 19 SER .367 .744 .523 4 2 6 20 20 LYS .241 1.639 1.233 4 5 9 21 21 SER .406 .451 .422 4 2 6 22 22 LEU .211 1.207 .866 4 4 8 23 23 GLU .442 1.152 .908 4 5 9 24 24 ILE .290 .514 .417 4 4 8 25 25 PRO .349 .427 .384 4 3 7 26 26 LEU .359 .586 .486 4 4 8 27 27 GLY .406 .000 .406 4 0 4 28 28 PHE .308 .849 .703 4 7 11 29 29 ASN .390 .969 .739 4 4 8 30 30 GLU .430 1.379 1.067 4 5 9 31 31 TYR .356 1.063 .891 4 8 12 32 32 PHE .402 .863 .730 4 7 11 33 33 PRO .591 .722 .651 4 3 7 34 34 ALA .577 .509 .564 4 1 5 35 35 PRO .608 .746 .671 4 3 7 36 36 PHE .511 .936 .808 4 7 11 37 37 PRO .407 .410 .408 4 3 7 38 38 ILE .405 .473 .440 4 4 8 39 39 THR .516 .995 .759 4 3 7 40 40 VAL .566 1.340 .976 4 3 7 41 41 ASP .610 1.333 1.037 4 4 8 42 42 LEU .650 .525 .591 4 4 8 43 43 LEU .325 1.743 1.253 4 4 8 44 44 ASP .288 .828 .620 4 4 8 45 45 TYR .501 3.160 2.596 4 8 12 46 46 SER .433 1.531 .952 4 2 6 47 47 GLY .885 .000 .885 4 0 4 48 48 ARG .887 .956 .932 4 7 11 49 49 SER .871 .944 .896 4 2 6 50 50 TRP .567 .805 .745 4 10 14 51 51 THR .452 .538 .491 4 3 7 52 52 VAL .315 .902 .637 4 3 7 53 53 ARG .166 2.016 1.611 4 7 11 54 54 MET .323 .951 .710 4 4 8 55 55 LYS .273 1.417 1.072 4 5 9 56 56 LYS .544 .800 .698 4 5 9 57 57 ARG .626 1.872 1.541 4 7 11 58 58 GLY 1.262 .000 1.262 4 0 4 59 59 GLU 1.381 3.995 3.117 4 5 9 60 60 LYS 1.167 2.742 2.187 4 5 9 61 61 VAL .573 1.673 1.178 4 3 7 62 62 PHE .320 1.808 1.455 4 7 11 63 63 LEU .228 .641 .481 4 4 8 64 64 THR .207 1.439 .955 4 3 7 65 65 VAL .279 1.446 .970 4 3 7 66 66 GLY .314 .000 .314 4 0 4 67 67 TRP .338 .385 .372 4 10 14 68 68 GLU .336 1.587 1.204 4 5 9 69 69 ASN .470 .651 .568 4 4 8 70 70 PHE .447 .884 .755 4 7 11 71 71 VAL .404 .358 .385 4 3 7 72 72 LYS .493 1.173 .934 4 5 9 73 73 ASP .601 1.248 .980 4 4 8 74 74 ASN .768 1.834 1.406 4 4 8 75 75 ASN .732 .682 .707 4 4 8 76 76 LEU .747 1.776 1.362 4 4 8 77 77 GLU .386 1.178 .915 4 5 9 78 78 ASP .335 1.040 .772 4 4 8 79 79 GLY .434 .000 .434 4 0 4 80 80 LYS .383 1.945 1.472 4 5 9 81 81 TYR .396 1.934 1.595 4 8 12 82 82 LEU .578 1.315 1.016 4 4 8 83 83 GLN .630 .762 .706 4 5 9 84 84 PHE .498 1.218 1.017 4 7 11 85 85 ILE .950 .890 .920 4 4 8 86 86 TYR 1.081 2.561 2.182 4 8 12 87 87 ASP .982 1.711 1.395 4 4 8 88 88 ARG .727 3.011 2.442 4 7 11 89 89 ASP .776 1.840 1.412 4 4 8 90 90 ARG .819 1.888 1.585 4 7 11 91 91 THR .575 1.249 .926 4 3 7 92 92 PHE .457 1.581 1.291 4 7 11 93 93 TYR .704 1.029 .934 4 8 12 94 94 VAL .827 .896 .857 4 3 7 95 95 ILE .661 .917 .800 4 4 8 96 96 ILE .475 .837 .680 4 4 8 97 97 TYR .401 .786 .683 4 8 12 98 98 GLY 1.929 .000 1.929 4 0 4 99 99 HIS 3.441 5.474 4.766 4 6 10 100 100 ASN 2.816 5.132 4.139 4 4 8 101 101 MET 4.345 3.367 3.887 4 4 8 102 102 CYS 7.164 7.505 7.303 3 2 5 ENDMDL Model RMS deviations: 1.2304 1.8593 1.5885 407 440 847 MODEL 3 1 1 MET 4.627 2.463 3.707 4 4 8 2 2 ALA 4.583 6.104 4.925 4 1 5 3 3 ASP 3.576 4.231 3.917 4 4 8 4 4 THR 2.987 5.040 3.998 4 3 7 5 5 GLY 1.347 .000 1.347 4 0 4 6 6 GLU .859 1.151 1.032 4 5 9 7 7 VAL .419 .853 .642 4 3 7 8 8 GLN .513 1.367 1.075 4 5 9 9 9 PHE .205 1.447 1.161 4 7 11 10 10 MET .440 .937 .732 4 4 8 11 11 LYS .480 1.341 1.050 4 5 9 12 12 PRO .642 1.059 .847 4 3 7 13 13 PHE .376 2.657 2.132 4 7 11 14 14 ILE .213 .499 .384 4 4 8 15 15 SER .365 .600 .457 4 2 6 16 16 GLU .435 .980 .786 4 5 9 17 17 LYS .579 .899 .773 4 5 9 18 18 SER .597 1.091 .797 4 2 6 19 19 SER .543 1.360 .902 4 2 6 20 20 LYS .931 2.805 2.181 4 5 9 21 21 SER .805 .827 .812 4 2 6 22 22 LEU .516 .605 .563 4 4 8 23 23 GLU .503 1.211 .963 4 5 9 24 24 ILE .473 .755 .630 4 4 8 25 25 PRO .667 .817 .735 4 3 7 26 26 LEU .880 1.027 .956 4 4 8 27 27 GLY .839 .000 .839 4 0 4 28 28 PHE .420 1.853 1.500 4 7 11 29 29 ASN .656 1.300 1.030 4 4 8 30 30 GLU .886 1.765 1.442 4 5 9 31 31 TYR .575 1.079 .942 4 8 12 32 32 PHE .617 1.038 .908 4 7 11 33 33 PRO .850 .971 .904 4 3 7 34 34 ALA .851 .735 .829 4 1 5 35 35 PRO .892 1.110 .991 4 3 7 36 36 PHE .782 .971 .907 4 7 11 37 37 PRO .636 .529 .593 4 3 7 38 38 ILE .801 .867 .835 4 4 8 39 39 THR .847 .914 .876 4 3 7 40 40 VAL .792 1.159 .966 4 3 7 41 41 ASP .835 1.595 1.273 4 4 8 42 42 LEU .755 .453 .623 4 4 8 43 43 LEU 1.273 1.412 1.344 4 4 8 44 44 ASP 1.619 1.784 1.703 4 4 8 45 45 TYR 1.671 1.726 1.708 4 8 12 46 46 SER .767 1.441 1.041 4 2 6 47 47 GLY .876 .000 .876 4 0 4 48 48 ARG .617 1.851 1.523 4 7 11 49 49 SER .622 .755 .669 4 2 6 50 50 TRP .414 .609 .560 4 10 14 51 51 THR .474 .712 .588 4 3 7 52 52 VAL .299 .766 .550 4 3 7 53 53 ARG .281 1.056 .860 4 7 11 54 54 MET .340 1.042 .775 4 4 8 55 55 LYS .580 1.588 1.245 4 5 9 56 56 LYS .763 1.882 1.492 4 5 9 57 57 ARG .674 2.223 1.819 4 7 11 58 58 GLY .596 .000 .596 4 0 4 59 59 GLU .776 1.733 1.391 4 5 9 60 60 LYS .952 2.324 1.845 4 5 9 61 61 VAL .760 1.567 1.176 4 3 7 62 62 PHE .637 1.231 1.055 4 7 11 63 63 LEU .382 .586 .494 4 4 8 64 64 THR .468 .545 .502 4 3 7 65 65 VAL .455 1.378 .966 4 3 7 66 66 GLY .396 .000 .396 4 0 4 67 67 TRP .330 .532 .483 4 10 14 68 68 GLU .550 1.440 1.134 4 5 9 69 69 ASN .557 .767 .670 4 4 8 70 70 PHE .559 .653 .621 4 7 11 71 71 VAL .600 .558 .583 4 3 7 72 72 LYS .714 .803 .765 4 5 9 73 73 ASP .758 1.024 .901 4 4 8 74 74 ASN .844 1.047 .951 4 4 8 75 75 ASN .829 .775 .803 4 4 8 76 76 LEU .768 1.579 1.241 4 4 8 77 77 GLU .488 1.338 1.049 4 5 9 78 78 ASP .445 1.530 1.127 4 4 8 79 79 GLY .552 .000 .552 4 0 4 80 80 LYS .606 1.065 .891 4 5 9 81 81 TYR .563 2.404 1.990 4 8 12 82 82 LEU .374 1.499 1.092 4 4 8 83 83 GLN .259 1.838 1.381 4 5 9 84 84 PHE .307 1.405 1.136 4 7 11 85 85 ILE .329 .382 .356 4 4 8 86 86 TYR .520 3.533 2.900 4 8 12 87 87 ASP 1.290 1.217 1.254 4 4 8 88 88 ARG .803 1.583 1.352 4 7 11 89 89 ASP 1.043 2.086 1.649 4 4 8 90 90 ARG 1.209 2.524 2.141 4 7 11 91 91 THR .873 1.897 1.406 4 3 7 92 92 PHE .700 1.211 1.054 4 7 11 93 93 TYR .442 1.145 .969 4 8 12 94 94 VAL .492 .772 .628 4 3 7 95 95 ILE .691 1.094 .915 4 4 8 96 96 ILE .717 1.656 1.276 4 4 8 97 97 TYR .872 1.050 .994 4 8 12 98 98 GLY 1.701 .000 1.701 4 0 4 99 99 HIS 3.569 7.359 6.131 4 6 10 100 100 ASN 4.037 6.954 5.686 4 4 8 101 101 MET 3.200 6.491 5.118 4 4 8 102 102 CYS 2.192 1.745 2.025 3 2 5 ENDMDL Model RMS deviations: 1.2451 2.0206 1.6929 407 440 847 MODEL 4 1 1 MET 2.409 4.305 3.488 4 4 8 2 2 ALA 2.605 3.385 2.778 4 1 5 3 3 ASP 2.496 2.813 2.659 4 4 8 4 4 THR 3.188 4.953 4.040 4 3 7 5 5 GLY 1.534 .000 1.534 4 0 4 6 6 GLU .465 2.008 1.528 4 5 9 7 7 VAL .726 .992 .850 4 3 7 8 8 GLN .940 2.024 1.633 4 5 9 9 9 PHE .820 1.611 1.377 4 7 11 10 10 MET 1.551 3.040 2.413 4 4 8 11 11 LYS 1.257 2.279 1.894 4 5 9 12 12 PRO 1.379 2.159 1.756 4 3 7 13 13 PHE .559 1.859 1.521 4 7 11 14 14 ILE .691 2.032 1.518 4 4 8 15 15 SER .606 1.341 .919 4 2 6 16 16 GLU .191 1.341 1.007 4 5 9 17 17 LYS .320 1.704 1.288 4 5 9 18 18 SER .729 1.768 1.182 4 2 6 19 19 SER .547 1.839 1.152 4 2 6 20 20 LYS 1.044 1.867 1.556 4 5 9 21 21 SER .580 .706 .625 4 2 6 22 22 LEU .323 .694 .541 4 4 8 23 23 GLU .611 2.135 1.642 4 5 9 24 24 ILE .659 .758 .710 4 4 8 25 25 PRO .725 .510 .642 4 3 7 26 26 LEU .676 .904 .798 4 4 8 27 27 GLY .853 .000 .853 4 0 4 28 28 PHE .722 1.543 1.305 4 7 11 29 29 ASN .718 .917 .824 4 4 8 30 30 GLU .716 1.239 1.040 4 5 9 31 31 TYR .796 .996 .934 4 8 12 32 32 PHE .716 1.131 1.000 4 7 11 33 33 PRO .791 .943 .859 4 3 7 34 34 ALA .640 .590 .630 4 1 5 35 35 PRO .541 .634 .583 4 3 7 36 36 PHE .386 1.224 1.004 4 7 11 37 37 PRO .340 .386 .360 4 3 7 38 38 ILE .451 .442 .446 4 4 8 39 39 THR .362 .503 .428 4 3 7 40 40 VAL .407 1.129 .800 4 3 7 41 41 ASP .369 1.454 1.061 4 4 8 42 42 LEU .172 .242 .210 4 4 8 43 43 LEU .127 .264 .207 4 4 8 44 44 ASP .175 .854 .617 4 4 8 45 45 TYR .970 2.543 2.151 4 8 12 46 46 SER .657 2.115 1.334 4 2 6 47 47 GLY .442 .000 .442 4 0 4 48 48 ARG .591 2.319 1.884 4 7 11 49 49 SER .672 .819 .724 4 2 6 50 50 TRP .415 .520 .492 4 10 14 51 51 THR .323 .331 .326 4 3 7 52 52 VAL .248 .749 .525 4 3 7 53 53 ARG .243 .907 .739 4 7 11 54 54 MET .287 .545 .436 4 4 8 55 55 LYS .406 1.297 1.004 4 5 9 56 56 LYS .621 1.295 1.051 4 5 9 57 57 ARG .622 1.267 1.078 4 7 11 58 58 GLY .968 .000 .968 4 0 4 59 59 GLU .990 1.605 1.366 4 5 9 60 60 LYS .827 1.762 1.424 4 5 9 61 61 VAL .549 .679 .608 4 3 7 62 62 PHE .385 1.934 1.561 4 7 11 63 63 LEU .248 .796 .589 4 4 8 64 64 THR .293 .622 .464 4 3 7 65 65 VAL .331 1.462 .989 4 3 7 66 66 GLY .342 .000 .342 4 0 4 67 67 TRP .323 .478 .439 4 10 14 68 68 GLU .425 .958 .768 4 5 9 69 69 ASN .437 .489 .464 4 4 8 70 70 PHE .408 .851 .722 4 7 11 71 71 VAL .525 .514 .521 4 3 7 72 72 LYS .636 1.520 1.210 4 5 9 73 73 ASP .586 .666 .627 4 4 8 74 74 ASN .716 .933 .832 4 4 8 75 75 ASN .977 1.522 1.279 4 4 8 76 76 LEU .868 1.019 .947 4 4 8 77 77 GLU 1.056 2.247 1.817 4 5 9 78 78 ASP .913 1.643 1.329 4 4 8 79 79 GLY .977 .000 .977 4 0 4 80 80 LYS .494 1.094 .879 4 5 9 81 81 TYR .484 1.981 1.642 4 8 12 82 82 LEU .729 1.099 .933 4 4 8 83 83 GLN .750 1.376 1.141 4 5 9 84 84 PHE .597 1.368 1.149 4 7 11 85 85 ILE .428 1.396 1.032 4 4 8 86 86 TYR .634 2.514 2.085 4 8 12 87 87 ASP 1.623 2.628 2.184 4 4 8 88 88 ARG 1.395 2.309 2.025 4 7 11 89 89 ASP 1.489 2.077 1.807 4 4 8 90 90 ARG 1.684 2.275 2.080 4 7 11 91 91 THR .896 1.588 1.241 4 3 7 92 92 PHE .744 1.187 1.048 4 7 11 93 93 TYR .389 1.076 .907 4 8 12 94 94 VAL .520 1.463 1.035 4 3 7 95 95 ILE .489 .886 .716 4 4 8 96 96 ILE .468 .773 .639 4 4 8 97 97 TYR 1.457 2.154 1.950 4 8 12 98 98 GLY 2.182 .000 2.182 4 0 4 99 99 HIS 2.777 7.225 5.865 4 6 10 100 100 ASN 2.372 5.031 3.933 4 4 8 101 101 MET 1.544 4.613 3.440 4 4 8 102 102 CYS 3.131 2.064 2.755 3 2 5 ENDMDL Model RMS deviations: 1.0352 1.9352 1.5685 407 440 847 MODEL 5 1 1 MET 2.482 3.186 2.856 4 4 8 2 2 ALA 3.434 5.200 3.853 4 1 5 3 3 ASP 3.235 5.937 4.781 4 4 8 4 4 THR 1.643 2.752 2.188 4 3 7 5 5 GLY 1.429 .000 1.429 4 0 4 6 6 GLU .730 1.142 .980 4 5 9 7 7 VAL .359 .952 .680 4 3 7 8 8 GLN .388 1.005 .792 4 5 9 9 9 PHE .277 1.656 1.331 4 7 11 10 10 MET .529 1.957 1.434 4 4 8 11 11 LYS .357 1.055 .821 4 5 9 12 12 PRO .553 1.192 .885 4 3 7 13 13 PHE .296 2.093 1.679 4 7 11 14 14 ILE .231 .691 .515 4 4 8 15 15 SER .226 .419 .304 4 2 6 16 16 GLU .142 2.183 1.630 4 5 9 17 17 LYS .296 .601 .490 4 5 9 18 18 SER .383 1.097 .707 4 2 6 19 19 SER .325 1.007 .639 4 2 6 20 20 LYS .275 2.618 1.960 4 5 9 21 21 SER .331 .904 .588 4 2 6 22 22 LEU .480 1.185 .904 4 4 8 23 23 GLU .664 .941 .829 4 5 9 24 24 ILE .694 .846 .774 4 4 8 25 25 PRO .863 1.101 .972 4 3 7 26 26 LEU .796 .689 .745 4 4 8 27 27 GLY 1.070 .000 1.070 4 0 4 28 28 PHE 1.007 2.102 1.783 4 7 11 29 29 ASN .837 1.220 1.046 4 4 8 30 30 GLU .996 .976 .985 4 5 9 31 31 TYR 1.143 1.342 1.279 4 8 12 32 32 PHE 1.046 1.316 1.225 4 7 11 33 33 PRO 1.068 1.135 1.097 4 3 7 34 34 ALA .972 .982 .974 4 1 5 35 35 PRO .916 1.045 .973 4 3 7 36 36 PHE .799 1.514 1.300 4 7 11 37 37 PRO .714 .695 .706 4 3 7 38 38 ILE .772 .763 .768 4 4 8 39 39 THR .528 .652 .584 4 3 7 40 40 VAL .466 1.019 .754 4 3 7 41 41 ASP .339 1.231 .903 4 4 8 42 42 LEU .449 .476 .463 4 4 8 43 43 LEU .469 .568 .521 4 4 8 44 44 ASP .572 1.125 .892 4 4 8 45 45 TYR 1.111 4.020 3.344 4 8 12 46 46 SER 1.183 2.627 1.798 4 2 6 47 47 GLY .678 .000 .678 4 0 4 48 48 ARG .515 1.558 1.281 4 7 11 49 49 SER .404 .533 .451 4 2 6 50 50 TRP .403 .553 .515 4 10 14 51 51 THR .425 .556 .485 4 3 7 52 52 VAL .470 .767 .615 4 3 7 53 53 ARG .490 .898 .775 4 7 11 54 54 MET .439 .402 .421 4 4 8 55 55 LYS .419 1.034 .820 4 5 9 56 56 LYS .385 .948 .752 4 5 9 57 57 ARG .219 1.242 1.000 4 7 11 58 58 GLY .489 .000 .489 4 0 4 59 59 GLU .650 1.516 1.210 4 5 9 60 60 LYS .701 2.567 1.969 4 5 9 61 61 VAL .347 .692 .523 4 3 7 62 62 PHE .555 1.833 1.500 4 7 11 63 63 LEU .601 .921 .778 4 4 8 64 64 THR .773 .891 .826 4 3 7 65 65 VAL .863 1.839 1.370 4 3 7 66 66 GLY .859 .000 .859 4 0 4 67 67 TRP .763 .639 .677 4 10 14 68 68 GLU .771 1.524 1.247 4 5 9 69 69 ASN .704 1.192 .979 4 4 8 70 70 PHE .793 2.024 1.684 4 7 11 71 71 VAL .622 .624 .623 4 3 7 72 72 LYS .575 2.161 1.656 4 5 9 73 73 ASP .632 1.036 .859 4 4 8 74 74 ASN .454 1.259 .946 4 4 8 75 75 ASN .275 .742 .560 4 4 8 76 76 LEU .349 .599 .491 4 4 8 77 77 GLU .378 1.601 1.219 4 5 9 78 78 ASP .549 1.105 .872 4 4 8 79 79 GLY .513 .000 .513 4 0 4 80 80 LYS .518 1.567 1.218 4 5 9 81 81 TYR .623 .910 .825 4 8 12 82 82 LEU .459 1.369 1.021 4 4 8 83 83 GLN .500 1.329 1.045 4 5 9 84 84 PHE .487 1.037 .878 4 7 11 85 85 ILE .499 .559 .530 4 4 8 86 86 TYR .407 3.502 2.869 4 8 12 87 87 ASP .907 1.583 1.290 4 4 8 88 88 ARG .484 2.299 1.857 4 7 11 89 89 ASP .520 .869 .716 4 4 8 90 90 ARG .610 4.372 3.507 4 7 11 91 91 THR .536 1.163 .862 4 3 7 92 92 PHE .433 1.129 .937 4 7 11 93 93 TYR .434 .932 .801 4 8 12 94 94 VAL .645 1.661 1.192 4 3 7 95 95 ILE .728 .859 .796 4 4 8 96 96 ILE .859 1.022 .944 4 4 8 97 97 TYR .915 .877 .890 4 8 12 98 98 GLY 1.093 .000 1.093 4 0 4 99 99 HIS 1.353 3.301 2.696 4 6 10 100 100 ASN 1.556 2.350 1.993 4 4 8 101 101 MET 2.156 5.351 4.079 4 4 8 102 102 CYS 3.144 2.947 3.067 3 2 5 ENDMDL Model RMS deviations: .9295 1.8421 1.4758 407 440 847 MODEL 6 1 1 MET 4.672 5.775 5.252 4 4 8 2 2 ALA 3.362 4.743 3.680 4 1 5 3 3 ASP 2.536 3.578 3.101 4 4 8 4 4 THR 2.840 4.788 3.799 4 3 7 5 5 GLY 1.242 .000 1.242 4 0 4 6 6 GLU .829 1.367 1.159 4 5 9 7 7 VAL .707 1.530 1.135 4 3 7 8 8 GLN .147 2.289 1.709 4 5 9 9 9 PHE .216 3.691 2.948 4 7 11 10 10 MET .331 1.272 .929 4 4 8 11 11 LYS .254 1.506 1.135 4 5 9 12 12 PRO .436 .739 .586 4 3 7 13 13 PHE .603 1.578 1.311 4 7 11 14 14 ILE .498 .927 .744 4 4 8 15 15 SER .167 .903 .539 4 2 6 16 16 GLU .734 1.181 1.007 4 5 9 17 17 LYS 1.165 2.680 2.143 4 5 9 18 18 SER 1.063 1.030 1.052 4 2 6 19 19 SER .701 .929 .785 4 2 6 20 20 LYS 1.201 4.529 3.469 4 5 9 21 21 SER 1.367 1.203 1.314 4 2 6 22 22 LEU .689 1.939 1.455 4 4 8 23 23 GLU .971 3.835 2.931 4 5 9 24 24 ILE .654 .609 .632 4 4 8 25 25 PRO .639 .895 .760 4 3 7 26 26 LEU .546 1.901 1.398 4 4 8 27 27 GLY .317 .000 .317 4 0 4 28 28 PHE .397 1.231 1.011 4 7 11 29 29 ASN .742 1.825 1.393 4 4 8 30 30 GLU .978 1.447 1.260 4 5 9 31 31 TYR 1.102 1.358 1.278 4 8 12 32 32 PHE 1.141 1.525 1.398 4 7 11 33 33 PRO 1.079 1.189 1.128 4 3 7 34 34 ALA .903 .943 .911 4 1 5 35 35 PRO .795 .827 .809 4 3 7 36 36 PHE .654 .840 .778 4 7 11 37 37 PRO .615 .754 .678 4 3 7 38 38 ILE .731 1.247 1.022 4 4 8 39 39 THR .638 .654 .645 4 3 7 40 40 VAL .559 1.393 1.005 4 3 7 41 41 ASP .547 1.544 1.159 4 4 8 42 42 LEU .571 .679 .627 4 4 8 43 43 LEU .657 .546 .604 4 4 8 44 44 ASP .860 1.388 1.154 4 4 8 45 45 TYR 1.657 4.416 3.730 4 8 12 46 46 SER 1.624 3.139 2.245 4 2 6 47 47 GLY .716 .000 .716 4 0 4 48 48 ARG .896 4.070 3.292 4 7 11 49 49 SER .702 .462 .633 4 2 6 50 50 TRP .600 1.086 .972 4 10 14 51 51 THR .620 .431 .547 4 3 7 52 52 VAL .560 1.085 .827 4 3 7 53 53 ARG .561 1.195 1.012 4 7 11 54 54 MET .496 1.181 .906 4 4 8 55 55 LYS .532 3.080 2.323 4 5 9 56 56 LYS 1.363 2.338 1.965 4 5 9 57 57 ARG 1.616 4.667 3.848 4 7 11 58 58 GLY 2.015 .000 2.015 4 0 4 59 59 GLU 1.782 2.573 2.256 4 5 9 60 60 LYS 1.538 1.741 1.654 4 5 9 61 61 VAL .678 1.179 .927 4 3 7 62 62 PHE .497 1.260 1.049 4 7 11 63 63 LEU .210 1.191 .855 4 4 8 64 64 THR .272 .365 .315 4 3 7 65 65 VAL .361 1.389 .949 4 3 7 66 66 GLY .575 .000 .575 4 0 4 67 67 TRP .836 1.653 1.467 4 10 14 68 68 GLU .579 1.338 1.069 4 5 9 69 69 ASN .490 .961 .763 4 4 8 70 70 PHE .705 1.226 1.066 4 7 11 71 71 VAL .866 .876 .870 4 3 7 72 72 LYS .851 2.635 2.044 4 5 9 73 73 ASP .916 1.451 1.213 4 4 8 74 74 ASN 1.555 1.781 1.672 4 4 8 75 75 ASN 1.799 2.492 2.174 4 4 8 76 76 LEU 2.035 2.272 2.157 4 4 8 77 77 GLU 1.094 2.164 1.770 4 5 9 78 78 ASP .421 1.892 1.371 4 4 8 79 79 GLY .507 .000 .507 4 0 4 80 80 LYS .422 1.634 1.250 4 5 9 81 81 TYR .424 1.067 .905 4 8 12 82 82 LEU .314 1.167 .855 4 4 8 83 83 GLN .325 1.422 1.082 4 5 9 84 84 PHE .298 1.570 1.266 4 7 11 85 85 ILE .348 .743 .580 4 4 8 86 86 TYR .365 2.158 1.775 4 8 12 87 87 ASP .717 1.530 1.195 4 4 8 88 88 ARG .923 1.858 1.583 4 7 11 89 89 ASP .846 1.549 1.248 4 4 8 90 90 ARG .818 1.555 1.335 4 7 11 91 91 THR .546 1.159 .864 4 3 7 92 92 PHE .527 .880 .771 4 7 11 93 93 TYR .378 1.128 .947 4 8 12 94 94 VAL .451 .958 .714 4 3 7 95 95 ILE .316 1.318 .959 4 4 8 96 96 ILE .512 .813 .680 4 4 8 97 97 TYR .730 1.080 .977 4 8 12 98 98 GLY .949 .000 .949 4 0 4 99 99 HIS 1.146 5.337 4.197 4 6 10 100 100 ASN 1.119 3.109 2.337 4 4 8 101 101 MET 2.345 5.521 4.241 4 4 8 102 102 CYS 3.177 3.311 3.231 3 2 5 ENDMDL Model RMS deviations: 1.1456 2.2337 1.7951 407 440 847 MODEL 7 1 1 MET 7.758 10.218 9.072 4 4 8 2 2 ALA 5.592 5.679 5.610 4 1 5 3 3 ASP 2.905 3.889 3.432 4 4 8 4 4 THR 1.922 3.585 2.760 4 3 7 5 5 GLY .994 .000 .994 4 0 4 6 6 GLU 1.178 1.526 1.383 4 5 9 7 7 VAL .796 .945 .863 4 3 7 8 8 GLN .814 1.164 1.024 4 5 9 9 9 PHE .673 1.144 .999 4 7 11 10 10 MET .835 2.493 1.859 4 4 8 11 11 LYS .640 .887 .787 4 5 9 12 12 PRO .599 .786 .685 4 3 7 13 13 PHE .661 1.498 1.260 4 7 11 14 14 ILE .509 .792 .666 4 4 8 15 15 SER .626 .587 .614 4 2 6 16 16 GLU .579 1.331 1.065 4 5 9 17 17 LYS .344 1.345 1.029 4 5 9 18 18 SER .204 .938 .567 4 2 6 19 19 SER .445 1.405 .889 4 2 6 20 20 LYS .345 2.363 1.776 4 5 9 21 21 SER .359 .803 .548 4 2 6 22 22 LEU .200 .402 .317 4 4 8 23 23 GLU .220 1.781 1.335 4 5 9 24 24 ILE .173 .772 .559 4 4 8 25 25 PRO .491 .467 .481 4 3 7 26 26 LEU .690 1.301 1.042 4 4 8 27 27 GLY .804 .000 .804 4 0 4 28 28 PHE .721 .985 .898 4 7 11 29 29 ASN 1.007 1.700 1.397 4 4 8 30 30 GLU 1.138 2.822 2.236 4 5 9 31 31 TYR 1.088 1.363 1.278 4 8 12 32 32 PHE 1.023 1.138 1.098 4 7 11 33 33 PRO 1.104 1.222 1.156 4 3 7 34 34 ALA 1.024 .987 1.017 4 1 5 35 35 PRO .996 1.114 1.048 4 3 7 36 36 PHE .925 1.583 1.380 4 7 11 37 37 PRO .898 .886 .893 4 3 7 38 38 ILE .972 1.068 1.021 4 4 8 39 39 THR .791 .743 .771 4 3 7 40 40 VAL .716 1.053 .877 4 3 7 41 41 ASP .512 1.153 .892 4 4 8 42 42 LEU .233 .303 .270 4 4 8 43 43 LEU .633 .777 .708 4 4 8 44 44 ASP .800 1.153 .992 4 4 8 45 45 TYR .929 4.389 3.623 4 8 12 46 46 SER .731 1.932 1.265 4 2 6 47 47 GLY .815 .000 .815 4 0 4 48 48 ARG .391 .995 .828 4 7 11 49 49 SER .246 .231 .241 4 2 6 50 50 TRP .291 .466 .424 4 10 14 51 51 THR .224 .171 .203 4 3 7 52 52 VAL .341 .730 .543 4 3 7 53 53 ARG .440 1.369 1.123 4 7 11 54 54 MET .402 .521 .465 4 4 8 55 55 LYS .482 1.055 .850 4 5 9 56 56 LYS .740 1.732 1.382 4 5 9 57 57 ARG 1.117 1.720 1.529 4 7 11 58 58 GLY 1.540 .000 1.540 4 0 4 59 59 GLU .948 1.071 1.018 4 5 9 60 60 LYS .238 .834 .641 4 5 9 61 61 VAL .221 .742 .514 4 3 7 62 62 PHE .299 3.831 3.062 4 7 11 63 63 LEU .450 .776 .635 4 4 8 64 64 THR .420 1.733 1.178 4 3 7 65 65 VAL .369 1.361 .934 4 3 7 66 66 GLY .225 .000 .225 4 0 4 67 67 TRP .155 .312 .276 4 10 14 68 68 GLU .068 1.161 .867 4 5 9 69 69 ASN .163 .286 .233 4 4 8 70 70 PHE .197 .630 .517 4 7 11 71 71 VAL .266 .295 .279 4 3 7 72 72 LYS .427 1.085 .858 4 5 9 73 73 ASP .452 2.567 1.843 4 4 8 74 74 ASN .510 .961 .769 4 4 8 75 75 ASN .553 1.106 .874 4 4 8 76 76 LEU .557 1.215 .945 4 4 8 77 77 GLU .675 1.115 .945 4 5 9 78 78 ASP .795 1.000 .903 4 4 8 79 79 GLY .771 .000 .771 4 0 4 80 80 LYS .629 1.705 1.339 4 5 9 81 81 TYR .482 1.270 1.074 4 8 12 82 82 LEU .482 .993 .780 4 4 8 83 83 GLN .497 2.383 1.807 4 5 9 84 84 PHE .694 1.033 .924 4 7 11 85 85 ILE .700 .832 .769 4 4 8 86 86 TYR .679 3.013 2.491 4 8 12 87 87 ASP 1.068 1.507 1.306 4 4 8 88 88 ARG 1.284 2.220 1.933 4 7 11 89 89 ASP .762 3.276 2.379 4 4 8 90 90 ARG .724 1.467 1.249 4 7 11 91 91 THR .705 1.183 .940 4 3 7 92 92 PHE .484 1.071 .903 4 7 11 93 93 TYR .423 1.269 1.064 4 8 12 94 94 VAL .473 .938 .711 4 3 7 95 95 ILE .399 .709 .575 4 4 8 96 96 ILE .384 .811 .634 4 4 8 97 97 TYR .524 1.105 .952 4 8 12 98 98 GLY 1.561 .000 1.561 4 0 4 99 99 HIS 3.292 5.100 4.466 4 6 10 100 100 ASN 2.105 4.829 3.725 4 4 8 101 101 MET 1.631 5.360 3.962 4 4 8 102 102 CYS 2.742 2.349 2.592 3 2 5 ENDMDL Model RMS deviations: 1.3014 2.0945 1.7586 407 440 847 MODEL 8 1 1 MET 7.463 9.569 8.581 4 4 8 2 2 ALA 5.844 6.580 5.998 4 1 5 3 3 ASP 5.341 7.686 6.618 4 4 8 4 4 THR 2.433 3.652 3.016 4 3 7 5 5 GLY .860 .000 .860 4 0 4 6 6 GLU 1.254 1.558 1.431 4 5 9 7 7 VAL .965 1.254 1.098 4 3 7 8 8 GLN 1.064 1.614 1.397 4 5 9 9 9 PHE .908 1.899 1.611 4 7 11 10 10 MET .892 1.844 1.449 4 4 8 11 11 LYS .835 1.200 1.054 4 5 9 12 12 PRO .912 1.068 .982 4 3 7 13 13 PHE .798 2.980 2.426 4 7 11 14 14 ILE .818 1.181 1.016 4 4 8 15 15 SER .844 .612 .775 4 2 6 16 16 GLU 1.074 1.742 1.483 4 5 9 17 17 LYS .754 1.356 1.129 4 5 9 18 18 SER .497 .916 .666 4 2 6 19 19 SER .699 1.930 1.252 4 2 6 20 20 LYS .563 1.518 1.192 4 5 9 21 21 SER .468 1.040 .711 4 2 6 22 22 LEU .472 .515 .494 4 4 8 23 23 GLU .454 1.220 .959 4 5 9 24 24 ILE .576 .983 .806 4 4 8 25 25 PRO .788 .723 .761 4 3 7 26 26 LEU .969 .875 .923 4 4 8 27 27 GLY 1.071 .000 1.071 4 0 4 28 28 PHE .888 1.227 1.116 4 7 11 29 29 ASN .797 1.353 1.110 4 4 8 30 30 GLU 1.187 1.299 1.250 4 5 9 31 31 TYR 1.270 1.286 1.280 4 8 12 32 32 PHE 1.126 1.312 1.248 4 7 11 33 33 PRO 1.087 1.153 1.115 4 3 7 34 34 ALA .917 .981 .930 4 1 5 35 35 PRO .836 .977 .899 4 3 7 36 36 PHE .700 1.921 1.590 4 7 11 37 37 PRO .705 .704 .704 4 3 7 38 38 ILE .795 .967 .885 4 4 8 39 39 THR .604 .812 .701 4 3 7 40 40 VAL .598 .964 .776 4 3 7 41 41 ASP .430 .978 .756 4 4 8 42 42 LEU .543 .502 .523 4 4 8 43 43 LEU .705 1.090 .918 4 4 8 44 44 ASP .846 1.412 1.164 4 4 8 45 45 TYR 1.414 2.394 2.118 4 8 12 46 46 SER 1.193 2.651 1.814 4 2 6 47 47 GLY .647 .000 .647 4 0 4 48 48 ARG .511 1.616 1.326 4 7 11 49 49 SER .431 .440 .434 4 2 6 50 50 TRP .457 .491 .482 4 10 14 51 51 THR .474 .796 .632 4 3 7 52 52 VAL .269 1.215 .821 4 3 7 53 53 ARG .241 .764 .627 4 7 11 54 54 MET .201 1.185 .850 4 4 8 55 55 LYS .163 1.204 .904 4 5 9 56 56 LYS .229 1.656 1.244 4 5 9 57 57 ARG .210 1.612 1.292 4 7 11 58 58 GLY .238 .000 .238 4 0 4 59 59 GLU .286 1.280 .973 4 5 9 60 60 LYS .335 1.447 1.101 4 5 9 61 61 VAL .243 1.511 1.006 4 3 7 62 62 PHE .221 1.475 1.184 4 7 11 63 63 LEU .271 .792 .592 4 4 8 64 64 THR .383 .570 .472 4 3 7 65 65 VAL .516 .996 .760 4 3 7 66 66 GLY .430 .000 .430 4 0 4 67 67 TRP .228 .180 .195 4 10 14 68 68 GLU .318 .986 .765 4 5 9 69 69 ASN .307 .365 .337 4 4 8 70 70 PHE .305 .453 .405 4 7 11 71 71 VAL .329 .474 .397 4 3 7 72 72 LYS .351 1.317 1.009 4 5 9 73 73 ASP .346 .657 .525 4 4 8 74 74 ASN .324 .769 .590 4 4 8 75 75 ASN .357 .982 .739 4 4 8 76 76 LEU .503 .595 .551 4 4 8 77 77 GLU .777 1.321 1.113 4 5 9 78 78 ASP 1.109 1.199 1.155 4 4 8 79 79 GLY 1.123 .000 1.123 4 0 4 80 80 LYS 1.113 1.440 1.305 4 5 9 81 81 TYR .998 1.745 1.537 4 8 12 82 82 LEU .862 1.242 1.069 4 4 8 83 83 GLN .770 1.183 1.020 4 5 9 84 84 PHE .825 1.125 1.026 4 7 11 85 85 ILE .845 .890 .868 4 4 8 86 86 TYR 1.197 2.608 2.239 4 8 12 87 87 ASP 1.934 2.855 2.438 4 4 8 88 88 ARG .795 2.107 1.748 4 7 11 89 89 ASP .808 1.227 1.039 4 4 8 90 90 ARG .626 1.586 1.321 4 7 11 91 91 THR .541 1.325 .959 4 3 7 92 92 PHE .519 1.300 1.083 4 7 11 93 93 TYR .417 1.275 1.068 4 8 12 94 94 VAL .355 .718 .541 4 3 7 95 95 ILE .556 1.546 1.162 4 4 8 96 96 ILE .658 .803 .734 4 4 8 97 97 TYR .920 1.269 1.164 4 8 12 98 98 GLY 1.375 .000 1.375 4 0 4 99 99 HIS 1.645 4.840 3.891 4 6 10 100 100 ASN 2.589 4.051 3.400 4 4 8 101 101 MET 2.967 4.245 3.662 4 4 8 102 102 CYS 4.440 5.339 4.820 3 2 5 ENDMDL Model RMS deviations: 1.4442 2.0382 1.7777 407 440 847 MODEL 9 1 1 MET 5.283 5.718 5.505 4 4 8 2 2 ALA 5.117 6.251 5.363 4 1 5 3 3 ASP 3.165 5.128 4.261 4 4 8 4 4 THR 1.987 3.494 2.737 4 3 7 5 5 GLY 2.202 .000 2.202 4 0 4 6 6 GLU 1.112 1.912 1.606 4 5 9 7 7 VAL .561 1.207 .897 4 3 7 8 8 GLN .779 1.420 1.179 4 5 9 9 9 PHE .732 1.942 1.611 4 7 11 10 10 MET 1.166 2.560 1.989 4 4 8 11 11 LYS .931 2.726 2.125 4 5 9 12 12 PRO 1.139 2.030 1.584 4 3 7 13 13 PHE .613 2.070 1.692 4 7 11 14 14 ILE .725 .873 .803 4 4 8 15 15 SER .791 .756 .780 4 2 6 16 16 GLU .879 1.628 1.348 4 5 9 17 17 LYS .584 1.903 1.471 4 5 9 18 18 SER .748 1.743 1.177 4 2 6 19 19 SER .847 1.723 1.212 4 2 6 20 20 LYS .692 1.221 1.020 4 5 9 21 21 SER .769 .901 .815 4 2 6 22 22 LEU .530 .988 .793 4 4 8 23 23 GLU .583 1.158 .947 4 5 9 24 24 ILE .577 .891 .751 4 4 8 25 25 PRO .815 .938 .870 4 3 7 26 26 LEU .918 1.287 1.118 4 4 8 27 27 GLY 1.052 .000 1.052 4 0 4 28 28 PHE .864 1.420 1.247 4 7 11 29 29 ASN .750 1.787 1.371 4 4 8 30 30 GLU .644 1.492 1.192 4 5 9 31 31 TYR .357 1.268 1.056 4 8 12 32 32 PHE .236 .858 .699 4 7 11 33 33 PRO .339 .452 .391 4 3 7 34 34 ALA .401 .283 .380 4 1 5 35 35 PRO .506 .614 .555 4 3 7 36 36 PHE .564 3.661 2.940 4 7 11 37 37 PRO .494 .369 .445 4 3 7 38 38 ILE .549 .720 .640 4 4 8 39 39 THR .661 .526 .607 4 3 7 40 40 VAL .557 1.237 .912 4 3 7 41 41 ASP .690 .976 .845 4 4 8 42 42 LEU .777 .588 .689 4 4 8 43 43 LEU .950 1.116 1.037 4 4 8 44 44 ASP 1.246 1.483 1.369 4 4 8 45 45 TYR 2.062 4.599 3.939 4 8 12 46 46 SER 2.164 3.633 2.742 4 2 6 47 47 GLY 1.334 .000 1.334 4 0 4 48 48 ARG 1.198 2.661 2.243 4 7 11 49 49 SER .814 .676 .771 4 2 6 50 50 TRP .551 .944 .851 4 10 14 51 51 THR .450 .321 .400 4 3 7 52 52 VAL .414 1.407 .973 4 3 7 53 53 ARG .392 1.582 1.284 4 7 11 54 54 MET .329 .640 .509 4 4 8 55 55 LYS .474 1.694 1.301 4 5 9 56 56 LYS .529 1.632 1.266 4 5 9 57 57 ARG .308 1.969 1.582 4 7 11 58 58 GLY .543 .000 .543 4 0 4 59 59 GLU .641 2.328 1.787 4 5 9 60 60 LYS .490 2.662 2.010 4 5 9 61 61 VAL .277 .851 .595 4 3 7 62 62 PHE .350 1.017 .838 4 7 11 63 63 LEU .523 .802 .677 4 4 8 64 64 THR .615 .703 .655 4 3 7 65 65 VAL .738 1.547 1.156 4 3 7 66 66 GLY .820 .000 .820 4 0 4 67 67 TRP .775 .767 .770 4 10 14 68 68 GLU .759 2.101 1.646 4 5 9 69 69 ASN .704 .958 .841 4 4 8 70 70 PHE .657 1.267 1.086 4 7 11 71 71 VAL .600 .802 .694 4 3 7 72 72 LYS .691 1.608 1.284 4 5 9 73 73 ASP .682 1.612 1.238 4 4 8 74 74 ASN .508 1.122 .871 4 4 8 75 75 ASN .681 1.681 1.282 4 4 8 76 76 LEU .901 1.519 1.249 4 4 8 77 77 GLU .829 2.236 1.756 4 5 9 78 78 ASP .701 1.365 1.085 4 4 8 79 79 GLY .671 .000 .671 4 0 4 80 80 LYS .538 .753 .666 4 5 9 81 81 TYR .802 1.311 1.166 4 8 12 82 82 LEU 1.216 1.962 1.632 4 4 8 83 83 GLN 1.257 1.480 1.385 4 5 9 84 84 PHE 1.138 1.216 1.188 4 7 11 85 85 ILE 1.008 1.141 1.076 4 4 8 86 86 TYR .975 3.215 2.684 4 8 12 87 87 ASP 1.376 2.086 1.767 4 4 8 88 88 ARG .470 1.309 1.082 4 7 11 89 89 ASP .555 .899 .747 4 4 8 90 90 ARG .656 4.659 3.738 4 7 11 91 91 THR .694 1.265 .980 4 3 7 92 92 PHE .683 1.239 1.071 4 7 11 93 93 TYR .722 1.090 .983 4 8 12 94 94 VAL .799 1.600 1.209 4 3 7 95 95 ILE .831 .921 .877 4 4 8 96 96 ILE .794 .834 .814 4 4 8 97 97 TYR 1.121 1.237 1.199 4 8 12 98 98 GLY 2.188 .000 2.188 4 0 4 99 99 HIS 3.981 5.552 4.983 4 6 10 100 100 ASN 3.948 5.590 4.839 4 4 8 101 101 MET 3.898 6.738 5.504 4 4 8 102 102 CYS 5.349 7.299 6.203 3 2 5 ENDMDL Model RMS deviations: 1.4259 2.2635 1.9075 407 440 847 MODEL 10 1 1 MET 2.620 3.306 2.983 4 4 8 2 2 ALA 3.536 5.591 4.031 4 1 5 3 3 ASP 3.077 5.413 4.403 4 4 8 4 4 THR 2.907 4.951 3.916 4 3 7 5 5 GLY 1.934 .000 1.934 4 0 4 6 6 GLU 1.190 1.388 1.303 4 5 9 7 7 VAL .873 1.002 .931 4 3 7 8 8 GLN .664 1.573 1.253 4 5 9 9 9 PHE .501 2.967 2.386 4 7 11 10 10 MET .644 .807 .730 4 4 8 11 11 LYS .668 1.720 1.357 4 5 9 12 12 PRO .749 .807 .774 4 3 7 13 13 PHE .733 2.171 1.787 4 7 11 14 14 ILE .943 2.418 1.835 4 4 8 15 15 SER .838 1.176 .964 4 2 6 16 16 GLU .897 1.106 1.018 4 5 9 17 17 LYS .812 1.257 1.082 4 5 9 18 18 SER .802 .851 .819 4 2 6 19 19 SER .681 .983 .795 4 2 6 20 20 LYS 1.095 2.066 1.704 4 5 9 21 21 SER 1.064 1.163 1.098 4 2 6 22 22 LEU .951 1.202 1.083 4 4 8 23 23 GLU 1.294 1.540 1.436 4 5 9 24 24 ILE 1.071 .849 .966 4 4 8 25 25 PRO 1.136 1.342 1.229 4 3 7 26 26 LEU .885 1.595 1.290 4 4 8 27 27 GLY .782 .000 .782 4 0 4 28 28 PHE .693 1.586 1.332 4 7 11 29 29 ASN .492 1.167 .896 4 4 8 30 30 GLU .389 1.492 1.142 4 5 9 31 31 TYR .674 2.231 1.863 4 8 12 32 32 PHE .663 1.231 1.060 4 7 11 33 33 PRO .951 1.029 .986 4 3 7 34 34 ALA .976 .991 .979 4 1 5 35 35 PRO 1.061 1.409 1.223 4 3 7 36 36 PHE .903 1.391 1.236 4 7 11 37 37 PRO .687 .700 .693 4 3 7 38 38 ILE .809 .688 .751 4 4 8 39 39 THR .707 1.498 1.117 4 3 7 40 40 VAL .668 1.344 1.015 4 3 7 41 41 ASP .735 1.745 1.339 4 4 8 42 42 LEU .973 .596 .807 4 4 8 43 43 LEU 1.047 1.377 1.223 4 4 8 44 44 ASP 1.501 2.529 2.080 4 4 8 45 45 TYR 2.468 1.403 1.829 4 8 12 46 46 SER 2.606 5.599 3.870 4 2 6 47 47 GLY 1.893 .000 1.893 4 0 4 48 48 ARG .955 1.630 1.422 4 7 11 49 49 SER .396 .515 .439 4 2 6 50 50 TRP .564 .541 .548 4 10 14 51 51 THR .573 .840 .700 4 3 7 52 52 VAL .466 1.454 1.015 4 3 7 53 53 ARG .447 1.160 .963 4 7 11 54 54 MET .461 .517 .490 4 4 8 55 55 LYS .571 .737 .668 4 5 9 56 56 LYS .739 .991 .888 4 5 9 57 57 ARG .984 1.128 1.078 4 7 11 58 58 GLY 1.161 .000 1.161 4 0 4 59 59 GLU 1.153 2.123 1.759 4 5 9 60 60 LYS 1.227 4.047 3.126 4 5 9 61 61 VAL .930 .743 .855 4 3 7 62 62 PHE .759 1.595 1.352 4 7 11 63 63 LEU .684 .854 .774 4 4 8 64 64 THR .509 .889 .697 4 3 7 65 65 VAL .411 1.073 .768 4 3 7 66 66 GLY .367 .000 .367 4 0 4 67 67 TRP .495 .885 .794 4 10 14 68 68 GLU .631 1.601 1.265 4 5 9 69 69 ASN .802 1.152 .992 4 4 8 70 70 PHE .985 2.009 1.709 4 7 11 71 71 VAL .985 .868 .937 4 3 7 72 72 LYS 1.089 1.655 1.432 4 5 9 73 73 ASP 1.251 1.925 1.624 4 4 8 74 74 ASN 1.277 1.529 1.409 4 4 8 75 75 ASN 1.116 .912 1.019 4 4 8 76 76 LEU 1.055 2.267 1.768 4 4 8 77 77 GLU 1.139 1.523 1.366 4 5 9 78 78 ASP 1.362 2.253 1.862 4 4 8 79 79 GLY 1.181 .000 1.181 4 0 4 80 80 LYS 1.039 1.739 1.469 4 5 9 81 81 TYR .924 1.397 1.259 4 8 12 82 82 LEU 1.000 1.574 1.318 4 4 8 83 83 GLN 1.132 2.592 2.074 4 5 9 84 84 PHE .987 1.703 1.483 4 7 11 85 85 ILE .741 .715 .728 4 4 8 86 86 TYR .402 1.954 1.612 4 8 12 87 87 ASP .805 1.203 1.023 4 4 8 88 88 ARG 1.072 2.542 2.128 4 7 11 89 89 ASP .439 1.552 1.140 4 4 8 90 90 ARG .678 2.321 1.896 4 7 11 91 91 THR .393 1.578 1.075 4 3 7 92 92 PHE .374 1.122 .923 4 7 11 93 93 TYR .432 .953 .817 4 8 12 94 94 VAL .665 1.581 1.150 4 3 7 95 95 ILE .798 1.175 1.004 4 4 8 96 96 ILE .588 1.881 1.394 4 4 8 97 97 TYR .764 1.089 .993 4 8 12 98 98 GLY 1.700 .000 1.700 4 0 4 99 99 HIS 4.839 8.300 7.121 4 6 10 100 100 ASN 6.574 5.150 5.905 4 4 8 101 101 MET 7.837 6.488 7.194 4 4 8 102 102 CYS 8.094 8.493 8.256 3 2 5 ENDMDL Model RMS deviations: 1.7284 2.2439 2.0128 407 440 847 MODEL 11 1 1 MET 7.859 8.611 8.244 4 4 8 2 2 ALA 6.650 7.787 6.892 4 1 5 3 3 ASP 3.225 5.391 4.442 4 4 8 4 4 THR 1.489 2.577 2.028 4 3 7 5 5 GLY 2.374 .000 2.374 4 0 4 6 6 GLU 1.061 2.860 2.246 4 5 9 7 7 VAL .807 .785 .798 4 3 7 8 8 GLN .824 1.480 1.233 4 5 9 9 9 PHE .738 1.013 .923 4 7 11 10 10 MET .747 2.111 1.583 4 4 8 11 11 LYS .720 1.896 1.492 4 5 9 12 12 PRO .881 1.100 .981 4 3 7 13 13 PHE .744 3.164 2.563 4 7 11 14 14 ILE .744 .911 .832 4 4 8 15 15 SER .796 .640 .748 4 2 6 16 16 GLU .847 1.339 1.147 4 5 9 17 17 LYS .868 1.400 1.193 4 5 9 18 18 SER .789 .997 .864 4 2 6 19 19 SER .661 .896 .748 4 2 6 20 20 LYS .597 2.482 1.892 4 5 9 21 21 SER .611 .877 .711 4 2 6 22 22 LEU .715 .996 .867 4 4 8 23 23 GLU 1.007 2.624 2.068 4 5 9 24 24 ILE .877 .815 .846 4 4 8 25 25 PRO .974 1.103 1.031 4 3 7 26 26 LEU .809 1.004 .912 4 4 8 27 27 GLY .813 .000 .813 4 0 4 28 28 PHE .678 1.795 1.489 4 7 11 29 29 ASN .623 2.770 2.007 4 4 8 30 30 GLU .606 .633 .621 4 5 9 31 31 TYR .558 1.090 .946 4 8 12 32 32 PHE .448 1.158 .962 4 7 11 33 33 PRO .492 .557 .521 4 3 7 34 34 ALA .436 .401 .429 4 1 5 35 35 PRO .395 .476 .432 4 3 7 36 36 PHE .350 3.444 2.756 4 7 11 37 37 PRO .231 .212 .223 4 3 7 38 38 ILE .288 .271 .280 4 4 8 39 39 THR .257 .564 .417 4 3 7 40 40 VAL .451 1.438 1.002 4 3 7 41 41 ASP .489 1.404 1.051 4 4 8 42 42 LEU .618 .618 .618 4 4 8 43 43 LEU .772 .797 .785 4 4 8 44 44 ASP 1.075 1.279 1.181 4 4 8 45 45 TYR 1.864 2.089 2.017 4 8 12 46 46 SER 1.809 3.246 2.386 4 2 6 47 47 GLY 1.144 .000 1.144 4 0 4 48 48 ARG 1.314 2.874 2.426 4 7 11 49 49 SER 1.107 1.142 1.119 4 2 6 50 50 TRP .707 .916 .861 4 10 14 51 51 THR .651 .627 .641 4 3 7 52 52 VAL .414 1.672 1.139 4 3 7 53 53 ARG .322 2.589 2.074 4 7 11 54 54 MET .168 .317 .254 4 4 8 55 55 LYS .366 .687 .567 4 5 9 56 56 LYS .504 .817 .695 4 5 9 57 57 ARG .655 1.425 1.204 4 7 11 58 58 GLY .613 .000 .613 4 0 4 59 59 GLU .712 1.964 1.539 4 5 9 60 60 LYS .842 .743 .789 4 5 9 61 61 VAL .740 .714 .729 4 3 7 62 62 PHE .587 1.659 1.370 4 7 11 63 63 LEU .532 .829 .697 4 4 8 64 64 THR .345 .686 .519 4 3 7 65 65 VAL .305 .957 .668 4 3 7 66 66 GLY .196 .000 .196 4 0 4 67 67 TRP .231 .553 .484 4 10 14 68 68 GLU .303 1.031 .795 4 5 9 69 69 ASN .417 .546 .486 4 4 8 70 70 PHE .524 .901 .785 4 7 11 71 71 VAL .315 .379 .344 4 3 7 72 72 LYS .211 2.663 1.990 4 5 9 73 73 ASP .411 2.733 1.954 4 4 8 74 74 ASN .525 1.309 .997 4 4 8 75 75 ASN .623 .816 .726 4 4 8 76 76 LEU .745 1.908 1.448 4 4 8 77 77 GLU .708 2.175 1.689 4 5 9 78 78 ASP .720 1.277 1.036 4 4 8 79 79 GLY .783 .000 .783 4 0 4 80 80 LYS .623 .709 .672 4 5 9 81 81 TYR .762 1.307 1.155 4 8 12 82 82 LEU .851 1.341 1.123 4 4 8 83 83 GLN .871 .881 .877 4 5 9 84 84 PHE .817 1.905 1.597 4 7 11 85 85 ILE .693 1.297 1.040 4 4 8 86 86 TYR .635 2.781 2.300 4 8 12 87 87 ASP 1.426 2.357 1.948 4 4 8 88 88 ARG 1.576 2.137 1.951 4 7 11 89 89 ASP 1.352 1.416 1.384 4 4 8 90 90 ARG 1.241 2.626 2.225 4 7 11 91 91 THR .971 1.334 1.141 4 3 7 92 92 PHE 1.026 1.389 1.269 4 7 11 93 93 TYR .850 1.271 1.148 4 8 12 94 94 VAL .852 1.543 1.198 4 3 7 95 95 ILE .786 .979 .888 4 4 8 96 96 ILE .834 2.036 1.556 4 4 8 97 97 TYR .831 1.119 1.032 4 8 12 98 98 GLY 1.508 .000 1.508 4 0 4 99 99 HIS 1.180 3.540 2.842 4 6 10 100 100 ASN 2.291 2.605 2.453 4 4 8 101 101 MET 5.880 8.035 7.040 4 4 8 102 102 CYS 7.298 8.525 7.812 3 2 5 ENDMDL Model RMS deviations: 1.6122 2.2105 1.9461 407 440 847 MODEL 12 1 1 MET 4.028 2.353 3.299 4 4 8 2 2 ALA 5.637 7.381 6.026 4 1 5 3 3 ASP 4.802 6.666 5.809 4 4 8 4 4 THR 2.642 3.941 3.263 4 3 7 5 5 GLY .985 .000 .985 4 0 4 6 6 GLU .543 1.306 1.038 4 5 9 7 7 VAL .506 .800 .648 4 3 7 8 8 GLN .594 1.635 1.281 4 5 9 9 9 PHE .565 1.432 1.192 4 7 11 10 10 MET .766 2.765 2.029 4 4 8 11 11 LYS .634 1.551 1.231 4 5 9 12 12 PRO .663 1.180 .921 4 3 7 13 13 PHE .736 2.032 1.680 4 7 11 14 14 ILE .516 1.325 1.005 4 4 8 15 15 SER .563 1.453 .957 4 2 6 16 16 GLU .356 1.940 1.466 4 5 9 17 17 LYS .288 1.573 1.188 4 5 9 18 18 SER .459 .844 .615 4 2 6 19 19 SER .446 1.025 .695 4 2 6 20 20 LYS .913 2.345 1.850 4 5 9 21 21 SER .255 .846 .531 4 2 6 22 22 LEU .532 1.491 1.120 4 4 8 23 23 GLU .599 1.303 1.050 4 5 9 24 24 ILE .450 .656 .563 4 4 8 25 25 PRO .596 .588 .592 4 3 7 26 26 LEU .707 .619 .665 4 4 8 27 27 GLY .829 .000 .829 4 0 4 28 28 PHE .506 1.234 1.030 4 7 11 29 29 ASN .674 1.838 1.384 4 4 8 30 30 GLU .682 1.716 1.357 4 5 9 31 31 TYR .749 2.206 1.852 4 8 12 32 32 PHE .662 1.025 .910 4 7 11 33 33 PRO .661 .672 .666 4 3 7 34 34 ALA .631 .653 .635 4 1 5 35 35 PRO .652 .758 .699 4 3 7 36 36 PHE .629 1.312 1.113 4 7 11 37 37 PRO .568 .474 .530 4 3 7 38 38 ILE .624 .771 .701 4 4 8 39 39 THR .566 1.541 1.096 4 3 7 40 40 VAL .643 .915 .772 4 3 7 41 41 ASP .314 1.316 .957 4 4 8 42 42 LEU .305 .340 .323 4 4 8 43 43 LEU .275 .593 .462 4 4 8 44 44 ASP .618 2.112 1.556 4 4 8 45 45 TYR 1.566 1.905 1.799 4 8 12 46 46 SER 1.481 4.723 2.983 4 2 6 47 47 GLY .819 .000 .819 4 0 4 48 48 ARG 1.195 2.224 1.915 4 7 11 49 49 SER 1.462 1.616 1.515 4 2 6 50 50 TRP 1.038 1.813 1.629 4 10 14 51 51 THR 1.223 1.140 1.188 4 3 7 52 52 VAL .804 1.629 1.227 4 3 7 53 53 ARG .705 .925 .852 4 7 11 54 54 MET .442 1.105 .841 4 4 8 55 55 LYS .354 1.103 .855 4 5 9 56 56 LYS .609 .600 .604 4 5 9 57 57 ARG 1.106 1.930 1.678 4 7 11 58 58 GLY 1.197 .000 1.197 4 0 4 59 59 GLU 1.494 2.455 2.083 4 5 9 60 60 LYS 1.311 2.871 2.311 4 5 9 61 61 VAL 1.203 1.752 1.464 4 3 7 62 62 PHE .779 3.894 3.142 4 7 11 63 63 LEU .620 .946 .800 4 4 8 64 64 THR .530 .582 .553 4 3 7 65 65 VAL .458 1.115 .808 4 3 7 66 66 GLY .630 .000 .630 4 0 4 67 67 TRP .635 .706 .687 4 10 14 68 68 GLU .648 1.251 1.028 4 5 9 69 69 ASN .860 1.256 1.076 4 4 8 70 70 PHE .932 1.114 1.051 4 7 11 71 71 VAL .622 .648 .634 4 3 7 72 72 LYS .323 1.073 .828 4 5 9 73 73 ASP .627 1.310 1.027 4 4 8 74 74 ASN .948 1.527 1.271 4 4 8 75 75 ASN .936 1.018 .978 4 4 8 76 76 LEU 1.420 1.819 1.632 4 4 8 77 77 GLU 1.106 1.949 1.629 4 5 9 78 78 ASP .432 .972 .752 4 4 8 79 79 GLY .327 .000 .327 4 0 4 80 80 LYS .263 .695 .547 4 5 9 81 81 TYR .291 .852 .716 4 8 12 82 82 LEU .477 1.433 1.068 4 4 8 83 83 GLN .505 2.152 1.639 4 5 9 84 84 PHE .772 1.085 .983 4 7 11 85 85 ILE .924 1.288 1.121 4 4 8 86 86 TYR 1.048 2.305 1.977 4 8 12 87 87 ASP 1.550 1.358 1.457 4 4 8 88 88 ARG .950 1.775 1.528 4 7 11 89 89 ASP .753 .897 .828 4 4 8 90 90 ARG .580 1.852 1.518 4 7 11 91 91 THR .476 1.129 .822 4 3 7 92 92 PHE .569 1.338 1.121 4 7 11 93 93 TYR .739 4.667 3.835 4 8 12 94 94 VAL .627 1.053 .837 4 3 7 95 95 ILE .600 1.047 .853 4 4 8 96 96 ILE .431 .764 .620 4 4 8 97 97 TYR .534 1.229 1.050 4 8 12 98 98 GLY 1.206 .000 1.206 4 0 4 99 99 HIS 1.641 5.168 4.135 4 6 10 100 100 ASN 4.016 6.976 5.692 4 4 8 101 101 MET 6.121 6.998 6.574 4 4 8 102 102 CYS 7.366 9.667 8.363 3 2 5 ENDMDL Model RMS deviations: 1.5120 2.2587 1.9362 407 440 847 MODEL 13 1 1 MET 1.779 2.281 2.045 4 4 8 2 2 ALA 3.030 4.408 3.351 4 1 5 3 3 ASP 2.353 4.704 3.719 4 4 8 4 4 THR 2.042 3.687 2.865 4 3 7 5 5 GLY 1.539 .000 1.539 4 0 4 6 6 GLU 1.317 2.194 1.856 4 5 9 7 7 VAL 1.287 1.733 1.495 4 3 7 8 8 GLN .659 1.359 1.104 4 5 9 9 9 PHE .637 1.379 1.165 4 7 11 10 10 MET .729 1.815 1.383 4 4 8 11 11 LYS .663 .853 .774 4 5 9 12 12 PRO .668 .800 .727 4 3 7 13 13 PHE .694 1.547 1.303 4 7 11 14 14 ILE .513 1.015 .804 4 4 8 15 15 SER .544 1.839 1.151 4 2 6 16 16 GLU .464 1.530 1.181 4 5 9 17 17 LYS .227 .919 .702 4 5 9 18 18 SER .321 1.340 .817 4 2 6 19 19 SER .468 .989 .687 4 2 6 20 20 LYS .387 2.878 2.161 4 5 9 21 21 SER .433 .837 .599 4 2 6 22 22 LEU .428 .474 .451 4 4 8 23 23 GLU .435 2.169 1.642 4 5 9 24 24 ILE .411 .539 .479 4 4 8 25 25 PRO .609 .737 .667 4 3 7 26 26 LEU .654 .889 .780 4 4 8 27 27 GLY .648 .000 .648 4 0 4 28 28 PHE .617 1.311 1.110 4 7 11 29 29 ASN .496 1.170 .899 4 4 8 30 30 GLU .551 .828 .718 4 5 9 31 31 TYR .566 1.166 1.007 4 8 12 32 32 PHE .490 1.111 .934 4 7 11 33 33 PRO .397 .398 .397 4 3 7 34 34 ALA .331 .363 .338 4 1 5 35 35 PRO .265 .266 .266 4 3 7 36 36 PHE .209 .730 .596 4 7 11 37 37 PRO .185 .225 .203 4 3 7 38 38 ILE .142 .669 .483 4 4 8 39 39 THR .125 1.166 .769 4 3 7 40 40 VAL .237 1.170 .787 4 3 7 41 41 ASP .385 1.732 1.254 4 4 8 42 42 LEU .399 .400 .400 4 4 8 43 43 LEU .203 .577 .432 4 4 8 44 44 ASP .097 1.091 .775 4 4 8 45 45 TYR .681 3.429 2.828 4 8 12 46 46 SER .937 2.280 1.523 4 2 6 47 47 GLY .551 .000 .551 4 0 4 48 48 ARG .415 1.668 1.354 4 7 11 49 49 SER .349 .289 .330 4 2 6 50 50 TRP .392 .380 .384 4 10 14 51 51 THR .499 .582 .536 4 3 7 52 52 VAL .484 .946 .719 4 3 7 53 53 ARG .455 1.350 1.111 4 7 11 54 54 MET .484 .619 .556 4 4 8 55 55 LYS .593 1.710 1.334 4 5 9 56 56 LYS .725 1.873 1.478 4 5 9 57 57 ARG .567 1.217 1.029 4 7 11 58 58 GLY .706 .000 .706 4 0 4 59 59 GLU .700 2.705 2.070 4 5 9 60 60 LYS .605 1.725 1.348 4 5 9 61 61 VAL .479 1.070 .789 4 3 7 62 62 PHE .538 1.702 1.396 4 7 11 63 63 LEU .575 .984 .806 4 4 8 64 64 THR .505 .621 .558 4 3 7 65 65 VAL .483 1.233 .886 4 3 7 66 66 GLY .505 .000 .505 4 0 4 67 67 TRP .332 .354 .348 4 10 14 68 68 GLU .453 1.447 1.120 4 5 9 69 69 ASN .469 .706 .599 4 4 8 70 70 PHE .336 .500 .448 4 7 11 71 71 VAL .565 .623 .591 4 3 7 72 72 LYS .681 2.827 2.156 4 5 9 73 73 ASP .415 .784 .627 4 4 8 74 74 ASN .555 1.387 1.056 4 4 8 75 75 ASN .810 2.203 1.659 4 4 8 76 76 LEU .973 1.666 1.364 4 4 8 77 77 GLU .877 1.405 1.199 4 5 9 78 78 ASP .730 .790 .761 4 4 8 79 79 GLY .755 .000 .755 4 0 4 80 80 LYS .668 1.424 1.151 4 5 9 81 81 TYR .558 1.737 1.454 4 8 12 82 82 LEU .483 1.032 .806 4 4 8 83 83 GLN .347 2.096 1.579 4 5 9 84 84 PHE .452 1.155 .961 4 7 11 85 85 ILE .523 .653 .592 4 4 8 86 86 TYR .752 2.393 2.001 4 8 12 87 87 ASP 1.231 2.013 1.669 4 4 8 88 88 ARG .344 1.894 1.525 4 7 11 89 89 ASP .655 1.431 1.113 4 4 8 90 90 ARG .514 1.491 1.229 4 7 11 91 91 THR .619 1.236 .935 4 3 7 92 92 PHE .367 .942 .784 4 7 11 93 93 TYR .303 .960 .803 4 8 12 94 94 VAL .540 .969 .754 4 3 7 95 95 ILE .516 1.395 1.052 4 4 8 96 96 ILE .566 1.448 1.099 4 4 8 97 97 TYR .934 1.491 1.332 4 8 12 98 98 GLY 1.105 .000 1.105 4 0 4 99 99 HIS 1.154 2.392 1.992 4 6 10 100 100 ASN 2.985 3.780 3.406 4 4 8 101 101 MET 3.509 6.111 4.983 4 4 8 102 102 CYS 4.829 4.321 4.633 3 2 5 ENDMDL Model RMS deviations: .9755 1.7426 1.4265 407 440 847 MODEL 14 1 1 MET 2.734 3.720 3.265 4 4 8 2 2 ALA 2.110 2.629 2.223 4 1 5 3 3 ASP 3.075 5.101 4.211 4 4 8 4 4 THR 2.481 2.872 2.656 4 3 7 5 5 GLY 1.391 .000 1.391 4 0 4 6 6 GLU 1.081 2.764 2.183 4 5 9 7 7 VAL .868 1.132 .990 4 3 7 8 8 GLN .983 2.330 1.856 4 5 9 9 9 PHE 1.024 1.575 1.400 4 7 11 10 10 MET 1.180 1.478 1.337 4 4 8 11 11 LYS .978 1.657 1.397 4 5 9 12 12 PRO .827 1.002 .906 4 3 7 13 13 PHE .582 3.020 2.435 4 7 11 14 14 ILE .556 .706 .636 4 4 8 15 15 SER .257 1.399 .835 4 2 6 16 16 GLU .271 1.343 1.017 4 5 9 17 17 LYS .220 1.557 1.169 4 5 9 18 18 SER .348 .722 .504 4 2 6 19 19 SER .237 1.180 .708 4 2 6 20 20 LYS .425 2.498 1.883 4 5 9 21 21 SER .402 1.152 .742 4 2 6 22 22 LEU .252 .665 .503 4 4 8 23 23 GLU .272 1.747 1.315 4 5 9 24 24 ILE .198 .744 .544 4 4 8 25 25 PRO .186 .132 .165 4 3 7 26 26 LEU .348 .590 .485 4 4 8 27 27 GLY .324 .000 .324 4 0 4 28 28 PHE .233 1.023 .828 4 7 11 29 29 ASN .309 1.317 .957 4 4 8 30 30 GLU .449 .939 .761 4 5 9 31 31 TYR .403 1.234 1.034 4 8 12 32 32 PHE .394 .929 .779 4 7 11 33 33 PRO .438 .438 .438 4 3 7 34 34 ALA .450 .453 .451 4 1 5 35 35 PRO .496 .566 .527 4 3 7 36 36 PHE .505 .996 .851 4 7 11 37 37 PRO .482 .411 .453 4 3 7 38 38 ILE .508 .814 .678 4 4 8 39 39 THR .473 .829 .650 4 3 7 40 40 VAL .221 .958 .649 4 3 7 41 41 ASP .454 1.713 1.253 4 4 8 42 42 LEU .340 .400 .371 4 4 8 43 43 LEU .328 .315 .322 4 4 8 44 44 ASP .398 .936 .719 4 4 8 45 45 TYR .669 3.904 3.211 4 8 12 46 46 SER .879 2.061 1.390 4 2 6 47 47 GLY .607 .000 .607 4 0 4 48 48 ARG .333 2.905 2.326 4 7 11 49 49 SER .265 .573 .395 4 2 6 50 50 TRP .220 .202 .207 4 10 14 51 51 THR .207 .330 .267 4 3 7 52 52 VAL .221 .877 .598 4 3 7 53 53 ARG .323 1.892 1.522 4 7 11 54 54 MET .320 .401 .363 4 4 8 55 55 LYS .388 1.352 1.041 4 5 9 56 56 LYS .605 1.302 1.051 4 5 9 57 57 ARG .802 2.575 2.111 4 7 11 58 58 GLY .959 .000 .959 4 0 4 59 59 GLU .637 1.209 .997 4 5 9 60 60 LYS .783 1.081 .960 4 5 9 61 61 VAL .472 .947 .715 4 3 7 62 62 PHE .241 1.609 1.292 4 7 11 63 63 LEU .249 .606 .463 4 4 8 64 64 THR .376 .509 .438 4 3 7 65 65 VAL .463 1.281 .908 4 3 7 66 66 GLY .433 .000 .433 4 0 4 67 67 TRP .359 .420 .404 4 10 14 68 68 GLU .272 1.506 1.137 4 5 9 69 69 ASN .320 .571 .463 4 4 8 70 70 PHE .273 .501 .432 4 7 11 71 71 VAL .289 .180 .248 4 3 7 72 72 LYS .415 2.429 1.831 4 5 9 73 73 ASP .346 .695 .549 4 4 8 74 74 ASN .412 .723 .588 4 4 8 75 75 ASN .521 2.414 1.746 4 4 8 76 76 LEU .497 2.092 1.520 4 4 8 77 77 GLU .594 1.009 .850 4 5 9 78 78 ASP .707 1.312 1.054 4 4 8 79 79 GLY .826 .000 .826 4 0 4 80 80 LYS .711 1.323 1.094 4 5 9 81 81 TYR .645 .954 .864 4 8 12 82 82 LEU .584 1.386 1.064 4 4 8 83 83 GLN .720 1.168 .994 4 5 9 84 84 PHE .686 1.412 1.200 4 7 11 85 85 ILE .673 .843 .763 4 4 8 86 86 TYR .846 1.743 1.505 4 8 12 87 87 ASP 1.521 1.620 1.572 4 4 8 88 88 ARG .738 2.405 1.970 4 7 11 89 89 ASP .834 1.569 1.256 4 4 8 90 90 ARG .636 1.922 1.580 4 7 11 91 91 THR .582 .968 .772 4 3 7 92 92 PHE .502 .924 .797 4 7 11 93 93 TYR .700 .995 .907 4 8 12 94 94 VAL .843 .989 .909 4 3 7 95 95 ILE .753 .827 .791 4 4 8 96 96 ILE .999 1.265 1.140 4 4 8 97 97 TYR 1.075 1.241 1.188 4 8 12 98 98 GLY 1.519 .000 1.519 4 0 4 99 99 HIS 1.962 2.482 2.288 4 6 10 100 100 ASN 2.800 4.773 3.913 4 4 8 101 101 MET 5.024 6.179 5.632 4 4 8 102 102 CYS 7.136 8.609 7.759 3 2 5 ENDMDL Model RMS deviations: 1.1711 1.8934 1.5879 407 440 847 MODEL 15 1 1 MET 5.899 7.155 6.557 4 4 8 2 2 ALA 3.940 5.158 4.212 4 1 5 3 3 ASP 2.906 2.515 2.718 4 4 8 4 4 THR 3.103 5.565 4.333 4 3 7 5 5 GLY 1.083 .000 1.083 4 0 4 6 6 GLU .854 2.429 1.898 4 5 9 7 7 VAL .470 .621 .540 4 3 7 8 8 GLN .847 2.047 1.627 4 5 9 9 9 PHE .871 3.762 3.047 4 7 11 10 10 MET .956 1.344 1.166 4 4 8 11 11 LYS .882 2.206 1.746 4 5 9 12 12 PRO .737 .950 .835 4 3 7 13 13 PHE .680 3.399 2.742 4 7 11 14 14 ILE .518 1.148 .891 4 4 8 15 15 SER .475 .693 .557 4 2 6 16 16 GLU .696 .934 .837 4 5 9 17 17 LYS .885 1.452 1.233 4 5 9 18 18 SER .950 .920 .940 4 2 6 19 19 SER .760 1.255 .954 4 2 6 20 20 LYS .836 4.592 3.468 4 5 9 21 21 SER 1.006 .897 .971 4 2 6 22 22 LEU .504 .561 .533 4 4 8 23 23 GLU .588 2.085 1.602 4 5 9 24 24 ILE .724 .753 .738 4 4 8 25 25 PRO .941 .942 .941 4 3 7 26 26 LEU .984 1.267 1.134 4 4 8 27 27 GLY .780 .000 .780 4 0 4 28 28 PHE .568 2.570 2.078 4 7 11 29 29 ASN .711 2.002 1.502 4 4 8 30 30 GLU .860 1.191 1.057 4 5 9 31 31 TYR .774 .949 .895 4 8 12 32 32 PHE .656 1.091 .956 4 7 11 33 33 PRO .687 .857 .765 4 3 7 34 34 ALA .479 .470 .477 4 1 5 35 35 PRO .402 .522 .458 4 3 7 36 36 PHE .367 1.279 1.044 4 7 11 37 37 PRO .538 .500 .522 4 3 7 38 38 ILE .745 1.142 .964 4 4 8 39 39 THR .799 1.411 1.104 4 3 7 40 40 VAL .723 1.018 .862 4 3 7 41 41 ASP .603 1.310 1.020 4 4 8 42 42 LEU .577 .590 .583 4 4 8 43 43 LEU .493 .915 .735 4 4 8 44 44 ASP .715 1.212 .995 4 4 8 45 45 TYR 1.951 3.348 2.957 4 8 12 46 46 SER 2.142 5.102 3.426 4 2 6 47 47 GLY 1.364 .000 1.364 4 0 4 48 48 ARG .323 3.866 3.090 4 7 11 49 49 SER .589 .599 .592 4 2 6 50 50 TRP .577 .772 .722 4 10 14 51 51 THR .714 .964 .830 4 3 7 52 52 VAL .594 .889 .735 4 3 7 53 53 ARG .447 1.748 1.420 4 7 11 54 54 MET .456 .556 .509 4 4 8 55 55 LYS .595 2.588 1.969 4 5 9 56 56 LYS .708 1.293 1.073 4 5 9 57 57 ARG .687 2.915 2.362 4 7 11 58 58 GLY .982 .000 .982 4 0 4 59 59 GLU 1.184 1.563 1.407 4 5 9 60 60 LYS .834 3.464 2.641 4 5 9 61 61 VAL .457 1.124 .813 4 3 7 62 62 PHE .229 1.135 .916 4 7 11 63 63 LEU .374 .794 .621 4 4 8 64 64 THR .479 1.849 1.264 4 3 7 65 65 VAL .617 1.024 .817 4 3 7 66 66 GLY .757 .000 .757 4 0 4 67 67 TRP .692 .533 .583 4 10 14 68 68 GLU .768 2.384 1.849 4 5 9 69 69 ASN .838 1.259 1.070 4 4 8 70 70 PHE .902 .955 .936 4 7 11 71 71 VAL .907 .993 .945 4 3 7 72 72 LYS .765 1.958 1.546 4 5 9 73 73 ASP .733 .952 .850 4 4 8 74 74 ASN .803 1.169 1.003 4 4 8 75 75 ASN .814 1.030 .928 4 4 8 76 76 LEU .981 1.191 1.091 4 4 8 77 77 GLU .474 2.024 1.542 4 5 9 78 78 ASP .637 1.019 .850 4 4 8 79 79 GLY .523 .000 .523 4 0 4 80 80 LYS .604 .887 .774 4 5 9 81 81 TYR .739 1.111 1.002 4 8 12 82 82 LEU .642 1.362 1.065 4 4 8 83 83 GLN .593 1.824 1.416 4 5 9 84 84 PHE .331 1.034 .849 4 7 11 85 85 ILE .376 .778 .611 4 4 8 86 86 TYR .396 2.508 2.060 4 8 12 87 87 ASP 1.230 1.058 1.147 4 4 8 88 88 ARG 1.485 1.882 1.748 4 7 11 89 89 ASP .881 1.250 1.081 4 4 8 90 90 ARG .558 3.711 2.980 4 7 11 91 91 THR .605 1.295 .963 4 3 7 92 92 PHE .678 1.093 .963 4 7 11 93 93 TYR .604 1.351 1.157 4 8 12 94 94 VAL .578 .937 .753 4 3 7 95 95 ILE .479 1.002 .785 4 4 8 96 96 ILE .748 1.835 1.401 4 4 8 97 97 TYR .797 1.768 1.515 4 8 12 98 98 GLY 1.489 .000 1.489 4 0 4 99 99 HIS 2.308 5.613 4.587 4 6 10 100 100 ASN 2.009 2.233 2.124 4 4 8 101 101 MET 3.968 5.906 5.031 4 4 8 102 102 CYS 6.873 7.184 6.999 3 2 5 ENDMDL Model RMS deviations: 1.3623 2.2677 1.8876 407 440 847 MODEL 16 1 1 MET 9.527 11.603 10.616 4 4 8 2 2 ALA 7.122 7.865 7.277 4 1 5 3 3 ASP 3.638 3.682 3.660 4 4 8 4 4 THR 3.531 6.169 4.841 4 3 7 5 5 GLY 1.775 .000 1.775 4 0 4 6 6 GLU 1.141 1.629 1.432 4 5 9 7 7 VAL 1.089 1.347 1.206 4 3 7 8 8 GLN .838 1.418 1.196 4 5 9 9 9 PHE .794 2.648 2.166 4 7 11 10 10 MET .727 1.386 1.106 4 4 8 11 11 LYS .722 1.565 1.262 4 5 9 12 12 PRO .723 1.074 .890 4 3 7 13 13 PHE .623 1.857 1.528 4 7 11 14 14 ILE .605 .840 .732 4 4 8 15 15 SER .812 1.066 .905 4 2 6 16 16 GLU 1.004 2.850 2.227 4 5 9 17 17 LYS .822 2.142 1.688 4 5 9 18 18 SER .742 1.603 1.106 4 2 6 19 19 SER .789 1.134 .918 4 2 6 20 20 LYS .976 3.521 2.704 4 5 9 21 21 SER .745 .629 .709 4 2 6 22 22 LEU .329 1.154 .848 4 4 8 23 23 GLU .495 1.886 1.444 4 5 9 24 24 ILE .622 .819 .727 4 4 8 25 25 PRO .760 .704 .737 4 3 7 26 26 LEU .741 .838 .791 4 4 8 27 27 GLY .903 .000 .903 4 0 4 28 28 PHE 1.019 1.624 1.434 4 7 11 29 29 ASN .905 2.793 2.076 4 4 8 30 30 GLU 1.015 1.686 1.427 4 5 9 31 31 TYR 1.187 1.567 1.451 4 8 12 32 32 PHE 1.228 1.239 1.235 4 7 11 33 33 PRO 1.319 1.353 1.334 4 3 7 34 34 ALA 1.308 1.283 1.303 4 1 5 35 35 PRO 1.337 1.455 1.389 4 3 7 36 36 PHE 1.288 1.720 1.577 4 7 11 37 37 PRO 1.162 1.079 1.127 4 3 7 38 38 ILE 1.173 1.393 1.288 4 4 8 39 39 THR .799 1.014 .897 4 3 7 40 40 VAL .453 1.227 .873 4 3 7 41 41 ASP .427 .826 .658 4 4 8 42 42 LEU .483 1.869 1.365 4 4 8 43 43 LEU .537 .953 .773 4 4 8 44 44 ASP .508 3.218 2.304 4 4 8 45 45 TYR 1.226 2.050 1.817 4 8 12 46 46 SER 1.187 4.402 2.720 4 2 6 47 47 GLY 1.277 .000 1.277 4 0 4 48 48 ARG 1.178 2.257 1.936 4 7 11 49 49 SER 1.181 1.313 1.227 4 2 6 50 50 TRP .845 1.849 1.627 4 10 14 51 51 THR .916 .825 .878 4 3 7 52 52 VAL 1.018 1.670 1.337 4 3 7 53 53 ARG 1.096 1.945 1.686 4 7 11 54 54 MET .907 1.067 .990 4 4 8 55 55 LYS .576 2.377 1.813 4 5 9 56 56 LYS .552 1.781 1.378 4 5 9 57 57 ARG .587 1.365 1.145 4 7 11 58 58 GLY .726 .000 .726 4 0 4 59 59 GLU .624 1.860 1.447 4 5 9 60 60 LYS .650 2.125 1.642 4 5 9 61 61 VAL .883 .981 .926 4 3 7 62 62 PHE 1.016 1.702 1.489 4 7 11 63 63 LEU 1.023 1.586 1.335 4 4 8 64 64 THR 1.281 1.670 1.460 4 3 7 65 65 VAL 1.160 1.753 1.444 4 3 7 66 66 GLY .984 .000 .984 4 0 4 67 67 TRP .849 .638 .705 4 10 14 68 68 GLU .855 2.078 1.651 4 5 9 69 69 ASN 1.006 1.351 1.191 4 4 8 70 70 PHE .737 .953 .881 4 7 11 71 71 VAL .466 .464 .465 4 3 7 72 72 LYS .543 1.746 1.351 4 5 9 73 73 ASP .559 1.297 .999 4 4 8 74 74 ASN .468 .678 .583 4 4 8 75 75 ASN .496 .752 .637 4 4 8 76 76 LEU .516 .893 .729 4 4 8 77 77 GLU .680 1.362 1.112 4 5 9 78 78 ASP .919 1.901 1.493 4 4 8 79 79 GLY 1.037 .000 1.037 4 0 4 80 80 LYS .887 1.090 1.005 4 5 9 81 81 TYR .925 1.518 1.349 4 8 12 82 82 LEU .714 1.855 1.405 4 4 8 83 83 GLN .710 .706 .708 4 5 9 84 84 PHE .816 1.044 .967 4 7 11 85 85 ILE .843 .842 .842 4 4 8 86 86 TYR .829 1.711 1.477 4 8 12 87 87 ASP 1.194 2.641 2.050 4 4 8 88 88 ARG 1.792 2.175 2.044 4 7 11 89 89 ASP 1.064 1.823 1.493 4 4 8 90 90 ARG 1.259 3.280 2.725 4 7 11 91 91 THR .964 1.179 1.061 4 3 7 92 92 PHE .728 1.016 .922 4 7 11 93 93 TYR .928 1.300 1.189 4 8 12 94 94 VAL .906 1.125 1.006 4 3 7 95 95 ILE .912 1.012 .963 4 4 8 96 96 ILE 1.391 1.732 1.570 4 4 8 97 97 TYR 1.214 3.259 2.752 4 8 12 98 98 GLY 2.747 .000 2.747 4 0 4 99 99 HIS 1.667 4.391 3.561 4 6 10 100 100 ASN 1.328 4.657 3.425 4 4 8 101 101 MET 2.479 5.115 4.020 4 4 8 102 102 CYS 2.630 2.690 2.654 3 2 5 ENDMDL Model RMS deviations: 1.6359 2.3237 2.0226 407 440 847 MODEL 17 1 1 MET 4.094 5.643 4.930 4 4 8 2 2 ALA 2.767 3.462 2.920 4 1 5 3 3 ASP 3.527 4.474 4.029 4 4 8 4 4 THR 3.221 4.505 3.824 4 3 7 5 5 GLY 1.304 .000 1.304 4 0 4 6 6 GLU .680 1.239 1.029 4 5 9 7 7 VAL .582 1.048 .815 4 3 7 8 8 GLN .558 1.563 1.223 4 5 9 9 9 PHE .398 1.478 1.203 4 7 11 10 10 MET .607 2.056 1.516 4 4 8 11 11 LYS .415 1.192 .931 4 5 9 12 12 PRO .507 1.110 .822 4 3 7 13 13 PHE .433 1.711 1.390 4 7 11 14 14 ILE .285 .610 .476 4 4 8 15 15 SER .392 .609 .475 4 2 6 16 16 GLU .382 1.201 .930 4 5 9 17 17 LYS .367 .840 .672 4 5 9 18 18 SER .392 1.268 .799 4 2 6 19 19 SER .469 .960 .674 4 2 6 20 20 LYS 1.106 2.179 1.784 4 5 9 21 21 SER .246 .735 .469 4 2 6 22 22 LEU .453 .508 .481 4 4 8 23 23 GLU .538 3.228 2.433 4 5 9 24 24 ILE .301 .594 .471 4 4 8 25 25 PRO .366 .536 .447 4 3 7 26 26 LEU .635 1.361 1.062 4 4 8 27 27 GLY .369 .000 .369 4 0 4 28 28 PHE .409 1.107 .917 4 7 11 29 29 ASN .589 .995 .818 4 4 8 30 30 GLU .773 1.339 1.123 4 5 9 31 31 TYR .603 1.191 1.033 4 8 12 32 32 PHE .633 1.541 1.287 4 7 11 33 33 PRO .637 .630 .634 4 3 7 34 34 ALA .621 .627 .622 4 1 5 35 35 PRO .633 .724 .674 4 3 7 36 36 PHE .607 .931 .828 4 7 11 37 37 PRO .561 .488 .531 4 3 7 38 38 ILE .631 .727 .681 4 4 8 39 39 THR .611 .638 .623 4 3 7 40 40 VAL .356 1.161 .806 4 3 7 41 41 ASP .429 1.987 1.437 4 4 8 42 42 LEU .511 .415 .466 4 4 8 43 43 LEU .573 .643 .609 4 4 8 44 44 ASP .812 1.372 1.128 4 4 8 45 45 TYR 1.591 2.248 2.053 4 8 12 46 46 SER .950 2.323 1.549 4 2 6 47 47 GLY .625 .000 .625 4 0 4 48 48 ARG .184 2.503 2.000 4 7 11 49 49 SER .100 .262 .172 4 2 6 50 50 TRP .255 .332 .312 4 10 14 51 51 THR .490 .638 .558 4 3 7 52 52 VAL .554 .952 .751 4 3 7 53 53 ARG .574 1.391 1.163 4 7 11 54 54 MET .499 .712 .615 4 4 8 55 55 LYS .383 1.418 1.087 4 5 9 56 56 LYS .440 1.882 1.433 4 5 9 57 57 ARG .758 2.246 1.849 4 7 11 58 58 GLY .913 .000 .913 4 0 4 59 59 GLU .664 1.534 1.226 4 5 9 60 60 LYS .379 1.144 .889 4 5 9 61 61 VAL .425 1.418 .983 4 3 7 62 62 PHE .482 1.130 .947 4 7 11 63 63 LEU .622 .584 .603 4 4 8 64 64 THR .538 .631 .580 4 3 7 65 65 VAL .721 1.602 1.182 4 3 7 66 66 GLY .670 .000 .670 4 0 4 67 67 TRP .539 .479 .497 4 10 14 68 68 GLU .499 1.283 1.013 4 5 9 69 69 ASN .527 .586 .557 4 4 8 70 70 PHE .678 1.928 1.591 4 7 11 71 71 VAL .638 .657 .646 4 3 7 72 72 LYS .551 2.547 1.934 4 5 9 73 73 ASP .732 1.047 .903 4 4 8 74 74 ASN .756 1.624 1.267 4 4 8 75 75 ASN .634 .747 .693 4 4 8 76 76 LEU .873 .746 .812 4 4 8 77 77 GLU .702 1.984 1.551 4 5 9 78 78 ASP .676 1.455 1.134 4 4 8 79 79 GLY .603 .000 .603 4 0 4 80 80 LYS .490 .799 .679 4 5 9 81 81 TYR .532 1.299 1.104 4 8 12 82 82 LEU .343 1.251 .917 4 4 8 83 83 GLN .526 1.806 1.391 4 5 9 84 84 PHE .685 1.087 .961 4 7 11 85 85 ILE .912 1.124 1.024 4 4 8 86 86 TYR .929 2.572 2.167 4 8 12 87 87 ASP 1.742 1.642 1.693 4 4 8 88 88 ARG 1.251 2.472 2.111 4 7 11 89 89 ASP .918 1.409 1.189 4 4 8 90 90 ARG .666 1.650 1.376 4 7 11 91 91 THR .353 1.194 .826 4 3 7 92 92 PHE .385 .809 .686 4 7 11 93 93 TYR .579 1.183 1.022 4 8 12 94 94 VAL .934 1.402 1.158 4 3 7 95 95 ILE .947 2.432 1.846 4 4 8 96 96 ILE .790 1.721 1.339 4 4 8 97 97 TYR .479 1.309 1.104 4 8 12 98 98 GLY .873 .000 .873 4 0 4 99 99 HIS 1.371 2.658 2.234 4 6 10 100 100 ASN 3.271 4.180 3.753 4 4 8 101 101 MET 4.162 6.066 5.202 4 4 8 102 102 CYS 5.276 6.471 5.784 3 2 5 ENDMDL Model RMS deviations: 1.1708 1.8532 1.5629 407 440 847 MODEL 18 1 1 MET 8.474 11.672 10.199 4 4 8 2 2 ALA 6.037 7.526 6.363 4 1 5 3 3 ASP 3.663 3.694 3.678 4 4 8 4 4 THR 1.899 4.186 3.094 4 3 7 5 5 GLY 1.321 .000 1.321 4 0 4 6 6 GLU .705 1.354 1.113 4 5 9 7 7 VAL .437 .720 .576 4 3 7 8 8 GLN .520 2.808 2.122 4 5 9 9 9 PHE .357 1.661 1.342 4 7 11 10 10 MET .568 2.154 1.575 4 4 8 11 11 LYS .617 2.206 1.695 4 5 9 12 12 PRO .742 .797 .766 4 3 7 13 13 PHE .753 1.972 1.637 4 7 11 14 14 ILE 1.099 1.077 1.088 4 4 8 15 15 SER 1.136 1.438 1.245 4 2 6 16 16 GLU 1.040 1.679 1.431 4 5 9 17 17 LYS .989 .802 .890 4 5 9 18 18 SER 1.126 1.008 1.088 4 2 6 19 19 SER 1.187 1.516 1.306 4 2 6 20 20 LYS .861 3.231 2.476 4 5 9 21 21 SER .630 .449 .576 4 2 6 22 22 LEU .609 .617 .613 4 4 8 23 23 GLU .310 1.775 1.339 4 5 9 24 24 ILE .570 .906 .757 4 4 8 25 25 PRO .676 .442 .587 4 3 7 26 26 LEU 1.067 1.976 1.588 4 4 8 27 27 GLY 1.188 .000 1.188 4 0 4 28 28 PHE 1.093 1.182 1.151 4 7 11 29 29 ASN 1.281 1.476 1.382 4 4 8 30 30 GLU 1.412 2.285 1.946 4 5 9 31 31 TYR 1.522 1.972 1.835 4 8 12 32 32 PHE 1.423 1.668 1.583 4 7 11 33 33 PRO 1.311 1.404 1.351 4 3 7 34 34 ALA 1.041 1.161 1.066 4 1 5 35 35 PRO .896 1.039 .960 4 3 7 36 36 PHE .712 .766 .747 4 7 11 37 37 PRO .835 .897 .862 4 3 7 38 38 ILE 1.011 1.056 1.034 4 4 8 39 39 THR .887 .824 .860 4 3 7 40 40 VAL .970 1.388 1.168 4 3 7 41 41 ASP .951 1.269 1.121 4 4 8 42 42 LEU .847 .787 .817 4 4 8 43 43 LEU .794 2.278 1.706 4 4 8 44 44 ASP .563 1.351 1.035 4 4 8 45 45 TYR 1.781 3.375 2.941 4 8 12 46 46 SER 2.359 5.467 3.698 4 2 6 47 47 GLY 1.258 .000 1.258 4 0 4 48 48 ARG 1.109 2.398 2.026 4 7 11 49 49 SER .757 .703 .740 4 2 6 50 50 TRP .772 .523 .605 4 10 14 51 51 THR .839 1.040 .931 4 3 7 52 52 VAL .783 1.534 1.166 4 3 7 53 53 ARG .649 1.063 .934 4 7 11 54 54 MET .741 1.019 .891 4 4 8 55 55 LYS .742 1.179 1.008 4 5 9 56 56 LYS .873 1.242 1.094 4 5 9 57 57 ARG .622 1.057 .923 4 7 11 58 58 GLY .787 .000 .787 4 0 4 59 59 GLU 1.137 1.810 1.547 4 5 9 60 60 LYS 1.010 1.779 1.488 4 5 9 61 61 VAL .798 .972 .877 4 3 7 62 62 PHE .653 1.949 1.603 4 7 11 63 63 LEU .704 1.080 .912 4 4 8 64 64 THR .648 1.023 .829 4 3 7 65 65 VAL .804 1.123 .954 4 3 7 66 66 GLY .991 .000 .991 4 0 4 67 67 TRP .833 .735 .764 4 10 14 68 68 GLU .914 1.963 1.585 4 5 9 69 69 ASN .811 1.104 .969 4 4 8 70 70 PHE .501 .488 .492 4 7 11 71 71 VAL .844 .977 .903 4 3 7 72 72 LYS 1.089 4.028 3.089 4 5 9 73 73 ASP .805 1.252 1.052 4 4 8 74 74 ASN 1.203 1.382 1.295 4 4 8 75 75 ASN 1.880 2.410 2.162 4 4 8 76 76 LEU 1.595 1.530 1.563 4 4 8 77 77 GLU 1.555 1.306 1.422 4 5 9 78 78 ASP 1.360 2.192 1.824 4 4 8 79 79 GLY 1.512 .000 1.512 4 0 4 80 80 LYS 1.326 1.705 1.548 4 5 9 81 81 TYR 1.096 1.470 1.357 4 8 12 82 82 LEU .876 1.477 1.214 4 4 8 83 83 GLN .320 1.810 1.366 4 5 9 84 84 PHE .340 1.246 1.015 4 7 11 85 85 ILE .416 .753 .608 4 4 8 86 86 TYR .944 3.712 3.080 4 8 12 87 87 ASP 2.584 2.420 2.503 4 4 8 88 88 ARG 1.917 3.080 2.715 4 7 11 89 89 ASP 1.471 2.148 1.841 4 4 8 90 90 ARG .846 3.165 2.576 4 7 11 91 91 THR .992 1.338 1.153 4 3 7 92 92 PHE 1.137 1.269 1.223 4 7 11 93 93 TYR .809 1.770 1.518 4 8 12 94 94 VAL .904 2.485 1.764 4 3 7 95 95 ILE .710 .897 .809 4 4 8 96 96 ILE .634 .767 .704 4 4 8 97 97 TYR .740 2.354 1.969 4 8 12 98 98 GLY 1.049 .000 1.049 4 0 4 99 99 HIS 3.251 6.286 5.285 4 6 10 100 100 ASN 4.054 2.379 3.324 4 4 8 101 101 MET 5.423 9.010 7.436 4 4 8 102 102 CYS 6.889 8.673 7.652 3 2 5 ENDMDL Model RMS deviations: 1.7741 2.5405 2.2057 407 440 847 MODEL 19 1 1 MET 7.697 6.065 6.929 4 4 8 2 2 ALA 5.850 7.619 6.244 4 1 5 3 3 ASP 3.594 2.827 3.233 4 4 8 4 4 THR 2.524 4.729 3.637 4 3 7 5 5 GLY 1.467 .000 1.467 4 0 4 6 6 GLU 1.488 2.391 2.040 4 5 9 7 7 VAL .916 .628 .805 4 3 7 8 8 GLN 1.172 1.486 1.355 4 5 9 9 9 PHE .879 1.690 1.449 4 7 11 10 10 MET .988 2.388 1.827 4 4 8 11 11 LYS .836 1.626 1.334 4 5 9 12 12 PRO 1.198 1.849 1.512 4 3 7 13 13 PHE .695 1.850 1.534 4 7 11 14 14 ILE .816 .875 .846 4 4 8 15 15 SER .863 1.172 .977 4 2 6 16 16 GLU .794 1.477 1.221 4 5 9 17 17 LYS .615 .886 .777 4 5 9 18 18 SER .668 .792 .711 4 2 6 19 19 SER .557 .809 .652 4 2 6 20 20 LYS .563 2.939 2.223 4 5 9 21 21 SER .737 1.031 .847 4 2 6 22 22 LEU .418 .506 .464 4 4 8 23 23 GLU .446 2.239 1.695 4 5 9 24 24 ILE .475 .500 .488 4 4 8 25 25 PRO .795 .983 .881 4 3 7 26 26 LEU .755 .588 .677 4 4 8 27 27 GLY .988 .000 .988 4 0 4 28 28 PHE .937 1.019 .990 4 7 11 29 29 ASN .799 .991 .900 4 4 8 30 30 GLU .893 1.605 1.336 4 5 9 31 31 TYR 1.175 1.907 1.698 4 8 12 32 32 PHE 1.062 1.383 1.276 4 7 11 33 33 PRO 1.070 1.154 1.107 4 3 7 34 34 ALA .953 .944 .951 4 1 5 35 35 PRO .945 1.127 1.027 4 3 7 36 36 PHE .869 .996 .952 4 7 11 37 37 PRO .740 .585 .678 4 3 7 38 38 ILE .874 1.227 1.065 4 4 8 39 39 THR .853 1.845 1.370 4 3 7 40 40 VAL .541 1.075 .814 4 3 7 41 41 ASP .592 1.105 .887 4 4 8 42 42 LEU .689 .603 .647 4 4 8 43 43 LEU 1.010 .893 .953 4 4 8 44 44 ASP 1.289 1.240 1.265 4 4 8 45 45 TYR 1.632 4.161 3.526 4 8 12 46 46 SER 2.638 .661 2.188 4 2 6 47 47 GLY 1.429 .000 1.429 4 0 4 48 48 ARG 1.259 1.418 1.362 4 7 11 49 49 SER .941 1.239 1.050 4 2 6 50 50 TRP .537 .498 .509 4 10 14 51 51 THR .594 .648 .617 4 3 7 52 52 VAL .474 1.600 1.107 4 3 7 53 53 ARG .566 1.456 1.210 4 7 11 54 54 MET .336 .373 .355 4 4 8 55 55 LYS .097 3.469 2.586 4 5 9 56 56 LYS .109 1.432 1.070 4 5 9 57 57 ARG .325 3.313 2.650 4 7 11 58 58 GLY .659 .000 .659 4 0 4 59 59 GLU .683 1.397 1.137 4 5 9 60 60 LYS .392 2.434 1.833 4 5 9 61 61 VAL .422 .669 .542 4 3 7 62 62 PHE .396 1.468 1.195 4 7 11 63 63 LEU .438 .861 .683 4 4 8 64 64 THR .540 .719 .623 4 3 7 65 65 VAL .667 1.504 1.106 4 3 7 66 66 GLY .642 .000 .642 4 0 4 67 67 TRP .635 .747 .717 4 10 14 68 68 GLU .730 1.101 .955 4 5 9 69 69 ASN .691 1.400 1.104 4 4 8 70 70 PHE .614 1.636 1.357 4 7 11 71 71 VAL .742 .922 .824 4 3 7 72 72 LYS .741 3.527 2.675 4 5 9 73 73 ASP .492 .666 .585 4 4 8 74 74 ASN .548 1.082 .858 4 4 8 75 75 ASN .780 1.357 1.107 4 4 8 76 76 LEU 1.095 1.068 1.082 4 4 8 77 77 GLU .981 1.546 1.325 4 5 9 78 78 ASP .961 .851 .908 4 4 8 79 79 GLY .891 .000 .891 4 0 4 80 80 LYS .712 .630 .668 4 5 9 81 81 TYR .611 1.401 1.197 4 8 12 82 82 LEU .467 1.037 .804 4 4 8 83 83 GLN .446 .996 .800 4 5 9 84 84 PHE .854 1.538 1.330 4 7 11 85 85 ILE .843 .816 .830 4 4 8 86 86 TYR .974 1.563 1.395 4 8 12 87 87 ASP .945 1.981 1.552 4 4 8 88 88 ARG 1.420 3.536 2.948 4 7 11 89 89 ASP 1.330 1.407 1.369 4 4 8 90 90 ARG 1.224 3.095 2.577 4 7 11 91 91 THR 1.029 1.676 1.345 4 3 7 92 92 PHE .985 1.240 1.154 4 7 11 93 93 TYR .705 .982 .899 4 8 12 94 94 VAL .494 1.645 1.140 4 3 7 95 95 ILE .499 1.924 1.406 4 4 8 96 96 ILE .455 1.751 1.279 4 4 8 97 97 TYR .797 1.362 1.203 4 8 12 98 98 GLY 1.394 .000 1.394 4 0 4 99 99 HIS 2.990 4.982 4.297 4 6 10 100 100 ASN 4.079 6.115 5.198 4 4 8 101 101 MET 2.581 4.203 3.488 4 4 8 102 102 CYS 1.399 4.779 3.211 3 2 5 ENDMDL Model RMS deviations: 1.4720 2.0908 1.8199 407 440 847 MODEL 20 1 1 MET 13.202 12.037 12.633 4 4 8 2 2 ALA 9.997 11.972 10.422 4 1 5 3 3 ASP 6.091 5.371 5.742 4 4 8 4 4 THR 4.977 7.739 6.310 4 3 7 5 5 GLY 2.222 .000 2.222 4 0 4 6 6 GLU 1.089 1.378 1.258 4 5 9 7 7 VAL 1.182 2.101 1.640 4 3 7 8 8 GLN 1.309 1.626 1.493 4 5 9 9 9 PHE .667 1.675 1.395 4 7 11 10 10 MET .789 1.229 1.033 4 4 8 11 11 LYS .720 2.591 1.990 4 5 9 12 12 PRO .680 .852 .758 4 3 7 13 13 PHE .689 3.615 2.913 4 7 11 14 14 ILE .869 1.139 1.013 4 4 8 15 15 SER .792 .839 .808 4 2 6 16 16 GLU .850 2.004 1.597 4 5 9 17 17 LYS .822 2.038 1.615 4 5 9 18 18 SER .506 1.516 .968 4 2 6 19 19 SER .553 .795 .644 4 2 6 20 20 LYS .756 1.660 1.336 4 5 9 21 21 SER .702 .720 .708 4 2 6 22 22 LEU .812 1.085 .958 4 4 8 23 23 GLU .726 .941 .852 4 5 9 24 24 ILE .801 .980 .895 4 4 8 25 25 PRO .875 .864 .871 4 3 7 26 26 LEU .985 .839 .915 4 4 8 27 27 GLY 1.104 .000 1.104 4 0 4 28 28 PHE .990 1.622 1.425 4 7 11 29 29 ASN 1.221 1.867 1.577 4 4 8 30 30 GLU 1.391 1.467 1.433 4 5 9 31 31 TYR 1.315 1.509 1.447 4 8 12 32 32 PHE 1.308 1.640 1.528 4 7 11 33 33 PRO 1.444 1.528 1.480 4 3 7 34 34 ALA 1.415 1.354 1.403 4 1 5 35 35 PRO 1.403 1.516 1.452 4 3 7 36 36 PHE 1.308 1.692 1.563 4 7 11 37 37 PRO 1.123 1.095 1.111 4 3 7 38 38 ILE .981 1.109 1.047 4 4 8 39 39 THR .753 .843 .793 4 3 7 40 40 VAL .631 1.462 1.070 4 3 7 41 41 ASP .650 1.795 1.350 4 4 8 42 42 LEU .685 .670 .677 4 4 8 43 43 LEU 1.046 1.425 1.250 4 4 8 44 44 ASP 1.047 2.542 1.944 4 4 8 45 45 TYR 1.213 2.105 1.856 4 8 12 46 46 SER 1.103 3.797 2.370 4 2 6 47 47 GLY 1.788 .000 1.788 4 0 4 48 48 ARG 1.582 2.595 2.279 4 7 11 49 49 SER 1.573 1.921 1.697 4 2 6 50 50 TRP .982 1.171 1.120 4 10 14 51 51 THR .820 .658 .755 4 3 7 52 52 VAL .836 1.491 1.163 4 3 7 53 53 ARG .924 1.386 1.239 4 7 11 54 54 MET .982 1.082 1.033 4 4 8 55 55 LYS .755 2.635 2.027 4 5 9 56 56 LYS 1.260 1.326 1.297 4 5 9 57 57 ARG 1.688 2.488 2.230 4 7 11 58 58 GLY 1.967 .000 1.967 4 0 4 59 59 GLU 1.426 2.350 1.993 4 5 9 60 60 LYS 1.165 1.559 1.398 4 5 9 61 61 VAL .986 1.454 1.209 4 3 7 62 62 PHE .904 1.969 1.662 4 7 11 63 63 LEU .810 .758 .785 4 4 8 64 64 THR .485 .680 .577 4 3 7 65 65 VAL .509 1.147 .844 4 3 7 66 66 GLY .390 .000 .390 4 0 4 67 67 TRP .327 .272 .289 4 10 14 68 68 GLU .318 1.051 .811 4 5 9 69 69 ASN .143 .567 .414 4 4 8 70 70 PHE .201 .636 .522 4 7 11 71 71 VAL .517 .621 .564 4 3 7 72 72 LYS .587 2.500 1.904 4 5 9 73 73 ASP .571 1.595 1.198 4 4 8 74 74 ASN .807 1.407 1.147 4 4 8 75 75 ASN 1.054 1.675 1.399 4 4 8 76 76 LEU .852 1.606 1.286 4 4 8 77 77 GLU 1.006 1.193 1.114 4 5 9 78 78 ASP 1.130 1.535 1.348 4 4 8 79 79 GLY 1.036 .000 1.036 4 0 4 80 80 LYS .764 1.276 1.078 4 5 9 81 81 TYR .585 1.642 1.383 4 8 12 82 82 LEU .274 1.278 .924 4 4 8 83 83 GLN .567 1.144 .932 4 5 9 84 84 PHE .619 1.061 .925 4 7 11 85 85 ILE .733 .764 .748 4 4 8 86 86 TYR .937 3.747 3.107 4 8 12 87 87 ASP 1.446 2.032 1.764 4 4 8 88 88 ARG 1.001 2.831 2.338 4 7 11 89 89 ASP .890 1.267 1.095 4 4 8 90 90 ARG .750 1.540 1.309 4 7 11 91 91 THR .628 1.292 .970 4 3 7 92 92 PHE .530 .997 .857 4 7 11 93 93 TYR .455 1.095 .932 4 8 12 94 94 VAL .401 .614 .504 4 3 7 95 95 ILE .382 .883 .680 4 4 8 96 96 ILE .420 1.841 1.335 4 4 8 97 97 TYR .641 1.211 1.056 4 8 12 98 98 GLY 1.834 .000 1.834 4 0 4 99 99 HIS 1.844 5.929 4.738 4 6 10 100 100 ASN 2.879 2.719 2.800 4 4 8 101 101 MET 3.536 4.803 4.218 4 4 8 102 102 CYS 4.158 3.963 4.081 3 2 5 ENDMDL Model RMS deviations: 2.1406 2.4197 2.2898 407 440 847 ALL MODELS 1 1 MET 6.350 7.350 6.868 80 80 160 2 2 ALA 5.177 6.383 5.440 80 20 100 3 3 ASP 3.600 4.647 4.157 80 80 160 4 4 THR 2.819 4.615 3.697 80 60 140 5 5 GLY 1.561 .000 1.561 80 0 80 6 6 GLU 1.009 1.852 1.535 80 100 180 7 7 VAL .803 1.149 .966 80 60 140 8 8 GLN .797 1.689 1.366 80 100 180 9 9 PHE .672 2.045 1.681 80 140 220 10 10 MET .832 1.972 1.514 80 80 160 11 11 LYS .710 1.707 1.358 80 100 180 12 12 PRO .785 1.183 .976 80 60 140 13 13 PHE .628 2.310 1.881 80 140 220 14 14 ILE .635 1.124 .913 80 80 160 15 15 SER .645 1.011 .786 80 40 120 16 16 GLU .692 1.544 1.240 80 100 180 17 17 LYS .665 1.506 1.207 80 100 180 18 18 SER .657 1.165 .860 80 40 120 19 19 SER .629 1.229 .876 80 40 120 20 20 LYS .772 2.694 2.073 80 100 180 21 21 SER .676 .858 .742 80 40 120 22 22 LEU .529 .952 .770 80 80 160 23 23 GLU .634 1.974 1.531 80 100 180 24 24 ILE .607 .776 .696 80 80 160 25 25 PRO .740 .797 .765 80 60 140 26 26 LEU .811 1.154 .997 80 80 160 27 27 GLY .865 .000 .865 80 0 80 28 28 PHE .763 1.494 1.278 80 140 220 29 29 ASN .804 1.711 1.337 80 80 160 30 30 GLU .936 1.578 1.331 80 100 180 31 31 TYR .961 1.468 1.321 80 160 240 32 32 PHE .906 1.258 1.142 80 140 220 33 33 PRO .943 1.030 .981 80 60 140 34 34 ALA .852 .842 .850 80 20 100 35 35 PRO .823 .948 .879 80 60 140 36 36 PHE .737 1.654 1.392 80 140 220 37 37 PRO .663 .639 .653 80 60 140 38 38 ILE .730 .891 .814 80 80 160 39 39 THR .643 1.002 .816 80 60 140 40 40 VAL .587 1.208 .907 80 60 140 41 41 ASP .590 1.480 1.126 80 80 160 42 42 LEU .613 .683 .649 80 80 160 43 43 LEU .735 1.068 .917 80 80 160 44 44 ASP .913 1.657 1.338 80 80 160 45 45 TYR 1.503 3.248 2.790 80 160 240 46 46 SER 1.555 3.318 2.298 80 40 120 47 47 GLY 1.133 .000 1.133 80 0 80 48 48 ARG .939 2.344 1.954 80 140 220 49 49 SER .839 .925 .869 80 40 120 50 50 TRP .629 .916 .844 80 200 280 51 51 THR .628 .696 .658 80 60 140 52 52 VAL .538 1.207 .888 80 60 140 53 53 ARG .528 1.490 1.230 80 140 220 54 54 MET .489 .794 .660 80 80 160 55 55 LYS .484 1.820 1.395 80 100 180 56 56 LYS .712 1.459 1.186 80 100 180 57 57 ARG .863 2.190 1.823 80 140 220 58 58 GLY 1.093 .000 1.093 80 0 80 59 59 GLU 1.039 2.186 1.771 80 100 180 60 60 LYS .912 2.263 1.793 80 100 180 61 61 VAL .664 1.136 .897 80 60 140 62 62 PHE .565 1.924 1.572 80 140 220 63 63 LEU .543 .874 .728 80 80 160 64 64 THR .545 1.016 .782 80 60 140 65 65 VAL .584 1.342 .983 80 60 140 66 66 GLY .595 .000 .595 80 0 80 67 67 TRP .551 .657 .629 80 200 280 68 68 GLU .581 1.499 1.183 80 100 180 69 69 ASN .618 .924 .786 80 80 160 70 70 PHE .612 1.179 1.010 80 140 220 71 71 VAL .608 .648 .626 80 60 140 72 72 LYS .656 2.217 1.709 80 100 180 73 73 ASP .670 1.426 1.114 80 80 160 74 74 ASN .792 1.291 1.071 80 80 160 75 75 ASN .911 1.448 1.209 80 80 160 76 76 LEU .975 1.498 1.264 80 80 160 77 77 GLU .847 1.657 1.358 80 100 180 78 78 ASP .817 1.467 1.187 80 80 160 79 79 GLY .823 .000 .823 80 0 80 80 80 LYS .708 1.276 1.062 80 100 180 81 81 TYR .686 1.499 1.286 80 160 240 82 82 LEU .673 1.362 1.074 80 80 160 83 83 GLN .684 1.619 1.290 80 100 180 84 84 PHE .698 1.329 1.141 80 140 220 85 85 ILE .707 .906 .813 80 80 160 86 86 TYR .796 2.687 2.242 80 160 240 87 87 ASP 1.388 1.917 1.673 80 80 160 88 88 ARG 1.144 2.304 1.963 80 140 220 89 89 ASP .951 1.641 1.341 80 80 160 90 90 ARG .891 2.603 2.145 80 140 220 91 91 THR .706 1.336 1.025 80 60 140 92 92 PHE .665 1.177 1.021 80 140 220 93 93 TYR .614 1.542 1.308 80 160 240 94 94 VAL .683 1.310 1.001 80 60 140 95 95 ILE .662 1.213 .977 80 80 160 96 96 ILE .704 1.399 1.107 80 80 160 97 97 TYR .854 1.519 1.334 80 160 240 98 98 GLY 1.580 .000 1.580 80 0 80 99 99 HIS 2.572 5.195 4.340 80 120 200 100 100 ASN 3.209 4.560 3.943 80 80 160 101 101 MET 4.125 5.887 5.083 80 80 160 102 102 CYS 5.312 6.115 5.647 60 40 100 ENDMDL Overall RMS deviation: 1.4192 2.1220 1.8185 8140 8800 16940