REMARK Name = BDB048399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA CYS A 1 -2.856 -4.987 -1.055 0.00 0.00 +0.169 C ATOM 2 C CYS A 1 -4.376 -4.918 -0.827 0.00 0.00 +0.235 C ATOM 3 O CYS A 1 -5.064 -5.943 -0.782 0.00 0.00 -0.274 OA ATOM 4 N LEU A 2 -5.015 -3.708 -0.848 0.00 0.00 -0.302 N ATOM 5 H LEU A 2 -5.978 -3.916 -1.084 0.00 0.00 +0.150 HD ATOM 6 CA LEU A 2 -5.041 -2.763 0.284 0.00 0.00 +0.159 C ATOM 7 C LEU A 2 -3.727 -2.032 0.631 0.00 0.00 +0.234 C ATOM 8 O LEU A 2 -2.692 -2.650 0.889 0.00 0.00 -0.274 OA ATOM 9 N ASP A 3 -3.666 -0.675 0.738 0.00 0.00 -0.302 N ATOM 10 H ASP A 3 -2.723 -0.413 0.996 0.00 0.00 +0.150 HD ATOM 11 CA ASP A 3 -4.413 0.392 0.052 0.00 0.00 +0.170 C ATOM 12 C ASP A 3 -5.851 0.654 0.555 0.00 0.00 +0.237 C ATOM 13 O ASP A 3 -6.571 -0.249 0.980 0.00 0.00 -0.274 OA ATOM 14 N PRO A 4 -6.348 1.936 0.389 0.00 0.00 -0.288 N ATOM 15 CA PRO A 4 -5.626 3.177 0.040 0.00 0.00 +0.162 C ATOM 16 CB PRO A 4 -6.755 4.121 -0.377 0.00 0.00 +0.033 C ATOM 17 CG PRO A 4 -7.898 3.720 0.555 0.00 0.00 +0.021 C ATOM 18 C PRO A 4 -4.855 3.741 1.252 0.00 0.00 +0.234 C ATOM 19 O PRO A 4 -5.049 3.324 2.396 0.00 0.00 -0.274 OA ATOM 20 N GLU A 5 -3.946 4.731 1.109 0.00 0.00 -0.302 N ATOM 21 H GLU A 5 -3.466 4.947 1.979 0.00 0.00 +0.150 HD ATOM 22 CA GLU A 5 -3.339 5.343 -0.080 0.00 0.00 +0.159 C ATOM 23 C GLU A 5 -1.832 5.548 0.207 0.00 0.00 +0.234 C ATOM 24 O GLU A 5 -1.418 5.636 1.360 0.00 0.00 -0.274 OA ATOM 25 N THR A 6 -0.948 5.718 -0.819 0.00 0.00 -0.300 N ATOM 26 H THR A 6 0.005 5.843 -0.493 0.00 0.00 +0.150 HD ATOM 27 CA THR A 6 -1.163 5.493 -2.249 0.00 0.00 +0.187 C ATOM 28 C THR A 6 -1.117 3.992 -2.626 0.00 0.00 +0.236 C ATOM 29 O THR A 6 -1.942 3.549 -3.438 0.00 0.00 -0.274 OA ATOM 30 N GLY A 7 -0.157 3.156 -2.139 0.00 0.00 -0.305 N ATOM 31 H GLY A 7 -0.304 2.169 -2.321 0.00 0.00 +0.149 HD ATOM 32 CA GLY A 7 0.944 3.475 -1.251 0.00 0.00 +0.200 C ATOM 33 C GLY A 7 1.879 2.313 -0.916 0.00 0.00 +0.231 C ATOM 34 O GLY A 7 1.493 1.182 -0.659 0.00 0.00 -0.274 OA ATOM 35 N GLU A 8 3.196 2.705 -0.779 0.00 0.00 -0.303 N ATOM 36 H GLU A 8 3.530 3.485 -1.340 0.00 0.00 +0.149 HD ATOM 37 CA GLU A 8 4.184 1.846 -0.132 0.00 0.00 +0.159 C ATOM 38 C GLU A 8 3.817 1.737 1.370 0.00 0.00 +0.234 C ATOM 39 O GLU A 8 3.171 2.620 1.943 0.00 0.00 -0.274 OA ATOM 40 N TYR A 9 4.285 0.702 2.120 0.00 0.00 -0.302 N ATOM 41 H TYR A 9 3.916 0.705 3.066 0.00 0.00 +0.150 HD ATOM 42 CA TYR A 9 5.230 -0.375 1.802 0.00 0.00 +0.163 C ATOM 43 C TYR A 9 4.570 -1.674 2.274 0.00 0.00 +0.234 C ATOM 44 O TYR A 9 4.091 -1.763 3.409 0.00 0.00 -0.274 OA ATOM 45 N LEU A 10 4.518 -2.775 1.467 0.00 0.00 -0.302 N ATOM 46 H LEU A 10 4.078 -3.562 1.924 0.00 0.00 +0.150 HD ATOM 47 CA LEU A 10 5.051 -2.951 0.114 0.00 0.00 +0.159 C ATOM 48 C LEU A 10 4.204 -2.218 -0.955 0.00 0.00 +0.234 C ATOM 49 O LEU A 10 4.744 -1.378 -1.687 0.00 0.00 -0.274 OA ATOM 50 N CYS A 11 2.866 -2.439 -1.115 0.00 0.00 -0.300 N ATOM 51 H CYS A 11 2.539 -1.964 -1.951 0.00 0.00 +0.150 HD ATOM 52 CA CYS A 11 1.976 -3.504 -0.604 0.00 0.00 +0.192 C ATOM 53 CB CYS A 11 0.518 -3.011 -0.529 0.00 0.00 +0.114 C ATOM 54 SG CYS A 11 -0.240 -2.533 -2.126 0.00 0.00 -0.091 S ATOM 55 SG CYS A 1 -0.826 -4.321 -2.969 0.00 0.00 -0.091 S ATOM 56 CD PRO A 4 -7.739 2.215 0.707 0.00 0.00 +0.109 C ATOM 57 CB CYS A 1 -2.583 -4.485 -2.480 0.00 0.00 +0.112 C ENDROOT BRANCH 1 60 ATOM 58 C UNK A 0 -1.433 -8.317 0.148 0.00 0.00 +0.109 C ATOM 59 C UNK A 0 -1.457 -6.828 -0.086 0.00 0.00 +0.211 C ATOM 60 N CYS A 1 -2.491 -6.407 -0.890 0.00 0.00 -0.303 N ATOM 61 H CYS A 1 -3.240 -7.060 -1.101 0.00 0.00 +0.149 HD ATOM 62 O UNK A 0 -0.598 -6.078 0.381 0.00 0.00 -0.276 OA ENDBRANCH 1 60 BRANCH 52 63 ATOM 63 C CYS A 11 2.157 -4.784 -1.442 0.00 0.00 +0.326 C ATOM 64 O CYS A 11 2.901 -4.871 -2.412 0.00 0.00 -0.249 OA BRANCH 63 65 ATOM 65 OXT CYS A 11 1.524 -5.877 -0.969 0.00 0.00 -0.479 OA ATOM 66 HXT CYS A 11 0.841 -5.745 -0.256 0.00 0.00 +0.295 HD ENDBRANCH 63 65 ENDBRANCH 52 63 BRANCH 27 67 ATOM 67 CB THR A 6 -0.270 6.363 -3.170 0.00 0.00 +0.141 C ATOM 68 CG2 THR A 6 0.143 7.699 -2.540 0.00 0.00 +0.040 C BRANCH 67 69 ATOM 69 OG1 THR A 6 0.946 5.705 -3.563 0.00 0.00 -0.390 OA ATOM 70 HG1 THR A 6 0.842 5.496 -4.514 0.00 0.00 +0.210 HD ENDBRANCH 67 69 ENDBRANCH 27 67 BRANCH 37 71 ATOM 71 CB GLU A 8 5.606 2.397 -0.320 0.00 0.00 +0.043 C BRANCH 71 72 ATOM 72 CG GLU A 8 5.932 3.710 0.409 0.00 0.00 +0.123 C BRANCH 72 73 ATOM 73 CD GLU A 8 5.223 4.946 -0.097 0.00 0.00 +0.305 C ATOM 74 OE1 GLU A 8 5.058 5.988 0.514 0.00 0.00 -0.251 OA BRANCH 73 75 ATOM 75 OE2 GLU A 8 4.840 4.870 -1.391 0.00 0.00 -0.481 OA ATOM 76 HE2 GLU A 8 4.536 5.779 -1.610 0.00 0.00 +0.295 HD ENDBRANCH 73 75 ENDBRANCH 72 73 ENDBRANCH 71 72 ENDBRANCH 37 71 BRANCH 42 77 ATOM 77 CB TYR A 9 6.518 -0.117 2.595 0.00 0.00 +0.067 C BRANCH 77 78 ATOM 78 CG TYR A 9 7.676 -1.020 2.280 0.00 0.00 -0.045 A ATOM 79 CD2 TYR A 9 7.911 -2.159 3.064 0.00 0.00 +0.007 A ATOM 80 CE2 TYR A 9 8.996 -2.997 2.796 0.00 0.00 +0.045 A ATOM 81 CZ TYR A 9 9.842 -2.706 1.736 0.00 0.00 +0.117 A ATOM 82 CE1 TYR A 9 9.631 -1.574 0.960 0.00 0.00 +0.045 A ATOM 83 CD1 TYR A 9 8.555 -0.734 1.226 0.00 0.00 +0.007 A BRANCH 81 84 ATOM 84 OH TYR A 9 10.898 -3.497 1.416 0.00 0.00 -0.507 OA ATOM 85 HH TYR A 9 10.983 -4.177 2.103 0.00 0.00 +0.292 HD ENDBRANCH 81 84 ENDBRANCH 77 78 ENDBRANCH 42 77 BRANCH 22 86 ATOM 86 CB GLU A 5 -3.962 6.711 -0.398 0.00 0.00 +0.043 C BRANCH 86 87 ATOM 87 CG GLU A 5 -3.933 7.710 0.769 0.00 0.00 +0.123 C BRANCH 87 88 ATOM 88 CD GLU A 5 -4.550 9.033 0.368 0.00 0.00 +0.305 C ATOM 89 OE1 GLU A 5 -4.845 9.340 -0.779 0.00 0.00 -0.251 OA BRANCH 88 90 ATOM 90 OE2 GLU A 5 -4.739 9.864 1.420 0.00 0.00 -0.481 OA ATOM 91 HE2 GLU A 5 -4.414 9.498 2.266 0.00 0.00 +0.295 HD ENDBRANCH 88 90 ENDBRANCH 87 88 ENDBRANCH 86 87 ENDBRANCH 22 86 BRANCH 47 92 ATOM 92 CB LEU A 10 5.217 -4.437 -0.232 0.00 0.00 +0.034 C BRANCH 92 93 ATOM 93 CG LEU A 10 6.493 -5.068 0.355 0.00 0.00 -0.015 C ATOM 94 CD2 LEU A 10 7.745 -4.646 -0.419 0.00 0.00 +0.007 C ATOM 95 CD1 LEU A 10 6.376 -6.593 0.314 0.00 0.00 +0.007 C ENDBRANCH 92 93 ENDBRANCH 47 92 BRANCH 11 96 ATOM 96 CB ASP A 3 -4.399 0.228 -1.478 0.00 0.00 +0.152 C BRANCH 96 97 ATOM 97 CG ASP A 3 -3.327 1.098 -2.055 0.00 0.00 +0.307 C ATOM 98 OD1 ASP A 3 -2.321 1.442 -1.459 0.00 0.00 -0.251 OA BRANCH 97 99 ATOM 99 OD2 ASP A 3 -3.592 1.505 -3.306 0.00 0.00 -0.481 OA ATOM 100 HD2 ASP A 3 -2.960 2.238 -3.484 0.00 0.00 +0.295 HD ENDBRANCH 97 99 ENDBRANCH 96 97 ENDBRANCH 11 96 BRANCH 6 101 ATOM 101 CB LEU A 2 -5.583 -3.374 1.598 0.00 0.00 +0.034 C BRANCH 101 102 ATOM 102 CG LEU A 2 -7.113 -3.567 1.664 0.00 0.00 -0.015 C ATOM 103 CD2 LEU A 2 -7.611 -3.461 3.108 0.00 0.00 +0.007 C ATOM 104 CD1 LEU A 2 -7.555 -4.922 1.108 0.00 0.00 +0.007 C ENDBRANCH 101 102 ENDBRANCH 6 101 TORSDOF 23