REMARK Name = BDB049019 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 10 -7.594 0.676 -1.086 0.00 0.00 +0.159 C ATOM 2 C LEU A 10 -9.123 0.830 -0.916 0.00 0.00 +0.234 C ATOM 3 O LEU A 10 -9.893 -0.131 -0.942 0.00 0.00 -0.274 OA ATOM 4 N ARG A 11 -9.660 2.049 -0.602 0.00 0.00 -0.302 N ATOM 5 H ARG A 11 -10.652 1.981 -0.421 0.00 0.00 +0.150 HD ATOM 6 CA ARG A 11 -9.062 3.385 -0.762 0.00 0.00 +0.159 C ATOM 7 C ARG A 11 -8.008 3.647 0.343 0.00 0.00 +0.234 C ATOM 8 O ARG A 11 -7.813 2.837 1.254 0.00 0.00 -0.274 OA ATOM 9 N UNK A 12 -7.197 4.733 0.318 0.00 0.00 -0.300 N ATOM 10 H UNK A 12 -6.474 4.668 1.031 0.00 0.00 +0.150 HD ATOM 11 C UNK A 12 -7.221 5.997 -0.441 0.00 0.00 +0.192 C ATOM 12 C UNK A 12 -6.243 7.006 0.199 0.00 0.00 +0.102 C ATOM 13 S UNK A 12 -4.563 6.286 0.339 0.00 0.00 -0.158 S ATOM 14 C UNK A 12 -3.825 7.457 1.526 0.00 0.00 +0.078 C ATOM 15 C UNK A 12 -2.463 6.931 1.964 0.00 0.00 +0.107 C ATOM 16 C UNK A 12 -1.415 7.113 0.879 0.00 0.00 +0.219 C ATOM 17 O UNK A 12 -1.357 8.176 0.256 0.00 0.00 -0.275 OA ATOM 18 N UNK A 12 -0.502 6.095 0.678 0.00 0.00 -0.269 N ATOM 19 C UNK A 12 0.630 6.329 -0.190 0.00 0.00 +0.221 C ATOM 20 N UNK A 12 1.791 5.737 0.424 0.00 0.00 -0.269 N ATOM 21 C UNK A 12 2.977 6.448 0.449 0.00 0.00 +0.219 C ATOM 22 C UNK A 12 4.002 6.051 1.491 0.00 0.00 +0.107 C ATOM 23 C UNK A 2 4.922 4.931 1.047 0.00 0.00 +0.078 C ATOM 24 S UNK A 2 5.968 4.469 2.463 0.00 0.00 -0.158 S ATOM 25 C UNK A 2 5.965 2.628 2.312 0.00 0.00 +0.100 C ATOM 26 C UNK A 2 6.760 2.003 1.141 0.00 0.00 +0.169 C ATOM 27 C UNK A 2 5.834 1.759 -0.065 0.00 0.00 +0.235 C ATOM 28 N PHE A 3 5.047 0.648 -0.178 0.00 0.00 -0.302 N ATOM 29 H PHE A 3 4.495 0.728 -1.022 0.00 0.00 +0.150 HD ATOM 30 CA PHE A 3 5.335 -0.757 0.200 0.00 0.00 +0.163 C ATOM 31 C PHE A 3 5.299 -1.064 1.718 0.00 0.00 +0.234 C ATOM 32 N ARG A 4 5.167 -2.336 2.186 0.00 0.00 -0.302 N ATOM 33 H ARG A 4 5.114 -2.381 3.204 0.00 0.00 +0.150 HD ATOM 34 CA ARG A 4 5.118 -3.628 1.501 0.00 0.00 +0.159 C ATOM 35 C ARG A 4 4.117 -4.531 2.250 0.00 0.00 +0.234 C ATOM 36 N LEU A 5 3.259 -5.329 1.549 0.00 0.00 -0.302 N ATOM 37 H LEU A 5 2.698 -5.900 2.184 0.00 0.00 +0.150 HD ATOM 38 CA LEU A 5 2.541 -4.994 0.310 0.00 0.00 +0.159 C ATOM 39 C LEU A 5 1.106 -5.572 0.427 0.00 0.00 +0.237 C ATOM 40 N PRO A 6 0.149 -5.204 -0.490 0.00 0.00 -0.288 N ATOM 41 CA PRO A 6 0.137 -4.084 -1.433 0.00 0.00 +0.162 C ATOM 42 C PRO A 6 -0.931 -2.972 -1.191 0.00 0.00 +0.234 C ATOM 43 N UNK A 7 -1.466 -2.704 0.034 0.00 0.00 -0.302 N ATOM 44 H UNK A 7 -2.227 -2.021 -0.053 0.00 0.00 +0.150 HD ATOM 45 C UNK A 7 -0.816 -2.713 1.342 0.00 0.00 +0.169 C ATOM 46 C UNK A 7 0.040 -1.435 1.584 0.00 0.00 +0.100 C ATOM 47 S UNK A 7 1.368 -1.124 0.354 0.00 0.00 -0.158 S ATOM 48 C UNK A 7 0.599 0.248 -0.590 0.00 0.00 +0.078 C ATOM 49 C UNK A 7 1.107 1.617 -0.126 0.00 0.00 +0.107 C ATOM 50 C UNK A 7 0.028 2.494 0.497 0.00 0.00 +0.219 C ATOM 51 N UNK A 7 0.331 3.844 0.634 0.00 0.00 -0.269 N ATOM 52 O UNK A 7 -1.060 2.035 0.841 0.00 0.00 -0.275 OA ATOM 53 C UNK A 7 -1.767 -2.822 2.568 0.00 0.00 +0.235 C ATOM 54 O UNK A 7 -1.365 -2.487 3.694 0.00 0.00 -0.274 OA ATOM 55 N ARG A 8 -2.982 -3.427 2.561 0.00 0.00 -0.302 N ATOM 56 H ARG A 8 -3.430 -3.311 3.464 0.00 0.00 +0.150 HD ATOM 57 CA ARG A 8 -3.775 -4.079 1.521 0.00 0.00 +0.159 C ATOM 58 C ARG A 8 -4.646 -3.031 0.779 0.00 0.00 +0.234 C ATOM 59 O ARG A 8 -4.130 -2.185 0.048 0.00 0.00 -0.274 OA ATOM 60 N GLN A 9 -6.004 -3.079 1.025 0.00 0.00 -0.302 N ATOM 61 H GLN A 9 -6.264 -3.230 1.991 0.00 0.00 +0.150 HD ATOM 62 CA GLN A 9 -6.917 -2.220 0.262 0.00 0.00 +0.159 C ATOM 63 C GLN A 9 -6.915 -0.836 0.941 0.00 0.00 +0.234 C ATOM 64 O GLN A 9 -6.773 -0.764 2.171 0.00 0.00 -0.274 OA ATOM 65 O PRO A 6 -1.295 -2.258 -2.133 0.00 0.00 -0.274 OA ATOM 66 CB PRO A 6 -0.243 -4.816 -2.729 0.00 0.00 +0.033 C ATOM 67 CG PRO A 6 -1.327 -5.786 -2.251 0.00 0.00 +0.021 C ATOM 68 CD PRO A 6 -0.873 -6.171 -0.845 0.00 0.00 +0.109 C ATOM 69 O LEU A 5 0.842 -6.399 1.307 0.00 0.00 -0.274 OA ATOM 70 O ARG A 4 4.135 -4.616 3.481 0.00 0.00 -0.274 OA ATOM 71 O PHE A 3 5.317 -0.162 2.558 0.00 0.00 -0.274 OA ATOM 72 O UNK A 2 5.680 2.625 -0.937 0.00 0.00 -0.274 OA ATOM 73 O UNK A 12 3.177 7.420 -0.278 0.00 0.00 -0.275 OA ATOM 74 C UNK A 7 1.681 4.341 0.754 0.00 0.00 +0.221 C ATOM 75 C UNK A 12 -0.694 4.732 1.128 0.00 0.00 +0.221 C ATOM 76 N LEU A 10 -7.074 0.326 0.254 0.00 0.00 -0.302 N ATOM 77 H LEU A 10 -7.125 1.106 0.912 0.00 0.00 +0.150 HD ENDROOT BRANCH 26 78 ATOM 78 N UNK A 2 7.885 2.832 0.711 0.00 0.00 -0.302 N ATOM 79 H UNK A 2 7.681 3.528 0.002 0.00 0.00 +0.150 HD ATOM 80 C ARG A 1 8.970 3.022 1.538 0.00 0.00 +0.230 C ATOM 81 O ARG A 1 9.186 2.336 2.534 0.00 0.00 -0.274 OA BRANCH 80 82 ATOM 82 CA ARG A 1 9.886 4.193 1.126 0.00 0.00 +0.138 C BRANCH 82 83 ATOM 83 N ARG A 1 10.476 4.796 2.341 0.00 0.00 -0.320 NA ATOM 84 H1 ARG A 1 10.885 4.027 2.884 0.00 0.00 +0.119 HD ATOM 85 H2 ARG A 1 9.704 5.110 2.934 0.00 0.00 +0.119 HD ENDBRANCH 82 83 BRANCH 82 86 ATOM 86 CB ARG A 1 10.976 3.695 0.172 0.00 0.00 +0.029 C BRANCH 86 87 ATOM 87 CG ARG A 1 12.011 4.751 -0.242 0.00 0.00 +0.023 C BRANCH 87 88 ATOM 88 CD ARG A 1 11.411 6.013 -0.864 0.00 0.00 +0.115 C BRANCH 88 89 ATOM 89 NE ARG A 1 10.701 5.674 -2.087 0.00 0.00 -0.356 N ATOM 90 HE ARG A 1 11.291 5.150 -2.730 0.00 0.00 +0.162 HD BRANCH 89 91 ATOM 91 CZ ARG A 1 9.937 6.552 -2.771 0.00 0.00 +0.188 C ATOM 92 NH1 ARG A 1 9.466 7.678 -2.393 0.00 0.00 -0.269 NA ATOM 93 HH1 ARG A 1 9.752 7.872 -1.433 0.00 0.00 +0.190 HD BRANCH 91 94 ATOM 94 NH2 ARG A 1 9.648 6.096 -4.005 0.00 0.00 -0.370 N ATOM 95 HH21 ARG A 1 8.982 6.738 -4.429 0.00 0.00 +0.159 HD ATOM 96 HH22 ARG A 1 9.244 5.170 -3.974 0.00 0.00 +0.159 HD ENDBRANCH 91 94 ENDBRANCH 89 91 ENDBRANCH 88 89 ENDBRANCH 87 88 ENDBRANCH 86 87 ENDBRANCH 82 86 ENDBRANCH 80 82 ENDBRANCH 26 78 BRANCH 11 97 ATOM 97 C UNK A 12 -6.902 5.828 -1.929 0.00 0.00 +0.326 C ATOM 98 O UNK A 12 -6.731 4.779 -2.527 0.00 0.00 -0.249 OA BRANCH 97 99 ATOM 99 O UNK A 12 -6.919 6.996 -2.607 0.00 0.00 -0.479 OA ATOM 100 H UNK A 12 -6.680 6.749 -3.526 0.00 0.00 +0.295 HD ENDBRANCH 97 99 ENDBRANCH 11 97 BRANCH 1 101 ATOM 101 CB LEU A 10 -7.192 -0.261 -2.233 0.00 0.00 +0.034 C BRANCH 101 103 ATOM 102 CD1 LEU A 10 -6.184 1.418 -3.869 0.00 0.00 +0.007 C ATOM 103 CG LEU A 10 -7.233 0.325 -3.662 0.00 0.00 -0.015 C ATOM 104 CD2 LEU A 10 -8.615 0.819 -4.082 0.00 0.00 +0.007 C ENDBRANCH 101 103 ENDBRANCH 1 101 BRANCH 38 105 ATOM 105 CB LEU A 5 3.270 -5.489 -0.956 0.00 0.00 +0.034 C BRANCH 105 106 ATOM 106 CG LEU A 5 3.713 -6.972 -0.997 0.00 0.00 -0.015 C ATOM 107 CD2 LEU A 5 2.555 -7.956 -1.155 0.00 0.00 +0.007 C ATOM 108 CD1 LEU A 5 4.691 -7.177 -2.162 0.00 0.00 +0.007 C ENDBRANCH 105 106 ENDBRANCH 38 105 BRANCH 6 109 ATOM 109 CB ARG A 11 -10.185 4.430 -0.842 0.00 0.00 +0.033 C BRANCH 109 110 ATOM 110 CG ARG A 11 -10.777 4.820 0.515 0.00 0.00 +0.023 C BRANCH 110 111 ATOM 111 CD ARG A 11 -12.043 5.662 0.342 0.00 0.00 +0.115 C BRANCH 111 112 ATOM 112 NE ARG A 11 -12.440 6.256 1.607 0.00 0.00 -0.356 N ATOM 113 HE ARG A 11 -12.565 5.556 2.337 0.00 0.00 +0.162 HD BRANCH 112 114 ATOM 114 CZ ARG A 11 -11.821 7.327 2.152 0.00 0.00 +0.188 C ATOM 115 NH1 ARG A 11 -11.535 7.340 3.402 0.00 0.00 -0.269 NA ATOM 116 HH1 ARG A 11 -11.063 8.214 3.642 0.00 0.00 +0.190 HD BRANCH 114 117 ATOM 117 NH2 ARG A 11 -11.570 8.348 1.310 0.00 0.00 -0.370 N ATOM 118 HH21 ARG A 11 -12.309 8.433 0.621 0.00 0.00 +0.159 HD ATOM 119 HH22 ARG A 11 -11.430 9.235 1.777 0.00 0.00 +0.159 HD ENDBRANCH 114 117 ENDBRANCH 112 114 ENDBRANCH 111 112 ENDBRANCH 110 111 ENDBRANCH 109 110 ENDBRANCH 6 109 BRANCH 30 120 ATOM 120 CB PHE A 3 6.450 -1.389 -0.657 0.00 0.00 +0.067 C BRANCH 120 121 ATOM 121 CG PHE A 3 7.842 -0.815 -0.605 0.00 0.00 -0.045 A ATOM 122 CD2 PHE A 3 8.646 -0.954 0.531 0.00 0.00 +0.004 A ATOM 123 CE2 PHE A 3 9.958 -0.473 0.535 0.00 0.00 +0.000 A ATOM 124 CZ PHE A 3 10.486 0.132 -0.602 0.00 0.00 +0.000 A ATOM 125 CE1 PHE A 3 9.697 0.277 -1.740 0.00 0.00 +0.000 A ATOM 126 CD1 PHE A 3 8.383 -0.190 -1.739 0.00 0.00 +0.004 A ENDBRANCH 120 121 ENDBRANCH 30 120 BRANCH 57 127 ATOM 127 CB ARG A 8 -4.589 -5.241 2.139 0.00 0.00 +0.033 C BRANCH 127 128 ATOM 128 CG ARG A 8 -3.799 -6.557 2.235 0.00 0.00 +0.023 C BRANCH 128 129 ATOM 129 CD ARG A 8 -3.954 -7.417 0.977 0.00 0.00 +0.115 C BRANCH 129 130 ATOM 130 NE ARG A 8 -5.297 -7.954 0.892 0.00 0.00 -0.356 N ATOM 131 HE ARG A 8 -5.682 -8.295 1.764 0.00 0.00 +0.162 HD BRANCH 130 132 ATOM 132 CZ ARG A 8 -5.910 -8.390 -0.223 0.00 0.00 +0.188 C ATOM 133 NH1 ARG A 8 -5.593 -8.178 -1.446 0.00 0.00 -0.269 NA ATOM 134 HH1 ARG A 8 -4.752 -7.602 -1.491 0.00 0.00 +0.190 HD BRANCH 132 135 ATOM 135 NH2 ARG A 8 -7.034 -9.086 0.038 0.00 0.00 -0.370 N ATOM 136 HH21 ARG A 8 -6.893 -9.842 0.696 0.00 0.00 +0.159 HD ATOM 137 HH22 ARG A 8 -7.383 -9.477 -0.837 0.00 0.00 +0.159 HD ENDBRANCH 132 135 ENDBRANCH 130 132 ENDBRANCH 129 130 ENDBRANCH 128 129 ENDBRANCH 127 128 ENDBRANCH 57 127 BRANCH 62 138 ATOM 138 CB GLN A 9 -8.341 -2.799 0.262 0.00 0.00 +0.041 C BRANCH 138 139 ATOM 139 CG GLN A 9 -8.451 -4.308 0.029 0.00 0.00 +0.098 C BRANCH 139 140 ATOM 140 CD GLN A 9 -7.859 -4.778 -1.280 0.00 0.00 +0.211 C ATOM 141 OE1 GLN A 9 -7.380 -4.040 -2.136 0.00 0.00 -0.276 OA ATOM 142 NE2 GLN A 9 -7.907 -6.131 -1.455 0.00 0.00 -0.329 N ATOM 143 HE21 GLN A 9 -7.986 -6.759 -0.662 0.00 0.00 +0.145 HD ATOM 144 HE22 GLN A 9 -7.357 -6.509 -2.218 0.00 0.00 +0.145 HD ENDBRANCH 139 140 ENDBRANCH 138 139 ENDBRANCH 62 138 BRANCH 34 145 ATOM 145 CB ARG A 4 6.515 -4.277 1.576 0.00 0.00 +0.033 C BRANCH 145 146 ATOM 146 CG ARG A 4 6.687 -5.450 0.612 0.00 0.00 +0.023 C BRANCH 146 147 ATOM 147 CD ARG A 4 8.125 -5.960 0.541 0.00 0.00 +0.115 C BRANCH 147 148 ATOM 148 NE ARG A 4 8.957 -4.987 -0.138 0.00 0.00 -0.356 N ATOM 149 HE ARG A 4 9.178 -5.241 -1.097 0.00 0.00 +0.162 HD BRANCH 148 150 ATOM 150 CZ ARG A 4 9.960 -4.287 0.432 0.00 0.00 +0.188 C ATOM 151 NH1 ARG A 4 10.228 -4.120 1.671 0.00 0.00 -0.269 NA ATOM 152 HH1 ARG A 4 9.548 -4.612 2.249 0.00 0.00 +0.190 HD BRANCH 150 153 ATOM 153 NH2 ARG A 4 10.727 -3.685 -0.498 0.00 0.00 -0.370 N ATOM 154 HH21 ARG A 4 11.405 -3.098 -0.016 0.00 0.00 +0.159 HD ATOM 155 HH22 ARG A 4 10.176 -3.083 -1.103 0.00 0.00 +0.159 HD ENDBRANCH 150 153 ENDBRANCH 148 150 ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 145 146 ENDBRANCH 34 145 TORSDOF 38