REMARK Name = BDB058837 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ILE A 14 -0.147 -4.764 -0.720 0.00 0.00 +0.162 C ATOM 2 C ILE A 14 1.158 -4.825 -1.529 0.00 0.00 +0.234 C ATOM 3 O ILE A 14 1.381 -5.765 -2.298 0.00 0.00 -0.274 OA ATOM 4 N CYS A 1 2.144 -3.914 -1.326 0.00 0.00 -0.302 N ATOM 5 H CYS A 1 2.935 -4.107 -1.939 0.00 0.00 +0.150 HD ATOM 6 CA CYS A 1 2.065 -2.511 -0.874 0.00 0.00 +0.169 C ATOM 7 C CYS A 1 3.427 -1.868 -1.211 0.00 0.00 +0.235 C ATOM 8 N PHE A 2 4.586 -2.611 -1.092 0.00 0.00 -0.302 N ATOM 9 H PHE A 2 5.336 -2.044 -1.502 0.00 0.00 +0.150 HD ATOM 10 CA PHE A 2 5.069 -3.220 0.175 0.00 0.00 +0.163 C ATOM 11 C PHE A 2 6.601 -3.448 0.079 0.00 0.00 +0.237 C ATOM 12 N PRO A 3 7.435 -2.506 0.644 0.00 0.00 -0.288 N ATOM 13 CA PRO A 3 7.194 -1.060 0.791 0.00 0.00 +0.162 C ATOM 14 C PRO A 3 7.354 -0.490 -0.644 0.00 0.00 +0.234 C ATOM 15 N ASP A 4 8.165 0.578 -0.905 0.00 0.00 -0.302 N ATOM 16 H ASP A 4 8.174 0.664 -1.926 0.00 0.00 +0.150 HD ATOM 17 CA ASP A 4 7.926 1.915 -0.327 0.00 0.00 +0.169 C ATOM 18 C ASP A 4 7.012 2.628 -1.337 0.00 0.00 +0.234 C ATOM 19 N GLY A 5 6.215 3.653 -0.955 0.00 0.00 -0.305 N ATOM 20 H GLY A 5 5.547 3.889 -1.687 0.00 0.00 +0.149 HD ATOM 21 CA GLY A 5 6.001 4.199 0.376 0.00 0.00 +0.200 C ATOM 22 C GLY A 5 4.875 3.492 1.119 0.00 0.00 +0.231 C ATOM 23 N ARG A 6 3.581 3.919 0.999 0.00 0.00 -0.303 N ATOM 24 H ARG A 6 2.970 3.292 1.528 0.00 0.00 +0.149 HD ATOM 25 CA ARG A 6 2.907 4.456 -0.193 0.00 0.00 +0.159 C ATOM 26 C ARG A 6 2.873 3.296 -1.206 0.00 0.00 +0.234 C ATOM 27 N CYS A 7 2.071 2.213 -0.935 0.00 0.00 -0.302 N ATOM 28 H CYS A 7 2.321 1.462 -1.577 0.00 0.00 +0.150 HD ATOM 29 CA CYS A 7 0.619 2.338 -0.664 0.00 0.00 +0.169 C ATOM 30 CB CYS A 7 -0.128 1.031 -1.024 0.00 0.00 +0.112 C ATOM 31 SG CYS A 7 -0.433 -0.195 0.309 0.00 0.00 -0.091 S ATOM 32 SG CYS A 1 1.416 -0.575 1.110 0.00 0.00 -0.091 S ATOM 33 C CYS A 7 0.297 2.800 0.780 0.00 0.00 +0.235 C ATOM 34 O CYS A 7 1.131 2.767 1.690 0.00 0.00 -0.274 OA ATOM 35 N TYR A 8 -0.952 3.255 1.119 0.00 0.00 -0.302 N ATOM 36 H TYR A 8 -0.954 3.404 2.125 0.00 0.00 +0.150 HD ATOM 37 CA TYR A 8 -1.728 4.284 0.402 0.00 0.00 +0.163 C ATOM 38 C TYR A 8 -2.422 3.711 -0.841 0.00 0.00 +0.234 C ATOM 39 O TYR A 8 -1.929 3.804 -1.966 0.00 0.00 -0.274 OA ATOM 40 N LYS A 9 -3.588 3.015 -0.712 0.00 0.00 -0.302 N ATOM 41 H LYS A 9 -3.840 2.574 -1.584 0.00 0.00 +0.150 HD ATOM 42 CA LYS A 9 -4.198 2.455 0.498 0.00 0.00 +0.159 C ATOM 43 C LYS A 9 -4.114 0.912 0.440 0.00 0.00 +0.234 C ATOM 44 O LYS A 9 -3.943 0.247 1.459 0.00 0.00 -0.274 OA ATOM 45 N SER A 10 -4.353 0.259 -0.756 0.00 0.00 -0.301 N ATOM 46 H SER A 10 -3.982 -0.685 -0.659 0.00 0.00 +0.150 HD ATOM 47 CA SER A 10 -5.732 0.172 -1.277 0.00 0.00 +0.184 C ATOM 48 C SER A 10 -6.108 -1.261 -1.747 0.00 0.00 +0.236 C ATOM 49 O SER A 10 -6.604 -1.457 -2.859 0.00 0.00 -0.274 OA ATOM 50 N ILE A 11 -5.988 -2.338 -0.920 0.00 0.00 -0.302 N ATOM 51 H ILE A 11 -6.410 -3.153 -1.373 0.00 0.00 +0.150 HD ATOM 52 CA ILE A 11 -6.003 -2.389 0.545 0.00 0.00 +0.162 C ATOM 53 C ILE A 11 -5.481 -3.733 1.140 0.00 0.00 +0.237 C ATOM 54 O ILE A 11 -4.928 -3.760 2.244 0.00 0.00 -0.274 OA ATOM 55 N PRO A 12 -5.857 -4.912 0.491 0.00 0.00 -0.288 N ATOM 56 CA PRO A 12 -4.935 -5.435 -0.542 0.00 0.00 +0.162 C ATOM 57 CB PRO A 12 -4.881 -6.955 -0.314 0.00 0.00 +0.033 C ATOM 58 CG PRO A 12 -6.154 -7.243 0.462 0.00 0.00 +0.021 C ATOM 59 C PRO A 12 -5.398 -5.126 -1.980 0.00 0.00 +0.237 C ATOM 60 O PRO A 12 -6.564 -4.779 -2.197 0.00 0.00 -0.274 OA ATOM 61 N PRO A 13 -4.478 -5.213 -2.999 0.00 0.00 -0.288 N ATOM 62 CA PRO A 13 -3.110 -5.726 -2.935 0.00 0.00 +0.162 C ATOM 63 CB PRO A 13 -2.674 -5.852 -4.396 0.00 0.00 +0.033 C ATOM 64 CG PRO A 13 -3.514 -4.795 -5.106 0.00 0.00 +0.021 C ATOM 65 C PRO A 13 -2.161 -4.783 -2.172 0.00 0.00 +0.234 C ATOM 66 O PRO A 13 -2.300 -3.561 -2.147 0.00 0.00 -0.274 OA ATOM 67 CD PRO A 13 -4.836 -4.842 -4.358 0.00 0.00 +0.109 C ATOM 68 CD PRO A 12 -6.245 -6.021 1.351 0.00 0.00 +0.109 C ATOM 69 O ARG A 6 3.625 3.271 -2.181 0.00 0.00 -0.274 OA ATOM 70 O GLY A 5 5.113 2.500 1.815 0.00 0.00 -0.274 OA ATOM 71 O ASP A 4 7.062 2.327 -2.534 0.00 0.00 -0.274 OA ATOM 72 O PRO A 3 6.798 -1.034 -1.601 0.00 0.00 -0.274 OA ATOM 73 CB PRO A 3 8.271 -0.690 1.804 0.00 0.00 +0.033 C ATOM 74 CG PRO A 3 9.467 -1.540 1.387 0.00 0.00 +0.021 C ATOM 75 CD PRO A 3 8.838 -2.821 0.857 0.00 0.00 +0.109 C ATOM 76 O PHE A 2 7.066 -4.441 -0.493 0.00 0.00 -0.274 OA ATOM 77 O CYS A 1 3.487 -0.686 -1.550 0.00 0.00 -0.274 OA ATOM 78 CB CYS A 1 1.737 -2.296 0.607 0.00 0.00 +0.112 C ATOM 79 N ILE A 14 -1.168 -5.458 -1.498 0.00 0.00 -0.302 N ATOM 80 H ILE A 14 -0.895 -6.372 -1.841 0.00 0.00 +0.150 HD ENDROOT BRANCH 52 81 ATOM 81 CB ILE A 11 -7.412 -2.018 1.094 0.00 0.00 +0.015 C ATOM 82 CG2 ILE A 11 -8.515 -2.977 0.627 0.00 0.00 +0.010 C BRANCH 81 83 ATOM 83 CG1 ILE A 11 -7.401 -1.877 2.632 0.00 0.00 +0.002 C ATOM 84 CD1 ILE A 11 -8.660 -1.222 3.185 0.00 0.00 +0.004 C ENDBRANCH 81 83 ENDBRANCH 52 81 BRANCH 1 85 ATOM 85 CB ILE A 14 0.032 -5.410 0.681 0.00 0.00 +0.015 C ATOM 86 CG2 ILE A 14 -1.200 -5.125 1.551 0.00 0.00 +0.010 C BRANCH 85 88 ATOM 87 CD1 ILE A 14 0.706 -7.509 1.988 0.00 0.00 +0.004 C ATOM 88 CG1 ILE A 14 0.350 -6.921 0.628 0.00 0.00 +0.002 C ENDBRANCH 85 88 ENDBRANCH 1 85 BRANCH 47 89 ATOM 89 CB SER A 10 -5.982 1.115 -2.474 0.00 0.00 +0.187 C BRANCH 89 90 ATOM 90 OG SER A 10 -7.379 1.244 -2.735 0.00 0.00 -0.393 OA ATOM 91 H SER A 10 -7.658 0.381 -3.117 0.00 0.00 +0.209 HD ENDBRANCH 89 90 ENDBRANCH 47 89 BRANCH 25 92 ATOM 92 CB ARG A 6 3.461 5.760 -0.776 0.00 0.00 +0.033 C BRANCH 92 93 ATOM 93 CG ARG A 6 2.430 6.460 -1.676 0.00 0.00 +0.023 C BRANCH 93 94 ATOM 94 CD ARG A 6 3.039 7.501 -2.618 0.00 0.00 +0.115 C BRANCH 94 95 ATOM 95 NE ARG A 6 3.584 8.634 -1.893 0.00 0.00 -0.356 N ATOM 96 HE ARG A 6 2.906 9.080 -1.281 0.00 0.00 +0.162 HD BRANCH 95 97 ATOM 97 CZ ARG A 6 4.802 8.674 -1.320 0.00 0.00 +0.188 C ATOM 98 NH1 ARG A 6 4.954 9.252 -0.185 0.00 0.00 -0.269 NA ATOM 99 HH1 ARG A 6 5.928 9.174 0.111 0.00 0.00 +0.190 HD BRANCH 97 100 ATOM 100 NH2 ARG A 6 5.803 8.091 -2.003 0.00 0.00 -0.370 N ATOM 101 HH21 ARG A 6 5.700 8.187 -3.007 0.00 0.00 +0.159 HD ATOM 102 HH22 ARG A 6 6.731 8.366 -1.714 0.00 0.00 +0.159 HD ENDBRANCH 97 100 ENDBRANCH 95 97 ENDBRANCH 94 95 ENDBRANCH 93 94 ENDBRANCH 92 93 ENDBRANCH 25 92 BRANCH 42 103 ATOM 103 CB LYS A 9 -5.644 2.934 0.688 0.00 0.00 +0.032 C BRANCH 103 104 ATOM 104 CG LYS A 9 -5.793 4.432 0.988 0.00 0.00 +0.003 C BRANCH 104 105 ATOM 105 CD LYS A 9 -5.353 4.819 2.402 0.00 0.00 +0.015 C BRANCH 105 106 ATOM 106 CE LYS A 9 -5.522 6.312 2.696 0.00 0.00 +0.077 C BRANCH 106 107 ATOM 107 NZ LYS A 9 -6.926 6.704 2.767 0.00 0.00 -0.330 NA ATOM 108 HZ1 LYS A 9 -6.983 7.698 2.990 0.00 0.00 +0.118 HD ATOM 109 HZ2 LYS A 9 -7.364 6.604 1.852 0.00 0.00 +0.118 HD ENDBRANCH 106 107 ENDBRANCH 105 106 ENDBRANCH 104 105 ENDBRANCH 103 104 ENDBRANCH 42 103 BRANCH 17 110 ATOM 110 CB ASP A 4 9.236 2.692 -0.252 0.00 0.00 +0.152 C BRANCH 110 111 ATOM 111 CG ASP A 4 9.729 2.736 1.163 0.00 0.00 +0.307 C ATOM 112 OD1 ASP A 4 9.174 3.369 2.049 0.00 0.00 -0.251 OA BRANCH 111 113 ATOM 113 OD2 ASP A 4 10.839 2.002 1.383 0.00 0.00 -0.481 OA ATOM 114 HD2 ASP A 4 11.177 1.513 0.608 0.00 0.00 +0.295 HD ENDBRANCH 111 113 ENDBRANCH 110 111 ENDBRANCH 17 110 BRANCH 37 115 ATOM 115 CB TYR A 8 -0.879 5.526 0.074 0.00 0.00 +0.067 C BRANCH 115 116 ATOM 116 CG TYR A 8 -1.697 6.795 0.002 0.00 0.00 -0.045 A ATOM 117 CD2 TYR A 8 -2.355 7.160 -1.180 0.00 0.00 +0.007 A ATOM 118 CE2 TYR A 8 -3.110 8.335 -1.236 0.00 0.00 +0.045 A ATOM 119 CZ TYR A 8 -3.204 9.144 -0.109 0.00 0.00 +0.117 A ATOM 120 CE1 TYR A 8 -2.562 8.796 1.073 0.00 0.00 +0.045 A ATOM 121 CD1 TYR A 8 -1.809 7.621 1.130 0.00 0.00 +0.007 A BRANCH 119 122 ATOM 122 OH TYR A 8 -3.926 10.301 -0.121 0.00 0.00 -0.507 OA ATOM 123 HH TYR A 8 -4.215 10.477 -1.031 0.00 0.00 +0.292 HD ENDBRANCH 119 122 ENDBRANCH 115 116 ENDBRANCH 37 115 BRANCH 10 124 ATOM 124 CB PHE A 2 4.456 -4.594 0.542 0.00 0.00 +0.067 C BRANCH 124 125 ATOM 125 CG PHE A 2 4.921 -5.114 1.889 0.00 0.00 -0.045 A ATOM 126 CD2 PHE A 2 4.459 -4.537 3.079 0.00 0.00 +0.004 A ATOM 127 CE2 PHE A 2 4.923 -4.996 4.314 0.00 0.00 +0.000 A ATOM 128 CZ PHE A 2 5.847 -6.037 4.371 0.00 0.00 +0.000 A ATOM 129 CE1 PHE A 2 6.307 -6.623 3.195 0.00 0.00 +0.000 A ATOM 130 CD1 PHE A 2 5.847 -6.165 1.958 0.00 0.00 +0.004 A ENDBRANCH 124 125 ENDBRANCH 10 124 TORSDOF 25