MODEL 1 1 1 GLY 1.142 .000 1.142 4 0 4 2 2 SER .906 2.314 1.527 4 2 6 3 3 ASP .732 1.416 1.127 4 4 8 4 4 PRO 1.096 .899 1.016 4 3 7 5 5 GLY .918 .000 .918 4 0 4 6 6 PRO .929 1.092 1.002 4 3 7 7 7 GLU 1.278 1.350 1.319 4 5 9 8 8 ALA 1.169 1.209 1.178 4 1 5 9 9 ALA .829 .663 .799 4 1 5 10 10 ARG .729 .910 .849 4 7 11 11 11 LEU .824 3.500 2.542 4 4 8 12 12 ARG .808 1.418 1.232 4 7 11 13 13 PHE .744 1.128 1.006 4 7 11 14 14 ARG .692 1.156 1.012 4 7 11 15 15 CYS .887 .847 .874 4 2 6 16 16 PHE .887 1.280 1.153 4 7 11 17 17 HIS .896 1.445 1.255 4 6 10 18 18 TYR .862 1.066 1.002 4 8 12 19 19 GLU .960 1.086 1.032 4 5 9 20 20 GLU .994 1.747 1.461 4 5 9 21 21 ALA 1.005 1.081 1.021 4 1 5 22 22 THR .882 .843 .866 4 3 7 23 23 GLY .760 .000 .760 4 0 4 24 24 PRO .647 .736 .687 4 3 7 25 25 GLN .513 .608 .568 4 5 9 26 26 GLU .575 1.171 .953 4 5 9 27 27 ALA .637 .710 .652 4 1 5 28 28 LEU .496 .439 .469 4 4 8 29 29 ALA .462 .443 .458 4 1 5 30 30 GLN .556 1.223 .984 4 5 9 31 31 LEU .598 .656 .628 4 4 8 32 32 ARG .548 1.106 .942 4 7 11 33 33 GLU .599 .807 .722 4 5 9 34 34 LEU .541 .610 .576 4 4 8 35 35 CYS .461 1.150 .763 4 2 6 36 36 ARG .470 .919 .786 4 7 11 37 37 GLN .556 .512 .532 4 5 9 38 38 TRP .562 .586 .579 4 10 14 39 39 LEU .535 .505 .520 4 4 8 40 40 ARG .514 1.325 1.102 4 7 11 41 41 PRO .485 .486 .485 4 3 7 42 42 GLU .513 2.188 1.667 4 5 9 43 43 VAL .530 .539 .534 4 3 7 44 44 ARG .501 .891 .772 4 7 11 45 45 SER .293 .893 .569 4 2 6 46 46 LYS .227 1.115 .844 4 5 9 47 47 GLU .186 2.001 1.497 4 5 9 48 48 GLN .269 1.013 .776 4 5 9 49 49 MET .343 .533 .449 4 4 8 50 50 LEU .363 .455 .411 4 4 8 51 51 GLU .434 1.474 1.136 4 5 9 52 52 LEU .427 .464 .446 4 4 8 53 53 LEU .414 .415 .415 4 4 8 54 54 VAL .453 .465 .458 4 3 7 55 55 LEU .458 1.195 .905 4 4 8 56 56 GLU .519 1.622 1.257 4 5 9 57 57 GLN .611 .969 .830 4 5 9 58 58 PHE .611 1.245 1.060 4 7 11 59 59 LEU .615 1.154 .924 4 4 8 60 60 GLY .726 .000 .726 4 0 4 61 61 ALA .864 .843 .860 4 1 5 62 62 LEU .876 .783 .831 4 4 8 63 63 PRO .963 1.024 .990 4 3 7 64 64 PRO .983 1.095 1.033 4 3 7 65 65 GLU .969 1.350 1.196 4 5 9 66 66 ILE .860 .948 .905 4 4 8 67 67 GLN .724 .744 .735 4 5 9 68 68 ALA .718 .759 .727 4 1 5 69 69 ARG .709 1.036 .930 4 7 11 70 70 VAL .638 .614 .628 4 3 7 71 71 GLN .678 .803 .750 4 5 9 72 72 GLY .694 .000 .694 4 0 4 73 73 GLN .552 .914 .774 4 5 9 74 74 ARG .348 1.576 1.275 4 7 11 75 75 PRO .170 .212 .189 4 3 7 76 76 GLY .253 .000 .253 4 0 4 77 77 SER .203 .184 .197 4 2 6 78 78 PRO .286 .271 .279 4 3 7 79 79 GLU .430 .661 .570 4 5 9 80 80 GLU .484 .960 .785 4 5 9 81 81 ALA .520 .397 .498 4 1 5 82 82 ALA .649 .577 .635 4 1 5 83 83 ALA .795 .743 .785 4 1 5 84 84 LEU .775 .655 .718 4 4 8 85 85 VAL .865 .721 .806 4 3 7 86 86 ASP 1.059 1.325 1.199 4 4 8 87 87 GLY .930 .000 .930 4 0 4 88 88 LEU .805 .911 .860 4 4 8 89 89 ARG 1.798 1.712 1.744 4 7 11 90 90 ARG 1.886 5.180 4.286 4 7 11 91 91 GLU 4.569 4.838 4.720 4 5 9 92 92 PRO 8.435 7.866 8.196 4 3 7 93 93 GLY 11.712 .000 11.712 4 0 4 94 94 GLY 11.408 .000 11.408 4 0 4 95 301 GLY 1.144 .000 1.144 4 0 4 96 302 SER .905 2.309 1.524 4 2 6 97 303 ASP .730 1.414 1.126 4 4 8 98 304 PRO 1.087 .886 1.006 4 3 7 99 305 GLY .919 .000 .919 4 0 4 100 306 PRO .942 1.106 1.015 4 3 7 101 307 GLU 1.293 1.355 1.328 4 5 9 102 308 ALA 1.180 1.221 1.188 4 1 5 103 309 ALA .839 .677 .809 4 1 5 104 310 ARG .731 .919 .855 4 7 11 105 311 LEU .827 3.511 2.551 4 4 8 106 312 ARG .804 1.355 1.185 4 7 11 107 313 PHE .735 1.191 1.048 4 7 11 108 314 ARG .689 1.044 .931 4 7 11 109 315 CYS .889 .844 .874 4 2 6 110 316 PHE .887 1.100 1.028 4 7 11 111 317 HIS .906 1.510 1.303 4 6 10 112 318 TYR .870 1.073 1.010 4 8 12 113 319 GLU .964 1.077 1.028 4 5 9 114 320 GLU .998 1.757 1.468 4 5 9 115 321 ALA 1.002 1.072 1.016 4 1 5 116 322 THR .893 .851 .875 4 3 7 117 323 GLY .776 .000 .776 4 0 4 118 324 PRO .682 .749 .711 4 3 7 119 325 GLN .593 .660 .631 4 5 9 120 326 GLU .646 1.095 .923 4 5 9 121 327 ALA .661 .728 .675 4 1 5 122 328 LEU .508 .437 .474 4 4 8 123 329 ALA .464 .436 .459 4 1 5 124 330 GLN .573 1.167 .950 4 5 9 125 331 LEU .590 .650 .621 4 4 8 126 332 ARG .545 1.148 .973 4 7 11 127 333 GLU .603 .783 .709 4 5 9 128 334 LEU .552 .621 .587 4 4 8 129 335 CYS .459 1.135 .755 4 2 6 130 336 ARG .454 .791 .688 4 7 11 131 337 GLN .547 .540 .543 4 5 9 132 338 TRP .562 .592 .584 4 10 14 133 339 LEU .545 .482 .514 4 4 8 134 340 ARG .468 1.382 1.138 4 7 11 135 341 PRO .431 .442 .436 4 3 7 136 342 GLU .474 2.144 1.629 4 5 9 137 343 VAL .465 .493 .477 4 3 7 138 344 ARG .365 .815 .687 4 7 11 139 345 SER .241 .875 .542 4 2 6 140 346 LYS .214 1.095 .828 4 5 9 141 347 GLU .216 1.984 1.486 4 5 9 142 348 GLN .190 .995 .752 4 5 9 143 349 MET .294 .437 .372 4 4 8 144 350 LEU .335 .456 .400 4 4 8 145 351 GLU .465 1.578 1.216 4 5 9 146 352 LEU .443 .527 .487 4 4 8 147 353 LEU .383 .427 .406 4 4 8 148 354 VAL .445 .457 .450 4 3 7 149 355 LEU .454 .947 .743 4 4 8 150 356 GLU .517 1.587 1.232 4 5 9 151 357 GLN .607 .983 .837 4 5 9 152 358 PHE .611 1.330 1.123 4 7 11 153 359 LEU .606 1.234 .972 4 4 8 154 360 GLY .699 .000 .699 4 0 4 155 361 ALA .860 .836 .855 4 1 5 156 362 LEU .870 .761 .817 4 4 8 157 363 PRO .959 1.016 .984 4 3 7 158 364 PRO .983 1.092 1.031 4 3 7 159 365 GLU .969 1.340 1.189 4 5 9 160 366 ILE .858 .941 .900 4 4 8 161 367 GLN .726 .748 .738 4 5 9 162 368 ALA .721 .768 .731 4 1 5 163 369 ARG .710 1.044 .936 4 7 11 164 370 VAL .627 .601 .616 4 3 7 165 371 GLN .683 .816 .760 4 5 9 166 372 GLY .696 .000 .696 4 0 4 167 373 GLN .553 .921 .779 4 5 9 168 374 ARG .353 1.391 1.130 4 7 11 169 375 PRO .176 .218 .195 4 3 7 170 376 GLY .248 .000 .248 4 0 4 171 377 SER .199 .186 .195 4 2 6 172 378 PRO .284 .277 .281 4 3 7 173 379 GLU .433 .660 .570 4 5 9 174 380 GLU .487 .972 .794 4 5 9 175 381 ALA .528 .395 .504 4 1 5 176 382 ALA .666 .589 .652 4 1 5 177 383 ALA .821 .769 .811 4 1 5 178 384 LEU .793 .678 .737 4 4 8 179 385 VAL .898 .814 .863 4 3 7 180 386 ASP 1.065 1.286 1.181 4 4 8 181 387 GLY .944 .000 .944 4 0 4 182 388 LEU .814 .900 .858 4 4 8 183 389 ARG 1.808 1.692 1.735 4 7 11 184 390 ARG 1.881 5.186 4.290 4 7 11 185 391 GLU 4.569 4.824 4.712 4 5 9 186 392 PRO 8.438 7.875 8.201 4 3 7 187 393 GLY 11.717 .000 11.717 4 0 4 188 394 GLY 11.417 .000 11.417 3 0 3 ENDMDL Model RMS deviations: 2.0474 1.6190 1.8495 751 724 1475 MODEL 2 1 1 GLY 2.662 .000 2.662 4 0 4 2 2 SER 1.962 1.765 1.899 4 2 6 3 3 ASP 2.136 2.947 2.574 4 4 8 4 4 PRO 1.831 1.918 1.869 4 3 7 5 5 GLY 1.513 .000 1.513 4 0 4 6 6 PRO .918 1.340 1.118 4 3 7 7 7 GLU .748 1.990 1.565 4 5 9 8 8 ALA .425 .427 .425 4 1 5 9 9 ALA .278 .242 .271 4 1 5 10 10 ARG .278 .652 .546 4 7 11 11 11 LEU .323 .580 .469 4 4 8 12 12 ARG .304 .540 .468 4 7 11 13 13 PHE .227 .937 .760 4 7 11 14 14 ARG .295 2.107 1.690 4 7 11 15 15 CYS .376 .668 .493 4 2 6 16 16 PHE .317 1.019 .835 4 7 11 17 17 HIS .491 1.347 1.088 4 6 10 18 18 TYR .262 1.044 .866 4 8 12 19 19 GLU .187 .887 .673 4 5 9 20 20 GLU .317 .861 .675 4 5 9 21 21 ALA .445 .522 .462 4 1 5 22 22 THR .402 .375 .391 4 3 7 23 23 GLY .304 .000 .304 4 0 4 24 24 PRO .270 .339 .302 4 3 7 25 25 GLN .361 .577 .493 4 5 9 26 26 GLU .313 .729 .582 4 5 9 27 27 ALA .246 .167 .232 4 1 5 28 28 LEU .242 .279 .261 4 4 8 29 29 ALA .342 .438 .363 4 1 5 30 30 GLN .284 1.072 .821 4 5 9 31 31 LEU .175 .104 .144 4 4 8 32 32 ARG .140 1.434 1.147 4 7 11 33 33 GLU .403 1.115 .874 4 5 9 34 34 LEU .402 .481 .443 4 4 8 35 35 CYS .177 1.062 .630 4 2 6 36 36 ARG .200 .899 .727 4 7 11 37 37 GLN .251 .372 .324 4 5 9 38 38 TRP .215 .212 .213 4 10 14 39 39 LEU .189 .178 .184 4 4 8 40 40 ARG .178 1.434 1.149 4 7 11 41 41 PRO .150 .152 .151 4 3 7 42 42 GLU .138 1.988 1.485 4 5 9 43 43 VAL .127 .262 .196 4 3 7 44 44 ARG .223 .476 .403 4 7 11 45 45 SER .118 .289 .193 4 2 6 46 46 LYS .234 .496 .401 4 5 9 47 47 GLU .221 1.717 1.288 4 5 9 48 48 GLN .282 .718 .568 4 5 9 49 49 MET .262 .390 .332 4 4 8 50 50 LEU .123 .272 .211 4 4 8 51 51 GLU .103 1.485 1.109 4 5 9 52 52 LEU .118 .688 .494 4 4 8 53 53 LEU .144 .137 .141 4 4 8 54 54 VAL .134 .118 .127 4 3 7 55 55 LEU .262 1.164 .844 4 4 8 56 56 GLU .301 1.840 1.386 4 5 9 57 57 GLN .279 .743 .584 4 5 9 58 58 PHE .288 1.129 .917 4 7 11 59 59 LEU .635 .998 .836 4 4 8 60 60 GLY .707 .000 .707 4 0 4 61 61 ALA .458 .352 .439 4 1 5 62 62 LEU .535 .507 .521 4 4 8 63 63 PRO .687 .513 .618 4 3 7 64 64 PRO .968 .949 .960 4 3 7 65 65 GLU .930 1.365 1.191 4 5 9 66 66 ILE .851 .602 .737 4 4 8 67 67 GLN .974 .935 .953 4 5 9 68 68 ALA 1.236 1.223 1.234 4 1 5 69 69 ARG 1.220 2.086 1.819 4 7 11 70 70 VAL 1.272 1.191 1.238 4 3 7 71 71 GLN 1.392 1.276 1.329 4 5 9 72 72 GLY 1.443 .000 1.443 4 0 4 73 73 GLN 1.399 1.892 1.691 4 5 9 74 74 ARG 1.215 1.507 1.408 4 7 11 75 75 PRO 1.061 .992 1.032 4 3 7 76 76 GLY .770 .000 .770 4 0 4 77 77 SER .660 .906 .751 4 2 6 78 78 PRO .383 .238 .329 4 3 7 79 79 GLU .629 .951 .824 4 5 9 80 80 GLU .813 1.240 1.072 4 5 9 81 81 ALA .704 .644 .693 4 1 5 82 82 ALA .657 .533 .634 4 1 5 83 83 ALA 1.010 1.135 1.037 4 1 5 84 84 LEU 1.072 1.142 1.108 4 4 8 85 85 VAL .804 .619 .730 4 3 7 86 86 ASP .943 1.254 1.109 4 4 8 87 87 GLY 1.249 .000 1.249 4 0 4 88 88 LEU .878 1.468 1.209 4 4 8 89 89 ARG .728 1.526 1.294 4 7 11 90 90 ARG 1.730 6.157 5.021 4 7 11 91 91 GLU 2.735 4.921 4.096 4 5 9 92 92 PRO 5.084 5.120 5.099 4 3 7 93 93 GLY 7.586 .000 7.586 4 0 4 94 94 GLY 9.974 .000 9.974 4 0 4 95 301 GLY 2.656 .000 2.656 4 0 4 96 302 SER 1.958 1.761 1.894 4 2 6 97 303 ASP 2.136 2.947 2.573 4 4 8 98 304 PRO 1.831 1.917 1.869 4 3 7 99 305 GLY 1.515 .000 1.515 4 0 4 100 306 PRO .918 1.336 1.116 4 3 7 101 307 GLU .752 1.985 1.562 4 5 9 102 308 ALA .439 .439 .439 4 1 5 103 309 ALA .284 .255 .278 4 1 5 104 310 ARG .277 .643 .540 4 7 11 105 311 LEU .322 .589 .475 4 4 8 106 312 ARG .297 .470 .416 4 7 11 107 313 PHE .215 1.014 .819 4 7 11 108 314 ARG .283 2.255 1.807 4 7 11 109 315 CYS .374 .659 .488 4 2 6 110 316 PHE .314 .769 .642 4 7 11 111 317 HIS .490 1.263 1.026 4 6 10 112 318 TYR .260 1.046 .867 4 8 12 113 319 GLU .185 .890 .675 4 5 9 114 320 GLU .325 .871 .684 4 5 9 115 321 ALA .451 .537 .469 4 1 5 116 322 THR .400 .377 .390 4 3 7 117 323 GLY .306 .000 .306 4 0 4 118 324 PRO .270 .343 .303 4 3 7 119 325 GLN .356 .561 .481 4 5 9 120 326 GLU .311 .684 .551 4 5 9 121 327 ALA .229 .147 .215 4 1 5 122 328 LEU .241 .280 .262 4 4 8 123 329 ALA .347 .457 .372 4 1 5 124 330 GLN .287 .789 .619 4 5 9 125 331 LEU .174 .092 .139 4 4 8 126 332 ARG .129 1.418 1.134 4 7 11 127 333 GLU .389 1.130 .882 4 5 9 128 334 LEU .394 .487 .443 4 4 8 129 335 CYS .174 1.044 .619 4 2 6 130 336 ARG .215 .717 .587 4 7 11 131 337 GLN .246 .394 .336 4 5 9 132 338 TRP .207 .201 .203 4 10 14 133 339 LEU .172 .170 .171 4 4 8 134 340 ARG .165 1.409 1.129 4 7 11 135 341 PRO .148 .149 .148 4 3 7 136 342 GLU .133 1.978 1.477 4 5 9 137 343 VAL .125 .191 .157 4 3 7 138 344 ARG .208 .417 .355 4 7 11 139 345 SER .135 .301 .206 4 2 6 140 346 LYS .215 .573 .451 4 5 9 141 347 GLU .236 1.704 1.280 4 5 9 142 348 GLN .294 .728 .577 4 5 9 143 349 MET .262 .330 .298 4 4 8 144 350 LEU .123 .303 .232 4 4 8 145 351 GLU .109 1.514 1.131 4 5 9 146 352 LEU .124 .724 .520 4 4 8 147 353 LEU .152 .146 .149 4 4 8 148 354 VAL .141 .122 .133 4 3 7 149 355 LEU .270 .911 .672 4 4 8 150 356 GLU .311 1.926 1.450 4 5 9 151 357 GLN .278 .748 .588 4 5 9 152 358 PHE .283 1.216 .985 4 7 11 153 359 LEU .619 .930 .790 4 4 8 154 360 GLY .699 .000 .699 4 0 4 155 361 ALA .446 .331 .426 4 1 5 156 362 LEU .525 .485 .505 4 4 8 157 363 PRO .684 .514 .617 4 3 7 158 364 PRO .968 .952 .961 4 3 7 159 365 GLU .933 1.375 1.199 4 5 9 160 366 ILE .846 .599 .733 4 4 8 161 367 GLN .969 .927 .946 4 5 9 162 368 ALA 1.237 1.221 1.234 4 1 5 163 369 ARG 1.221 2.098 1.828 4 7 11 164 370 VAL 1.278 1.212 1.250 4 3 7 165 371 GLN 1.397 1.295 1.341 4 5 9 166 372 GLY 1.442 .000 1.442 4 0 4 167 373 GLN 1.394 1.941 1.719 4 5 9 168 374 ARG 1.209 1.599 1.469 4 7 11 169 375 PRO 1.054 .998 1.030 4 3 7 170 376 GLY .774 .000 .774 4 0 4 171 377 SER .656 .895 .744 4 2 6 172 378 PRO .388 .247 .335 4 3 7 173 379 GLU .631 .951 .824 4 5 9 174 380 GLU .814 1.242 1.073 4 5 9 175 381 ALA .716 .650 .703 4 1 5 176 382 ALA .666 .541 .643 4 1 5 177 383 ALA 1.022 1.143 1.047 4 1 5 178 384 LEU 1.074 1.160 1.118 4 4 8 179 385 VAL .833 .725 .789 4 3 7 180 386 ASP .950 1.294 1.135 4 4 8 181 387 GLY 1.248 .000 1.248 4 0 4 182 388 LEU .893 1.474 1.219 4 4 8 183 389 ARG .730 1.495 1.271 4 7 11 184 390 ARG 1.733 6.158 5.022 4 7 11 185 391 GLU 2.738 4.926 4.100 4 5 9 186 392 PRO 5.085 5.124 5.101 4 3 7 187 393 GLY 7.585 .000 7.585 4 0 4 188 394 GLY 9.749 .000 9.749 3 0 3 ENDMDL Model RMS deviations: 1.5785 1.5986 1.5884 751 724 1475 MODEL 3 1 1 GLY 1.727 .000 1.727 4 0 4 2 2 SER .940 2.054 1.413 4 2 6 3 3 ASP .215 1.455 1.040 4 4 8 4 4 PRO .388 .470 .425 4 3 7 5 5 GLY .331 .000 .331 4 0 4 6 6 PRO .447 .389 .423 4 3 7 7 7 GLU .521 .974 .805 4 5 9 8 8 ALA .448 .391 .437 4 1 5 9 9 ALA .597 .596 .597 4 1 5 10 10 ARG .674 1.065 .942 4 7 11 11 11 LEU .703 .591 .649 4 4 8 12 12 ARG .802 .688 .731 4 7 11 13 13 PHE .601 1.032 .900 4 7 11 14 14 ARG .604 1.798 1.480 4 7 11 15 15 CYS .421 .665 .515 4 2 6 16 16 PHE .421 .891 .754 4 7 11 17 17 HIS .192 .915 .719 4 6 10 18 18 TYR .269 1.087 .901 4 8 12 19 19 GLU .366 .737 .602 4 5 9 20 20 GLU .567 .854 .740 4 5 9 21 21 ALA .626 .699 .641 4 1 5 22 22 THR .518 .492 .507 4 3 7 23 23 GLY .415 .000 .415 4 0 4 24 24 PRO .341 .408 .371 4 3 7 25 25 GLN .354 1.052 .819 4 5 9 26 26 GLU .405 .724 .603 4 5 9 27 27 ALA .438 .338 .420 4 1 5 28 28 LEU .457 .357 .410 4 4 8 29 29 ALA .574 .568 .573 4 1 5 30 30 GLN .634 1.375 1.109 4 5 9 31 31 LEU .601 .370 .499 4 4 8 32 32 ARG .815 1.297 1.145 4 7 11 33 33 GLU .983 2.386 1.895 4 5 9 34 34 LEU .976 .928 .952 4 4 8 35 35 CYS .663 1.222 .890 4 2 6 36 36 ARG .723 .941 .868 4 7 11 37 37 GLN .887 1.078 .998 4 5 9 38 38 TRP .833 .777 .793 4 10 14 39 39 LEU .739 .617 .681 4 4 8 40 40 ARG .764 2.086 1.727 4 7 11 41 41 PRO .675 .699 .686 4 3 7 42 42 GLU .767 2.662 2.049 4 5 9 43 43 VAL .734 .931 .824 4 3 7 44 44 ARG .601 1.264 1.071 4 7 11 45 45 SER .498 1.217 .812 4 2 6 46 46 LYS .347 .630 .524 4 5 9 47 47 GLU .421 2.098 1.588 4 5 9 48 48 GLN .431 1.397 1.081 4 5 9 49 49 MET .401 .522 .466 4 4 8 50 50 LEU .448 .737 .610 4 4 8 51 51 GLU .424 1.522 1.169 4 5 9 52 52 LEU .434 .498 .467 4 4 8 53 53 LEU .392 .420 .407 4 4 8 54 54 VAL .396 .475 .431 4 3 7 55 55 LEU .418 .921 .715 4 4 8 56 56 GLU .454 2.564 1.935 4 5 9 57 57 GLN .434 .857 .701 4 5 9 58 58 PHE .401 .809 .689 4 7 11 59 59 LEU .419 1.232 .920 4 4 8 60 60 GLY .449 .000 .449 4 0 4 61 61 ALA .450 .462 .452 4 1 5 62 62 LEU .434 .393 .414 4 4 8 63 63 PRO .477 .446 .464 4 3 7 64 64 PRO .580 .586 .583 4 3 7 65 65 GLU .574 .978 .824 4 5 9 66 66 ILE .511 .465 .488 4 4 8 67 67 GLN .503 .492 .497 4 5 9 68 68 ALA .616 .644 .622 4 1 5 69 69 ARG .605 1.422 1.192 4 7 11 70 70 VAL .576 .644 .606 4 3 7 71 71 GLN .554 .399 .474 4 5 9 72 72 GLY .534 .000 .534 4 0 4 73 73 GLN .434 1.346 1.044 4 5 9 74 74 ARG .409 .780 .669 4 7 11 75 75 PRO .408 .479 .440 4 3 7 76 76 GLY .377 .000 .377 4 0 4 77 77 SER .287 .581 .409 4 2 6 78 78 PRO .282 .304 .292 4 3 7 79 79 GLU .410 .951 .760 4 5 9 80 80 GLU .477 .955 .780 4 5 9 81 81 ALA .407 .337 .394 4 1 5 82 82 ALA .483 .445 .476 4 1 5 83 83 ALA .686 .702 .689 4 1 5 84 84 LEU .707 .652 .680 4 4 8 85 85 VAL .548 .353 .474 4 3 7 86 86 ASP .719 1.040 .894 4 4 8 87 87 GLY .853 .000 .853 4 0 4 88 88 LEU .930 .843 .887 4 4 8 89 89 ARG 1.308 .969 1.104 4 7 11 90 90 ARG 1.887 5.472 4.511 4 7 11 91 91 GLU 3.421 5.800 4.888 4 5 9 92 92 PRO 6.588 6.357 6.490 4 3 7 93 93 GLY 8.263 .000 8.263 4 0 4 94 94 GLY 10.230 .000 10.230 4 0 4 95 301 GLY 1.722 .000 1.722 4 0 4 96 302 SER .937 2.056 1.412 4 2 6 97 303 ASP .211 1.450 1.036 4 4 8 98 304 PRO .381 .459 .416 4 3 7 99 305 GLY .329 .000 .329 4 0 4 100 306 PRO .443 .384 .419 4 3 7 101 307 GLU .521 .968 .801 4 5 9 102 308 ALA .433 .376 .422 4 1 5 103 309 ALA .586 .583 .586 4 1 5 104 310 ARG .658 1.051 .928 4 7 11 105 311 LEU .723 .600 .664 4 4 8 106 312 ARG .844 .673 .740 4 7 11 107 313 PHE .616 .953 .846 4 7 11 108 314 ARG .669 1.727 1.436 4 7 11 109 315 CYS .475 .658 .543 4 2 6 110 316 PHE .521 .847 .745 4 7 11 111 317 HIS .169 .978 .765 4 6 10 112 318 TYR .264 1.089 .902 4 8 12 113 319 GLU .364 .719 .588 4 5 9 114 320 GLU .558 .857 .739 4 5 9 115 321 ALA .614 .671 .626 4 1 5 116 322 THR .511 .479 .498 4 3 7 117 323 GLY .418 .000 .418 4 0 4 118 324 PRO .345 .410 .374 4 3 7 119 325 GLN .365 1.049 .819 4 5 9 120 326 GLU .402 .733 .608 4 5 9 121 327 ALA .416 .324 .399 4 1 5 122 328 LEU .456 .350 .406 4 4 8 123 329 ALA .582 .576 .581 4 1 5 124 330 GLN .649 1.277 1.046 4 5 9 125 331 LEU .600 .385 .504 4 4 8 126 332 ARG .817 1.297 1.146 4 7 11 127 333 GLU .982 2.379 1.890 4 5 9 128 334 LEU .976 .905 .941 4 4 8 129 335 CYS .651 1.249 .896 4 2 6 130 336 ARG .681 .989 .890 4 7 11 131 337 GLN .872 1.068 .986 4 5 9 132 338 TRP .817 .777 .789 4 10 14 133 339 LEU .695 .620 .658 4 4 8 134 340 ARG .710 1.839 1.528 4 7 11 135 341 PRO .659 .623 .644 4 3 7 136 342 GLU .759 2.616 2.014 4 5 9 137 343 VAL .765 .932 .841 4 3 7 138 344 ARG .634 1.079 .942 4 7 11 139 345 SER .515 1.345 .883 4 2 6 140 346 LYS .319 1.524 1.156 4 5 9 141 347 GLU .396 2.104 1.590 4 5 9 142 348 GLN .464 1.496 1.157 4 5 9 143 349 MET .404 .578 .499 4 4 8 144 350 LEU .441 .797 .644 4 4 8 145 351 GLU .430 1.582 1.214 4 5 9 146 352 LEU .432 .495 .464 4 4 8 147 353 LEU .393 .425 .409 4 4 8 148 354 VAL .394 .480 .433 4 3 7 149 355 LEU .407 1.161 .870 4 4 8 150 356 GLU .449 2.528 1.908 4 5 9 151 357 GLN .428 .866 .705 4 5 9 152 358 PHE .402 .718 .622 4 7 11 153 359 LEU .483 .740 .625 4 4 8 154 360 GLY .458 .000 .458 4 0 4 155 361 ALA .493 .507 .496 4 1 5 156 362 LEU .462 .423 .443 4 4 8 157 363 PRO .496 .467 .484 4 3 7 158 364 PRO .585 .601 .592 4 3 7 159 365 GLU .569 .978 .821 4 5 9 160 366 ILE .506 .464 .485 4 4 8 161 367 GLN .494 .492 .493 4 5 9 162 368 ALA .604 .609 .605 4 1 5 163 369 ARG .595 1.406 1.178 4 7 11 164 370 VAL .578 .693 .630 4 3 7 165 371 GLN .546 .348 .447 4 5 9 166 372 GLY .521 .000 .521 4 0 4 167 373 GLN .431 1.395 1.079 4 5 9 168 374 ARG .422 .807 .692 4 7 11 169 375 PRO .429 .498 .460 4 3 7 170 376 GLY .383 .000 .383 4 0 4 171 377 SER .293 .587 .415 4 2 6 172 378 PRO .275 .301 .286 4 3 7 173 379 GLU .416 .965 .771 4 5 9 174 380 GLU .487 .980 .799 4 5 9 175 381 ALA .399 .322 .385 4 1 5 176 382 ALA .483 .448 .476 4 1 5 177 383 ALA .691 .717 .696 4 1 5 178 384 LEU .715 .653 .685 4 4 8 179 385 VAL .539 .525 .533 4 3 7 180 386 ASP .705 .985 .857 4 4 8 181 387 GLY .872 .000 .872 4 0 4 182 388 LEU .949 .856 .904 4 4 8 183 389 ARG 1.321 .979 1.116 4 7 11 184 390 ARG 1.891 5.497 4.531 4 7 11 185 391 GLU 3.398 5.788 4.872 4 5 9 186 392 PRO 6.561 6.333 6.464 4 3 7 187 393 GLY 8.237 .000 8.237 4 0 4 188 394 GLY 9.958 .000 9.958 3 0 3 ENDMDL Model RMS deviations: 1.6267 1.6025 1.6149 751 724 1475 MODEL 4 1 1 GLY 4.003 .000 4.003 4 0 4 2 2 SER 2.483 2.677 2.549 4 2 6 3 3 ASP 1.001 1.306 1.164 4 4 8 4 4 PRO .552 .350 .476 4 3 7 5 5 GLY .381 .000 .381 4 0 4 6 6 PRO .296 .365 .327 4 3 7 7 7 GLU .320 1.739 1.313 4 5 9 8 8 ALA .364 .482 .391 4 1 5 9 9 ALA .254 .263 .256 4 1 5 10 10 ARG .215 .669 .550 4 7 11 11 11 LEU .192 .440 .340 4 4 8 12 12 ARG .158 1.731 1.384 4 7 11 13 13 PHE .231 .922 .748 4 7 11 14 14 ARG .262 1.636 1.314 4 7 11 15 15 CYS .221 .521 .351 4 2 6 16 16 PHE .222 1.025 .828 4 7 11 17 17 HIS .230 1.321 1.034 4 6 10 18 18 TYR .162 .701 .580 4 8 12 19 19 GLU .110 .748 .562 4 5 9 20 20 GLU .078 .874 .654 4 5 9 21 21 ALA .163 .166 .163 4 1 5 22 22 THR .210 .193 .203 4 3 7 23 23 GLY .080 .000 .080 4 0 4 24 24 PRO .143 .136 .140 4 3 7 25 25 GLN .147 1.115 .837 4 5 9 26 26 GLU .125 .602 .457 4 5 9 27 27 ALA .184 .144 .177 4 1 5 28 28 LEU .244 .189 .218 4 4 8 29 29 ALA .346 .334 .343 4 1 5 30 30 GLN .361 .982 .771 4 5 9 31 31 LEU .364 .252 .313 4 4 8 32 32 ARG .451 1.075 .900 4 7 11 33 33 GLU .395 2.233 1.685 4 5 9 34 34 LEU .309 .539 .439 4 4 8 35 35 CYS .159 1.028 .608 4 2 6 36 36 ARG .289 .453 .401 4 7 11 37 37 GLN .347 .576 .488 4 5 9 38 38 TRP .237 .193 .207 4 10 14 39 39 LEU .178 .262 .224 4 4 8 40 40 ARG .252 1.990 1.595 4 7 11 41 41 PRO .240 .279 .257 4 3 7 42 42 GLU .408 1.511 1.158 4 5 9 43 43 VAL .641 1.800 1.274 4 3 7 44 44 ARG .198 .530 .439 4 7 11 45 45 SER .189 .265 .217 4 2 6 46 46 LYS .252 .550 .443 4 5 9 47 47 GLU .223 1.597 1.200 4 5 9 48 48 GLN .326 1.308 .999 4 5 9 49 49 MET .300 .397 .352 4 4 8 50 50 LEU .204 .507 .386 4 4 8 51 51 GLU .213 1.125 .850 4 5 9 52 52 LEU .084 .284 .209 4 4 8 53 53 LEU .146 .240 .199 4 4 8 54 54 VAL .126 .216 .171 4 3 7 55 55 LEU .083 1.034 .734 4 4 8 56 56 GLU .174 1.408 1.056 4 5 9 57 57 GLN .148 .932 .702 4 5 9 58 58 PHE .155 .740 .597 4 7 11 59 59 LEU .273 .762 .572 4 4 8 60 60 GLY .221 .000 .221 4 0 4 61 61 ALA .181 .223 .190 4 1 5 62 62 LEU .140 .130 .135 4 4 8 63 63 PRO .130 .095 .116 4 3 7 64 64 PRO .192 .216 .202 4 3 7 65 65 GLU .152 .734 .556 4 5 9 66 66 ILE .095 .077 .086 4 4 8 67 67 GLN .126 .229 .190 4 5 9 68 68 ALA .142 .138 .141 4 1 5 69 69 ARG .254 1.034 .839 4 7 11 70 70 VAL .288 .394 .337 4 3 7 71 71 GLN .386 .478 .439 4 5 9 72 72 GLY .472 .000 .472 4 0 4 73 73 GLN .398 1.480 1.135 4 5 9 74 74 ARG .392 1.154 .950 4 7 11 75 75 PRO .557 .255 .453 4 3 7 76 76 GLY 1.068 .000 1.068 4 0 4 77 77 SER .310 1.427 .862 4 2 6 78 78 PRO .271 .220 .250 4 3 7 79 79 GLU .187 .652 .502 4 5 9 80 80 GLU .197 .698 .536 4 5 9 81 81 ALA .192 .174 .189 4 1 5 82 82 ALA .205 .245 .214 4 1 5 83 83 ALA .213 .233 .217 4 1 5 84 84 LEU .132 .196 .167 4 4 8 85 85 VAL .120 .173 .146 4 3 7 86 86 ASP .172 .757 .549 4 4 8 87 87 GLY .153 .000 .153 4 0 4 88 88 LEU .319 .350 .335 4 4 8 89 89 ARG .596 1.084 .936 4 7 11 90 90 ARG 1.308 6.385 5.154 4 7 11 91 91 GLU 1.940 5.482 4.286 4 5 9 92 92 PRO 4.284 5.476 4.831 4 3 7 93 93 GLY 6.259 .000 6.259 4 0 4 94 94 GLY 7.912 .000 7.912 4 0 4 95 301 GLY 4.012 .000 4.012 4 0 4 96 302 SER 2.490 2.683 2.556 4 2 6 97 303 ASP 1.007 1.311 1.169 4 4 8 98 304 PRO .556 .353 .479 4 3 7 99 305 GLY .382 .000 .382 4 0 4 100 306 PRO .299 .368 .331 4 3 7 101 307 GLU .326 1.746 1.320 4 5 9 102 308 ALA .363 .481 .390 4 1 5 103 309 ALA .253 .256 .254 4 1 5 104 310 ARG .212 .622 .513 4 7 11 105 311 LEU .196 .450 .347 4 4 8 106 312 ARG .155 1.786 1.428 4 7 11 107 313 PHE .227 .838 .682 4 7 11 108 314 ARG .258 1.530 1.230 4 7 11 109 315 CYS .217 .511 .344 4 2 6 110 316 PHE .230 .776 .634 4 7 11 111 317 HIS .215 1.237 .968 4 6 10 112 318 TYR .150 .690 .570 4 8 12 113 319 GLU .113 .738 .555 4 5 9 114 320 GLU .084 .877 .656 4 5 9 115 321 ALA .175 .199 .180 4 1 5 116 322 THR .215 .195 .207 4 3 7 117 323 GLY .067 .000 .067 4 0 4 118 324 PRO .120 .133 .126 4 3 7 119 325 GLN .112 1.096 .820 4 5 9 120 326 GLU .082 .592 .445 4 5 9 121 327 ALA .156 .119 .149 4 1 5 122 328 LEU .233 .174 .206 4 4 8 123 329 ALA .318 .283 .311 4 1 5 124 330 GLN .320 1.189 .912 4 5 9 125 331 LEU .382 .276 .333 4 4 8 126 332 ARG .467 1.062 .892 4 7 11 127 333 GLU .414 2.249 1.699 4 5 9 128 334 LEU .318 .537 .442 4 4 8 129 335 CYS .173 1.022 .607 4 2 6 130 336 ARG .279 .550 .470 4 7 11 131 337 GLN .340 .618 .514 4 5 9 132 338 TRP .232 .195 .206 4 10 14 133 339 LEU .178 .252 .218 4 4 8 134 340 ARG .252 1.981 1.588 4 7 11 135 341 PRO .241 .285 .261 4 3 7 136 342 GLU .428 1.488 1.146 4 5 9 137 343 VAL .657 1.886 1.331 4 3 7 138 344 ARG .194 .457 .383 4 7 11 139 345 SER .189 .265 .217 4 2 6 140 346 LYS .234 .678 .529 4 5 9 141 347 GLU .244 1.590 1.196 4 5 9 142 348 GLN .322 1.313 1.002 4 5 9 143 349 MET .294 .352 .324 4 4 8 144 350 LEU .192 .527 .397 4 4 8 145 351 GLU .201 1.175 .886 4 5 9 146 352 LEU .080 .246 .183 4 4 8 147 353 LEU .145 .238 .197 4 4 8 148 354 VAL .123 .210 .166 4 3 7 149 355 LEU .081 .767 .546 4 4 8 150 356 GLU .174 1.294 .971 4 5 9 151 357 GLN .146 .915 .689 4 5 9 152 358 PHE .148 .654 .530 4 7 11 153 359 LEU .254 .674 .509 4 4 8 154 360 GLY .210 .000 .210 4 0 4 155 361 ALA .165 .189 .170 4 1 5 156 362 LEU .127 .096 .112 4 4 8 157 363 PRO .133 .100 .120 4 3 7 158 364 PRO .192 .214 .201 4 3 7 159 365 GLU .153 .732 .555 4 5 9 160 366 ILE .096 .074 .086 4 4 8 161 367 GLN .124 .222 .185 4 5 9 162 368 ALA .138 .131 .137 4 1 5 163 369 ARG .249 1.027 .833 4 7 11 164 370 VAL .285 .376 .327 4 3 7 165 371 GLN .388 .497 .451 4 5 9 166 372 GLY .476 .000 .476 4 0 4 167 373 GLN .407 1.380 1.064 4 5 9 168 374 ARG .377 1.034 .856 4 7 11 169 375 PRO .544 .250 .442 4 3 7 170 376 GLY 1.064 .000 1.064 4 0 4 171 377 SER .294 1.434 .862 4 2 6 172 378 PRO .266 .216 .246 4 3 7 173 379 GLU .193 .654 .504 4 5 9 174 380 GLU .195 .695 .534 4 5 9 175 381 ALA .191 .168 .187 4 1 5 176 382 ALA .213 .258 .223 4 1 5 177 383 ALA .222 .243 .226 4 1 5 178 384 LEU .135 .203 .173 4 4 8 179 385 VAL .126 .481 .329 4 3 7 180 386 ASP .182 .765 .556 4 4 8 181 387 GLY .162 .000 .162 4 0 4 182 388 LEU .325 .351 .338 4 4 8 183 389 ARG .597 1.116 .960 4 7 11 184 390 ARG 1.305 6.406 5.170 4 7 11 185 391 GLU 1.934 5.474 4.279 4 5 9 186 392 PRO 4.277 5.462 4.820 4 3 7 187 393 GLY 6.256 .000 6.256 4 0 4 188 394 GLY 7.523 .000 7.523 3 0 3 ENDMDL Model RMS deviations: 1.2475 1.5332 1.3951 751 724 1475 MODEL 5 1 1 GLY 1.607 .000 1.607 4 0 4 2 2 SER 1.033 1.148 1.072 4 2 6 3 3 ASP .656 1.820 1.368 4 4 8 4 4 PRO .496 .628 .556 4 3 7 5 5 GLY .528 .000 .528 4 0 4 6 6 PRO .547 .438 .503 4 3 7 7 7 GLU .599 1.536 1.212 4 5 9 8 8 ALA .597 .607 .599 4 1 5 9 9 ALA .587 .569 .583 4 1 5 10 10 ARG .612 .774 .719 4 7 11 11 11 LEU .686 .815 .753 4 4 8 12 12 ARG .746 .860 .820 4 7 11 13 13 PHE .484 .983 .837 4 7 11 14 14 ARG .496 1.624 1.330 4 7 11 15 15 CYS .446 .945 .656 4 2 6 16 16 PHE .367 .903 .753 4 7 11 17 17 HIS .181 .745 .588 4 6 10 18 18 TYR .216 1.071 .883 4 8 12 19 19 GLU .373 .885 .705 4 5 9 20 20 GLU .518 1.041 .849 4 5 9 21 21 ALA .574 .569 .573 4 1 5 22 22 THR .599 .578 .590 4 3 7 23 23 GLY .554 .000 .554 4 0 4 24 24 PRO .471 .538 .500 4 3 7 25 25 GLN .558 .694 .637 4 5 9 26 26 GLU .557 .975 .816 4 5 9 27 27 ALA .465 .388 .450 4 1 5 28 28 LEU .476 .462 .469 4 4 8 29 29 ALA .568 .621 .579 4 1 5 30 30 GLN .499 1.082 .872 4 5 9 31 31 LEU .473 .233 .373 4 4 8 32 32 ARG .550 1.846 1.509 4 7 11 33 33 GLU .705 1.041 .907 4 5 9 34 34 LEU .654 .641 .648 4 4 8 35 35 CYS .580 .764 .647 4 2 6 36 36 ARG .549 .848 .753 4 7 11 37 37 GLN .638 .835 .754 4 5 9 38 38 TRP .572 .423 .470 4 10 14 39 39 LEU .433 .341 .390 4 4 8 40 40 ARG .409 1.255 1.031 4 7 11 41 41 PRO .376 .366 .372 4 3 7 42 42 GLU .400 2.175 1.643 4 5 9 43 43 VAL .389 .520 .449 4 3 7 44 44 ARG .306 1.469 1.186 4 7 11 45 45 SER .185 .726 .445 4 2 6 46 46 LYS .107 .924 .693 4 5 9 47 47 GLU .130 1.576 1.178 4 5 9 48 48 GLN .167 .974 .735 4 5 9 49 49 MET .205 .393 .313 4 4 8 50 50 LEU .187 .277 .236 4 4 8 51 51 GLU .329 .903 .708 4 5 9 52 52 LEU .389 .565 .485 4 4 8 53 53 LEU .173 .158 .166 4 4 8 54 54 VAL .192 .291 .240 4 3 7 55 55 LEU .225 .829 .607 4 4 8 56 56 GLU .214 1.264 .953 4 5 9 57 57 GLN .181 .708 .541 4 5 9 58 58 PHE .197 1.133 .911 4 7 11 59 59 LEU .358 .838 .644 4 4 8 60 60 GLY .372 .000 .372 4 0 4 61 61 ALA .155 .083 .144 4 1 5 62 62 LEU .259 .414 .345 4 4 8 63 63 PRO .334 .292 .316 4 3 7 64 64 PRO .485 .391 .447 4 3 7 65 65 GLU .556 .592 .576 4 5 9 66 66 ILE .574 .501 .539 4 4 8 67 67 GLN .619 .516 .564 4 5 9 68 68 ALA .783 .726 .772 4 1 5 69 69 ARG .878 1.059 .997 4 7 11 70 70 VAL .929 .788 .871 4 3 7 71 71 GLN 1.035 .983 1.006 4 5 9 72 72 GLY 1.075 .000 1.075 4 0 4 73 73 GLN .975 .940 .956 4 5 9 74 74 ARG .769 1.311 1.144 4 7 11 75 75 PRO .641 .635 .639 4 3 7 76 76 GLY .501 .000 .501 4 0 4 77 77 SER .465 .702 .555 4 2 6 78 78 PRO .465 .394 .436 4 3 7 79 79 GLU .581 .843 .738 4 5 9 80 80 GLU .648 1.004 .864 4 5 9 81 81 ALA .630 .590 .622 4 1 5 82 82 ALA .666 .631 .659 4 1 5 83 83 ALA .797 .855 .809 4 1 5 84 84 LEU .814 .777 .796 4 4 8 85 85 VAL .745 .691 .722 4 3 7 86 86 ASP .813 1.167 1.006 4 4 8 87 87 GLY .851 .000 .851 4 0 4 88 88 LEU .687 1.293 1.035 4 4 8 89 89 ARG .837 1.209 1.088 4 7 11 90 90 ARG 2.149 6.660 5.469 4 7 11 91 91 GLU 2.729 4.790 4.007 4 5 9 92 92 PRO 3.515 2.430 3.097 4 3 7 93 93 GLY 6.183 .000 6.183 4 0 4 94 94 GLY 8.572 .000 8.572 4 0 4 95 301 GLY 1.621 .000 1.621 4 0 4 96 302 SER 1.044 1.145 1.079 4 2 6 97 303 ASP .666 1.821 1.371 4 4 8 98 304 PRO .507 .637 .566 4 3 7 99 305 GLY .539 .000 .539 4 0 4 100 306 PRO .560 .455 .518 4 3 7 101 307 GLU .603 1.545 1.219 4 5 9 102 308 ALA .622 .637 .625 4 1 5 103 309 ALA .623 .611 .620 4 1 5 104 310 ARG .640 .801 .746 4 7 11 105 311 LEU .708 .840 .777 4 4 8 106 312 ARG .762 .892 .847 4 7 11 107 313 PHE .513 .909 .788 4 7 11 108 314 ARG .531 1.508 1.245 4 7 11 109 315 CYS .493 1.010 .709 4 2 6 110 316 PHE .402 .833 .708 4 7 11 111 317 HIS .217 .799 .634 4 6 10 112 318 TYR .196 .746 .620 4 8 12 113 319 GLU .326 .824 .652 4 5 9 114 320 GLU .504 1.082 .874 4 5 9 115 321 ALA .590 .605 .593 4 1 5 116 322 THR .602 .586 .595 4 3 7 117 323 GLY .549 .000 .549 4 0 4 118 324 PRO .467 .538 .499 4 3 7 119 325 GLN .566 .703 .646 4 5 9 120 326 GLU .563 .964 .811 4 5 9 121 327 ALA .433 .329 .415 4 1 5 122 328 LEU .477 .468 .473 4 4 8 123 329 ALA .625 .697 .640 4 1 5 124 330 GLN .553 1.004 .834 4 5 9 125 331 LEU .492 .234 .385 4 4 8 126 332 ARG .567 1.900 1.554 4 7 11 127 333 GLU .739 1.082 .945 4 5 9 128 334 LEU .688 .693 .691 4 4 8 129 335 CYS .587 .766 .652 4 2 6 130 336 ARG .575 .734 .680 4 7 11 131 337 GLN .655 .863 .778 4 5 9 132 338 TRP .586 .418 .472 4 10 14 133 339 LEU .434 .319 .381 4 4 8 134 340 ARG .408 1.264 1.038 4 7 11 135 341 PRO .381 .368 .376 4 3 7 136 342 GLU .411 2.238 1.691 4 5 9 137 343 VAL .401 .486 .440 4 3 7 138 344 ARG .316 1.362 1.103 4 7 11 139 345 SER .208 .695 .436 4 2 6 140 346 LYS .093 1.068 .799 4 5 9 141 347 GLU .138 1.587 1.186 4 5 9 142 348 GLN .166 .975 .735 4 5 9 143 349 MET .194 .330 .270 4 4 8 144 350 LEU .180 .322 .261 4 4 8 145 351 GLU .320 .928 .724 4 5 9 146 352 LEU .376 .584 .491 4 4 8 147 353 LEU .176 .157 .166 4 4 8 148 354 VAL .221 .306 .261 4 3 7 149 355 LEU .234 .815 .600 4 4 8 150 356 GLU .185 1.189 .895 4 5 9 151 357 GLN .180 .730 .557 4 5 9 152 358 PHE .189 1.230 .988 4 7 11 153 359 LEU .347 .754 .587 4 4 8 154 360 GLY .397 .000 .397 4 0 4 155 361 ALA .115 .045 .105 4 1 5 156 362 LEU .216 .329 .278 4 4 8 157 363 PRO .321 .273 .301 4 3 7 158 364 PRO .501 .423 .470 4 3 7 159 365 GLU .564 .606 .588 4 5 9 160 366 ILE .554 .476 .517 4 4 8 161 367 GLN .594 .484 .536 4 5 9 162 368 ALA .773 .722 .763 4 1 5 163 369 ARG .868 1.048 .986 4 7 11 164 370 VAL .923 .776 .863 4 3 7 165 371 GLN 1.040 .961 .997 4 5 9 166 372 GLY 1.071 .000 1.071 4 0 4 167 373 GLN .981 .914 .944 4 5 9 168 374 ARG .778 1.531 1.309 4 7 11 169 375 PRO .662 .646 .655 4 3 7 170 376 GLY .480 .000 .480 4 0 4 171 377 SER .433 .734 .552 4 2 6 172 378 PRO .411 .352 .387 4 3 7 173 379 GLU .590 .875 .762 4 5 9 174 380 GLU .660 1.018 .877 4 5 9 175 381 ALA .630 .589 .622 4 1 5 176 382 ALA .659 .632 .654 4 1 5 177 383 ALA .797 .872 .813 4 1 5 178 384 LEU .789 .780 .785 4 4 8 179 385 VAL .713 .795 .749 4 3 7 180 386 ASP .769 1.185 .999 4 4 8 181 387 GLY .833 .000 .833 4 0 4 182 388 LEU .673 1.287 1.027 4 4 8 183 389 ARG .838 1.350 1.189 4 7 11 184 390 ARG 2.144 6.617 5.435 4 7 11 185 391 GLU 2.758 4.813 4.031 4 5 9 186 392 PRO 3.552 2.453 3.128 4 3 7 187 393 GLY 6.219 .000 6.219 4 0 4 188 394 GLY 8.199 .000 8.199 3 0 3 ENDMDL Model RMS deviations: 1.2890 1.4677 1.3796 751 724 1475 MODEL 6 1 1 GLY 4.626 .000 4.626 4 0 4 2 2 SER 2.863 4.169 3.355 4 2 6 3 3 ASP 2.052 2.338 2.200 4 4 8 4 4 PRO 1.639 1.434 1.554 4 3 7 5 5 GLY .982 .000 .982 4 0 4 6 6 PRO .714 .874 .787 4 3 7 7 7 GLU .534 1.943 1.491 4 5 9 8 8 ALA .698 .824 .725 4 1 5 9 9 ALA .669 .661 .668 4 1 5 10 10 ARG .596 .458 .512 4 7 11 11 11 LEU .633 .576 .605 4 4 8 12 12 ARG .606 1.021 .893 4 7 11 13 13 PHE .599 1.067 .925 4 7 11 14 14 ARG .611 1.308 1.107 4 7 11 15 15 CYS .656 .583 .633 4 2 6 16 16 PHE .660 1.253 1.076 4 7 11 17 17 HIS .709 1.292 1.096 4 6 10 18 18 TYR .668 1.184 1.041 4 8 12 19 19 GLU .865 1.146 1.031 4 5 9 20 20 GLU .967 .970 .968 4 5 9 21 21 ALA 1.093 1.126 1.099 4 1 5 22 22 THR 1.019 1.006 1.014 4 3 7 23 23 GLY .861 .000 .861 4 0 4 24 24 PRO .702 .736 .717 4 3 7 25 25 GLN .708 .882 .809 4 5 9 26 26 GLU .765 1.083 .955 4 5 9 27 27 ALA .693 .708 .696 4 1 5 28 28 LEU .544 .496 .520 4 4 8 29 29 ALA .632 .745 .656 4 1 5 30 30 GLN .699 1.421 1.157 4 5 9 31 31 LEU .525 .485 .505 4 4 8 32 32 ARG .489 1.141 .957 4 7 11 33 33 GLU .498 2.092 1.594 4 5 9 34 34 LEU .524 .641 .585 4 4 8 35 35 CYS .501 .986 .701 4 2 6 36 36 ARG .502 .789 .699 4 7 11 37 37 GLN .493 1.070 .862 4 5 9 38 38 TRP .468 .434 .444 4 10 14 39 39 LEU .517 .563 .541 4 4 8 40 40 ARG .507 1.338 1.110 4 7 11 41 41 PRO .520 .528 .524 4 3 7 42 42 GLU .556 1.638 1.276 4 5 9 43 43 VAL .518 .495 .508 4 3 7 44 44 ARG .484 1.222 1.018 4 7 11 45 45 SER .300 .711 .478 4 2 6 46 46 LYS .284 1.175 .896 4 5 9 47 47 GLU .193 1.857 1.390 4 5 9 48 48 GLN .262 .939 .721 4 5 9 49 49 MET .312 .547 .445 4 4 8 50 50 LEU .323 .376 .351 4 4 8 51 51 GLU .397 1.297 1.003 4 5 9 52 52 LEU .347 .453 .404 4 4 8 53 53 LEU .318 .374 .347 4 4 8 54 54 VAL .336 .330 .334 4 3 7 55 55 LEU .320 .928 .694 4 4 8 56 56 GLU .383 1.327 1.021 4 5 9 57 57 GLN .430 1.420 1.097 4 5 9 58 58 PHE .462 .881 .756 4 7 11 59 59 LEU .458 .886 .705 4 4 8 60 60 GLY .534 .000 .534 4 0 4 61 61 ALA .592 .559 .585 4 1 5 62 62 LEU .618 .528 .575 4 4 8 63 63 PRO .707 .729 .717 4 3 7 64 64 PRO .762 .822 .788 4 3 7 65 65 GLU .764 1.393 1.157 4 5 9 66 66 ILE .657 .679 .668 4 4 8 67 67 GLN .579 .567 .572 4 5 9 68 68 ALA .612 .676 .625 4 1 5 69 69 ARG .589 .587 .588 4 7 11 70 70 VAL .508 .482 .497 4 3 7 71 71 GLN .469 .513 .494 4 5 9 72 72 GLY .498 .000 .498 4 0 4 73 73 GLN .637 1.488 1.187 4 5 9 74 74 ARG .406 1.166 .962 4 7 11 75 75 PRO .432 .386 .413 4 3 7 76 76 GLY .448 .000 .448 4 0 4 77 77 SER .335 .702 .489 4 2 6 78 78 PRO .356 .291 .330 4 3 7 79 79 GLU .469 .678 .594 4 5 9 80 80 GLU .530 .915 .768 4 5 9 81 81 ALA .540 .433 .520 4 1 5 82 82 ALA .606 .523 .590 4 1 5 83 83 ALA .754 .710 .745 4 1 5 84 84 LEU .774 .698 .737 4 4 8 85 85 VAL .808 .661 .749 4 3 7 86 86 ASP .916 1.105 1.015 4 4 8 87 87 GLY 1.170 .000 1.170 4 0 4 88 88 LEU 1.152 .706 .956 4 4 8 89 89 ARG 1.510 1.142 1.288 4 7 11 90 90 ARG 1.551 6.531 5.293 4 7 11 91 91 GLU 2.668 4.233 3.622 4 5 9 92 92 PRO 6.834 6.765 6.805 4 3 7 93 93 GLY 9.173 .000 9.173 4 0 4 94 94 GLY 12.710 .000 12.710 4 0 4 95 301 GLY 4.613 .000 4.613 4 0 4 96 302 SER 2.855 4.159 3.347 4 2 6 97 303 ASP 2.045 2.331 2.193 4 4 8 98 304 PRO 1.635 1.436 1.553 4 3 7 99 305 GLY .984 .000 .984 4 0 4 100 306 PRO .720 .882 .793 4 3 7 101 307 GLU .543 1.958 1.504 4 5 9 102 308 ALA .692 .822 .720 4 1 5 103 309 ALA .664 .654 .662 4 1 5 104 310 ARG .598 .528 .554 4 7 11 105 311 LEU .657 .596 .627 4 4 8 106 312 ARG .620 .982 .868 4 7 11 107 313 PHE .576 .947 .831 4 7 11 108 314 ARG .660 1.365 1.159 4 7 11 109 315 CYS .705 .576 .665 4 2 6 110 316 PHE .707 1.301 1.122 4 7 11 111 317 HIS .758 1.375 1.168 4 6 10 112 318 TYR .705 .949 .875 4 8 12 113 319 GLU .860 1.075 .985 4 5 9 114 320 GLU .954 .915 .932 4 5 9 115 321 ALA 1.097 1.124 1.103 4 1 5 116 322 THR 1.025 1.018 1.022 4 3 7 117 323 GLY .853 .000 .853 4 0 4 118 324 PRO .686 .728 .705 4 3 7 119 325 GLN .668 .854 .777 4 5 9 120 326 GLU .725 1.134 .974 4 5 9 121 327 ALA .664 .682 .668 4 1 5 122 328 LEU .523 .473 .498 4 4 8 123 329 ALA .612 .714 .634 4 1 5 124 330 GLN .694 1.625 1.297 4 5 9 125 331 LEU .556 .555 .555 4 4 8 126 332 ARG .477 1.092 .917 4 7 11 127 333 GLU .476 2.032 1.548 4 5 9 128 334 LEU .527 .632 .582 4 4 8 129 335 CYS .508 1.014 .717 4 2 6 130 336 ARG .503 .592 .562 4 7 11 131 337 GLN .480 1.105 .883 4 5 9 132 338 TRP .465 .435 .444 4 10 14 133 339 LEU .535 .550 .543 4 4 8 134 340 ARG .452 1.277 1.054 4 7 11 135 341 PRO .460 .479 .468 4 3 7 136 342 GLU .520 1.678 1.298 4 5 9 137 343 VAL .461 .476 .468 4 3 7 138 344 ARG .338 1.340 1.088 4 7 11 139 345 SER .245 .708 .455 4 2 6 140 346 LYS .258 .988 .756 4 5 9 141 347 GLU .232 1.842 1.382 4 5 9 142 348 GLN .184 .887 .672 4 5 9 143 349 MET .250 .465 .373 4 4 8 144 350 LEU .305 .424 .370 4 4 8 145 351 GLU .394 1.347 1.038 4 5 9 146 352 LEU .322 .469 .402 4 4 8 147 353 LEU .278 .330 .305 4 4 8 148 354 VAL .340 .338 .339 4 3 7 149 355 LEU .335 1.181 .868 4 4 8 150 356 GLU .400 1.239 .961 4 5 9 151 357 GLN .454 1.268 .992 4 5 9 152 358 PHE .469 .804 .701 4 7 11 153 359 LEU .458 .828 .669 4 4 8 154 360 GLY .534 .000 .534 4 0 4 155 361 ALA .584 .558 .579 4 1 5 156 362 LEU .608 .498 .556 4 4 8 157 363 PRO .693 .711 .700 4 3 7 158 364 PRO .745 .800 .769 4 3 7 159 365 GLU .744 1.366 1.132 4 5 9 160 366 ILE .645 .662 .654 4 4 8 161 367 GLN .579 .561 .569 4 5 9 162 368 ALA .598 .662 .611 4 1 5 163 369 ARG .577 .585 .582 4 7 11 164 370 VAL .493 .471 .484 4 3 7 165 371 GLN .460 .501 .484 4 5 9 166 372 GLY .488 .000 .488 4 0 4 167 373 GLN .631 1.442 1.154 4 5 9 168 374 ARG .405 1.004 .837 4 7 11 169 375 PRO .439 .390 .418 4 3 7 170 376 GLY .450 .000 .450 4 0 4 171 377 SER .342 .701 .492 4 2 6 172 378 PRO .362 .301 .338 4 3 7 173 379 GLU .488 .690 .608 4 5 9 174 380 GLU .547 .936 .787 4 5 9 175 381 ALA .556 .449 .536 4 1 5 176 382 ALA .630 .549 .615 4 1 5 177 383 ALA .777 .735 .769 4 1 5 178 384 LEU .793 .722 .758 4 4 8 179 385 VAL .836 .764 .806 4 3 7 180 386 ASP .917 1.062 .992 4 4 8 181 387 GLY 1.175 .000 1.175 4 0 4 182 388 LEU 1.164 .710 .964 4 4 8 183 389 ARG 1.522 1.164 1.305 4 7 11 184 390 ARG 1.556 6.548 5.307 4 7 11 185 391 GLU 2.665 4.223 3.615 4 5 9 186 392 PRO 6.833 6.764 6.803 4 3 7 187 393 GLY 9.170 .000 9.170 4 0 4 188 394 GLY 12.343 .000 12.343 3 0 3 ENDMDL Model RMS deviations: 1.9284 1.6108 1.7796 751 724 1475 MODEL 7 1 1 GLY 5.109 .000 5.109 4 0 4 2 2 SER 4.156 5.767 4.754 4 2 6 3 3 ASP 1.844 2.099 1.975 4 4 8 4 4 PRO 1.368 1.336 1.354 4 3 7 5 5 GLY .975 .000 .975 4 0 4 6 6 PRO .762 1.048 .896 4 3 7 7 7 GLU .592 1.600 1.256 4 5 9 8 8 ALA .413 .518 .436 4 1 5 9 9 ALA .310 .350 .318 4 1 5 10 10 ARG .287 .406 .367 4 7 11 11 11 LEU .334 .392 .364 4 4 8 12 12 ARG .289 .754 .626 4 7 11 13 13 PHE .224 .931 .755 4 7 11 14 14 ARG .293 1.644 1.323 4 7 11 15 15 CYS .275 1.153 .702 4 2 6 16 16 PHE .306 1.048 .856 4 7 11 17 17 HIS .264 .720 .582 4 6 10 18 18 TYR .259 .804 .674 4 8 12 19 19 GLU .409 .986 .784 4 5 9 20 20 GLU .560 .857 .739 4 5 9 21 21 ALA .637 .613 .632 4 1 5 22 22 THR .653 .624 .641 4 3 7 23 23 GLY .621 .000 .621 4 0 4 24 24 PRO .605 .639 .620 4 3 7 25 25 GLN .654 .795 .736 4 5 9 26 26 GLU .619 .990 .845 4 5 9 27 27 ALA .555 .517 .548 4 1 5 28 28 LEU .561 .554 .557 4 4 8 29 29 ALA .570 .597 .576 4 1 5 30 30 GLN .499 1.131 .906 4 5 9 31 31 LEU .447 .404 .426 4 4 8 32 32 ARG .509 2.760 2.223 4 7 11 33 33 GLU .476 1.059 .851 4 5 9 34 34 LEU .433 .413 .423 4 4 8 35 35 CYS .414 .894 .617 4 2 6 36 36 ARG .435 .820 .705 4 7 11 37 37 GLN .373 .442 .413 4 5 9 38 38 TRP .315 .251 .271 4 10 14 39 39 LEU .276 .234 .256 4 4 8 40 40 ARG .363 1.784 1.440 4 7 11 41 41 PRO .374 .421 .395 4 3 7 42 42 GLU .575 2.459 1.872 4 5 9 43 43 VAL .546 .693 .613 4 3 7 44 44 ARG .279 1.122 .911 4 7 11 45 45 SER .316 .375 .337 4 2 6 46 46 LYS .454 1.639 1.259 4 5 9 47 47 GLU .670 1.723 1.360 4 5 9 48 48 GLN .606 1.371 1.099 4 5 9 49 49 MET .321 .425 .377 4 4 8 50 50 LEU .418 .406 .412 4 4 8 51 51 GLU .397 1.376 1.059 4 5 9 52 52 LEU .370 .656 .533 4 4 8 53 53 LEU .297 .268 .283 4 4 8 54 54 VAL .305 .348 .324 4 3 7 55 55 LEU .334 1.031 .766 4 4 8 56 56 GLU .255 1.636 1.231 4 5 9 57 57 GLN .270 .844 .654 4 5 9 58 58 PHE .344 .877 .730 4 7 11 59 59 LEU .406 .942 .725 4 4 8 60 60 GLY .284 .000 .284 4 0 4 61 61 ALA .303 .274 .298 4 1 5 62 62 LEU .341 .362 .352 4 4 8 63 63 PRO .390 .414 .401 4 3 7 64 64 PRO .414 .418 .416 4 3 7 65 65 GLU .473 .884 .731 4 5 9 66 66 ILE .456 .452 .454 4 4 8 67 67 GLN .410 .368 .387 4 5 9 68 68 ALA .445 .457 .447 4 1 5 69 69 ARG .528 1.162 .980 4 7 11 70 70 VAL .477 .426 .456 4 3 7 71 71 GLN .548 .813 .708 4 5 9 72 72 GLY .674 .000 .674 4 0 4 73 73 GLN .734 1.648 1.322 4 5 9 74 74 ARG .741 .869 .825 4 7 11 75 75 PRO .736 .626 .691 4 3 7 76 76 GLY .831 .000 .831 4 0 4 77 77 SER .613 .613 .613 4 2 6 78 78 PRO .526 .511 .520 4 3 7 79 79 GLU .632 .898 .791 4 5 9 80 80 GLU .663 .983 .856 4 5 9 81 81 ALA .627 .582 .618 4 1 5 82 82 ALA .652 .642 .650 4 1 5 83 83 ALA .668 .649 .664 4 1 5 84 84 LEU .662 .635 .649 4 4 8 85 85 VAL .637 .624 .631 4 3 7 86 86 ASP .644 1.058 .876 4 4 8 87 87 GLY .618 .000 .618 4 0 4 88 88 LEU .523 .577 .551 4 4 8 89 89 ARG .822 1.205 1.081 4 7 11 90 90 ARG 2.195 4.321 3.693 4 7 11 91 91 GLU 6.002 8.391 7.425 4 5 9 92 92 PRO 8.918 7.286 8.258 4 3 7 93 93 GLY 13.255 .000 13.255 4 0 4 94 94 GLY 15.897 .000 15.897 4 0 4 95 301 GLY 5.121 .000 5.121 4 0 4 96 302 SER 4.166 5.772 4.762 4 2 6 97 303 ASP 1.853 2.112 1.986 4 4 8 98 304 PRO 1.368 1.328 1.351 4 3 7 99 305 GLY .970 .000 .970 4 0 4 100 306 PRO .759 1.045 .893 4 3 7 101 307 GLU .589 1.604 1.258 4 5 9 102 308 ALA .411 .518 .435 4 1 5 103 309 ALA .311 .350 .319 4 1 5 104 310 ARG .292 .386 .355 4 7 11 105 311 LEU .342 .394 .369 4 4 8 106 312 ARG .293 .719 .600 4 7 11 107 313 PHE .238 .852 .695 4 7 11 108 314 ARG .300 1.558 1.256 4 7 11 109 315 CYS .280 1.159 .707 4 2 6 110 316 PHE .303 .805 .668 4 7 11 111 317 HIS .261 1.005 .796 4 6 10 112 318 TYR .242 .783 .654 4 8 12 113 319 GLU .384 1.182 .917 4 5 9 114 320 GLU .563 .852 .737 4 5 9 115 321 ALA .656 .629 .651 4 1 5 116 322 THR .668 .636 .654 4 3 7 117 323 GLY .630 .000 .630 4 0 4 118 324 PRO .597 .641 .617 4 3 7 119 325 GLN .664 .838 .765 4 5 9 120 326 GLU .630 1.003 .858 4 5 9 121 327 ALA .543 .515 .538 4 1 5 122 328 LEU .575 .573 .574 4 4 8 123 329 ALA .588 .622 .595 4 1 5 124 330 GLN .522 .958 .794 4 5 9 125 331 LEU .453 .420 .437 4 4 8 126 332 ARG .519 2.727 2.198 4 7 11 127 333 GLU .484 1.049 .846 4 5 9 128 334 LEU .440 .421 .430 4 4 8 129 335 CYS .428 .902 .627 4 2 6 130 336 ARG .443 .838 .720 4 7 11 131 337 GLN .379 .493 .446 4 5 9 132 338 TRP .311 .261 .276 4 10 14 133 339 LEU .260 .242 .251 4 4 8 134 340 ARG .364 1.800 1.453 4 7 11 135 341 PRO .362 .416 .386 4 3 7 136 342 GLU .557 2.378 1.811 4 5 9 137 343 VAL .529 .676 .597 4 3 7 138 344 ARG .283 1.179 .956 4 7 11 139 345 SER .314 .374 .335 4 2 6 140 346 LYS .470 1.388 1.081 4 5 9 141 347 GLU .676 1.713 1.354 4 5 9 142 348 GLN .606 1.381 1.105 4 5 9 143 349 MET .333 .358 .346 4 4 8 144 350 LEU .416 .437 .427 4 4 8 145 351 GLU .396 1.313 1.014 4 5 9 146 352 LEU .369 .596 .496 4 4 8 147 353 LEU .294 .280 .287 4 4 8 148 354 VAL .300 .342 .319 4 3 7 149 355 LEU .329 1.281 .935 4 4 8 150 356 GLU .254 1.518 1.144 4 5 9 151 357 GLN .258 .841 .650 4 5 9 152 358 PHE .339 1.254 1.021 4 7 11 153 359 LEU .362 .846 .651 4 4 8 154 360 GLY .284 .000 .284 4 0 4 155 361 ALA .277 .246 .271 4 1 5 156 362 LEU .329 .362 .346 4 4 8 157 363 PRO .380 .402 .390 4 3 7 158 364 PRO .412 .411 .411 4 3 7 159 365 GLU .462 .891 .732 4 5 9 160 366 ILE .443 .441 .442 4 4 8 161 367 GLN .395 .335 .363 4 5 9 162 368 ALA .437 .461 .442 4 1 5 163 369 ARG .539 1.197 1.009 4 7 11 164 370 VAL .484 .445 .467 4 3 7 165 371 GLN .536 .754 .666 4 5 9 166 372 GLY .725 .000 .725 4 0 4 167 373 GLN .795 1.597 1.303 4 5 9 168 374 ARG .761 .950 .886 4 7 11 169 375 PRO .750 .638 .705 4 3 7 170 376 GLY .822 .000 .822 4 0 4 171 377 SER .607 .625 .613 4 2 6 172 378 PRO .508 .497 .503 4 3 7 173 379 GLU .612 .883 .774 4 5 9 174 380 GLU .650 .985 .852 4 5 9 175 381 ALA .602 .560 .594 4 1 5 176 382 ALA .616 .606 .614 4 1 5 177 383 ALA .625 .608 .622 4 1 5 178 384 LEU .628 .604 .616 4 4 8 179 385 VAL .589 .787 .681 4 3 7 180 386 ASP .591 1.016 .831 4 4 8 181 387 GLY .587 .000 .587 4 0 4 182 388 LEU .506 .545 .526 4 4 8 183 389 ARG .827 1.194 1.075 4 7 11 184 390 ARG 2.204 4.304 3.681 4 7 11 185 391 GLU 6.016 8.395 7.433 4 5 9 186 392 PRO 8.936 7.304 8.276 4 3 7 187 393 GLY 13.275 .000 13.275 4 0 4 188 394 GLY 15.444 .000 15.444 3 0 3 ENDMDL Model RMS deviations: 2.4927 1.7487 2.1598 751 724 1475 MODEL 8 1 1 GLY 5.590 .000 5.590 4 0 4 2 2 SER 4.886 8.216 6.198 4 2 6 3 3 ASP 1.830 1.655 1.744 4 4 8 4 4 PRO .660 1.084 .867 4 3 7 5 5 GLY .331 .000 .331 4 0 4 6 6 PRO .489 .540 .511 4 3 7 7 7 GLU .658 3.308 2.505 4 5 9 8 8 ALA .650 .743 .669 4 1 5 9 9 ALA .529 .527 .529 4 1 5 10 10 ARG .481 .426 .447 4 7 11 11 11 LEU .614 .722 .670 4 4 8 12 12 ARG .598 1.300 1.098 4 7 11 13 13 PHE .474 .948 .808 4 7 11 14 14 ARG .475 1.196 .996 4 7 11 15 15 CYS .608 .603 .606 4 2 6 16 16 PHE .527 1.023 .876 4 7 11 17 17 HIS .624 1.068 .916 4 6 10 18 18 TYR .493 .833 .738 4 8 12 19 19 GLU .733 .927 .846 4 5 9 20 20 GLU .809 1.416 1.185 4 5 9 21 21 ALA 1.042 1.026 1.039 4 1 5 22 22 THR 1.061 1.105 1.080 4 3 7 23 23 GLY .901 .000 .901 4 0 4 24 24 PRO .780 .766 .774 4 3 7 25 25 GLN .956 1.173 1.082 4 5 9 26 26 GLU .978 1.377 1.216 4 5 9 27 27 ALA .751 .730 .747 4 1 5 28 28 LEU .661 .658 .659 4 4 8 29 29 ALA .757 .921 .792 4 1 5 30 30 GLN .728 1.615 1.298 4 5 9 31 31 LEU .626 .396 .524 4 4 8 32 32 ARG .645 1.227 1.053 4 7 11 33 33 GLU .643 1.180 .978 4 5 9 34 34 LEU .658 .738 .700 4 4 8 35 35 CYS .493 .913 .663 4 2 6 36 36 ARG .405 1.345 1.101 4 7 11 37 37 GLN .470 1.001 .809 4 5 9 38 38 TRP .454 .419 .429 4 10 14 39 39 LEU .394 .334 .365 4 4 8 40 40 ARG .357 .987 .816 4 7 11 41 41 PRO .384 .466 .421 4 3 7 42 42 GLU .411 1.252 .973 4 5 9 43 43 VAL .279 1.734 1.154 4 3 7 44 44 ARG .542 .504 .518 4 7 11 45 45 SER .377 .503 .423 4 2 6 46 46 LYS .459 .618 .553 4 5 9 47 47 GLU .320 1.719 1.299 4 5 9 48 48 GLN .368 1.598 1.216 4 5 9 49 49 MET .403 .597 .509 4 4 8 50 50 LEU .260 .232 .246 4 4 8 51 51 GLU .220 1.867 1.400 4 5 9 52 52 LEU .347 .404 .377 4 4 8 53 53 LEU .410 .406 .408 4 4 8 54 54 VAL .496 .535 .513 4 3 7 55 55 LEU .482 1.089 .842 4 4 8 56 56 GLU .451 1.899 1.447 4 5 9 57 57 GLN .319 .910 .711 4 5 9 58 58 PHE .323 .872 .722 4 7 11 59 59 LEU .443 1.167 .883 4 4 8 60 60 GLY .412 .000 .412 4 0 4 61 61 ALA .389 .385 .388 4 1 5 62 62 LEU .381 .405 .393 4 4 8 63 63 PRO .442 .376 .415 4 3 7 64 64 PRO .604 .666 .631 4 3 7 65 65 GLU .541 .608 .579 4 5 9 66 66 ILE .515 .395 .459 4 4 8 67 67 GLN .628 .607 .616 4 5 9 68 68 ALA .787 .794 .788 4 1 5 69 69 ARG .743 1.244 1.089 4 7 11 70 70 VAL .865 .887 .874 4 3 7 71 71 GLN .989 1.017 1.005 4 5 9 72 72 GLY 1.091 .000 1.091 4 0 4 73 73 GLN 1.124 1.036 1.076 4 5 9 74 74 ARG 1.096 1.089 1.091 4 7 11 75 75 PRO 1.086 .974 1.040 4 3 7 76 76 GLY 1.074 .000 1.074 4 0 4 77 77 SER .857 .919 .878 4 2 6 78 78 PRO .739 .731 .736 4 3 7 79 79 GLU .911 1.269 1.124 4 5 9 80 80 GLU .954 1.367 1.201 4 5 9 81 81 ALA .717 .577 .691 4 1 5 82 82 ALA .825 .814 .822 4 1 5 83 83 ALA 1.059 1.185 1.085 4 1 5 84 84 LEU .930 .921 .925 4 4 8 85 85 VAL .713 .535 .643 4 3 7 86 86 ASP .957 1.421 1.211 4 4 8 87 87 GLY .978 .000 .978 4 0 4 88 88 LEU .622 1.043 .859 4 4 8 89 89 ARG 1.001 .966 .979 4 7 11 90 90 ARG .969 3.969 3.219 4 7 11 91 91 GLU 4.723 5.623 5.242 4 5 9 92 92 PRO 7.961 6.855 7.507 4 3 7 93 93 GLY 11.245 .000 11.245 4 0 4 94 94 GLY 12.852 .000 12.852 4 0 4 95 301 GLY 5.609 .000 5.609 4 0 4 96 302 SER 4.896 8.229 6.209 4 2 6 97 303 ASP 1.837 1.661 1.751 4 4 8 98 304 PRO .666 1.076 .866 4 3 7 99 305 GLY .330 .000 .330 4 0 4 100 306 PRO .498 .553 .522 4 3 7 101 307 GLU .656 3.278 2.482 4 5 9 102 308 ALA .652 .739 .670 4 1 5 103 309 ALA .539 .546 .540 4 1 5 104 310 ARG .496 .470 .480 4 7 11 105 311 LEU .610 .721 .668 4 4 8 106 312 ARG .601 1.259 1.068 4 7 11 107 313 PHE .479 .881 .760 4 7 11 108 314 ARG .451 1.238 1.025 4 7 11 109 315 CYS .610 .590 .604 4 2 6 110 316 PHE .538 1.242 1.043 4 7 11 111 317 HIS .612 1.121 .950 4 6 10 112 318 TYR .491 .834 .738 4 8 12 113 319 GLU .721 .894 .822 4 5 9 114 320 GLU .794 1.415 1.180 4 5 9 115 321 ALA 1.009 1.002 1.008 4 1 5 116 322 THR 1.027 1.066 1.044 4 3 7 117 323 GLY .876 .000 .876 4 0 4 118 324 PRO .774 .751 .764 4 3 7 119 325 GLN .963 1.190 1.095 4 5 9 120 326 GLU .988 1.383 1.224 4 5 9 121 327 ALA .746 .711 .739 4 1 5 122 328 LEU .664 .663 .664 4 4 8 123 329 ALA .763 .936 .800 4 1 5 124 330 GLN .733 1.454 1.189 4 5 9 125 331 LEU .617 .399 .520 4 4 8 126 332 ARG .637 1.209 1.038 4 7 11 127 333 GLU .633 1.177 .973 4 5 9 128 334 LEU .645 .743 .696 4 4 8 129 335 CYS .494 .906 .661 4 2 6 130 336 ARG .413 1.533 1.248 4 7 11 131 337 GLN .513 1.006 .824 4 5 9 132 338 TRP .461 .471 .468 4 10 14 133 339 LEU .407 .378 .393 4 4 8 134 340 ARG .378 .769 .654 4 7 11 135 341 PRO .392 .407 .399 4 3 7 136 342 GLU .393 1.656 1.262 4 5 9 137 343 VAL .358 .482 .416 4 3 7 138 344 ARG .452 .451 .451 4 7 11 139 345 SER .396 .575 .464 4 2 6 140 346 LYS .451 1.585 1.219 4 5 9 141 347 GLU .483 1.858 1.422 4 5 9 142 348 GLN .403 1.458 1.120 4 5 9 143 349 MET .366 .422 .395 4 4 8 144 350 LEU .284 .286 .285 4 4 8 145 351 GLU .266 1.674 1.260 4 5 9 146 352 LEU .320 .359 .340 4 4 8 147 353 LEU .391 .403 .397 4 4 8 148 354 VAL .483 .526 .502 4 3 7 149 355 LEU .473 1.311 .986 4 4 8 150 356 GLU .436 1.779 1.358 4 5 9 151 357 GLN .293 .864 .673 4 5 9 152 358 PHE .309 .801 .665 4 7 11 153 359 LEU .437 1.246 .934 4 4 8 154 360 GLY .399 .000 .399 4 0 4 155 361 ALA .373 .370 .373 4 1 5 156 362 LEU .359 .377 .368 4 4 8 157 363 PRO .425 .354 .396 4 3 7 158 364 PRO .592 .654 .620 4 3 7 159 365 GLU .536 .602 .573 4 5 9 160 366 ILE .513 .386 .454 4 4 8 161 367 GLN .622 .600 .610 4 5 9 162 368 ALA .779 .786 .780 4 1 5 163 369 ARG .732 1.249 1.090 4 7 11 164 370 VAL .860 .892 .874 4 3 7 165 371 GLN .983 1.010 .998 4 5 9 166 372 GLY 1.091 .000 1.091 4 0 4 167 373 GLN 1.125 1.066 1.092 4 5 9 168 374 ARG 1.099 1.067 1.079 4 7 11 169 375 PRO 1.090 .971 1.041 4 3 7 170 376 GLY 1.066 .000 1.066 4 0 4 171 377 SER .851 .923 .876 4 2 6 172 378 PRO .725 .716 .721 4 3 7 173 379 GLU .903 1.258 1.114 4 5 9 174 380 GLU .950 1.365 1.198 4 5 9 175 381 ALA .709 .564 .683 4 1 5 176 382 ALA .823 .808 .820 4 1 5 177 383 ALA 1.059 1.185 1.085 4 1 5 178 384 LEU .934 .920 .927 4 4 8 179 385 VAL .715 .718 .716 4 3 7 180 386 ASP .956 1.382 1.188 4 4 8 181 387 GLY .993 .000 .993 4 0 4 182 388 LEU .624 1.025 .849 4 4 8 183 389 ARG 1.012 .955 .976 4 7 11 184 390 ARG .968 3.982 3.229 4 7 11 185 391 GLU 4.702 5.592 5.215 4 5 9 186 392 PRO 7.951 6.854 7.500 4 3 7 187 393 GLY 11.245 .000 11.245 4 0 4 188 394 GLY 12.773 .000 12.773 3 0 3 ENDMDL Model RMS deviations: 2.2019 1.6350 1.9444 751 724 1475 MODEL 9 1 1 GLY 1.154 .000 1.154 4 0 4 2 2 SER 1.518 1.888 1.651 4 2 6 3 3 ASP 1.024 1.311 1.176 4 4 8 4 4 PRO .923 .856 .895 4 3 7 5 5 GLY .473 .000 .473 4 0 4 6 6 PRO .380 .529 .450 4 3 7 7 7 GLU .427 1.520 1.168 4 5 9 8 8 ALA .352 .413 .365 4 1 5 9 9 ALA .303 .319 .307 4 1 5 10 10 ARG .324 1.292 1.049 4 7 11 11 11 LEU .329 .497 .422 4 4 8 12 12 ARG .303 .438 .395 4 7 11 13 13 PHE .339 .990 .816 4 7 11 14 14 ARG .294 1.191 .967 4 7 11 15 15 CYS .341 1.146 .718 4 2 6 16 16 PHE .285 .895 .734 4 7 11 17 17 HIS .316 .882 .712 4 6 10 18 18 TYR .262 1.062 .881 4 8 12 19 19 GLU .358 .685 .563 4 5 9 20 20 GLU .428 .663 .570 4 5 9 21 21 ALA .467 .471 .468 4 1 5 22 22 THR .419 .402 .412 4 3 7 23 23 GLY .344 .000 .344 4 0 4 24 24 PRO .280 .310 .293 4 3 7 25 25 GLN .298 .497 .420 4 5 9 26 26 GLU .304 .793 .625 4 5 9 27 27 ALA .271 .248 .267 4 1 5 28 28 LEU .273 .270 .272 4 4 8 29 29 ALA .310 .327 .313 4 1 5 30 30 GLN .328 1.238 .948 4 5 9 31 31 LEU .292 .237 .266 4 4 8 32 32 ARG .284 2.160 1.732 4 7 11 33 33 GLU .418 .747 .623 4 5 9 34 34 LEU .429 .392 .411 4 4 8 35 35 CYS .562 .902 .695 4 2 6 36 36 ARG .555 .554 .554 4 7 11 37 37 GLN .547 .580 .565 4 5 9 38 38 TRP .568 .502 .522 4 10 14 39 39 LEU .575 .479 .529 4 4 8 40 40 ARG .516 1.308 1.089 4 7 11 41 41 PRO .464 .489 .475 4 3 7 42 42 GLU .579 1.242 1.003 4 5 9 43 43 VAL .519 .700 .603 4 3 7 44 44 ARG .301 .820 .679 4 7 11 45 45 SER .233 .624 .407 4 2 6 46 46 LYS .378 1.444 1.105 4 5 9 47 47 GLU .327 2.300 1.728 4 5 9 48 48 GLN .149 1.898 1.418 4 5 9 49 49 MET .156 .523 .386 4 4 8 50 50 LEU .220 .487 .378 4 4 8 51 51 GLU .389 2.011 1.521 4 5 9 52 52 LEU .431 .529 .483 4 4 8 53 53 LEU .212 .252 .233 4 4 8 54 54 VAL .262 .341 .299 4 3 7 55 55 LEU .237 1.128 .815 4 4 8 56 56 GLU .209 1.512 1.136 4 5 9 57 57 GLN .237 .825 .635 4 5 9 58 58 PHE .221 1.101 .889 4 7 11 59 59 LEU .172 1.130 .808 4 4 8 60 60 GLY .258 .000 .258 4 0 4 61 61 ALA .156 .099 .146 4 1 5 62 62 LEU .233 .311 .275 4 4 8 63 63 PRO .299 .348 .321 4 3 7 64 64 PRO .356 .280 .325 4 3 7 65 65 GLU .467 .784 .662 4 5 9 66 66 ILE .472 .474 .473 4 4 8 67 67 GLN .431 .319 .373 4 5 9 68 68 ALA .515 .569 .526 4 1 5 69 69 ARG .482 1.059 .893 4 7 11 70 70 VAL .426 .471 .446 4 3 7 71 71 GLN .469 .273 .373 4 5 9 72 72 GLY .475 .000 .475 4 0 4 73 73 GLN .388 1.008 .795 4 5 9 74 74 ARG .293 1.386 1.119 4 7 11 75 75 PRO .224 .285 .252 4 3 7 76 76 GLY .219 .000 .219 4 0 4 77 77 SER .242 .257 .247 4 2 6 78 78 PRO .253 .278 .264 4 3 7 79 79 GLU .278 .808 .630 4 5 9 80 80 GLU .285 .780 .612 4 5 9 81 81 ALA .307 .306 .307 4 1 5 82 82 ALA .292 .268 .288 4 1 5 83 83 ALA .315 .284 .309 4 1 5 84 84 LEU .330 .360 .346 4 4 8 85 85 VAL .340 .281 .316 4 3 7 86 86 ASP .369 .748 .590 4 4 8 87 87 GLY .614 .000 .614 4 0 4 88 88 LEU 1.107 1.058 1.083 4 4 8 89 89 ARG 1.213 1.007 1.086 4 7 11 90 90 ARG 3.022 6.147 5.232 4 7 11 91 91 GLU 3.751 4.654 4.276 4 5 9 92 92 PRO 5.997 7.310 6.592 4 3 7 93 93 GLY 7.988 .000 7.988 4 0 4 94 94 GLY 10.790 .000 10.790 4 0 4 95 301 GLY 1.174 .000 1.174 4 0 4 96 302 SER 1.541 1.913 1.674 4 2 6 97 303 ASP 1.039 1.314 1.184 4 4 8 98 304 PRO .934 .858 .902 4 3 7 99 305 GLY .481 .000 .481 4 0 4 100 306 PRO .391 .540 .461 4 3 7 101 307 GLU .434 1.536 1.180 4 5 9 102 308 ALA .365 .427 .379 4 1 5 103 309 ALA .310 .326 .313 4 1 5 104 310 ARG .332 1.292 1.050 4 7 11 105 311 LEU .332 .511 .431 4 4 8 106 312 ARG .302 .435 .392 4 7 11 107 313 PHE .333 1.061 .870 4 7 11 108 314 ARG .292 1.206 .978 4 7 11 109 315 CYS .331 1.120 .701 4 2 6 110 316 PHE .264 1.132 .917 4 7 11 111 317 HIS .264 .910 .725 4 6 10 112 318 TYR .234 1.059 .875 4 8 12 113 319 GLU .392 .721 .597 4 5 9 114 320 GLU .488 .714 .624 4 5 9 115 321 ALA .542 .601 .554 4 1 5 116 322 THR .443 .467 .454 4 3 7 117 323 GLY .350 .000 .350 4 0 4 118 324 PRO .258 .311 .282 4 3 7 119 325 GLN .261 .469 .390 4 5 9 120 326 GLU .270 .760 .595 4 5 9 121 327 ALA .255 .247 .254 4 1 5 122 328 LEU .274 .255 .264 4 4 8 123 329 ALA .338 .348 .340 4 1 5 124 330 GLN .347 1.112 .861 4 5 9 125 331 LEU .301 .225 .266 4 4 8 126 332 ARG .261 2.168 1.737 4 7 11 127 333 GLU .404 .810 .661 4 5 9 128 334 LEU .395 .401 .398 4 4 8 129 335 CYS .590 .911 .713 4 2 6 130 336 ARG .555 .531 .540 4 7 11 131 337 GLN .574 .589 .583 4 5 9 132 338 TRP .599 .527 .548 4 10 14 133 339 LEU .596 .507 .554 4 4 8 134 340 ARG .535 1.307 1.091 4 7 11 135 341 PRO .480 .506 .491 4 3 7 136 342 GLU .598 1.418 1.130 4 5 9 137 343 VAL .534 .765 .644 4 3 7 138 344 ARG .315 .781 .651 4 7 11 139 345 SER .233 .615 .403 4 2 6 140 346 LYS .378 1.229 .950 4 5 9 141 347 GLU .332 2.322 1.745 4 5 9 142 348 GLN .142 1.904 1.423 4 5 9 143 349 MET .168 .584 .429 4 4 8 144 350 LEU .216 .519 .398 4 4 8 145 351 GLU .389 2.045 1.546 4 5 9 146 352 LEU .444 .521 .484 4 4 8 147 353 LEU .225 .265 .246 4 4 8 148 354 VAL .272 .336 .302 4 3 7 149 355 LEU .253 .872 .642 4 4 8 150 356 GLU .229 1.671 1.255 4 5 9 151 357 GLN .264 .851 .658 4 5 9 152 358 PHE .217 .680 .558 4 7 11 153 359 LEU .181 1.230 .879 4 4 8 154 360 GLY .262 .000 .262 4 0 4 155 361 ALA .173 .143 .168 4 1 5 156 362 LEU .229 .363 .303 4 4 8 157 363 PRO .297 .364 .327 4 3 7 158 364 PRO .350 .268 .317 4 3 7 159 365 GLU .492 .808 .686 4 5 9 160 366 ILE .496 .508 .502 4 4 8 161 367 GLN .449 .326 .385 4 5 9 162 368 ALA .554 .605 .565 4 1 5 163 369 ARG .511 1.170 .983 4 7 11 164 370 VAL .439 .463 .449 4 3 7 165 371 GLN .503 .320 .412 4 5 9 166 372 GLY .490 .000 .490 4 0 4 167 373 GLN .439 1.375 1.066 4 5 9 168 374 ARG .278 1.093 .888 4 7 11 169 375 PRO .200 .271 .233 4 3 7 170 376 GLY .192 .000 .192 4 0 4 171 377 SER .227 .253 .236 4 2 6 172 378 PRO .242 .267 .253 4 3 7 173 379 GLU .267 .819 .636 4 5 9 174 380 GLU .260 .766 .597 4 5 9 175 381 ALA .326 .362 .333 4 1 5 176 382 ALA .316 .317 .316 4 1 5 177 383 ALA .286 .219 .274 4 1 5 178 384 LEU .257 .316 .288 4 4 8 179 385 VAL .417 1.684 1.147 4 3 7 180 386 ASP .458 .888 .706 4 4 8 181 387 GLY .555 .000 .555 4 0 4 182 388 LEU 1.071 .995 1.034 4 4 8 183 389 ARG 1.165 1.005 1.066 4 7 11 184 390 ARG 3.036 6.096 5.196 4 7 11 185 391 GLU 3.778 4.700 4.314 4 5 9 186 392 PRO 6.024 7.347 6.623 4 3 7 187 393 GLY 7.998 .000 7.998 4 0 4 188 394 GLY 10.363 .000 10.363 3 0 3 ENDMDL Model RMS deviations: 1.6040 1.5581 1.5816 751 724 1475 MODEL 10 1 1 GLY 1.983 .000 1.983 4 0 4 2 2 SER 1.012 .718 .925 4 2 6 3 3 ASP .586 1.766 1.316 4 4 8 4 4 PRO .725 .788 .752 4 3 7 5 5 GLY .421 .000 .421 4 0 4 6 6 PRO .232 .325 .276 4 3 7 7 7 GLU .102 1.707 1.274 4 5 9 8 8 ALA .162 .192 .169 4 1 5 9 9 ALA .208 .239 .214 4 1 5 10 10 ARG .170 .605 .494 4 7 11 11 11 LEU .171 .388 .300 4 4 8 12 12 ARG .214 .384 .332 4 7 11 13 13 PHE .210 .936 .757 4 7 11 14 14 ARG .184 1.483 1.189 4 7 11 15 15 CYS .169 1.119 .660 4 2 6 16 16 PHE .230 .862 .701 4 7 11 17 17 HIS .284 1.453 1.140 4 6 10 18 18 TYR .179 .723 .599 4 8 12 19 19 GLU .302 .844 .661 4 5 9 20 20 GLU .409 .827 .674 4 5 9 21 21 ALA .446 .484 .454 4 1 5 22 22 THR .455 .466 .460 4 3 7 23 23 GLY .433 .000 .433 4 0 4 24 24 PRO .377 .386 .381 4 3 7 25 25 GLN .375 .456 .422 4 5 9 26 26 GLU .374 .868 .693 4 5 9 27 27 ALA .336 .304 .330 4 1 5 28 28 LEU .441 .503 .473 4 4 8 29 29 ALA .506 .497 .504 4 1 5 30 30 GLN .259 1.082 .824 4 5 9 31 31 LEU .238 .198 .219 4 4 8 32 32 ARG .270 1.141 .925 4 7 11 33 33 GLU .243 .888 .682 4 5 9 34 34 LEU .265 .293 .279 4 4 8 35 35 CYS .216 .969 .587 4 2 6 36 36 ARG .190 1.074 .864 4 7 11 37 37 GLN .299 .430 .377 4 5 9 38 38 TRP .202 .186 .191 4 10 14 39 39 LEU .201 .205 .203 4 4 8 40 40 ARG .078 1.287 1.028 4 7 11 41 41 PRO .084 .154 .119 4 3 7 42 42 GLU .143 2.298 1.715 4 5 9 43 43 VAL .199 .337 .267 4 3 7 44 44 ARG .217 1.017 .822 4 7 11 45 45 SER .127 .614 .369 4 2 6 46 46 LYS .121 .508 .387 4 5 9 47 47 GLU .296 1.349 1.025 4 5 9 48 48 GLN .362 1.573 1.197 4 5 9 49 49 MET .277 .436 .365 4 4 8 50 50 LEU .365 .430 .399 4 4 8 51 51 GLU .340 .986 .769 4 5 9 52 52 LEU .341 .311 .326 4 4 8 53 53 LEU .260 .205 .234 4 4 8 54 54 VAL .291 .354 .320 4 3 7 55 55 LEU .337 .899 .679 4 4 8 56 56 GLU .246 1.303 .985 4 5 9 57 57 GLN .232 .816 .627 4 5 9 58 58 PHE .273 .782 .645 4 7 11 59 59 LEU .316 1.163 .852 4 4 8 60 60 GLY .342 .000 .342 4 0 4 61 61 ALA .387 .415 .393 4 1 5 62 62 LEU .318 .272 .296 4 4 8 63 63 PRO .317 .417 .363 4 3 7 64 64 PRO .228 .331 .277 4 3 7 65 65 GLU .300 3.475 2.598 4 5 9 66 66 ILE .296 .422 .364 4 4 8 67 67 GLN .174 .245 .216 4 5 9 68 68 ALA .346 .226 .325 4 1 5 69 69 ARG .507 1.853 1.510 4 7 11 70 70 VAL .533 .445 .497 4 3 7 71 71 GLN .550 .366 .457 4 5 9 72 72 GLY .783 .000 .783 4 0 4 73 73 GLN .757 1.777 1.417 4 5 9 74 74 ARG .801 1.325 1.162 4 7 11 75 75 PRO .775 .654 .726 4 3 7 76 76 GLY .828 .000 .828 4 0 4 77 77 SER .701 .996 .811 4 2 6 78 78 PRO .570 .656 .608 4 3 7 79 79 GLU .640 1.230 1.012 4 5 9 80 80 GLU .637 .937 .818 4 5 9 81 81 ALA .486 .272 .451 4 1 5 82 82 ALA .621 .536 .605 4 1 5 83 83 ALA .867 .648 .828 4 1 5 84 84 LEU .836 1.089 .971 4 4 8 85 85 VAL .574 .436 .519 4 3 7 86 86 ASP .789 .948 .872 4 4 8 87 87 GLY .811 .000 .811 4 0 4 88 88 LEU .829 2.526 1.880 4 4 8 89 89 ARG 1.051 1.097 1.081 4 7 11 90 90 ARG 1.991 3.857 3.303 4 7 11 91 91 GLU 3.401 5.910 4.954 4 5 9 92 92 PRO 5.690 6.011 5.829 4 3 7 93 93 GLY 5.311 .000 5.311 4 0 4 94 94 GLY 5.887 .000 5.887 4 0 4 95 301 GLY 1.991 .000 1.991 4 0 4 96 302 SER 1.017 .720 .929 4 2 6 97 303 ASP .584 1.776 1.322 4 4 8 98 304 PRO .721 .789 .751 4 3 7 99 305 GLY .413 .000 .413 4 0 4 100 306 PRO .215 .309 .260 4 3 7 101 307 GLU .096 1.701 1.269 4 5 9 102 308 ALA .148 .188 .157 4 1 5 103 309 ALA .219 .233 .222 4 1 5 104 310 ARG .199 .778 .632 4 7 11 105 311 LEU .191 .388 .306 4 4 8 106 312 ARG .176 .403 .338 4 7 11 107 313 PHE .254 .846 .692 4 7 11 108 314 ARG .264 1.045 .849 4 7 11 109 315 CYS .195 1.126 .669 4 2 6 110 316 PHE .226 1.100 .888 4 7 11 111 317 HIS .273 1.431 1.122 4 6 10 112 318 TYR .181 1.060 .872 4 8 12 113 319 GLU .342 .916 .720 4 5 9 114 320 GLU .439 .845 .694 4 5 9 115 321 ALA .471 .519 .481 4 1 5 116 322 THR .477 .502 .488 4 3 7 117 323 GLY .441 .000 .441 4 0 4 118 324 PRO .364 .376 .369 4 3 7 119 325 GLN .350 .404 .381 4 5 9 120 326 GLU .363 .857 .683 4 5 9 121 327 ALA .347 .325 .342 4 1 5 122 328 LEU .449 .506 .478 4 4 8 123 329 ALA .518 .493 .513 4 1 5 124 330 GLN .247 .940 .720 4 5 9 125 331 LEU .317 .284 .301 4 4 8 126 332 ARG .319 1.631 1.315 4 7 11 127 333 GLU .354 .965 .757 4 5 9 128 334 LEU .329 .410 .372 4 4 8 129 335 CYS .369 .798 .551 4 2 6 130 336 ARG .525 2.893 2.330 4 7 11 131 337 GLN .594 1.468 1.164 4 5 9 132 338 TRP .340 .274 .294 4 10 14 133 339 LEU .295 .254 .276 4 4 8 134 340 ARG .163 1.289 1.033 4 7 11 135 341 PRO .148 .267 .207 4 3 7 136 342 GLU .137 2.449 1.828 4 5 9 137 343 VAL .208 .337 .271 4 3 7 138 344 ARG .226 .358 .317 4 7 11 139 345 SER .114 .627 .374 4 2 6 140 346 LYS .106 .649 .489 4 5 9 141 347 GLU .341 1.313 1.005 4 5 9 142 348 GLN .410 1.601 1.224 4 5 9 143 349 MET .285 .512 .414 4 4 8 144 350 LEU .351 .479 .420 4 4 8 145 351 GLU .342 .942 .738 4 5 9 146 352 LEU .345 .302 .324 4 4 8 147 353 LEU .246 .212 .230 4 4 8 148 354 VAL .227 .300 .261 4 3 7 149 355 LEU .290 1.095 .801 4 4 8 150 356 GLU .240 1.366 1.031 4 5 9 151 357 GLN .260 .838 .648 4 5 9 152 358 PHE .325 1.221 .993 4 7 11 153 359 LEU .357 1.272 .934 4 4 8 154 360 GLY .364 .000 .364 4 0 4 155 361 ALA .401 .429 .407 4 1 5 156 362 LEU .327 .260 .295 4 4 8 157 363 PRO .317 .405 .358 4 3 7 158 364 PRO .233 .328 .277 4 3 7 159 365 GLU .285 3.496 2.613 4 5 9 160 366 ILE .277 .400 .344 4 4 8 161 367 GLN .160 .233 .204 4 5 9 162 368 ALA .331 .206 .310 4 1 5 163 369 ARG .487 1.887 1.534 4 7 11 164 370 VAL .528 .441 .493 4 3 7 165 371 GLN .527 .420 .470 4 5 9 166 372 GLY .760 .000 .760 4 0 4 167 373 GLN .743 1.804 1.433 4 5 9 168 374 ARG .784 1.140 1.025 4 7 11 169 375 PRO .763 .648 .716 4 3 7 170 376 GLY .819 .000 .819 4 0 4 171 377 SER .698 .992 .808 4 2 6 172 378 PRO .579 .664 .617 4 3 7 173 379 GLU .636 1.232 1.011 4 5 9 174 380 GLU .637 .935 .816 4 5 9 175 381 ALA .502 .295 .468 4 1 5 176 382 ALA .632 .545 .616 4 1 5 177 383 ALA .869 .648 .830 4 1 5 178 384 LEU .856 1.093 .982 4 4 8 179 385 VAL .607 .589 .599 4 3 7 180 386 ASP .799 .965 .886 4 4 8 181 387 GLY .795 .000 .795 4 0 4 182 388 LEU .821 2.529 1.880 4 4 8 183 389 ARG 1.024 1.140 1.100 4 7 11 184 390 ARG 1.993 3.869 3.312 4 7 11 185 391 GLU 3.385 5.902 4.944 4 5 9 186 392 PRO 5.671 5.997 5.813 4 3 7 187 393 GLY 5.290 .000 5.290 4 0 4 188 394 GLY 6.000 .000 6.000 3 0 3 ENDMDL Model RMS deviations: 1.1740 1.5142 1.3517 751 724 1475 MODEL 11 1 1 GLY 3.718 .000 3.718 4 0 4 2 2 SER 1.827 1.560 1.743 4 2 6 3 3 ASP .584 2.181 1.597 4 4 8 4 4 PRO .485 .626 .550 4 3 7 5 5 GLY .376 .000 .376 4 0 4 6 6 PRO .378 .489 .429 4 3 7 7 7 GLU .304 1.297 .988 4 5 9 8 8 ALA .478 .572 .499 4 1 5 9 9 ALA .454 .442 .452 4 1 5 10 10 ARG .381 .568 .508 4 7 11 11 11 LEU .345 .324 .335 4 4 8 12 12 ARG .233 .389 .341 4 7 11 13 13 PHE .284 .935 .765 4 7 11 14 14 ARG .515 2.062 1.674 4 7 11 15 15 CYS .444 .553 .483 4 2 6 16 16 PHE .321 1.091 .891 4 7 11 17 17 HIS .247 .671 .543 4 6 10 18 18 TYR .229 .713 .597 4 8 12 19 19 GLU .188 .796 .606 4 5 9 20 20 GLU .299 .805 .632 4 5 9 21 21 ALA .364 .307 .353 4 1 5 22 22 THR .342 .347 .344 4 3 7 23 23 GLY .346 .000 .346 4 0 4 24 24 PRO .288 .299 .293 4 3 7 25 25 GLN .325 .452 .400 4 5 9 26 26 GLU .322 .633 .518 4 5 9 27 27 ALA .261 .248 .258 4 1 5 28 28 LEU .234 .182 .210 4 4 8 29 29 ALA .275 .256 .272 4 1 5 30 30 GLN .321 1.119 .861 4 5 9 31 31 LEU .182 .164 .173 4 4 8 32 32 ARG .182 .920 .742 4 7 11 33 33 GLU .210 1.998 1.496 4 5 9 34 34 LEU .140 .222 .185 4 4 8 35 35 CYS .360 .673 .487 4 2 6 36 36 ARG .475 .725 .646 4 7 11 37 37 GLN .426 .341 .381 4 5 9 38 38 TRP .493 .475 .480 4 10 14 39 39 LEU .607 .450 .534 4 4 8 40 40 ARG .694 1.471 1.246 4 7 11 41 41 PRO .681 .687 .684 4 3 7 42 42 GLU .815 1.750 1.413 4 5 9 43 43 VAL .771 .965 .860 4 3 7 44 44 ARG .505 1.434 1.184 4 7 11 45 45 SER .289 .400 .330 4 2 6 46 46 LYS .271 .542 .442 4 5 9 47 47 GLU .361 1.974 1.491 4 5 9 48 48 GLN .326 1.560 1.183 4 5 9 49 49 MET .200 .405 .319 4 4 8 50 50 LEU .151 1.950 1.383 4 4 8 51 51 GLU .223 1.058 .803 4 5 9 52 52 LEU .427 .576 .507 4 4 8 53 53 LEU .224 .301 .265 4 4 8 54 54 VAL .295 .293 .294 4 3 7 55 55 LEU .363 1.015 .763 4 4 8 56 56 GLU .471 2.193 1.665 4 5 9 57 57 GLN .418 .861 .699 4 5 9 58 58 PHE .328 .759 .637 4 7 11 59 59 LEU .365 1.187 .878 4 4 8 60 60 GLY .423 .000 .423 4 0 4 61 61 ALA .373 .368 .372 4 1 5 62 62 LEU .322 .246 .287 4 4 8 63 63 PRO .325 .309 .318 4 3 7 64 64 PRO .347 .414 .377 4 3 7 65 65 GLU .281 .939 .725 4 5 9 66 66 ILE .225 .230 .228 4 4 8 67 67 GLN .261 .362 .321 4 5 9 68 68 ALA .245 .277 .252 4 1 5 69 69 ARG .270 .767 .633 4 7 11 70 70 VAL .330 .421 .372 4 3 7 71 71 GLN .311 .642 .522 4 5 9 72 72 GLY .308 .000 .308 4 0 4 73 73 GLN .284 .866 .672 4 5 9 74 74 ARG .145 1.026 .823 4 7 11 75 75 PRO .215 .212 .214 4 3 7 76 76 GLY .461 .000 .461 4 0 4 77 77 SER .111 .331 .211 4 2 6 78 78 PRO .117 .222 .170 4 3 7 79 79 GLU .189 .947 .717 4 5 9 80 80 GLU .169 .719 .548 4 5 9 81 81 ALA .212 .223 .214 4 1 5 82 82 ALA .233 .217 .230 4 1 5 83 83 ALA .253 .248 .252 4 1 5 84 84 LEU .297 .239 .269 4 4 8 85 85 VAL .327 .345 .335 4 3 7 86 86 ASP .339 .780 .601 4 4 8 87 87 GLY .405 .000 .405 4 0 4 88 88 LEU .462 .910 .722 4 4 8 89 89 ARG .958 .877 .907 4 7 11 90 90 ARG 1.097 3.726 3.045 4 7 11 91 91 GLU 2.864 5.744 4.688 4 5 9 92 92 PRO 5.061 5.634 5.314 4 3 7 93 93 GLY 5.059 .000 5.059 4 0 4 94 94 GLY 5.740 .000 5.740 4 0 4 95 301 GLY 3.708 .000 3.708 4 0 4 96 302 SER 1.814 1.549 1.730 4 2 6 97 303 ASP .572 2.187 1.598 4 4 8 98 304 PRO .469 .609 .534 4 3 7 99 305 GLY .361 .000 .361 4 0 4 100 306 PRO .364 .479 .417 4 3 7 101 307 GLU .291 1.291 .982 4 5 9 102 308 ALA .471 .560 .490 4 1 5 103 309 ALA .447 .426 .443 4 1 5 104 310 ARG .379 .545 .491 4 7 11 105 311 LEU .357 .335 .346 4 4 8 106 312 ARG .255 .403 .356 4 7 11 107 313 PHE .290 .844 .695 4 7 11 108 314 ARG .530 1.956 1.593 4 7 11 109 315 CYS .455 .558 .492 4 2 6 110 316 PHE .270 .852 .699 4 7 11 111 317 HIS .248 .726 .584 4 6 10 112 318 TYR .260 1.041 .863 4 8 12 113 319 GLU .261 .813 .630 4 5 9 114 320 GLU .326 .847 .668 4 5 9 115 321 ALA .376 .316 .365 4 1 5 116 322 THR .350 .355 .352 4 3 7 117 323 GLY .354 .000 .354 4 0 4 118 324 PRO .286 .301 .293 4 3 7 119 325 GLN .340 .471 .418 4 5 9 120 326 GLU .335 .635 .523 4 5 9 121 327 ALA .279 .284 .280 4 1 5 122 328 LEU .218 .163 .192 4 4 8 123 329 ALA .274 .250 .269 4 1 5 124 330 GLN .323 1.131 .870 4 5 9 125 331 LEU .180 .198 .189 4 4 8 126 332 ARG .189 .889 .719 4 7 11 127 333 GLU .219 2.012 1.506 4 5 9 128 334 LEU .146 .230 .193 4 4 8 129 335 CYS .344 .694 .490 4 2 6 130 336 ARG .481 .712 .638 4 7 11 131 337 GLN .417 .400 .408 4 5 9 132 338 TRP .488 .472 .477 4 10 14 133 339 LEU .596 .444 .526 4 4 8 134 340 ARG .678 1.461 1.235 4 7 11 135 341 PRO .663 .670 .666 4 3 7 136 342 GLU .793 1.771 1.422 4 5 9 137 343 VAL .753 .913 .825 4 3 7 138 344 ARG .502 1.439 1.187 4 7 11 139 345 SER .306 .400 .341 4 2 6 140 346 LYS .274 .651 .519 4 5 9 141 347 GLU .326 1.947 1.467 4 5 9 142 348 GLN .302 1.541 1.166 4 5 9 143 349 MET .189 .342 .276 4 4 8 144 350 LEU .150 1.859 1.319 4 4 8 145 351 GLU .218 1.075 .815 4 5 9 146 352 LEU .412 .533 .476 4 4 8 147 353 LEU .216 .301 .262 4 4 8 148 354 VAL .274 .300 .285 4 3 7 149 355 LEU .323 .767 .588 4 4 8 150 356 GLU .438 2.064 1.566 4 5 9 151 357 GLN .404 .890 .716 4 5 9 152 358 PHE .286 1.175 .953 4 7 11 153 359 LEU .474 1.286 .969 4 4 8 154 360 GLY .509 .000 .509 4 0 4 155 361 ALA .416 .389 .411 4 1 5 156 362 LEU .381 .338 .360 4 4 8 157 363 PRO .367 .349 .359 4 3 7 158 364 PRO .368 .415 .389 4 3 7 159 365 GLU .315 .933 .727 4 5 9 160 366 ILE .273 .263 .268 4 4 8 161 367 GLN .313 .414 .372 4 5 9 162 368 ALA .305 .333 .311 4 1 5 163 369 ARG .248 1.054 .854 4 7 11 164 370 VAL .229 .427 .329 4 3 7 165 371 GLN .361 .505 .447 4 5 9 166 372 GLY .382 .000 .382 4 0 4 167 373 GLN .469 1.956 1.491 4 5 9 168 374 ARG .237 1.096 .886 4 7 11 169 375 PRO .276 .243 .262 4 3 7 170 376 GLY .549 .000 .549 4 0 4 171 377 SER .116 .338 .217 4 2 6 172 378 PRO .113 .207 .160 4 3 7 173 379 GLU .177 .958 .723 4 5 9 174 380 GLU .151 .706 .536 4 5 9 175 381 ALA .236 .268 .243 4 1 5 176 382 ALA .241 .224 .237 4 1 5 177 383 ALA .239 .199 .231 4 1 5 178 384 LEU .304 .255 .281 4 4 8 179 385 VAL .392 .638 .512 4 3 7 180 386 ASP .400 .817 .643 4 4 8 181 387 GLY .428 .000 .428 4 0 4 182 388 LEU .477 .934 .742 4 4 8 183 389 ARG .958 .868 .902 4 7 11 184 390 ARG 1.097 3.711 3.033 4 7 11 185 391 GLU 2.863 5.747 4.690 4 5 9 186 392 PRO 5.060 5.638 5.315 4 3 7 187 393 GLY 5.049 .000 5.049 4 0 4 188 394 GLY 5.433 .000 5.433 3 0 3 ENDMDL Model RMS deviations: 1.1205 1.3901 1.2601 751 724 1475 MODEL 12 1 1 GLY 2.197 .000 2.197 4 0 4 2 2 SER 1.266 2.390 1.724 4 2 6 3 3 ASP .684 .896 .797 4 4 8 4 4 PRO .595 .482 .549 4 3 7 5 5 GLY .517 .000 .517 4 0 4 6 6 PRO .578 .619 .596 4 3 7 7 7 GLU .640 2.016 1.562 4 5 9 8 8 ALA .676 .545 .652 4 1 5 9 9 ALA .618 .575 .610 4 1 5 10 10 ARG .883 1.333 1.189 4 7 11 11 11 LEU .648 2.757 2.003 4 4 8 12 12 ARG .538 .787 .707 4 7 11 13 13 PHE .414 .969 .812 4 7 11 14 14 ARG .572 1.453 1.209 4 7 11 15 15 CYS .506 .912 .669 4 2 6 16 16 PHE .527 1.100 .933 4 7 11 17 17 HIS .369 .994 .804 4 6 10 18 18 TYR .456 .874 .761 4 8 12 19 19 GLU .615 .848 .754 4 5 9 20 20 GLU .764 .938 .865 4 5 9 21 21 ALA .805 .743 .793 4 1 5 22 22 THR .864 .852 .859 4 3 7 23 23 GLY .874 .000 .874 4 0 4 24 24 PRO .861 .884 .871 4 3 7 25 25 GLN .904 1.202 1.080 4 5 9 26 26 GLU .805 1.332 1.128 4 5 9 27 27 ALA .762 .748 .760 4 1 5 28 28 LEU .669 .717 .693 4 4 8 29 29 ALA .670 .686 .674 4 1 5 30 30 GLN .548 1.111 .905 4 5 9 31 31 LEU .486 .631 .563 4 4 8 32 32 ARG .569 1.509 1.251 4 7 11 33 33 GLU .547 1.072 .878 4 5 9 34 34 LEU .395 .437 .416 4 4 8 35 35 CYS .359 .883 .588 4 2 6 36 36 ARG .384 .838 .708 4 7 11 37 37 GLN .347 .497 .436 4 5 9 38 38 TRP .233 .226 .228 4 10 14 39 39 LEU .366 .428 .398 4 4 8 40 40 ARG .424 1.624 1.321 4 7 11 41 41 PRO .394 .512 .449 4 3 7 42 42 GLU .406 1.733 1.319 4 5 9 43 43 VAL .420 .538 .474 4 3 7 44 44 ARG .402 .981 .819 4 7 11 45 45 SER .323 .307 .318 4 2 6 46 46 LYS .385 1.304 1.005 4 5 9 47 47 GLU .656 2.345 1.802 4 5 9 48 48 GLN .656 1.493 1.196 4 5 9 49 49 MET .361 .480 .425 4 4 8 50 50 LEU .391 .436 .414 4 4 8 51 51 GLU .311 1.112 .855 4 5 9 52 52 LEU .530 .628 .581 4 4 8 53 53 LEU .565 .919 .763 4 4 8 54 54 VAL .614 .621 .617 4 3 7 55 55 LEU .560 1.198 .935 4 4 8 56 56 GLU .432 1.355 1.050 4 5 9 57 57 GLN .320 .878 .688 4 5 9 58 58 PHE .450 .945 .801 4 7 11 59 59 LEU .560 .953 .782 4 4 8 60 60 GLY .483 .000 .483 4 0 4 61 61 ALA .496 .496 .496 4 1 5 62 62 LEU .486 .464 .475 4 4 8 63 63 PRO .515 .515 .515 4 3 7 64 64 PRO .547 .607 .574 4 3 7 65 65 GLU .504 1.128 .905 4 5 9 66 66 ILE .408 .427 .418 4 4 8 67 67 GLN .417 .491 .460 4 5 9 68 68 ALA .507 .569 .520 4 1 5 69 69 ARG .467 1.836 1.491 4 7 11 70 70 VAL .582 1.315 .966 4 3 7 71 71 GLN .506 .594 .557 4 5 9 72 72 GLY .534 .000 .534 4 0 4 73 73 GLN .629 1.184 .977 4 5 9 74 74 ARG .787 1.080 .983 4 7 11 75 75 PRO .862 .719 .804 4 3 7 76 76 GLY 1.129 .000 1.129 4 0 4 77 77 SER .856 .792 .835 4 2 6 78 78 PRO .831 .865 .846 4 3 7 79 79 GLU .845 1.351 1.154 4 5 9 80 80 GLU .837 1.044 .958 4 5 9 81 81 ALA .849 .764 .833 4 1 5 82 82 ALA .914 .850 .902 4 1 5 83 83 ALA 1.032 .992 1.024 4 1 5 84 84 LEU 1.058 .975 1.017 4 4 8 85 85 VAL .968 .835 .913 4 3 7 86 86 ASP 1.044 1.292 1.175 4 4 8 87 87 GLY 1.075 .000 1.075 4 0 4 88 88 LEU .856 .963 .911 4 4 8 89 89 ARG .944 1.565 1.372 4 7 11 90 90 ARG 1.088 5.727 4.615 4 7 11 91 91 GLU 3.096 5.765 4.767 4 5 9 92 92 PRO 4.945 5.022 4.978 4 3 7 93 93 GLY 8.022 .000 8.022 4 0 4 94 94 GLY 9.526 .000 9.526 4 0 4 95 301 GLY 2.203 .000 2.203 4 0 4 96 302 SER 1.274 2.388 1.727 4 2 6 97 303 ASP .686 .898 .799 4 4 8 98 304 PRO .599 .486 .553 4 3 7 99 305 GLY .521 .000 .521 4 0 4 100 306 PRO .586 .623 .602 4 3 7 101 307 GLU .648 2.018 1.565 4 5 9 102 308 ALA .691 .575 .669 4 1 5 103 309 ALA .617 .573 .609 4 1 5 104 310 ARG .865 1.330 1.182 4 7 11 105 311 LEU .620 2.747 1.991 4 4 8 106 312 ARG .477 .682 .616 4 7 11 107 313 PHE .362 .865 .724 4 7 11 108 314 ARG .539 1.651 1.356 4 7 11 109 315 CYS .466 .805 .601 4 2 6 110 316 PHE .401 1.182 .973 4 7 11 111 317 HIS .348 1.054 .845 4 6 10 112 318 TYR .458 .877 .764 4 8 12 113 319 GLU .608 .859 .758 4 5 9 114 320 GLU .759 .923 .854 4 5 9 115 321 ALA .787 .756 .781 4 1 5 116 322 THR .838 .869 .851 4 3 7 117 323 GLY .853 .000 .853 4 0 4 118 324 PRO .850 .860 .854 4 3 7 119 325 GLN .888 1.167 1.052 4 5 9 120 326 GLU .798 1.212 1.048 4 5 9 121 327 ALA .755 .736 .751 4 1 5 122 328 LEU .674 .715 .695 4 4 8 123 329 ALA .684 .712 .689 4 1 5 124 330 GLN .562 1.182 .957 4 5 9 125 331 LEU .485 .620 .557 4 4 8 126 332 ARG .561 1.444 1.200 4 7 11 127 333 GLU .535 1.055 .864 4 5 9 128 334 LEU .377 .365 .371 4 4 8 129 335 CYS .375 .904 .605 4 2 6 130 336 ARG .370 .715 .613 4 7 11 131 337 GLN .322 .534 .452 4 5 9 132 338 TRP .224 .241 .236 4 10 14 133 339 LEU .429 .485 .458 4 4 8 134 340 ARG .476 1.761 1.434 4 7 11 135 341 PRO .427 .551 .484 4 3 7 136 342 GLU .469 1.805 1.381 4 5 9 137 343 VAL .457 .592 .519 4 3 7 138 344 ARG .370 .864 .724 4 7 11 139 345 SER .338 .312 .330 4 2 6 140 346 LYS .411 1.150 .900 4 5 9 141 347 GLU .542 2.212 1.688 4 5 9 142 348 GLN .512 1.516 1.181 4 5 9 143 349 MET .375 1.241 .917 4 4 8 144 350 LEU .350 .520 .444 4 4 8 145 351 GLU .296 1.079 .828 4 5 9 146 352 LEU .508 .628 .571 4 4 8 147 353 LEU .553 .889 .740 4 4 8 148 354 VAL .608 .608 .608 4 3 7 149 355 LEU .558 .988 .802 4 4 8 150 356 GLU .434 1.491 1.148 4 5 9 151 357 GLN .333 .843 .666 4 5 9 152 358 PHE .446 .888 .757 4 7 11 153 359 LEU .538 .873 .725 4 4 8 154 360 GLY .489 .000 .489 4 0 4 155 361 ALA .508 .493 .505 4 1 5 156 362 LEU .488 .478 .483 4 4 8 157 363 PRO .518 .520 .519 4 3 7 158 364 PRO .549 .607 .574 4 3 7 159 365 GLU .503 1.128 .905 4 5 9 160 366 ILE .405 .427 .416 4 4 8 161 367 GLN .414 .472 .447 4 5 9 162 368 ALA .504 .571 .518 4 1 5 163 369 ARG .459 1.835 1.490 4 7 11 164 370 VAL .569 1.306 .957 4 3 7 165 371 GLN .492 .565 .534 4 5 9 166 372 GLY .540 .000 .540 4 0 4 167 373 GLN .637 1.186 .981 4 5 9 168 374 ARG .787 1.207 1.073 4 7 11 169 375 PRO .866 .716 .805 4 3 7 170 376 GLY 1.130 .000 1.130 4 0 4 171 377 SER .850 .793 .831 4 2 6 172 378 PRO .823 .855 .837 4 3 7 173 379 GLU .842 1.335 1.142 4 5 9 174 380 GLU .842 1.049 .963 4 5 9 175 381 ALA .856 .768 .839 4 1 5 176 382 ALA .926 .857 .913 4 1 5 177 383 ALA 1.036 .995 1.028 4 1 5 178 384 LEU 1.076 .990 1.034 4 4 8 179 385 VAL .980 .947 .966 4 3 7 180 386 ASP 1.044 1.256 1.155 4 4 8 181 387 GLY 1.095 .000 1.095 4 0 4 182 388 LEU .866 .971 .920 4 4 8 183 389 ARG .951 1.603 1.401 4 7 11 184 390 ARG 1.096 5.749 4.634 4 7 11 185 391 GLU 3.080 5.741 4.746 4 5 9 186 392 PRO 4.933 5.012 4.967 4 3 7 187 393 GLY 8.010 .000 8.010 4 0 4 188 394 GLY 9.405 .000 9.405 3 0 3 ENDMDL Model RMS deviations: 1.5323 1.5923 1.5621 751 724 1475 MODEL 13 1 1 GLY 2.491 .000 2.491 4 0 4 2 2 SER 2.198 3.065 2.520 4 2 6 3 3 ASP .979 1.325 1.165 4 4 8 4 4 PRO .613 .442 .547 4 3 7 5 5 GLY .231 .000 .231 4 0 4 6 6 PRO .309 .398 .350 4 3 7 7 7 GLU .411 .839 .682 4 5 9 8 8 ALA .356 .358 .356 4 1 5 9 9 ALA .318 .326 .319 4 1 5 10 10 ARG .353 2.180 1.752 4 7 11 11 11 LEU .328 .409 .371 4 4 8 12 12 ARG .216 .533 .445 4 7 11 13 13 PHE .307 .957 .786 4 7 11 14 14 ARG .338 1.056 .866 4 7 11 15 15 CYS .493 .637 .545 4 2 6 16 16 PHE .492 1.084 .914 4 7 11 17 17 HIS .791 1.807 1.486 4 6 10 18 18 TYR .737 .882 .837 4 8 12 19 19 GLU .718 1.420 1.162 4 5 9 20 20 GLU .633 1.003 .859 4 5 9 21 21 ALA .744 .839 .764 4 1 5 22 22 THR .639 .670 .652 4 3 7 23 23 GLY .484 .000 .484 4 0 4 24 24 PRO .325 .302 .315 4 3 7 25 25 GLN .402 .532 .479 4 5 9 26 26 GLU .500 .951 .783 4 5 9 27 27 ALA .354 .364 .356 4 1 5 28 28 LEU .352 .376 .364 4 4 8 29 29 ALA .404 .492 .423 4 1 5 30 30 GLN .306 1.417 1.076 4 5 9 31 31 LEU .315 .296 .306 4 4 8 32 32 ARG .481 1.144 .957 4 7 11 33 33 GLU .419 1.207 .942 4 5 9 34 34 LEU .389 .305 .349 4 4 8 35 35 CYS .363 1.270 .791 4 2 6 36 36 ARG .423 .875 .743 4 7 11 37 37 GLN .403 .497 .458 4 5 9 38 38 TRP .323 .413 .389 4 10 14 39 39 LEU .504 .620 .565 4 4 8 40 40 ARG .299 2.088 1.675 4 7 11 41 41 PRO .281 .361 .318 4 3 7 42 42 GLU .416 1.941 1.473 4 5 9 43 43 VAL .360 .603 .480 4 3 7 44 44 ARG .150 .523 .426 4 7 11 45 45 SER .155 .444 .286 4 2 6 46 46 LYS .100 .474 .360 4 5 9 47 47 GLU .218 1.337 1.007 4 5 9 48 48 GLN .356 1.217 .938 4 5 9 49 49 MET .321 .494 .417 4 4 8 50 50 LEU .419 .475 .448 4 4 8 51 51 GLU .453 1.474 1.140 4 5 9 52 52 LEU .306 .472 .398 4 4 8 53 53 LEU .352 .823 .633 4 4 8 54 54 VAL .408 .365 .390 4 3 7 55 55 LEU .357 .961 .725 4 4 8 56 56 GLU .451 1.289 1.007 4 5 9 57 57 GLN .461 .954 .775 4 5 9 58 58 PHE .461 1.139 .950 4 7 11 59 59 LEU .505 .841 .694 4 4 8 60 60 GLY .562 .000 .562 4 0 4 61 61 ALA .585 .548 .578 4 1 5 62 62 LEU .604 .530 .568 4 4 8 63 63 PRO .679 .675 .677 4 3 7 64 64 PRO .755 .806 .777 4 3 7 65 65 GLU .708 .995 .879 4 5 9 66 66 ILE .609 .596 .603 4 4 8 67 67 GLN .604 .630 .619 4 5 9 68 68 ALA .648 .707 .660 4 1 5 69 69 ARG .572 1.288 1.084 4 7 11 70 70 VAL .524 .490 .510 4 3 7 71 71 GLN .579 .880 .761 4 5 9 72 72 GLY .556 .000 .556 4 0 4 73 73 GLN .522 .873 .738 4 5 9 74 74 ARG .678 1.288 1.106 4 7 11 75 75 PRO .675 .438 .586 4 3 7 76 76 GLY .834 .000 .834 4 0 4 77 77 SER .422 .671 .519 4 2 6 78 78 PRO .355 .362 .358 4 3 7 79 79 GLU .376 .882 .703 4 5 9 80 80 GLU .362 .843 .673 4 5 9 81 81 ALA .312 .307 .311 4 1 5 82 82 ALA .396 .418 .401 4 1 5 83 83 ALA .421 .454 .428 4 1 5 84 84 LEU .390 .276 .338 4 4 8 85 85 VAL .425 .378 .406 4 3 7 86 86 ASP .565 .936 .773 4 4 8 87 87 GLY .635 .000 .635 4 0 4 88 88 LEU .914 1.161 1.045 4 4 8 89 89 ARG 1.607 1.250 1.391 4 7 11 90 90 ARG .999 4.859 3.923 4 7 11 91 91 GLU 2.535 4.471 3.737 4 5 9 92 92 PRO 4.958 4.477 4.758 4 3 7 93 93 GLY 6.235 .000 6.235 4 0 4 94 94 GLY 7.706 .000 7.706 4 0 4 95 301 GLY 2.487 .000 2.487 4 0 4 96 302 SER 2.201 3.070 2.524 4 2 6 97 303 ASP .983 1.329 1.169 4 4 8 98 304 PRO .614 .442 .547 4 3 7 99 305 GLY .234 .000 .234 4 0 4 100 306 PRO .311 .409 .356 4 3 7 101 307 GLU .404 .835 .678 4 5 9 102 308 ALA .358 .356 .358 4 1 5 103 309 ALA .320 .332 .323 4 1 5 104 310 ARG .354 2.181 1.753 4 7 11 105 311 LEU .323 .415 .372 4 4 8 106 312 ARG .221 .445 .379 4 7 11 107 313 PHE .299 1.046 .854 4 7 11 108 314 ARG .299 1.530 1.234 4 7 11 109 315 CYS .501 .699 .574 4 2 6 110 316 PHE .498 .850 .742 4 7 11 111 317 HIS .760 .937 .870 4 6 10 112 318 TYR .715 .874 .825 4 8 12 113 319 GLU .709 1.182 1.000 4 5 9 114 320 GLU .649 1.024 .877 4 5 9 115 321 ALA .758 .851 .778 4 1 5 116 322 THR .651 .691 .668 4 3 7 117 323 GLY .493 .000 .493 4 0 4 118 324 PRO .332 .310 .323 4 3 7 119 325 GLN .407 .540 .485 4 5 9 120 326 GLU .499 .946 .780 4 5 9 121 327 ALA .371 .375 .372 4 1 5 122 328 LEU .351 .373 .362 4 4 8 123 329 ALA .411 .514 .433 4 1 5 124 330 GLN .294 1.284 .977 4 5 9 125 331 LEU .328 .256 .294 4 4 8 126 332 ARG .501 1.224 1.022 4 7 11 127 333 GLU .425 1.189 .930 4 5 9 128 334 LEU .398 .316 .359 4 4 8 129 335 CYS .357 1.278 .793 4 2 6 130 336 ARG .431 .705 .619 4 7 11 131 337 GLN .410 .495 .459 4 5 9 132 338 TRP .336 .424 .401 4 10 14 133 339 LEU .506 .615 .563 4 4 8 134 340 ARG .292 2.109 1.692 4 7 11 135 341 PRO .278 .355 .313 4 3 7 136 342 GLU .422 1.990 1.510 4 5 9 137 343 VAL .371 .580 .472 4 3 7 138 344 ARG .155 .513 .420 4 7 11 139 345 SER .125 .420 .263 4 2 6 140 346 LYS .083 .642 .481 4 5 9 141 347 GLU .228 1.342 1.012 4 5 9 142 348 GLN .382 1.213 .940 4 5 9 143 349 MET .334 .570 .467 4 4 8 144 350 LEU .436 .499 .468 4 4 8 145 351 GLU .471 1.448 1.124 4 5 9 146 352 LEU .295 .458 .385 4 4 8 147 353 LEU .339 .828 .633 4 4 8 148 354 VAL .404 .370 .390 4 3 7 149 355 LEU .352 .732 .574 4 4 8 150 356 GLU .440 1.203 .943 4 5 9 151 357 GLN .457 .952 .773 4 5 9 152 358 PHE .483 .738 .657 4 7 11 153 359 LEU .515 .774 .657 4 4 8 154 360 GLY .566 .000 .566 4 0 4 155 361 ALA .596 .560 .589 4 1 5 156 362 LEU .606 .549 .578 4 4 8 157 363 PRO .680 .676 .678 4 3 7 158 364 PRO .755 .807 .778 4 3 7 159 365 GLU .708 .997 .881 4 5 9 160 366 ILE .606 .597 .602 4 4 8 161 367 GLN .608 .634 .623 4 5 9 162 368 ALA .650 .706 .662 4 1 5 163 369 ARG .578 1.310 1.101 4 7 11 164 370 VAL .530 .489 .513 4 3 7 165 371 GLN .592 .893 .774 4 5 9 166 372 GLY .558 .000 .558 4 0 4 167 373 GLN .529 .981 .812 4 5 9 168 374 ARG .696 1.499 1.267 4 7 11 169 375 PRO .694 .440 .598 4 3 7 170 376 GLY .842 .000 .842 4 0 4 171 377 SER .433 .667 .523 4 2 6 172 378 PRO .364 .364 .364 4 3 7 173 379 GLU .376 .876 .699 4 5 9 174 380 GLU .374 .855 .684 4 5 9 175 381 ALA .311 .311 .311 4 1 5 176 382 ALA .394 .415 .398 4 1 5 177 383 ALA .437 .482 .447 4 1 5 178 384 LEU .384 .261 .328 4 4 8 179 385 VAL .415 .581 .493 4 3 7 180 386 ASP .559 .938 .772 4 4 8 181 387 GLY .622 .000 .622 4 0 4 182 388 LEU .900 1.149 1.032 4 4 8 183 389 ARG 1.601 1.211 1.366 4 7 11 184 390 ARG .993 4.833 3.902 4 7 11 185 391 GLU 2.549 4.489 3.752 4 5 9 186 392 PRO 4.975 4.499 4.777 4 3 7 187 393 GLY 6.247 .000 6.247 4 0 4 188 394 GLY 7.456 .000 7.456 3 0 3 ENDMDL Model RMS deviations: 1.2903 1.3805 1.3353 751 724 1475 MODEL 14 1 1 GLY 4.592 .000 4.592 4 0 4 2 2 SER 3.212 4.132 3.545 4 2 6 3 3 ASP 1.857 1.396 1.643 4 4 8 4 4 PRO .992 1.042 1.013 4 3 7 5 5 GLY .845 .000 .845 4 0 4 6 6 PRO .796 1.107 .942 4 3 7 7 7 GLU .657 1.934 1.506 4 5 9 8 8 ALA .487 .444 .479 4 1 5 9 9 ALA .517 .476 .509 4 1 5 10 10 ARG .516 .908 .788 4 7 11 11 11 LEU .515 .643 .582 4 4 8 12 12 ARG .499 .761 .678 4 7 11 13 13 PHE .465 1.042 .878 4 7 11 14 14 ARG .451 1.784 1.449 4 7 11 15 15 CYS .362 .835 .566 4 2 6 16 16 PHE .538 .882 .775 4 7 11 17 17 HIS .464 1.429 1.145 4 6 10 18 18 TYR .313 1.081 .901 4 8 12 19 19 GLU .392 .801 .652 4 5 9 20 20 GLU .442 .867 .711 4 5 9 21 21 ALA .460 .420 .453 4 1 5 22 22 THR .469 .467 .468 4 3 7 23 23 GLY .437 .000 .437 4 0 4 24 24 PRO .423 .464 .441 4 3 7 25 25 GLN .479 .675 .596 4 5 9 26 26 GLU .537 .961 .801 4 5 9 27 27 ALA .339 .278 .328 4 1 5 28 28 LEU .376 .408 .392 4 4 8 29 29 ALA .558 .621 .572 4 1 5 30 30 GLN .595 1.468 1.164 4 5 9 31 31 LEU .570 .434 .506 4 4 8 32 32 ARG .582 1.756 1.444 4 7 11 33 33 GLU .734 .931 .849 4 5 9 34 34 LEU .740 .715 .728 4 4 8 35 35 CYS .639 .891 .733 4 2 6 36 36 ARG .634 1.413 1.191 4 7 11 37 37 GLN .505 .663 .598 4 5 9 38 38 TRP .576 .514 .532 4 10 14 39 39 LEU .560 .522 .542 4 4 8 40 40 ARG .465 .982 .832 4 7 11 41 41 PRO .450 .413 .435 4 3 7 42 42 GLU .525 2.092 1.598 4 5 9 43 43 VAL .550 .637 .589 4 3 7 44 44 ARG .500 1.213 1.014 4 7 11 45 45 SER .442 .429 .438 4 2 6 46 46 LYS .481 .674 .596 4 5 9 47 47 GLU .535 2.121 1.621 4 5 9 48 48 GLN .494 .898 .746 4 5 9 49 49 MET .449 .537 .495 4 4 8 50 50 LEU .436 .422 .429 4 4 8 51 51 GLU .505 2.119 1.615 4 5 9 52 52 LEU .522 .591 .557 4 4 8 53 53 LEU .437 .419 .428 4 4 8 54 54 VAL .530 .555 .541 4 3 7 55 55 LEU .490 .946 .753 4 4 8 56 56 GLU .600 1.541 1.216 4 5 9 57 57 GLN .647 1.089 .920 4 5 9 58 58 PHE .511 1.144 .963 4 7 11 59 59 LEU .473 .787 .649 4 4 8 60 60 GLY .651 .000 .651 4 0 4 61 61 ALA .524 .467 .514 4 1 5 62 62 LEU .557 .532 .544 4 4 8 63 63 PRO .640 .610 .627 4 3 7 64 64 PRO .767 .755 .762 4 3 7 65 65 GLU .786 1.051 .942 4 5 9 66 66 ILE .700 .634 .668 4 4 8 67 67 GLN .688 .656 .670 4 5 9 68 68 ALA .807 .897 .826 4 1 5 69 69 ARG .722 .980 .895 4 7 11 70 70 VAL .600 .643 .619 4 3 7 71 71 GLN .625 .425 .523 4 5 9 72 72 GLY .610 .000 .610 4 0 4 73 73 GLN .417 1.344 1.040 4 5 9 74 74 ARG .430 1.354 1.111 4 7 11 75 75 PRO .380 .482 .427 4 3 7 76 76 GLY .350 .000 .350 4 0 4 77 77 SER .396 .340 .378 4 2 6 78 78 PRO .431 .525 .474 4 3 7 79 79 GLU .424 .901 .729 4 5 9 80 80 GLU .486 .916 .756 4 5 9 81 81 ALA .510 .496 .507 4 1 5 82 82 ALA .503 .424 .489 4 1 5 83 83 ALA .626 .605 .622 4 1 5 84 84 LEU .682 .653 .667 4 4 8 85 85 VAL .587 .471 .540 4 3 7 86 86 ASP .645 1.044 .868 4 4 8 87 87 GLY .742 .000 .742 4 0 4 88 88 LEU .702 .746 .724 4 4 8 89 89 ARG 1.177 .844 .979 4 7 11 90 90 ARG 2.101 3.894 3.355 4 7 11 91 91 GLU 4.456 7.197 6.132 4 5 9 92 92 PRO 7.611 7.616 7.613 4 3 7 93 93 GLY 10.074 .000 10.074 4 0 4 94 94 GLY 12.405 .000 12.405 4 0 4 95 301 GLY 4.572 .000 4.572 4 0 4 96 302 SER 3.193 4.124 3.531 4 2 6 97 303 ASP 1.854 1.405 1.645 4 4 8 98 304 PRO .973 1.037 1.001 4 3 7 99 305 GLY .829 .000 .829 4 0 4 100 306 PRO .786 1.085 .926 4 3 7 101 307 GLU .650 1.909 1.488 4 5 9 102 308 ALA .495 .420 .481 4 1 5 103 309 ALA .539 .495 .530 4 1 5 104 310 ARG .561 .874 .775 4 7 11 105 311 LEU .560 .700 .634 4 4 8 106 312 ARG .538 .715 .656 4 7 11 107 313 PHE .509 .960 .825 4 7 11 108 314 ARG .488 1.867 1.518 4 7 11 109 315 CYS .385 .827 .572 4 2 6 110 316 PHE .501 .811 .714 4 7 11 111 317 HIS .446 1.354 1.086 4 6 10 112 318 TYR .326 1.092 .911 4 8 12 113 319 GLU .422 .826 .677 4 5 9 114 320 GLU .438 .872 .713 4 5 9 115 321 ALA .477 .441 .470 4 1 5 116 322 THR .496 .527 .509 4 3 7 117 323 GLY .447 .000 .447 4 0 4 118 324 PRO .430 .464 .445 4 3 7 119 325 GLN .511 .701 .624 4 5 9 120 326 GLU .562 1.003 .836 4 5 9 121 327 ALA .385 .306 .370 4 1 5 122 328 LEU .419 .435 .427 4 4 8 123 329 ALA .578 .633 .590 4 1 5 124 330 GLN .634 1.324 1.074 4 5 9 125 331 LEU .627 .466 .552 4 4 8 126 332 ARG .676 1.811 1.501 4 7 11 127 333 GLU .902 1.175 1.063 4 5 9 128 334 LEU .988 .861 .927 4 4 8 129 335 CYS .640 .864 .722 4 2 6 130 336 ARG .692 1.697 1.416 4 7 11 131 337 GLN .412 2.227 1.683 4 5 9 132 338 TRP .473 .537 .519 4 10 14 133 339 LEU .520 .440 .482 4 4 8 134 340 ARG .443 .943 .799 4 7 11 135 341 PRO .430 .421 .426 4 3 7 136 342 GLU .441 2.224 1.684 4 5 9 137 343 VAL .447 .543 .491 4 3 7 138 344 ARG .372 1.258 1.028 4 7 11 139 345 SER .365 .486 .410 4 2 6 140 346 LYS .410 .836 .680 4 5 9 141 347 GLU .512 2.093 1.597 4 5 9 142 348 GLN .394 .926 .738 4 5 9 143 349 MET .356 .597 .491 4 4 8 144 350 LEU .388 .442 .416 4 4 8 145 351 GLU .488 2.113 1.608 4 5 9 146 352 LEU .493 .549 .522 4 4 8 147 353 LEU .406 .343 .376 4 4 8 148 354 VAL .531 .552 .540 4 3 7 149 355 LEU .458 1.177 .893 4 4 8 150 356 GLU .609 1.704 1.333 4 5 9 151 357 GLN .674 1.149 .967 4 5 9 152 358 PHE .487 .710 .638 4 7 11 153 359 LEU .491 .724 .619 4 4 8 154 360 GLY .635 .000 .635 4 0 4 155 361 ALA .524 .453 .510 4 1 5 156 362 LEU .568 .555 .561 4 4 8 157 363 PRO .655 .629 .644 4 3 7 158 364 PRO .779 .770 .775 4 3 7 159 365 GLU .798 1.079 .964 4 5 9 160 366 ILE .711 .647 .680 4 4 8 161 367 GLN .697 .671 .683 4 5 9 162 368 ALA .821 .908 .839 4 1 5 163 369 ARG .731 .995 .908 4 7 11 164 370 VAL .612 .648 .628 4 3 7 165 371 GLN .644 .435 .538 4 5 9 166 372 GLY .637 .000 .637 4 0 4 167 373 GLN .427 1.418 1.094 4 5 9 168 374 ARG .431 1.549 1.263 4 7 11 169 375 PRO .372 .475 .419 4 3 7 170 376 GLY .334 .000 .334 4 0 4 171 377 SER .386 .331 .368 4 2 6 172 378 PRO .428 .536 .477 4 3 7 173 379 GLU .396 .887 .712 4 5 9 174 380 GLU .469 .920 .754 4 5 9 175 381 ALA .485 .470 .482 4 1 5 176 382 ALA .477 .395 .462 4 1 5 177 383 ALA .604 .591 .602 4 1 5 178 384 LEU .670 .634 .652 4 4 8 179 385 VAL .559 .604 .579 4 3 7 180 386 ASP .610 1.002 .830 4 4 8 181 387 GLY .745 .000 .745 4 0 4 182 388 LEU .707 .732 .719 4 4 8 183 389 ARG 1.174 .832 .970 4 7 11 184 390 ARG 2.080 3.919 3.369 4 7 11 185 391 GLU 4.426 7.172 6.106 4 5 9 186 392 PRO 7.581 7.584 7.583 4 3 7 187 393 GLY 10.057 .000 10.057 4 0 4 188 394 GLY 12.309 .000 12.309 3 0 3 ENDMDL Model RMS deviations: 2.0117 1.6394 1.8384 751 724 1475 MODEL 15 1 1 GLY 1.148 .000 1.148 4 0 4 2 2 SER .801 1.472 1.072 4 2 6 3 3 ASP .777 1.729 1.340 4 4 8 4 4 PRO .787 1.028 .898 4 3 7 5 5 GLY .413 .000 .413 4 0 4 6 6 PRO .192 .167 .182 4 3 7 7 7 GLU .241 1.085 .824 4 5 9 8 8 ALA .424 .511 .443 4 1 5 9 9 ALA .315 .258 .305 4 1 5 10 10 ARG .297 .586 .501 4 7 11 11 11 LEU .382 .643 .528 4 4 8 12 12 ARG .276 .619 .521 4 7 11 13 13 PHE .256 .950 .773 4 7 11 14 14 ARG .301 1.753 1.411 4 7 11 15 15 CYS .283 .684 .458 4 2 6 16 16 PHE .337 .841 .701 4 7 11 17 17 HIS .408 1.388 1.105 4 6 10 18 18 TYR .328 1.057 .883 4 8 12 19 19 GLU .562 1.108 .907 4 5 9 20 20 GLU .646 1.087 .918 4 5 9 21 21 ALA .823 .886 .836 4 1 5 22 22 THR .761 .771 .765 4 3 7 23 23 GLY .466 .000 .466 4 0 4 24 24 PRO .353 .344 .349 4 3 7 25 25 GLN .314 .944 .734 4 5 9 26 26 GLU .345 .929 .729 4 5 9 27 27 ALA .390 .393 .391 4 1 5 28 28 LEU .376 .343 .360 4 4 8 29 29 ALA .373 .350 .368 4 1 5 30 30 GLN .418 .980 .781 4 5 9 31 31 LEU .416 .339 .380 4 4 8 32 32 ARG .403 2.985 2.394 4 7 11 33 33 GLU .475 1.263 .994 4 5 9 34 34 LEU .377 .428 .403 4 4 8 35 35 CYS .273 .974 .605 4 2 6 36 36 ARG .293 1.612 1.298 4 7 11 37 37 GLN .244 .418 .351 4 5 9 38 38 TRP .235 .227 .229 4 10 14 39 39 LEU .437 .531 .486 4 4 8 40 40 ARG .318 1.445 1.169 4 7 11 41 41 PRO .340 .427 .380 4 3 7 42 42 GLU .415 2.386 1.800 4 5 9 43 43 VAL .284 .442 .360 4 3 7 44 44 ARG .186 .510 .422 4 7 11 45 45 SER .266 .657 .437 4 2 6 46 46 LYS .252 .483 .398 4 5 9 47 47 GLU .417 2.061 1.561 4 5 9 48 48 GLN .434 1.232 .963 4 5 9 49 49 MET .251 .478 .381 4 4 8 50 50 LEU .343 .400 .373 4 4 8 51 51 GLU .544 .977 .814 4 5 9 52 52 LEU .460 .508 .485 4 4 8 53 53 LEU .348 .405 .378 4 4 8 54 54 VAL .275 .366 .317 4 3 7 55 55 LEU .242 1.102 .798 4 4 8 56 56 GLU .341 1.247 .957 4 5 9 57 57 GLN .309 .968 .750 4 5 9 58 58 PHE .222 1.078 .870 4 7 11 59 59 LEU .312 1.166 .854 4 4 8 60 60 GLY .473 .000 .473 4 0 4 61 61 ALA .455 .371 .440 4 1 5 62 62 LEU .550 .504 .527 4 4 8 63 63 PRO .691 .662 .678 4 3 7 64 64 PRO .845 .850 .847 4 3 7 65 65 GLU .855 1.086 .990 4 5 9 66 66 ILE .740 .681 .711 4 4 8 67 67 GLN .699 .666 .681 4 5 9 68 68 ALA .805 .859 .816 4 1 5 69 69 ARG .735 1.736 1.454 4 7 11 70 70 VAL .642 .834 .730 4 3 7 71 71 GLN .560 1.515 1.190 4 5 9 72 72 GLY .476 .000 .476 4 0 4 73 73 GLN .265 1.159 .882 4 5 9 74 74 ARG .178 1.128 .906 4 7 11 75 75 PRO .357 .218 .305 4 3 7 76 76 GLY .444 .000 .444 4 0 4 77 77 SER .443 .871 .620 4 2 6 78 78 PRO .480 .504 .490 4 3 7 79 79 GLU .490 1.247 .985 4 5 9 80 80 GLU .454 .869 .715 4 5 9 81 81 ALA .402 .454 .413 4 1 5 82 82 ALA .344 .331 .341 4 1 5 83 83 ALA .781 .862 .798 4 1 5 84 84 LEU .660 1.024 .862 4 4 8 85 85 VAL .695 1.898 1.349 4 3 7 86 86 ASP .883 1.288 1.104 4 4 8 87 87 GLY 1.260 .000 1.260 4 0 4 88 88 LEU 1.694 1.558 1.627 4 4 8 89 89 ARG 2.429 1.409 1.846 4 7 11 90 90 ARG 1.890 6.568 5.362 4 7 11 91 91 GLU 2.444 5.521 4.426 4 5 9 92 92 PRO 3.405 4.334 3.831 4 3 7 93 93 GLY 6.641 .000 6.641 4 0 4 94 94 GLY 7.555 .000 7.555 4 0 4 95 301 GLY 1.153 .000 1.153 4 0 4 96 302 SER .801 1.473 1.073 4 2 6 97 303 ASP .777 1.729 1.340 4 4 8 98 304 PRO .790 1.031 .901 4 3 7 99 305 GLY .409 .000 .409 4 0 4 100 306 PRO .191 .160 .178 4 3 7 101 307 GLU .242 1.089 .828 4 5 9 102 308 ALA .427 .512 .446 4 1 5 103 309 ALA .314 .252 .302 4 1 5 104 310 ARG .294 .574 .491 4 7 11 105 311 LEU .378 .633 .522 4 4 8 106 312 ARG .271 .660 .551 4 7 11 107 313 PHE .249 1.034 .839 4 7 11 108 314 ARG .300 1.833 1.473 4 7 11 109 315 CYS .273 .676 .450 4 2 6 110 316 PHE .323 1.087 .889 4 7 11 111 317 HIS .410 1.281 1.026 4 6 10 112 318 TYR .354 1.068 .896 4 8 12 113 319 GLU .551 1.116 .909 4 5 9 114 320 GLU .630 1.073 .903 4 5 9 115 321 ALA .806 .873 .820 4 1 5 116 322 THR .752 .755 .754 4 3 7 117 323 GLY .455 .000 .455 4 0 4 118 324 PRO .347 .347 .347 4 3 7 119 325 GLN .331 .945 .738 4 5 9 120 326 GLU .357 .918 .724 4 5 9 121 327 ALA .399 .412 .402 4 1 5 122 328 LEU .391 .347 .370 4 4 8 123 329 ALA .351 .299 .341 4 1 5 124 330 GLN .372 1.222 .944 4 5 9 125 331 LEU .385 .326 .357 4 4 8 126 332 ARG .368 2.955 2.368 4 7 11 127 333 GLU .481 1.284 1.010 4 5 9 128 334 LEU .355 .440 .399 4 4 8 129 335 CYS .266 .989 .611 4 2 6 130 336 ARG .278 1.785 1.434 4 7 11 131 337 GLN .251 .397 .340 4 5 9 132 338 TRP .221 .211 .214 4 10 14 133 339 LEU .383 .484 .436 4 4 8 134 340 ARG .307 1.512 1.220 4 7 11 135 341 PRO .371 .394 .381 4 3 7 136 342 GLU .398 2.383 1.796 4 5 9 137 343 VAL .292 .334 .310 4 3 7 138 344 ARG .323 .601 .517 4 7 11 139 345 SER .341 .626 .457 4 2 6 140 346 LYS .335 .623 .516 4 5 9 141 347 GLU .333 1.997 1.505 4 5 9 142 348 GLN .332 1.277 .977 4 5 9 143 349 MET .274 .334 .305 4 4 8 144 350 LEU .298 1.792 1.284 4 4 8 145 351 GLU .537 1.049 .860 4 5 9 146 352 LEU .454 .449 .452 4 4 8 147 353 LEU .338 .373 .356 4 4 8 148 354 VAL .293 .405 .345 4 3 7 149 355 LEU .251 .841 .620 4 4 8 150 356 GLU .348 1.132 .875 4 5 9 151 357 GLN .309 .936 .728 4 5 9 152 358 PHE .224 .650 .536 4 7 11 153 359 LEU .307 1.243 .905 4 4 8 154 360 GLY .475 .000 .475 4 0 4 155 361 ALA .456 .368 .440 4 1 5 156 362 LEU .535 .464 .501 4 4 8 157 363 PRO .687 .664 .677 4 3 7 158 364 PRO .844 .866 .853 4 3 7 159 365 GLU .847 1.103 .997 4 5 9 160 366 ILE .713 .664 .689 4 4 8 161 367 GLN .667 .641 .653 4 5 9 162 368 ALA .790 .839 .800 4 1 5 163 369 ARG .723 1.739 1.454 4 7 11 164 370 VAL .641 .828 .727 4 3 7 165 371 GLN .542 1.466 1.151 4 5 9 166 372 GLY .471 .000 .471 4 0 4 167 373 GLN .268 1.240 .941 4 5 9 168 374 ARG .179 1.222 .981 4 7 11 169 375 PRO .360 .230 .311 4 3 7 170 376 GLY .450 .000 .450 4 0 4 171 377 SER .441 .877 .621 4 2 6 172 378 PRO .479 .505 .491 4 3 7 173 379 GLU .496 1.275 1.006 4 5 9 174 380 GLU .443 .833 .688 4 5 9 175 381 ALA .393 .447 .405 4 1 5 176 382 ALA .356 .347 .354 4 1 5 177 383 ALA .743 .815 .758 4 1 5 178 384 LEU .651 1.027 .859 4 4 8 179 385 VAL .644 1.775 1.260 4 3 7 180 386 ASP .880 1.315 1.119 4 4 8 181 387 GLY 1.249 .000 1.249 4 0 4 182 388 LEU 1.677 1.545 1.612 4 4 8 183 389 ARG 2.416 1.424 1.847 4 7 11 184 390 ARG 1.892 6.572 5.366 4 7 11 185 391 GLU 2.434 5.524 4.425 4 5 9 186 392 PRO 3.397 4.339 3.829 4 3 7 187 393 GLY 6.620 .000 6.620 4 0 4 188 394 GLY 7.614 .000 7.614 3 0 3 ENDMDL Model RMS deviations: 1.2486 1.6385 1.4531 751 724 1475 MODEL 16 1 1 GLY .858 .000 .858 4 0 4 2 2 SER 1.262 1.846 1.483 4 2 6 3 3 ASP 1.109 1.264 1.189 4 4 8 4 4 PRO .863 .868 .865 4 3 7 5 5 GLY .654 .000 .654 4 0 4 6 6 PRO .469 .556 .508 4 3 7 7 7 GLU .442 1.053 .838 4 5 9 8 8 ALA .425 .394 .419 4 1 5 9 9 ALA .439 .434 .438 4 1 5 10 10 ARG .455 1.222 1.013 4 7 11 11 11 LEU .458 .741 .616 4 4 8 12 12 ARG .515 .586 .561 4 7 11 13 13 PHE .239 .910 .740 4 7 11 14 14 ARG .243 1.890 1.515 4 7 11 15 15 CYS .341 .812 .545 4 2 6 16 16 PHE .376 .902 .755 4 7 11 17 17 HIS .383 1.615 1.275 4 6 10 18 18 TYR .515 .846 .752 4 8 12 19 19 GLU .508 .879 .737 4 5 9 20 20 GLU .499 .765 .660 4 5 9 21 21 ALA .536 .534 .536 4 1 5 22 22 THR .593 .620 .605 4 3 7 23 23 GLY .553 .000 .553 4 0 4 24 24 PRO .572 .584 .577 4 3 7 25 25 GLN .572 .661 .623 4 5 9 26 26 GLU .572 1.036 .861 4 5 9 27 27 ALA .457 .473 .460 4 1 5 28 28 LEU .411 .403 .407 4 4 8 29 29 ALA .442 .488 .452 4 1 5 30 30 GLN .423 1.504 1.156 4 5 9 31 31 LEU .318 .341 .330 4 4 8 32 32 ARG .482 .837 .728 4 7 11 33 33 GLU .410 .961 .767 4 5 9 34 34 LEU .277 .331 .305 4 4 8 35 35 CYS .110 1.029 .601 4 2 6 36 36 ARG .170 .653 .531 4 7 11 37 37 GLN .233 .378 .322 4 5 9 38 38 TRP .195 .182 .186 4 10 14 39 39 LEU .285 .261 .273 4 4 8 40 40 ARG .249 1.078 .873 4 7 11 41 41 PRO .261 .241 .253 4 3 7 42 42 GLU .240 1.321 .997 4 5 9 43 43 VAL .259 .385 .319 4 3 7 44 44 ARG .238 .877 .714 4 7 11 45 45 SER .221 1.048 .632 4 2 6 46 46 LYS .182 .511 .400 4 5 9 47 47 GLU .153 1.651 1.235 4 5 9 48 48 GLN .241 .926 .709 4 5 9 49 49 MET .241 .416 .340 4 4 8 50 50 LEU .227 .392 .320 4 4 8 51 51 GLU .271 1.643 1.238 4 5 9 52 52 LEU .181 .356 .282 4 4 8 53 53 LEU .160 .307 .244 4 4 8 54 54 VAL .187 .292 .238 4 3 7 55 55 LEU .249 1.080 .783 4 4 8 56 56 GLU .135 1.570 1.173 4 5 9 57 57 GLN .140 .872 .657 4 5 9 58 58 PHE .300 .870 .717 4 7 11 59 59 LEU .267 .816 .607 4 4 8 60 60 GLY .213 .000 .213 4 0 4 61 61 ALA .295 .301 .296 4 1 5 62 62 LEU .314 .375 .346 4 4 8 63 63 PRO .335 .418 .373 4 3 7 64 64 PRO .297 .284 .291 4 3 7 65 65 GLU .404 .732 .609 4 5 9 66 66 ILE .440 .504 .473 4 4 8 67 67 GLN .348 .212 .280 4 5 9 68 68 ALA .421 .364 .410 4 1 5 69 69 ARG .542 1.075 .918 4 7 11 70 70 VAL .543 .567 .554 4 3 7 71 71 GLN .542 .515 .527 4 5 9 72 72 GLY .539 .000 .539 4 0 4 73 73 GLN .440 1.019 .814 4 5 9 74 74 ARG .581 .922 .815 4 7 11 75 75 PRO .567 .562 .565 4 3 7 76 76 GLY .538 .000 .538 4 0 4 77 77 SER .435 .975 .666 4 2 6 78 78 PRO .435 .342 .398 4 3 7 79 79 GLU .513 .956 .790 4 5 9 80 80 GLU .538 .911 .768 4 5 9 81 81 ALA .463 .410 .453 4 1 5 82 82 ALA .584 .651 .598 4 1 5 83 83 ALA .577 .666 .596 4 1 5 84 84 LEU .465 .399 .433 4 4 8 85 85 VAL .447 .514 .477 4 3 7 86 86 ASP .518 1.135 .882 4 4 8 87 87 GLY .287 .000 .287 4 0 4 88 88 LEU .230 .319 .278 4 4 8 89 89 ARG 1.168 .911 1.012 4 7 11 90 90 ARG 1.088 6.339 5.099 4 7 11 91 91 GLU 2.840 3.898 3.468 4 5 9 92 92 PRO 4.122 3.259 3.776 4 3 7 93 93 GLY 7.886 .000 7.886 4 0 4 94 94 GLY 10.315 .000 10.315 4 0 4 95 301 GLY .862 .000 .862 4 0 4 96 302 SER 1.269 1.864 1.494 4 2 6 97 303 ASP 1.119 1.278 1.201 4 4 8 98 304 PRO .870 .876 .872 4 3 7 99 305 GLY .654 .000 .654 4 0 4 100 306 PRO .472 .583 .522 4 3 7 101 307 GLU .431 1.056 .838 4 5 9 102 308 ALA .419 .388 .413 4 1 5 103 309 ALA .399 .376 .394 4 1 5 104 310 ARG .424 .934 .788 4 7 11 105 311 LEU .449 .776 .634 4 4 8 106 312 ARG .499 .625 .582 4 7 11 107 313 PHE .226 .991 .802 4 7 11 108 314 ARG .247 1.060 .859 4 7 11 109 315 CYS .378 .833 .572 4 2 6 110 316 PHE .413 1.164 .962 4 7 11 111 317 HIS .419 1.520 1.207 4 6 10 112 318 TYR .551 .858 .769 4 8 12 113 319 GLU .550 .903 .766 4 5 9 114 320 GLU .519 .769 .669 4 5 9 115 321 ALA .612 .618 .613 4 1 5 116 322 THR .659 .727 .689 4 3 7 117 323 GLY .587 .000 .587 4 0 4 118 324 PRO .611 .603 .608 4 3 7 119 325 GLN .635 .718 .682 4 5 9 120 326 GLU .636 1.101 .924 4 5 9 121 327 ALA .499 .536 .507 4 1 5 122 328 LEU .407 .433 .420 4 4 8 123 329 ALA .383 .470 .402 4 1 5 124 330 GLN .379 1.504 1.149 4 5 9 125 331 LEU .301 .325 .313 4 4 8 126 332 ARG .472 .932 .796 4 7 11 127 333 GLU .381 .929 .738 4 5 9 128 334 LEU .252 .308 .282 4 4 8 129 335 CYS .099 1.027 .599 4 2 6 130 336 ARG .171 .537 .441 4 7 11 131 337 GLN .211 .370 .310 4 5 9 132 338 TRP .185 .186 .186 4 10 14 133 339 LEU .272 .264 .268 4 4 8 134 340 ARG .224 1.056 .853 4 7 11 135 341 PRO .242 .223 .234 4 3 7 136 342 GLU .209 1.366 1.028 4 5 9 137 343 VAL .225 .312 .266 4 3 7 138 344 ARG .229 .538 .451 4 7 11 139 345 SER .221 1.050 .632 4 2 6 140 346 LYS .183 .578 .448 4 5 9 141 347 GLU .187 1.689 1.265 4 5 9 142 348 GLN .257 .932 .715 4 5 9 143 349 MET .233 .349 .297 4 4 8 144 350 LEU .217 .428 .339 4 4 8 145 351 GLU .245 1.663 1.250 4 5 9 146 352 LEU .161 .277 .226 4 4 8 147 353 LEU .142 .327 .252 4 4 8 148 354 VAL .173 .283 .227 4 3 7 149 355 LEU .245 1.298 .934 4 4 8 150 356 GLU .152 1.325 .993 4 5 9 151 357 GLN .108 .904 .678 4 5 9 152 358 PHE .251 .762 .627 4 7 11 153 359 LEU .251 .723 .541 4 4 8 154 360 GLY .201 .000 .201 4 0 4 155 361 ALA .257 .237 .253 4 1 5 156 362 LEU .298 .347 .324 4 4 8 157 363 PRO .338 .418 .375 4 3 7 158 364 PRO .318 .306 .313 4 3 7 159 365 GLU .424 .740 .620 4 5 9 160 366 ILE .446 .502 .475 4 4 8 161 367 GLN .363 .230 .297 4 5 9 162 368 ALA .432 .385 .423 4 1 5 163 369 ARG .523 1.063 .905 4 7 11 164 370 VAL .544 .568 .554 4 3 7 165 371 GLN .552 .506 .527 4 5 9 166 372 GLY .529 .000 .529 4 0 4 167 373 GLN .451 .783 .657 4 5 9 168 374 ARG .569 1.033 .893 4 7 11 169 375 PRO .540 .542 .541 4 3 7 170 376 GLY .527 .000 .527 4 0 4 171 377 SER .431 .975 .664 4 2 6 172 378 PRO .427 .336 .391 4 3 7 173 379 GLU .508 .908 .757 4 5 9 174 380 GLU .540 .917 .772 4 5 9 175 381 ALA .463 .353 .443 4 1 5 176 382 ALA .608 .651 .617 4 1 5 177 383 ALA .653 .727 .668 4 1 5 178 384 LEU .571 .503 .538 4 4 8 179 385 VAL .545 1.563 1.103 4 3 7 180 386 ASP .508 1.038 .817 4 4 8 181 387 GLY .309 .000 .309 4 0 4 182 388 LEU .240 .303 .273 4 4 8 183 389 ARG 1.198 .968 1.057 4 7 11 184 390 ARG 1.106 6.372 5.126 4 7 11 185 391 GLU 2.795 3.870 3.434 4 5 9 186 392 PRO 4.096 3.268 3.764 4 3 7 187 393 GLY 7.846 .000 7.846 4 0 4 188 394 GLY 10.030 .000 10.030 3 0 3 ENDMDL Model RMS deviations: 1.4543 1.3574 1.4075 751 724 1475 MODEL 17 1 1 GLY 2.473 .000 2.473 4 0 4 2 2 SER 2.209 3.148 2.561 4 2 6 3 3 ASP 1.536 3.822 2.913 4 4 8 4 4 PRO .944 .453 .773 4 3 7 5 5 GLY .871 .000 .871 4 0 4 6 6 PRO .810 1.281 1.038 4 3 7 7 7 GLU 1.352 2.458 2.041 4 5 9 8 8 ALA 1.062 .991 1.048 4 1 5 9 9 ALA .919 .855 .906 4 1 5 10 10 ARG .888 1.421 1.254 4 7 11 11 11 LEU 1.048 1.381 1.226 4 4 8 12 12 ARG 1.032 .875 .935 4 7 11 13 13 PHE .907 1.194 1.099 4 7 11 14 14 ARG .952 2.142 1.803 4 7 11 15 15 CYS 1.117 .962 1.068 4 2 6 16 16 PHE 1.084 1.377 1.278 4 7 11 17 17 HIS 1.385 1.437 1.417 4 6 10 18 18 TYR 1.412 1.549 1.505 4 8 12 19 19 GLU 1.441 1.841 1.675 4 5 9 20 20 GLU 1.507 2.458 2.090 4 5 9 21 21 ALA 1.557 1.585 1.562 4 1 5 22 22 THR 1.386 1.347 1.370 4 3 7 23 23 GLY 1.312 .000 1.312 4 0 4 24 24 PRO 1.119 1.221 1.164 4 3 7 25 25 GLN 1.030 1.200 1.128 4 5 9 26 26 GLU 1.002 1.576 1.352 4 5 9 27 27 ALA .985 1.104 1.010 4 1 5 28 28 LEU .800 .794 .797 4 4 8 29 29 ALA .749 .794 .759 4 1 5 30 30 GLN .803 1.224 1.058 4 5 9 31 31 LEU .736 .880 .811 4 4 8 32 32 ARG .693 1.556 1.310 4 7 11 33 33 GLU .791 1.382 1.157 4 5 9 34 34 LEU .745 .870 .810 4 4 8 35 35 CYS .656 1.099 .830 4 2 6 36 36 ARG .681 .958 .867 4 7 11 37 37 GLN .582 .481 .528 4 5 9 38 38 TRP .602 .602 .602 4 10 14 39 39 LEU .449 .319 .389 4 4 8 40 40 ARG .386 1.886 1.522 4 7 11 41 41 PRO .309 .361 .332 4 3 7 42 42 GLU .464 2.385 1.805 4 5 9 43 43 VAL .497 .712 .599 4 3 7 44 44 ARG .299 .837 .692 4 7 11 45 45 SER .340 .370 .350 4 2 6 46 46 LYS .382 .613 .523 4 5 9 47 47 GLU .553 1.617 1.261 4 5 9 48 48 GLN .574 1.708 1.330 4 5 9 49 49 MET .423 .523 .475 4 4 8 50 50 LEU .495 .502 .498 4 4 8 51 51 GLU .511 2.414 1.831 4 5 9 52 52 LEU .493 .442 .468 4 4 8 53 53 LEU .476 .408 .443 4 4 8 54 54 VAL .557 .586 .569 4 3 7 55 55 LEU .583 1.168 .923 4 4 8 56 56 GLU .597 2.118 1.628 4 5 9 57 57 GLN .916 1.622 1.354 4 5 9 58 58 PHE .969 1.485 1.321 4 7 11 59 59 LEU .958 1.031 .995 4 4 8 60 60 GLY 1.132 .000 1.132 4 0 4 61 61 ALA 1.245 1.185 1.234 4 1 5 62 62 LEU 1.304 1.177 1.242 4 4 8 63 63 PRO 1.459 1.540 1.495 4 3 7 64 64 PRO 1.515 1.643 1.571 4 3 7 65 65 GLU 1.528 1.883 1.734 4 5 9 66 66 ILE 1.368 1.473 1.422 4 4 8 67 67 GLN 1.183 1.143 1.161 4 5 9 68 68 ALA 1.154 1.276 1.180 4 1 5 69 69 ARG 1.152 1.213 1.192 4 7 11 70 70 VAL .926 .871 .903 4 3 7 71 71 GLN .885 1.166 1.050 4 5 9 72 72 GLY .988 .000 .988 4 0 4 73 73 GLN .837 1.386 1.174 4 5 9 74 74 ARG .688 1.738 1.447 4 7 11 75 75 PRO .842 .997 .912 4 3 7 76 76 GLY .602 .000 .602 4 0 4 77 77 SER .579 .608 .589 4 2 6 78 78 PRO .709 .492 .625 4 3 7 79 79 GLU .799 1.082 .966 4 5 9 80 80 GLU .912 1.118 1.032 4 5 9 81 81 ALA .973 .898 .959 4 1 5 82 82 ALA 1.116 1.055 1.104 4 1 5 83 83 ALA 1.213 1.186 1.207 4 1 5 84 84 LEU 1.316 1.064 1.197 4 4 8 85 85 VAL 1.353 1.251 1.311 4 3 7 86 86 ASP 1.469 1.621 1.547 4 4 8 87 87 GLY 1.659 .000 1.659 4 0 4 88 88 LEU 1.604 2.140 1.891 4 4 8 89 89 ARG 1.691 2.126 1.979 4 7 11 90 90 ARG 2.189 3.734 3.258 4 7 11 91 91 GLU 1.867 3.196 2.688 4 5 9 92 92 PRO 4.528 4.099 4.349 4 3 7 93 93 GLY 8.470 .000 8.470 4 0 4 94 94 GLY 10.802 .000 10.802 4 0 4 95 301 GLY 2.479 .000 2.479 4 0 4 96 302 SER 2.218 3.156 2.569 4 2 6 97 303 ASP 1.540 3.817 2.911 4 4 8 98 304 PRO .943 .449 .771 4 3 7 99 305 GLY .867 .000 .867 4 0 4 100 306 PRO .808 1.270 1.032 4 3 7 101 307 GLU 1.350 2.443 2.031 4 5 9 102 308 ALA 1.064 .994 1.050 4 1 5 103 309 ALA .935 .871 .923 4 1 5 104 310 ARG .916 1.684 1.452 4 7 11 105 311 LEU 1.055 1.389 1.233 4 4 8 106 312 ARG 1.059 .888 .954 4 7 11 107 313 PHE .895 1.255 1.138 4 7 11 108 314 ARG .935 1.964 1.665 4 7 11 109 315 CYS 1.064 .928 1.021 4 2 6 110 316 PHE 1.029 1.324 1.225 4 7 11 111 317 HIS 1.389 1.461 1.432 4 6 10 112 318 TYR 1.420 1.552 1.509 4 8 12 113 319 GLU 1.446 1.858 1.687 4 5 9 114 320 GLU 1.513 2.485 2.109 4 5 9 115 321 ALA 1.559 1.589 1.565 4 1 5 116 322 THR 1.383 1.335 1.362 4 3 7 117 323 GLY 1.311 .000 1.311 4 0 4 118 324 PRO 1.118 1.225 1.165 4 3 7 119 325 GLN 1.025 1.199 1.125 4 5 9 120 326 GLU .987 1.552 1.331 4 5 9 121 327 ALA .994 1.128 1.022 4 1 5 122 328 LEU .798 .799 .798 4 4 8 123 329 ALA .727 .755 .733 4 1 5 124 330 GLN .785 1.256 1.072 4 5 9 125 331 LEU .746 .900 .826 4 4 8 126 332 ARG .684 1.546 1.300 4 7 11 127 333 GLU .786 1.368 1.146 4 5 9 128 334 LEU .740 .870 .808 4 4 8 129 335 CYS .652 1.081 .821 4 2 6 130 336 ARG .688 .891 .823 4 7 11 131 337 GLN .592 .479 .532 4 5 9 132 338 TRP .622 .588 .598 4 10 14 133 339 LEU .455 .337 .401 4 4 8 134 340 ARG .384 1.918 1.547 4 7 11 135 341 PRO .310 .359 .332 4 3 7 136 342 GLU .471 2.314 1.753 4 5 9 137 343 VAL .505 .687 .590 4 3 7 138 344 ARG .281 .840 .691 4 7 11 139 345 SER .335 .355 .342 4 2 6 140 346 LYS .368 .718 .589 4 5 9 141 347 GLU .590 1.631 1.278 4 5 9 142 348 GLN .608 1.734 1.354 4 5 9 143 349 MET .431 .592 .518 4 4 8 144 350 LEU .502 .536 .520 4 4 8 145 351 GLU .514 2.356 1.789 4 5 9 146 352 LEU .491 .460 .476 4 4 8 147 353 LEU .481 .418 .450 4 4 8 148 354 VAL .559 .588 .572 4 3 7 149 355 LEU .585 1.395 1.070 4 4 8 150 356 GLU .592 2.167 1.663 4 5 9 151 357 GLN .912 1.365 1.186 4 5 9 152 358 PHE .951 1.527 1.347 4 7 11 153 359 LEU .954 .970 .962 4 4 8 154 360 GLY 1.132 .000 1.132 4 0 4 155 361 ALA 1.244 1.184 1.233 4 1 5 156 362 LEU 1.305 1.186 1.247 4 4 8 157 363 PRO 1.461 1.542 1.496 4 3 7 158 364 PRO 1.515 1.641 1.570 4 3 7 159 365 GLU 1.531 1.885 1.737 4 5 9 160 366 ILE 1.368 1.473 1.422 4 4 8 161 367 GLN 1.179 1.140 1.157 4 5 9 162 368 ALA 1.151 1.276 1.177 4 1 5 163 369 ARG 1.156 1.235 1.207 4 7 11 164 370 VAL .925 .852 .894 4 3 7 165 371 GLN .899 1.150 1.046 4 5 9 166 372 GLY 1.004 .000 1.004 4 0 4 167 373 GLN .836 1.453 1.218 4 5 9 168 374 ARG .698 3.139 2.539 4 7 11 169 375 PRO .862 1.020 .933 4 3 7 170 376 GLY .617 .000 .617 4 0 4 171 377 SER .595 .605 .598 4 2 6 172 378 PRO .717 .495 .631 4 3 7 173 379 GLU .793 1.082 .965 4 5 9 174 380 GLU .914 1.119 1.033 4 5 9 175 381 ALA .975 .912 .963 4 1 5 176 382 ALA 1.104 1.044 1.093 4 1 5 177 383 ALA 1.192 1.168 1.187 4 1 5 178 384 LEU 1.303 1.045 1.181 4 4 8 179 385 VAL 1.324 1.396 1.356 4 3 7 180 386 ASP 1.470 1.661 1.568 4 4 8 181 387 GLY 1.650 .000 1.650 4 0 4 182 388 LEU 1.609 2.150 1.899 4 4 8 183 389 ARG 1.694 2.091 1.956 4 7 11 184 390 ARG 2.198 3.746 3.269 4 7 11 185 391 GLU 1.863 3.189 2.682 4 5 9 186 392 PRO 4.522 4.098 4.345 4 3 7 187 393 GLY 8.461 .000 8.461 4 0 4 188 394 GLY 10.423 .000 10.423 3 0 3 ENDMDL Model RMS deviations: 1.7847 1.6406 1.7155 751 724 1475 MODEL 18 1 1 GLY 3.239 .000 3.239 4 0 4 2 2 SER 4.191 5.616 4.714 4 2 6 3 3 ASP 3.292 3.950 3.636 4 4 8 4 4 PRO 2.636 2.707 2.667 4 3 7 5 5 GLY 2.043 .000 2.043 4 0 4 6 6 PRO 1.162 1.611 1.372 4 3 7 7 7 GLU 1.059 2.388 1.915 4 5 9 8 8 ALA .788 .753 .781 4 1 5 9 9 ALA .648 .617 .642 4 1 5 10 10 ARG .603 .800 .735 4 7 11 11 11 LEU .609 .861 .746 4 4 8 12 12 ARG .571 1.039 .897 4 7 11 13 13 PHE .629 1.045 .916 4 7 11 14 14 ARG .621 2.359 1.918 4 7 11 15 15 CYS .499 .880 .651 4 2 6 16 16 PHE .562 1.081 .926 4 7 11 17 17 HIS .374 .920 .751 4 6 10 18 18 TYR .353 .730 .630 4 8 12 19 19 GLU .382 .821 .663 4 5 9 20 20 GLU .374 .981 .772 4 5 9 21 21 ALA .530 .553 .534 4 1 5 22 22 THR .595 .671 .629 4 3 7 23 23 GLY .521 .000 .521 4 0 4 24 24 PRO .516 .414 .475 4 3 7 25 25 GLN .683 1.195 1.000 4 5 9 26 26 GLU .787 .928 .868 4 5 9 27 27 ALA .648 .555 .630 4 1 5 28 28 LEU .651 .546 .601 4 4 8 29 29 ALA .855 .940 .872 4 1 5 30 30 GLN .873 1.765 1.439 4 5 9 31 31 LEU .795 .536 .678 4 4 8 32 32 ARG .873 1.577 1.364 4 7 11 33 33 GLU 1.007 1.326 1.195 4 5 9 34 34 LEU .946 1.013 .980 4 4 8 35 35 CYS .718 .846 .763 4 2 6 36 36 ARG .643 .928 .836 4 7 11 37 37 GLN .660 .960 .840 4 5 9 38 38 TRP .557 .428 .469 4 10 14 39 39 LEU .359 .312 .336 4 4 8 40 40 ARG .381 2.338 1.879 4 7 11 41 41 PRO .396 .353 .378 4 3 7 42 42 GLU .402 1.330 1.027 4 5 9 43 43 VAL .440 .563 .496 4 3 7 44 44 ARG .317 .491 .436 4 7 11 45 45 SER .333 .428 .368 4 2 6 46 46 LYS .238 .999 .761 4 5 9 47 47 GLU .237 1.603 1.205 4 5 9 48 48 GLN .287 1.049 .805 4 5 9 49 49 MET .280 .476 .390 4 4 8 50 50 LEU .371 .348 .360 4 4 8 51 51 GLU .460 1.918 1.462 4 5 9 52 52 LEU .329 .327 .328 4 4 8 53 53 LEU .310 .371 .342 4 4 8 54 54 VAL .372 .493 .428 4 3 7 55 55 LEU .285 .895 .664 4 4 8 56 56 GLU .317 1.624 1.228 4 5 9 57 57 GLN .388 1.146 .893 4 5 9 58 58 PHE .294 .770 .639 4 7 11 59 59 LEU .337 .829 .633 4 4 8 60 60 GLY .500 .000 .500 4 0 4 61 61 ALA .399 .384 .396 4 1 5 62 62 LEU .392 .296 .348 4 4 8 63 63 PRO .499 .416 .465 4 3 7 64 64 PRO .694 .712 .702 4 3 7 65 65 GLU .665 1.221 1.013 4 5 9 66 66 ILE .538 .417 .481 4 4 8 67 67 GLN .547 .540 .543 4 5 9 68 68 ALA .705 .835 .733 4 1 5 69 69 ARG .635 1.409 1.187 4 7 11 70 70 VAL .465 .438 .454 4 3 7 71 71 GLN .440 .683 .588 4 5 9 72 72 GLY .658 .000 .658 4 0 4 73 73 GLN .517 3.098 2.335 4 5 9 74 74 ARG .415 .811 .694 4 7 11 75 75 PRO .433 .589 .506 4 3 7 76 76 GLY .431 .000 .431 4 0 4 77 77 SER .427 .716 .541 4 2 6 78 78 PRO .432 .466 .447 4 3 7 79 79 GLU .514 .965 .797 4 5 9 80 80 GLU .427 .958 .769 4 5 9 81 81 ALA .311 .287 .306 4 1 5 82 82 ALA .320 .368 .330 4 1 5 83 83 ALA .344 .453 .368 4 1 5 84 84 LEU .271 .363 .321 4 4 8 85 85 VAL .227 .313 .267 4 3 7 86 86 ASP .220 .818 .599 4 4 8 87 87 GLY .477 .000 .477 4 0 4 88 88 LEU .631 .551 .593 4 4 8 89 89 ARG .820 .725 .761 4 7 11 90 90 ARG 1.088 3.369 2.767 4 7 11 91 91 GLU 4.473 6.116 5.447 4 5 9 92 92 PRO 6.247 3.899 5.368 4 3 7 93 93 GLY 8.159 .000 8.159 4 0 4 94 94 GLY 11.482 .000 11.482 4 0 4 95 301 GLY 3.249 .000 3.249 4 0 4 96 302 SER 4.205 5.629 4.727 4 2 6 97 303 ASP 3.302 3.962 3.647 4 4 8 98 304 PRO 2.643 2.710 2.672 4 3 7 99 305 GLY 2.057 .000 2.057 4 0 4 100 306 PRO 1.178 1.629 1.389 4 3 7 101 307 GLU 1.067 2.410 1.932 4 5 9 102 308 ALA .796 .760 .789 4 1 5 103 309 ALA .663 .627 .656 4 1 5 104 310 ARG .618 .885 .799 4 7 11 105 311 LEU .632 .881 .767 4 4 8 106 312 ARG .574 1.106 .948 4 7 11 107 313 PHE .707 .987 .895 4 7 11 108 314 ARG .679 1.543 1.297 4 7 11 109 315 CYS .543 .908 .687 4 2 6 110 316 PHE .572 .865 .772 4 7 11 111 317 HIS .371 1.011 .818 4 6 10 112 318 TYR .297 1.046 .872 4 8 12 113 319 GLU .388 .890 .712 4 5 9 114 320 GLU .374 .951 .751 4 5 9 115 321 ALA .529 .556 .534 4 1 5 116 322 THR .576 .644 .606 4 3 7 117 323 GLY .496 .000 .496 4 0 4 118 324 PRO .471 .379 .434 4 3 7 119 325 GLN .606 1.180 .968 4 5 9 120 326 GLU .706 .933 .840 4 5 9 121 327 ALA .614 .529 .598 4 1 5 122 328 LEU .641 .514 .581 4 4 8 123 329 ALA .883 .960 .899 4 1 5 124 330 GLN .907 .837 .869 4 5 9 125 331 LEU .811 .541 .689 4 4 8 126 332 ARG .881 1.633 1.407 4 7 11 127 333 GLU 1.051 1.405 1.260 4 5 9 128 334 LEU .976 1.067 1.022 4 4 8 129 335 CYS .764 .843 .791 4 2 6 130 336 ARG .703 1.075 .957 4 7 11 131 337 GLN .701 1.018 .891 4 5 9 132 338 TRP .580 .463 .499 4 10 14 133 339 LEU .353 .310 .332 4 4 8 134 340 ARG .374 2.274 1.828 4 7 11 135 341 PRO .384 .335 .364 4 3 7 136 342 GLU .410 1.395 1.075 4 5 9 137 343 VAL .456 .547 .497 4 3 7 138 344 ARG .328 .440 .403 4 7 11 139 345 SER .360 .419 .381 4 2 6 140 346 LYS .242 1.134 .860 4 5 9 141 347 GLU .225 1.630 1.224 4 5 9 142 348 GLN .282 1.058 .811 4 5 9 143 349 MET .266 .414 .348 4 4 8 144 350 LEU .365 .358 .362 4 4 8 145 351 GLU .464 1.926 1.469 4 5 9 146 352 LEU .325 .434 .383 4 4 8 147 353 LEU .324 .390 .358 4 4 8 148 354 VAL .391 .507 .445 4 3 7 149 355 LEU .304 .740 .566 4 4 8 150 356 GLU .319 1.527 1.158 4 5 9 151 357 GLN .422 1.143 .897 4 5 9 152 358 PHE .318 .708 .596 4 7 11 153 359 LEU .344 .707 .556 4 4 8 154 360 GLY .580 .000 .580 4 0 4 155 361 ALA .419 .400 .415 4 1 5 156 362 LEU .409 .266 .345 4 4 8 157 363 PRO .527 .450 .495 4 3 7 158 364 PRO .719 .747 .731 4 3 7 159 365 GLU .690 1.270 1.052 4 5 9 160 366 ILE .547 .431 .492 4 4 8 161 367 GLN .543 .543 .543 4 5 9 162 368 ALA .705 .838 .734 4 1 5 163 369 ARG .643 1.401 1.183 4 7 11 164 370 VAL .480 .454 .469 4 3 7 165 371 GLN .443 .645 .564 4 5 9 166 372 GLY .683 .000 .683 4 0 4 167 373 GLN .550 3.037 2.293 4 5 9 168 374 ARG .454 1.035 .870 4 7 11 169 375 PRO .469 .631 .545 4 3 7 170 376 GLY .435 .000 .435 4 0 4 171 377 SER .396 .715 .524 4 2 6 172 378 PRO .414 .484 .446 4 3 7 173 379 GLU .528 1.017 .836 4 5 9 174 380 GLU .447 1.044 .833 4 5 9 175 381 ALA .277 .227 .268 4 1 5 176 382 ALA .320 .371 .331 4 1 5 177 383 ALA .325 .470 .359 4 1 5 178 384 LEU .200 .364 .294 4 4 8 179 385 VAL .196 1.607 1.063 4 3 7 180 386 ASP .145 .737 .531 4 4 8 181 387 GLY .431 .000 .431 4 0 4 182 388 LEU .590 .535 .563 4 4 8 183 389 ARG .822 .738 .770 4 7 11 184 390 ARG 1.080 3.399 2.789 4 7 11 185 391 GLU 4.452 6.100 5.429 4 5 9 186 392 PRO 6.231 3.890 5.355 4 3 7 187 393 GLY 8.170 .000 8.170 4 0 4 188 394 GLY 11.506 .000 11.506 3 0 3 ENDMDL Model RMS deviations: 1.8429 1.5618 1.7108 751 724 1475 MODEL 19 1 1 GLY 3.463 .000 3.463 4 0 4 2 2 SER 1.975 2.908 2.328 4 2 6 3 3 ASP 1.189 .958 1.080 4 4 8 4 4 PRO .746 .794 .767 4 3 7 5 5 GLY .489 .000 .489 4 0 4 6 6 PRO .340 .347 .343 4 3 7 7 7 GLU .606 1.181 .968 4 5 9 8 8 ALA .581 .493 .565 4 1 5 9 9 ALA .496 .447 .486 4 1 5 10 10 ARG .591 .969 .851 4 7 11 11 11 LEU .622 1.189 .949 4 4 8 12 12 ARG .657 1.803 1.492 4 7 11 13 13 PHE .535 1.019 .875 4 7 11 14 14 ARG .386 .913 .764 4 7 11 15 15 CYS .394 1.097 .710 4 2 6 16 16 PHE .404 .907 .764 4 7 11 17 17 HIS .398 .619 .542 4 6 10 18 18 TYR .465 1.141 .970 4 8 12 19 19 GLU .616 .789 .717 4 5 9 20 20 GLU .626 .790 .721 4 5 9 21 21 ALA .687 .652 .680 4 1 5 22 22 THR .708 .694 .702 4 3 7 23 23 GLY .656 .000 .656 4 0 4 24 24 PRO .602 .644 .620 4 3 7 25 25 GLN .672 .833 .765 4 5 9 26 26 GLU .624 1.256 1.025 4 5 9 27 27 ALA .622 .576 .613 4 1 5 28 28 LEU .559 .559 .559 4 4 8 29 29 ALA .580 .596 .583 4 1 5 30 30 GLN .470 1.017 .820 4 5 9 31 31 LEU .407 .393 .400 4 4 8 32 32 ARG .369 1.777 1.435 4 7 11 33 33 GLU .501 2.492 1.887 4 5 9 34 34 LEU .342 .438 .393 4 4 8 35 35 CYS .463 .757 .578 4 2 6 36 36 ARG .430 .835 .715 4 7 11 37 37 GLN .450 .613 .546 4 5 9 38 38 TRP .366 .291 .314 4 10 14 39 39 LEU .211 .184 .198 4 4 8 40 40 ARG .219 2.296 1.837 4 7 11 41 41 PRO .241 .290 .263 4 3 7 42 42 GLU .166 1.516 1.136 4 5 9 43 43 VAL .127 .213 .169 4 3 7 44 44 ARG .209 1.079 .870 4 7 11 45 45 SER .267 .592 .405 4 2 6 46 46 LYS .349 .981 .767 4 5 9 47 47 GLU .451 2.179 1.652 4 5 9 48 48 GLN .461 1.618 1.245 4 5 9 49 49 MET .264 .422 .352 4 4 8 50 50 LEU .247 .341 .298 4 4 8 51 51 GLU .368 1.293 .994 4 5 9 52 52 LEU .288 .420 .360 4 4 8 53 53 LEU .282 .396 .343 4 4 8 54 54 VAL .344 .441 .389 4 3 7 55 55 LEU .313 .936 .698 4 4 8 56 56 GLU .283 1.350 1.024 4 5 9 57 57 GLN .318 .898 .702 4 5 9 58 58 PHE .300 .850 .702 4 7 11 59 59 LEU .285 .836 .624 4 4 8 60 60 GLY .273 .000 .273 4 0 4 61 61 ALA .226 .269 .235 4 1 5 62 62 LEU .309 .453 .388 4 4 8 63 63 PRO .415 .431 .422 4 3 7 64 64 PRO .570 .496 .539 4 3 7 65 65 GLU .672 .721 .700 4 5 9 66 66 ILE .626 .600 .613 4 4 8 67 67 GLN .580 .458 .516 4 5 9 68 68 ALA .770 .780 .772 4 1 5 69 69 ARG .831 1.913 1.606 4 7 11 70 70 VAL .815 .800 .809 4 3 7 71 71 GLN .846 .562 .703 4 5 9 72 72 GLY .831 .000 .831 4 0 4 73 73 GLN .682 1.329 1.090 4 5 9 74 74 ARG .531 2.221 1.800 4 7 11 75 75 PRO .415 .549 .477 4 3 7 76 76 GLY .487 .000 .487 4 0 4 77 77 SER .513 .580 .536 4 2 6 78 78 PRO .526 .472 .504 4 3 7 79 79 GLU .626 .900 .790 4 5 9 80 80 GLU .647 1.079 .913 4 5 9 81 81 ALA .695 .678 .692 4 1 5 82 82 ALA .730 .689 .722 4 1 5 83 83 ALA .766 .750 .763 4 1 5 84 84 LEU .849 .743 .798 4 4 8 85 85 VAL .869 .794 .838 4 3 7 86 86 ASP .991 1.027 1.009 4 4 8 87 87 GLY 1.552 .000 1.552 4 0 4 88 88 LEU 1.696 1.971 1.838 4 4 8 89 89 ARG 1.792 1.563 1.650 4 7 11 90 90 ARG 1.558 4.309 3.563 4 7 11 91 91 GLU 2.393 4.375 3.630 4 5 9 92 92 PRO 4.530 5.143 4.802 4 3 7 93 93 GLY 5.326 .000 5.326 4 0 4 94 94 GLY 7.694 .000 7.694 4 0 4 95 301 GLY 3.450 .000 3.450 4 0 4 96 302 SER 1.964 2.902 2.319 4 2 6 97 303 ASP 1.182 .955 1.074 4 4 8 98 304 PRO .739 .791 .762 4 3 7 99 305 GLY .487 .000 .487 4 0 4 100 306 PRO .343 .340 .342 4 3 7 101 307 GLU .605 1.175 .964 4 5 9 102 308 ALA .591 .496 .573 4 1 5 103 309 ALA .509 .452 .498 4 1 5 104 310 ARG .609 .953 .844 4 7 11 105 311 LEU .627 1.174 .941 4 4 8 106 312 ARG .652 1.207 1.040 4 7 11 107 313 PHE .500 1.074 .908 4 7 11 108 314 ARG .476 .780 .685 4 7 11 109 315 CYS .452 1.249 .810 4 2 6 110 316 PHE .453 1.165 .969 4 7 11 111 317 HIS .428 1.320 1.058 4 6 10 112 318 TYR .443 .862 .749 4 8 12 113 319 GLU .560 .823 .718 4 5 9 114 320 GLU .595 .783 .706 4 5 9 115 321 ALA .667 .624 .659 4 1 5 116 322 THR .715 .712 .714 4 3 7 117 323 GLY .652 .000 .652 4 0 4 118 324 PRO .607 .640 .621 4 3 7 119 325 GLN .684 .849 .780 4 5 9 120 326 GLU .637 1.261 1.032 4 5 9 121 327 ALA .604 .573 .598 4 1 5 122 328 LEU .556 .552 .554 4 4 8 123 329 ALA .570 .583 .573 4 1 5 124 330 GLN .461 .992 .801 4 5 9 125 331 LEU .402 .397 .400 4 4 8 126 332 ARG .353 1.785 1.440 4 7 11 127 333 GLU .488 2.497 1.890 4 5 9 128 334 LEU .325 .369 .348 4 4 8 129 335 CYS .480 .761 .589 4 2 6 130 336 ARG .452 .603 .553 4 7 11 131 337 GLN .460 .658 .579 4 5 9 132 338 TRP .369 .279 .307 4 10 14 133 339 LEU .215 .211 .213 4 4 8 134 340 ARG .226 1.573 1.262 4 7 11 135 341 PRO .255 .299 .275 4 3 7 136 342 GLU .180 1.566 1.173 4 5 9 137 343 VAL .147 .152 .149 4 3 7 138 344 ARG .222 1.104 .891 4 7 11 139 345 SER .301 .616 .432 4 2 6 140 346 LYS .361 .859 .684 4 5 9 141 347 GLU .444 2.177 1.650 4 5 9 142 348 GLN .458 1.603 1.233 4 5 9 143 349 MET .265 .367 .320 4 4 8 144 350 LEU .249 .376 .319 4 4 8 145 351 GLU .377 1.723 1.309 4 5 9 146 352 LEU .311 .420 .370 4 4 8 147 353 LEU .295 .306 .301 4 4 8 148 354 VAL .374 .461 .414 4 3 7 149 355 LEU .355 .757 .592 4 4 8 150 356 GLU .306 1.384 1.051 4 5 9 151 357 GLN .343 .903 .711 4 5 9 152 358 PHE .347 .825 .690 4 7 11 153 359 LEU .257 .719 .540 4 4 8 154 360 GLY .308 .000 .308 4 0 4 155 361 ALA .233 .307 .250 4 1 5 156 362 LEU .276 .366 .324 4 4 8 157 363 PRO .397 .404 .400 4 3 7 158 364 PRO .579 .524 .556 4 3 7 159 365 GLU .665 .725 .699 4 5 9 160 366 ILE .596 .569 .583 4 4 8 161 367 GLN .549 .436 .489 4 5 9 162 368 ALA .742 .750 .744 4 1 5 163 369 ARG .811 1.879 1.577 4 7 11 164 370 VAL .806 .797 .802 4 3 7 165 371 GLN .842 .572 .705 4 5 9 166 372 GLY .824 .000 .824 4 0 4 167 373 GLN .694 1.326 1.091 4 5 9 168 374 ARG .541 2.448 1.980 4 7 11 169 375 PRO .441 .555 .493 4 3 7 170 376 GLY .485 .000 .485 4 0 4 171 377 SER .444 .582 .494 4 2 6 172 378 PRO .464 .452 .459 4 3 7 173 379 GLU .624 .926 .806 4 5 9 174 380 GLU .665 1.110 .939 4 5 9 175 381 ALA .700 .677 .696 4 1 5 176 382 ALA .739 .699 .731 4 1 5 177 383 ALA .790 .786 .789 4 1 5 178 384 LEU .849 .748 .800 4 4 8 179 385 VAL .859 .930 .890 4 3 7 180 386 ASP 1.023 1.058 1.041 4 4 8 181 387 GLY 1.559 .000 1.559 4 0 4 182 388 LEU 1.685 1.972 1.834 4 4 8 183 389 ARG 1.784 1.583 1.659 4 7 11 184 390 ARG 1.540 4.287 3.544 4 7 11 185 391 GLU 2.400 4.389 3.642 4 5 9 186 392 PRO 4.540 5.148 4.810 4 3 7 187 393 GLY 5.334 .000 5.334 4 0 4 188 394 GLY 7.379 .000 7.379 3 0 3 ENDMDL Model RMS deviations: 1.2922 1.4470 1.3704 751 724 1475 MODEL 20 1 1 GLY 2.213 .000 2.213 4 0 4 2 2 SER 1.348 2.255 1.705 4 2 6 3 3 ASP .958 2.637 1.984 4 4 8 4 4 PRO .516 .574 .542 4 3 7 5 5 GLY .490 .000 .490 4 0 4 6 6 PRO .396 .353 .378 4 3 7 7 7 GLU .189 1.179 .888 4 5 9 8 8 ALA .069 .133 .086 4 1 5 9 9 ALA .092 .090 .092 4 1 5 10 10 ARG .187 .344 .296 4 7 11 11 11 LEU .187 .298 .249 4 4 8 12 12 ARG .143 1.517 1.213 4 7 11 13 13 PHE .224 .913 .740 4 7 11 14 14 ARG .239 .974 .790 4 7 11 15 15 CYS .196 .606 .385 4 2 6 16 16 PHE .180 .824 .666 4 7 11 17 17 HIS .143 .901 .703 4 6 10 18 18 TYR .055 .692 .566 4 8 12 19 19 GLU .115 .747 .562 4 5 9 20 20 GLU .216 .901 .687 4 5 9 21 21 ALA .339 .287 .329 4 1 5 22 22 THR .375 .396 .384 4 3 7 23 23 GLY .353 .000 .353 4 0 4 24 24 PRO .358 .387 .371 4 3 7 25 25 GLN .376 1.095 .854 4 5 9 26 26 GLU .338 .922 .723 4 5 9 27 27 ALA .204 .182 .200 4 1 5 28 28 LEU .159 .193 .177 4 4 8 29 29 ALA .244 .288 .253 4 1 5 30 30 GLN .206 1.121 .847 4 5 9 31 31 LEU .219 .111 .174 4 4 8 32 32 ARG .277 1.881 1.510 4 7 11 33 33 GLU .253 1.141 .867 4 5 9 34 34 LEU .281 .273 .277 4 4 8 35 35 CYS .154 1.135 .667 4 2 6 36 36 ARG .140 1.166 .934 4 7 11 37 37 GLN .250 .500 .409 4 5 9 38 38 TRP .084 .136 .123 4 10 14 39 39 LEU .152 .224 .191 4 4 8 40 40 ARG .174 1.956 1.564 4 7 11 41 41 PRO .236 .228 .232 4 3 7 42 42 GLU .212 1.216 .917 4 5 9 43 43 VAL .171 .242 .204 4 3 7 44 44 ARG .376 1.451 1.179 4 7 11 45 45 SER .146 .553 .341 4 2 6 46 46 LYS .272 .460 .388 4 5 9 47 47 GLU .264 1.930 1.449 4 5 9 48 48 GLN .233 1.792 1.345 4 5 9 49 49 MET .208 .361 .295 4 4 8 50 50 LEU .149 .519 .382 4 4 8 51 51 GLU .154 2.003 1.497 4 5 9 52 52 LEU .153 .167 .160 4 4 8 53 53 LEU .054 .149 .112 4 4 8 54 54 VAL .063 .088 .075 4 3 7 55 55 LEU .108 1.114 .791 4 4 8 56 56 GLU .108 1.405 1.050 4 5 9 57 57 GLN .114 .895 .671 4 5 9 58 58 PHE .124 .745 .599 4 7 11 59 59 LEU .077 1.130 .801 4 4 8 60 60 GLY .124 .000 .124 4 0 4 61 61 ALA .109 .101 .108 4 1 5 62 62 LEU .153 .188 .171 4 4 8 63 63 PRO .211 .226 .217 4 3 7 64 64 PRO .265 .256 .261 4 3 7 65 65 GLU .283 .545 .448 4 5 9 66 66 ILE .231 .237 .234 4 4 8 67 67 GLN .198 .200 .199 4 5 9 68 68 ALA .229 .378 .265 4 1 5 69 69 ARG .211 .785 .639 4 7 11 70 70 VAL .265 .319 .289 4 3 7 71 71 GLN .416 .723 .606 4 5 9 72 72 GLY .347 .000 .347 4 0 4 73 73 GLN .482 1.378 1.076 4 5 9 74 74 ARG .416 2.637 2.118 4 7 11 75 75 PRO .420 .487 .450 4 3 7 76 76 GLY .717 .000 .717 4 0 4 77 77 SER .291 1.229 .748 4 2 6 78 78 PRO .212 .253 .230 4 3 7 79 79 GLU .216 .721 .557 4 5 9 80 80 GLU .244 .769 .596 4 5 9 81 81 ALA .236 .274 .244 4 1 5 82 82 ALA .202 .223 .207 4 1 5 83 83 ALA .192 .229 .200 4 1 5 84 84 LEU .183 .245 .216 4 4 8 85 85 VAL .216 .305 .258 4 3 7 86 86 ASP .217 .864 .630 4 4 8 87 87 GLY .269 .000 .269 4 0 4 88 88 LEU .571 .758 .671 4 4 8 89 89 ARG 1.216 .898 1.025 4 7 11 90 90 ARG 1.505 6.602 5.345 4 7 11 91 91 GLU 1.679 3.981 3.171 4 5 9 92 92 PRO 3.732 4.003 3.850 4 3 7 93 93 GLY 4.019 .000 4.019 4 0 4 94 94 GLY 4.787 .000 4.787 4 0 4 95 301 GLY 2.208 .000 2.208 4 0 4 96 302 SER 1.346 2.255 1.704 4 2 6 97 303 ASP .956 2.627 1.977 4 4 8 98 304 PRO .519 .577 .545 4 3 7 99 305 GLY .497 .000 .497 4 0 4 100 306 PRO .402 .361 .385 4 3 7 101 307 GLU .192 1.177 .887 4 5 9 102 308 ALA .066 .123 .081 4 1 5 103 309 ALA .092 .067 .088 4 1 5 104 310 ARG .214 .285 .261 4 7 11 105 311 LEU .221 .338 .285 4 4 8 106 312 ARG .142 1.592 1.273 4 7 11 107 313 PHE .238 1.004 .814 4 7 11 108 314 ARG .239 .902 .734 4 7 11 109 315 CYS .191 .590 .375 4 2 6 110 316 PHE .126 .754 .606 4 7 11 111 317 HIS .173 .978 .765 4 6 10 112 318 TYR .103 .691 .568 4 8 12 113 319 GLU .150 .779 .589 4 5 9 114 320 GLU .217 .914 .696 4 5 9 115 321 ALA .334 .320 .331 4 1 5 116 322 THR .350 .358 .353 4 3 7 117 323 GLY .334 .000 .334 4 0 4 118 324 PRO .336 .340 .337 4 3 7 119 325 GLN .374 1.118 .870 4 5 9 120 326 GLU .366 .896 .711 4 5 9 121 327 ALA .216 .192 .211 4 1 5 122 328 LEU .173 .177 .175 4 4 8 123 329 ALA .236 .273 .244 4 1 5 124 330 GLN .224 1.380 1.040 4 5 9 125 331 LEU .240 .116 .189 4 4 8 126 332 ARG .334 1.524 1.232 4 7 11 127 333 GLU .252 1.171 .889 4 5 9 128 334 LEU .281 .276 .278 4 4 8 129 335 CYS .132 1.126 .659 4 2 6 130 336 ARG .159 1.246 .999 4 7 11 131 337 GLN .278 .530 .436 4 5 9 132 338 TRP .105 .167 .152 4 10 14 133 339 LEU .177 .274 .231 4 4 8 134 340 ARG .170 1.892 1.513 4 7 11 135 341 PRO .235 .236 .235 4 3 7 136 342 GLU .196 1.290 .970 4 5 9 137 343 VAL .154 .153 .154 4 3 7 138 344 ARG .372 1.438 1.169 4 7 11 139 345 SER .157 .532 .333 4 2 6 140 346 LYS .302 .567 .468 4 5 9 141 347 GLU .279 1.887 1.419 4 5 9 142 348 GLN .224 1.812 1.359 4 5 9 143 349 MET .184 .290 .243 4 4 8 144 350 LEU .125 .543 .394 4 4 8 145 351 GLU .167 2.002 1.496 4 5 9 146 352 LEU .164 .198 .182 4 4 8 147 353 LEU .053 .122 .094 4 4 8 148 354 VAL .069 .091 .079 4 3 7 149 355 LEU .121 .852 .608 4 4 8 150 356 GLU .121 1.327 .992 4 5 9 151 357 GLN .145 .873 .658 4 5 9 152 358 PHE .175 .682 .554 4 7 11 153 359 LEU .096 1.221 .866 4 4 8 154 360 GLY .162 .000 .162 4 0 4 155 361 ALA .136 .143 .137 4 1 5 156 362 LEU .172 .347 .274 4 4 8 157 363 PRO .208 .215 .211 4 3 7 158 364 PRO .242 .237 .240 4 3 7 159 365 GLU .257 .522 .425 4 5 9 160 366 ILE .219 .211 .215 4 4 8 161 367 GLN .196 .177 .185 4 5 9 162 368 ALA .227 .376 .264 4 1 5 163 369 ARG .189 .790 .641 4 7 11 164 370 VAL .267 .302 .282 4 3 7 165 371 GLN .429 .737 .620 4 5 9 166 372 GLY .350 .000 .350 4 0 4 167 373 GLN .489 1.280 1.008 4 5 9 168 374 ARG .410 2.528 2.032 4 7 11 169 375 PRO .414 .498 .452 4 3 7 170 376 GLY .721 .000 .721 4 0 4 171 377 SER .294 1.232 .751 4 2 6 172 378 PRO .235 .273 .252 4 3 7 173 379 GLU .213 .728 .561 4 5 9 174 380 GLU .248 .792 .613 4 5 9 175 381 ALA .224 .281 .236 4 1 5 176 382 ALA .156 .176 .160 4 1 5 177 383 ALA .136 .184 .147 4 1 5 178 384 LEU .158 .253 .211 4 4 8 179 385 VAL .211 1.635 1.082 4 3 7 180 386 ASP .166 .847 .610 4 4 8 181 387 GLY .251 .000 .251 4 0 4 182 388 LEU .568 .793 .689 4 4 8 183 389 ARG 1.193 .911 1.023 4 7 11 184 390 ARG 1.478 6.571 5.317 4 7 11 185 391 GLU 1.676 3.967 3.161 4 5 9 186 392 PRO 3.734 3.992 3.846 4 3 7 187 393 GLY 4.039 .000 4.039 4 0 4 188 394 GLY 4.674 .000 4.674 3 0 3 ENDMDL Model RMS deviations: .8625 1.4996 1.2176 751 724 1475 ALL MODELS 1 1 GLY 3.126 .000 3.126 80 0 80 2 2 SER 2.408 3.454 2.800 80 40 120 3 3 ASP 1.441 2.088 1.794 80 80 160 4 4 PRO 1.086 1.091 1.088 80 60 140 5 5 GLY .815 .000 .815 80 0 80 6 6 PRO .615 .801 .701 80 60 140 7 7 GLU .667 1.755 1.382 80 100 180 8 8 ALA .590 .603 .593 80 20 100 9 9 ALA .513 .484 .507 80 20 100 10 10 ARG .521 .981 .844 80 140 220 11 11 LEU .546 1.196 .930 80 80 160 12 12 ARG .536 .998 .859 80 140 220 13 13 PHE .463 .993 .840 80 140 220 14 14 ARG .480 1.628 1.331 80 140 220 15 15 CYS .504 .837 .635 80 40 120 16 16 PHE .502 1.026 .872 80 140 220 17 17 HIS .543 1.197 .989 80 120 200 18 18 TYR .521 .980 .855 80 160 240 19 19 GLU .599 .986 .836 80 100 180 20 20 GLU .660 1.111 .938 80 100 180 21 21 ALA .737 .754 .740 80 20 100 22 22 THR .705 .702 .704 80 60 140 23 23 GLY .624 .000 .624 80 0 80 24 24 PRO .553 .582 .565 80 60 140 25 25 GLN .582 .873 .758 80 100 180 26 26 GLU .589 1.022 .857 80 100 180 27 27 ALA .525 .518 .524 80 20 100 28 28 LEU .479 .468 .473 80 80 160 29 29 ALA .537 .583 .547 80 20 100 30 30 GLN .524 1.266 1.006 80 100 180 31 31 LEU .473 .419 .447 80 80 160 32 32 ARG .516 1.653 1.355 80 140 220 33 33 GLU .577 1.467 1.159 80 100 180 34 34 LEU .539 .580 .560 80 80 160 35 35 CYS .455 .984 .679 80 40 120 36 36 ARG .462 .972 .824 80 140 220 37 37 GLN .477 .656 .583 80 100 180 38 38 TRP .445 .410 .421 80 200 280 39 39 LEU .430 .405 .418 80 80 160 40 40 ARG .412 1.651 1.340 80 140 220 41 41 PRO .396 .422 .408 80 60 140 42 42 GLU .465 1.908 1.456 80 100 180 43 43 VAL .458 .785 .620 80 60 140 44 44 ARG .367 .994 .824 80 140 220 45 45 SER .289 .623 .430 80 40 120 46 46 LYS .309 .882 .689 80 100 180 47 47 GLU .377 1.860 1.409 80 100 180 48 48 GLN .389 1.355 1.043 80 100 180 49 49 MET .309 .472 .399 80 80 160 50 50 LEU .326 .609 .488 80 80 160 51 51 GLU .372 1.561 1.190 80 100 180 52 52 LEU .371 .485 .432 80 80 160 53 53 LEU .324 .416 .373 80 80 160 54 54 VAL .363 .404 .381 80 60 140 55 55 LEU .360 1.037 .776 80 80 160 56 56 GLU .375 1.640 1.248 80 100 180 57 57 GLN .406 .984 .781 80 100 180 58 58 PHE .406 .988 .825 80 140 220 59 59 LEU .451 1.005 .779 80 80 160 60 60 GLY .509 .000 .509 80 0 80 61 61 ALA .503 .479 .498 80 20 100 62 62 LEU .525 .495 .510 80 80 160 63 63 PRO .601 .605 .603 80 60 140 64 64 PRO .684 .714 .697 80 60 140 65 65 GLU .690 1.287 1.064 80 100 180 66 66 ILE .621 .610 .615 80 80 160 67 67 GLN .592 .571 .580 80 100 180 68 68 ALA .683 .720 .690 80 20 100 69 69 ARG .682 1.340 1.145 80 140 220 70 70 VAL .656 .703 .676 80 60 140 71 71 GLN .689 .798 .752 80 100 180 72 72 GLY .733 .000 .733 80 0 80 73 73 GLN .683 1.445 1.170 80 100 180 74 74 ARG .629 1.393 1.174 80 140 220 75 75 PRO .620 .590 .607 80 60 140 76 76 GLY .673 .000 .673 80 0 80 77 77 SER .499 .782 .608 80 40 120 78 78 PRO .468 .455 .462 80 60 140 79 79 GLU .546 .965 .807 80 100 180 80 80 GLU .582 .967 .819 80 100 180 81 81 ALA .547 .493 .536 80 20 100 82 82 ALA .600 .566 .593 80 20 100 83 83 ALA .730 .741 .732 80 20 100 84 84 LEU .731 .723 .727 80 80 160 85 85 VAL .679 .719 .696 80 60 140 86 86 ASP .787 1.106 .959 80 80 160 87 87 GLY .923 .000 .923 80 0 80 88 88 LEU .952 1.234 1.102 80 80 160 89 89 ARG 1.310 1.252 1.273 80 140 220 90 90 ARG 1.745 5.319 4.371 80 140 220 91 91 GLU 3.410 5.372 4.604 80 100 180 92 92 PRO 5.849 5.651 5.765 80 60 140 93 93 GLY 8.180 .000 8.180 80 0 80 94 94 GLY 10.079 .000 10.079 80 0 80 95 301 GLY 3.127 .000 3.127 80 0 80 96 302 SER 2.410 3.457 2.803 80 40 120 97 303 ASP 1.443 2.090 1.796 80 80 160 98 304 PRO 1.086 1.090 1.088 80 60 140 99 305 GLY .816 .000 .816 80 0 80 100 306 PRO .618 .803 .703 80 60 140 101 307 GLU .669 1.753 1.381 80 100 180 102 308 ALA .595 .606 .597 80 20 100 103 309 ALA .518 .487 .512 80 20 100 104 310 ARG .528 .993 .854 80 140 220 105 311 LEU .554 1.202 .936 80 80 160 106 312 ARG .541 .951 .826 80 140 220 107 313 PHE .467 .984 .834 80 140 220 108 314 ARG .495 1.528 1.255 80 140 220 109 315 CYS .512 .845 .643 80 40 120 110 316 PHE .499 1.016 .865 80 140 220 111 317 HIS .544 1.187 .982 80 120 200 112 318 TYR .523 .983 .858 80 160 240 113 319 GLU .600 .987 .837 80 100 180 114 320 GLU .662 1.117 .942 80 100 180 115 321 ALA .741 .763 .746 80 20 100 116 322 THR .706 .710 .708 80 60 140 117 323 GLY .622 .000 .622 80 0 80 118 324 PRO .551 .578 .563 80 60 140 119 325 GLN .584 .876 .760 80 100 180 120 326 GLU .590 1.013 .851 80 100 180 121 327 ALA .523 .520 .522 80 20 100 122 328 LEU .481 .467 .474 80 80 160 123 329 ALA .541 .587 .551 80 20 100 124 330 GLN .529 1.201 .962 80 100 180 125 331 LEU .482 .429 .456 80 80 160 126 332 ARG .524 1.659 1.360 80 140 220 127 333 GLU .595 1.482 1.173 80 100 180 128 334 LEU .562 .595 .579 80 80 160 129 335 CYS .466 .978 .681 80 40 120 130 336 ARG .483 1.157 .967 80 140 220 131 337 GLN .492 .884 .736 80 100 180 132 338 TRP .447 .420 .428 80 200 280 133 339 LEU .429 .405 .417 80 80 160 134 340 ARG .403 1.589 1.291 80 140 220 135 341 PRO .390 .410 .399 80 60 140 136 342 GLU .456 1.950 1.485 80 100 180 137 343 VAL .454 .686 .565 80 60 140 138 344 ARG .343 .941 .778 80 140 220 139 345 SER .290 .636 .437 80 40 120 140 346 LYS .307 .981 .759 80 100 180 141 347 GLU .377 1.851 1.402 80 100 180 142 348 GLN .372 1.359 1.043 80 100 180 143 349 MET .297 .515 .420 80 80 160 144 350 LEU .316 .731 .563 80 80 160 145 351 GLU .374 1.580 1.204 80 100 180 146 352 LEU .365 .480 .426 80 80 160 147 353 LEU .316 .406 .364 80 80 160 148 354 VAL .362 .404 .381 80 60 140 149 355 LEU .357 1.018 .763 80 80 160 150 356 GLU .374 1.611 1.227 80 100 180 151 357 GLN .411 .957 .764 80 100 180 152 358 PHE .405 .967 .809 80 140 220 153 359 LEU .455 .977 .762 80 80 160 154 360 GLY .517 .000 .517 80 0 80 155 361 ALA .505 .479 .500 80 20 100 156 362 LEU .524 .492 .509 80 80 160 157 363 PRO .602 .606 .603 80 60 140 158 364 PRO .686 .718 .700 80 60 140 159 365 GLU .692 1.294 1.069 80 100 180 160 366 ILE .617 .606 .611 80 80 160 161 367 GLN .588 .566 .576 80 100 180 162 368 ALA .681 .718 .689 80 20 100 163 369 ARG .678 1.358 1.158 80 140 220 164 370 VAL .653 .703 .675 80 60 140 165 371 GLN .692 .785 .745 80 100 180 166 372 GLY .739 .000 .739 80 0 80 167 373 GLN .696 1.505 1.214 80 100 180 168 374 ARG .633 1.537 1.284 80 140 220 169 375 PRO .625 .596 .613 80 60 140 170 376 GLY .674 .000 .674 80 0 80 171 377 SER .491 .785 .605 80 40 120 172 378 PRO .460 .452 .456 80 60 140 173 379 GLU .545 .969 .809 80 100 180 174 380 GLU .584 .976 .825 80 100 180 175 381 ALA .547 .492 .536 80 20 100 176 382 ALA .602 .567 .595 80 20 100 177 383 ALA .730 .743 .733 80 20 100 178 384 LEU .732 .727 .729 80 80 160 179 385 VAL .682 1.070 .870 80 60 140 180 386 ASP .785 1.099 .955 80 80 160 181 387 GLY .921 .000 .921 80 0 80 182 388 LEU .948 1.231 1.099 80 80 160 183 389 ARG 1.308 1.261 1.279 80 140 220 184 390 ARG 1.745 5.318 4.371 80 140 220 185 391 GLU 3.404 5.367 4.599 80 100 180 186 392 PRO 5.846 5.651 5.763 80 60 140 187 393 GLY 8.178 .000 8.178 80 0 80 188 394 GLY 9.866 .000 9.866 60 0 60 ENDMDL Overall RMS deviation: 1.6319 1.5550 1.5946 15020 14480 29500