REMARK Name = BDB065146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ASN A 8 4.225 -3.983 -1.229 0.00 0.00 +0.168 C ENDROOT BRANCH 1 2 ATOM 2 C ASN A 8 5.139 -3.003 -0.450 0.00 0.00 +0.234 C ATOM 3 N LEU A 9 5.861 -2.112 -1.200 0.00 0.00 -0.302 N ATOM 4 H LEU A 9 5.306 -1.679 -1.942 0.00 0.00 +0.150 HD ATOM 5 O ASN A 8 5.236 -3.036 0.777 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA LEU A 9 6.968 -1.325 -0.665 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 C LEU A 9 6.585 -0.060 0.161 0.00 0.00 +0.234 C ATOM 8 N LEU A 10 5.571 -0.255 1.087 0.00 0.00 -0.302 N ATOM 9 H LEU A 10 5.233 -1.215 1.117 0.00 0.00 +0.150 HD ATOM 10 O LEU A 9 7.272 0.961 0.164 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA LEU A 10 5.660 0.378 2.407 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 C LEU A 10 5.599 1.926 2.349 0.00 0.00 +0.234 C ATOM 13 N SER A 11 4.467 2.420 1.743 0.00 0.00 -0.301 N ATOM 14 H SER A 11 4.034 1.824 1.030 0.00 0.00 +0.150 HD ATOM 15 O LEU A 10 6.401 2.671 2.912 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA SER A 11 4.223 3.862 1.632 0.00 0.00 +0.185 C BRANCH 16 17 ATOM 17 C SER A 11 2.699 4.050 1.773 0.00 0.00 +0.239 C ATOM 18 N PRO A 12 2.222 4.390 3.038 0.00 0.00 -0.288 N ATOM 19 CA PRO A 12 0.872 4.034 3.450 0.00 0.00 +0.162 C ATOM 20 CB PRO A 12 0.751 4.656 4.843 0.00 0.00 +0.033 C ATOM 21 CG PRO A 12 2.144 4.498 5.420 0.00 0.00 +0.021 C ATOM 22 CD PRO A 12 3.061 4.621 4.213 0.00 0.00 +0.109 C ATOM 23 O SER A 11 1.938 3.783 0.841 0.00 0.00 -0.273 OA BRANCH 19 24 ATOM 24 C PRO A 12 -0.371 4.449 2.631 0.00 0.00 +0.234 C ATOM 25 N ASN A 13 -1.501 3.720 2.992 0.00 0.00 -0.302 N ATOM 26 H ASN A 13 -1.335 2.780 3.360 0.00 0.00 +0.150 HD ATOM 27 O PRO A 12 -0.383 5.386 1.849 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 CA ASN A 13 -2.873 3.971 2.511 0.00 0.00 +0.168 C BRANCH 28 29 ATOM 29 C ASN A 13 -3.252 2.961 1.398 0.00 0.00 +0.234 C ATOM 30 N ASN A 14 -3.207 1.643 1.807 0.00 0.00 -0.302 N ATOM 31 H ASN A 14 -3.003 1.453 2.789 0.00 0.00 +0.150 HD ATOM 32 O ASN A 13 -3.594 3.279 0.262 0.00 0.00 -0.274 OA BRANCH 30 33 ATOM 33 CA ASN A 14 -3.898 0.548 1.103 0.00 0.00 +0.168 C BRANCH 33 34 ATOM 34 C ASN A 14 -3.738 -0.703 2.012 0.00 0.00 +0.234 C ATOM 35 N VAL A 15 -4.196 -1.907 1.533 0.00 0.00 -0.302 N ATOM 36 H VAL A 15 -4.190 -2.054 0.527 0.00 0.00 +0.150 HD ATOM 37 O ASN A 14 -3.299 -0.599 3.163 0.00 0.00 -0.274 OA BRANCH 35 38 ATOM 38 CA VAL A 15 -4.033 -3.114 2.339 0.00 0.00 +0.161 C BRANCH 38 39 ATOM 39 C VAL A 15 -2.592 -3.672 2.207 0.00 0.00 +0.234 C ATOM 40 N LEU A 16 -2.159 -4.406 3.303 0.00 0.00 -0.302 N ATOM 41 H LEU A 16 -2.868 -4.611 3.998 0.00 0.00 +0.150 HD ATOM 42 O VAL A 15 -1.929 -3.532 1.179 0.00 0.00 -0.274 OA BRANCH 40 43 ATOM 43 CA LEU A 16 -1.141 -5.450 3.181 0.00 0.00 +0.159 C BRANCH 43 44 ATOM 44 C LEU A 16 -1.084 -6.345 4.444 0.00 0.00 +0.234 C ATOM 45 N UNK A 17 -2.003 -6.087 5.448 0.00 0.00 -0.301 N ATOM 46 H UNK A 17 -2.105 -6.967 5.957 0.00 0.00 +0.150 HD ATOM 47 O LEU A 16 -0.322 -7.300 4.549 0.00 0.00 -0.274 OA BRANCH 45 48 ATOM 48 C UNK A 17 -1.614 -5.080 6.458 0.00 0.00 +0.184 C BRANCH 48 49 ATOM 49 C UNK A 17 -0.917 -5.833 7.603 0.00 0.00 +0.233 C ATOM 50 O UNK A 17 -1.234 -6.975 7.933 0.00 0.00 -0.274 OA ATOM 51 N UNK A 17 -0.021 -5.118 8.354 0.00 0.00 -0.328 N ATOM 52 H UNK A 17 0.617 -4.503 7.866 0.00 0.00 +0.145 HD ATOM 53 H UNK A 17 0.422 -5.686 9.070 0.00 0.00 +0.145 HD ENDBRANCH 48 49 BRANCH 48 54 ATOM 54 C UNK A 17 -2.828 -4.375 7.078 0.00 0.00 +0.187 C BRANCH 54 55 ATOM 55 O UNK A 17 -2.424 -3.241 7.856 0.00 0.00 -0.393 OA ATOM 56 H UNK A 17 -1.843 -3.582 8.568 0.00 0.00 +0.209 HD ENDBRANCH 54 55 ENDBRANCH 48 54 ENDBRANCH 45 48 ENDBRANCH 43 44 BRANCH 43 57 ATOM 57 CB LEU A 16 0.255 -5.019 2.692 0.00 0.00 +0.034 C BRANCH 57 58 ATOM 58 CG LEU A 16 0.958 -3.890 3.478 0.00 0.00 -0.015 C ATOM 59 CD2 LEU A 16 1.982 -3.204 2.564 0.00 0.00 +0.007 C ATOM 60 CD1 LEU A 16 1.696 -4.391 4.722 0.00 0.00 +0.007 C ENDBRANCH 57 58 ENDBRANCH 43 57 ENDBRANCH 40 43 ENDBRANCH 38 39 BRANCH 38 61 ATOM 61 CB VAL A 15 -5.047 -4.223 1.965 0.00 0.00 +0.012 C ATOM 62 CG2 VAL A 15 -6.481 -3.771 2.251 0.00 0.00 +0.009 C ATOM 63 CG1 VAL A 15 -4.931 -4.698 0.510 0.00 0.00 +0.009 C ENDBRANCH 38 61 ENDBRANCH 35 38 ENDBRANCH 33 34 BRANCH 33 64 ATOM 64 CB ASN A 14 -3.388 0.342 -0.321 0.00 0.00 +0.127 C BRANCH 64 65 ATOM 65 CG ASN A 14 -4.348 0.959 -1.309 0.00 0.00 +0.213 C ATOM 66 OD1 ASN A 14 -5.562 0.761 -1.308 0.00 0.00 -0.276 OA ATOM 67 ND2 ASN A 14 -3.740 1.695 -2.281 0.00 0.00 -0.329 N ATOM 68 HD21 ASN A 14 -2.788 2.024 -2.130 0.00 0.00 +0.145 HD ATOM 69 HD22 ASN A 14 -4.333 2.379 -2.748 0.00 0.00 +0.145 HD ENDBRANCH 64 65 ENDBRANCH 33 64 ENDBRANCH 30 33 ENDBRANCH 28 29 BRANCH 28 70 ATOM 70 CB ASN A 13 -3.154 5.429 2.154 0.00 0.00 +0.127 C BRANCH 70 71 ATOM 71 CG ASN A 13 -4.633 5.716 2.172 0.00 0.00 +0.213 C ATOM 72 OD1 ASN A 13 -5.504 4.942 1.819 0.00 0.00 -0.276 OA ATOM 73 ND2 ASN A 13 -4.943 6.984 2.593 0.00 0.00 -0.329 N ATOM 74 HD21 ASN A 13 -4.258 7.725 2.524 0.00 0.00 +0.145 HD ATOM 75 HD22 ASN A 13 -5.918 7.260 2.551 0.00 0.00 +0.145 HD ENDBRANCH 70 71 ENDBRANCH 28 70 ENDBRANCH 25 28 ENDBRANCH 19 24 ENDBRANCH 16 17 BRANCH 16 76 ATOM 76 CB SER A 11 4.774 4.399 0.314 0.00 0.00 +0.187 C BRANCH 76 77 ATOM 77 OG SER A 11 6.165 4.738 0.442 0.00 0.00 -0.393 OA ATOM 78 H SER A 11 6.571 4.042 0.998 0.00 0.00 +0.209 HD ENDBRANCH 76 77 ENDBRANCH 16 76 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 79 ATOM 79 CB LEU A 10 6.872 -0.162 3.195 0.00 0.00 +0.034 C BRANCH 79 80 ATOM 80 CG LEU A 10 6.635 -0.421 4.699 0.00 0.00 -0.015 C ATOM 81 CD2 LEU A 10 5.579 -1.504 4.946 0.00 0.00 +0.007 C ATOM 82 CD1 LEU A 10 6.293 0.846 5.483 0.00 0.00 +0.007 C ENDBRANCH 79 80 ENDBRANCH 11 79 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 83 ATOM 83 CB LEU A 9 7.934 -0.974 -1.819 0.00 0.00 +0.034 C BRANCH 83 84 ATOM 84 CG LEU A 9 8.655 -2.202 -2.421 0.00 0.00 -0.015 C ATOM 85 CD2 LEU A 9 9.297 -1.838 -3.759 0.00 0.00 +0.007 C ATOM 86 CD1 LEU A 9 9.717 -2.759 -1.470 0.00 0.00 +0.007 C ENDBRANCH 83 84 ENDBRANCH 6 83 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 88 ATOM 87 C TRP A 7 3.359 -2.575 -3.075 0.00 0.00 +0.234 C ATOM 88 N ASN A 8 3.972 -3.744 -2.660 0.00 0.00 -0.302 N ATOM 89 H ASN A 8 3.620 -4.566 -3.141 0.00 0.00 +0.150 HD ATOM 90 O TRP A 7 3.459 -1.528 -2.435 0.00 0.00 -0.274 OA BRANCH 87 91 ATOM 91 CA TRP A 7 2.399 -2.732 -4.279 0.00 0.00 +0.163 C BRANCH 91 93 ATOM 92 C TYR A 6 -0.121 -2.428 -4.116 0.00 0.00 +0.234 C ATOM 93 N TRP A 7 1.103 -2.796 -3.609 0.00 0.00 -0.302 N ATOM 94 H TRP A 7 1.103 -3.081 -2.624 0.00 0.00 +0.150 HD ATOM 95 O TYR A 6 -0.327 -2.270 -5.313 0.00 0.00 -0.274 OA BRANCH 92 96 ATOM 96 CA TYR A 6 -1.198 -2.230 -3.004 0.00 0.00 +0.163 C BRANCH 96 98 ATOM 97 C GLU A 5 0.269 -1.473 -1.134 0.00 0.00 +0.234 C ATOM 98 N TYR A 6 -0.701 -1.187 -2.078 0.00 0.00 -0.302 N ATOM 99 H TYR A 6 -0.954 -0.228 -2.283 0.00 0.00 +0.150 HD ATOM 100 O GLU A 5 0.628 -2.637 -0.926 0.00 0.00 -0.274 OA BRANCH 97 101 ATOM 101 CA GLU A 5 0.868 -0.304 -0.324 0.00 0.00 +0.159 C BRANCH 101 103 ATOM 102 C ALA A 4 2.146 1.554 -1.327 0.00 0.00 +0.234 C ATOM 103 N GLU A 5 0.927 0.923 -1.105 0.00 0.00 -0.302 N ATOM 104 H GLU A 5 0.319 1.022 -1.903 0.00 0.00 +0.150 HD ATOM 105 O ALA A 4 3.138 1.394 -0.614 0.00 0.00 -0.274 OA BRANCH 102 106 ATOM 106 CA ALA A 4 2.132 2.401 -2.626 0.00 0.00 +0.156 C ATOM 107 CB ALA A 4 3.512 2.904 -3.015 0.00 0.00 +0.038 C BRANCH 106 109 ATOM 108 C PHE A 3 -0.165 3.389 -2.826 0.00 0.00 +0.234 C ATOM 109 N ALA A 4 1.181 3.513 -2.555 0.00 0.00 -0.303 N ATOM 110 H ALA A 4 1.482 4.331 -2.029 0.00 0.00 +0.149 HD ATOM 111 O PHE A 3 -0.697 2.284 -2.997 0.00 0.00 -0.274 OA BRANCH 108 112 ATOM 112 CA PHE A 3 -0.956 4.715 -2.869 0.00 0.00 +0.163 C BRANCH 112 114 ATOM 113 C SER A 2 -2.733 5.282 -4.542 0.00 0.00 +0.236 C ATOM 114 N PHE A 3 -2.216 4.439 -3.571 0.00 0.00 -0.302 N ATOM 115 H PHE A 3 -2.504 3.470 -3.625 0.00 0.00 +0.150 HD ATOM 116 O SER A 2 -2.183 6.333 -4.862 0.00 0.00 -0.274 OA BRANCH 113 117 ATOM 117 CA SER A 2 -3.968 4.697 -5.269 0.00 0.00 +0.184 C BRANCH 117 119 ATOM 118 C THR A 1 -5.777 4.829 -3.566 0.00 0.00 +0.237 C ATOM 119 N SER A 2 -4.909 4.064 -4.323 0.00 0.00 -0.300 N ATOM 120 H SER A 2 -5.300 3.160 -4.609 0.00 0.00 +0.150 HD ATOM 121 O THR A 1 -5.721 6.060 -3.545 0.00 0.00 -0.274 OA BRANCH 118 122 ATOM 122 CA THR A 1 -6.832 4.033 -2.746 0.00 0.00 +0.187 C BRANCH 122 125 ATOM 123 C UNK A 0 -7.858 3.775 0.113 0.00 0.00 +0.109 C ATOM 124 C UNK A 0 -7.967 5.041 -0.694 0.00 0.00 +0.211 C ATOM 125 N THR A 1 -7.635 5.017 -2.014 0.00 0.00 -0.302 N ATOM 126 H THR A 1 -7.657 5.951 -2.419 0.00 0.00 +0.150 HD ATOM 127 O UNK A 0 -8.431 6.073 -0.212 0.00 0.00 -0.276 OA ENDBRANCH 122 125 BRANCH 122 128 ATOM 128 CB THR A 1 -7.680 3.169 -3.712 0.00 0.00 +0.141 C ATOM 129 CG2 THR A 1 -8.834 2.452 -3.014 0.00 0.00 +0.040 C BRANCH 128 130 ATOM 130 OG1 THR A 1 -6.834 2.187 -4.342 0.00 0.00 -0.390 OA ATOM 131 HG1 THR A 1 -7.390 1.426 -4.595 0.00 0.00 +0.210 HD ENDBRANCH 128 130 ENDBRANCH 122 128 ENDBRANCH 118 122 ENDBRANCH 117 119 BRANCH 117 132 ATOM 132 CB SER A 2 -4.621 5.731 -6.198 0.00 0.00 +0.187 C BRANCH 132 133 ATOM 133 OG SER A 2 -4.139 5.583 -7.538 0.00 0.00 -0.393 OA ATOM 134 H SER A 2 -4.301 6.440 -7.971 0.00 0.00 +0.209 HD ENDBRANCH 132 133 ENDBRANCH 117 132 ENDBRANCH 113 117 ENDBRANCH 112 114 BRANCH 112 135 ATOM 135 CB PHE A 3 -1.171 5.232 -1.437 0.00 0.00 +0.067 C BRANCH 135 136 ATOM 136 CG PHE A 3 -1.639 6.663 -1.341 0.00 0.00 -0.045 A ATOM 137 CD2 PHE A 3 -0.732 7.686 -1.029 0.00 0.00 +0.004 A ATOM 138 CE2 PHE A 3 -1.172 9.009 -0.895 0.00 0.00 +0.000 A ATOM 139 CZ PHE A 3 -2.520 9.317 -1.074 0.00 0.00 +0.000 A ATOM 140 CE1 PHE A 3 -3.417 8.314 -1.411 0.00 0.00 +0.000 A ATOM 141 CD1 PHE A 3 -2.985 6.992 -1.534 0.00 0.00 +0.004 A ENDBRANCH 135 136 ENDBRANCH 112 135 ENDBRANCH 108 112 ENDBRANCH 106 109 ENDBRANCH 102 106 ENDBRANCH 101 103 BRANCH 101 142 ATOM 142 CB GLU A 5 0.108 -0.108 0.988 0.00 0.00 +0.043 C BRANCH 142 143 ATOM 143 CG GLU A 5 1.048 0.372 2.088 0.00 0.00 +0.123 C BRANCH 143 144 ATOM 144 CD GLU A 5 0.331 0.477 3.400 0.00 0.00 +0.305 C ATOM 145 OE1 GLU A 5 -0.758 1.003 3.591 0.00 0.00 -0.251 OA BRANCH 144 146 ATOM 146 OE2 GLU A 5 1.044 -0.007 4.433 0.00 0.00 -0.481 OA ATOM 147 HE2 GLU A 5 0.456 0.104 5.213 0.00 0.00 +0.295 HD ENDBRANCH 144 146 ENDBRANCH 143 144 ENDBRANCH 142 143 ENDBRANCH 101 142 ENDBRANCH 97 101 ENDBRANCH 96 98 BRANCH 96 148 ATOM 148 CB TYR A 6 -2.564 -1.832 -3.600 0.00 0.00 +0.067 C BRANCH 148 149 ATOM 149 CG TYR A 6 -3.618 -2.921 -3.630 0.00 0.00 -0.045 A ATOM 150 CD2 TYR A 6 -4.971 -2.564 -3.484 0.00 0.00 +0.007 A ATOM 151 CE2 TYR A 6 -5.982 -3.528 -3.554 0.00 0.00 +0.045 A ATOM 152 CZ TYR A 6 -5.639 -4.857 -3.755 0.00 0.00 +0.117 A ATOM 153 CE1 TYR A 6 -4.312 -5.239 -3.892 0.00 0.00 +0.045 A ATOM 154 CD1 TYR A 6 -3.304 -4.271 -3.853 0.00 0.00 +0.007 A BRANCH 152 155 ATOM 155 OH TYR A 6 -6.601 -5.818 -3.847 0.00 0.00 -0.507 OA ATOM 156 HH TYR A 6 -7.364 -5.405 -4.286 0.00 0.00 +0.292 HD ENDBRANCH 152 155 ENDBRANCH 148 149 ENDBRANCH 96 148 ENDBRANCH 92 96 ENDBRANCH 91 93 BRANCH 91 157 ATOM 157 CB TRP A 7 2.576 -1.540 -5.231 0.00 0.00 +0.069 C BRANCH 157 158 ATOM 158 CG TRP A 7 3.962 -1.435 -5.795 0.00 0.00 -0.020 A ATOM 159 CD2 TRP A 7 4.559 -2.285 -6.775 0.00 0.00 +0.003 A ATOM 160 CE2 TRP A 7 5.859 -1.825 -6.994 0.00 0.00 +0.047 A ATOM 161 CZ2 TRP A 7 6.738 -2.436 -7.895 0.00 0.00 +0.026 A ATOM 162 CH2 TRP A 7 6.278 -3.544 -8.601 0.00 0.00 +0.002 A ATOM 163 CZ3 TRP A 7 4.981 -4.021 -8.417 0.00 0.00 +0.001 A ATOM 164 NE1 TRP A 7 6.038 -0.719 -6.190 0.00 0.00 -0.360 N ATOM 165 HE1 TRP A 7 6.886 -0.170 -6.147 0.00 0.00 +0.165 HD ATOM 166 CE3 TRP A 7 4.112 -3.406 -7.505 0.00 0.00 +0.010 A ATOM 167 CD1 TRP A 7 4.908 -0.488 -5.453 0.00 0.00 +0.087 A ENDBRANCH 157 158 ENDBRANCH 91 157 ENDBRANCH 87 91 ENDBRANCH 1 88 BRANCH 1 168 ATOM 168 CB ASN A 8 4.858 -5.379 -1.059 0.00 0.00 +0.127 C BRANCH 168 169 ATOM 169 CG ASN A 8 3.813 -6.464 -1.066 0.00 0.00 +0.213 C ATOM 170 OD1 ASN A 8 2.612 -6.265 -1.214 0.00 0.00 -0.276 OA ATOM 171 ND2 ASN A 8 4.297 -7.732 -0.941 0.00 0.00 -0.329 N ATOM 172 HD21 ASN A 8 3.611 -8.477 -0.907 0.00 0.00 +0.145 HD ATOM 173 HD22 ASN A 8 5.269 -7.961 -0.786 0.00 0.00 +0.145 HD ENDBRANCH 168 169 ENDBRANCH 1 168 TORSDOF 65