REMARK Name = BDB060880 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 4 -0.621 2.116 -3.170 0.00 0.00 +0.163 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 4 0.038 0.985 -2.376 0.00 0.00 +0.234 C ATOM 3 N SER A 5 1.117 1.376 -1.621 0.00 0.00 -0.301 N ATOM 4 H SER A 5 1.363 2.365 -1.574 0.00 0.00 +0.150 HD ATOM 5 O UNK A 4 -0.374 -0.176 -2.391 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA SER A 5 1.695 0.545 -0.565 0.00 0.00 +0.184 C BRANCH 6 7 ATOM 7 C SER A 5 2.534 1.484 0.323 0.00 0.00 +0.236 C ATOM 8 N UNK A 6 2.880 1.012 1.574 0.00 0.00 -0.300 N ATOM 9 H UNK A 6 2.779 0.032 1.808 0.00 0.00 +0.150 HD ATOM 10 O SER A 5 2.867 2.605 -0.066 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 C UNK A 6 3.648 1.863 2.485 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C UNK A 6 4.123 1.098 3.734 0.00 0.00 +0.236 C ATOM 13 N UNK A 6 3.176 0.237 4.283 0.00 0.00 -0.302 N ATOM 14 H UNK A 6 2.250 0.537 4.003 0.00 0.00 +0.150 HD ATOM 15 O UNK A 6 5.190 1.367 4.277 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C UNK A 6 3.296 -0.054 5.722 0.00 0.00 +0.170 C BRANCH 16 17 ATOM 17 C UNK A 6 4.548 -0.899 6.107 0.00 0.00 +0.237 C ATOM 18 N UNK A 6 5.290 -0.462 7.191 0.00 0.00 -0.288 N ATOM 19 C UNK A 6 6.351 -1.283 7.797 0.00 0.00 +0.162 C ATOM 20 C UNK A 6 7.344 -0.235 8.308 0.00 0.00 +0.033 C ATOM 21 C UNK A 6 6.448 0.925 8.724 0.00 0.00 +0.021 C ATOM 22 C UNK A 6 5.380 0.919 7.644 0.00 0.00 +0.109 C ATOM 23 O UNK A 6 4.818 -1.953 5.524 0.00 0.00 -0.274 OA BRANCH 19 24 ATOM 24 C UNK A 6 5.776 -2.159 8.953 0.00 0.00 +0.234 C ATOM 25 N UNK A 6 6.563 -3.076 9.595 0.00 0.00 -0.300 N ATOM 26 H UNK A 6 6.037 -3.681 10.221 0.00 0.00 +0.150 HD ATOM 27 O UNK A 6 4.611 -2.032 9.353 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 C UNK A 6 7.972 -3.435 9.397 0.00 0.00 +0.187 C BRANCH 28 29 ATOM 29 C UNK A 6 8.106 -4.976 9.315 0.00 0.00 +0.236 C ATOM 30 N UNK A 6 9.363 -5.406 8.941 0.00 0.00 -0.305 N ATOM 31 H UNK A 6 10.111 -4.734 9.136 0.00 0.00 +0.149 HD ATOM 32 O UNK A 6 7.182 -5.747 9.565 0.00 0.00 -0.274 OA BRANCH 30 33 ATOM 33 C UNK A 6 9.736 -6.812 9.018 0.00 0.00 +0.199 C BRANCH 33 34 ATOM 34 C UNK A 6 10.406 -7.136 10.357 0.00 0.00 +0.228 C ATOM 35 O UNK A 6 10.453 -6.373 11.322 0.00 0.00 -0.274 OA ATOM 36 N UNK A 6 10.991 -8.374 10.442 0.00 0.00 -0.328 N ATOM 37 H UNK A 6 11.491 -8.578 11.302 0.00 0.00 +0.145 HD ATOM 38 H UNK A 6 11.184 -8.943 9.622 0.00 0.00 +0.145 HD ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 28 29 BRANCH 28 39 ATOM 39 C UNK A 6 8.871 -2.876 10.523 0.00 0.00 +0.141 C ATOM 40 C UNK A 6 8.605 -3.468 11.903 0.00 0.00 +0.040 C BRANCH 39 41 ATOM 41 O UNK A 6 10.248 -3.044 10.166 0.00 0.00 -0.390 OA ATOM 42 H UNK A 6 10.776 -2.814 10.957 0.00 0.00 +0.210 HD ENDBRANCH 39 41 ENDBRANCH 28 39 ENDBRANCH 25 28 ENDBRANCH 19 24 ENDBRANCH 16 17 BRANCH 16 43 ATOM 43 C UNK A 6 2.074 -0.829 6.215 0.00 0.00 +0.152 C BRANCH 43 44 ATOM 44 C UNK A 6 2.112 -0.830 7.709 0.00 0.00 +0.307 C ATOM 45 O UNK A 6 2.176 0.182 8.396 0.00 0.00 -0.251 OA BRANCH 44 46 ATOM 46 O UNK A 6 2.187 -2.068 8.228 0.00 0.00 -0.481 OA ATOM 47 H UNK A 6 2.651 -1.954 9.092 0.00 0.00 +0.295 HD ENDBRANCH 44 46 ENDBRANCH 43 44 ENDBRANCH 16 43 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 48 ATOM 48 C UNK A 6 2.817 3.064 2.982 0.00 0.00 +0.187 C BRANCH 48 49 ATOM 49 O UNK A 6 1.594 2.636 3.604 0.00 0.00 -0.393 OA ATOM 50 H UNK A 6 1.136 3.456 3.876 0.00 0.00 +0.209 HD ENDBRANCH 48 49 ENDBRANCH 11 48 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 51 ATOM 51 CB SER A 5 2.546 -0.598 -1.115 0.00 0.00 +0.187 C BRANCH 51 52 ATOM 52 OG SER A 5 3.515 -0.135 -2.052 0.00 0.00 -0.393 OA ATOM 53 H SER A 5 3.025 0.362 -2.731 0.00 0.00 +0.209 HD ENDBRANCH 51 52 ENDBRANCH 6 51 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 55 ATOM 54 C ARG A 3 -0.877 2.380 -5.618 0.00 0.00 +0.234 C ATOM 55 N UNK A 4 -0.947 1.593 -4.483 0.00 0.00 -0.302 N ATOM 56 H UNK A 4 -1.400 0.686 -4.542 0.00 0.00 +0.150 HD ATOM 57 O ARG A 3 -0.379 3.503 -5.608 0.00 0.00 -0.274 OA BRANCH 54 58 ATOM 58 CA ARG A 3 -1.285 1.632 -6.914 0.00 0.00 +0.159 C BRANCH 58 60 ATOM 59 C GLN A 2 -3.673 1.156 -6.393 0.00 0.00 +0.234 C ATOM 60 N ARG A 3 -2.406 0.711 -6.700 0.00 0.00 -0.302 N ATOM 61 H ARG A 3 -2.263 -0.264 -6.941 0.00 0.00 +0.150 HD ATOM 62 O GLN A 2 -3.905 2.344 -6.155 0.00 0.00 -0.274 OA BRANCH 59 63 ATOM 63 CA GLN A 2 -4.777 0.083 -6.388 0.00 0.00 +0.159 C BRANCH 63 65 ATOM 64 C LEU A 1 -7.003 -0.046 -5.267 0.00 0.00 +0.234 C ATOM 65 N GLN A 2 -5.894 0.684 -5.665 0.00 0.00 -0.302 N ATOM 66 H GLN A 2 -6.048 1.670 -5.835 0.00 0.00 +0.150 HD ATOM 67 O LEU A 1 -6.967 -1.270 -5.175 0.00 0.00 -0.274 OA BRANCH 64 68 ATOM 68 CA LEU A 1 -8.184 0.824 -4.747 0.00 0.00 +0.159 C BRANCH 68 71 ATOM 69 C UNK A 0 -8.680 3.833 -7.017 0.00 0.00 +0.109 C ATOM 70 C UNK A 0 -8.414 2.390 -6.669 0.00 0.00 +0.211 C ATOM 71 N LEU A 1 -8.197 2.182 -5.319 0.00 0.00 -0.304 N ATOM 72 H LEU A 1 -8.552 2.895 -4.703 0.00 0.00 +0.149 HD ATOM 73 O UNK A 0 -8.360 1.510 -7.518 0.00 0.00 -0.276 OA ENDBRANCH 68 71 BRANCH 68 74 ATOM 74 CB LEU A 1 -9.540 0.102 -4.872 0.00 0.00 +0.034 C BRANCH 74 75 ATOM 75 CG LEU A 1 -10.735 0.851 -4.235 0.00 0.00 -0.015 C ATOM 76 CD2 LEU A 1 -10.595 0.965 -2.719 0.00 0.00 +0.007 C ATOM 77 CD1 LEU A 1 -12.051 0.149 -4.577 0.00 0.00 +0.007 C ENDBRANCH 74 75 ENDBRANCH 68 74 ENDBRANCH 64 68 ENDBRANCH 63 65 BRANCH 63 78 ATOM 78 CB GLN A 2 -5.185 -0.267 -7.833 0.00 0.00 +0.041 C BRANCH 78 79 ATOM 79 CG GLN A 2 -4.305 -1.340 -8.467 0.00 0.00 +0.098 C BRANCH 79 80 ATOM 80 CD GLN A 2 -4.918 -1.869 -9.745 0.00 0.00 +0.211 C ATOM 81 OE1 GLN A 2 -5.340 -3.014 -9.845 0.00 0.00 -0.276 OA ATOM 82 NE2 GLN A 2 -4.949 -0.998 -10.788 0.00 0.00 -0.329 N ATOM 83 HE21 GLN A 2 -4.512 -0.084 -10.765 0.00 0.00 +0.145 HD ATOM 84 HE22 GLN A 2 -5.414 -1.295 -11.641 0.00 0.00 +0.145 HD ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 63 78 ENDBRANCH 59 63 ENDBRANCH 58 60 BRANCH 58 85 ATOM 85 CB ARG A 3 -1.485 2.607 -8.089 0.00 0.00 +0.033 C BRANCH 85 86 ATOM 86 CG ARG A 3 -1.657 1.937 -9.456 0.00 0.00 +0.023 C BRANCH 86 87 ATOM 87 CD ARG A 3 -0.375 1.274 -9.959 0.00 0.00 +0.115 C BRANCH 87 88 ATOM 88 NE ARG A 3 -0.570 0.731 -11.298 0.00 0.00 -0.356 N ATOM 89 HE ARG A 3 -0.806 1.461 -11.966 0.00 0.00 +0.162 HD BRANCH 88 90 ATOM 90 CZ ARG A 3 -1.364 -0.331 -11.536 0.00 0.00 +0.188 C ATOM 91 NH1 ARG A 3 -2.266 -0.285 -12.444 0.00 0.00 -0.269 NA ATOM 92 HH1 ARG A 3 -2.767 -1.178 -12.481 0.00 0.00 +0.190 HD BRANCH 90 93 ATOM 93 NH2 ARG A 3 -1.159 -1.405 -10.751 0.00 0.00 -0.370 N ATOM 94 HH21 ARG A 3 -1.515 -2.277 -11.136 0.00 0.00 +0.159 HD ATOM 95 HH22 ARG A 3 -0.184 -1.508 -10.475 0.00 0.00 +0.159 HD ENDBRANCH 90 93 ENDBRANCH 88 90 ENDBRANCH 87 88 ENDBRANCH 86 87 ENDBRANCH 85 86 ENDBRANCH 58 85 ENDBRANCH 54 58 ENDBRANCH 1 55 BRANCH 1 96 ATOM 96 C UNK A 4 -1.895 2.587 -2.442 0.00 0.00 +0.067 C BRANCH 96 97 ATOM 97 C UNK A 4 -1.606 3.427 -1.214 0.00 0.00 -0.045 A ATOM 98 C UNK A 4 -1.583 4.821 -1.310 0.00 0.00 +0.007 A ATOM 99 C UNK A 4 -1.274 5.609 -0.198 0.00 0.00 +0.046 A ATOM 100 C UNK A 4 -0.961 4.995 1.011 0.00 0.00 +0.132 A ATOM 101 C UNK A 4 -0.994 3.606 1.123 0.00 0.00 +0.046 A ATOM 102 C UNK A 4 -1.331 2.825 0.017 0.00 0.00 +0.007 A BRANCH 100 103 ATOM 103 O UNK A 4 -0.603 5.672 2.145 0.00 0.00 -0.404 OA BRANCH 103 104 ATOM 104 P UNK A 4 -0.635 7.262 2.309 0.00 0.00 +0.528 P ATOM 105 O UNK A 4 -1.948 7.960 2.185 0.00 0.00 -0.216 OA BRANCH 104 106 ATOM 106 O UNK A 4 0.558 7.870 1.424 0.00 0.00 -0.293 OA ATOM 107 H UNK A 4 1.422 7.560 1.745 0.00 0.00 +0.223 HD ENDBRANCH 104 106 BRANCH 104 108 ATOM 108 O UNK A 4 -0.021 7.506 3.779 0.00 0.00 -0.293 OA ATOM 109 H UNK A 4 -0.619 8.099 4.293 0.00 0.00 +0.223 HD ENDBRANCH 104 108 ENDBRANCH 103 104 ENDBRANCH 100 103 ENDBRANCH 96 97 ENDBRANCH 1 96 TORSDOF 45