MODEL 1 1 1 GLY 4.265 .000 4.265 4 0 4 2 2 SER 2.817 2.239 2.639 4 2 6 3 3 ASP 2.300 3.584 3.011 4 4 8 4 4 PRO 1.309 1.612 1.447 4 3 7 5 5 GLY 1.126 .000 1.126 4 0 4 6 6 PRO 1.034 1.090 1.058 4 3 7 7 7 GLU 1.303 2.007 1.730 4 5 9 8 8 ALA 1.003 .887 .981 4 1 5 9 9 ALA .802 .726 .787 4 1 5 10 10 ARG .756 .624 .675 4 7 11 11 11 LEU .827 2.993 2.196 4 4 8 12 12 ARG .814 .915 .880 4 7 11 13 13 PHE .776 1.096 .991 4 7 11 14 14 ARG .787 .704 .735 4 7 11 15 15 CYS .961 .928 .950 4 2 6 16 16 PHE .966 1.356 1.229 4 7 11 17 17 HIS .961 1.365 1.220 4 6 10 18 18 TYR .920 1.040 1.002 4 8 12 19 19 GLU 1.065 1.414 1.271 4 5 9 20 20 GLU 1.119 2.049 1.700 4 5 9 21 21 ALA 1.350 1.229 1.327 4 1 5 22 22 THR 1.357 1.374 1.364 4 3 7 23 23 GLY 1.174 .000 1.174 4 0 4 24 24 PRO .983 .937 .964 4 3 7 25 25 GLN .946 1.078 1.022 4 5 9 26 26 GLU .917 1.196 1.081 4 5 9 27 27 ALA .873 1.001 .900 4 1 5 28 28 LEU .628 .545 .588 4 4 8 29 29 ALA .622 .643 .626 4 1 5 30 30 GLN .800 1.507 1.244 4 5 9 31 31 LEU .698 .695 .697 4 4 8 32 32 ARG .459 .896 .767 4 7 11 33 33 GLU .555 .725 .655 4 5 9 34 34 LEU .660 .803 .735 4 4 8 35 35 CYS .639 .833 .710 4 2 6 36 36 ARG .571 1.000 .869 4 7 11 37 37 GLN .642 .723 .688 4 5 9 38 38 TRP .691 .595 .624 4 10 14 39 39 LEU .605 .380 .506 4 4 8 40 40 ARG .540 1.404 1.166 4 7 11 41 41 PRO .689 .726 .705 4 3 7 42 42 GLU .475 2.612 1.973 4 5 9 43 43 VAL .437 .532 .480 4 3 7 44 44 ARG .550 1.073 .918 4 7 11 45 45 SER .426 1.067 .707 4 2 6 46 46 LYS .472 .793 .669 4 5 9 47 47 GLU .474 1.325 1.037 4 5 9 48 48 GLN .555 .956 .803 4 5 9 49 49 MET .509 .496 .502 4 4 8 50 50 LEU .506 1.423 1.068 4 4 8 51 51 GLU .502 2.123 1.618 4 5 9 52 52 LEU .518 .628 .576 4 4 8 53 53 LEU .480 .476 .478 4 4 8 54 54 VAL .428 .441 .434 4 3 7 55 55 LEU .449 1.031 .795 4 4 8 56 56 GLU .529 .818 .704 4 5 9 57 57 GLN .550 .943 .793 4 5 9 58 58 PHE .479 1.129 .945 4 7 11 59 59 LEU .627 1.170 .939 4 4 8 60 60 GLY .862 .000 .862 4 0 4 61 61 ALA .834 .730 .814 4 1 5 62 62 LEU .889 .711 .805 4 4 8 63 63 PRO 1.071 .916 1.008 4 3 7 64 64 PRO 1.373 1.317 1.349 4 3 7 65 65 GLU 1.355 1.647 1.524 4 5 9 66 66 ILE 1.003 .886 .946 4 4 8 67 67 GLN .902 1.017 .967 4 5 9 68 68 ALA .970 .967 .969 4 1 5 69 69 ARG .936 1.487 1.313 4 7 11 70 70 VAL .843 .726 .795 4 3 7 71 71 GLN .953 1.579 1.337 4 5 9 72 72 GLY .915 .000 .915 4 0 4 73 73 GLN .553 1.091 .893 4 5 9 74 74 ARG .259 1.529 1.230 4 7 11 75 75 PRO .387 .160 .310 4 3 7 76 76 GLY .584 .000 .584 4 0 4 77 77 SER .294 .577 .411 4 2 6 78 78 PRO .228 .250 .238 4 3 7 79 79 GLU .448 1.353 1.052 4 5 9 80 80 GLU .492 1.067 .860 4 5 9 81 81 ALA .462 .286 .433 4 1 5 82 82 ALA .558 .471 .542 4 1 5 83 83 ALA .782 .727 .771 4 1 5 84 84 LEU .862 1.106 .992 4 4 8 85 85 VAL .855 .676 .783 4 3 7 86 86 ASP .852 1.394 1.155 4 4 8 87 87 GLY .914 .000 .914 4 0 4 88 88 LEU .872 .914 .893 4 4 8 89 89 ARG .870 1.039 .981 4 7 11 90 90 ARG 1.162 6.078 4.899 4 7 11 91 91 GLU 3.508 4.748 4.242 4 5 9 92 92 PRO 6.880 6.315 6.644 4 3 7 93 93 GLY 8.824 .000 8.824 4 0 4 94 94 GLY 7.909 .000 7.909 4 0 4 95 301 GLY 2.315 .000 2.315 4 0 4 96 302 SER 1.979 3.384 2.536 4 2 6 97 303 ASP 1.349 2.134 1.785 4 4 8 98 304 PRO 1.089 1.071 1.081 4 3 7 99 305 GLY .852 .000 .852 4 0 4 100 306 PRO .705 1.086 .889 4 3 7 101 307 GLU .668 1.352 1.102 4 5 9 102 308 ALA .758 1.001 .812 4 1 5 103 309 ALA .595 .545 .585 4 1 5 104 310 ARG .443 .896 .763 4 7 11 105 311 LEU .457 2.825 2.023 4 4 8 106 312 ARG .685 1.176 1.025 4 7 11 107 313 PHE .629 1.111 .964 4 7 11 108 314 ARG .780 .968 .904 4 7 11 109 315 CYS 1.058 1.700 1.307 4 2 6 110 316 PHE .910 .955 .939 4 7 11 111 317 HIS .790 1.065 .965 4 6 10 112 318 TYR .765 .934 .881 4 8 12 113 319 GLU .749 1.001 .898 4 5 9 114 320 GLU .921 1.112 1.032 4 5 9 115 321 ALA 1.006 1.215 1.051 4 1 5 116 322 THR .800 .865 .829 4 3 7 117 323 GLY .569 .000 .569 4 0 4 118 324 PRO .354 .525 .435 4 3 7 119 325 GLN .250 .944 .723 4 5 9 120 326 GLU .349 .988 .772 4 5 9 121 327 ALA .327 .390 .340 4 1 5 122 328 LEU .264 .273 .269 4 4 8 123 329 ALA .335 .357 .340 4 1 5 124 330 GLN .316 1.157 .888 4 5 9 125 331 LEU .276 .279 .278 4 4 8 126 332 ARG .199 1.691 1.354 4 7 11 127 333 GLU .212 .972 .738 4 5 9 128 334 LEU .318 .371 .346 4 4 8 129 335 CYS .343 .995 .639 4 2 6 130 336 ARG .363 1.818 1.467 4 7 11 131 337 GLN .434 .780 .650 4 5 9 132 338 TRP .450 .541 .517 4 10 14 133 339 LEU .450 .490 .471 4 4 8 134 340 ARG .492 1.532 1.258 4 7 11 135 341 PRO .637 .724 .676 4 3 7 136 342 GLU .633 2.068 1.598 4 5 9 137 343 VAL .523 .601 .558 4 3 7 138 344 ARG .289 .549 .471 4 7 11 139 345 SER .339 .898 .588 4 2 6 140 346 LYS .421 1.321 1.024 4 5 9 141 347 GLU .554 1.427 1.126 4 5 9 142 348 GLN .533 1.343 1.062 4 5 9 143 349 MET .336 .324 .330 4 4 8 144 350 LEU .303 1.389 1.006 4 4 8 145 351 GLU .225 1.826 1.369 4 5 9 146 352 LEU .232 .219 .225 4 4 8 147 353 LEU .302 .318 .310 4 4 8 148 354 VAL .400 .416 .407 4 3 7 149 355 LEU .349 .819 .629 4 4 8 150 356 GLU .393 .889 .713 4 5 9 151 357 GLN .581 1.075 .890 4 5 9 152 358 PHE .640 1.322 1.123 4 7 11 153 359 LEU .697 1.302 1.044 4 4 8 154 360 GLY .846 .000 .846 4 0 4 155 361 ALA .840 .820 .836 4 1 5 156 362 LEU .830 .778 .804 4 4 8 157 363 PRO .854 .808 .835 4 3 7 158 364 PRO .833 .813 .825 4 3 7 159 365 GLU .834 .969 .911 4 5 9 160 366 ILE .820 .913 .868 4 4 8 161 367 GLN .653 .625 .638 4 5 9 162 368 ALA .553 .504 .543 4 1 5 163 369 ARG .726 .586 .640 4 7 11 164 370 VAL .639 .737 .683 4 3 7 165 371 GLN .550 .988 .823 4 5 9 166 372 GLY 1.184 .000 1.184 4 0 4 167 373 GLN .751 1.283 1.079 4 5 9 168 374 ARG .474 1.005 .851 4 7 11 169 375 PRO .428 .535 .477 4 3 7 170 376 GLY .414 .000 .414 4 0 4 171 377 SER .298 .798 .521 4 2 6 172 378 PRO .391 .238 .334 4 3 7 173 379 GLU .520 .919 .768 4 5 9 174 380 GLU .710 1.017 .894 4 5 9 175 381 ALA .793 .656 .768 4 1 5 176 382 ALA .805 .661 .779 4 1 5 177 383 ALA .831 .838 .832 4 1 5 178 384 LEU .947 1.008 .978 4 4 8 179 385 VAL .918 .928 .922 4 3 7 180 386 ASP .965 1.105 1.038 4 4 8 181 387 GLY 1.352 .000 1.352 4 0 4 182 388 LEU 1.486 1.403 1.445 4 4 8 183 389 ARG 1.693 1.570 1.616 4 7 11 184 390 ARG 1.292 6.298 5.084 4 7 11 185 391 GLU 2.770 3.630 3.275 4 5 9 186 392 PRO 6.411 6.994 6.667 4 3 7 187 393 GLY 7.569 .000 7.569 4 0 4 188 394 GLY 8.077 .000 8.077 3 0 3 ENDMDL Model RMS deviations: 1.6261 1.6556 1.6406 751 724 1475 MODEL 2 1 1 GLY 2.366 .000 2.366 4 0 4 2 2 SER 1.201 1.165 1.189 4 2 6 3 3 ASP 1.255 2.886 2.225 4 4 8 4 4 PRO .997 1.022 1.008 4 3 7 5 5 GLY .976 .000 .976 4 0 4 6 6 PRO .681 .670 .676 4 3 7 7 7 GLU .775 1.857 1.478 4 5 9 8 8 ALA .847 .951 .869 4 1 5 9 9 ALA .748 .787 .756 4 1 5 10 10 ARG .670 1.165 1.013 4 7 11 11 11 LEU .787 .734 .761 4 4 8 12 12 ARG .715 1.594 1.342 4 7 11 13 13 PHE .445 .939 .796 4 7 11 14 14 ARG 1.031 .944 .977 4 7 11 15 15 CYS 1.122 1.959 1.456 4 2 6 16 16 PHE .647 1.051 .925 4 7 11 17 17 HIS .341 .966 .779 4 6 10 18 18 TYR .307 1.065 .887 4 8 12 19 19 GLU .678 1.332 1.091 4 5 9 20 20 GLU .950 1.474 1.268 4 5 9 21 21 ALA .865 .935 .880 4 1 5 22 22 THR .704 .685 .696 4 3 7 23 23 GLY .544 .000 .544 4 0 4 24 24 PRO .538 .762 .644 4 3 7 25 25 GLN .626 1.741 1.363 4 5 9 26 26 GLU .605 1.083 .903 4 5 9 27 27 ALA .429 .428 .429 4 1 5 28 28 LEU .365 .461 .415 4 4 8 29 29 ALA .438 .539 .460 4 1 5 30 30 GLN .430 1.089 .861 4 5 9 31 31 LEU .322 .270 .297 4 4 8 32 32 ARG .341 1.803 1.453 4 7 11 33 33 GLU .554 1.341 1.066 4 5 9 34 34 LEU .431 .434 .433 4 4 8 35 35 CYS .340 .998 .639 4 2 6 36 36 ARG .581 .892 .793 4 7 11 37 37 GLN .734 1.044 .919 4 5 9 38 38 TRP .666 .522 .567 4 10 14 39 39 LEU .524 .605 .566 4 4 8 40 40 ARG .505 1.768 1.443 4 7 11 41 41 PRO .300 .226 .271 4 3 7 42 42 GLU .544 2.375 1.807 4 5 9 43 43 VAL .407 .504 .451 4 3 7 44 44 ARG .386 .576 .515 4 7 11 45 45 SER .327 .612 .443 4 2 6 46 46 LYS .324 .433 .389 4 5 9 47 47 GLU .351 1.712 1.297 4 5 9 48 48 GLN .313 .796 .629 4 5 9 49 49 MET .284 .174 .235 4 4 8 50 50 LEU .389 .575 .491 4 4 8 51 51 GLU .421 1.215 .948 4 5 9 52 52 LEU .336 .376 .356 4 4 8 53 53 LEU .235 .305 .272 4 4 8 54 54 VAL .165 .281 .222 4 3 7 55 55 LEU .179 1.055 .757 4 4 8 56 56 GLU .389 .974 .771 4 5 9 57 57 GLN .486 .810 .685 4 5 9 58 58 PHE .451 1.278 1.055 4 7 11 59 59 LEU .460 .846 .681 4 4 8 60 60 GLY .362 .000 .362 4 0 4 61 61 ALA .365 .318 .356 4 1 5 62 62 LEU .669 .727 .699 4 4 8 63 63 PRO .915 .933 .923 4 3 7 64 64 PRO 1.107 1.189 1.143 4 3 7 65 65 GLU 1.318 1.782 1.593 4 5 9 66 66 ILE 1.193 1.072 1.134 4 4 8 67 67 GLN 1.074 .813 .938 4 5 9 68 68 ALA 1.370 1.443 1.385 4 1 5 69 69 ARG 1.389 1.952 1.768 4 7 11 70 70 VAL 1.312 1.030 1.200 4 3 7 71 71 GLN 1.776 1.851 1.818 4 5 9 72 72 GLY 2.714 .000 2.714 4 0 4 73 73 GLN 2.639 2.867 2.768 4 5 9 74 74 ARG 2.902 4.621 4.080 4 7 11 75 75 PRO 2.010 1.237 1.722 4 3 7 76 76 GLY 1.669 .000 1.669 4 0 4 77 77 SER .661 .971 .778 4 2 6 78 78 PRO .368 .300 .341 4 3 7 79 79 GLU .532 1.089 .886 4 5 9 80 80 GLU .672 1.687 1.335 4 5 9 81 81 ALA .584 .531 .573 4 1 5 82 82 ALA .696 .569 .673 4 1 5 83 83 ALA .928 1.038 .951 4 1 5 84 84 LEU .997 1.223 1.116 4 4 8 85 85 VAL .815 .774 .798 4 3 7 86 86 ASP .886 1.086 .991 4 4 8 87 87 GLY 1.248 .000 1.248 4 0 4 88 88 LEU 1.342 1.253 1.299 4 4 8 89 89 ARG 1.474 1.054 1.224 4 7 11 90 90 ARG 3.974 8.099 6.891 4 7 11 91 91 GLU 4.815 7.180 6.241 4 5 9 92 92 PRO 7.049 6.899 6.985 4 3 7 93 93 GLY 8.168 .000 8.168 4 0 4 94 94 GLY 9.520 .000 9.520 4 0 4 95 301 GLY 3.223 .000 3.223 4 0 4 96 302 SER 1.715 1.483 1.641 4 2 6 97 303 ASP 1.533 2.528 2.091 4 4 8 98 304 PRO 1.492 1.766 1.615 4 3 7 99 305 GLY 1.359 .000 1.359 4 0 4 100 306 PRO 1.058 1.510 1.272 4 3 7 101 307 GLU 1.130 2.422 1.956 4 5 9 102 308 ALA 1.005 1.153 1.037 4 1 5 103 309 ALA .693 .653 .685 4 1 5 104 310 ARG .555 .693 .646 4 7 11 105 311 LEU .658 1.066 .885 4 4 8 106 312 ARG .487 .818 .716 4 7 11 107 313 PHE .254 1.000 .812 4 7 11 108 314 ARG .910 .828 .859 4 7 11 109 315 CYS .995 1.772 1.306 4 2 6 110 316 PHE .712 .766 .747 4 7 11 111 317 HIS .609 1.163 .980 4 6 10 112 318 TYR .489 1.195 1.015 4 8 12 113 319 GLU .356 .858 .682 4 5 9 114 320 GLU .731 1.148 .985 4 5 9 115 321 ALA .614 .335 .569 4 1 5 116 322 THR .804 1.044 .915 4 3 7 117 323 GLY .770 .000 .770 4 0 4 118 324 PRO .602 .566 .587 4 3 7 119 325 GLN .602 1.112 .921 4 5 9 120 326 GLU .517 2.177 1.658 4 5 9 121 327 ALA .403 .373 .397 4 1 5 122 328 LEU .552 .750 .659 4 4 8 123 329 ALA .714 .797 .731 4 1 5 124 330 GLN .425 1.195 .934 4 5 9 125 331 LEU .185 .217 .202 4 4 8 126 332 ARG .368 2.149 1.728 4 7 11 127 333 GLU .590 1.151 .944 4 5 9 128 334 LEU .483 .446 .465 4 4 8 129 335 CYS .242 .936 .576 4 2 6 130 336 ARG .556 .786 .711 4 7 11 131 337 GLN .618 .939 .812 4 5 9 132 338 TRP .450 .329 .367 4 10 14 133 339 LEU .527 .506 .516 4 4 8 134 340 ARG .810 1.116 1.016 4 7 11 135 341 PRO 1.005 .870 .949 4 3 7 136 342 GLU 1.126 2.243 1.833 4 5 9 137 343 VAL 1.004 1.120 1.055 4 3 7 138 344 ARG .586 1.056 .913 4 7 11 139 345 SER .279 .333 .298 4 2 6 140 346 LYS .208 .691 .534 4 5 9 141 347 GLU .347 1.404 1.072 4 5 9 142 348 GLN .317 .960 .746 4 5 9 143 349 MET .124 .362 .270 4 4 8 144 350 LEU .229 .475 .373 4 4 8 145 351 GLU .137 1.697 1.268 4 5 9 146 352 LEU .101 .066 .086 4 4 8 147 353 LEU .114 .147 .132 4 4 8 148 354 VAL .118 .251 .187 4 3 7 149 355 LEU .158 .834 .600 4 4 8 150 356 GLU .270 .835 .648 4 5 9 151 357 GLN .329 .767 .612 4 5 9 152 358 PHE .371 1.252 1.024 4 7 11 153 359 LEU .586 .868 .741 4 4 8 154 360 GLY .626 .000 .626 4 0 4 155 361 ALA .401 .317 .386 4 1 5 156 362 LEU .553 .604 .579 4 4 8 157 363 PRO .882 .805 .850 4 3 7 158 364 PRO 1.214 1.301 1.252 4 3 7 159 365 GLU 1.348 1.770 1.596 4 5 9 160 366 ILE 1.111 .805 .970 4 4 8 161 367 GLN 1.087 .908 .992 4 5 9 162 368 ALA 1.687 1.817 1.713 4 1 5 163 369 ARG 1.771 2.177 2.038 4 7 11 164 370 VAL 1.578 .900 1.330 4 3 7 165 371 GLN 2.327 2.149 2.230 4 5 9 166 372 GLY 3.043 .000 3.043 4 0 4 167 373 GLN 2.891 3.591 3.298 4 5 9 168 374 ARG 2.437 4.247 3.693 4 7 11 169 375 PRO 1.646 1.142 1.452 4 3 7 170 376 GLY 1.273 .000 1.273 4 0 4 171 377 SER .541 .923 .692 4 2 6 172 378 PRO .369 .372 .371 4 3 7 173 379 GLU .735 1.013 .901 4 5 9 174 380 GLU .820 1.513 1.253 4 5 9 175 381 ALA .708 .672 .701 4 1 5 176 382 ALA .675 .622 .665 4 1 5 177 383 ALA 1.023 1.042 1.026 4 1 5 178 384 LEU 1.086 1.350 1.225 4 4 8 179 385 VAL .996 .929 .968 4 3 7 180 386 ASP 1.166 1.612 1.407 4 4 8 181 387 GLY 1.455 .000 1.455 4 0 4 182 388 LEU 1.312 1.332 1.322 4 4 8 183 389 ARG 1.338 .903 1.082 4 7 11 184 390 ARG 3.729 8.599 7.219 4 7 11 185 391 GLU 4.138 6.206 5.386 4 5 9 186 392 PRO 5.462 3.837 4.833 4 3 7 187 393 GLY 8.358 .000 8.358 4 0 4 188 394 GLY 9.326 .000 9.326 3 0 3 ENDMDL Model RMS deviations: 1.8277 2.0249 1.9270 751 724 1475 MODEL 3 1 1 GLY 3.740 .000 3.740 4 0 4 2 2 SER 3.761 4.845 4.154 4 2 6 3 3 ASP 2.619 2.932 2.780 4 4 8 4 4 PRO 1.782 2.170 1.958 4 3 7 5 5 GLY 1.323 .000 1.323 4 0 4 6 6 PRO .997 1.166 1.072 4 3 7 7 7 GLU 1.105 2.976 2.337 4 5 9 8 8 ALA 1.054 1.467 1.149 4 1 5 9 9 ALA .736 .647 .719 4 1 5 10 10 ARG .742 .949 .880 4 7 11 11 11 LEU .790 1.213 1.024 4 4 8 12 12 ARG .721 1.175 1.033 4 7 11 13 13 PHE .535 1.072 .914 4 7 11 14 14 ARG .587 1.010 .880 4 7 11 15 15 CYS .702 1.404 .993 4 2 6 16 16 PHE .594 .859 .773 4 7 11 17 17 HIS .725 1.079 .953 4 6 10 18 18 TYR .933 1.344 1.223 4 8 12 19 19 GLU .926 1.338 1.173 4 5 9 20 20 GLU .933 1.605 1.348 4 5 9 21 21 ALA 1.154 1.361 1.199 4 1 5 22 22 THR .890 .923 .904 4 3 7 23 23 GLY .699 .000 .699 4 0 4 24 24 PRO .616 .767 .685 4 3 7 25 25 GLN .568 1.014 .845 4 5 9 26 26 GLU .508 1.132 .909 4 5 9 27 27 ALA .366 .465 .388 4 1 5 28 28 LEU .228 .215 .221 4 4 8 29 29 ALA .292 .436 .326 4 1 5 30 30 GLN .172 1.025 .772 4 5 9 31 31 LEU .323 .263 .295 4 4 8 32 32 ARG .464 1.517 1.242 4 7 11 33 33 GLU .516 1.821 1.400 4 5 9 34 34 LEU .562 .449 .509 4 4 8 35 35 CYS .639 1.195 .865 4 2 6 36 36 ARG .588 1.162 .992 4 7 11 37 37 GLN .505 .930 .770 4 5 9 38 38 TRP .632 .774 .736 4 10 14 39 39 LEU .637 1.072 .881 4 4 8 40 40 ARG .546 1.435 1.191 4 7 11 41 41 PRO .785 .847 .812 4 3 7 42 42 GLU .839 2.582 2.004 4 5 9 43 43 VAL .590 .635 .610 4 3 7 44 44 ARG .276 .819 .674 4 7 11 45 45 SER .314 .409 .348 4 2 6 46 46 LYS .495 .784 .671 4 5 9 47 47 GLU .493 1.916 1.466 4 5 9 48 48 GLN .349 .868 .687 4 5 9 49 49 MET .559 .650 .606 4 4 8 50 50 LEU .603 .946 .793 4 4 8 51 51 GLU .624 2.090 1.612 4 5 9 52 52 LEU .643 .674 .659 4 4 8 53 53 LEU .673 .697 .685 4 4 8 54 54 VAL .623 .638 .629 4 3 7 55 55 LEU .599 .916 .774 4 4 8 56 56 GLU .780 1.046 .937 4 5 9 57 57 GLN .770 1.243 1.059 4 5 9 58 58 PHE .701 .908 .839 4 7 11 59 59 LEU .759 1.274 1.049 4 4 8 60 60 GLY .961 .000 .961 4 0 4 61 61 ALA .824 .738 .807 4 1 5 62 62 LEU .847 .758 .803 4 4 8 63 63 PRO .909 .885 .899 4 3 7 64 64 PRO .912 .728 .838 4 3 7 65 65 GLU 1.003 1.163 1.095 4 5 9 66 66 ILE .994 .921 .958 4 4 8 67 67 GLN .995 .999 .997 4 5 9 68 68 ALA 1.263 1.409 1.294 4 1 5 69 69 ARG 1.122 1.909 1.666 4 7 11 70 70 VAL .972 .967 .970 4 3 7 71 71 GLN 1.021 1.416 1.256 4 5 9 72 72 GLY 1.033 .000 1.033 4 0 4 73 73 GLN 1.212 1.707 1.507 4 5 9 74 74 ARG 1.035 1.432 1.302 4 7 11 75 75 PRO 1.224 .951 1.115 4 3 7 76 76 GLY 1.028 .000 1.028 4 0 4 77 77 SER .539 .634 .573 4 2 6 78 78 PRO .383 .352 .370 4 3 7 79 79 GLU .453 .848 .701 4 5 9 80 80 GLU .562 1.173 .951 4 5 9 81 81 ALA .616 .611 .615 4 1 5 82 82 ALA .579 .425 .551 4 1 5 83 83 ALA .894 .615 .846 4 1 5 84 84 LEU 1.253 1.305 1.279 4 4 8 85 85 VAL 1.073 .779 .958 4 3 7 86 86 ASP 1.338 1.457 1.399 4 4 8 87 87 GLY 1.823 .000 1.823 4 0 4 88 88 LEU 1.508 1.480 1.494 4 4 8 89 89 ARG 1.199 1.376 1.314 4 7 11 90 90 ARG 3.081 6.312 5.367 4 7 11 91 91 GLU 5.396 8.456 7.257 4 5 9 92 92 PRO 7.445 6.551 7.076 4 3 7 93 93 GLY 9.253 .000 9.253 4 0 4 94 94 GLY 9.113 .000 9.113 4 0 4 95 301 GLY 3.201 .000 3.201 4 0 4 96 302 SER 2.141 3.678 2.750 4 2 6 97 303 ASP 1.481 1.924 1.717 4 4 8 98 304 PRO .841 .691 .781 4 3 7 99 305 GLY 1.016 .000 1.016 4 0 4 100 306 PRO .872 .918 .892 4 3 7 101 307 GLU .882 1.953 1.570 4 5 9 102 308 ALA .827 .797 .821 4 1 5 103 309 ALA .827 .749 .812 4 1 5 104 310 ARG .835 1.153 1.049 4 7 11 105 311 LEU .920 .886 .903 4 4 8 106 312 ARG .967 1.239 1.148 4 7 11 107 313 PHE .825 1.136 1.034 4 7 11 108 314 ARG .624 .861 .784 4 7 11 109 315 CYS .859 1.485 1.108 4 2 6 110 316 PHE .851 1.059 .989 4 7 11 111 317 HIS .750 1.007 .913 4 6 10 112 318 TYR .580 1.210 1.043 4 8 12 113 319 GLU .517 .784 .678 4 5 9 114 320 GLU .579 1.279 1.029 4 5 9 115 321 ALA .533 .581 .543 4 1 5 116 322 THR .539 .566 .551 4 3 7 117 323 GLY .460 .000 .460 4 0 4 118 324 PRO .496 .596 .541 4 3 7 119 325 GLN .540 .935 .784 4 5 9 120 326 GLU .386 .972 .769 4 5 9 121 327 ALA .293 .252 .285 4 1 5 122 328 LEU .284 .320 .302 4 4 8 123 329 ALA .314 .370 .326 4 1 5 124 330 GLN .365 1.419 1.085 4 5 9 125 331 LEU .444 .471 .458 4 4 8 126 332 ARG .484 1.132 .949 4 7 11 127 333 GLU .562 1.735 1.347 4 5 9 128 334 LEU .618 .578 .598 4 4 8 129 335 CYS .645 .949 .760 4 2 6 130 336 ARG .644 .918 .829 4 7 11 131 337 GLN .757 .985 .891 4 5 9 132 338 TRP .866 .946 .924 4 10 14 133 339 LEU .844 1.164 1.017 4 4 8 134 340 ARG .862 1.399 1.231 4 7 11 135 341 PRO .794 .830 .810 4 3 7 136 342 GLU .900 1.823 1.485 4 5 9 137 343 VAL .907 .871 .892 4 3 7 138 344 ARG .875 .986 .947 4 7 11 139 345 SER .819 2.110 1.390 4 2 6 140 346 LYS .712 1.128 .966 4 5 9 141 347 GLU .598 1.877 1.455 4 5 9 142 348 GLN .571 1.259 1.012 4 5 9 143 349 MET .626 .721 .675 4 4 8 144 350 LEU .642 1.009 .846 4 4 8 145 351 GLU .629 1.742 1.364 4 5 9 146 352 LEU .759 .940 .854 4 4 8 147 353 LEU .672 .674 .673 4 4 8 148 354 VAL .589 .683 .631 4 3 7 149 355 LEU .619 1.165 .933 4 4 8 150 356 GLU .928 1.074 1.012 4 5 9 151 357 GLN .884 1.429 1.217 4 5 9 152 358 PHE .691 .778 .747 4 7 11 153 359 LEU .865 .822 .844 4 4 8 154 360 GLY 1.160 .000 1.160 4 0 4 155 361 ALA 1.080 .921 1.051 4 1 5 156 362 LEU 1.185 .895 1.050 4 4 8 157 363 PRO 1.467 1.511 1.486 4 3 7 158 364 PRO 1.512 1.593 1.548 4 3 7 159 365 GLU 1.534 1.951 1.778 4 5 9 160 366 ILE 1.315 1.291 1.303 4 4 8 161 367 GLN 1.200 1.263 1.235 4 5 9 162 368 ALA 1.432 1.770 1.505 4 1 5 163 369 ARG 1.227 3.220 2.673 4 7 11 164 370 VAL .826 .907 .862 4 3 7 165 371 GLN .887 1.410 1.206 4 5 9 166 372 GLY .464 .000 .464 4 0 4 167 373 GLN .443 1.429 1.105 4 5 9 168 374 ARG .537 1.709 1.401 4 7 11 169 375 PRO .618 .251 .495 4 3 7 170 376 GLY .522 .000 .522 4 0 4 171 377 SER .477 1.190 .790 4 2 6 172 378 PRO .263 .466 .364 4 3 7 173 379 GLU .423 1.038 .823 4 5 9 174 380 GLU .500 1.044 .846 4 5 9 175 381 ALA .374 .250 .353 4 1 5 176 382 ALA .521 .404 .500 4 1 5 177 383 ALA .747 .672 .733 4 1 5 178 384 LEU .794 .817 .806 4 4 8 179 385 VAL .838 .795 .820 4 3 7 180 386 ASP 1.053 1.308 1.188 4 4 8 181 387 GLY 1.201 .000 1.201 4 0 4 182 388 LEU 1.515 1.354 1.437 4 4 8 183 389 ARG 1.937 1.819 1.862 4 7 11 184 390 ARG 1.927 6.194 5.076 4 7 11 185 391 GLU 3.703 5.844 5.007 4 5 9 186 392 PRO 5.768 5.413 5.618 4 3 7 187 393 GLY 7.843 .000 7.843 4 0 4 188 394 GLY 9.356 .000 9.356 3 0 3 ENDMDL Model RMS deviations: 1.8089 1.8536 1.8310 751 724 1475 MODEL 4 1 1 GLY 4.393 .000 4.393 4 0 4 2 2 SER 2.680 3.803 3.100 4 2 6 3 3 ASP 1.346 1.333 1.340 4 4 8 4 4 PRO .847 .794 .825 4 3 7 5 5 GLY .559 .000 .559 4 0 4 6 6 PRO .494 .787 .636 4 3 7 7 7 GLU .595 1.447 1.149 4 5 9 8 8 ALA .630 .897 .692 4 1 5 9 9 ALA .459 .437 .455 4 1 5 10 10 ARG .274 .669 .558 4 7 11 11 11 LEU .382 .246 .321 4 4 8 12 12 ARG .536 1.404 1.165 4 7 11 13 13 PHE .291 .910 .747 4 7 11 14 14 ARG .597 1.318 1.112 4 7 11 15 15 CYS .770 1.826 1.228 4 2 6 16 16 PHE .620 1.078 .938 4 7 11 17 17 HIS .507 1.177 .967 4 6 10 18 18 TYR .359 .767 .659 4 8 12 19 19 GLU .280 .811 .632 4 5 9 20 20 GLU .728 1.280 1.070 4 5 9 21 21 ALA .884 1.138 .940 4 1 5 22 22 THR .447 .698 .568 4 3 7 23 23 GLY .216 .000 .216 4 0 4 24 24 PRO .154 .282 .218 4 3 7 25 25 GLN .292 1.107 .848 4 5 9 26 26 GLU .267 .812 .631 4 5 9 27 27 ALA .141 .155 .144 4 1 5 28 28 LEU .128 .122 .125 4 4 8 29 29 ALA .210 .277 .225 4 1 5 30 30 GLN .169 1.169 .879 4 5 9 31 31 LEU .104 .085 .095 4 4 8 32 32 ARG .156 1.295 1.037 4 7 11 33 33 GLU .158 2.016 1.506 4 5 9 34 34 LEU .120 .274 .212 4 4 8 35 35 CYS .109 .912 .534 4 2 6 36 36 ARG .114 1.461 1.168 4 7 11 37 37 GLN .215 .984 .747 4 5 9 38 38 TRP .214 .162 .179 4 10 14 39 39 LEU .191 .330 .270 4 4 8 40 40 ARG .118 1.853 1.480 4 7 11 41 41 PRO .218 .258 .236 4 3 7 42 42 GLU .518 2.076 1.585 4 5 9 43 43 VAL .440 1.795 1.221 4 3 7 44 44 ARG .206 .864 .700 4 7 11 45 45 SER .181 .282 .220 4 2 6 46 46 LYS .194 .471 .374 4 5 9 47 47 GLU .336 1.233 .946 4 5 9 48 48 GLN .242 1.695 1.274 4 5 9 49 49 MET .166 .139 .153 4 4 8 50 50 LEU .172 .496 .371 4 4 8 51 51 GLU .245 1.043 .794 4 5 9 52 52 LEU .167 .276 .228 4 4 8 53 53 LEU .145 .149 .147 4 4 8 54 54 VAL .179 .162 .172 4 3 7 55 55 LEU .173 1.060 .759 4 4 8 56 56 GLU .127 .898 .674 4 5 9 57 57 GLN .222 1.156 .874 4 5 9 58 58 PHE .169 .733 .594 4 7 11 59 59 LEU .245 .750 .558 4 4 8 60 60 GLY .372 .000 .372 4 0 4 61 61 ALA .382 .342 .375 4 1 5 62 62 LEU .465 .270 .380 4 4 8 63 63 PRO .780 .829 .801 4 3 7 64 64 PRO 1.131 1.297 1.205 4 3 7 65 65 GLU .977 2.043 1.656 4 5 9 66 66 ILE .667 .438 .564 4 4 8 67 67 GLN .825 .654 .735 4 5 9 68 68 ALA 1.266 1.416 1.298 4 1 5 69 69 ARG 1.286 1.673 1.543 4 7 11 70 70 VAL 1.071 .987 1.036 4 3 7 71 71 GLN 1.132 1.041 1.083 4 5 9 72 72 GLY .942 .000 .942 4 0 4 73 73 GLN 1.196 2.107 1.761 4 5 9 74 74 ARG 1.139 1.792 1.586 4 7 11 75 75 PRO .684 .478 .605 4 3 7 76 76 GLY .791 .000 .791 4 0 4 77 77 SER .398 .725 .530 4 2 6 78 78 PRO .232 .215 .225 4 3 7 79 79 GLU .224 .909 .694 4 5 9 80 80 GLU .259 .821 .636 4 5 9 81 81 ALA .203 .265 .217 4 1 5 82 82 ALA .152 .179 .158 4 1 5 83 83 ALA .263 .353 .283 4 1 5 84 84 LEU .299 .650 .506 4 4 8 85 85 VAL .283 .217 .257 4 3 7 86 86 ASP .373 .791 .619 4 4 8 87 87 GLY .755 .000 .755 4 0 4 88 88 LEU 1.082 .734 .924 4 4 8 89 89 ARG 1.062 1.171 1.132 4 7 11 90 90 ARG 2.826 7.463 6.193 4 7 11 91 91 GLU 1.296 3.416 2.689 4 5 9 92 92 PRO 3.252 4.503 3.839 4 3 7 93 93 GLY 4.503 .000 4.503 4 0 4 94 94 GLY 6.344 .000 6.344 4 0 4 95 301 GLY 1.492 .000 1.492 4 0 4 96 302 SER .944 1.571 1.190 4 2 6 97 303 ASP 1.594 1.940 1.775 4 4 8 98 304 PRO 1.702 1.960 1.817 4 3 7 99 305 GLY 1.135 .000 1.135 4 0 4 100 306 PRO .477 .597 .531 4 3 7 101 307 GLU .365 1.452 1.109 4 5 9 102 308 ALA .203 .247 .213 4 1 5 103 309 ALA .268 .348 .286 4 1 5 104 310 ARG .206 .266 .246 4 7 11 105 311 LEU .262 .506 .403 4 4 8 106 312 ARG .328 1.494 1.208 4 7 11 107 313 PHE .173 .836 .675 4 7 11 108 314 ARG .317 .567 .491 4 7 11 109 315 CYS .371 1.018 .661 4 2 6 110 316 PHE .371 .830 .699 4 7 11 111 317 HIS .332 .794 .650 4 6 10 112 318 TYR .288 .807 .680 4 8 12 113 319 GLU .231 .762 .588 4 5 9 114 320 GLU .233 .839 .644 4 5 9 115 321 ALA .266 .226 .259 4 1 5 116 322 THR .182 .224 .201 4 3 7 117 323 GLY .151 .000 .151 4 0 4 118 324 PRO .190 .103 .158 4 3 7 119 325 GLN .276 .932 .718 4 5 9 120 326 GLU .298 .795 .625 4 5 9 121 327 ALA .262 .355 .283 4 1 5 122 328 LEU .287 .218 .255 4 4 8 123 329 ALA .328 .410 .346 4 1 5 124 330 GLN .244 1.458 1.099 4 5 9 125 331 LEU .142 .103 .124 4 4 8 126 332 ARG .238 1.424 1.145 4 7 11 127 333 GLU .194 1.836 1.375 4 5 9 128 334 LEU .150 .149 .150 4 4 8 129 335 CYS .223 .877 .538 4 2 6 130 336 ARG .258 .908 .741 4 7 11 131 337 GLN .285 .794 .622 4 5 9 132 338 TRP .288 .231 .249 4 10 14 133 339 LEU .159 .309 .245 4 4 8 134 340 ARG .192 2.174 1.738 4 7 11 135 341 PRO .306 .308 .306 4 3 7 136 342 GLU .687 1.883 1.476 4 5 9 137 343 VAL .668 1.908 1.348 4 3 7 138 344 ARG .312 .502 .442 4 7 11 139 345 SER .202 .596 .382 4 2 6 140 346 LYS .215 .523 .415 4 5 9 141 347 GLU .234 1.059 .805 4 5 9 142 348 GLN .267 1.847 1.388 4 5 9 143 349 MET .181 .153 .167 4 4 8 144 350 LEU .121 .318 .241 4 4 8 145 351 GLU .253 1.042 .795 4 5 9 146 352 LEU .150 .306 .241 4 4 8 147 353 LEU .125 .099 .113 4 4 8 148 354 VAL .206 .196 .202 4 3 7 149 355 LEU .237 .822 .605 4 4 8 150 356 GLU .139 .826 .623 4 5 9 151 357 GLN .271 1.146 .873 4 5 9 152 358 PHE .266 .645 .539 4 7 11 153 359 LEU .478 .756 .633 4 4 8 154 360 GLY .616 .000 .616 4 0 4 155 361 ALA .696 .533 .666 4 1 5 156 362 LEU .823 .669 .750 4 4 8 157 363 PRO 1.087 1.140 1.110 4 3 7 158 364 PRO 1.274 1.440 1.348 4 3 7 159 365 GLU 1.419 1.792 1.637 4 5 9 160 366 ILE 1.112 .956 1.037 4 4 8 161 367 GLN 1.112 .979 1.040 4 5 9 162 368 ALA 1.459 1.562 1.480 4 1 5 163 369 ARG 1.462 1.591 1.545 4 7 11 164 370 VAL 1.211 1.107 1.167 4 3 7 165 371 GLN 1.214 1.504 1.383 4 5 9 166 372 GLY 1.063 .000 1.063 4 0 4 167 373 GLN 1.037 2.370 1.897 4 5 9 168 374 ARG 1.381 1.937 1.755 4 7 11 169 375 PRO 1.279 .932 1.143 4 3 7 170 376 GLY 1.206 .000 1.206 4 0 4 171 377 SER .481 .820 .615 4 2 6 172 378 PRO .203 .207 .205 4 3 7 173 379 GLU .248 .947 .725 4 5 9 174 380 GLU .350 1.011 .789 4 5 9 175 381 ALA .366 .351 .363 4 1 5 176 382 ALA .413 .379 .406 4 1 5 177 383 ALA .540 .454 .524 4 1 5 178 384 LEU .577 .849 .726 4 4 8 179 385 VAL .744 .695 .724 4 3 7 180 386 ASP .874 1.501 1.228 4 4 8 181 387 GLY .984 .000 .984 4 0 4 182 388 LEU .951 .923 .937 4 4 8 183 389 ARG .996 1.869 1.608 4 7 11 184 390 ARG 2.033 6.120 5.033 4 7 11 185 391 GLU 2.484 5.550 4.456 4 5 9 186 392 PRO 4.115 5.318 4.669 4 3 7 187 393 GLY 5.416 .000 5.416 4 0 4 188 394 GLY 7.424 .000 7.424 3 0 3 ENDMDL Model RMS deviations: 1.2135 1.6196 1.4273 751 724 1475 MODEL 5 1 1 GLY 2.280 .000 2.280 4 0 4 2 2 SER 2.043 2.871 2.352 4 2 6 3 3 ASP 2.173 3.147 2.704 4 4 8 4 4 PRO 1.326 1.397 1.357 4 3 7 5 5 GLY 1.188 .000 1.188 4 0 4 6 6 PRO 1.457 1.967 1.695 4 3 7 7 7 GLU .889 1.405 1.203 4 5 9 8 8 ALA .483 .482 .483 4 1 5 9 9 ALA .436 .480 .445 4 1 5 10 10 ARG .582 1.371 1.148 4 7 11 11 11 LEU .505 .659 .587 4 4 8 12 12 ARG .371 .526 .476 4 7 11 13 13 PHE .380 .945 .788 4 7 11 14 14 ARG .647 1.224 1.052 4 7 11 15 15 CYS .742 1.650 1.129 4 2 6 16 16 PHE .572 .988 .860 4 7 11 17 17 HIS .610 1.021 .880 4 6 10 18 18 TYR .705 1.223 1.079 4 8 12 19 19 GLU 1.036 1.458 1.288 4 5 9 20 20 GLU 1.337 1.153 1.238 4 5 9 21 21 ALA 1.539 1.788 1.592 4 1 5 22 22 THR 1.220 1.176 1.201 4 3 7 23 23 GLY 1.055 .000 1.055 4 0 4 24 24 PRO .830 .997 .905 4 3 7 25 25 GLN .629 1.407 1.129 4 5 9 26 26 GLU .756 1.388 1.151 4 5 9 27 27 ALA .650 .659 .652 4 1 5 28 28 LEU .575 .599 .587 4 4 8 29 29 ALA .624 .749 .651 4 1 5 30 30 GLN .618 1.230 1.005 4 5 9 31 31 LEU .416 .357 .388 4 4 8 32 32 ARG .371 1.889 1.523 4 7 11 33 33 GLU .302 .965 .747 4 5 9 34 34 LEU .369 .524 .453 4 4 8 35 35 CYS .346 .819 .551 4 2 6 36 36 ARG .313 .332 .325 4 7 11 37 37 GLN .436 1.286 1.002 4 5 9 38 38 TRP .610 .615 .613 4 10 14 39 39 LEU .444 .814 .656 4 4 8 40 40 ARG .314 1.600 1.290 4 7 11 41 41 PRO .254 .221 .240 4 3 7 42 42 GLU .222 2.092 1.566 4 5 9 43 43 VAL .331 .257 .301 4 3 7 44 44 ARG .104 1.074 .859 4 7 11 45 45 SER .119 .389 .245 4 2 6 46 46 LYS .257 .842 .650 4 5 9 47 47 GLU .361 1.816 1.375 4 5 9 48 48 GLN .273 1.116 .851 4 5 9 49 49 MET .104 .098 .101 4 4 8 50 50 LEU .054 .400 .286 4 4 8 51 51 GLU .154 1.825 1.364 4 5 9 52 52 LEU .232 .202 .218 4 4 8 53 53 LEU .216 .270 .245 4 4 8 54 54 VAL .151 .144 .148 4 3 7 55 55 LEU .246 .923 .676 4 4 8 56 56 GLU .269 1.013 .776 4 5 9 57 57 GLN .332 .840 .664 4 5 9 58 58 PHE .368 1.151 .945 4 7 11 59 59 LEU .474 .872 .702 4 4 8 60 60 GLY .447 .000 .447 4 0 4 61 61 ALA .492 .416 .478 4 1 5 62 62 LEU .662 .717 .690 4 4 8 63 63 PRO .774 .737 .758 4 3 7 64 64 PRO .845 .866 .854 4 3 7 65 65 GLU .969 1.379 1.214 4 5 9 66 66 ILE .964 .974 .969 4 4 8 67 67 GLN .844 .615 .726 4 5 9 68 68 ALA .951 .903 .941 4 1 5 69 69 ARG 1.092 1.623 1.452 4 7 11 70 70 VAL 1.078 1.107 1.091 4 3 7 71 71 GLN 1.037 1.119 1.083 4 5 9 72 72 GLY 1.012 .000 1.012 4 0 4 73 73 GLN 1.041 .967 1.001 4 5 9 74 74 ARG .827 3.028 2.467 4 7 11 75 75 PRO .718 .713 .716 4 3 7 76 76 GLY .729 .000 .729 4 0 4 77 77 SER .582 .543 .570 4 2 6 78 78 PRO .545 .403 .490 4 3 7 79 79 GLU .690 .879 .801 4 5 9 80 80 GLU .841 1.240 1.081 4 5 9 81 81 ALA .841 .729 .820 4 1 5 82 82 ALA .925 .955 .931 4 1 5 83 83 ALA .978 1.189 1.024 4 1 5 84 84 LEU .831 .880 .855 4 4 8 85 85 VAL .824 1.011 .909 4 3 7 86 86 ASP .730 .985 .867 4 4 8 87 87 GLY .591 .000 .591 4 0 4 88 88 LEU .650 .622 .636 4 4 8 89 89 ARG .666 1.132 .988 4 7 11 90 90 ARG 2.137 7.219 5.901 4 7 11 91 91 GLU 3.722 4.790 4.348 4 5 9 92 92 PRO 4.717 3.286 4.165 4 3 7 93 93 GLY 5.930 .000 5.930 4 0 4 94 94 GLY 7.554 .000 7.554 4 0 4 95 301 GLY 2.132 .000 2.132 4 0 4 96 302 SER 1.060 1.400 1.184 4 2 6 97 303 ASP .883 1.900 1.481 4 4 8 98 304 PRO 1.415 1.961 1.671 4 3 7 99 305 GLY .900 .000 .900 4 0 4 100 306 PRO .850 .934 .887 4 3 7 101 307 GLU .621 1.301 1.054 4 5 9 102 308 ALA .424 .631 .472 4 1 5 103 309 ALA .172 .104 .161 4 1 5 104 310 ARG .188 .462 .386 4 7 11 105 311 LEU .253 .466 .375 4 4 8 106 312 ARG .259 .940 .766 4 7 11 107 313 PHE .246 .833 .681 4 7 11 108 314 ARG .313 2.781 2.227 4 7 11 109 315 CYS .152 .678 .410 4 2 6 110 316 PHE .362 .829 .696 4 7 11 111 317 HIS .599 1.041 .891 4 6 10 112 318 TYR .653 .900 .826 4 8 12 113 319 GLU .638 .878 .780 4 5 9 114 320 GLU 1.002 1.461 1.277 4 5 9 115 321 ALA .974 1.086 .997 4 1 5 116 322 THR .877 .845 .863 4 3 7 117 323 GLY .857 .000 .857 4 0 4 118 324 PRO .770 .916 .835 4 3 7 119 325 GLN .774 1.651 1.334 4 5 9 120 326 GLU .663 1.049 .898 4 5 9 121 327 ALA .587 .683 .608 4 1 5 122 328 LEU .496 .553 .525 4 4 8 123 329 ALA .479 .504 .484 4 1 5 124 330 GLN .296 1.241 .946 4 5 9 125 331 LEU .184 .278 .236 4 4 8 126 332 ARG .139 1.033 .828 4 7 11 127 333 GLU .166 1.101 .828 4 5 9 128 334 LEU .116 .226 .180 4 4 8 129 335 CYS .112 .695 .412 4 2 6 130 336 ARG .152 1.391 1.114 4 7 11 131 337 GLN .166 1.061 .798 4 5 9 132 338 TRP .243 .119 .164 4 10 14 133 339 LEU .236 .220 .228 4 4 8 134 340 ARG .162 1.732 1.385 4 7 11 135 341 PRO .166 .139 .155 4 3 7 136 342 GLU .112 2.309 1.722 4 5 9 137 343 VAL .149 .275 .212 4 3 7 138 344 ARG .196 .651 .532 4 7 11 139 345 SER .255 .450 .333 4 2 6 140 346 LYS .185 .659 .506 4 5 9 141 347 GLU .218 2.270 1.698 4 5 9 142 348 GLN .262 1.234 .936 4 5 9 143 349 MET .199 .137 .171 4 4 8 144 350 LEU .256 .459 .371 4 4 8 145 351 GLU .247 1.235 .935 4 5 9 146 352 LEU .224 .294 .262 4 4 8 147 353 LEU .232 .243 .237 4 4 8 148 354 VAL .318 .269 .298 4 3 7 149 355 LEU .298 .757 .576 4 4 8 150 356 GLU .192 .913 .693 4 5 9 151 357 GLN .255 .757 .590 4 5 9 152 358 PHE .327 1.240 1.008 4 7 11 153 359 LEU .359 .699 .556 4 4 8 154 360 GLY .240 .000 .240 4 0 4 155 361 ALA .447 .372 .433 4 1 5 156 362 LEU .478 .639 .564 4 4 8 157 363 PRO .489 .545 .514 4 3 7 158 364 PRO .451 .402 .431 4 3 7 159 365 GLU .605 .891 .777 4 5 9 160 366 ILE .676 .760 .720 4 4 8 161 367 GLN .594 .353 .475 4 5 9 162 368 ALA .657 .524 .633 4 1 5 163 369 ARG .849 1.181 1.072 4 7 11 164 370 VAL .978 .786 .901 4 3 7 165 371 GLN 1.017 1.127 1.079 4 5 9 166 372 GLY 1.166 .000 1.166 4 0 4 167 373 GLN 1.398 1.205 1.294 4 5 9 168 374 ARG 1.037 2.698 2.242 4 7 11 169 375 PRO .991 .980 .986 4 3 7 170 376 GLY .504 .000 .504 4 0 4 171 377 SER .526 .704 .591 4 2 6 172 378 PRO .580 .506 .550 4 3 7 173 379 GLU .793 .883 .844 4 5 9 174 380 GLU .901 1.135 1.037 4 5 9 175 381 ALA .883 .748 .858 4 1 5 176 382 ALA 1.098 1.167 1.112 4 1 5 177 383 ALA 1.213 1.328 1.237 4 1 5 178 384 LEU 1.145 1.142 1.143 4 4 8 179 385 VAL .961 1.125 1.034 4 3 7 180 386 ASP .903 1.406 1.182 4 4 8 181 387 GLY .890 .000 .890 4 0 4 182 388 LEU .785 .903 .846 4 4 8 183 389 ARG .776 1.179 1.051 4 7 11 184 390 ARG 3.217 8.137 6.775 4 7 11 185 391 GLU 4.238 5.816 5.174 4 5 9 186 392 PRO 4.589 2.523 3.842 4 3 7 187 393 GLY 7.278 .000 7.278 4 0 4 188 394 GLY 9.622 .000 9.622 3 0 3 ENDMDL Model RMS deviations: 1.4664 1.7254 1.5988 751 724 1475 MODEL 6 1 1 GLY 6.042 .000 6.042 4 0 4 2 2 SER 3.281 4.484 3.726 4 2 6 3 3 ASP 1.738 2.154 1.957 4 4 8 4 4 PRO 1.162 1.072 1.124 4 3 7 5 5 GLY 1.057 .000 1.057 4 0 4 6 6 PRO 1.158 1.533 1.332 4 3 7 7 7 GLU .918 3.675 2.807 4 5 9 8 8 ALA .755 .991 .808 4 1 5 9 9 ALA .661 .740 .677 4 1 5 10 10 ARG .292 .954 .781 4 7 11 11 11 LEU .409 .344 .378 4 4 8 12 12 ARG .823 1.295 1.146 4 7 11 13 13 PHE .762 1.000 .920 4 7 11 14 14 ARG 1.164 1.736 1.553 4 7 11 15 15 CYS 1.682 2.218 1.878 4 2 6 16 16 PHE 1.178 1.399 1.323 4 7 11 17 17 HIS .938 .980 .963 4 6 10 18 18 TYR .815 1.164 1.060 4 8 12 19 19 GLU .728 1.026 .905 4 5 9 20 20 GLU .628 1.658 1.305 4 5 9 21 21 ALA .575 .562 .573 4 1 5 22 22 THR .724 .738 .730 4 3 7 23 23 GLY .778 .000 .778 4 0 4 24 24 PRO .611 .677 .640 4 3 7 25 25 GLN .477 1.181 .936 4 5 9 26 26 GLU .542 .924 .777 4 5 9 27 27 ALA .650 .706 .662 4 1 5 28 28 LEU .620 .629 .624 4 4 8 29 29 ALA .633 .741 .656 4 1 5 30 30 GLN .594 1.414 1.126 4 5 9 31 31 LEU .469 .562 .518 4 4 8 32 32 ARG .378 .995 .826 4 7 11 33 33 GLU .366 1.948 1.472 4 5 9 34 34 LEU .400 .903 .698 4 4 8 35 35 CYS .179 .700 .430 4 2 6 36 36 ARG .285 2.833 2.266 4 7 11 37 37 GLN .440 1.883 1.434 4 5 9 38 38 TRP .400 .285 .322 4 10 14 39 39 LEU .465 .297 .390 4 4 8 40 40 ARG .549 1.963 1.601 4 7 11 41 41 PRO .628 .740 .679 4 3 7 42 42 GLU .517 1.671 1.292 4 5 9 43 43 VAL .431 .426 .429 4 3 7 44 44 ARG .282 1.061 .864 4 7 11 45 45 SER .319 1.112 .693 4 2 6 46 46 LYS .350 1.001 .781 4 5 9 47 47 GLU .489 2.052 1.564 4 5 9 48 48 GLN .529 1.900 1.460 4 5 9 49 49 MET .352 .396 .375 4 4 8 50 50 LEU .333 1.125 .830 4 4 8 51 51 GLU .425 1.530 1.175 4 5 9 52 52 LEU .344 .703 .554 4 4 8 53 53 LEU .304 .528 .431 4 4 8 54 54 VAL .313 .316 .314 4 3 7 55 55 LEU .295 .905 .673 4 4 8 56 56 GLU .263 .854 .660 4 5 9 57 57 GLN .294 1.786 1.345 4 5 9 58 58 PHE .375 .874 .733 4 7 11 59 59 LEU .312 .853 .642 4 4 8 60 60 GLY .213 .000 .213 4 0 4 61 61 ALA .289 .350 .302 4 1 5 62 62 LEU .341 .420 .383 4 4 8 63 63 PRO .188 .232 .208 4 3 7 64 64 PRO .159 .333 .249 4 3 7 65 65 GLU .309 1.571 1.189 4 5 9 66 66 ILE .231 .261 .247 4 4 8 67 67 GLN .188 .232 .214 4 5 9 68 68 ALA .280 .261 .276 4 1 5 69 69 ARG .417 .512 .479 4 7 11 70 70 VAL .408 .446 .424 4 3 7 71 71 GLN .449 1.349 1.049 4 5 9 72 72 GLY .423 .000 .423 4 0 4 73 73 GLN .690 1.772 1.399 4 5 9 74 74 ARG .800 1.053 .969 4 7 11 75 75 PRO 1.014 .451 .822 4 3 7 76 76 GLY 1.138 .000 1.138 4 0 4 77 77 SER .486 1.341 .870 4 2 6 78 78 PRO .308 .250 .284 4 3 7 79 79 GLU .419 .886 .717 4 5 9 80 80 GLU .564 1.060 .875 4 5 9 81 81 ALA .562 .421 .537 4 1 5 82 82 ALA .788 .784 .787 4 1 5 83 83 ALA .864 .961 .885 4 1 5 84 84 LEU .753 1.023 .898 4 4 8 85 85 VAL .677 .590 .641 4 3 7 86 86 ASP .882 1.677 1.340 4 4 8 87 87 GLY .867 .000 .867 4 0 4 88 88 LEU .362 .535 .457 4 4 8 89 89 ARG 1.120 1.667 1.491 4 7 11 90 90 ARG 1.243 4.935 4.007 4 7 11 91 91 GLU 3.946 5.853 5.094 4 5 9 92 92 PRO 8.030 7.194 7.683 4 3 7 93 93 GLY 10.924 .000 10.924 4 0 4 94 94 GLY 13.591 .000 13.591 4 0 4 95 301 GLY 3.596 .000 3.596 4 0 4 96 302 SER 2.450 3.026 2.656 4 2 6 97 303 ASP 1.181 1.993 1.638 4 4 8 98 304 PRO .582 .625 .601 4 3 7 99 305 GLY .397 .000 .397 4 0 4 100 306 PRO .361 .665 .514 4 3 7 101 307 GLU .301 2.828 2.117 4 5 9 102 308 ALA .182 .393 .239 4 1 5 103 309 ALA .193 .173 .189 4 1 5 104 310 ARG .384 2.675 2.147 4 7 11 105 311 LEU .337 .350 .343 4 4 8 106 312 ARG .363 .595 .523 4 7 11 107 313 PHE .465 .992 .840 4 7 11 108 314 ARG .469 2.120 1.714 4 7 11 109 315 CYS .665 .871 .740 4 2 6 110 316 PHE .594 1.249 1.059 4 7 11 111 317 HIS .571 .984 .843 4 6 10 112 318 TYR .630 .841 .777 4 8 12 113 319 GLU .905 1.268 1.121 4 5 9 114 320 GLU 1.334 1.485 1.420 4 5 9 115 321 ALA 1.560 1.654 1.579 4 1 5 116 322 THR 1.354 1.366 1.359 4 3 7 117 323 GLY 1.066 .000 1.066 4 0 4 118 324 PRO .697 .844 .764 4 3 7 119 325 GLN .683 .998 .872 4 5 9 120 326 GLU .825 1.370 1.160 4 5 9 121 327 ALA .597 .592 .596 4 1 5 122 328 LEU .539 .438 .491 4 4 8 123 329 ALA .612 .663 .623 4 1 5 124 330 GLN .584 1.268 1.022 4 5 9 125 331 LEU .548 .574 .561 4 4 8 126 332 ARG .436 .759 .660 4 7 11 127 333 GLU .400 .880 .708 4 5 9 128 334 LEU .491 .680 .593 4 4 8 129 335 CYS .441 .875 .620 4 2 6 130 336 ARG .360 1.178 .965 4 7 11 131 337 GLN .369 .896 .712 4 5 9 132 338 TRP .328 .305 .312 4 10 14 133 339 LEU .747 1.169 .981 4 4 8 134 340 ARG .527 2.137 1.734 4 7 11 135 341 PRO .720 .778 .745 4 3 7 136 342 GLU .627 1.872 1.457 4 5 9 137 343 VAL .501 .550 .523 4 3 7 138 344 ARG .365 .823 .693 4 7 11 139 345 SER .395 .554 .454 4 2 6 140 346 LYS .351 1.177 .908 4 5 9 141 347 GLU .494 1.531 1.188 4 5 9 142 348 GLN .616 1.175 .967 4 5 9 143 349 MET .386 .419 .403 4 4 8 144 350 LEU .274 .350 .314 4 4 8 145 351 GLU .292 1.332 1.012 4 5 9 146 352 LEU .344 .597 .487 4 4 8 147 353 LEU .271 .289 .280 4 4 8 148 354 VAL .445 .482 .461 4 3 7 149 355 LEU .535 1.145 .894 4 4 8 150 356 GLU .637 1.614 1.276 4 5 9 151 357 GLN .807 1.404 1.177 4 5 9 152 358 PHE .794 .871 .844 4 7 11 153 359 LEU .923 1.091 1.011 4 4 8 154 360 GLY .983 .000 .983 4 0 4 155 361 ALA .931 .924 .930 4 1 5 156 362 LEU .930 .788 .862 4 4 8 157 363 PRO .710 .504 .630 4 3 7 158 364 PRO .725 .926 .818 4 3 7 159 365 GLU .588 1.831 1.420 4 5 9 160 366 ILE .555 .402 .484 4 4 8 161 367 GLN .908 .914 .911 4 5 9 162 368 ALA 1.162 1.060 1.142 4 1 5 163 369 ARG .914 1.981 1.673 4 7 11 164 370 VAL 1.079 .865 .993 4 3 7 165 371 GLN 1.699 1.583 1.636 4 5 9 166 372 GLY 1.831 .000 1.831 4 0 4 167 373 GLN 1.501 2.579 2.167 4 5 9 168 374 ARG 1.396 3.958 3.268 4 7 11 169 375 PRO .853 .808 .834 4 3 7 170 376 GLY .915 .000 .915 4 0 4 171 377 SER .716 .981 .814 4 2 6 172 378 PRO .606 .665 .632 4 3 7 173 379 GLU .618 .975 .835 4 5 9 174 380 GLU .637 .940 .819 4 5 9 175 381 ALA .659 .590 .646 4 1 5 176 382 ALA .704 .699 .703 4 1 5 177 383 ALA .624 .822 .668 4 1 5 178 384 LEU .708 1.143 .951 4 4 8 179 385 VAL .593 .758 .669 4 3 7 180 386 ASP .529 .804 .681 4 4 8 181 387 GLY .786 .000 .786 4 0 4 182 388 LEU .614 .355 .502 4 4 8 183 389 ARG 1.296 .565 .902 4 7 11 184 390 ARG 1.364 4.653 3.802 4 7 11 185 391 GLU 4.370 6.219 5.475 4 5 9 186 392 PRO 8.561 8.240 8.425 4 3 7 187 393 GLY 10.422 .000 10.422 4 0 4 188 394 GLY 13.452 .000 13.452 3 0 3 ENDMDL Model RMS deviations: 2.1640 1.7939 1.9909 751 724 1475 MODEL 7 1 1 GLY 2.933 .000 2.933 4 0 4 2 2 SER 1.959 3.028 2.370 4 2 6 3 3 ASP .977 1.155 1.070 4 4 8 4 4 PRO 1.452 1.626 1.529 4 3 7 5 5 GLY 1.299 .000 1.299 4 0 4 6 6 PRO 1.426 1.711 1.555 4 3 7 7 7 GLU 1.217 3.600 2.803 4 5 9 8 8 ALA .881 .901 .885 4 1 5 9 9 ALA .675 .664 .673 4 1 5 10 10 ARG .650 1.091 .955 4 7 11 11 11 LEU .752 .982 .874 4 4 8 12 12 ARG .627 1.124 .973 4 7 11 13 13 PHE .545 .987 .854 4 7 11 14 14 ARG .704 1.469 1.246 4 7 11 15 15 CYS .706 1.691 1.134 4 2 6 16 16 PHE .426 1.017 .851 4 7 11 17 17 HIS .227 .501 .414 4 6 10 18 18 TYR .334 .881 .745 4 8 12 19 19 GLU .441 .819 .677 4 5 9 20 20 GLU 1.016 1.537 1.331 4 5 9 21 21 ALA 1.161 1.049 1.140 4 1 5 22 22 THR 1.099 .870 1.008 4 3 7 23 23 GLY 1.089 .000 1.089 4 0 4 24 24 PRO 1.053 1.179 1.109 4 3 7 25 25 GLN 1.129 2.087 1.728 4 5 9 26 26 GLU .949 1.427 1.238 4 5 9 27 27 ALA .495 .407 .479 4 1 5 28 28 LEU .632 .864 .757 4 4 8 29 29 ALA .699 .866 .736 4 1 5 30 30 GLN .358 1.224 .943 4 5 9 31 31 LEU .121 .255 .200 4 4 8 32 32 ARG .188 2.632 2.102 4 7 11 33 33 GLU .318 1.878 1.416 4 5 9 34 34 LEU .331 .301 .316 4 4 8 35 35 CYS .237 .795 .498 4 2 6 36 36 ARG .321 1.016 .834 4 7 11 37 37 GLN .434 1.344 1.043 4 5 9 38 38 TRP .409 .480 .461 4 10 14 39 39 LEU .325 .693 .541 4 4 8 40 40 ARG .284 2.148 1.722 4 7 11 41 41 PRO .434 .521 .473 4 3 7 42 42 GLU .568 2.432 1.852 4 5 9 43 43 VAL .569 .637 .600 4 3 7 44 44 ARG .455 1.214 1.007 4 7 11 45 45 SER .323 .564 .419 4 2 6 46 46 LYS .208 1.770 1.327 4 5 9 47 47 GLU .157 1.087 .817 4 5 9 48 48 GLN .168 1.772 1.326 4 5 9 49 49 MET .147 .131 .139 4 4 8 50 50 LEU .163 .508 .377 4 4 8 51 51 GLU .268 1.789 1.345 4 5 9 52 52 LEU .210 .111 .168 4 4 8 53 53 LEU .148 .277 .222 4 4 8 54 54 VAL .325 .473 .395 4 3 7 55 55 LEU .600 1.297 1.010 4 4 8 56 56 GLU .677 1.014 .880 4 5 9 57 57 GLN .751 .999 .897 4 5 9 58 58 PHE .852 1.184 1.075 4 7 11 59 59 LEU 1.141 1.480 1.322 4 4 8 60 60 GLY 1.119 .000 1.119 4 0 4 61 61 ALA .971 .712 .925 4 1 5 62 62 LEU 1.230 1.238 1.234 4 4 8 63 63 PRO 1.487 1.431 1.463 4 3 7 64 64 PRO 1.662 1.632 1.649 4 3 7 65 65 GLU 1.534 1.284 1.401 4 5 9 66 66 ILE 1.533 1.431 1.483 4 4 8 67 67 GLN 1.620 1.409 1.507 4 5 9 68 68 ALA 1.899 1.907 1.900 4 1 5 69 69 ARG 1.904 1.735 1.798 4 7 11 70 70 VAL 1.908 1.324 1.683 4 3 7 71 71 GLN 2.513 2.543 2.530 4 5 9 72 72 GLY 2.794 .000 2.794 4 0 4 73 73 GLN 2.660 2.818 2.749 4 5 9 74 74 ARG 2.272 2.170 2.208 4 7 11 75 75 PRO 1.924 1.477 1.747 4 3 7 76 76 GLY 1.558 .000 1.558 4 0 4 77 77 SER 1.203 1.640 1.365 4 2 6 78 78 PRO .997 .856 .939 4 3 7 79 79 GLU 1.312 1.721 1.552 4 5 9 80 80 GLU 1.549 2.130 1.894 4 5 9 81 81 ALA 1.395 1.311 1.379 4 1 5 82 82 ALA 1.239 1.237 1.238 4 1 5 83 83 ALA 1.484 1.487 1.485 4 1 5 84 84 LEU 1.498 1.377 1.439 4 4 8 85 85 VAL 1.257 1.264 1.260 4 3 7 86 86 ASP 1.174 1.404 1.294 4 4 8 87 87 GLY 1.440 .000 1.440 4 0 4 88 88 LEU 1.353 1.684 1.527 4 4 8 89 89 ARG 1.362 1.664 1.561 4 7 11 90 90 ARG 2.581 4.381 3.826 4 7 11 91 91 GLU 5.832 9.103 7.820 4 5 9 92 92 PRO 8.596 6.599 7.803 4 3 7 93 93 GLY 12.727 .000 12.727 4 0 4 94 94 GLY 13.241 .000 13.241 4 0 4 95 301 GLY 4.931 .000 4.931 4 0 4 96 302 SER 3.087 3.652 3.286 4 2 6 97 303 ASP .921 2.644 1.980 4 4 8 98 304 PRO .807 .933 .863 4 3 7 99 305 GLY 1.098 .000 1.098 4 0 4 100 306 PRO .716 .940 .819 4 3 7 101 307 GLU .665 2.051 1.591 4 5 9 102 308 ALA .747 .847 .768 4 1 5 103 309 ALA .496 .497 .496 4 1 5 104 310 ARG .411 1.159 .957 4 7 11 105 311 LEU .570 .990 .808 4 4 8 106 312 ARG .434 .556 .515 4 7 11 107 313 PHE .415 .862 .732 4 7 11 108 314 ARG .522 .662 .615 4 7 11 109 315 CYS .647 .854 .722 4 2 6 110 316 PHE .545 .813 .727 4 7 11 111 317 HIS .602 1.146 .966 4 6 10 112 318 TYR .726 1.109 .998 4 8 12 113 319 GLU .551 1.045 .861 4 5 9 114 320 GLU .852 1.942 1.555 4 5 9 115 321 ALA .742 .663 .727 4 1 5 116 322 THR .636 .425 .555 4 3 7 117 323 GLY .763 .000 .763 4 0 4 118 324 PRO .871 1.102 .977 4 3 7 119 325 GLN 1.101 1.551 1.369 4 5 9 120 326 GLU .886 1.049 .980 4 5 9 121 327 ALA .586 .562 .582 4 1 5 122 328 LEU .619 .760 .693 4 4 8 123 329 ALA .607 .849 .663 4 1 5 124 330 GLN .412 1.028 .814 4 5 9 125 331 LEU .178 .399 .309 4 4 8 126 332 ARG .342 1.966 1.582 4 7 11 127 333 GLU .409 1.087 .855 4 5 9 128 334 LEU .285 .279 .282 4 4 8 129 335 CYS .286 .792 .513 4 2 6 130 336 ARG .464 2.128 1.720 4 7 11 131 337 GLN .542 1.586 1.236 4 5 9 132 338 TRP .469 .337 .380 4 10 14 133 339 LEU .321 .374 .349 4 4 8 134 340 ARG .368 1.652 1.336 4 7 11 135 341 PRO .548 .729 .632 4 3 7 136 342 GLU .422 1.876 1.426 4 5 9 137 343 VAL .236 .332 .281 4 3 7 138 344 ARG .283 .691 .577 4 7 11 139 345 SER .206 .399 .285 4 2 6 140 346 LYS .121 1.331 .995 4 5 9 141 347 GLU .332 1.551 1.177 4 5 9 142 348 GLN .264 1.631 1.228 4 5 9 143 349 MET .171 .269 .225 4 4 8 144 350 LEU .131 .363 .273 4 4 8 145 351 GLU .222 1.173 .886 4 5 9 146 352 LEU .250 .131 .199 4 4 8 147 353 LEU .296 .351 .325 4 4 8 148 354 VAL .454 .354 .414 4 3 7 149 355 LEU .681 1.594 1.226 4 4 8 150 356 GLU .732 .887 .821 4 5 9 151 357 GLN .802 .971 .900 4 5 9 152 358 PHE .893 1.498 1.311 4 7 11 153 359 LEU 1.186 1.559 1.385 4 4 8 154 360 GLY 1.178 .000 1.178 4 0 4 155 361 ALA .851 .627 .811 4 1 5 156 362 LEU 1.086 1.156 1.122 4 4 8 157 363 PRO 1.209 .923 1.096 4 3 7 158 364 PRO 1.522 1.512 1.518 4 3 7 159 365 GLU 1.704 1.655 1.677 4 5 9 160 366 ILE 1.508 1.208 1.366 4 4 8 161 367 GLN 1.543 1.383 1.456 4 5 9 162 368 ALA 1.907 1.940 1.914 4 1 5 163 369 ARG 1.947 2.264 2.154 4 7 11 164 370 VAL 1.972 1.463 1.772 4 3 7 165 371 GLN 2.529 2.194 2.349 4 5 9 166 372 GLY 2.986 .000 2.986 4 0 4 167 373 GLN 3.031 3.915 3.550 4 5 9 168 374 ARG 3.093 3.062 3.073 4 7 11 169 375 PRO 2.998 2.110 2.654 4 3 7 170 376 GLY 2.747 .000 2.747 4 0 4 171 377 SER 1.725 2.425 1.986 4 2 6 172 378 PRO 1.102 .710 .954 4 3 7 173 379 GLU 1.563 1.680 1.629 4 5 9 174 380 GLU 1.904 2.807 2.447 4 5 9 175 381 ALA 1.652 1.522 1.627 4 1 5 176 382 ALA 1.618 1.426 1.581 4 1 5 177 383 ALA 1.878 1.962 1.895 4 1 5 178 384 LEU 1.970 1.980 1.975 4 4 8 179 385 VAL 1.427 1.422 1.425 4 3 7 180 386 ASP 1.409 1.910 1.678 4 4 8 181 387 GLY 1.736 .000 1.736 4 0 4 182 388 LEU 1.650 1.896 1.777 4 4 8 183 389 ARG 2.055 2.544 2.378 4 7 11 184 390 ARG 2.411 5.536 4.649 4 7 11 185 391 GLU 5.572 8.455 7.315 4 5 9 186 392 PRO 8.688 7.391 8.157 4 3 7 187 393 GLY 12.162 .000 12.162 4 0 4 188 394 GLY 13.564 .000 13.564 3 0 3 ENDMDL Model RMS deviations: 2.4650 2.0463 2.2692 751 724 1475 MODEL 8 1 1 GLY 3.788 .000 3.788 4 0 4 2 2 SER 5.179 8.114 6.311 4 2 6 3 3 ASP 3.348 2.373 2.902 4 4 8 4 4 PRO 1.278 2.632 1.975 4 3 7 5 5 GLY .387 .000 .387 4 0 4 6 6 PRO .737 .902 .812 4 3 7 7 7 GLU 1.121 3.008 2.364 4 5 9 8 8 ALA 1.005 1.143 1.034 4 1 5 9 9 ALA .907 .897 .905 4 1 5 10 10 ARG .984 1.188 1.118 4 7 11 11 11 LEU 1.287 1.259 1.273 4 4 8 12 12 ARG 1.173 1.380 1.309 4 7 11 13 13 PHE .982 1.093 1.054 4 7 11 14 14 ARG 1.154 1.365 1.292 4 7 11 15 15 CYS 1.184 1.119 1.163 4 2 6 16 16 PHE 1.156 1.350 1.283 4 7 11 17 17 HIS 1.072 1.487 1.337 4 6 10 18 18 TYR .965 1.009 .994 4 8 12 19 19 GLU 1.154 1.756 1.518 4 5 9 20 20 GLU 1.310 2.101 1.793 4 5 9 21 21 ALA 1.840 1.893 1.851 4 1 5 22 22 THR 1.683 1.600 1.648 4 3 7 23 23 GLY 1.385 .000 1.385 4 0 4 24 24 PRO 1.170 1.185 1.177 4 3 7 25 25 GLN 1.392 2.453 2.050 4 5 9 26 26 GLU 1.436 1.876 1.695 4 5 9 27 27 ALA 1.122 1.098 1.117 4 1 5 28 28 LEU .868 .829 .849 4 4 8 29 29 ALA .963 1.154 1.004 4 1 5 30 30 GLN 1.020 1.705 1.441 4 5 9 31 31 LEU .747 .683 .716 4 4 8 32 32 ARG .635 1.642 1.365 4 7 11 33 33 GLU .744 1.408 1.161 4 5 9 34 34 LEU .795 1.022 .915 4 4 8 35 35 CYS .571 .966 .727 4 2 6 36 36 ARG .584 .793 .724 4 7 11 37 37 GLN .861 1.257 1.099 4 5 9 38 38 TRP .825 .799 .806 4 10 14 39 39 LEU .723 .723 .723 4 4 8 40 40 ARG .749 .906 .852 4 7 11 41 41 PRO .754 .462 .645 4 3 7 42 42 GLU 1.032 1.033 1.032 4 5 9 43 43 VAL .778 1.791 1.312 4 3 7 44 44 ARG .854 .777 .806 4 7 11 45 45 SER .876 .877 .876 4 2 6 46 46 LYS .794 .900 .855 4 5 9 47 47 GLU 1.124 3.398 2.641 4 5 9 48 48 GLN 1.069 1.861 1.559 4 5 9 49 49 MET .710 .599 .656 4 4 8 50 50 LEU .621 .782 .706 4 4 8 51 51 GLU .758 1.204 1.030 4 5 9 52 52 LEU .733 .904 .823 4 4 8 53 53 LEU .507 .436 .473 4 4 8 54 54 VAL .478 .524 .498 4 3 7 55 55 LEU .528 1.050 .831 4 4 8 56 56 GLU .588 1.011 .850 4 5 9 57 57 GLN .373 .820 .660 4 5 9 58 58 PHE .270 .768 .634 4 7 11 59 59 LEU .394 1.122 .841 4 4 8 60 60 GLY .465 .000 .465 4 0 4 61 61 ALA .434 .403 .428 4 1 5 62 62 LEU .550 .390 .477 4 4 8 63 63 PRO .556 .638 .593 4 3 7 64 64 PRO .674 1.070 .867 4 3 7 65 65 GLU .368 .754 .613 4 5 9 66 66 ILE .335 .425 .383 4 4 8 67 67 GLN .475 .597 .546 4 5 9 68 68 ALA .530 .608 .546 4 1 5 69 69 ARG .504 .455 .473 4 7 11 70 70 VAL .668 .704 .683 4 3 7 71 71 GLN 1.115 1.043 1.075 4 5 9 72 72 GLY 1.761 .000 1.761 4 0 4 73 73 GLN 1.684 1.784 1.740 4 5 9 74 74 ARG 1.521 2.111 1.918 4 7 11 75 75 PRO .967 .869 .926 4 3 7 76 76 GLY 1.169 .000 1.169 4 0 4 77 77 SER .894 1.187 1.001 4 2 6 78 78 PRO .602 .764 .676 4 3 7 79 79 GLU .622 1.210 .993 4 5 9 80 80 GLU .672 .917 .817 4 5 9 81 81 ALA .587 .540 .578 4 1 5 82 82 ALA .601 .639 .609 4 1 5 83 83 ALA .571 .472 .553 4 1 5 84 84 LEU .564 .566 .565 4 4 8 85 85 VAL .549 .584 .564 4 3 7 86 86 ASP .507 1.054 .827 4 4 8 87 87 GLY .680 .000 .680 4 0 4 88 88 LEU .823 .814 .818 4 4 8 89 89 ARG 1.323 .832 1.038 4 7 11 90 90 ARG 1.344 4.350 3.564 4 7 11 91 91 GLU 5.393 7.147 6.427 4 5 9 92 92 PRO 8.542 6.706 7.808 4 3 7 93 93 GLY 12.743 .000 12.743 4 0 4 94 94 GLY 14.964 .000 14.964 4 0 4 95 301 GLY 5.071 .000 5.071 4 0 4 96 302 SER 4.927 6.523 5.511 4 2 6 97 303 ASP 2.737 1.562 2.228 4 4 8 98 304 PRO 1.014 1.652 1.326 4 3 7 99 305 GLY .404 .000 .404 4 0 4 100 306 PRO .673 .667 .670 4 3 7 101 307 GLU 1.251 3.485 2.728 4 5 9 102 308 ALA 1.217 1.379 1.251 4 1 5 103 309 ALA .824 .612 .786 4 1 5 104 310 ARG .757 .913 .859 4 7 11 105 311 LEU .765 .845 .806 4 4 8 106 312 ARG .724 .574 .633 4 7 11 107 313 PHE .587 .956 .841 4 7 11 108 314 ARG .311 1.059 .865 4 7 11 109 315 CYS .411 .972 .654 4 2 6 110 316 PHE .475 1.116 .935 4 7 11 111 317 HIS .508 1.043 .869 4 6 10 112 318 TYR .464 .720 .646 4 8 12 113 319 GLU .487 1.081 .869 4 5 9 114 320 GLU .517 1.486 1.160 4 5 9 115 321 ALA .487 .523 .494 4 1 5 116 322 THR .589 .674 .627 4 3 7 117 323 GLY .463 .000 .463 4 0 4 118 324 PRO .448 .608 .523 4 3 7 119 325 GLN .681 2.209 1.708 4 5 9 120 326 GLU .682 .979 .859 4 5 9 121 327 ALA .486 .422 .474 4 1 5 122 328 LEU .425 .365 .396 4 4 8 123 329 ALA .646 .726 .663 4 1 5 124 330 GLN .636 1.227 1.008 4 5 9 125 331 LEU .446 .359 .405 4 4 8 126 332 ARG .609 1.686 1.394 4 7 11 127 333 GLU .709 1.443 1.175 4 5 9 128 334 LEU .578 .719 .652 4 4 8 129 335 CYS .323 .848 .556 4 2 6 130 336 ARG .463 1.824 1.481 4 7 11 131 337 GLN .553 1.030 .852 4 5 9 132 338 TRP .333 .494 .454 4 10 14 133 339 LEU .173 .651 .477 4 4 8 134 340 ARG .387 1.334 1.090 4 7 11 135 341 PRO .662 .624 .646 4 3 7 136 342 GLU .960 3.015 2.336 4 5 9 137 343 VAL .741 .903 .815 4 3 7 138 344 ARG .658 .780 .738 4 7 11 139 345 SER .462 .690 .549 4 2 6 140 346 LYS .413 2.037 1.543 4 5 9 141 347 GLU .374 1.694 1.287 4 5 9 142 348 GLN .348 2.026 1.528 4 5 9 143 349 MET .368 .415 .393 4 4 8 144 350 LEU .352 .367 .359 4 4 8 145 351 GLU .353 1.826 1.381 4 5 9 146 352 LEU .331 .320 .325 4 4 8 147 353 LEU .403 .566 .492 4 4 8 148 354 VAL .419 .567 .488 4 3 7 149 355 LEU .489 1.343 1.011 4 4 8 150 356 GLU .497 .847 .713 4 5 9 151 357 GLN .452 .944 .765 4 5 9 152 358 PHE .368 .925 .770 4 7 11 153 359 LEU .583 1.396 1.070 4 4 8 154 360 GLY .753 .000 .753 4 0 4 155 361 ALA .716 .577 .691 4 1 5 156 362 LEU .664 .470 .575 4 4 8 157 363 PRO .872 .855 .865 4 3 7 158 364 PRO 1.258 1.620 1.424 4 3 7 159 365 GLU .965 .872 .914 4 5 9 160 366 ILE .651 .426 .550 4 4 8 161 367 GLN .981 1.106 1.052 4 5 9 162 368 ALA 1.263 1.377 1.287 4 1 5 163 369 ARG 1.139 .933 1.013 4 7 11 164 370 VAL 1.281 .946 1.149 4 3 7 165 371 GLN 1.791 1.572 1.673 4 5 9 166 372 GLY 2.069 .000 2.069 4 0 4 167 373 GLN 2.256 1.707 1.970 4 5 9 168 374 ARG 2.057 1.924 1.974 4 7 11 169 375 PRO 1.895 1.466 1.724 4 3 7 170 376 GLY 1.567 .000 1.567 4 0 4 171 377 SER 1.184 1.841 1.437 4 2 6 172 378 PRO .833 .718 .786 4 3 7 173 379 GLU 1.357 1.691 1.551 4 5 9 174 380 GLU 1.463 2.271 1.953 4 5 9 175 381 ALA 1.090 .917 1.058 4 1 5 176 382 ALA 1.078 1.061 1.074 4 1 5 177 383 ALA 1.249 1.211 1.241 4 1 5 178 384 LEU 1.190 1.201 1.195 4 4 8 179 385 VAL 1.006 .890 .958 4 3 7 180 386 ASP 1.207 1.183 1.195 4 4 8 181 387 GLY 1.441 .000 1.441 4 0 4 182 388 LEU .993 .729 .871 4 4 8 183 389 ARG 1.868 1.169 1.462 4 7 11 184 390 ARG 1.425 4.257 3.503 4 7 11 185 391 GLU 5.324 6.460 5.981 4 5 9 186 392 PRO 8.937 7.820 8.477 4 3 7 187 393 GLY 12.088 .000 12.088 4 0 4 188 394 GLY 15.019 .000 15.019 3 0 3 ENDMDL Model RMS deviations: 2.4996 1.8419 2.2014 751 724 1475 MODEL 9 1 1 GLY 3.367 .000 3.367 4 0 4 2 2 SER 2.037 2.652 2.261 4 2 6 3 3 ASP 1.304 1.180 1.243 4 4 8 4 4 PRO .738 1.199 .963 4 3 7 5 5 GLY .700 .000 .700 4 0 4 6 6 PRO .778 1.002 .881 4 3 7 7 7 GLU .706 1.499 1.212 4 5 9 8 8 ALA .749 .778 .755 4 1 5 9 9 ALA .582 .528 .572 4 1 5 10 10 ARG .563 1.885 1.542 4 7 11 11 11 LEU .786 1.127 .971 4 4 8 12 12 ARG .610 1.554 1.293 4 7 11 13 13 PHE .403 .945 .792 4 7 11 14 14 ARG .536 .698 .644 4 7 11 15 15 CYS .608 1.093 .803 4 2 6 16 16 PHE .364 .887 .741 4 7 11 17 17 HIS .314 .604 .508 4 6 10 18 18 TYR .395 1.134 .953 4 8 12 19 19 GLU .435 1.003 .802 4 5 9 20 20 GLU .262 .857 .662 4 5 9 21 21 ALA .609 .567 .601 4 1 5 22 22 THR .463 1.472 1.025 4 3 7 23 23 GLY .349 .000 .349 4 0 4 24 24 PRO .215 .342 .277 4 3 7 25 25 GLN .327 1.382 1.053 4 5 9 26 26 GLU .381 .740 .607 4 5 9 27 27 ALA .320 .353 .327 4 1 5 28 28 LEU .319 .198 .266 4 4 8 29 29 ALA .402 .371 .396 4 1 5 30 30 GLN .382 1.644 1.252 4 5 9 31 31 LEU .323 .301 .312 4 4 8 32 32 ARG .463 .986 .835 4 7 11 33 33 GLU .505 .941 .778 4 5 9 34 34 LEU .348 .509 .436 4 4 8 35 35 CYS .115 .911 .535 4 2 6 36 36 ARG .302 1.213 .984 4 7 11 37 37 GLN .295 1.808 1.362 4 5 9 38 38 TRP .234 .204 .213 4 10 14 39 39 LEU .377 .474 .428 4 4 8 40 40 ARG .179 .778 .630 4 7 11 41 41 PRO .455 .440 .449 4 3 7 42 42 GLU .703 1.983 1.551 4 5 9 43 43 VAL .547 .757 .646 4 3 7 44 44 ARG .341 .543 .479 4 7 11 45 45 SER .300 .449 .357 4 2 6 46 46 LYS .261 1.301 .985 4 5 9 47 47 GLU .258 2.183 1.636 4 5 9 48 48 GLN .283 1.071 .820 4 5 9 49 49 MET .230 .256 .243 4 4 8 50 50 LEU .221 .484 .376 4 4 8 51 51 GLU .320 2.136 1.606 4 5 9 52 52 LEU .232 .128 .187 4 4 8 53 53 LEU .270 .296 .283 4 4 8 54 54 VAL .299 .291 .296 4 3 7 55 55 LEU .424 1.181 .887 4 4 8 56 56 GLU .461 1.133 .899 4 5 9 57 57 GLN .353 1.039 .809 4 5 9 58 58 PHE .403 1.154 .952 4 7 11 59 59 LEU .540 1.258 .968 4 4 8 60 60 GLY .549 .000 .549 4 0 4 61 61 ALA .451 .350 .433 4 1 5 62 62 LEU .532 .593 .563 4 4 8 63 63 PRO .639 .698 .665 4 3 7 64 64 PRO .732 .600 .678 4 3 7 65 65 GLU .889 1.263 1.112 4 5 9 66 66 ILE .812 .778 .795 4 4 8 67 67 GLN .768 .694 .727 4 5 9 68 68 ALA .819 .823 .820 4 1 5 69 69 ARG .877 1.682 1.442 4 7 11 70 70 VAL .977 1.128 1.045 4 3 7 71 71 GLN .990 .611 .802 4 5 9 72 72 GLY .986 .000 .986 4 0 4 73 73 GLN .790 1.198 1.037 4 5 9 74 74 ARG .764 2.725 2.222 4 7 11 75 75 PRO .629 .491 .574 4 3 7 76 76 GLY 1.131 .000 1.131 4 0 4 77 77 SER .622 .752 .668 4 2 6 78 78 PRO .528 .752 .634 4 3 7 79 79 GLU .312 .678 .546 4 5 9 80 80 GLU .518 .816 .699 4 5 9 81 81 ALA .627 .661 .634 4 1 5 82 82 ALA .522 .441 .506 4 1 5 83 83 ALA .547 .590 .556 4 1 5 84 84 LEU .507 .852 .701 4 4 8 85 85 VAL .689 .759 .720 4 3 7 86 86 ASP .658 .976 .832 4 4 8 87 87 GLY .696 .000 .696 4 0 4 88 88 LEU 1.126 .990 1.060 4 4 8 89 89 ARG 1.251 1.080 1.145 4 7 11 90 90 ARG 2.163 6.484 5.334 4 7 11 91 91 GLU 3.683 5.776 4.956 4 5 9 92 92 PRO 6.000 6.878 6.391 4 3 7 93 93 GLY 7.453 .000 7.453 4 0 4 94 94 GLY 9.448 .000 9.448 4 0 4 95 301 GLY 3.313 .000 3.313 4 0 4 96 302 SER 1.520 3.072 2.165 4 2 6 97 303 ASP 1.242 1.586 1.425 4 4 8 98 304 PRO 1.368 1.750 1.543 4 3 7 99 305 GLY .966 .000 .966 4 0 4 100 306 PRO 1.092 .953 1.035 4 3 7 101 307 GLU .466 1.802 1.378 4 5 9 102 308 ALA .194 .204 .196 4 1 5 103 309 ALA .211 .206 .210 4 1 5 104 310 ARG .268 2.318 1.856 4 7 11 105 311 LEU .373 .316 .346 4 4 8 106 312 ARG .455 .717 .635 4 7 11 107 313 PHE .291 1.009 .824 4 7 11 108 314 ARG .670 1.435 1.214 4 7 11 109 315 CYS .861 2.112 1.407 4 2 6 110 316 PHE .487 1.175 .982 4 7 11 111 317 HIS .358 .884 .721 4 6 10 112 318 TYR .438 1.126 .954 4 8 12 113 319 GLU .613 1.017 .861 4 5 9 114 320 GLU .565 .967 .813 4 5 9 115 321 ALA .535 .570 .542 4 1 5 116 322 THR .616 .674 .641 4 3 7 117 323 GLY .584 .000 .584 4 0 4 118 324 PRO .509 .598 .549 4 3 7 119 325 GLN .430 1.753 1.337 4 5 9 120 326 GLU .390 .720 .597 4 5 9 121 327 ALA .357 .519 .395 4 1 5 122 328 LEU .234 .338 .291 4 4 8 123 329 ALA .230 .230 .230 4 1 5 124 330 GLN .232 1.113 .844 4 5 9 125 331 LEU .113 .047 .087 4 4 8 126 332 ARG .129 .780 .627 4 7 11 127 333 GLU .261 .990 .758 4 5 9 128 334 LEU .176 .310 .252 4 4 8 129 335 CYS .081 1.002 .582 4 2 6 130 336 ARG .206 1.352 1.085 4 7 11 131 337 GLN .160 1.020 .768 4 5 9 132 338 TRP .114 .108 .110 4 10 14 133 339 LEU .243 .430 .349 4 4 8 134 340 ARG .293 1.239 1.004 4 7 11 135 341 PRO .704 .664 .687 4 3 7 136 342 GLU 1.212 2.306 1.899 4 5 9 137 343 VAL 1.202 1.337 1.262 4 3 7 138 344 ARG .935 1.094 1.039 4 7 11 139 345 SER .695 1.004 .811 4 2 6 140 346 LYS .353 1.672 1.268 4 5 9 141 347 GLU .539 2.591 1.964 4 5 9 142 348 GLN .532 1.503 1.175 4 5 9 143 349 MET .310 .409 .363 4 4 8 144 350 LEU .189 .394 .309 4 4 8 145 351 GLU .177 1.671 1.251 4 5 9 146 352 LEU .207 .216 .211 4 4 8 147 353 LEU .176 .276 .231 4 4 8 148 354 VAL .166 .280 .222 4 3 7 149 355 LEU .284 .863 .643 4 4 8 150 356 GLU .254 2.061 1.545 4 5 9 151 357 GLN .241 1.006 .767 4 5 9 152 358 PHE .281 .663 .555 4 7 11 153 359 LEU .511 1.280 .974 4 4 8 154 360 GLY .592 .000 .592 4 0 4 155 361 ALA .502 .351 .475 4 1 5 156 362 LEU .550 .534 .542 4 4 8 157 363 PRO .708 .778 .739 4 3 7 158 364 PRO .807 .803 .805 4 3 7 159 365 GLU .893 1.285 1.128 4 5 9 160 366 ILE .772 .747 .760 4 4 8 161 367 GLN .748 .633 .687 4 5 9 162 368 ALA .751 .810 .763 4 1 5 163 369 ARG .616 1.601 1.330 4 7 11 164 370 VAL .701 .837 .762 4 3 7 165 371 GLN 1.097 1.160 1.132 4 5 9 166 372 GLY 1.013 .000 1.013 4 0 4 167 373 GLN .783 .948 .878 4 5 9 168 374 ARG .914 2.697 2.221 4 7 11 169 375 PRO .749 .255 .590 4 3 7 170 376 GLY 1.085 .000 1.085 4 0 4 171 377 SER .394 .911 .616 4 2 6 172 378 PRO .226 .154 .198 4 3 7 173 379 GLU .262 1.695 1.275 4 5 9 174 380 GLU .223 .718 .556 4 5 9 175 381 ALA .222 .306 .241 4 1 5 176 382 ALA .188 .303 .216 4 1 5 177 383 ALA .144 .204 .158 4 1 5 178 384 LEU .332 .838 .637 4 4 8 179 385 VAL .398 1.585 1.081 4 3 7 180 386 ASP .317 .909 .681 4 4 8 181 387 GLY .182 .000 .182 4 0 4 182 388 LEU .593 .579 .586 4 4 8 183 389 ARG .802 .891 .860 4 7 11 184 390 ARG 1.890 6.792 5.537 4 7 11 185 391 GLU 3.856 4.714 4.354 4 5 9 186 392 PRO 6.117 6.068 6.096 4 3 7 187 393 GLY 8.515 .000 8.515 4 0 4 188 394 GLY 9.600 .000 9.600 3 0 3 ENDMDL Model RMS deviations: 1.6085 1.7172 1.6627 751 724 1475 MODEL 10 1 1 GLY 2.155 .000 2.155 4 0 4 2 2 SER 2.195 2.448 2.283 4 2 6 3 3 ASP 2.209 1.809 2.019 4 4 8 4 4 PRO 2.008 1.977 1.995 4 3 7 5 5 GLY 1.639 .000 1.639 4 0 4 6 6 PRO 1.560 1.912 1.720 4 3 7 7 7 GLU 1.231 2.288 1.892 4 5 9 8 8 ALA .993 .905 .976 4 1 5 9 9 ALA .889 .948 .901 4 1 5 10 10 ARG .682 1.158 1.011 4 7 11 11 11 LEU .635 .960 .814 4 4 8 12 12 ARG .585 .988 .863 4 7 11 13 13 PHE .436 .999 .839 4 7 11 14 14 ARG .842 .957 .917 4 7 11 15 15 CYS .754 1.920 1.268 4 2 6 16 16 PHE .410 .830 .707 4 7 11 17 17 HIS .256 .934 .742 4 6 10 18 18 TYR .306 .782 .663 4 8 12 19 19 GLU .228 1.117 .846 4 5 9 20 20 GLU .434 1.134 .893 4 5 9 21 21 ALA .292 .270 .288 4 1 5 22 22 THR .555 1.235 .911 4 3 7 23 23 GLY .813 .000 .813 4 0 4 24 24 PRO .529 .493 .514 4 3 7 25 25 GLN .520 .968 .800 4 5 9 26 26 GLU .397 .893 .716 4 5 9 27 27 ALA .349 .392 .358 4 1 5 28 28 LEU .479 .493 .486 4 4 8 29 29 ALA .693 .754 .706 4 1 5 30 30 GLN .647 1.137 .951 4 5 9 31 31 LEU .538 .297 .435 4 4 8 32 32 ARG .642 1.158 1.002 4 7 11 33 33 GLU .828 1.430 1.200 4 5 9 34 34 LEU .782 .882 .834 4 4 8 35 35 CYS .599 .742 .650 4 2 6 36 36 ARG .620 .771 .720 4 7 11 37 37 GLN .786 1.847 1.473 4 5 9 38 38 TRP .802 .704 .733 4 10 14 39 39 LEU .425 .674 .563 4 4 8 40 40 ARG .339 1.113 .911 4 7 11 41 41 PRO .428 .301 .379 4 3 7 42 42 GLU .520 2.675 2.024 4 5 9 43 43 VAL .504 .748 .620 4 3 7 44 44 ARG .264 .689 .572 4 7 11 45 45 SER .268 .410 .322 4 2 6 46 46 LYS .233 .591 .467 4 5 9 47 47 GLU .286 2.390 1.792 4 5 9 48 48 GLN .283 1.712 1.290 4 5 9 49 49 MET .241 .161 .205 4 4 8 50 50 LEU .379 .614 .510 4 4 8 51 51 GLU .486 2.084 1.587 4 5 9 52 52 LEU .335 .435 .389 4 4 8 53 53 LEU .329 .257 .295 4 4 8 54 54 VAL .441 .384 .417 4 3 7 55 55 LEU .445 .945 .738 4 4 8 56 56 GLU .301 1.114 .854 4 5 9 57 57 GLN .228 .998 .760 4 5 9 58 58 PHE .163 .752 .608 4 7 11 59 59 LEU .156 1.076 .768 4 4 8 60 60 GLY .204 .000 .204 4 0 4 61 61 ALA .243 .252 .245 4 1 5 62 62 LEU .150 .114 .134 4 4 8 63 63 PRO .171 .267 .217 4 3 7 64 64 PRO .192 .105 .161 4 3 7 65 65 GLU .388 3.112 2.334 4 5 9 66 66 ILE .374 .396 .385 4 4 8 67 67 GLN .262 .194 .227 4 5 9 68 68 ALA .309 .350 .317 4 1 5 69 69 ARG .335 1.048 .860 4 7 11 70 70 VAL .361 .321 .345 4 3 7 71 71 GLN .357 1.047 .816 4 5 9 72 72 GLY .606 .000 .606 4 0 4 73 73 GLN .748 1.888 1.493 4 5 9 74 74 ARG .801 1.230 1.094 4 7 11 75 75 PRO .895 .556 .768 4 3 7 76 76 GLY 1.059 .000 1.059 4 0 4 77 77 SER .722 .711 .718 4 2 6 78 78 PRO .527 .645 .580 4 3 7 79 79 GLU .422 2.033 1.541 4 5 9 80 80 GLU .526 .965 .800 4 5 9 81 81 ALA .421 .378 .413 4 1 5 82 82 ALA .365 .369 .366 4 1 5 83 83 ALA .344 .433 .363 4 1 5 84 84 LEU .239 .769 .569 4 4 8 85 85 VAL .439 .431 .435 4 3 7 86 86 ASP .368 1.094 .816 4 4 8 87 87 GLY .696 .000 .696 4 0 4 88 88 LEU 1.034 1.765 1.447 4 4 8 89 89 ARG .721 1.259 1.094 4 7 11 90 90 ARG 2.823 5.535 4.732 4 7 11 91 91 GLU 3.445 5.279 4.556 4 5 9 92 92 PRO 5.597 6.867 6.173 4 3 7 93 93 GLY 4.813 .000 4.813 4 0 4 94 94 GLY 4.117 .000 4.117 4 0 4 95 301 GLY 3.199 .000 3.199 4 0 4 96 302 SER 2.609 1.803 2.371 4 2 6 97 303 ASP 2.219 1.697 1.975 4 4 8 98 304 PRO 1.547 1.569 1.556 4 3 7 99 305 GLY 1.032 .000 1.032 4 0 4 100 306 PRO .649 .892 .762 4 3 7 101 307 GLU .647 1.218 1.005 4 5 9 102 308 ALA .452 .674 .504 4 1 5 103 309 ALA .323 .303 .319 4 1 5 104 310 ARG .296 .545 .470 4 7 11 105 311 LEU .282 .347 .316 4 4 8 106 312 ARG .425 .929 .784 4 7 11 107 313 PHE .458 .942 .800 4 7 11 108 314 ARG 1.092 1.065 1.075 4 7 11 109 315 CYS 1.124 2.508 1.715 4 2 6 110 316 PHE .641 1.110 .966 4 7 11 111 317 HIS .518 1.039 .869 4 6 10 112 318 TYR .384 1.031 .870 4 8 12 113 319 GLU .442 .905 .736 4 5 9 114 320 GLU .783 1.032 .930 4 5 9 115 321 ALA 1.165 1.333 1.201 4 1 5 116 322 THR .690 .672 .682 4 3 7 117 323 GLY .503 .000 .503 4 0 4 118 324 PRO .273 .482 .377 4 3 7 119 325 GLN .291 1.208 .921 4 5 9 120 326 GLU .244 .923 .707 4 5 9 121 327 ALA .172 .255 .191 4 1 5 122 328 LEU .258 .270 .264 4 4 8 123 329 ALA .309 .295 .307 4 1 5 124 330 GLN .277 .955 .736 4 5 9 125 331 LEU .287 .249 .269 4 4 8 126 332 ARG .464 .865 .744 4 7 11 127 333 GLU .593 1.010 .850 4 5 9 128 334 LEU .393 .542 .473 4 4 8 129 335 CYS .281 .828 .530 4 2 6 130 336 ARG .316 4.813 3.844 4 7 11 131 337 GLN .243 1.677 1.260 4 5 9 132 338 TRP .409 .167 .260 4 10 14 133 339 LEU .439 .639 .548 4 4 8 134 340 ARG .381 1.339 1.093 4 7 11 135 341 PRO .386 .749 .571 4 3 7 136 342 GLU .519 2.993 2.258 4 5 9 137 343 VAL .564 .699 .626 4 3 7 138 344 ARG .461 1.029 .867 4 7 11 139 345 SER .256 .421 .321 4 2 6 140 346 LYS .406 .559 .497 4 5 9 141 347 GLU .516 1.358 1.069 4 5 9 142 348 GLN .331 2.100 1.581 4 5 9 143 349 MET .183 .286 .240 4 4 8 144 350 LEU .197 .393 .311 4 4 8 145 351 GLU .169 1.599 1.197 4 5 9 146 352 LEU .122 .133 .128 4 4 8 147 353 LEU .136 .201 .172 4 4 8 148 354 VAL .139 .309 .228 4 3 7 149 355 LEU .182 1.050 .754 4 4 8 150 356 GLU .253 .747 .582 4 5 9 151 357 GLN .252 .981 .750 4 5 9 152 358 PHE .292 1.201 .974 4 7 11 153 359 LEU .231 1.528 1.093 4 4 8 154 360 GLY .266 .000 .266 4 0 4 155 361 ALA .281 .173 .263 4 1 5 156 362 LEU .345 .308 .327 4 4 8 157 363 PRO .482 .477 .480 4 3 7 158 364 PRO .534 .725 .623 4 3 7 159 365 GLU .584 3.031 2.293 4 5 9 160 366 ILE .514 .555 .535 4 4 8 161 367 GLN .399 .217 .312 4 5 9 162 368 ALA .684 .745 .697 4 1 5 163 369 ARG .840 1.269 1.132 4 7 11 164 370 VAL .714 .560 .653 4 3 7 165 371 GLN .762 .630 .691 4 5 9 166 372 GLY 1.022 .000 1.022 4 0 4 167 373 GLN 1.069 2.522 2.010 4 5 9 168 374 ARG .993 1.556 1.378 4 7 11 169 375 PRO .916 .879 .900 4 3 7 170 376 GLY .955 .000 .955 4 0 4 171 377 SER .882 1.243 1.017 4 2 6 172 378 PRO .718 .676 .701 4 3 7 173 379 GLU .821 1.062 .963 4 5 9 174 380 GLU .913 1.251 1.114 4 5 9 175 381 ALA .794 .757 .787 4 1 5 176 382 ALA .738 .661 .724 4 1 5 177 383 ALA .805 .857 .815 4 1 5 178 384 LEU .864 .950 .908 4 4 8 179 385 VAL .761 .836 .794 4 3 7 180 386 ASP .473 .991 .776 4 4 8 181 387 GLY .553 .000 .553 4 0 4 182 388 LEU .951 1.853 1.473 4 4 8 183 389 ARG .502 1.266 1.054 4 7 11 184 390 ARG 3.478 6.115 5.310 4 7 11 185 391 GLU 3.555 5.916 5.006 4 5 9 186 392 PRO 5.261 6.662 5.902 4 3 7 187 393 GLY 4.427 .000 4.427 4 0 4 188 394 GLY 4.016 .000 4.016 3 0 3 ENDMDL Model RMS deviations: 1.2155 1.7476 1.5005 751 724 1475 MODEL 11 1 1 GLY 3.157 .000 3.157 4 0 4 2 2 SER 1.019 2.191 1.514 4 2 6 3 3 ASP .983 1.586 1.319 4 4 8 4 4 PRO .568 .432 .515 4 3 7 5 5 GLY .628 .000 .628 4 0 4 6 6 PRO .590 .712 .645 4 3 7 7 7 GLU .492 1.755 1.349 4 5 9 8 8 ALA .484 .474 .482 4 1 5 9 9 ALA .691 .758 .705 4 1 5 10 10 ARG .728 .782 .763 4 7 11 11 11 LEU .600 .404 .511 4 4 8 12 12 ARG .631 .735 .699 4 7 11 13 13 PHE .605 1.044 .909 4 7 11 14 14 ARG .992 1.078 1.047 4 7 11 15 15 CYS .895 .788 .861 4 2 6 16 16 PHE .600 1.097 .947 4 7 11 17 17 HIS .567 .941 .812 4 6 10 18 18 TYR .562 .973 .858 4 8 12 19 19 GLU .565 .858 .742 4 5 9 20 20 GLU .552 1.104 .901 4 5 9 21 21 ALA .541 .645 .563 4 1 5 22 22 THR .427 .648 .533 4 3 7 23 23 GLY .398 .000 .398 4 0 4 24 24 PRO .330 .419 .371 4 3 7 25 25 GLN .305 .572 .472 4 5 9 26 26 GLU .321 .772 .614 4 5 9 27 27 ALA .323 .274 .314 4 1 5 28 28 LEU .376 .433 .406 4 4 8 29 29 ALA .352 .389 .359 4 1 5 30 30 GLN .425 1.095 .864 4 5 9 31 31 LEU .448 .461 .455 4 4 8 32 32 ARG .474 1.513 1.240 4 7 11 33 33 GLU .496 2.147 1.634 4 5 9 34 34 LEU .503 .586 .546 4 4 8 35 35 CYS .516 .899 .669 4 2 6 36 36 ARG .477 1.018 .862 4 7 11 37 37 GLN .528 .666 .609 4 5 9 38 38 TRP .594 .754 .712 4 10 14 39 39 LEU .390 .757 .602 4 4 8 40 40 ARG .418 1.628 1.323 4 7 11 41 41 PRO .444 .461 .451 4 3 7 42 42 GLU .631 2.384 1.826 4 5 9 43 43 VAL .617 .696 .652 4 3 7 44 44 ARG .455 .685 .612 4 7 11 45 45 SER .356 .587 .446 4 2 6 46 46 LYS .223 .394 .329 4 5 9 47 47 GLU .426 1.807 1.377 4 5 9 48 48 GLN .378 1.597 1.216 4 5 9 49 49 MET .382 .380 .381 4 4 8 50 50 LEU .520 1.528 1.141 4 4 8 51 51 GLU .509 1.336 1.052 4 5 9 52 52 LEU .349 .377 .363 4 4 8 53 53 LEU .442 .551 .499 4 4 8 54 54 VAL .485 .444 .468 4 3 7 55 55 LEU .538 1.189 .923 4 4 8 56 56 GLU .654 1.296 1.060 4 5 9 57 57 GLN .660 .842 .767 4 5 9 58 58 PHE .676 .951 .861 4 7 11 59 59 LEU .755 1.356 1.097 4 4 8 60 60 GLY .682 .000 .682 4 0 4 61 61 ALA .593 .573 .589 4 1 5 62 62 LEU .611 .634 .622 4 4 8 63 63 PRO .624 .781 .696 4 3 7 64 64 PRO .511 .568 .536 4 3 7 65 65 GLU .470 1.040 .836 4 5 9 66 66 ILE .616 .724 .672 4 4 8 67 67 GLN .620 .656 .640 4 5 9 68 68 ALA .634 .596 .626 4 1 5 69 69 ARG .677 .846 .789 4 7 11 70 70 VAL .751 .633 .703 4 3 7 71 71 GLN .925 1.382 1.200 4 5 9 72 72 GLY .956 .000 .956 4 0 4 73 73 GLN .863 .923 .897 4 5 9 74 74 ARG .909 1.629 1.410 4 7 11 75 75 PRO 1.259 1.010 1.159 4 3 7 76 76 GLY 1.250 .000 1.250 4 0 4 77 77 SER .817 1.289 1.000 4 2 6 78 78 PRO .689 .593 .650 4 3 7 79 79 GLU .716 .746 .733 4 5 9 80 80 GLU .810 1.209 1.051 4 5 9 81 81 ALA .855 .839 .852 4 1 5 82 82 ALA .820 .806 .817 4 1 5 83 83 ALA .837 .721 .815 4 1 5 84 84 LEU .975 1.288 1.142 4 4 8 85 85 VAL .610 .614 .611 4 3 7 86 86 ASP .694 .861 .782 4 4 8 87 87 GLY .965 .000 .965 4 0 4 88 88 LEU .409 .819 .647 4 4 8 89 89 ARG 1.283 1.078 1.157 4 7 11 90 90 ARG .875 5.099 4.102 4 7 11 91 91 GLU 2.775 4.406 3.769 4 5 9 92 92 PRO 5.411 5.473 5.438 4 3 7 93 93 GLY 6.282 .000 6.282 4 0 4 94 94 GLY 5.347 .000 5.347 4 0 4 95 301 GLY 3.435 .000 3.435 4 0 4 96 302 SER 2.676 3.224 2.870 4 2 6 97 303 ASP 1.949 1.589 1.778 4 4 8 98 304 PRO 1.150 1.041 1.105 4 3 7 99 305 GLY 1.030 .000 1.030 4 0 4 100 306 PRO .955 1.165 1.050 4 3 7 101 307 GLU .886 1.385 1.190 4 5 9 102 308 ALA .676 .622 .666 4 1 5 103 309 ALA .606 .602 .605 4 1 5 104 310 ARG .639 .820 .759 4 7 11 105 311 LEU .609 .664 .637 4 4 8 106 312 ARG .602 .663 .641 4 7 11 107 313 PHE .559 .978 .850 4 7 11 108 314 ARG .803 .985 .923 4 7 11 109 315 CYS .721 .601 .683 4 2 6 110 316 PHE .594 .861 .774 4 7 11 111 317 HIS .569 .826 .734 4 6 10 112 318 TYR .557 1.138 .983 4 8 12 113 319 GLU .499 .972 .797 4 5 9 114 320 GLU .445 .839 .692 4 5 9 115 321 ALA .735 1.092 .819 4 1 5 116 322 THR .559 .620 .586 4 3 7 117 323 GLY .558 .000 .558 4 0 4 118 324 PRO .537 .574 .553 4 3 7 119 325 GLN .569 1.094 .899 4 5 9 120 326 GLU .499 .758 .656 4 5 9 121 327 ALA .488 .442 .479 4 1 5 122 328 LEU .598 .640 .619 4 4 8 123 329 ALA .641 .699 .653 4 1 5 124 330 GLN .515 1.048 .853 4 5 9 125 331 LEU .539 .530 .534 4 4 8 126 332 ARG .492 1.534 1.259 4 7 11 127 333 GLU .404 2.371 1.787 4 5 9 128 334 LEU .498 .668 .590 4 4 8 129 335 CYS .448 1.022 .694 4 2 6 130 336 ARG .455 .801 .695 4 7 11 131 337 GLN .544 1.906 1.466 4 5 9 132 338 TRP .588 .593 .591 4 10 14 133 339 LEU .348 .301 .325 4 4 8 134 340 ARG .282 1.054 .857 4 7 11 135 341 PRO .288 .368 .325 4 3 7 136 342 GLU .401 3.004 2.255 4 5 9 137 343 VAL .517 .527 .521 4 3 7 138 344 ARG .556 .666 .628 4 7 11 139 345 SER .297 .439 .351 4 2 6 140 346 LYS .284 .609 .491 4 5 9 141 347 GLU .265 1.951 1.465 4 5 9 142 348 GLN .234 1.151 .872 4 5 9 143 349 MET .323 .294 .309 4 4 8 144 350 LEU .460 1.561 1.151 4 4 8 145 351 GLU .449 1.149 .907 4 5 9 146 352 LEU .463 .239 .368 4 4 8 147 353 LEU .442 .741 .610 4 4 8 148 354 VAL .364 .305 .340 4 3 7 149 355 LEU .559 1.051 .842 4 4 8 150 356 GLU .668 1.311 1.074 4 5 9 151 357 GLN .492 .932 .768 4 5 9 152 358 PHE .517 1.253 1.047 4 7 11 153 359 LEU .724 1.334 1.073 4 4 8 154 360 GLY .796 .000 .796 4 0 4 155 361 ALA .682 .569 .661 4 1 5 156 362 LEU .805 .731 .769 4 4 8 157 363 PRO 1.048 1.032 1.041 4 3 7 158 364 PRO 1.242 1.094 1.181 4 3 7 159 365 GLU 1.197 1.402 1.315 4 5 9 160 366 ILE .966 .997 .981 4 4 8 161 367 GLN .848 .866 .858 4 5 9 162 368 ALA .793 .852 .805 4 1 5 163 369 ARG .732 2.165 1.783 4 7 11 164 370 VAL .593 .747 .664 4 3 7 165 371 GLN .581 .751 .681 4 5 9 166 372 GLY .788 .000 .788 4 0 4 167 373 GLN .892 1.144 1.040 4 5 9 168 374 ARG .747 1.375 1.185 4 7 11 169 375 PRO .756 .715 .738 4 3 7 170 376 GLY .996 .000 .996 4 0 4 171 377 SER .820 1.537 1.112 4 2 6 172 378 PRO .572 .548 .562 4 3 7 173 379 GLU .608 .924 .799 4 5 9 174 380 GLU .649 .937 .822 4 5 9 175 381 ALA .598 .590 .597 4 1 5 176 382 ALA .556 .438 .534 4 1 5 177 383 ALA .645 .827 .685 4 1 5 178 384 LEU .684 .975 .842 4 4 8 179 385 VAL .708 .802 .750 4 3 7 180 386 ASP .697 1.004 .864 4 4 8 181 387 GLY .531 .000 .531 4 0 4 182 388 LEU .437 .710 .590 4 4 8 183 389 ARG .831 1.532 1.320 4 7 11 184 390 ARG 1.430 4.233 3.485 4 7 11 185 391 GLU 3.135 5.546 4.632 4 5 9 186 392 PRO 5.451 5.887 5.642 4 3 7 187 393 GLY 6.609 .000 6.609 4 0 4 188 394 GLY 5.157 .000 5.157 3 0 3 ENDMDL Model RMS deviations: 1.3020 1.4944 1.3997 751 724 1475 MODEL 12 1 1 GLY 1.552 .000 1.552 4 0 4 2 2 SER 1.665 2.548 2.003 4 2 6 3 3 ASP 1.302 2.298 1.868 4 4 8 4 4 PRO 1.073 1.313 1.182 4 3 7 5 5 GLY .863 .000 .863 4 0 4 6 6 PRO .798 .992 .886 4 3 7 7 7 GLU .892 1.970 1.584 4 5 9 8 8 ALA .665 .487 .634 4 1 5 9 9 ALA .594 .439 .566 4 1 5 10 10 ARG .905 1.511 1.323 4 7 11 11 11 LEU .793 2.801 2.059 4 4 8 12 12 ARG .739 1.266 1.104 4 7 11 13 13 PHE .565 1.041 .898 4 7 11 14 14 ARG .267 1.754 1.408 4 7 11 15 15 CYS .467 1.548 .971 4 2 6 16 16 PHE .691 1.272 1.097 4 7 11 17 17 HIS .725 1.045 .930 4 6 10 18 18 TYR .729 1.096 .989 4 8 12 19 19 GLU .794 1.094 .972 4 5 9 20 20 GLU .963 .946 .954 4 5 9 21 21 ALA 1.011 1.269 1.068 4 1 5 22 22 THR .724 1.099 .904 4 3 7 23 23 GLY .735 .000 .735 4 0 4 24 24 PRO .832 .789 .814 4 3 7 25 25 GLN .796 1.452 1.205 4 5 9 26 26 GLU .840 1.556 1.288 4 5 9 27 27 ALA .716 .918 .761 4 1 5 28 28 LEU .585 .554 .569 4 4 8 29 29 ALA .593 .658 .607 4 1 5 30 30 GLN .603 1.409 1.124 4 5 9 31 31 LEU .545 .626 .587 4 4 8 32 32 ARG .382 .747 .639 4 7 11 33 33 GLU .500 .823 .698 4 5 9 34 34 LEU .427 .396 .412 4 4 8 35 35 CYS .428 .941 .646 4 2 6 36 36 ARG .399 .520 .480 4 7 11 37 37 GLN .397 1.354 1.043 4 5 9 38 38 TRP .456 .394 .412 4 10 14 39 39 LEU .647 .957 .817 4 4 8 40 40 ARG .469 1.315 1.087 4 7 11 41 41 PRO .380 .393 .385 4 3 7 42 42 GLU .596 1.698 1.326 4 5 9 43 43 VAL .507 .591 .544 4 3 7 44 44 ARG .262 .637 .532 4 7 11 45 45 SER .380 1.292 .808 4 2 6 46 46 LYS .431 1.065 .844 4 5 9 47 47 GLU .561 2.412 1.836 4 5 9 48 48 GLN .477 .749 .643 4 5 9 49 49 MET .474 .296 .395 4 4 8 50 50 LEU .565 1.456 1.105 4 4 8 51 51 GLU .582 2.139 1.641 4 5 9 52 52 LEU .471 .438 .455 4 4 8 53 53 LEU .478 .443 .461 4 4 8 54 54 VAL .547 .634 .586 4 3 7 55 55 LEU .557 1.125 .888 4 4 8 56 56 GLU .507 1.207 .961 4 5 9 57 57 GLN .634 1.291 1.051 4 5 9 58 58 PHE .682 1.089 .961 4 7 11 59 59 LEU .643 .909 .788 4 4 8 60 60 GLY .636 .000 .636 4 0 4 61 61 ALA .832 .765 .819 4 1 5 62 62 LEU .944 .869 .907 4 4 8 63 63 PRO 1.110 1.241 1.168 4 3 7 64 64 PRO 1.157 1.260 1.202 4 3 7 65 65 GLU 1.040 1.959 1.616 4 5 9 66 66 ILE 1.142 1.243 1.193 4 4 8 67 67 GLN 1.056 .824 .934 4 5 9 68 68 ALA 1.146 1.171 1.151 4 1 5 69 69 ARG 1.172 1.427 1.340 4 7 11 70 70 VAL 1.145 1.910 1.521 4 3 7 71 71 GLN 1.317 1.024 1.163 4 5 9 72 72 GLY 1.037 .000 1.037 4 0 4 73 73 GLN 1.243 1.715 1.523 4 5 9 74 74 ARG 1.324 1.616 1.516 4 7 11 75 75 PRO .801 .969 .877 4 3 7 76 76 GLY .873 .000 .873 4 0 4 77 77 SER .851 .993 .901 4 2 6 78 78 PRO .810 .835 .821 4 3 7 79 79 GLU 1.000 1.641 1.393 4 5 9 80 80 GLU .987 1.284 1.162 4 5 9 81 81 ALA .855 .701 .827 4 1 5 82 82 ALA 1.044 1.062 1.047 4 1 5 83 83 ALA 1.258 1.296 1.265 4 1 5 84 84 LEU 1.015 1.088 1.052 4 4 8 85 85 VAL .902 .788 .855 4 3 7 86 86 ASP 1.080 1.972 1.590 4 4 8 87 87 GLY 1.001 .000 1.001 4 0 4 88 88 LEU .643 .971 .823 4 4 8 89 89 ARG .986 2.295 1.925 4 7 11 90 90 ARG 1.388 5.047 4.112 4 7 11 91 91 GLU 4.788 7.775 6.616 4 5 9 92 92 PRO 7.197 7.416 7.292 4 3 7 93 93 GLY 10.859 .000 10.859 4 0 4 94 94 GLY 12.398 .000 12.398 4 0 4 95 301 GLY 1.713 .000 1.713 4 0 4 96 302 SER 1.214 2.221 1.620 4 2 6 97 303 ASP .941 2.600 1.955 4 4 8 98 304 PRO 1.011 1.340 1.163 4 3 7 99 305 GLY .795 .000 .795 4 0 4 100 306 PRO .489 .361 .439 4 3 7 101 307 GLU .762 1.454 1.197 4 5 9 102 308 ALA .869 .957 .887 4 1 5 103 309 ALA .665 .371 .617 4 1 5 104 310 ARG .845 1.873 1.579 4 7 11 105 311 LEU .856 2.463 1.844 4 4 8 106 312 ARG .871 1.226 1.110 4 7 11 107 313 PHE .860 1.229 1.109 4 7 11 108 314 ARG .818 2.148 1.783 4 7 11 109 315 CYS .888 1.267 1.030 4 2 6 110 316 PHE .788 1.328 1.161 4 7 11 111 317 HIS .926 1.361 1.206 4 6 10 112 318 TYR 1.034 1.115 1.089 4 8 12 113 319 GLU 1.194 1.418 1.323 4 5 9 114 320 GLU 1.393 1.413 1.404 4 5 9 115 321 ALA 1.417 1.583 1.451 4 1 5 116 322 THR 1.094 1.086 1.091 4 3 7 117 323 GLY .987 .000 .987 4 0 4 118 324 PRO .869 .999 .927 4 3 7 119 325 GLN .677 1.444 1.167 4 5 9 120 326 GLU .742 .975 .879 4 5 9 121 327 ALA .804 .942 .834 4 1 5 122 328 LEU .774 .779 .776 4 4 8 123 329 ALA .768 .584 .735 4 1 5 124 330 GLN .715 1.335 1.103 4 5 9 125 331 LEU .708 .850 .782 4 4 8 126 332 ARG .625 .911 .819 4 7 11 127 333 GLU .638 .945 .823 4 5 9 128 334 LEU .589 .628 .609 4 4 8 129 335 CYS .445 .737 .559 4 2 6 130 336 ARG .458 .980 .829 4 7 11 131 337 GLN .484 .564 .530 4 5 9 132 338 TRP .533 .545 .541 4 10 14 133 339 LEU .431 .478 .455 4 4 8 134 340 ARG .443 1.374 1.128 4 7 11 135 341 PRO .563 .467 .524 4 3 7 136 342 GLU .656 1.967 1.530 4 5 9 137 343 VAL .671 .792 .726 4 3 7 138 344 ARG .536 1.095 .931 4 7 11 139 345 SER .546 .593 .562 4 2 6 140 346 LYS .517 1.623 1.258 4 5 9 141 347 GLU .613 1.587 1.252 4 5 9 142 348 GLN .548 1.441 1.135 4 5 9 143 349 MET .340 1.136 .839 4 4 8 144 350 LEU .253 .530 .416 4 4 8 145 351 GLU .411 2.224 1.680 4 5 9 146 352 LEU .376 .410 .394 4 4 8 147 353 LEU .251 .369 .315 4 4 8 148 354 VAL .326 .383 .352 4 3 7 149 355 LEU .343 .897 .679 4 4 8 150 356 GLU .230 1.776 1.333 4 5 9 151 357 GLN .418 .933 .749 4 5 9 152 358 PHE .539 .925 .806 4 7 11 153 359 LEU .507 .832 .689 4 4 8 154 360 GLY .540 .000 .540 4 0 4 155 361 ALA .705 .675 .699 4 1 5 156 362 LEU .747 .652 .701 4 4 8 157 363 PRO 1.046 1.217 1.122 4 3 7 158 364 PRO 1.266 1.405 1.327 4 3 7 159 365 GLU 1.213 1.977 1.681 4 5 9 160 366 ILE 1.019 1.105 1.063 4 4 8 161 367 GLN .937 .888 .910 4 5 9 162 368 ALA 1.121 1.363 1.173 4 1 5 163 369 ARG .910 1.881 1.598 4 7 11 164 370 VAL .897 1.889 1.410 4 3 7 165 371 GLN .700 1.404 1.146 4 5 9 166 372 GLY .740 .000 .740 4 0 4 167 373 GLN .643 1.532 1.220 4 5 9 168 374 ARG .733 1.535 1.302 4 7 11 169 375 PRO .712 .809 .755 4 3 7 170 376 GLY .574 .000 .574 4 0 4 171 377 SER .557 .749 .628 4 2 6 172 378 PRO .602 .545 .578 4 3 7 173 379 GLU .669 1.361 1.108 4 5 9 174 380 GLU .662 .933 .823 4 5 9 175 381 ALA .740 .731 .738 4 1 5 176 382 ALA .775 .767 .774 4 1 5 177 383 ALA .697 .979 .762 4 1 5 178 384 LEU .717 1.120 .940 4 4 8 179 385 VAL .670 .734 .698 4 3 7 180 386 ASP .643 1.138 .924 4 4 8 181 387 GLY .707 .000 .707 4 0 4 182 388 LEU 1.510 1.395 1.454 4 4 8 183 389 ARG 1.646 1.853 1.780 4 7 11 184 390 ARG 2.325 6.931 5.704 4 7 11 185 391 GLU 2.547 5.412 4.376 4 5 9 186 392 PRO 5.339 4.930 5.168 4 3 7 187 393 GLY 8.078 .000 8.078 4 0 4 188 394 GLY 9.662 .000 9.662 3 0 3 ENDMDL Model RMS deviations: 1.8513 1.8229 1.8374 751 724 1475 MODEL 13 1 1 GLY 5.624 .000 5.624 4 0 4 2 2 SER 2.967 4.607 3.598 4 2 6 3 3 ASP 1.865 1.420 1.658 4 4 8 4 4 PRO 1.177 .912 1.072 4 3 7 5 5 GLY 1.164 .000 1.164 4 0 4 6 6 PRO 1.017 1.166 1.083 4 3 7 7 7 GLU 1.150 2.179 1.796 4 5 9 8 8 ALA 1.070 1.176 1.092 4 1 5 9 9 ALA .758 .670 .741 4 1 5 10 10 ARG .868 2.367 1.959 4 7 11 11 11 LEU 1.085 1.547 1.336 4 4 8 12 12 ARG .685 1.613 1.352 4 7 11 13 13 PHE .649 1.087 .951 4 7 11 14 14 ARG 1.303 .849 1.038 4 7 11 15 15 CYS 1.193 1.595 1.340 4 2 6 16 16 PHE .962 1.206 1.123 4 7 11 17 17 HIS 1.025 1.240 1.159 4 6 10 18 18 TYR 1.182 1.388 1.323 4 8 12 19 19 GLU .955 1.117 1.048 4 5 9 20 20 GLU 1.099 2.322 1.880 4 5 9 21 21 ALA 1.013 .983 1.007 4 1 5 22 22 THR .982 1.885 1.440 4 3 7 23 23 GLY 1.066 .000 1.066 4 0 4 24 24 PRO .992 .879 .945 4 3 7 25 25 GLN .938 1.197 1.090 4 5 9 26 26 GLU .878 1.359 1.169 4 5 9 27 27 ALA .763 .857 .783 4 1 5 28 28 LEU .635 .753 .697 4 4 8 29 29 ALA .445 .532 .464 4 1 5 30 30 GLN .292 1.226 .935 4 5 9 31 31 LEU .415 .731 .594 4 4 8 32 32 ARG .271 1.180 .956 4 7 11 33 33 GLU .190 1.126 .848 4 5 9 34 34 LEU .280 .254 .268 4 4 8 35 35 CYS .335 .877 .576 4 2 6 36 36 ARG .350 .620 .537 4 7 11 37 37 GLN .454 .717 .614 4 5 9 38 38 TRP .511 .521 .518 4 10 14 39 39 LEU .331 .392 .363 4 4 8 40 40 ARG .337 1.857 1.495 4 7 11 41 41 PRO .296 .264 .283 4 3 7 42 42 GLU .472 2.757 2.079 4 5 9 43 43 VAL .511 .542 .525 4 3 7 44 44 ARG .383 .384 .384 4 7 11 45 45 SER .369 .165 .316 4 2 6 46 46 LYS .614 .777 .709 4 5 9 47 47 GLU .702 2.392 1.844 4 5 9 48 48 GLN .587 1.076 .892 4 5 9 49 49 MET .211 .275 .245 4 4 8 50 50 LEU .080 .451 .324 4 4 8 51 51 GLU .182 1.753 1.312 4 5 9 52 52 LEU .247 .317 .284 4 4 8 53 53 LEU .213 .929 .674 4 4 8 54 54 VAL .248 .278 .261 4 3 7 55 55 LEU .484 1.283 .970 4 4 8 56 56 GLU .528 1.249 .995 4 5 9 57 57 GLN .545 .931 .783 4 5 9 58 58 PHE .587 1.216 1.032 4 7 11 59 59 LEU .814 1.120 .979 4 4 8 60 60 GLY .805 .000 .805 4 0 4 61 61 ALA .789 .607 .756 4 1 5 62 62 LEU .998 .998 .998 4 4 8 63 63 PRO 1.118 1.059 1.093 4 3 7 64 64 PRO 1.378 1.430 1.400 4 3 7 65 65 GLU 1.528 1.787 1.677 4 5 9 66 66 ILE 1.301 1.257 1.279 4 4 8 67 67 GLN 1.203 1.080 1.136 4 5 9 68 68 ALA 1.379 1.452 1.394 4 1 5 69 69 ARG 1.405 1.501 1.467 4 7 11 70 70 VAL 1.346 .961 1.196 4 3 7 71 71 GLN 1.646 1.986 1.843 4 5 9 72 72 GLY 1.980 .000 1.980 4 0 4 73 73 GLN 1.498 1.723 1.627 4 5 9 74 74 ARG 1.479 2.360 2.083 4 7 11 75 75 PRO 1.318 1.095 1.227 4 3 7 76 76 GLY 1.263 .000 1.263 4 0 4 77 77 SER .872 1.364 1.062 4 2 6 78 78 PRO .660 .707 .680 4 3 7 79 79 GLU .933 1.087 1.022 4 5 9 80 80 GLU 1.184 1.751 1.525 4 5 9 81 81 ALA 1.056 .870 1.021 4 1 5 82 82 ALA 1.012 .864 .984 4 1 5 83 83 ALA 1.260 1.186 1.246 4 1 5 84 84 LEU 1.337 1.334 1.335 4 4 8 85 85 VAL 1.088 1.112 1.099 4 3 7 86 86 ASP .916 1.064 .993 4 4 8 87 87 GLY 1.281 .000 1.281 4 0 4 88 88 LEU 1.307 1.334 1.321 4 4 8 89 89 ARG 1.527 .982 1.209 4 7 11 90 90 ARG 1.174 5.078 4.112 4 7 11 91 91 GLU 2.752 5.039 4.180 4 5 9 92 92 PRO 5.260 5.264 5.262 4 3 7 93 93 GLY 6.151 .000 6.151 4 0 4 94 94 GLY 6.800 .000 6.800 4 0 4 95 301 GLY 3.535 .000 3.535 4 0 4 96 302 SER 2.988 4.586 3.600 4 2 6 97 303 ASP 1.979 1.749 1.868 4 4 8 98 304 PRO 1.583 1.822 1.689 4 3 7 99 305 GLY 1.369 .000 1.369 4 0 4 100 306 PRO .930 1.107 1.010 4 3 7 101 307 GLU 1.085 2.241 1.820 4 5 9 102 308 ALA 1.016 1.198 1.055 4 1 5 103 309 ALA .726 .683 .718 4 1 5 104 310 ARG .656 2.379 1.938 4 7 11 105 311 LEU .688 .994 .855 4 4 8 106 312 ARG .543 .798 .716 4 7 11 107 313 PHE .540 1.079 .920 4 7 11 108 314 ARG .644 3.327 2.682 4 7 11 109 315 CYS .946 1.340 1.093 4 2 6 110 316 PHE .535 .750 .680 4 7 11 111 317 HIS .554 .906 .785 4 6 10 112 318 TYR .675 1.125 .998 4 8 12 113 319 GLU .433 .819 .675 4 5 9 114 320 GLU .458 1.780 1.362 4 5 9 115 321 ALA .467 .487 .471 4 1 5 116 322 THR .372 .325 .353 4 3 7 117 323 GLY .313 .000 .313 4 0 4 118 324 PRO .533 .819 .671 4 3 7 119 325 GLN .523 1.610 1.250 4 5 9 120 326 GLU .380 .976 .770 4 5 9 121 327 ALA .275 .318 .284 4 1 5 122 328 LEU .264 .407 .343 4 4 8 123 329 ALA .351 .506 .387 4 1 5 124 330 GLN .293 1.062 .816 4 5 9 125 331 LEU .207 .280 .246 4 4 8 126 332 ARG .231 1.246 1.004 4 7 11 127 333 GLU .443 .863 .708 4 5 9 128 334 LEU .466 .490 .478 4 4 8 129 335 CYS .308 1.027 .644 4 2 6 130 336 ARG .426 .860 .733 4 7 11 131 337 GLN .618 .650 .636 4 5 9 132 338 TRP .614 .630 .625 4 10 14 133 339 LEU .386 .669 .546 4 4 8 134 340 ARG .408 1.192 .982 4 7 11 135 341 PRO .495 .576 .531 4 3 7 136 342 GLU .350 2.729 2.048 4 5 9 137 343 VAL .180 .190 .184 4 3 7 138 344 ARG .412 .444 .432 4 7 11 139 345 SER .628 1.290 .904 4 2 6 140 346 LYS .430 .809 .668 4 5 9 141 347 GLU .391 1.252 .969 4 5 9 142 348 GLN .284 .954 .736 4 5 9 143 349 MET .130 .362 .272 4 4 8 144 350 LEU .213 .297 .258 4 4 8 145 351 GLU .318 1.519 1.152 4 5 9 146 352 LEU .250 .150 .206 4 4 8 147 353 LEU .469 .506 .488 4 4 8 148 354 VAL .626 .562 .599 4 3 7 149 355 LEU .663 1.023 .862 4 4 8 150 356 GLU .716 1.839 1.451 4 5 9 151 357 GLN .859 1.121 1.013 4 5 9 152 358 PHE .913 1.184 1.093 4 7 11 153 359 LEU .979 1.073 1.027 4 4 8 154 360 GLY 1.057 .000 1.057 4 0 4 155 361 ALA 1.054 .922 1.029 4 1 5 156 362 LEU 1.198 1.095 1.147 4 4 8 157 363 PRO 1.383 1.503 1.435 4 3 7 158 364 PRO 1.471 1.723 1.584 4 3 7 159 365 GLU 1.547 2.008 1.818 4 5 9 160 366 ILE 1.343 1.444 1.394 4 4 8 161 367 GLN 1.123 1.052 1.084 4 5 9 162 368 ALA 1.110 1.141 1.116 4 1 5 163 369 ARG 1.090 1.745 1.539 4 7 11 164 370 VAL 1.000 1.146 1.065 4 3 7 165 371 GLN .784 .938 .873 4 5 9 166 372 GLY 1.053 .000 1.053 4 0 4 167 373 GLN 1.138 1.730 1.496 4 5 9 168 374 ARG 1.091 1.096 1.094 4 7 11 169 375 PRO 1.109 1.211 1.154 4 3 7 170 376 GLY .987 .000 .987 4 0 4 171 377 SER .854 1.237 .998 4 2 6 172 378 PRO .649 .695 .669 4 3 7 173 379 GLU .810 1.065 .960 4 5 9 174 380 GLU 1.104 1.541 1.364 4 5 9 175 381 ALA 1.006 .865 .980 4 1 5 176 382 ALA .912 .564 .854 4 1 5 177 383 ALA 1.140 1.131 1.138 4 1 5 178 384 LEU 1.291 1.143 1.219 4 4 8 179 385 VAL 1.228 1.202 1.217 4 3 7 180 386 ASP 1.299 1.568 1.440 4 4 8 181 387 GLY 1.498 .000 1.498 4 0 4 182 388 LEU 1.438 1.469 1.453 4 4 8 183 389 ARG 1.638 1.268 1.414 4 7 11 184 390 ARG 1.751 3.980 3.346 4 7 11 185 391 GLU 3.470 6.055 5.072 4 5 9 186 392 PRO 5.748 5.687 5.722 4 3 7 187 393 GLY 7.188 .000 7.188 4 0 4 188 394 GLY 8.612 .000 8.612 3 0 3 ENDMDL Model RMS deviations: 1.6091 1.6923 1.6505 751 724 1475 MODEL 14 1 1 GLY 4.890 .000 4.890 4 0 4 2 2 SER 2.732 3.633 3.062 4 2 6 3 3 ASP .960 1.304 1.145 4 4 8 4 4 PRO .424 .483 .450 4 3 7 5 5 GLY .690 .000 .690 4 0 4 6 6 PRO 1.013 1.203 1.099 4 3 7 7 7 GLU .980 1.806 1.496 4 5 9 8 8 ALA .842 .573 .795 4 1 5 9 9 ALA .903 .928 .908 4 1 5 10 10 ARG .931 1.594 1.390 4 7 11 11 11 LEU .971 .942 .957 4 4 8 12 12 ARG 1.001 1.071 1.046 4 7 11 13 13 PHE 1.046 1.231 1.167 4 7 11 14 14 ARG 1.140 2.302 1.961 4 7 11 15 15 CYS .807 1.060 .899 4 2 6 16 16 PHE .704 1.028 .924 4 7 11 17 17 HIS .646 1.180 1.001 4 6 10 18 18 TYR .517 1.072 .925 4 8 12 19 19 GLU .353 1.057 .823 4 5 9 20 20 GLU .233 1.234 .932 4 5 9 21 21 ALA .492 .447 .484 4 1 5 22 22 THR .661 .731 .692 4 3 7 23 23 GLY .530 .000 .530 4 0 4 24 24 PRO .413 .481 .443 4 3 7 25 25 GLN .684 1.061 .913 4 5 9 26 26 GLU .701 1.010 .886 4 5 9 27 27 ALA .527 .325 .493 4 1 5 28 28 LEU .662 .469 .574 4 4 8 29 29 ALA .835 .840 .836 4 1 5 30 30 GLN .920 1.435 1.233 4 5 9 31 31 LEU .847 .525 .704 4 4 8 32 32 ARG 1.041 2.257 1.907 4 7 11 33 33 GLU 1.191 2.266 1.866 4 5 9 34 34 LEU .977 1.117 1.049 4 4 8 35 35 CYS .910 1.047 .958 4 2 6 36 36 ARG 1.031 1.964 1.686 4 7 11 37 37 GLN 1.205 1.473 1.360 4 5 9 38 38 TRP 1.045 .920 .958 4 10 14 39 39 LEU .647 .849 .755 4 4 8 40 40 ARG .618 1.175 1.008 4 7 11 41 41 PRO .654 .776 .709 4 3 7 42 42 GLU .506 2.453 1.859 4 5 9 43 43 VAL .288 .229 .264 4 3 7 44 44 ARG .497 .678 .619 4 7 11 45 45 SER .573 .550 .565 4 2 6 46 46 LYS .583 .820 .724 4 5 9 47 47 GLU .405 1.662 1.268 4 5 9 48 48 GLN .641 1.276 1.043 4 5 9 49 49 MET .561 .601 .581 4 4 8 50 50 LEU .606 .767 .691 4 4 8 51 51 GLU .788 2.931 2.247 4 5 9 52 52 LEU .629 .671 .650 4 4 8 53 53 LEU .586 .658 .623 4 4 8 54 54 VAL .644 .639 .642 4 3 7 55 55 LEU .479 .820 .671 4 4 8 56 56 GLU .452 1.071 .853 4 5 9 57 57 GLN .669 1.082 .922 4 5 9 58 58 PHE .521 1.111 .941 4 7 11 59 59 LEU .513 .729 .630 4 4 8 60 60 GLY .815 .000 .815 4 0 4 61 61 ALA .775 .741 .768 4 1 5 62 62 LEU .781 .485 .650 4 4 8 63 63 PRO .879 .746 .824 4 3 7 64 64 PRO 1.086 1.282 1.174 4 3 7 65 65 GLU 1.065 1.492 1.319 4 5 9 66 66 ILE .770 .670 .722 4 4 8 67 67 GLN .713 .847 .790 4 5 9 68 68 ALA .791 .943 .824 4 1 5 69 69 ARG .711 .874 .819 4 7 11 70 70 VAL .525 .409 .479 4 3 7 71 71 GLN .591 .961 .817 4 5 9 72 72 GLY .648 .000 .648 4 0 4 73 73 GLN .621 1.521 1.207 4 5 9 74 74 ARG .446 2.576 2.073 4 7 11 75 75 PRO .425 .398 .414 4 3 7 76 76 GLY .291 .000 .291 4 0 4 77 77 SER .291 .950 .598 4 2 6 78 78 PRO .326 .403 .361 4 3 7 79 79 GLU .439 1.444 1.115 4 5 9 80 80 GLU .508 1.229 .977 4 5 9 81 81 ALA .296 .211 .281 4 1 5 82 82 ALA .187 .124 .176 4 1 5 83 83 ALA .299 .373 .315 4 1 5 84 84 LEU .339 .546 .455 4 4 8 85 85 VAL .217 .333 .273 4 3 7 86 86 ASP .203 .691 .509 4 4 8 87 87 GLY .425 .000 .425 4 0 4 88 88 LEU .432 .457 .444 4 4 8 89 89 ARG .858 .943 .913 4 7 11 90 90 ARG 2.327 3.265 2.958 4 7 11 91 91 GLU 5.137 5.801 5.516 4 5 9 92 92 PRO 7.449 6.695 7.135 4 3 7 93 93 GLY 10.068 .000 10.068 4 0 4 94 94 GLY 10.448 .000 10.448 4 0 4 95 301 GLY 2.856 .000 2.856 4 0 4 96 302 SER 2.893 4.185 3.379 4 2 6 97 303 ASP 2.104 2.729 2.436 4 4 8 98 304 PRO 1.045 .983 1.019 4 3 7 99 305 GLY 1.500 .000 1.500 4 0 4 100 306 PRO 1.389 1.657 1.510 4 3 7 101 307 GLU 1.394 1.905 1.697 4 5 9 102 308 ALA 1.286 1.252 1.279 4 1 5 103 309 ALA 1.139 1.172 1.145 4 1 5 104 310 ARG 1.119 1.716 1.526 4 7 11 105 311 LEU 1.062 1.313 1.194 4 4 8 106 312 ARG .905 .722 .794 4 7 11 107 313 PHE 1.022 1.212 1.146 4 7 11 108 314 ARG 1.232 1.284 1.266 4 7 11 109 315 CYS .943 1.132 1.010 4 2 6 110 316 PHE .907 1.086 1.024 4 7 11 111 317 HIS .748 1.279 1.097 4 6 10 112 318 TYR .623 1.068 .944 4 8 12 113 319 GLU .607 .996 .845 4 5 9 114 320 GLU .584 1.362 1.087 4 5 9 115 321 ALA .562 .620 .574 4 1 5 116 322 THR .409 .431 .419 4 3 7 117 323 GLY .286 .000 .286 4 0 4 118 324 PRO .206 .256 .229 4 3 7 119 325 GLN .382 .865 .693 4 5 9 120 326 GLU .567 .794 .702 4 5 9 121 327 ALA .572 .486 .556 4 1 5 122 328 LEU .626 .569 .598 4 4 8 123 329 ALA .685 .714 .691 4 1 5 124 330 GLN .801 1.403 1.174 4 5 9 125 331 LEU .821 .733 .778 4 4 8 126 332 ARG .879 2.151 1.796 4 7 11 127 333 GLU 1.103 1.807 1.535 4 5 9 128 334 LEU 1.101 1.159 1.130 4 4 8 129 335 CYS .958 1.076 .999 4 2 6 130 336 ARG .865 2.005 1.682 4 7 11 131 337 GLN .849 2.230 1.756 4 5 9 132 338 TRP 1.087 .954 .994 4 10 14 133 339 LEU .879 .940 .910 4 4 8 134 340 ARG .893 1.189 1.091 4 7 11 135 341 PRO .827 .722 .784 4 3 7 136 342 GLU 1.101 2.489 1.995 4 5 9 137 343 VAL 1.225 1.250 1.236 4 3 7 138 344 ARG 1.030 1.257 1.180 4 7 11 139 345 SER .919 .950 .930 4 2 6 140 346 LYS .737 .866 .811 4 5 9 141 347 GLU .741 2.359 1.826 4 5 9 142 348 GLN .768 1.261 1.070 4 5 9 143 349 MET .703 .717 .710 4 4 8 144 350 LEU .728 .779 .754 4 4 8 145 351 GLU .800 2.233 1.748 4 5 9 146 352 LEU .636 .653 .644 4 4 8 147 353 LEU .625 .719 .674 4 4 8 148 354 VAL .622 .715 .663 4 3 7 149 355 LEU .387 1.078 .810 4 4 8 150 356 GLU .423 1.081 .854 4 5 9 151 357 GLN .578 1.069 .885 4 5 9 152 358 PHE .458 .673 .603 4 7 11 153 359 LEU .473 .637 .561 4 4 8 154 360 GLY .856 .000 .856 4 0 4 155 361 ALA .760 .722 .753 4 1 5 156 362 LEU .733 .425 .599 4 4 8 157 363 PRO .874 .751 .823 4 3 7 158 364 PRO 1.088 1.107 1.096 4 3 7 159 365 GLU .997 1.367 1.216 4 5 9 160 366 ILE .762 .646 .707 4 4 8 161 367 GLN .774 .830 .805 4 5 9 162 368 ALA 1.053 1.145 1.072 4 1 5 163 369 ARG 1.057 1.226 1.167 4 7 11 164 370 VAL .685 .692 .688 4 3 7 165 371 GLN .526 .923 .772 4 5 9 166 372 GLY .772 .000 .772 4 0 4 167 373 GLN .841 1.236 1.078 4 5 9 168 374 ARG .676 2.949 2.387 4 7 11 169 375 PRO .747 .944 .837 4 3 7 170 376 GLY .619 .000 .619 4 0 4 171 377 SER .360 .994 .645 4 2 6 172 378 PRO .293 .343 .315 4 3 7 173 379 GLU .529 1.959 1.502 4 5 9 174 380 GLU .527 1.093 .887 4 5 9 175 381 ALA .360 .184 .332 4 1 5 176 382 ALA .539 .634 .559 4 1 5 177 383 ALA .714 1.129 .814 4 1 5 178 384 LEU .652 1.156 .938 4 4 8 179 385 VAL .559 .562 .560 4 3 7 180 386 ASP .831 1.255 1.065 4 4 8 181 387 GLY .979 .000 .979 4 0 4 182 388 LEU .970 .681 .838 4 4 8 183 389 ARG 1.347 1.120 1.208 4 7 11 184 390 ARG 2.959 4.168 3.773 4 7 11 185 391 GLU 5.783 6.672 6.293 4 5 9 186 392 PRO 8.602 8.618 8.609 4 3 7 187 393 GLY 10.240 .000 10.240 4 0 4 188 394 GLY 10.300 .000 10.300 3 0 3 ENDMDL Model RMS deviations: 2.0051 1.7392 1.8793 751 724 1475 MODEL 15 1 1 GLY 2.835 .000 2.835 4 0 4 2 2 SER 2.240 3.520 2.734 4 2 6 3 3 ASP 1.758 1.354 1.569 4 4 8 4 4 PRO 1.989 1.969 1.980 4 3 7 5 5 GLY 1.446 .000 1.446 4 0 4 6 6 PRO 1.094 1.578 1.323 4 3 7 7 7 GLU .904 2.144 1.708 4 5 9 8 8 ALA .782 1.078 .850 4 1 5 9 9 ALA .480 .433 .471 4 1 5 10 10 ARG .334 .344 .340 4 7 11 11 11 LEU .303 .487 .406 4 4 8 12 12 ARG .385 1.597 1.295 4 7 11 13 13 PHE .344 .969 .800 4 7 11 14 14 ARG .415 3.082 2.471 4 7 11 15 15 CYS .450 .992 .680 4 2 6 16 16 PHE .418 .884 .749 4 7 11 17 17 HIS .531 1.071 .895 4 6 10 18 18 TYR .527 1.102 .950 4 8 12 19 19 GLU .626 1.111 .927 4 5 9 20 20 GLU .726 1.204 1.020 4 5 9 21 21 ALA .986 1.170 1.025 4 1 5 22 22 THR .697 .760 .724 4 3 7 23 23 GLY .643 .000 .643 4 0 4 24 24 PRO .484 .472 .479 4 3 7 25 25 GLN .544 1.096 .894 4 5 9 26 26 GLU .536 .998 .825 4 5 9 27 27 ALA .380 .378 .379 4 1 5 28 28 LEU .250 .318 .286 4 4 8 29 29 ALA .175 .166 .173 4 1 5 30 30 GLN .277 1.217 .926 4 5 9 31 31 LEU .272 .289 .281 4 4 8 32 32 ARG .207 2.293 1.833 4 7 11 33 33 GLU .324 1.535 1.164 4 5 9 34 34 LEU .288 .337 .313 4 4 8 35 35 CYS .306 .682 .466 4 2 6 36 36 ARG .269 2.246 1.799 4 7 11 37 37 GLN .218 .681 .528 4 5 9 38 38 TRP .218 .402 .359 4 10 14 39 39 LEU .371 .646 .527 4 4 8 40 40 ARG .349 1.113 .912 4 7 11 41 41 PRO .388 .369 .380 4 3 7 42 42 GLU .566 2.273 1.735 4 5 9 43 43 VAL .497 .913 .706 4 3 7 44 44 ARG .349 .983 .812 4 7 11 45 45 SER .515 1.715 1.075 4 2 6 46 46 LYS .443 .544 .501 4 5 9 47 47 GLU .611 2.128 1.638 4 5 9 48 48 GLN .677 1.200 1.002 4 5 9 49 49 MET .445 .294 .377 4 4 8 50 50 LEU .331 .558 .459 4 4 8 51 51 GLU .354 1.180 .911 4 5 9 52 52 LEU .389 .428 .409 4 4 8 53 53 LEU .366 .496 .436 4 4 8 54 54 VAL .297 .242 .275 4 3 7 55 55 LEU .363 .979 .738 4 4 8 56 56 GLU .601 1.422 1.133 4 5 9 57 57 GLN .619 1.202 .986 4 5 9 58 58 PHE .497 1.180 .988 4 7 11 59 59 LEU .536 1.154 .899 4 4 8 60 60 GLY .402 .000 .402 4 0 4 61 61 ALA .559 .549 .557 4 1 5 62 62 LEU .573 .643 .609 4 4 8 63 63 PRO .610 .655 .630 4 3 7 64 64 PRO .610 .655 .630 4 3 7 65 65 GLU .602 .837 .742 4 5 9 66 66 ILE .568 .596 .582 4 4 8 67 67 GLN .562 .537 .549 4 5 9 68 68 ALA .645 .546 .627 4 1 5 69 69 ARG .776 .829 .810 4 7 11 70 70 VAL .690 .739 .712 4 3 7 71 71 GLN .718 .907 .828 4 5 9 72 72 GLY 1.021 .000 1.021 4 0 4 73 73 GLN 1.144 2.026 1.692 4 5 9 74 74 ARG .988 1.338 1.223 4 7 11 75 75 PRO .590 .402 .518 4 3 7 76 76 GLY .537 .000 .537 4 0 4 77 77 SER .477 .578 .513 4 2 6 78 78 PRO .431 .496 .460 4 3 7 79 79 GLU .556 1.608 1.254 4 5 9 80 80 GLU .583 1.102 .909 4 5 9 81 81 ALA .423 .303 .402 4 1 5 82 82 ALA .430 .488 .442 4 1 5 83 83 ALA .356 .276 .342 4 1 5 84 84 LEU .321 .768 .588 4 4 8 85 85 VAL .733 2.032 1.441 4 3 7 86 86 ASP .764 1.263 1.043 4 4 8 87 87 GLY .923 .000 .923 4 0 4 88 88 LEU 1.196 .907 1.062 4 4 8 89 89 ARG 2.075 1.139 1.546 4 7 11 90 90 ARG 1.905 4.588 3.836 4 7 11 91 91 GLU 3.539 5.789 4.918 4 5 9 92 92 PRO 5.396 5.570 5.472 4 3 7 93 93 GLY 7.641 .000 7.641 4 0 4 94 94 GLY 10.247 .000 10.247 4 0 4 95 301 GLY 2.668 .000 2.668 4 0 4 96 302 SER 2.327 2.150 2.269 4 2 6 97 303 ASP 2.443 3.486 3.010 4 4 8 98 304 PRO 2.524 3.743 3.106 4 3 7 99 305 GLY .984 .000 .984 4 0 4 100 306 PRO .692 .708 .699 4 3 7 101 307 GLU .815 1.486 1.234 4 5 9 102 308 ALA .877 1.140 .936 4 1 5 103 309 ALA .736 .652 .720 4 1 5 104 310 ARG .805 1.025 .951 4 7 11 105 311 LEU .756 .852 .805 4 4 8 106 312 ARG .602 .661 .640 4 7 11 107 313 PHE .745 1.222 1.073 4 7 11 108 314 ARG 1.111 1.054 1.075 4 7 11 109 315 CYS .879 1.547 1.146 4 2 6 110 316 PHE .863 1.293 1.155 4 7 11 111 317 HIS .817 1.349 1.166 4 6 10 112 318 TYR .617 1.141 .997 4 8 12 113 319 GLU .580 1.154 .943 4 5 9 114 320 GLU .579 1.308 1.049 4 5 9 115 321 ALA .713 .916 .758 4 1 5 116 322 THR .629 .655 .640 4 3 7 117 323 GLY .605 .000 .605 4 0 4 118 324 PRO .608 .626 .616 4 3 7 119 325 GLN .847 1.293 1.117 4 5 9 120 326 GLU .700 .970 .861 4 5 9 121 327 ALA .552 .524 .547 4 1 5 122 328 LEU .497 .542 .520 4 4 8 123 329 ALA .361 .238 .340 4 1 5 124 330 GLN .496 1.362 1.067 4 5 9 125 331 LEU .602 .675 .639 4 4 8 126 332 ARG .500 2.990 2.404 4 7 11 127 333 GLU .710 1.151 .980 4 5 9 128 334 LEU .675 .803 .742 4 4 8 129 335 CYS .539 .826 .649 4 2 6 130 336 ARG .552 1.166 .988 4 7 11 131 337 GLN .594 .954 .814 4 5 9 132 338 TRP .520 .512 .515 4 10 14 133 339 LEU .494 .594 .546 4 4 8 134 340 ARG .411 1.424 1.163 4 7 11 135 341 PRO .390 .335 .368 4 3 7 136 342 GLU .286 1.290 .981 4 5 9 137 343 VAL .425 .348 .394 4 3 7 138 344 ARG .520 .633 .595 4 7 11 139 345 SER .490 .722 .578 4 2 6 140 346 LYS .310 .538 .451 4 5 9 141 347 GLU .547 2.608 1.978 4 5 9 142 348 GLN .628 1.399 1.124 4 5 9 143 349 MET .566 .447 .510 4 4 8 144 350 LEU .506 1.477 1.104 4 4 8 145 351 GLU .453 1.107 .879 4 5 9 146 352 LEU .409 .380 .395 4 4 8 147 353 LEU .427 .553 .494 4 4 8 148 354 VAL .302 .351 .324 4 3 7 149 355 LEU .207 .760 .557 4 4 8 150 356 GLU .243 .918 .703 4 5 9 151 357 GLN .242 1.257 .951 4 5 9 152 358 PHE .273 .703 .584 4 7 11 153 359 LEU .280 1.217 .883 4 4 8 154 360 GLY .322 .000 .322 4 0 4 155 361 ALA .412 .350 .400 4 1 5 156 362 LEU .446 .428 .437 4 4 8 157 363 PRO .548 .629 .584 4 3 7 158 364 PRO .477 .445 .464 4 3 7 159 365 GLU .503 .757 .656 4 5 9 160 366 ILE .523 .612 .569 4 4 8 161 367 GLN .426 .422 .424 4 5 9 162 368 ALA .461 .492 .468 4 1 5 163 369 ARG .431 .467 .454 4 7 11 164 370 VAL .342 .307 .327 4 3 7 165 371 GLN .389 1.077 .844 4 5 9 166 372 GLY .593 .000 .593 4 0 4 167 373 GLN .548 1.148 .930 4 5 9 168 374 ARG .491 1.213 1.012 4 7 11 169 375 PRO .552 .657 .599 4 3 7 170 376 GLY .751 .000 .751 4 0 4 171 377 SER .567 1.458 .961 4 2 6 172 378 PRO .379 .364 .372 4 3 7 173 379 GLU .425 1.940 1.473 4 5 9 174 380 GLU .471 1.270 .997 4 5 9 175 381 ALA .356 .321 .349 4 1 5 176 382 ALA .386 .294 .370 4 1 5 177 383 ALA .660 .667 .662 4 1 5 178 384 LEU .717 1.110 .934 4 4 8 179 385 VAL .634 1.709 1.217 4 3 7 180 386 ASP 1.015 1.375 1.209 4 4 8 181 387 GLY 1.402 .000 1.402 4 0 4 182 388 LEU 1.394 .836 1.149 4 4 8 183 389 ARG 2.373 1.203 1.723 4 7 11 184 390 ARG 1.977 6.398 5.241 4 7 11 185 391 GLU 2.962 3.199 3.096 4 5 9 186 392 PRO 5.158 5.178 5.166 4 3 7 187 393 GLY 6.649 .000 6.649 4 0 4 188 394 GLY 8.674 .000 8.674 3 0 3 ENDMDL Model RMS deviations: 1.5730 1.6270 1.5997 751 724 1475 MODEL 16 1 1 GLY 1.946 .000 1.946 4 0 4 2 2 SER 1.922 2.483 2.126 4 2 6 3 3 ASP 2.070 3.006 2.581 4 4 8 4 4 PRO 1.080 1.438 1.246 4 3 7 5 5 GLY 1.129 .000 1.129 4 0 4 6 6 PRO .732 .876 .797 4 3 7 7 7 GLU 1.396 4.013 3.133 4 5 9 8 8 ALA 1.148 1.518 1.231 4 1 5 9 9 ALA .613 .508 .593 4 1 5 10 10 ARG .581 .734 .683 4 7 11 11 11 LEU .615 .931 .789 4 4 8 12 12 ARG .282 1.362 1.100 4 7 11 13 13 PHE .376 .944 .786 4 7 11 14 14 ARG .728 2.141 1.764 4 7 11 15 15 CYS .773 .876 .809 4 2 6 16 16 PHE .683 .992 .892 4 7 11 17 17 HIS .711 1.395 1.170 4 6 10 18 18 TYR .489 .784 .700 4 8 12 19 19 GLU .659 1.188 .988 4 5 9 20 20 GLU .809 1.116 .991 4 5 9 21 21 ALA .851 .880 .857 4 1 5 22 22 THR .859 .902 .878 4 3 7 23 23 GLY .672 .000 .672 4 0 4 24 24 PRO .568 .813 .684 4 3 7 25 25 GLN .654 1.561 1.242 4 5 9 26 26 GLU .650 1.315 1.071 4 5 9 27 27 ALA .380 .354 .375 4 1 5 28 28 LEU .218 .314 .270 4 4 8 29 29 ALA .148 .180 .155 4 1 5 30 30 GLN .178 1.425 1.069 4 5 9 31 31 LEU .131 .151 .141 4 4 8 32 32 ARG .142 .989 .794 4 7 11 33 33 GLU .300 1.287 .980 4 5 9 34 34 LEU .228 .252 .240 4 4 8 35 35 CYS .210 .876 .534 4 2 6 36 36 ARG .256 1.172 .947 4 7 11 37 37 GLN .437 .870 .711 4 5 9 38 38 TRP .321 .331 .328 4 10 14 39 39 LEU .399 .475 .439 4 4 8 40 40 ARG .297 2.132 1.710 4 7 11 41 41 PRO .415 .471 .439 4 3 7 42 42 GLU .507 1.325 1.044 4 5 9 43 43 VAL .399 .508 .449 4 3 7 44 44 ARG .278 .370 .340 4 7 11 45 45 SER .312 1.673 .999 4 2 6 46 46 LYS .179 .622 .479 4 5 9 47 47 GLU .377 1.736 1.318 4 5 9 48 48 GLN .366 .981 .771 4 5 9 49 49 MET .168 .201 .185 4 4 8 50 50 LEU .342 1.307 .955 4 4 8 51 51 GLU .361 1.545 1.177 4 5 9 52 52 LEU .202 .286 .248 4 4 8 53 53 LEU .279 .148 .223 4 4 8 54 54 VAL .356 .386 .369 4 3 7 55 55 LEU .389 .970 .739 4 4 8 56 56 GLU .434 .836 .687 4 5 9 57 57 GLN .382 1.105 .862 4 5 9 58 58 PHE .336 .810 .677 4 7 11 59 59 LEU .433 .860 .681 4 4 8 60 60 GLY .449 .000 .449 4 0 4 61 61 ALA .393 .391 .393 4 1 5 62 62 LEU .394 .317 .358 4 4 8 63 63 PRO .442 .438 .440 4 3 7 64 64 PRO .576 .747 .655 4 3 7 65 65 GLU .352 .701 .573 4 5 9 66 66 ILE .304 .247 .277 4 4 8 67 67 GLN .453 .425 .438 4 5 9 68 68 ALA .533 .562 .539 4 1 5 69 69 ARG .472 2.317 1.870 4 7 11 70 70 VAL .637 .483 .576 4 3 7 71 71 GLN 1.180 1.007 1.088 4 5 9 72 72 GLY 1.444 .000 1.444 4 0 4 73 73 GLN 1.458 1.710 1.603 4 5 9 74 74 ARG 1.283 1.378 1.344 4 7 11 75 75 PRO .753 .605 .693 4 3 7 76 76 GLY .754 .000 .754 4 0 4 77 77 SER .556 1.157 .807 4 2 6 78 78 PRO .498 .618 .553 4 3 7 79 79 GLU .447 1.277 .997 4 5 9 80 80 GLU .559 1.048 .866 4 5 9 81 81 ALA .560 .648 .579 4 1 5 82 82 ALA .445 .407 .438 4 1 5 83 83 ALA .600 .663 .613 4 1 5 84 84 LEU .777 1.408 1.137 4 4 8 85 85 VAL .533 .369 .470 4 3 7 86 86 ASP .455 1.210 .914 4 4 8 87 87 GLY .335 .000 .335 4 0 4 88 88 LEU .643 .971 .824 4 4 8 89 89 ARG .827 .877 .859 4 7 11 90 90 ARG 1.703 6.093 4.968 4 7 11 91 91 GLU 3.033 5.110 4.313 4 5 9 92 92 PRO 5.803 6.140 5.950 4 3 7 93 93 GLY 7.360 .000 7.360 4 0 4 94 94 GLY 5.965 .000 5.965 4 0 4 95 301 GLY 4.079 .000 4.079 4 0 4 96 302 SER 2.251 2.580 2.365 4 2 6 97 303 ASP 1.846 1.877 1.862 4 4 8 98 304 PRO 1.370 2.214 1.781 4 3 7 99 305 GLY .901 .000 .901 4 0 4 100 306 PRO .814 .846 .828 4 3 7 101 307 GLU .755 1.106 .966 4 5 9 102 308 ALA .966 1.062 .986 4 1 5 103 309 ALA .779 .770 .777 4 1 5 104 310 ARG .650 .917 .830 4 7 11 105 311 LEU .837 1.264 1.072 4 4 8 106 312 ARG .542 1.829 1.495 4 7 11 107 313 PHE .499 1.138 .956 4 7 11 108 314 ARG .774 1.021 .938 4 7 11 109 315 CYS .533 1.707 1.077 4 2 6 110 316 PHE .372 1.092 .899 4 7 11 111 317 HIS .415 .997 .816 4 6 10 112 318 TYR .430 .769 .675 4 8 12 113 319 GLU .309 .850 .667 4 5 9 114 320 GLU .408 1.497 1.148 4 5 9 115 321 ALA .387 .396 .389 4 1 5 116 322 THR .213 .420 .319 4 3 7 117 323 GLY .221 .000 .221 4 0 4 118 324 PRO .285 .226 .261 4 3 7 119 325 GLN .296 .833 .651 4 5 9 120 326 GLU .171 .757 .576 4 5 9 121 327 ALA .134 .207 .152 4 1 5 122 328 LEU .311 .292 .302 4 4 8 123 329 ALA .532 .447 .517 4 1 5 124 330 GLN .445 .627 .553 4 5 9 125 331 LEU .574 .505 .541 4 4 8 126 332 ARG .710 1.398 1.195 4 7 11 127 333 GLU .757 1.002 .902 4 5 9 128 334 LEU .746 .784 .765 4 4 8 129 335 CYS .530 1.288 .861 4 2 6 130 336 ARG .612 1.160 .996 4 7 11 131 337 GLN .726 2.158 1.679 4 5 9 132 338 TRP .580 .343 .424 4 10 14 133 339 LEU .543 .309 .442 4 4 8 134 340 ARG .535 1.191 1.003 4 7 11 135 341 PRO .534 .517 .527 4 3 7 136 342 GLU .623 2.699 2.054 4 5 9 137 343 VAL .669 1.000 .827 4 3 7 138 344 ARG .351 .547 .485 4 7 11 139 345 SER .198 1.527 .896 4 2 6 140 346 LYS .146 .717 .543 4 5 9 141 347 GLU .339 1.769 1.338 4 5 9 142 348 GLN .432 1.305 1.014 4 5 9 143 349 MET .217 .330 .279 4 4 8 144 350 LEU .248 .329 .291 4 4 8 145 351 GLU .415 1.154 .904 4 5 9 146 352 LEU .318 .410 .367 4 4 8 147 353 LEU .228 .330 .283 4 4 8 148 354 VAL .163 .214 .187 4 3 7 149 355 LEU .124 1.091 .777 4 4 8 150 356 GLU .286 .896 .695 4 5 9 151 357 GLN .234 .904 .692 4 5 9 152 358 PHE .107 .672 .540 4 7 11 153 359 LEU .269 .661 .504 4 4 8 154 360 GLY .452 .000 .452 4 0 4 155 361 ALA .389 .321 .376 4 1 5 156 362 LEU .505 .317 .422 4 4 8 157 363 PRO .745 .898 .814 4 3 7 158 364 PRO .818 1.143 .971 4 3 7 159 365 GLU .907 1.484 1.261 4 5 9 160 366 ILE .694 .864 .784 4 4 8 161 367 GLN .360 .426 .398 4 5 9 162 368 ALA .424 .472 .434 4 1 5 163 369 ARG .462 3.433 2.752 4 7 11 164 370 VAL .360 .405 .380 4 3 7 165 371 GLN .453 .705 .606 4 5 9 166 372 GLY .266 .000 .266 4 0 4 167 373 GLN .405 .832 .677 4 5 9 168 374 ARG .505 1.038 .882 4 7 11 169 375 PRO .367 .306 .342 4 3 7 170 376 GLY .565 .000 .565 4 0 4 171 377 SER .373 1.032 .669 4 2 6 172 378 PRO .366 .317 .346 4 3 7 173 379 GLU .564 .892 .764 4 5 9 174 380 GLU .654 1.100 .928 4 5 9 175 381 ALA .582 .341 .543 4 1 5 176 382 ALA .875 .857 .871 4 1 5 177 383 ALA .944 1.226 1.007 4 1 5 178 384 LEU .529 .525 .527 4 4 8 179 385 VAL .668 1.551 1.134 4 3 7 180 386 ASP .803 1.271 1.063 4 4 8 181 387 GLY .477 .000 .477 4 0 4 182 388 LEU .566 .560 .563 4 4 8 183 389 ARG 1.068 1.567 1.406 4 7 11 184 390 ARG 1.252 6.303 5.085 4 7 11 185 391 GLU 2.739 4.282 3.677 4 5 9 186 392 PRO 5.283 4.236 4.862 4 3 7 187 393 GLY 8.569 .000 8.569 4 0 4 188 394 GLY 10.060 .000 10.060 3 0 3 ENDMDL Model RMS deviations: 1.4929 1.6435 1.5686 751 724 1475 MODEL 17 1 1 GLY 3.731 .000 3.731 4 0 4 2 2 SER 3.306 4.567 3.773 4 2 6 3 3 ASP 2.486 3.033 2.773 4 4 8 4 4 PRO 1.301 1.439 1.362 4 3 7 5 5 GLY .722 .000 .722 4 0 4 6 6 PRO .686 .784 .730 4 3 7 7 7 GLU 1.010 1.736 1.458 4 5 9 8 8 ALA .955 .934 .951 4 1 5 9 9 ALA .957 1.072 .981 4 1 5 10 10 ARG .884 1.326 1.185 4 7 11 11 11 LEU 1.085 1.501 1.310 4 4 8 12 12 ARG 1.137 1.880 1.649 4 7 11 13 13 PHE .820 1.083 .996 4 7 11 14 14 ARG 1.076 1.124 1.107 4 7 11 15 15 CYS 1.305 2.294 1.700 4 2 6 16 16 PHE 1.029 1.203 1.143 4 7 11 17 17 HIS .946 .983 .968 4 6 10 18 18 TYR .893 1.152 1.073 4 8 12 19 19 GLU .705 1.035 .903 4 5 9 20 20 GLU .464 1.463 1.133 4 5 9 21 21 ALA .352 .363 .354 4 1 5 22 22 THR .457 .742 .596 4 3 7 23 23 GLY .536 .000 .536 4 0 4 24 24 PRO .632 .648 .639 4 3 7 25 25 GLN .569 1.387 1.101 4 5 9 26 26 GLU .560 .851 .736 4 5 9 27 27 ALA .656 .747 .675 4 1 5 28 28 LEU .621 .594 .608 4 4 8 29 29 ALA .752 .827 .767 4 1 5 30 30 GLN .741 1.205 1.025 4 5 9 31 31 LEU .650 .764 .709 4 4 8 32 32 ARG .663 3.012 2.436 4 7 11 33 33 GLU .702 1.650 1.316 4 5 9 34 34 LEU .647 .927 .799 4 4 8 35 35 CYS .424 1.062 .704 4 2 6 36 36 ARG .549 .861 .762 4 7 11 37 37 GLN .726 1.161 .991 4 5 9 38 38 TRP .689 .605 .630 4 10 14 39 39 LEU .507 .644 .579 4 4 8 40 40 ARG .388 2.166 1.744 4 7 11 41 41 PRO .467 .284 .399 4 3 7 42 42 GLU .926 2.656 2.074 4 5 9 43 43 VAL .962 1.146 1.044 4 3 7 44 44 ARG .773 1.192 1.059 4 7 11 45 45 SER .726 .750 .734 4 2 6 46 46 LYS .647 .950 .829 4 5 9 47 47 GLU .852 1.803 1.459 4 5 9 48 48 GLN .704 1.709 1.358 4 5 9 49 49 MET .575 .397 .494 4 4 8 50 50 LEU .818 1.574 1.255 4 4 8 51 51 GLU .976 3.232 2.495 4 5 9 52 52 LEU .848 .898 .873 4 4 8 53 53 LEU .694 .738 .717 4 4 8 54 54 VAL .693 .873 .776 4 3 7 55 55 LEU .725 1.111 .938 4 4 8 56 56 GLU .776 1.067 .949 4 5 9 57 57 GLN .809 1.323 1.124 4 5 9 58 58 PHE .725 1.318 1.139 4 7 11 59 59 LEU .746 .885 .818 4 4 8 60 60 GLY .911 .000 .911 4 0 4 61 61 ALA 1.068 1.008 1.056 4 1 5 62 62 LEU 1.084 .926 1.008 4 4 8 63 63 PRO 1.189 1.353 1.262 4 3 7 64 64 PRO 1.017 1.451 1.222 4 3 7 65 65 GLU 1.134 1.825 1.556 4 5 9 66 66 ILE 1.101 1.301 1.205 4 4 8 67 67 GLN .834 .786 .808 4 5 9 68 68 ALA .858 .901 .867 4 1 5 69 69 ARG .911 1.771 1.516 4 7 11 70 70 VAL .995 1.116 1.049 4 3 7 71 71 GLN 1.145 1.126 1.134 4 5 9 72 72 GLY 1.046 .000 1.046 4 0 4 73 73 GLN .896 1.283 1.127 4 5 9 74 74 ARG .703 3.780 3.045 4 7 11 75 75 PRO .481 .615 .543 4 3 7 76 76 GLY .715 .000 .715 4 0 4 77 77 SER .682 .730 .699 4 2 6 78 78 PRO .677 .547 .625 4 3 7 79 79 GLU .903 .908 .906 4 5 9 80 80 GLU .952 1.418 1.233 4 5 9 81 81 ALA .877 .698 .844 4 1 5 82 82 ALA 1.126 1.126 1.126 4 1 5 83 83 ALA 1.227 1.470 1.279 4 1 5 84 84 LEU .990 .964 .977 4 4 8 85 85 VAL .872 .981 .920 4 3 7 86 86 ASP .740 1.042 .904 4 4 8 87 87 GLY .724 .000 .724 4 0 4 88 88 LEU .951 1.072 1.013 4 4 8 89 89 ARG 1.161 1.588 1.448 4 7 11 90 90 ARG 2.009 3.796 3.262 4 7 11 91 91 GLU 2.129 3.211 2.782 4 5 9 92 92 PRO 5.113 5.211 5.155 4 3 7 93 93 GLY 8.161 .000 8.161 4 0 4 94 94 GLY 8.852 .000 8.852 4 0 4 95 301 GLY 4.038 .000 4.038 4 0 4 96 302 SER 3.418 5.393 4.182 4 2 6 97 303 ASP 2.746 3.285 3.027 4 4 8 98 304 PRO 2.556 2.355 2.472 4 3 7 99 305 GLY 1.626 .000 1.626 4 0 4 100 306 PRO 1.016 1.293 1.143 4 3 7 101 307 GLU 1.911 4.351 3.484 4 5 9 102 308 ALA 1.432 1.976 1.556 4 1 5 103 309 ALA .755 .502 .712 4 1 5 104 310 ARG .844 1.175 1.067 4 7 11 105 311 LEU .768 .957 .867 4 4 8 106 312 ARG .507 1.181 .991 4 7 11 107 313 PHE .580 1.262 1.066 4 7 11 108 314 ARG .818 1.327 1.168 4 7 11 109 315 CYS .828 1.370 1.041 4 2 6 110 316 PHE .878 1.196 1.091 4 7 11 111 317 HIS .930 1.149 1.067 4 6 10 112 318 TYR .965 1.224 1.145 4 8 12 113 319 GLU 1.159 1.619 1.433 4 5 9 114 320 GLU 1.351 1.786 1.607 4 5 9 115 321 ALA 1.795 1.769 1.790 4 1 5 116 322 THR 1.531 1.483 1.510 4 3 7 117 323 GLY 1.274 .000 1.274 4 0 4 118 324 PRO .941 1.176 1.048 4 3 7 119 325 GLN .891 1.745 1.430 4 5 9 120 326 GLU .952 1.590 1.344 4 5 9 121 327 ALA .850 .883 .857 4 1 5 122 328 LEU .750 .708 .729 4 4 8 123 329 ALA .896 .973 .912 4 1 5 124 330 GLN .870 1.219 1.078 4 5 9 125 331 LEU .836 .773 .805 4 4 8 126 332 ARG .919 2.034 1.715 4 7 11 127 333 GLU .991 1.538 1.323 4 5 9 128 334 LEU .831 .693 .765 4 4 8 129 335 CYS .782 1.122 .910 4 2 6 130 336 ARG .873 1.416 1.246 4 7 11 131 337 GLN .888 1.703 1.400 4 5 9 132 338 TRP .734 .664 .685 4 10 14 133 339 LEU .808 .782 .795 4 4 8 134 340 ARG .849 1.612 1.384 4 7 11 135 341 PRO .817 1.092 .945 4 3 7 136 342 GLU 1.108 2.916 2.295 4 5 9 137 343 VAL 1.009 1.164 1.078 4 3 7 138 344 ARG .791 .949 .895 4 7 11 139 345 SER .714 1.340 .969 4 2 6 140 346 LYS .356 1.047 .815 4 5 9 141 347 GLU .260 1.897 1.424 4 5 9 142 348 GLN .502 2.468 1.870 4 5 9 143 349 MET .305 .457 .389 4 4 8 144 350 LEU .433 .578 .510 4 4 8 145 351 GLU .676 2.904 2.211 4 5 9 146 352 LEU .446 .625 .543 4 4 8 147 353 LEU .375 .465 .423 4 4 8 148 354 VAL .615 .693 .650 4 3 7 149 355 LEU .662 1.364 1.072 4 4 8 150 356 GLU .642 1.448 1.161 4 5 9 151 357 GLN .744 1.321 1.102 4 5 9 152 358 PHE .893 1.415 1.251 4 7 11 153 359 LEU 1.052 1.178 1.117 4 4 8 154 360 GLY 1.189 .000 1.189 4 0 4 155 361 ALA 1.139 1.031 1.118 4 1 5 156 362 LEU 1.229 1.034 1.136 4 4 8 157 363 PRO 1.325 1.213 1.278 4 3 7 158 364 PRO 1.474 1.571 1.516 4 3 7 159 365 GLU 1.380 1.449 1.419 4 5 9 160 366 ILE 1.193 1.058 1.127 4 4 8 161 367 GLN 1.306 1.467 1.398 4 5 9 162 368 ALA 1.423 1.509 1.441 4 1 5 163 369 ARG 1.331 1.351 1.344 4 7 11 164 370 VAL 1.296 1.049 1.197 4 3 7 165 371 GLN 1.756 1.738 1.746 4 5 9 166 372 GLY 1.938 .000 1.938 4 0 4 167 373 GLN 1.433 1.975 1.755 4 5 9 168 374 ARG 1.089 1.593 1.430 4 7 11 169 375 PRO 1.064 .880 .989 4 3 7 170 376 GLY 1.293 .000 1.293 4 0 4 171 377 SER .875 1.115 .962 4 2 6 172 378 PRO .600 .625 .611 4 3 7 173 379 GLU .452 .874 .718 4 5 9 174 380 GLU .630 .995 .852 4 5 9 175 381 ALA .703 .769 .717 4 1 5 176 382 ALA .490 .412 .475 4 1 5 177 383 ALA .458 .412 .449 4 1 5 178 384 LEU .719 .880 .804 4 4 8 179 385 VAL .725 1.024 .866 4 3 7 180 386 ASP .574 1.010 .821 4 4 8 181 387 GLY .599 .000 .599 4 0 4 182 388 LEU .956 1.103 1.032 4 4 8 183 389 ARG 1.398 1.119 1.227 4 7 11 184 390 ARG 2.430 3.873 3.419 4 7 11 185 391 GLU 1.572 2.744 2.298 4 5 9 186 392 PRO 4.067 4.233 4.139 4 3 7 187 393 GLY 5.689 .000 5.689 4 0 4 188 394 GLY 8.082 .000 8.082 3 0 3 ENDMDL Model RMS deviations: 1.6437 1.6981 1.6706 751 724 1475 MODEL 18 1 1 GLY 4.270 .000 4.270 4 0 4 2 2 SER 1.858 3.380 2.472 4 2 6 3 3 ASP .859 2.168 1.649 4 4 8 4 4 PRO 1.166 1.811 1.477 4 3 7 5 5 GLY .495 .000 .495 4 0 4 6 6 PRO .357 .580 .466 4 3 7 7 7 GLU .392 1.834 1.392 4 5 9 8 8 ALA .584 .681 .604 4 1 5 9 9 ALA .534 .459 .520 4 1 5 10 10 ARG .590 .508 .539 4 7 11 11 11 LEU .639 .723 .682 4 4 8 12 12 ARG .558 1.260 1.060 4 7 11 13 13 PHE .864 1.195 1.087 4 7 11 14 14 ARG 1.292 2.612 2.225 4 7 11 15 15 CYS 1.053 1.339 1.156 4 2 6 16 16 PHE .702 1.052 .940 4 7 11 17 17 HIS .760 1.100 .978 4 6 10 18 18 TYR 1.031 1.330 1.238 4 8 12 19 19 GLU .680 1.066 .915 4 5 9 20 20 GLU .791 1.496 1.233 4 5 9 21 21 ALA .742 .892 .774 4 1 5 22 22 THR .544 .626 .581 4 3 7 23 23 GLY .622 .000 .622 4 0 4 24 24 PRO .814 .891 .848 4 3 7 25 25 GLN .734 .989 .885 4 5 9 26 26 GLU .494 .833 .703 4 5 9 27 27 ALA .559 .584 .564 4 1 5 28 28 LEU .625 .664 .645 4 4 8 29 29 ALA .525 .478 .516 4 1 5 30 30 GLN .500 .918 .761 4 5 9 31 31 LEU .662 .699 .681 4 4 8 32 32 ARG .723 1.228 1.072 4 7 11 33 33 GLU .782 1.087 .963 4 5 9 34 34 LEU .715 .759 .738 4 4 8 35 35 CYS .719 .890 .780 4 2 6 36 36 ARG .587 .629 .614 4 7 11 37 37 GLN .483 .723 .628 4 5 9 38 38 TRP .420 .382 .393 4 10 14 39 39 LEU .463 .855 .688 4 4 8 40 40 ARG .388 1.671 1.354 4 7 11 41 41 PRO .715 .911 .805 4 3 7 42 42 GLU .716 1.814 1.434 4 5 9 43 43 VAL .521 .700 .604 4 3 7 44 44 ARG .326 1.520 1.229 4 7 11 45 45 SER .373 .589 .456 4 2 6 46 46 LYS .345 .936 .734 4 5 9 47 47 GLU .250 2.969 2.220 4 5 9 48 48 GLN .419 1.175 .919 4 5 9 49 49 MET .349 .464 .410 4 4 8 50 50 LEU .366 .555 .470 4 4 8 51 51 GLU .507 2.532 1.917 4 5 9 52 52 LEU .360 .355 .358 4 4 8 53 53 LEU .342 .351 .346 4 4 8 54 54 VAL .370 .444 .404 4 3 7 55 55 LEU .324 .886 .667 4 4 8 56 56 GLU .310 .903 .704 4 5 9 57 57 GLN .295 .921 .714 4 5 9 58 58 PHE .350 .832 .696 4 7 11 59 59 LEU .379 .803 .628 4 4 8 60 60 GLY .389 .000 .389 4 0 4 61 61 ALA .459 .424 .452 4 1 5 62 62 LEU .492 .498 .495 4 4 8 63 63 PRO .533 .679 .600 4 3 7 64 64 PRO .523 .788 .650 4 3 7 65 65 GLU .507 1.623 1.256 4 5 9 66 66 ILE .458 .618 .544 4 4 8 67 67 GLN .410 .317 .361 4 5 9 68 68 ALA .408 .519 .432 4 1 5 69 69 ARG .390 1.100 .909 4 7 11 70 70 VAL .555 .653 .599 4 3 7 71 71 GLN .829 .896 .867 4 5 9 72 72 GLY .976 .000 .976 4 0 4 73 73 GLN .952 2.464 1.943 4 5 9 74 74 ARG .944 1.233 1.136 4 7 11 75 75 PRO .626 .551 .595 4 3 7 76 76 GLY .921 .000 .921 4 0 4 77 77 SER .713 1.322 .960 4 2 6 78 78 PRO .670 .747 .704 4 3 7 79 79 GLU .774 1.067 .948 4 5 9 80 80 GLU .786 1.140 .998 4 5 9 81 81 ALA .635 .511 .612 4 1 5 82 82 ALA .718 .643 .703 4 1 5 83 83 ALA .772 .923 .805 4 1 5 84 84 LEU .709 .838 .777 4 4 8 85 85 VAL .696 .713 .703 4 3 7 86 86 ASP .909 1.136 1.029 4 4 8 87 87 GLY 1.161 .000 1.161 4 0 4 88 88 LEU 1.089 .559 .866 4 4 8 89 89 ARG 1.952 1.474 1.664 4 7 11 90 90 ARG 1.724 5.079 4.183 4 7 11 91 91 GLU 2.258 3.982 3.328 4 5 9 92 92 PRO 5.265 4.758 5.054 4 3 7 93 93 GLY 7.739 .000 7.739 4 0 4 94 94 GLY 9.553 .000 9.553 4 0 4 95 301 GLY 7.328 .000 7.328 4 0 4 96 302 SER 3.506 2.270 3.148 4 2 6 97 303 ASP 1.563 2.757 2.241 4 4 8 98 304 PRO 1.380 1.619 1.487 4 3 7 99 305 GLY 1.333 .000 1.333 4 0 4 100 306 PRO .802 1.015 .899 4 3 7 101 307 GLU .292 2.174 1.632 4 5 9 102 308 ALA .413 .641 .468 4 1 5 103 309 ALA .439 .490 .450 4 1 5 104 310 ARG .362 .602 .527 4 7 11 105 311 LEU .448 .759 .623 4 4 8 106 312 ARG .476 1.246 1.035 4 7 11 107 313 PHE .474 .897 .771 4 7 11 108 314 ARG .591 1.055 .914 4 7 11 109 315 CYS .567 .797 .653 4 2 6 110 316 PHE .487 .839 .731 4 7 11 111 317 HIS .678 .935 .842 4 6 10 112 318 TYR .657 1.238 1.079 4 8 12 113 319 GLU .775 1.030 .925 4 5 9 114 320 GLU 1.045 1.309 1.199 4 5 9 115 321 ALA 1.341 1.329 1.338 4 1 5 116 322 THR 1.004 1.780 1.391 4 3 7 117 323 GLY .842 .000 .842 4 0 4 118 324 PRO .748 .817 .778 4 3 7 119 325 GLN .680 1.199 1.002 4 5 9 120 326 GLU .601 .912 .789 4 5 9 121 327 ALA .652 .652 .652 4 1 5 122 328 LEU .580 .630 .605 4 4 8 123 329 ALA .445 .453 .446 4 1 5 124 330 GLN .490 .929 .766 4 5 9 125 331 LEU .467 .464 .465 4 4 8 126 332 ARG .402 1.101 .911 4 7 11 127 333 GLU .434 1.034 .823 4 5 9 128 334 LEU .305 .392 .351 4 4 8 129 335 CYS .230 .844 .522 4 2 6 130 336 ARG .180 1.096 .881 4 7 11 131 337 GLN .176 .973 .735 4 5 9 132 338 TRP .172 .323 .288 4 10 14 133 339 LEU .369 .855 .659 4 4 8 134 340 ARG .218 1.453 1.166 4 7 11 135 341 PRO .324 .347 .334 4 3 7 136 342 GLU .389 1.951 1.478 4 5 9 137 343 VAL .328 .441 .381 4 3 7 138 344 ARG .372 1.272 1.039 4 7 11 139 345 SER .632 1.362 .941 4 2 6 140 346 LYS .315 1.194 .915 4 5 9 141 347 GLU .276 2.327 1.745 4 5 9 142 348 GLN .511 1.187 .948 4 5 9 143 349 MET .400 1.103 .830 4 4 8 144 350 LEU .437 1.379 1.023 4 4 8 145 351 GLU .576 2.595 1.972 4 5 9 146 352 LEU .347 .312 .330 4 4 8 147 353 LEU .407 .530 .472 4 4 8 148 354 VAL .535 .514 .526 4 3 7 149 355 LEU .665 .945 .817 4 4 8 150 356 GLU .626 .889 .783 4 5 9 151 357 GLN .711 1.360 1.119 4 5 9 152 358 PHE .766 1.013 .931 4 7 11 153 359 LEU .825 1.087 .965 4 4 8 154 360 GLY .825 .000 .825 4 0 4 155 361 ALA .915 .799 .893 4 1 5 156 362 LEU .862 .891 .877 4 4 8 157 363 PRO 1.144 1.361 1.241 4 3 7 158 364 PRO 1.089 1.108 1.097 4 3 7 159 365 GLU 1.149 1.562 1.394 4 5 9 160 366 ILE 1.112 1.420 1.275 4 4 8 161 367 GLN .831 .664 .743 4 5 9 162 368 ALA .828 .940 .852 4 1 5 163 369 ARG .891 1.578 1.369 4 7 11 164 370 VAL .782 .715 .754 4 3 7 165 371 GLN .984 1.430 1.251 4 5 9 166 372 GLY 1.112 .000 1.112 4 0 4 167 373 GLN 1.185 2.839 2.259 4 5 9 168 374 ARG 1.267 1.365 1.330 4 7 11 169 375 PRO .761 .604 .698 4 3 7 170 376 GLY .566 .000 .566 4 0 4 171 377 SER .558 .643 .588 4 2 6 172 378 PRO .707 .619 .670 4 3 7 173 379 GLU .896 .995 .953 4 5 9 174 380 GLU .985 1.123 1.064 4 5 9 175 381 ALA 1.015 .897 .993 4 1 5 176 382 ALA 1.068 .862 1.030 4 1 5 177 383 ALA 1.109 1.120 1.111 4 1 5 178 384 LEU 1.036 .877 .960 4 4 8 179 385 VAL 1.110 1.705 1.396 4 3 7 180 386 ASP 1.049 1.356 1.212 4 4 8 181 387 GLY .988 .000 .988 4 0 4 182 388 LEU 1.001 1.303 1.162 4 4 8 183 389 ARG .879 1.364 1.211 4 7 11 184 390 ARG 1.183 3.982 3.256 4 7 11 185 391 GLU 3.759 6.015 5.136 4 5 9 186 392 PRO 6.323 4.305 5.549 4 3 7 187 393 GLY 7.902 .000 7.902 4 0 4 188 394 GLY 9.509 .000 9.509 3 0 3 ENDMDL Model RMS deviations: 1.7170 1.5578 1.6408 751 724 1475 MODEL 19 1 1 GLY 4.477 .000 4.477 4 0 4 2 2 SER 3.089 4.265 3.525 4 2 6 3 3 ASP 1.821 1.729 1.775 4 4 8 4 4 PRO 1.269 1.314 1.289 4 3 7 5 5 GLY .562 .000 .562 4 0 4 6 6 PRO .511 .585 .544 4 3 7 7 7 GLU .871 2.148 1.703 4 5 9 8 8 ALA .824 .924 .845 4 1 5 9 9 ALA .633 .544 .616 4 1 5 10 10 ARG .571 1.242 1.049 4 7 11 11 11 LEU .740 1.120 .949 4 4 8 12 12 ARG .774 1.198 1.063 4 7 11 13 13 PHE .600 .977 .859 4 7 11 14 14 ARG .745 1.667 1.404 4 7 11 15 15 CYS .882 1.331 1.053 4 2 6 16 16 PHE .772 1.045 .955 4 7 11 17 17 HIS .983 1.247 1.149 4 6 10 18 18 TYR 1.007 1.431 1.305 4 8 12 19 19 GLU 1.332 1.616 1.497 4 5 9 20 20 GLU 1.533 1.503 1.516 4 5 9 21 21 ALA 1.561 1.523 1.553 4 1 5 22 22 THR 1.475 1.491 1.482 4 3 7 23 23 GLY 1.343 .000 1.343 4 0 4 24 24 PRO .972 .923 .952 4 3 7 25 25 GLN 1.114 1.735 1.491 4 5 9 26 26 GLU 1.151 1.642 1.444 4 5 9 27 27 ALA .901 .916 .904 4 1 5 28 28 LEU .789 .807 .798 4 4 8 29 29 ALA .899 1.062 .934 4 1 5 30 30 GLN .753 1.257 1.063 4 5 9 31 31 LEU .457 .567 .515 4 4 8 32 32 ARG .433 2.027 1.638 4 7 11 33 33 GLU .475 1.875 1.433 4 5 9 34 34 LEU .389 .593 .501 4 4 8 35 35 CYS .287 .733 .484 4 2 6 36 36 ARG .274 .929 .759 4 7 11 37 37 GLN .450 1.385 1.075 4 5 9 38 38 TRP .562 .481 .505 4 10 14 39 39 LEU .535 .808 .685 4 4 8 40 40 ARG .414 1.352 1.107 4 7 11 41 41 PRO .538 .337 .463 4 3 7 42 42 GLU .799 1.932 1.535 4 5 9 43 43 VAL .979 1.088 1.027 4 3 7 44 44 ARG .702 .951 .869 4 7 11 45 45 SER .545 1.129 .789 4 2 6 46 46 LYS .436 .998 .799 4 5 9 47 47 GLU .505 2.348 1.782 4 5 9 48 48 GLN .416 .845 .688 4 5 9 49 49 MET .387 .343 .366 4 4 8 50 50 LEU .357 .763 .595 4 4 8 51 51 GLU .308 1.752 1.322 4 5 9 52 52 LEU .268 .327 .299 4 4 8 53 53 LEU .327 .447 .392 4 4 8 54 54 VAL .322 .329 .325 4 3 7 55 55 LEU .320 .917 .687 4 4 8 56 56 GLU .309 .979 .758 4 5 9 57 57 GLN .441 1.117 .883 4 5 9 58 58 PHE .375 .847 .713 4 7 11 59 59 LEU .473 .906 .723 4 4 8 60 60 GLY .695 .000 .695 4 0 4 61 61 ALA .576 .484 .559 4 1 5 62 62 LEU .574 .520 .547 4 4 8 63 63 PRO .657 .660 .658 4 3 7 64 64 PRO .780 .849 .810 4 3 7 65 65 GLU .812 .840 .828 4 5 9 66 66 ILE .731 .581 .661 4 4 8 67 67 GLN .766 .779 .773 4 5 9 68 68 ALA .885 1.044 .919 4 1 5 69 69 ARG .801 1.156 1.041 4 7 11 70 70 VAL 1.140 1.286 1.205 4 3 7 71 71 GLN 1.156 1.023 1.084 4 5 9 72 72 GLY 1.070 .000 1.070 4 0 4 73 73 GLN 1.235 1.961 1.678 4 5 9 74 74 ARG .771 3.077 2.498 4 7 11 75 75 PRO .539 .501 .523 4 3 7 76 76 GLY .553 .000 .553 4 0 4 77 77 SER .490 .718 .576 4 2 6 78 78 PRO .474 .469 .472 4 3 7 79 79 GLU .469 1.004 .811 4 5 9 80 80 GLU .468 .827 .691 4 5 9 81 81 ALA .528 .535 .530 4 1 5 82 82 ALA .513 .529 .516 4 1 5 83 83 ALA .664 .694 .670 4 1 5 84 84 LEU .750 .928 .844 4 4 8 85 85 VAL .594 .578 .587 4 3 7 86 86 ASP .830 1.251 1.062 4 4 8 87 87 GLY 1.263 .000 1.263 4 0 4 88 88 LEU .896 2.540 1.904 4 4 8 89 89 ARG 1.664 1.106 1.336 4 7 11 90 90 ARG 1.544 3.917 3.260 4 7 11 91 91 GLU 2.815 4.403 3.781 4 5 9 92 92 PRO 5.166 4.803 5.014 4 3 7 93 93 GLY 6.739 .000 6.739 4 0 4 94 94 GLY 9.973 .000 9.973 4 0 4 95 301 GLY 1.580 .000 1.580 4 0 4 96 302 SER 2.741 4.325 3.353 4 2 6 97 303 ASP 1.618 1.643 1.630 4 4 8 98 304 PRO 1.882 2.309 2.075 4 3 7 99 305 GLY .824 .000 .824 4 0 4 100 306 PRO .684 .629 .661 4 3 7 101 307 GLU .624 .928 .807 4 5 9 102 308 ALA .796 .927 .824 4 1 5 103 309 ALA .687 .661 .682 4 1 5 104 310 ARG .675 1.076 .950 4 7 11 105 311 LEU .733 .880 .810 4 4 8 106 312 ARG .506 .781 .694 4 7 11 107 313 PHE .697 1.227 1.065 4 7 11 108 314 ARG 1.107 2.640 2.209 4 7 11 109 315 CYS .824 .841 .829 4 2 6 110 316 PHE .567 1.170 .994 4 7 11 111 317 HIS .471 .873 .739 4 6 10 112 318 TYR .505 .888 .781 4 8 12 113 319 GLU .558 .791 .697 4 5 9 114 320 GLU .674 1.432 1.158 4 5 9 115 321 ALA .622 .776 .656 4 1 5 116 322 THR .527 .587 .553 4 3 7 117 323 GLY .517 .000 .517 4 0 4 118 324 PRO .501 .492 .497 4 3 7 119 325 GLN .497 1.148 .918 4 5 9 120 326 GLU .496 .811 .689 4 5 9 121 327 ALA .590 .658 .604 4 1 5 122 328 LEU .632 .521 .579 4 4 8 123 329 ALA .765 .756 .763 4 1 5 124 330 GLN .799 .773 .785 4 5 9 125 331 LEU .590 .527 .560 4 4 8 126 332 ARG .618 1.910 1.569 4 7 11 127 333 GLU .733 2.786 2.133 4 5 9 128 334 LEU .578 .943 .782 4 4 8 129 335 CYS .414 .852 .597 4 2 6 130 336 ARG .513 .813 .719 4 7 11 131 337 GLN .528 1.035 .848 4 5 9 132 338 TRP .332 .278 .295 4 10 14 133 339 LEU .422 1.032 .789 4 4 8 134 340 ARG .402 1.456 1.187 4 7 11 135 341 PRO .370 .262 .328 4 3 7 136 342 GLU .545 2.092 1.601 4 5 9 137 343 VAL .692 .723 .706 4 3 7 138 344 ARG .636 .726 .695 4 7 11 139 345 SER .603 .855 .697 4 2 6 140 346 LYS .489 1.145 .914 4 5 9 141 347 GLU .684 1.688 1.339 4 5 9 142 348 GLN .562 1.496 1.176 4 5 9 143 349 MET .319 .377 .349 4 4 8 144 350 LEU .141 .432 .322 4 4 8 145 351 GLU .224 1.179 .891 4 5 9 146 352 LEU .305 .569 .456 4 4 8 147 353 LEU .241 .326 .287 4 4 8 148 354 VAL .357 .493 .420 4 3 7 149 355 LEU .382 1.048 .789 4 4 8 150 356 GLU .327 .952 .742 4 5 9 151 357 GLN .327 1.126 .867 4 5 9 152 358 PHE .424 .901 .762 4 7 11 153 359 LEU .355 .872 .666 4 4 8 154 360 GLY .365 .000 .365 4 0 4 155 361 ALA .472 .633 .508 4 1 5 156 362 LEU .293 .555 .444 4 4 8 157 363 PRO .284 .453 .366 4 3 7 158 364 PRO .435 .518 .473 4 3 7 159 365 GLU .533 .702 .633 4 5 9 160 366 ILE .494 .479 .487 4 4 8 161 367 GLN .588 .550 .567 4 5 9 162 368 ALA .803 .778 .798 4 1 5 163 369 ARG .834 1.843 1.554 4 7 11 164 370 VAL 1.319 1.303 1.312 4 3 7 165 371 GLN 1.570 1.458 1.509 4 5 9 166 372 GLY 1.420 .000 1.420 4 0 4 167 373 GLN 1.811 2.345 2.124 4 5 9 168 374 ARG 1.467 3.255 2.743 4 7 11 169 375 PRO 1.279 1.029 1.179 4 3 7 170 376 GLY 1.149 .000 1.149 4 0 4 171 377 SER .971 1.071 1.005 4 2 6 172 378 PRO .808 .631 .737 4 3 7 173 379 GLU 1.087 1.302 1.211 4 5 9 174 380 GLU 1.127 1.630 1.428 4 5 9 175 381 ALA .915 .776 .889 4 1 5 176 382 ALA .900 .941 .909 4 1 5 177 383 ALA 1.101 1.273 1.138 4 1 5 178 384 LEU 1.025 1.273 1.156 4 4 8 179 385 VAL .981 1.023 .999 4 3 7 180 386 ASP 1.152 1.335 1.247 4 4 8 181 387 GLY 1.448 .000 1.448 4 0 4 182 388 LEU 2.152 1.801 1.985 4 4 8 183 389 ARG 2.418 1.793 2.042 4 7 11 184 390 ARG 1.497 3.914 3.250 4 7 11 185 391 GLU 2.530 4.110 3.497 4 5 9 186 392 PRO 6.015 6.699 6.317 4 3 7 187 393 GLY 6.475 .000 6.475 4 0 4 188 394 GLY 8.503 .000 8.503 3 0 3 ENDMDL Model RMS deviations: 1.6058 1.5948 1.6004 751 724 1475 MODEL 20 1 1 GLY 4.086 .000 4.086 4 0 4 2 2 SER 2.801 3.855 3.191 4 2 6 3 3 ASP 1.870 2.957 2.474 4 4 8 4 4 PRO 1.693 1.604 1.655 4 3 7 5 5 GLY 1.583 .000 1.583 4 0 4 6 6 PRO .916 1.037 .970 4 3 7 7 7 GLU 1.780 2.357 2.120 4 5 9 8 8 ALA 1.764 2.183 1.855 4 1 5 9 9 ALA 1.040 .822 1.000 4 1 5 10 10 ARG 1.056 1.437 1.311 4 7 11 11 11 LEU 1.470 2.084 1.803 4 4 8 12 12 ARG 1.140 2.063 1.783 4 7 11 13 13 PHE .800 1.080 .987 4 7 11 14 14 ARG .935 1.779 1.527 4 7 11 15 15 CYS .836 1.004 .895 4 2 6 16 16 PHE .650 .938 .844 4 7 11 17 17 HIS .575 .752 .687 4 6 10 18 18 TYR .553 .780 .712 4 8 12 19 19 GLU .682 1.015 .882 4 5 9 20 20 GLU .815 1.345 1.141 4 5 9 21 21 ALA .733 .768 .741 4 1 5 22 22 THR .711 .845 .771 4 3 7 23 23 GLY .681 .000 .681 4 0 4 24 24 PRO .706 .735 .719 4 3 7 25 25 GLN .769 1.223 1.046 4 5 9 26 26 GLU .727 1.185 1.007 4 5 9 27 27 ALA .617 .663 .627 4 1 5 28 28 LEU .530 .612 .573 4 4 8 29 29 ALA .756 .864 .779 4 1 5 30 30 GLN .637 .967 .836 4 5 9 31 31 LEU .484 .598 .544 4 4 8 32 32 ARG .529 1.163 .981 4 7 11 33 33 GLU .381 1.489 1.139 4 5 9 34 34 LEU .464 .657 .569 4 4 8 35 35 CYS .393 1.206 .767 4 2 6 36 36 ARG .311 1.106 .902 4 7 11 37 37 GLN .426 1.514 1.164 4 5 9 38 38 TRP .384 .649 .585 4 10 14 39 39 LEU .399 .664 .548 4 4 8 40 40 ARG .250 2.967 2.372 4 7 11 41 41 PRO .427 .364 .401 4 3 7 42 42 GLU .602 1.577 1.242 4 5 9 43 43 VAL .589 .461 .538 4 3 7 44 44 ARG .385 1.872 1.511 4 7 11 45 45 SER .203 .153 .188 4 2 6 46 46 LYS .264 .572 .461 4 5 9 47 47 GLU .247 1.139 .865 4 5 9 48 48 GLN .314 .827 .651 4 5 9 49 49 MET .162 .181 .172 4 4 8 50 50 LEU .215 .432 .341 4 4 8 51 51 GLU .422 2.183 1.651 4 5 9 52 52 LEU .302 .323 .312 4 4 8 53 53 LEU .381 .734 .584 4 4 8 54 54 VAL .539 .647 .588 4 3 7 55 55 LEU .451 .988 .768 4 4 8 56 56 GLU .434 1.405 1.086 4 5 9 57 57 GLN .582 .981 .828 4 5 9 58 58 PHE .585 .922 .815 4 7 11 59 59 LEU .448 1.209 .911 4 4 8 60 60 GLY .451 .000 .451 4 0 4 61 61 ALA .491 .524 .497 4 1 5 62 62 LEU .375 .384 .380 4 4 8 63 63 PRO .309 .512 .409 4 3 7 64 64 PRO .148 .237 .192 4 3 7 65 65 GLU .180 .897 .679 4 5 9 66 66 ILE .214 .367 .301 4 4 8 67 67 GLN .340 .465 .414 4 5 9 68 68 ALA .487 .416 .474 4 1 5 69 69 ARG .457 1.428 1.172 4 7 11 70 70 VAL .771 .467 .658 4 3 7 71 71 GLN 1.306 1.647 1.505 4 5 9 72 72 GLY 1.576 .000 1.576 4 0 4 73 73 GLN 1.748 1.946 1.861 4 5 9 74 74 ARG 1.305 1.901 1.709 4 7 11 75 75 PRO .606 .789 .690 4 3 7 76 76 GLY .521 .000 .521 4 0 4 77 77 SER .401 1.009 .668 4 2 6 78 78 PRO .395 .378 .387 4 3 7 79 79 GLU .431 .843 .691 4 5 9 80 80 GLU .531 1.043 .854 4 5 9 81 81 ALA .494 .496 .494 4 1 5 82 82 ALA .343 .246 .326 4 1 5 83 83 ALA .606 .649 .615 4 1 5 84 84 LEU .686 1.030 .875 4 4 8 85 85 VAL .487 .486 .486 4 3 7 86 86 ASP .424 1.190 .893 4 4 8 87 87 GLY .408 .000 .408 4 0 4 88 88 LEU .681 .771 .727 4 4 8 89 89 ARG 1.106 1.390 1.294 4 7 11 90 90 ARG 2.442 7.009 5.782 4 7 11 91 91 GLU 1.814 2.788 2.404 4 5 9 92 92 PRO 3.685 4.115 3.875 4 3 7 93 93 GLY 3.968 .000 3.968 4 0 4 94 94 GLY 5.194 .000 5.194 4 0 4 95 301 GLY 5.349 .000 5.349 4 0 4 96 302 SER 3.881 3.836 3.866 4 2 6 97 303 ASP 1.567 3.245 2.548 4 4 8 98 304 PRO .978 1.117 1.040 4 3 7 99 305 GLY 1.144 .000 1.144 4 0 4 100 306 PRO .619 .791 .698 4 3 7 101 307 GLU .974 1.950 1.592 4 5 9 102 308 ALA 1.041 1.074 1.048 4 1 5 103 309 ALA .762 .605 .733 4 1 5 104 310 ARG .810 .901 .869 4 7 11 105 311 LEU 1.158 1.530 1.357 4 4 8 106 312 ARG 1.031 1.489 1.341 4 7 11 107 313 PHE .822 1.179 1.063 4 7 11 108 314 ARG .884 1.649 1.419 4 7 11 109 315 CYS .751 .827 .777 4 2 6 110 316 PHE .362 .751 .637 4 7 11 111 317 HIS .261 .654 .532 4 6 10 112 318 TYR .263 .779 .654 4 8 12 113 319 GLU .467 .890 .733 4 5 9 114 320 GLU .604 1.292 1.044 4 5 9 115 321 ALA .700 .934 .752 4 1 5 116 322 THR .505 .533 .517 4 3 7 117 323 GLY .393 .000 .393 4 0 4 118 324 PRO .443 .403 .426 4 3 7 119 325 GLN .486 .938 .771 4 5 9 120 326 GLU .367 .870 .693 4 5 9 121 327 ALA .238 .195 .230 4 1 5 122 328 LEU .263 .468 .380 4 4 8 123 329 ALA .160 .255 .183 4 1 5 124 330 GLN .291 1.276 .971 4 5 9 125 331 LEU .370 .437 .405 4 4 8 126 332 ARG .280 .639 .537 4 7 11 127 333 GLU .448 1.190 .936 4 5 9 128 334 LEU .534 .926 .756 4 4 8 129 335 CYS .342 1.078 .682 4 2 6 130 336 ARG .247 1.398 1.125 4 7 11 131 337 GLN .417 1.132 .888 4 5 9 132 338 TRP .391 .349 .362 4 10 14 133 339 LEU .340 .597 .486 4 4 8 134 340 ARG .339 2.579 2.067 4 7 11 135 341 PRO .290 .303 .295 4 3 7 136 342 GLU .140 1.576 1.178 4 5 9 137 343 VAL .275 .283 .278 4 3 7 138 344 ARG .211 1.348 1.083 4 7 11 139 345 SER .310 .424 .352 4 2 6 140 346 LYS .367 .615 .520 4 5 9 141 347 GLU .477 1.594 1.230 4 5 9 142 348 GLN .372 1.496 1.142 4 5 9 143 349 MET .398 .370 .385 4 4 8 144 350 LEU .454 .525 .491 4 4 8 145 351 GLU .559 1.653 1.287 4 5 9 146 352 LEU .547 .393 .476 4 4 8 147 353 LEU .506 .640 .577 4 4 8 148 354 VAL .537 .545 .540 4 3 7 149 355 LEU .658 .911 .795 4 4 8 150 356 GLU .665 .906 .808 4 5 9 151 357 GLN .755 1.069 .942 4 5 9 152 358 PHE .776 .986 .915 4 7 11 153 359 LEU .696 1.412 1.113 4 4 8 154 360 GLY .678 .000 .678 4 0 4 155 361 ALA .618 .586 .612 4 1 5 156 362 LEU .597 .549 .574 4 4 8 157 363 PRO .773 .805 .787 4 3 7 158 364 PRO .991 1.190 1.081 4 3 7 159 365 GLU .932 .965 .950 4 5 9 160 366 ILE .792 .805 .799 4 4 8 161 367 GLN .786 .805 .797 4 5 9 162 368 ALA .900 1.078 .938 4 1 5 163 369 ARG .653 1.094 .957 4 7 11 164 370 VAL .722 .777 .746 4 3 7 165 371 GLN .881 1.547 1.294 4 5 9 166 372 GLY .894 .000 .894 4 0 4 167 373 GLN 1.760 1.927 1.855 4 5 9 168 374 ARG 1.739 2.419 2.196 4 7 11 169 375 PRO 1.425 .920 1.234 4 3 7 170 376 GLY 1.269 .000 1.269 4 0 4 171 377 SER .848 1.186 .974 4 2 6 172 378 PRO .750 .780 .763 4 3 7 173 379 GLU .764 1.311 1.102 4 5 9 174 380 GLU .867 1.234 1.087 4 5 9 175 381 ALA .717 .729 .719 4 1 5 176 382 ALA .501 .443 .490 4 1 5 177 383 ALA .749 .903 .782 4 1 5 178 384 LEU .752 1.179 .989 4 4 8 179 385 VAL .544 1.476 1.050 4 3 7 180 386 ASP .677 1.233 .995 4 4 8 181 387 GLY .840 .000 .840 4 0 4 182 388 LEU .952 .828 .892 4 4 8 183 389 ARG 1.946 1.999 1.980 4 7 11 184 390 ARG 1.930 5.921 4.865 4 7 11 185 391 GLU 1.709 3.076 2.560 4 5 9 186 392 PRO 3.925 3.601 3.789 4 3 7 187 393 GLY 6.187 .000 6.187 4 0 4 188 394 GLY 7.084 .000 7.084 3 0 3 ENDMDL Model RMS deviations: 1.3331 1.6314 1.4870 751 724 1475 ALL MODELS 1 1 GLY 3.784 .000 3.784 80 0 80 2 2 SER 2.700 3.810 3.114 80 40 120 3 3 ASP 1.873 2.299 2.097 80 80 160 4 4 PRO 1.298 1.509 1.393 80 60 140 5 5 GLY 1.043 .000 1.043 80 0 80 6 6 PRO .957 1.187 1.062 80 60 140 7 7 GLU 1.035 2.404 1.920 80 100 180 8 8 ALA .919 1.049 .946 80 20 100 9 9 ALA .725 .700 .720 80 20 100 10 10 ARG .715 1.239 1.078 80 140 220 11 11 LEU .825 1.362 1.126 80 80 160 12 12 ARG .756 1.348 1.168 80 140 220 13 13 PHE .648 1.035 .914 80 140 220 14 14 ARG .894 1.620 1.400 80 140 220 15 15 CYS .940 1.498 1.156 80 40 120 16 16 PHE .745 1.089 .978 80 140 220 17 17 HIS .718 1.080 .952 80 120 200 18 18 TYR .728 1.094 .988 80 160 240 19 19 GLU .772 1.187 1.024 80 100 180 20 20 GLU .902 1.477 1.254 80 100 180 21 21 ALA 1.013 1.079 1.026 80 20 100 22 22 THR .906 1.087 .988 80 60 140 23 23 GLY .829 .000 .829 80 0 80 24 24 PRO .726 .775 .748 80 60 140 25 25 GLN .755 1.398 1.157 80 100 180 26 26 GLU .737 1.191 1.014 80 100 180 27 27 ALA .607 .641 .614 80 20 100 28 28 LEU .544 .563 .553 80 80 160 29 29 ALA .600 .681 .617 80 20 100 30 30 GLN .579 1.282 1.030 80 100 180 31 31 LEU .492 .503 .498 80 80 160 32 32 ARG .497 1.675 1.370 80 140 220 33 33 GLU .563 1.553 1.217 80 100 180 34 34 LEU .530 .655 .596 80 80 160 35 35 CYS .464 .915 .650 80 40 120 36 36 ARG .482 1.271 1.055 80 140 220 37 37 GLN .581 1.244 1.005 80 100 180 38 38 TRP .576 .565 .568 80 200 280 39 39 LEU .488 .687 .596 80 80 160 40 40 ARG .429 1.694 1.376 80 140 220 41 41 PRO .511 .514 .512 80 60 140 42 42 GLU .638 2.172 1.674 80 100 180 43 43 VAL .573 .855 .708 80 60 140 44 44 ARG .447 .968 .818 80 140 220 45 45 SER .428 .863 .609 80 40 120 46 46 LYS .423 .886 .718 80 100 180 47 47 GLU .514 2.056 1.571 80 100 180 48 48 GLN .497 1.317 1.036 80 100 180 49 49 MET .389 .365 .378 80 80 160 50 50 LEU .429 .928 .723 80 80 160 51 51 GLU .503 1.964 1.502 80 100 180 52 52 LEU .433 .496 .466 80 80 160 53 53 LEU .402 .503 .456 80 80 160 54 54 VAL .425 .466 .443 80 60 140 55 55 LEU .451 1.040 .801 80 80 160 56 56 GLU .500 1.079 .871 80 100 180 57 57 GLN .531 1.094 .889 80 100 180 58 58 PHE .512 1.027 .876 80 140 220 59 59 LEU .585 1.053 .852 80 80 160 60 60 GLY .641 .000 .641 80 0 80 61 61 ALA .634 .567 .621 80 20 100 62 62 LEU .710 .665 .688 80 80 160 63 63 PRO .820 .843 .830 80 60 140 64 64 PRO .924 1.012 .963 80 60 140 65 65 GLU .935 1.554 1.315 80 100 180 66 66 ILE .851 .838 .845 80 80 160 67 67 GLN .820 .756 .785 80 100 180 68 68 ALA .962 1.009 .972 80 20 100 69 69 ARG .970 1.450 1.296 80 140 220 70 70 VAL .976 .949 .965 80 60 140 71 71 GLN 1.203 1.353 1.288 80 100 180 72 72 GLY 1.392 .000 1.392 80 0 80 73 73 GLN 1.369 1.850 1.653 80 100 180 74 74 ARG 1.268 2.317 2.000 80 140 220 75 75 PRO .997 .784 .912 80 60 140 76 76 GLY .991 .000 .991 80 0 80 77 77 SER .665 1.009 .797 80 40 120 78 78 PRO .552 .566 .558 80 60 140 79 79 GLU .659 1.216 1.007 80 100 180 80 80 GLU .757 1.240 1.053 80 100 180 81 81 ALA .697 .628 .684 80 20 100 82 82 ALA .718 .690 .712 80 20 100 83 83 ALA .847 .883 .854 80 20 100 84 84 LEU .855 1.031 .947 80 80 160 85 85 VAL .755 .850 .797 80 60 140 86 86 ASP .791 1.215 1.025 80 80 160 87 87 GLY .981 .000 .981 80 0 80 88 88 LEU .977 1.168 1.077 80 80 160 89 89 ARG 1.279 1.302 1.294 80 140 220 90 90 ARG 2.159 5.640 4.683 80 140 220 91 91 GLU 3.817 5.751 4.985 80 100 180 92 92 PRO 6.265 5.967 6.139 80 60 140 93 93 GLY 8.381 .000 8.381 80 0 80 94 94 GLY 9.482 .000 9.482 80 0 80 95 301 GLY 3.723 .000 3.723 80 0 80 96 302 SER 2.696 3.480 2.980 80 40 120 97 303 ASP 1.780 2.323 2.069 80 80 160 98 304 PRO 1.456 1.772 1.599 80 60 140 99 305 GLY 1.078 .000 1.078 80 0 80 100 306 PRO .826 .985 .898 80 60 140 101 307 GLU .910 2.107 1.684 80 100 180 102 308 ALA .847 .994 .878 80 20 100 103 309 ALA .645 .585 .634 80 20 100 104 310 ARG .639 1.347 1.141 80 140 220 105 311 LEU .690 1.195 .976 80 80 160 106 312 ARG .622 1.042 .912 80 140 220 107 313 PHE .599 1.064 .922 80 140 220 108 314 ARG .786 1.623 1.379 80 140 220 109 315 CYS .789 1.363 1.017 80 40 120 110 316 PHE .643 1.031 .909 80 140 220 111 317 HIS .627 1.040 .898 80 120 200 112 318 TYR .617 1.031 .915 80 160 240 113 319 GLU .651 1.029 .882 80 100 180 114 320 GLU .819 1.370 1.158 80 100 180 115 321 ALA .927 1.010 .944 80 20 100 116 322 THR .773 .860 .812 80 60 140 117 323 GLY .672 .000 .672 80 0 80 118 324 PRO .585 .695 .634 80 60 140 119 325 GLN .614 1.324 1.069 80 100 180 120 326 GLU .576 1.074 .888 80 100 180 121 327 ALA .501 .526 .506 80 20 100 122 328 LEU .494 .522 .508 80 80 160 123 329 ALA .547 .583 .554 80 20 100 124 330 GLN .513 1.174 .940 80 100 180 125 331 LEU .479 .486 .483 80 80 160 126 332 ARG .504 1.584 1.299 80 140 220 127 333 GLU .591 1.438 1.142 80 100 180 128 334 LEU .549 .642 .598 80 80 160 129 335 CYS .450 .944 .657 80 40 120 130 336 ARG .489 1.683 1.375 80 140 220 131 337 GLN .541 1.295 1.031 80 100 180 132 338 TRP .526 .497 .505 80 200 280 133 339 LEU .503 .685 .601 80 80 160 134 340 ARG .512 1.556 1.279 80 140 220 135 341 PRO .584 .619 .600 80 60 140 136 342 GLU .717 2.308 1.786 80 100 180 137 343 VAL .698 .877 .780 80 60 140 138 344 ARG .570 .896 .793 80 140 220 139 345 SER .510 .964 .695 80 40 120 140 346 LYS .400 1.096 .860 80 100 180 141 347 GLU .466 1.841 1.407 80 100 180 142 348 GLN .468 1.510 1.168 80 100 180 143 349 MET .364 .525 .451 80 80 160 144 350 LEU .367 .793 .618 80 80 160 145 351 GLU .421 1.719 1.312 80 100 180 146 352 LEU .378 .425 .402 80 80 160 147 353 LEU .369 .457 .415 80 80 160 148 354 VAL .419 .458 .436 80 60 140 149 355 LEU .465 1.050 .812 80 80 160 150 356 GLU .507 1.199 .956 80 100 180 151 357 GLN .562 1.095 .898 80 100 180 152 358 PHE .582 1.040 .901 80 140 220 153 359 LEU .684 1.118 .927 80 80 160 154 360 GLY .775 .000 .775 80 0 80 155 361 ALA .737 .656 .721 80 20 100 156 362 LEU .792 .717 .755 80 80 160 157 363 PRO .949 .964 .955 80 60 140 158 364 PRO 1.085 1.190 1.131 80 60 140 159 365 GLU 1.102 1.583 1.390 80 100 180 160 366 ILE .944 .926 .935 80 80 160 161 367 GLN .912 .882 .896 80 100 180 162 368 ALA 1.099 1.183 1.116 80 20 100 163 369 ARG 1.068 1.832 1.597 80 140 220 164 370 VAL 1.028 .972 1.004 80 60 140 165 371 GLN 1.278 1.381 1.336 80 100 180 166 372 GLY 1.468 .000 1.468 80 0 80 167 373 GLN 1.482 2.088 1.843 80 100 180 168 374 ARG 1.382 2.334 2.040 80 140 220 169 375 PRO 1.210 .966 1.112 80 60 140 170 376 GLY 1.122 .000 1.122 80 0 80 171 377 SER .774 1.215 .944 80 40 120 172 378 PRO .597 .542 .574 80 60 140 173 379 GLU .778 1.278 1.085 80 100 180 174 380 GLU .889 1.366 1.178 80 100 180 175 381 ALA .794 .715 .779 80 20 100 176 382 ALA .806 .741 .793 80 20 100 177 383 ALA .934 1.024 .953 80 20 100 178 384 LEU .951 1.112 1.034 80 80 160 179 385 VAL .860 1.144 .991 80 60 140 180 386 ASP .927 1.290 1.123 80 80 160 181 387 GLY 1.084 .000 1.084 80 0 80 182 388 LEU 1.189 1.187 1.188 80 80 160 183 389 ARG 1.538 1.498 1.513 80 140 220 184 390 ARG 2.204 5.791 4.807 80 140 220 185 391 GLU 3.692 5.475 4.765 80 100 180 186 392 PRO 6.180 5.904 6.063 80 60 140 187 393 GLY 8.136 .000 8.136 80 0 80 188 394 GLY 9.595 .000 9.595 60 0 60 ENDMDL Overall RMS deviation: 1.7377 1.7318 1.7348 15020 14480 29500