REMARK Name = BDB056085 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA CYS A 15 4.511 -0.521 -0.340 0.00 0.00 +0.169 C ATOM 2 N CYS A 15 4.062 0.835 0.041 0.00 0.00 -0.302 N ATOM 3 H CYS A 15 4.180 1.515 -0.703 0.00 0.00 +0.150 HD ATOM 4 C ARG A 14 4.190 1.337 1.322 0.00 0.00 +0.234 C ATOM 5 O ARG A 14 4.160 0.617 2.313 0.00 0.00 -0.274 OA ATOM 6 CA ARG A 14 4.470 2.866 1.414 0.00 0.00 +0.159 C ATOM 7 N ARG A 14 4.088 3.580 0.187 0.00 0.00 -0.302 N ATOM 8 H ARG A 14 4.650 3.408 -0.638 0.00 0.00 +0.150 HD ATOM 9 C TRP A 13 2.905 4.192 -0.102 0.00 0.00 +0.234 C ATOM 10 O TRP A 13 2.649 4.418 -1.286 0.00 0.00 -0.274 OA ATOM 11 CA TRP A 13 1.976 4.665 1.036 0.00 0.00 +0.163 C ATOM 12 N TRP A 13 0.697 5.084 0.446 0.00 0.00 -0.302 N ATOM 13 H TRP A 13 0.765 5.477 -0.488 0.00 0.00 +0.150 HD ATOM 14 C TYR A 12 -0.413 5.351 1.223 0.00 0.00 +0.234 C ATOM 15 O TYR A 12 -0.369 5.382 2.446 0.00 0.00 -0.274 OA ATOM 16 CA TYR A 12 -1.700 5.683 0.434 0.00 0.00 +0.163 C ATOM 17 N TYR A 12 -1.819 4.660 -0.640 0.00 0.00 -0.302 N ATOM 18 H TYR A 12 -0.913 4.369 -1.002 0.00 0.00 +0.150 HD ATOM 19 C CYS A 11 -2.588 3.530 -0.516 0.00 0.00 +0.235 C ATOM 20 O CYS A 11 -2.072 2.437 -0.756 0.00 0.00 -0.274 OA ATOM 21 CA CYS A 11 -4.055 3.639 -0.055 0.00 0.00 +0.169 C ATOM 22 N CYS A 11 -4.642 4.898 -0.541 0.00 0.00 -0.302 N ATOM 23 H CYS A 11 -3.966 5.591 -0.854 0.00 0.00 +0.150 HD ATOM 24 C LEU A 10 -5.765 5.009 -1.314 0.00 0.00 +0.234 C ATOM 25 CA LEU A 10 -6.945 4.024 -1.141 0.00 0.00 +0.159 C ATOM 26 N LEU A 10 -7.743 4.048 -2.369 0.00 0.00 -0.302 N ATOM 27 H LEU A 10 -7.452 4.773 -3.023 0.00 0.00 +0.150 HD ATOM 28 C PHE A 9 -8.216 2.946 -3.032 0.00 0.00 +0.234 C ATOM 29 CA PHE A 9 -8.776 1.758 -2.222 0.00 0.00 +0.163 C ATOM 30 N PHE A 9 -8.631 0.535 -3.019 0.00 0.00 -0.302 N ATOM 31 H PHE A 9 -8.712 0.743 -4.016 0.00 0.00 +0.150 HD ATOM 32 C THR A 8 -7.777 -0.509 -2.830 0.00 0.00 +0.236 C ATOM 33 CA THR A 8 -7.599 -1.231 -1.468 0.00 0.00 +0.187 C ATOM 34 N THR A 8 -8.724 -2.153 -1.273 0.00 0.00 -0.300 N ATOM 35 H THR A 8 -9.649 -1.731 -1.267 0.00 0.00 +0.150 HD ATOM 36 C GLU A 7 -8.792 -3.512 -1.216 0.00 0.00 +0.234 C ATOM 37 CA GLU A 7 -7.561 -4.434 -1.438 0.00 0.00 +0.159 C ATOM 38 N GLU A 7 -6.467 -4.164 -0.492 0.00 0.00 -0.302 N ATOM 39 H GLU A 7 -5.849 -3.400 -0.734 0.00 0.00 +0.150 HD ATOM 40 C PRO A 6 -6.156 -4.688 0.720 0.00 0.00 +0.234 C ATOM 41 CA PRO A 6 -6.866 -5.897 1.361 0.00 0.00 +0.162 C ATOM 42 N PRO A 6 -6.944 -7.060 0.476 0.00 0.00 -0.288 N ATOM 43 C ALA A 5 -5.896 -7.798 -0.031 0.00 0.00 +0.236 C ATOM 44 CA ALA A 5 -4.472 -7.575 0.546 0.00 0.00 +0.156 C ATOM 45 N ALA A 5 -3.515 -7.993 -0.481 0.00 0.00 -0.303 N ATOM 46 H ALA A 5 -3.880 -8.715 -1.103 0.00 0.00 +0.149 HD ATOM 47 C LYS A 4 -2.599 -7.211 -1.127 0.00 0.00 +0.234 C ATOM 48 CA LYS A 4 -1.883 -6.046 -0.386 0.00 0.00 +0.159 C ATOM 49 N LYS A 4 -1.155 -5.287 -1.419 0.00 0.00 -0.302 N ATOM 50 H LYS A 4 -1.399 -5.587 -2.361 0.00 0.00 +0.150 HD ATOM 51 C CYS A 3 -0.845 -3.956 -1.403 0.00 0.00 +0.235 C ATOM 52 CA CYS A 3 -0.331 -3.309 -0.110 0.00 0.00 +0.169 C ATOM 53 N CYS A 3 -0.453 -1.844 -0.205 0.00 0.00 -0.302 N ATOM 54 H CYS A 3 0.083 -1.504 -0.997 0.00 0.00 +0.150 HD ATOM 55 C ASN A 2 -0.348 -0.979 0.848 0.00 0.00 +0.234 C ATOM 56 CA ASN A 2 -1.330 -1.068 2.048 0.00 0.00 +0.168 C ATOM 57 N ASN A 2 -1.251 0.271 2.663 0.00 0.00 -0.302 N ATOM 58 H ASN A 2 -0.607 0.908 2.191 0.00 0.00 +0.150 HD ATOM 59 C CYS A 1 -2.095 0.950 3.489 0.00 0.00 +0.231 C ATOM 60 CA CYS A 1 -3.229 0.260 4.277 0.00 0.00 +0.148 C ATOM 61 CB CYS A 1 -4.207 1.316 4.843 0.00 0.00 +0.109 C ATOM 62 SG CYS A 1 -5.569 1.959 3.767 0.00 0.00 -0.091 S ATOM 63 SG CYS A 11 -4.923 1.836 1.824 0.00 0.00 -0.091 S ATOM 64 O CYS A 1 -1.835 2.145 3.665 0.00 0.00 -0.274 OA ATOM 65 O ASN A 2 0.474 -0.062 0.767 0.00 0.00 -0.274 OA ATOM 66 CB CYS A 3 1.134 -3.727 0.135 0.00 0.00 +0.112 C ATOM 67 SG CYS A 3 2.312 -3.208 -1.179 0.00 0.00 -0.091 S ATOM 68 SG CYS A 15 4.106 -3.293 -0.160 0.00 0.00 -0.091 S ATOM 69 O CYS A 3 -0.898 -3.334 -2.467 0.00 0.00 -0.274 OA ATOM 70 O LYS A 4 -2.336 -7.472 -2.305 0.00 0.00 -0.274 OA ATOM 71 CB ALA A 5 -4.314 -8.436 1.800 0.00 0.00 +0.038 C ATOM 72 O ALA A 5 -6.094 -8.675 -0.881 0.00 0.00 -0.274 OA ATOM 73 CD PRO A 6 -8.310 -7.564 0.377 0.00 0.00 +0.109 C ATOM 74 CG PRO A 6 -9.031 -6.931 1.557 0.00 0.00 +0.021 C ATOM 75 CB PRO A 6 -8.313 -5.600 1.760 0.00 0.00 +0.033 C ATOM 76 O PRO A 6 -5.230 -4.139 1.333 0.00 0.00 -0.274 OA ATOM 77 O GLU A 7 -9.896 -4.002 -0.963 0.00 0.00 -0.274 OA ATOM 78 O THR A 8 -7.283 -1.016 -3.846 0.00 0.00 -0.274 OA ATOM 79 O PHE A 9 -8.219 2.953 -4.266 0.00 0.00 -0.274 OA ATOM 80 O LEU A 10 -5.830 5.954 -2.104 0.00 0.00 -0.274 OA ATOM 81 CB CYS A 11 -4.173 3.469 1.470 0.00 0.00 +0.112 C ATOM 82 CB CYS A 15 4.171 -1.641 0.645 0.00 0.00 +0.112 C ENDROOT BRANCH 1 85 ATOM 83 N LEU A 16 6.624 -1.405 -1.317 0.00 0.00 -0.302 N ATOM 84 H LEU A 16 6.153 -2.301 -1.433 0.00 0.00 +0.150 HD ATOM 85 C CYS A 15 6.032 -0.401 -0.587 0.00 0.00 +0.235 C ATOM 86 O CYS A 15 6.672 0.582 -0.204 0.00 0.00 -0.274 OA BRANCH 83 87 ATOM 87 CA LEU A 16 8.026 -1.324 -1.726 0.00 0.00 +0.159 C BRANCH 87 88 ATOM 88 C LEU A 16 8.716 -2.695 -1.525 0.00 0.00 +0.234 C ATOM 89 N GLN A 17 10.088 -2.637 -1.637 0.00 0.00 -0.302 N ATOM 90 H GLN A 17 10.514 -1.719 -1.506 0.00 0.00 +0.150 HD ATOM 91 O LEU A 16 8.094 -3.733 -1.314 0.00 0.00 -0.274 OA BRANCH 89 92 ATOM 92 CA GLN A 17 10.959 -3.756 -1.319 0.00 0.00 +0.159 C BRANCH 92 93 ATOM 93 C GLN A 17 12.289 -3.584 -2.086 0.00 0.00 +0.234 C ATOM 94 N HIS A 18 13.115 -4.688 -2.100 0.00 0.00 -0.301 N ATOM 95 H HIS A 18 12.963 -5.405 -1.393 0.00 0.00 +0.150 HD ATOM 96 O GLN A 17 12.640 -2.527 -2.618 0.00 0.00 -0.274 OA BRANCH 94 97 ATOM 97 CA HIS A 18 14.492 -4.523 -2.568 0.00 0.00 +0.187 C BRANCH 97 98 ATOM 98 C HIS A 18 15.278 -3.812 -1.457 0.00 0.00 +0.326 C ATOM 99 O HIS A 18 15.618 -4.331 -0.398 0.00 0.00 -0.249 OA BRANCH 98 100 ATOM 100 OXT HIS A 18 15.449 -2.479 -1.669 0.00 0.00 -0.479 OA ATOM 101 HXT HIS A 18 14.953 -2.120 -2.445 0.00 0.00 +0.295 HD ENDBRANCH 98 100 ENDBRANCH 97 98 BRANCH 97 102 ATOM 102 CB HIS A 18 15.179 -5.832 -2.994 0.00 0.00 +0.088 C BRANCH 102 103 ATOM 103 CG HIS A 18 14.811 -7.042 -2.198 0.00 0.00 +0.038 A ATOM 104 ND1 HIS A 18 14.072 -8.079 -2.717 0.00 0.00 -0.348 N ATOM 105 HD1 HIS A 18 13.693 -8.146 -3.656 0.00 0.00 +0.166 HD ATOM 106 CE1 HIS A 18 13.933 -9.022 -1.736 0.00 0.00 +0.196 A ATOM 107 NE2 HIS A 18 14.520 -8.645 -0.624 0.00 0.00 -0.244 NA ATOM 108 CD2 HIS A 18 15.094 -7.430 -0.906 0.00 0.00 +0.133 A ENDBRANCH 102 103 ENDBRANCH 97 102 ENDBRANCH 94 97 ENDBRANCH 92 93 BRANCH 92 109 ATOM 109 CB GLN A 17 11.169 -3.898 0.201 0.00 0.00 +0.041 C BRANCH 109 110 ATOM 110 CG GLN A 17 12.213 -2.979 0.855 0.00 0.00 +0.098 C BRANCH 110 111 ATOM 111 CD GLN A 17 11.914 -1.490 0.808 0.00 0.00 +0.211 C ATOM 112 OE1 GLN A 17 11.075 -0.959 0.091 0.00 0.00 -0.276 OA ATOM 113 NE2 GLN A 17 12.718 -0.739 1.615 0.00 0.00 -0.329 N ATOM 114 HE21 GLN A 17 12.627 0.266 1.544 0.00 0.00 +0.145 HD ATOM 115 HE22 GLN A 17 13.563 -1.115 2.022 0.00 0.00 +0.145 HD ENDBRANCH 110 111 ENDBRANCH 109 110 ENDBRANCH 92 109 ENDBRANCH 89 92 ENDBRANCH 87 88 BRANCH 87 116 ATOM 116 CB LEU A 16 8.144 -0.900 -3.202 0.00 0.00 +0.034 C BRANCH 116 118 ATOM 117 CD1 LEU A 16 7.642 0.730 -5.047 0.00 0.00 +0.007 C ATOM 118 CG LEU A 16 7.631 0.516 -3.533 0.00 0.00 -0.015 C ATOM 119 CD2 LEU A 16 8.469 1.606 -2.857 0.00 0.00 +0.007 C ENDBRANCH 116 118 ENDBRANCH 87 116 ENDBRANCH 83 87 ENDBRANCH 1 85 BRANCH 60 120 ATOM 120 N CYS A 1 -3.917 -0.810 3.522 0.00 0.00 -0.319 NA ATOM 121 H1 CYS A 1 -4.509 -0.347 2.824 0.00 0.00 +0.119 HD ATOM 122 H2 CYS A 1 -4.562 -1.297 4.140 0.00 0.00 +0.119 HD ENDBRANCH 60 120 BRANCH 33 123 ATOM 123 CB THR A 8 -7.374 -0.387 -0.198 0.00 0.00 +0.141 C ATOM 124 CG2 THR A 8 -6.748 -1.192 0.940 0.00 0.00 +0.040 C BRANCH 123 125 ATOM 125 OG1 THR A 8 -8.604 0.144 0.311 0.00 0.00 -0.390 OA ATOM 126 HG1 THR A 8 -9.126 -0.608 0.653 0.00 0.00 +0.210 HD ENDBRANCH 123 125 ENDBRANCH 33 123 BRANCH 37 127 ATOM 127 CB GLU A 7 -7.040 -4.396 -2.892 0.00 0.00 +0.043 C BRANCH 127 128 ATOM 128 CG GLU A 7 -7.397 -5.660 -3.691 0.00 0.00 +0.123 C BRANCH 128 129 ATOM 129 CD GLU A 7 -8.824 -5.667 -4.167 0.00 0.00 +0.305 C ATOM 130 OE1 GLU A 7 -9.627 -4.765 -3.953 0.00 0.00 -0.251 OA BRANCH 129 131 ATOM 131 OE2 GLU A 7 -9.140 -6.778 -4.869 0.00 0.00 -0.481 OA ATOM 132 HE2 GLU A 7 -8.390 -7.396 -4.982 0.00 0.00 +0.295 HD ENDBRANCH 129 131 ENDBRANCH 128 129 ENDBRANCH 127 128 ENDBRANCH 37 127 BRANCH 29 133 ATOM 133 CB PHE A 9 -10.229 2.012 -1.779 0.00 0.00 +0.067 C BRANCH 133 134 ATOM 134 CG PHE A 9 -11.233 2.214 -2.890 0.00 0.00 -0.045 A ATOM 135 CD2 PHE A 9 -11.480 3.494 -3.412 0.00 0.00 +0.004 A ATOM 136 CE2 PHE A 9 -12.409 3.677 -4.439 0.00 0.00 +0.000 A ATOM 137 CZ PHE A 9 -13.097 2.583 -4.960 0.00 0.00 +0.000 A ATOM 138 CE1 PHE A 9 -12.863 1.308 -4.450 0.00 0.00 +0.000 A ATOM 139 CD1 PHE A 9 -11.937 1.123 -3.422 0.00 0.00 +0.004 A ENDBRANCH 133 134 ENDBRANCH 29 133 BRANCH 25 140 ATOM 140 CB LEU A 10 -7.756 4.337 0.129 0.00 0.00 +0.034 C BRANCH 140 141 ATOM 141 CG LEU A 10 -8.317 5.771 0.273 0.00 0.00 -0.015 C ATOM 142 CD2 LEU A 10 -8.893 5.943 1.684 0.00 0.00 +0.007 C ATOM 143 CD1 LEU A 10 -9.394 6.112 -0.755 0.00 0.00 +0.007 C ENDBRANCH 140 141 ENDBRANCH 25 140 BRANCH 11 144 ATOM 144 CB TRP A 13 2.642 5.754 1.896 0.00 0.00 +0.069 C BRANCH 144 145 ATOM 145 CG TRP A 13 2.901 7.082 1.242 0.00 0.00 -0.020 A ATOM 146 CD2 TRP A 13 2.623 8.365 1.827 0.00 0.00 +0.003 A ATOM 147 CE2 TRP A 13 3.066 9.341 0.937 0.00 0.00 +0.047 A ATOM 148 CZ2 TRP A 13 2.957 10.708 1.199 0.00 0.00 +0.026 A ATOM 149 CH2 TRP A 13 2.388 11.095 2.419 0.00 0.00 +0.002 A ATOM 150 CZ3 TRP A 13 1.942 10.143 3.332 0.00 0.00 +0.001 A ATOM 151 NE1 TRP A 13 3.595 8.691 -0.155 0.00 0.00 -0.360 N ATOM 152 HE1 TRP A 13 4.074 9.154 -0.910 0.00 0.00 +0.165 HD ATOM 153 CE3 TRP A 13 2.052 8.776 3.049 0.00 0.00 +0.010 A ATOM 154 CD1 TRP A 13 3.527 7.332 0.034 0.00 0.00 +0.087 A ENDBRANCH 144 145 ENDBRANCH 11 144 BRANCH 48 155 ATOM 155 CB LYS A 4 -0.996 -6.564 0.754 0.00 0.00 +0.032 C BRANCH 155 156 ATOM 156 CG LYS A 4 0.160 -7.467 0.297 0.00 0.00 +0.003 C BRANCH 156 157 ATOM 157 CD LYS A 4 1.157 -7.774 1.427 0.00 0.00 +0.015 C BRANCH 157 158 ATOM 158 CE LYS A 4 0.585 -8.517 2.637 0.00 0.00 +0.077 C BRANCH 158 159 ATOM 159 NZ LYS A 4 -0.024 -9.786 2.254 0.00 0.00 -0.330 NA ATOM 160 HZ1 LYS A 4 -0.257 -10.313 3.095 0.00 0.00 +0.118 HD ATOM 161 HZ2 LYS A 4 0.666 -10.345 1.754 0.00 0.00 +0.118 HD ENDBRANCH 158 159 ENDBRANCH 157 158 ENDBRANCH 156 157 ENDBRANCH 155 156 ENDBRANCH 48 155 BRANCH 56 162 ATOM 162 CB ASN A 2 -1.068 -2.174 3.059 0.00 0.00 +0.127 C BRANCH 162 163 ATOM 163 CG ASN A 2 0.380 -2.480 3.340 0.00 0.00 +0.213 C ATOM 164 OD1 ASN A 2 0.820 -3.622 3.304 0.00 0.00 -0.276 OA ATOM 165 ND2 ASN A 2 1.174 -1.431 3.671 0.00 0.00 -0.329 N ATOM 166 HD21 ASN A 2 0.901 -0.467 3.530 0.00 0.00 +0.145 HD ATOM 167 HD22 ASN A 2 2.162 -1.596 3.834 0.00 0.00 +0.145 HD ENDBRANCH 162 163 ENDBRANCH 56 162 BRANCH 16 168 ATOM 168 CB TYR A 12 -1.664 7.097 -0.165 0.00 0.00 +0.067 C BRANCH 168 169 ATOM 169 CG TYR A 12 -2.180 8.151 0.792 0.00 0.00 -0.045 A ATOM 170 CD2 TYR A 12 -3.552 8.256 1.081 0.00 0.00 +0.007 A ATOM 171 CE2 TYR A 12 -4.019 9.233 1.971 0.00 0.00 +0.045 A ATOM 172 CZ TYR A 12 -3.117 10.112 2.555 0.00 0.00 +0.117 A ATOM 173 CE1 TYR A 12 -1.761 10.032 2.269 0.00 0.00 +0.045 A ATOM 174 CD1 TYR A 12 -1.295 9.053 1.389 0.00 0.00 +0.007 A BRANCH 172 175 ATOM 175 OH TYR A 12 -3.535 11.084 3.420 0.00 0.00 -0.507 OA ATOM 176 HH TYR A 12 -4.458 10.916 3.657 0.00 0.00 +0.292 HD ENDBRANCH 172 175 ENDBRANCH 168 169 ENDBRANCH 16 168 BRANCH 6 177 ATOM 177 CB ARG A 14 5.968 3.087 1.692 0.00 0.00 +0.033 C BRANCH 177 178 ATOM 178 CG ARG A 14 6.294 4.529 2.087 0.00 0.00 +0.023 C BRANCH 178 179 ATOM 179 CD ARG A 14 7.802 4.750 2.224 0.00 0.00 +0.115 C BRANCH 179 180 ATOM 180 NE ARG A 14 8.061 6.152 2.512 0.00 0.00 -0.356 N ATOM 181 HE ARG A 14 7.285 6.631 2.956 0.00 0.00 +0.162 HD BRANCH 180 182 ATOM 182 CZ ARG A 14 8.921 6.930 1.829 0.00 0.00 +0.188 C ATOM 183 NH1 ARG A 14 8.776 8.194 1.651 0.00 0.00 -0.269 NA ATOM 184 HH1 ARG A 14 7.908 8.503 2.096 0.00 0.00 +0.190 HD BRANCH 182 185 ATOM 185 NH2 ARG A 14 10.004 6.316 1.316 0.00 0.00 -0.370 N ATOM 186 HH21 ARG A 14 10.655 7.016 0.975 0.00 0.00 +0.159 HD ATOM 187 HH22 ARG A 14 10.456 5.693 1.968 0.00 0.00 +0.159 HD ENDBRANCH 182 185 ENDBRANCH 180 182 ENDBRANCH 179 180 ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 6 177 TORSDOF 44