REMARK Name = BDB065149 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LYS A 8 5.613 -0.628 0.118 0.00 0.00 +0.234 C ATOM 2 N LEU A 9 5.693 -1.486 1.193 0.00 0.00 -0.302 N ATOM 3 H LEU A 9 5.325 -2.424 1.092 0.00 0.00 +0.150 HD ATOM 4 O LYS A 8 5.528 0.592 0.272 0.00 0.00 -0.274 OA ENDROOT BRANCH 2 5 ATOM 5 CA LEU A 9 6.089 -1.086 2.559 0.00 0.00 +0.159 C BRANCH 5 6 ATOM 6 C LEU A 9 4.949 -0.515 3.470 0.00 0.00 +0.234 C ATOM 7 N LEU A 10 5.362 -0.267 4.769 0.00 0.00 -0.302 N ATOM 8 H LEU A 10 6.355 -0.174 4.940 0.00 0.00 +0.150 HD ATOM 9 O LEU A 9 3.782 -0.407 3.107 0.00 0.00 -0.274 OA BRANCH 7 10 ATOM 10 CA LEU A 10 4.492 0.151 5.873 0.00 0.00 +0.159 C BRANCH 10 11 ATOM 11 C LEU A 10 4.137 1.659 5.774 0.00 0.00 +0.237 C ATOM 12 N PRO A 11 3.092 2.133 6.553 0.00 0.00 -0.288 N ATOM 13 CA PRO A 11 2.131 1.375 7.377 0.00 0.00 +0.162 C ATOM 14 CB PRO A 11 1.573 2.413 8.344 0.00 0.00 +0.033 C ATOM 15 CG PRO A 11 1.618 3.707 7.536 0.00 0.00 +0.021 C ATOM 16 CD PRO A 11 2.872 3.567 6.687 0.00 0.00 +0.109 C ATOM 17 O LEU A 10 4.824 2.429 5.098 0.00 0.00 -0.274 OA BRANCH 13 18 ATOM 18 C PRO A 11 0.998 0.805 6.506 0.00 0.00 +0.234 C ATOM 19 N GLU A 12 0.609 -0.481 6.835 0.00 0.00 -0.302 N ATOM 20 H GLU A 12 1.171 -0.976 7.519 0.00 0.00 +0.150 HD ATOM 21 O PRO A 11 0.520 1.440 5.568 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 CA GLU A 12 -0.084 -1.348 5.877 0.00 0.00 +0.159 C BRANCH 22 23 ATOM 23 C GLU A 12 0.939 -1.582 4.739 0.00 0.00 +0.234 C ATOM 24 N ASN A 13 1.001 -0.740 3.666 0.00 0.00 -0.302 N ATOM 25 H ASN A 13 1.923 -0.848 3.227 0.00 0.00 +0.150 HD ATOM 26 O GLU A 12 1.899 -2.338 4.945 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 CA ASN A 13 -0.066 -0.489 2.684 0.00 0.00 +0.168 C BRANCH 27 28 ATOM 28 C ASN A 13 0.530 -0.894 1.310 0.00 0.00 +0.234 C ATOM 29 N ASN A 14 0.084 -0.224 0.182 0.00 0.00 -0.302 N ATOM 30 H ASN A 14 -0.351 0.687 0.307 0.00 0.00 +0.150 HD ATOM 31 O ASN A 13 1.320 -1.833 1.201 0.00 0.00 -0.274 OA BRANCH 29 32 ATOM 32 CA ASN A 14 0.927 -0.247 -1.028 0.00 0.00 +0.168 C BRANCH 32 33 ATOM 33 C ASN A 14 0.932 -1.650 -1.677 0.00 0.00 +0.234 C ATOM 34 N VAL A 15 -0.291 -2.293 -1.538 0.00 0.00 -0.302 N ATOM 35 H VAL A 15 -0.757 -2.044 -0.676 0.00 0.00 +0.150 HD ATOM 36 O ASN A 14 1.860 -2.080 -2.353 0.00 0.00 -0.274 OA BRANCH 34 37 ATOM 37 CA VAL A 15 -0.520 -3.665 -2.011 0.00 0.00 +0.161 C BRANCH 37 38 ATOM 38 C VAL A 15 -2.020 -3.860 -2.345 0.00 0.00 +0.234 C ATOM 39 N LEU A 16 -2.841 -2.816 -1.965 0.00 0.00 -0.302 N ATOM 40 H LEU A 16 -2.387 -1.908 -2.054 0.00 0.00 +0.150 HD ATOM 41 O VAL A 15 -2.463 -4.872 -2.887 0.00 0.00 -0.274 OA BRANCH 39 42 ATOM 42 CA LEU A 16 -4.280 -2.831 -2.258 0.00 0.00 +0.159 C BRANCH 42 43 ATOM 43 C LEU A 16 -4.380 -2.505 -3.756 0.00 0.00 +0.234 C ATOM 44 N SER A 17 -4.510 -3.514 -4.665 0.00 0.00 -0.299 N ATOM 45 H SER A 17 -4.609 -3.150 -5.612 0.00 0.00 +0.150 HD ATOM 46 O LEU A 16 -4.168 -1.363 -4.167 0.00 0.00 -0.274 OA BRANCH 44 47 ATOM 47 CA SER A 17 -5.143 -4.846 -4.504 0.00 0.00 +0.207 C BRANCH 47 48 ATOM 48 C SER A 17 -4.403 -5.900 -5.341 0.00 0.00 +0.328 C ATOM 49 O SER A 17 -4.934 -6.883 -5.839 0.00 0.00 -0.249 OA BRANCH 48 50 ATOM 50 OXT SER A 17 -3.063 -5.701 -5.389 0.00 0.00 -0.479 OA ATOM 51 HXT SER A 17 -2.790 -5.031 -4.716 0.00 0.00 +0.295 HD ENDBRANCH 48 50 ENDBRANCH 47 48 BRANCH 47 52 ATOM 52 CB SER A 17 -6.625 -4.800 -4.901 0.00 0.00 +0.189 C BRANCH 52 53 ATOM 53 OG SER A 17 -6.787 -4.066 -6.116 0.00 0.00 -0.393 OA ATOM 54 H SER A 17 -7.684 -4.247 -6.447 0.00 0.00 +0.209 HD ENDBRANCH 52 53 ENDBRANCH 47 52 ENDBRANCH 44 47 ENDBRANCH 42 43 BRANCH 42 55 ATOM 55 CB LEU A 16 -4.972 -1.781 -1.371 0.00 0.00 +0.034 C BRANCH 55 56 ATOM 56 CG LEU A 16 -6.505 -1.927 -1.279 0.00 0.00 -0.015 C ATOM 57 CD2 LEU A 16 -7.031 -1.087 -0.108 0.00 0.00 +0.007 C ATOM 58 CD1 LEU A 16 -7.225 -1.502 -2.557 0.00 0.00 +0.007 C ENDBRANCH 55 56 ENDBRANCH 42 55 ENDBRANCH 39 42 ENDBRANCH 37 38 BRANCH 37 59 ATOM 59 CB VAL A 15 -0.007 -4.709 -0.985 0.00 0.00 +0.012 C ATOM 60 CG2 VAL A 15 -0.746 -4.657 0.358 0.00 0.00 +0.009 C ATOM 61 CG1 VAL A 15 -0.058 -6.139 -1.530 0.00 0.00 +0.009 C ENDBRANCH 37 59 ENDBRANCH 34 37 ENDBRANCH 32 33 BRANCH 32 62 ATOM 62 CB ASN A 14 2.338 0.305 -0.779 0.00 0.00 +0.127 C BRANCH 62 63 ATOM 63 CG ASN A 14 2.449 1.800 -0.973 0.00 0.00 +0.213 C ATOM 64 OD1 ASN A 14 1.640 2.490 -1.587 0.00 0.00 -0.276 OA ATOM 65 ND2 ASN A 14 3.586 2.352 -0.461 0.00 0.00 -0.329 N ATOM 66 HD21 ASN A 14 4.319 1.789 -0.022 0.00 0.00 +0.145 HD ATOM 67 HD22 ASN A 14 3.736 3.349 -0.476 0.00 0.00 +0.145 HD ENDBRANCH 62 63 ENDBRANCH 32 62 ENDBRANCH 29 32 ENDBRANCH 27 28 BRANCH 27 68 ATOM 68 CB ASN A 13 -0.630 0.929 2.742 0.00 0.00 +0.127 C BRANCH 68 69 ATOM 69 CG ASN A 13 0.278 1.966 2.144 0.00 0.00 +0.213 C ATOM 70 OD1 ASN A 13 0.048 2.409 1.019 0.00 0.00 -0.276 OA ATOM 71 ND2 ASN A 13 1.358 2.316 2.880 0.00 0.00 -0.329 N ATOM 72 HD21 ASN A 13 1.969 3.050 2.551 0.00 0.00 +0.145 HD ATOM 73 HD22 ASN A 13 1.405 2.080 3.870 0.00 0.00 +0.145 HD ENDBRANCH 68 69 ENDBRANCH 27 68 ENDBRANCH 24 27 ENDBRANCH 22 23 BRANCH 22 74 ATOM 74 CB GLU A 12 -1.522 -0.955 5.550 0.00 0.00 +0.043 C BRANCH 74 75 ATOM 75 CG GLU A 12 -2.451 -0.945 6.762 0.00 0.00 +0.123 C BRANCH 75 76 ATOM 76 CD GLU A 12 -2.483 -2.267 7.470 0.00 0.00 +0.305 C ATOM 77 OE1 GLU A 12 -1.961 -2.514 8.543 0.00 0.00 -0.251 OA BRANCH 76 78 ATOM 78 OE2 GLU A 12 -3.122 -3.220 6.766 0.00 0.00 -0.481 OA ATOM 79 HE2 GLU A 12 -3.075 -4.019 7.332 0.00 0.00 +0.295 HD ENDBRANCH 76 78 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 22 74 ENDBRANCH 19 22 ENDBRANCH 13 18 ENDBRANCH 10 11 BRANCH 10 80 ATOM 80 CB LEU A 10 5.234 -0.048 7.223 0.00 0.00 +0.034 C BRANCH 80 81 ATOM 81 CG LEU A 10 5.356 -1.477 7.796 0.00 0.00 -0.015 C ATOM 82 CD2 LEU A 10 6.392 -2.324 7.072 0.00 0.00 +0.007 C ATOM 83 CD1 LEU A 10 4.023 -2.213 7.882 0.00 0.00 +0.007 C ENDBRANCH 80 81 ENDBRANCH 10 80 ENDBRANCH 7 10 ENDBRANCH 5 6 BRANCH 5 84 ATOM 84 CB LEU A 9 7.399 -0.249 2.574 0.00 0.00 +0.034 C BRANCH 84 85 ATOM 85 CG LEU A 9 8.698 -1.020 2.921 0.00 0.00 -0.015 C ATOM 86 CD2 LEU A 9 9.027 -2.115 1.911 0.00 0.00 +0.007 C ATOM 87 CD1 LEU A 9 8.696 -1.589 4.338 0.00 0.00 +0.007 C ENDBRANCH 84 85 ENDBRANCH 5 84 ENDBRANCH 2 5 BRANCH 1 88 ATOM 88 CA LYS A 8 5.683 -1.284 -1.315 0.00 0.00 +0.159 C BRANCH 88 90 ATOM 89 C TRP A 7 5.833 0.418 -3.302 0.00 0.00 +0.234 C ATOM 90 N LYS A 8 6.246 -0.240 -2.190 0.00 0.00 -0.302 N ATOM 91 H LYS A 8 7.058 0.241 -1.802 0.00 0.00 +0.150 HD ATOM 92 O TRP A 7 6.587 1.328 -3.679 0.00 0.00 -0.274 OA BRANCH 89 93 ATOM 93 CA TRP A 7 4.571 0.042 -4.126 0.00 0.00 +0.163 C BRANCH 93 95 ATOM 94 C LEU A 6 3.333 1.579 -5.797 0.00 0.00 +0.234 C ATOM 95 N TRP A 7 4.431 1.129 -5.119 0.00 0.00 -0.302 N ATOM 96 H TRP A 7 5.290 1.368 -5.603 0.00 0.00 +0.150 HD ATOM 97 O LEU A 6 3.536 2.108 -6.891 0.00 0.00 -0.274 OA BRANCH 94 98 ATOM 98 CA LEU A 6 1.949 1.560 -5.113 0.00 0.00 +0.159 C BRANCH 98 99 ATOM 99 N LEU A 6 1.829 2.801 -4.331 0.00 0.00 -0.302 N ATOM 100 H LEU A 6 1.575 2.716 -3.346 0.00 0.00 +0.150 HD ATOM 101 C ASP A 5 1.680 4.053 -4.902 0.00 0.00 +0.234 C ATOM 102 O ASP A 5 1.619 4.236 -6.113 0.00 0.00 -0.274 OA BRANCH 101 103 ATOM 103 CA ASP A 5 1.846 5.246 -3.944 0.00 0.00 +0.169 C BRANCH 103 104 ATOM 104 N ASP A 5 1.288 5.058 -2.598 0.00 0.00 -0.302 N ATOM 105 H ASP A 5 1.726 4.369 -1.992 0.00 0.00 +0.150 HD ATOM 106 C SER A 4 -0.001 5.432 -2.301 0.00 0.00 +0.236 C ATOM 107 O SER A 4 -0.843 5.632 -3.176 0.00 0.00 -0.274 OA BRANCH 106 108 ATOM 108 CA SER A 4 -0.337 5.675 -0.807 0.00 0.00 +0.184 C BRANCH 108 109 ATOM 109 N SER A 4 -1.543 4.939 -0.428 0.00 0.00 -0.301 N ATOM 110 H SER A 4 -1.565 3.945 -0.632 0.00 0.00 +0.150 HD ATOM 111 C PHE A 3 -2.419 5.453 0.503 0.00 0.00 +0.234 C ATOM 112 O PHE A 3 -2.170 6.501 1.101 0.00 0.00 -0.274 OA BRANCH 111 113 ATOM 113 CA PHE A 3 -3.652 4.593 0.813 0.00 0.00 +0.163 C BRANCH 113 114 ATOM 114 N PHE A 3 -4.198 4.026 -0.421 0.00 0.00 -0.302 N ATOM 115 H PHE A 3 -3.667 4.107 -1.294 0.00 0.00 +0.150 HD ATOM 116 C THR A 2 -5.540 3.754 -0.536 0.00 0.00 +0.236 C ATOM 117 O THR A 2 -6.322 3.879 0.413 0.00 0.00 -0.274 OA BRANCH 116 118 ATOM 118 CA THR A 2 -6.018 3.219 -1.903 0.00 0.00 +0.187 C BRANCH 118 119 ATOM 119 N THR A 2 -7.481 3.159 -1.811 0.00 0.00 -0.301 N ATOM 120 H THR A 2 -7.857 3.341 -0.881 0.00 0.00 +0.150 HD ATOM 121 C GLU A 1 -8.248 2.424 -2.684 0.00 0.00 +0.231 C ATOM 122 O GLU A 1 -7.811 1.965 -3.732 0.00 0.00 -0.274 OA BRANCH 121 123 ATOM 123 CA GLU A 1 -9.716 2.269 -2.220 0.00 0.00 +0.138 C BRANCH 123 124 ATOM 124 N GLU A 1 -10.392 3.577 -2.333 0.00 0.00 -0.320 NA ATOM 125 H1 GLU A 1 -9.853 4.277 -1.819 0.00 0.00 +0.119 HD ATOM 126 H2 GLU A 1 -10.358 3.876 -3.311 0.00 0.00 +0.119 HD ENDBRANCH 123 124 BRANCH 123 127 ATOM 127 CB GLU A 1 -10.442 1.212 -3.058 0.00 0.00 +0.039 C BRANCH 127 128 ATOM 128 CG GLU A 1 -11.849 0.876 -2.560 0.00 0.00 +0.122 C BRANCH 128 129 ATOM 129 CD GLU A 1 -11.824 -0.003 -1.339 0.00 0.00 +0.305 C ATOM 130 OE1 GLU A 1 -11.040 0.048 -0.405 0.00 0.00 -0.251 OA BRANCH 129 131 ATOM 131 OE2 GLU A 1 -12.815 -0.917 -1.342 0.00 0.00 -0.481 OA ATOM 132 HE2 GLU A 1 -12.712 -1.388 -0.489 0.00 0.00 +0.295 HD ENDBRANCH 129 131 ENDBRANCH 128 129 ENDBRANCH 127 128 ENDBRANCH 123 127 ENDBRANCH 121 123 ENDBRANCH 118 119 BRANCH 118 133 ATOM 133 CB THR A 2 -5.477 4.035 -3.100 0.00 0.00 +0.141 C ATOM 134 CG2 THR A 2 -5.910 5.493 -3.087 0.00 0.00 +0.040 C BRANCH 133 135 ATOM 135 OG1 THR A 2 -4.040 3.962 -3.110 0.00 0.00 -0.390 OA ATOM 136 HG1 THR A 2 -3.701 4.613 -3.758 0.00 0.00 +0.210 HD ENDBRANCH 133 135 ENDBRANCH 118 133 ENDBRANCH 116 118 ENDBRANCH 113 114 BRANCH 113 137 ATOM 137 CB PHE A 3 -3.303 3.461 1.791 0.00 0.00 +0.067 C BRANCH 137 138 ATOM 138 CG PHE A 3 -3.459 3.843 3.241 0.00 0.00 -0.045 A ATOM 139 CD2 PHE A 3 -4.737 3.867 3.820 0.00 0.00 +0.004 A ATOM 140 CE2 PHE A 3 -4.900 4.205 5.162 0.00 0.00 +0.000 A ATOM 141 CZ PHE A 3 -3.783 4.513 5.942 0.00 0.00 +0.000 A ATOM 142 CE1 PHE A 3 -2.508 4.492 5.373 0.00 0.00 +0.000 A ATOM 143 CD1 PHE A 3 -2.346 4.172 4.024 0.00 0.00 +0.004 A ENDBRANCH 137 138 ENDBRANCH 113 137 ENDBRANCH 111 113 ENDBRANCH 108 109 BRANCH 108 144 ATOM 144 CB SER A 4 0.824 5.495 0.183 0.00 0.00 +0.187 C BRANCH 144 145 ATOM 145 OG SER A 4 0.491 5.822 1.531 0.00 0.00 -0.393 OA ATOM 146 H SER A 4 -0.319 6.381 1.512 0.00 0.00 +0.209 HD ENDBRANCH 144 145 ENDBRANCH 108 144 ENDBRANCH 106 108 ENDBRANCH 103 104 BRANCH 103 147 ATOM 147 CB ASP A 5 3.339 5.553 -3.812 0.00 0.00 +0.152 C BRANCH 147 148 ATOM 148 CG ASP A 5 3.967 6.030 -5.092 0.00 0.00 +0.307 C ATOM 149 OD1 ASP A 5 5.092 5.747 -5.474 0.00 0.00 -0.251 OA BRANCH 148 150 ATOM 150 OD2 ASP A 5 3.215 6.904 -5.777 0.00 0.00 -0.481 OA ATOM 151 HD2 ASP A 5 3.712 7.041 -6.613 0.00 0.00 +0.295 HD ENDBRANCH 148 150 ENDBRANCH 147 148 ENDBRANCH 103 147 ENDBRANCH 101 103 ENDBRANCH 98 99 BRANCH 98 152 ATOM 152 CB LEU A 6 0.815 1.346 -6.138 0.00 0.00 +0.034 C BRANCH 152 154 ATOM 153 CD1 LEU A 6 -0.773 -0.123 -4.811 0.00 0.00 +0.007 C ATOM 154 CG LEU A 6 -0.584 1.225 -5.511 0.00 0.00 -0.015 C ATOM 155 CD2 LEU A 6 -1.662 1.389 -6.593 0.00 0.00 +0.007 C ENDBRANCH 152 154 ENDBRANCH 98 152 ENDBRANCH 94 98 ENDBRANCH 93 95 BRANCH 93 156 ATOM 156 CB TRP A 7 4.811 -1.324 -4.783 0.00 0.00 +0.069 C BRANCH 156 157 ATOM 157 CG TRP A 7 3.804 -1.825 -5.777 0.00 0.00 -0.020 A ATOM 158 CD2 TRP A 7 2.996 -3.005 -5.656 0.00 0.00 +0.003 A ATOM 159 CE2 TRP A 7 2.274 -3.151 -6.845 0.00 0.00 +0.047 A ATOM 160 CZ2 TRP A 7 1.394 -4.215 -7.079 0.00 0.00 +0.026 A ATOM 161 CH2 TRP A 7 1.266 -5.183 -6.082 0.00 0.00 +0.002 A ATOM 162 CZ3 TRP A 7 1.983 -5.082 -4.893 0.00 0.00 +0.001 A ATOM 163 NE1 TRP A 7 2.623 -2.100 -7.656 0.00 0.00 -0.360 N ATOM 164 HE1 TRP A 7 2.280 -1.963 -8.597 0.00 0.00 +0.165 HD ATOM 165 CE3 TRP A 7 2.840 -3.998 -4.668 0.00 0.00 +0.010 A ATOM 166 CD1 TRP A 7 3.575 -1.331 -7.049 0.00 0.00 +0.087 A ENDBRANCH 156 157 ENDBRANCH 93 156 ENDBRANCH 89 93 ENDBRANCH 88 90 BRANCH 88 167 ATOM 167 CB LYS A 8 6.645 -2.489 -1.275 0.00 0.00 +0.032 C BRANCH 167 168 ATOM 168 CG LYS A 8 6.995 -3.124 -2.624 0.00 0.00 +0.003 C BRANCH 168 169 ATOM 169 CD LYS A 8 8.146 -4.131 -2.508 0.00 0.00 +0.015 C BRANCH 169 170 ATOM 170 CE LYS A 8 9.505 -3.445 -2.363 0.00 0.00 +0.077 C BRANCH 170 171 ATOM 171 NZ LYS A 8 10.552 -4.436 -2.147 0.00 0.00 -0.330 NA ATOM 172 HZ1 LYS A 8 11.443 -3.958 -2.026 0.00 0.00 +0.118 HD ATOM 173 HZ2 LYS A 8 10.652 -5.011 -2.982 0.00 0.00 +0.118 HD ENDBRANCH 170 171 ENDBRANCH 169 170 ENDBRANCH 168 169 ENDBRANCH 167 168 ENDBRANCH 88 167 ENDBRANCH 1 88 TORSDOF 73