REMARK Name = BDB053323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C PRO A 7 0.449 -3.041 0.546 0.00 0.00 +0.254 C ATOM 2 N THR A 8 -0.777 -3.077 -0.155 0.00 0.00 -0.201 NA ATOM 3 O PRO A 7 0.727 -2.340 1.537 0.00 0.00 -0.272 OA ENDROOT BRANCH 1 6 ATOM 4 C UNK A 6 3.356 -5.538 1.791 0.00 0.00 +0.242 C ATOM 5 N PRO A 7 2.035 -5.047 1.480 0.00 0.00 -0.277 N ATOM 6 CA PRO A 7 1.550 -4.287 0.127 0.00 0.00 +0.172 C ATOM 7 CB PRO A 7 0.739 -5.549 -0.401 0.00 0.00 +0.025 C ATOM 8 CG PRO A 7 0.325 -6.728 0.456 0.00 0.00 +0.023 C ATOM 9 CD PRO A 7 1.036 -6.009 1.605 0.00 0.00 +0.094 C ATOM 10 O UNK A 6 3.429 -6.409 2.692 0.00 0.00 -0.273 OA BRANCH 4 11 ATOM 11 C UNK A 6 4.710 -5.269 0.947 0.00 0.00 +0.221 C BRANCH 11 13 ATOM 12 C THR A 5 6.827 -3.695 0.702 0.00 0.00 +0.258 C ATOM 13 N UNK A 6 5.660 -3.956 1.413 0.00 0.00 -0.200 NA ATOM 14 O THR A 5 7.163 -4.370 -0.315 0.00 0.00 -0.272 OA BRANCH 12 15 ATOM 15 CA THR A 5 7.928 -2.538 1.051 0.00 0.00 +0.217 C BRANCH 15 16 ATOM 16 CB THR A 5 8.935 -2.844 2.296 0.00 0.00 +0.196 C ATOM 17 OG1 THR A 5 9.715 -3.922 2.197 0.00 0.00 -0.228 OA ATOM 18 CG2 THR A 5 8.290 -2.988 3.772 0.00 0.00 +0.030 C ENDBRANCH 15 16 BRANCH 15 20 ATOM 19 C SER A 4 7.733 0.048 0.281 0.00 0.00 +0.258 C ATOM 20 N THR A 5 7.619 -0.938 1.240 0.00 0.00 -0.201 NA ATOM 21 O SER A 4 6.723 0.384 -0.424 0.00 0.00 -0.272 OA BRANCH 19 22 ATOM 22 CA SER A 4 8.840 1.313 0.596 0.00 0.00 +0.225 C BRANCH 22 24 ATOM 23 C ARG A 3 11.073 1.512 -0.749 0.00 0.00 +0.256 C ATOM 24 N SER A 4 10.387 1.429 0.445 0.00 0.00 -0.200 NA ATOM 25 O ARG A 3 10.762 0.959 -1.836 0.00 0.00 -0.272 OA BRANCH 23 26 ATOM 26 CA ARG A 3 12.620 2.017 -0.579 0.00 0.00 +0.193 C BRANCH 26 28 ATOM 27 C SER A 2 14.394 2.691 -2.075 0.00 0.00 +0.258 C ATOM 28 N ARG A 3 13.207 2.989 -1.601 0.00 0.00 -0.203 NA ATOM 29 O SER A 2 15.163 1.768 -1.778 0.00 0.00 -0.272 OA BRANCH 27 30 ATOM 30 CA SER A 2 14.915 3.900 -3.002 0.00 0.00 +0.225 C BRANCH 30 32 ATOM 31 C ILE A 1 16.966 4.154 -1.710 0.00 0.00 +0.253 C ATOM 32 N SER A 2 16.400 4.263 -2.939 0.00 0.00 -0.200 NA ATOM 33 O ILE A 1 18.126 3.710 -1.550 0.00 0.00 -0.272 OA BRANCH 31 34 ATOM 34 CA ILE A 1 16.303 4.931 -0.546 0.00 0.00 +0.184 C ATOM 35 N ILE A 1 17.371 5.159 0.520 0.00 0.00 -0.130 NA BRANCH 34 36 ATOM 36 CB ILE A 1 15.903 6.307 -1.074 0.00 0.00 +0.034 C ATOM 37 CG2 ILE A 1 15.437 7.462 0.144 0.00 0.00 -0.003 C BRANCH 36 39 ATOM 38 CD1 ILE A 1 18.114 8.167 -2.413 0.00 0.00 -0.000 C ATOM 39 CG1 ILE A 1 17.004 7.095 -1.787 0.00 0.00 -0.002 C ENDBRANCH 36 39 ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 30 32 BRANCH 30 40 ATOM 40 CB SER A 2 14.693 3.692 -4.509 0.00 0.00 +0.207 C ATOM 41 OG SER A 2 14.449 3.632 -5.958 0.00 0.00 -0.218 OA ENDBRANCH 30 40 ENDBRANCH 27 30 ENDBRANCH 26 28 BRANCH 26 42 ATOM 42 CB ARG A 3 12.945 2.555 0.766 0.00 0.00 +0.027 C BRANCH 42 43 ATOM 43 CG ARG A 3 13.255 3.154 2.182 0.00 0.00 +0.028 C BRANCH 43 44 ATOM 44 CD ARG A 3 13.503 3.558 3.699 0.00 0.00 +0.129 C BRANCH 44 45 ATOM 45 NE ARG A 3 13.808 3.973 4.941 0.00 0.00 -0.234 NA ATOM 46 CZ ARG A 3 15.056 4.117 5.244 0.00 0.00 +0.284 C ATOM 47 NH2 ARG A 3 16.224 3.824 4.319 0.00 0.00 -0.104 NA ATOM 48 NH1 ARG A 3 15.373 4.625 6.595 0.00 0.00 -0.104 NA ENDBRANCH 44 45 ENDBRANCH 43 44 ENDBRANCH 42 43 ENDBRANCH 26 42 ENDBRANCH 23 26 ENDBRANCH 22 24 BRANCH 22 49 ATOM 49 CB SER A 4 8.269 2.669 -0.011 0.00 0.00 +0.207 C ATOM 50 OG SER A 4 7.736 3.959 -0.334 0.00 0.00 -0.218 OA ENDBRANCH 22 49 ENDBRANCH 19 22 ENDBRANCH 15 20 ENDBRANCH 12 15 ENDBRANCH 11 13 BRANCH 11 51 ATOM 51 C UNK A 6 5.503 -6.740 1.012 0.00 0.00 +0.178 C BRANCH 51 52 ATOM 52 O UNK A 6 6.044 -8.044 1.415 0.00 0.00 -0.268 OA BRANCH 52 53 ATOM 53 P UNK A 6 5.776 -9.513 0.609 0.00 0.00 +0.533 P ATOM 54 O UNK A 6 6.987 -10.484 0.760 0.00 0.00 -0.222 OA ATOM 55 O UNK A 6 5.601 -9.247 -0.891 0.00 0.00 -0.115 OA ATOM 56 O UNK A 6 4.577 -10.193 1.143 0.00 0.00 -0.115 OA ENDBRANCH 52 53 ENDBRANCH 51 52 ENDBRANCH 11 51 ENDBRANCH 4 11 ENDBRANCH 1 6 BRANCH 2 57 ATOM 57 CA THR A 8 -1.608 -1.718 -0.300 0.00 0.00 +0.217 C BRANCH 57 58 ATOM 58 C THR A 8 -2.999 -1.875 0.700 0.00 0.00 +0.258 C ATOM 59 N PHE A 9 -3.993 -0.922 0.424 0.00 0.00 -0.202 NA ATOM 60 O THR A 8 -3.058 -2.582 1.734 0.00 0.00 -0.272 OA BRANCH 59 61 ATOM 61 CA PHE A 9 -5.511 -1.327 0.500 0.00 0.00 +0.197 C BRANCH 61 62 ATOM 62 C PHE A 9 -6.498 -0.561 1.513 0.00 0.00 +0.256 C ATOM 63 N ASN A 10 -7.699 -1.215 1.786 0.00 0.00 -0.202 NA ATOM 64 O PHE A 9 -6.306 0.574 1.939 0.00 0.00 -0.272 OA BRANCH 63 65 ATOM 65 CA ASN A 10 -8.862 -0.616 1.024 0.00 0.00 +0.202 C BRANCH 65 66 ATOM 66 C ASN A 10 -10.271 -0.492 1.824 0.00 0.00 +0.256 C ATOM 67 N LYS A 11 -10.600 0.804 2.119 0.00 0.00 -0.203 NA ATOM 68 O ASN A 10 -11.088 -1.398 1.956 0.00 0.00 -0.272 OA BRANCH 67 69 ATOM 69 CA LYS A 11 -11.452 1.458 0.972 0.00 0.00 +0.192 C BRANCH 69 70 ATOM 70 C LYS A 11 -12.090 2.922 1.273 0.00 0.00 +0.255 C ATOM 71 N GLN A 12 -13.416 3.079 1.609 0.00 0.00 -0.203 NA ATOM 72 O LYS A 11 -11.300 3.837 0.987 0.00 0.00 -0.272 OA BRANCH 71 73 ATOM 73 CA GLN A 12 -14.211 4.273 1.030 0.00 0.00 +0.193 C BRANCH 73 74 ATOM 74 C GLN A 12 -15.369 3.919 -0.070 0.00 0.00 +0.256 C ATOM 75 N THR A 13 -16.438 4.827 -0.076 0.00 0.00 -0.199 NA ATOM 76 O GLN A 12 -15.156 3.086 -0.966 0.00 0.00 -0.272 OA BRANCH 75 77 ATOM 77 CA THR A 13 -17.883 4.287 -0.420 0.00 0.00 +0.242 C BRANCH 77 78 ATOM 78 CB THR A 13 -19.081 5.323 -0.606 0.00 0.00 +0.198 C ATOM 79 OG1 THR A 13 -19.218 6.332 0.287 0.00 0.00 -0.228 OA ATOM 80 CG2 THR A 13 -20.584 4.655 -0.568 0.00 0.00 +0.031 C ENDBRANCH 77 78 BRANCH 77 81 ATOM 81 C THR A 13 -18.025 3.336 -1.699 0.00 0.00 +0.380 C ATOM 82 OXT THR A 13 -18.465 2.153 -1.491 0.00 0.00 -0.244 OA ATOM 83 O THR A 13 -17.896 3.764 -2.895 0.00 0.00 -0.244 OA ENDBRANCH 77 81 ENDBRANCH 75 77 ENDBRANCH 73 74 BRANCH 73 84 ATOM 84 CB GLN A 12 -13.389 5.324 0.340 0.00 0.00 +0.035 C BRANCH 84 85 ATOM 85 CG GLN A 12 -12.470 6.191 -0.474 0.00 0.00 +0.090 C BRANCH 85 86 ATOM 86 CD GLN A 12 -11.893 7.053 -1.483 0.00 0.00 +0.261 C ATOM 87 OE1 GLN A 12 -12.437 7.425 -2.488 0.00 0.00 -0.272 OA ATOM 88 NE2 GLN A 12 -10.459 7.446 -1.425 0.00 0.00 -0.088 NA ENDBRANCH 85 86 ENDBRANCH 84 85 ENDBRANCH 73 84 ENDBRANCH 71 73 ENDBRANCH 69 70 BRANCH 69 89 ATOM 89 CB LYS A 11 -12.534 0.551 0.388 0.00 0.00 +0.025 C BRANCH 89 90 ATOM 90 CG LYS A 11 -13.492 -0.227 -0.563 0.00 0.00 +0.003 C BRANCH 90 91 ATOM 91 CD LYS A 11 -14.508 -0.943 -1.442 0.00 0.00 +0.021 C BRANCH 91 92 ATOM 92 CE LYS A 11 -15.825 -1.612 -1.769 0.00 0.00 +0.109 C ATOM 93 NZ LYS A 11 -17.147 -2.212 -2.067 0.00 0.00 -0.131 NA ENDBRANCH 91 92 ENDBRANCH 90 91 ENDBRANCH 89 90 ENDBRANCH 69 89 ENDBRANCH 67 69 ENDBRANCH 65 66 BRANCH 65 94 ATOM 94 CB ASN A 10 -9.064 -1.528 -0.101 0.00 0.00 +0.113 C BRANCH 94 95 ATOM 95 CG ASN A 10 -9.522 -2.587 -0.915 0.00 0.00 +0.263 C ATOM 96 OD1 ASN A 10 -10.457 -3.340 -0.643 0.00 0.00 -0.272 OA ATOM 97 ND2 ASN A 10 -9.165 -2.559 -2.347 0.00 0.00 -0.088 NA ENDBRANCH 94 95 ENDBRANCH 65 94 ENDBRANCH 63 65 ENDBRANCH 61 62 BRANCH 61 98 ATOM 98 CB PHE A 9 -5.700 -2.762 0.185 0.00 0.00 +0.050 C BRANCH 98 99 ATOM 99 CG PHE A 9 -5.163 -3.923 -0.409 0.00 0.00 -0.037 A ATOM 100 CD2 PHE A 9 -4.579 -4.945 0.336 0.00 0.00 +0.004 A ATOM 101 CE2 PHE A 9 -3.670 -5.766 -0.348 0.00 0.00 +0.000 A ATOM 102 CZ PHE A 9 -3.465 -5.671 -1.735 0.00 0.00 +0.000 A ATOM 103 CE1 PHE A 9 -4.094 -4.674 -2.454 0.00 0.00 +0.000 A ATOM 104 CD1 PHE A 9 -4.972 -3.822 -1.800 0.00 0.00 +0.004 A ENDBRANCH 98 99 ENDBRANCH 61 98 ENDBRANCH 59 61 ENDBRANCH 57 58 BRANCH 57 105 ATOM 105 CB THR A 8 -1.978 -1.211 -1.822 0.00 0.00 +0.196 C ATOM 106 OG1 THR A 8 -2.310 -2.152 -2.728 0.00 0.00 -0.228 OA ATOM 107 CG2 THR A 8 -0.769 -0.493 -2.581 0.00 0.00 +0.030 C ENDBRANCH 57 105 ENDBRANCH 2 57 TORSDOF 49