REMARK Name = BDB064408 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ARG A 8 -1.480 -7.300 -2.331 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C ARG A 8 -0.603 -8.229 -1.439 0.00 0.00 +0.234 C ATOM 3 N LYS A 9 0.716 -7.834 -1.326 0.00 0.00 -0.302 N ATOM 4 H LYS A 9 0.967 -6.961 -1.771 0.00 0.00 +0.150 HD ATOM 5 O ARG A 8 -1.034 -9.263 -0.935 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA LYS A 9 1.806 -8.800 -1.174 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 C LYS A 9 2.440 -8.908 0.230 0.00 0.00 +0.234 C ATOM 8 N UNK A 10 1.724 -8.391 1.282 0.00 0.00 -0.301 N ATOM 9 H UNK A 10 0.717 -8.279 1.151 0.00 0.00 +0.150 HD ATOM 10 O LYS A 9 3.561 -9.405 0.382 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 C UNK A 10 2.174 -8.574 2.663 0.00 0.00 +0.184 C BRANCH 11 12 ATOM 12 C UNK A 10 1.014 -8.148 3.586 0.00 0.00 +0.236 C ATOM 13 N UNK A 10 1.284 -8.286 4.933 0.00 0.00 -0.314 N ATOM 14 H UNK A 10 2.261 -8.452 5.191 0.00 0.00 +0.149 HD ATOM 15 O UNK A 10 -0.054 -7.726 3.147 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 C UNK A 10 0.356 -7.947 5.990 0.00 0.00 +0.104 C BRANCH 16 17 ATOM 17 C UNK A 10 0.765 -6.691 6.768 0.00 0.00 +0.019 C BRANCH 17 18 ATOM 18 C UNK A 10 0.332 -5.381 6.115 0.00 0.00 +0.002 C BRANCH 18 19 ATOM 19 C UNK A 10 1.251 -4.912 4.984 0.00 0.00 +0.009 C BRANCH 19 20 ATOM 20 C UNK A 10 2.107 -3.711 5.384 0.00 0.00 +0.096 C BRANCH 20 21 ATOM 21 C UNK A 10 3.114 -3.260 4.333 0.00 0.00 +0.213 C ATOM 22 N UNK A 10 2.735 -3.404 3.012 0.00 0.00 -0.315 N ATOM 23 H UNK A 10 2.010 -4.075 2.807 0.00 0.00 +0.149 HD ATOM 24 O UNK A 10 4.183 -2.741 4.655 0.00 0.00 -0.276 OA BRANCH 22 25 ATOM 25 C UNK A 10 3.662 -3.064 1.948 0.00 0.00 +0.104 C BRANCH 25 26 ATOM 26 C UNK A 10 3.068 -3.394 0.585 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C UNK A 10 1.961 -2.412 0.168 0.00 0.00 +0.002 C BRANCH 27 28 ATOM 28 C UNK A 10 0.863 -3.159 -0.591 0.00 0.00 +0.009 C BRANCH 28 29 ATOM 29 C UNK A 10 -0.185 -2.234 -1.197 0.00 0.00 +0.096 C BRANCH 29 30 ATOM 30 C UNK A 10 -1.295 -1.684 -0.314 0.00 0.00 +0.214 C ATOM 31 N UNK A 10 -1.712 -2.387 0.780 0.00 0.00 -0.304 N ATOM 32 H UNK A 10 -1.773 -3.394 0.594 0.00 0.00 +0.149 HD ATOM 33 O UNK A 10 -1.991 -0.750 -0.722 0.00 0.00 -0.276 OA BRANCH 31 34 ATOM 34 C UNK A 10 -1.122 -2.159 2.110 0.00 0.00 +0.159 C BRANCH 34 35 ATOM 35 C UNK A 10 -2.050 -2.774 3.171 0.00 0.00 +0.231 C ATOM 36 O UNK A 10 -1.633 -3.337 4.177 0.00 0.00 -0.274 OA ATOM 37 N UNK A 10 -3.388 -2.532 3.007 0.00 0.00 -0.328 N ATOM 38 H UNK A 10 -3.745 -2.254 2.096 0.00 0.00 +0.145 HD ATOM 39 H UNK A 10 -4.024 -2.962 3.665 0.00 0.00 +0.145 HD ENDBRANCH 34 35 BRANCH 34 40 ATOM 40 C UNK A 10 -0.893 -0.678 2.440 0.00 0.00 +0.032 C BRANCH 40 41 ATOM 41 C UNK A 10 0.162 -0.502 3.540 0.00 0.00 +0.004 C BRANCH 41 42 ATOM 42 C UNK A 10 0.353 0.981 3.887 0.00 0.00 +0.019 C BRANCH 42 43 ATOM 43 C UNK A 10 1.559 1.210 4.794 0.00 0.00 +0.104 C BRANCH 43 44 ATOM 44 N UNK A 10 2.770 1.380 4.010 0.00 0.00 -0.311 N ATOM 45 H UNK A 10 3.044 0.619 3.404 0.00 0.00 +0.149 HD ATOM 46 C UNK A 10 3.636 2.431 4.251 0.00 0.00 +0.244 C ATOM 47 O UNK A 10 3.470 3.252 5.150 0.00 0.00 -0.270 OA BRANCH 46 48 ATOM 48 C UNK A 10 4.804 2.598 3.334 0.00 0.00 +0.038 A ATOM 49 C UNK A 10 5.833 3.457 3.742 0.00 0.00 +0.028 A ATOM 50 C UNK A 10 6.900 3.755 2.873 0.00 0.00 +0.067 A ATOM 51 C UNK A 10 6.958 3.157 1.606 0.00 0.00 -0.003 A ATOM 52 C UNK A 10 5.948 2.248 1.228 0.00 0.00 +0.010 A ATOM 53 C UNK A 10 4.869 1.987 2.078 0.00 0.00 +0.014 A BRANCH 51 54 ATOM 54 C UNK A 10 8.048 3.410 0.627 0.00 0.00 +0.004 A ATOM 55 C UNK A 10 7.947 4.466 -0.446 0.00 0.00 +0.026 A ATOM 56 C UNK A 10 9.089 4.735 -1.223 0.00 0.00 +0.140 A ATOM 57 C UNK A 10 9.051 5.563 -2.337 0.00 0.00 +0.092 A ATOM 58 C UNK A 10 7.836 6.141 -2.679 0.00 0.00 +0.120 A ATOM 59 C UNK A 10 6.682 5.891 -1.939 0.00 0.00 +0.046 A ATOM 60 O UNK A 10 10.280 4.123 -0.920 0.00 0.00 -0.455 OA ATOM 61 C UNK A 10 10.118 2.814 -0.496 0.00 0.00 +0.140 A ATOM 62 C UNK A 10 10.677 1.786 -1.157 0.00 0.00 +0.097 A ATOM 63 C UNK A 10 10.356 0.407 -0.695 0.00 0.00 +0.183 A ATOM 64 O UNK A 10 10.521 -0.568 -1.419 0.00 0.00 -0.288 OA ATOM 65 C UNK A 10 9.804 0.269 0.686 0.00 0.00 +0.051 A ATOM 66 C UNK A 10 9.274 1.336 1.324 0.00 0.00 +0.016 A ATOM 67 C UNK A 10 6.733 5.056 -0.818 0.00 0.00 +0.016 A ATOM 68 C UNK A 10 9.126 2.587 0.559 0.00 0.00 +0.026 A BRANCH 58 69 ATOM 69 O UNK A 10 7.782 6.968 -3.770 0.00 0.00 -0.507 OA ATOM 70 H UNK A 10 7.078 7.622 -3.601 0.00 0.00 +0.292 HD ENDBRANCH 58 69 ENDBRANCH 51 54 BRANCH 50 71 ATOM 71 C UNK A 10 7.942 4.662 3.390 0.00 0.00 +0.337 C ATOM 72 O UNK A 10 8.403 4.602 4.514 0.00 0.00 -0.245 OA BRANCH 71 73 ATOM 73 O UNK A 10 8.352 5.577 2.500 0.00 0.00 -0.477 OA ATOM 74 H UNK A 10 9.085 6.048 2.945 0.00 0.00 +0.295 HD ENDBRANCH 71 73 ENDBRANCH 50 71 ENDBRANCH 46 48 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 34 40 ENDBRANCH 31 34 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 75 ATOM 75 C UNK A 10 3.424 -7.737 2.982 0.00 0.00 +0.187 C BRANCH 75 76 ATOM 76 O UNK A 10 3.918 -8.039 4.293 0.00 0.00 -0.393 OA ATOM 77 H UNK A 10 4.740 -7.522 4.404 0.00 0.00 +0.209 HD ENDBRANCH 75 76 ENDBRANCH 11 75 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 78 ATOM 78 CB LYS A 9 2.901 -8.556 -2.243 0.00 0.00 +0.032 C BRANCH 78 79 ATOM 79 CG LYS A 9 3.559 -7.159 -2.263 0.00 0.00 +0.003 C BRANCH 79 80 ATOM 80 CD LYS A 9 4.512 -6.810 -1.115 0.00 0.00 +0.015 C BRANCH 80 81 ATOM 81 CE LYS A 9 5.790 -7.654 -1.041 0.00 0.00 +0.077 C BRANCH 81 82 ATOM 82 NZ LYS A 9 6.644 -7.456 -2.205 0.00 0.00 -0.330 NA ATOM 83 HZ1 LYS A 9 6.199 -7.856 -3.030 0.00 0.00 +0.118 HD ATOM 84 HZ2 LYS A 9 7.510 -7.982 -2.077 0.00 0.00 +0.118 HD ENDBRANCH 81 82 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 6 78 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 86 ATOM 85 C LEU A 7 -2.240 -5.050 -1.523 0.00 0.00 +0.234 C ATOM 86 N ARG A 8 -1.236 -5.905 -1.912 0.00 0.00 -0.302 N ATOM 87 H ARG A 8 -0.596 -5.902 -1.122 0.00 0.00 +0.150 HD ATOM 88 O LEU A 7 -2.196 -4.699 -0.338 0.00 0.00 -0.274 OA BRANCH 85 89 ATOM 89 CA LEU A 7 -3.343 -4.562 -2.498 0.00 0.00 +0.159 C BRANCH 89 91 ATOM 90 C HIS A 6 -5.179 -3.155 -1.579 0.00 0.00 +0.234 C ATOM 91 N LEU A 7 -3.872 -3.280 -2.002 0.00 0.00 -0.302 N ATOM 92 H LEU A 7 -3.225 -2.535 -1.756 0.00 0.00 +0.150 HD ATOM 93 O HIS A 6 -5.958 -4.112 -1.602 0.00 0.00 -0.274 OA BRANCH 90 94 ATOM 94 CA HIS A 6 -5.700 -1.723 -1.267 0.00 0.00 +0.165 C BRANCH 94 96 ATOM 95 C VAL A 5 -5.617 0.060 0.409 0.00 0.00 +0.234 C ATOM 96 N HIS A 6 -4.922 -0.915 -0.319 0.00 0.00 -0.302 N ATOM 97 H HIS A 6 -3.938 -0.698 -0.533 0.00 0.00 +0.150 HD ATOM 98 O VAL A 5 -6.844 0.054 0.481 0.00 0.00 -0.274 OA BRANCH 95 99 ATOM 99 CA VAL A 5 -4.732 1.083 1.168 0.00 0.00 +0.161 C BRANCH 99 101 ATOM 100 C GLU A 4 -2.548 2.163 0.632 0.00 0.00 +0.234 C ATOM 101 N VAL A 5 -3.762 1.638 0.220 0.00 0.00 -0.302 N ATOM 102 H VAL A 5 -4.100 1.981 -0.668 0.00 0.00 +0.150 HD ATOM 103 O GLU A 4 -2.176 2.165 1.804 0.00 0.00 -0.274 OA BRANCH 100 104 ATOM 104 CA GLU A 4 -1.667 2.626 -0.544 0.00 0.00 +0.159 C BRANCH 104 106 ATOM 105 C THR A 3 -2.269 5.050 -0.859 0.00 0.00 +0.236 C ATOM 106 N GLU A 4 -2.231 3.744 -1.304 0.00 0.00 -0.302 N ATOM 107 H GLU A 4 -2.609 3.528 -2.224 0.00 0.00 +0.150 HD ATOM 108 O THR A 3 -2.149 5.361 0.333 0.00 0.00 -0.274 OA BRANCH 105 109 ATOM 109 CA THR A 3 -2.479 6.111 -1.954 0.00 0.00 +0.187 C BRANCH 109 111 ATOM 110 C ARG A 2 -3.692 8.271 -2.150 0.00 0.00 +0.234 C ATOM 111 N THR A 3 -3.195 7.240 -1.380 0.00 0.00 -0.300 N ATOM 112 H THR A 3 -3.338 7.300 -0.381 0.00 0.00 +0.150 HD ATOM 113 O ARG A 2 -3.945 8.102 -3.341 0.00 0.00 -0.274 OA BRANCH 110 114 ATOM 114 CA ARG A 2 -3.911 9.621 -1.403 0.00 0.00 +0.159 C BRANCH 114 116 ATOM 115 C ALA A 1 -2.326 9.348 0.535 0.00 0.00 +0.234 C ATOM 116 N ARG A 2 -3.614 9.497 0.028 0.00 0.00 -0.302 N ATOM 117 H ARG A 2 -4.396 9.300 0.660 0.00 0.00 +0.150 HD ATOM 118 O ALA A 1 -1.328 9.592 -0.131 0.00 0.00 -0.274 OA BRANCH 115 119 ATOM 119 CA ALA A 1 -2.277 8.845 1.992 0.00 0.00 +0.156 C ATOM 120 CB ALA A 1 -0.841 8.719 2.477 0.00 0.00 +0.038 C BRANCH 119 123 ATOM 121 C UNK A 0 -4.836 6.028 2.246 0.00 0.00 +0.109 C ATOM 122 C UNK A 0 -4.319 7.441 2.209 0.00 0.00 +0.211 C ATOM 123 N ALA A 1 -2.958 7.546 2.089 0.00 0.00 -0.304 N ATOM 124 H ALA A 1 -2.435 6.706 1.815 0.00 0.00 +0.149 HD ATOM 125 O UNK A 0 -5.062 8.421 2.198 0.00 0.00 -0.276 OA ENDBRANCH 119 123 ENDBRANCH 115 119 ENDBRANCH 114 116 BRANCH 114 126 ATOM 126 CB ARG A 2 -3.134 10.742 -2.136 0.00 0.00 +0.033 C BRANCH 126 127 ATOM 127 CG ARG A 2 -3.109 12.096 -1.414 0.00 0.00 +0.023 C BRANCH 127 128 ATOM 128 CD ARG A 2 -4.399 12.902 -1.584 0.00 0.00 +0.115 C BRANCH 128 129 ATOM 129 NE ARG A 2 -4.422 13.537 -2.886 0.00 0.00 -0.356 N ATOM 130 HE ARG A 2 -3.493 13.705 -3.272 0.00 0.00 +0.162 HD BRANCH 129 131 ATOM 131 CZ ARG A 2 -5.259 13.279 -3.909 0.00 0.00 +0.188 C ATOM 132 NH1 ARG A 2 -4.782 13.341 -5.106 0.00 0.00 -0.269 NA ATOM 133 HH1 ARG A 2 -5.528 13.055 -5.749 0.00 0.00 +0.190 HD BRANCH 131 134 ATOM 134 NH2 ARG A 2 -6.558 13.046 -3.636 0.00 0.00 -0.370 N ATOM 135 HH21 ARG A 2 -6.657 12.321 -2.939 0.00 0.00 +0.159 HD ATOM 136 HH22 ARG A 2 -6.944 13.866 -3.174 0.00 0.00 +0.159 HD ENDBRANCH 131 134 ENDBRANCH 129 131 ENDBRANCH 128 129 ENDBRANCH 127 128 ENDBRANCH 126 127 ENDBRANCH 114 126 ENDBRANCH 110 114 ENDBRANCH 109 111 BRANCH 109 137 ATOM 137 CB THR A 3 -1.125 6.581 -2.541 0.00 0.00 +0.141 C ATOM 138 CG2 THR A 3 0.021 6.759 -1.544 0.00 0.00 +0.040 C BRANCH 137 139 ATOM 139 OG1 THR A 3 -0.689 5.697 -3.575 0.00 0.00 -0.390 OA ATOM 140 HG1 THR A 3 -1.251 5.909 -4.355 0.00 0.00 +0.210 HD ENDBRANCH 137 139 ENDBRANCH 109 137 ENDBRANCH 105 109 ENDBRANCH 104 106 BRANCH 104 141 ATOM 141 CB GLU A 4 -0.205 2.837 -0.143 0.00 0.00 +0.043 C BRANCH 141 142 ATOM 142 CG GLU A 4 0.702 2.945 -1.366 0.00 0.00 +0.123 C BRANCH 142 143 ATOM 143 CD GLU A 4 2.143 2.946 -0.954 0.00 0.00 +0.305 C ATOM 144 OE1 GLU A 4 2.829 3.924 -0.711 0.00 0.00 -0.251 OA BRANCH 143 145 ATOM 145 OE2 GLU A 4 2.650 1.702 -0.869 0.00 0.00 -0.481 OA ATOM 146 HE2 GLU A 4 3.592 1.824 -0.632 0.00 0.00 +0.295 HD ENDBRANCH 143 145 ENDBRANCH 142 143 ENDBRANCH 141 142 ENDBRANCH 104 141 ENDBRANCH 100 104 ENDBRANCH 99 101 BRANCH 99 147 ATOM 147 CB VAL A 5 -5.510 2.210 1.877 0.00 0.00 +0.012 C ATOM 148 CG2 VAL A 5 -6.375 1.684 3.025 0.00 0.00 +0.009 C ATOM 149 CG1 VAL A 5 -6.355 3.062 0.925 0.00 0.00 +0.009 C ENDBRANCH 99 147 ENDBRANCH 95 99 ENDBRANCH 94 96 BRANCH 94 150 ATOM 150 CB HIS A 6 -5.986 -1.009 -2.615 0.00 0.00 +0.086 C BRANCH 150 151 ATOM 151 CG HIS A 6 -5.496 0.406 -2.733 0.00 0.00 +0.038 A ATOM 152 ND1 HIS A 6 -6.325 1.488 -2.552 0.00 0.00 -0.348 N ATOM 153 HD1 HIS A 6 -7.304 1.456 -2.300 0.00 0.00 +0.166 HD ATOM 154 CE1 HIS A 6 -5.569 2.615 -2.729 0.00 0.00 +0.196 A ATOM 155 NE2 HIS A 6 -4.308 2.318 -2.947 0.00 0.00 -0.244 NA ATOM 156 CD2 HIS A 6 -4.264 0.946 -3.040 0.00 0.00 +0.133 A ENDBRANCH 150 151 ENDBRANCH 94 150 ENDBRANCH 90 94 ENDBRANCH 89 91 BRANCH 89 157 ATOM 157 CB LEU A 7 -2.816 -4.410 -3.931 0.00 0.00 +0.034 C BRANCH 157 158 ATOM 158 CG LEU A 7 -3.786 -3.759 -4.939 0.00 0.00 -0.015 C ATOM 159 CD2 LEU A 7 -3.406 -2.299 -5.184 0.00 0.00 +0.007 C ATOM 160 CD1 LEU A 7 -3.750 -4.509 -6.274 0.00 0.00 +0.007 C ENDBRANCH 157 158 ENDBRANCH 89 157 ENDBRANCH 85 89 ENDBRANCH 1 86 BRANCH 1 161 ATOM 161 CB ARG A 8 -1.143 -7.616 -3.804 0.00 0.00 +0.033 C BRANCH 161 162 ATOM 162 CG ARG A 8 -0.053 -6.731 -4.432 0.00 0.00 +0.023 C BRANCH 162 163 ATOM 163 CD ARG A 8 0.399 -7.257 -5.803 0.00 0.00 +0.115 C BRANCH 163 164 ATOM 164 NE ARG A 8 0.878 -6.163 -6.636 0.00 0.00 -0.356 N ATOM 165 HE ARG A 8 0.122 -5.594 -7.006 0.00 0.00 +0.162 HD BRANCH 164 166 ATOM 166 CZ ARG A 8 1.977 -5.445 -6.317 0.00 0.00 +0.188 C ATOM 167 NH1 ARG A 8 2.831 -5.744 -5.405 0.00 0.00 -0.269 NA ATOM 168 HH1 ARG A 8 3.541 -5.019 -5.329 0.00 0.00 +0.190 HD BRANCH 166 169 ATOM 169 NH2 ARG A 8 2.087 -4.362 -7.115 0.00 0.00 -0.370 N ATOM 170 HH21 ARG A 8 1.844 -4.574 -8.081 0.00 0.00 +0.159 HD ATOM 171 HH22 ARG A 8 2.980 -3.884 -7.082 0.00 0.00 +0.159 HD ENDBRANCH 166 169 ENDBRANCH 164 166 ENDBRANCH 163 164 ENDBRANCH 162 163 ENDBRANCH 161 162 ENDBRANCH 1 161 TORSDOF 74