REMARK Name = BDB046860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 3 5.748 2.517 -2.365 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C UNK A 3 5.647 3.543 -3.505 0.00 0.00 +0.237 C ATOM 3 N PRO A 4 6.613 4.506 -3.691 0.00 0.00 -0.288 N ATOM 4 CA PRO A 4 6.382 5.634 -4.605 0.00 0.00 +0.162 C ATOM 5 CB PRO A 4 7.778 6.018 -5.094 0.00 0.00 +0.033 C ATOM 6 CG PRO A 4 8.698 5.596 -3.947 0.00 0.00 +0.021 C ATOM 7 CD PRO A 4 8.031 4.331 -3.418 0.00 0.00 +0.109 C ATOM 8 O UNK A 3 4.654 3.467 -4.237 0.00 0.00 -0.274 OA BRANCH 4 9 ATOM 9 C PRO A 4 5.757 6.844 -3.836 0.00 0.00 +0.234 C ATOM 10 N SER A 5 4.415 7.056 -3.811 0.00 0.00 -0.301 N ATOM 11 H SER A 5 4.170 7.962 -3.409 0.00 0.00 +0.150 HD ATOM 12 O PRO A 4 6.434 7.596 -3.121 0.00 0.00 -0.274 OA BRANCH 10 13 ATOM 13 CA SER A 5 3.308 6.293 -4.381 0.00 0.00 +0.184 C BRANCH 13 14 ATOM 14 C SER A 5 1.982 6.711 -3.709 0.00 0.00 +0.236 C ATOM 15 N ASP A 6 1.524 5.868 -2.748 0.00 0.00 -0.302 N ATOM 16 H ASP A 6 1.872 4.893 -2.700 0.00 0.00 +0.150 HD ATOM 17 O SER A 5 1.448 7.793 -3.947 0.00 0.00 -0.274 OA BRANCH 15 18 ATOM 18 CA ASP A 6 0.159 6.027 -2.216 0.00 0.00 +0.170 C BRANCH 18 19 ATOM 19 C ASP A 6 -0.119 5.158 -0.967 0.00 0.00 +0.237 C ATOM 20 N PRO A 7 -1.095 5.604 -0.089 0.00 0.00 -0.288 N ATOM 21 CA PRO A 7 -1.343 4.938 1.173 0.00 0.00 +0.162 C ATOM 22 CB PRO A 7 -2.801 5.324 1.482 0.00 0.00 +0.033 C ATOM 23 CG PRO A 7 -2.924 6.737 0.920 0.00 0.00 +0.021 C ATOM 24 CD PRO A 7 -1.991 6.732 -0.294 0.00 0.00 +0.109 C ATOM 25 O ASP A 6 0.494 4.109 -0.765 0.00 0.00 -0.274 OA BRANCH 21 26 ATOM 26 C PRO A 7 -0.444 5.516 2.307 0.00 0.00 +0.234 C ATOM 27 N ASN A 8 0.001 4.587 3.222 0.00 0.00 -0.302 N ATOM 28 H ASN A 8 -0.308 3.626 3.139 0.00 0.00 +0.150 HD ATOM 29 O PRO A 7 -0.208 6.720 2.397 0.00 0.00 -0.274 OA BRANCH 27 30 ATOM 30 CA ASN A 8 0.605 5.048 4.473 0.00 0.00 +0.168 C BRANCH 30 31 ATOM 31 C ASN A 8 1.711 4.114 5.046 0.00 0.00 +0.234 C ATOM 32 N ARG A 9 1.333 2.786 5.093 0.00 0.00 -0.302 N ATOM 33 H ARG A 9 0.980 2.392 4.216 0.00 0.00 +0.150 HD ATOM 34 O ASN A 8 2.670 4.567 5.652 0.00 0.00 -0.274 OA BRANCH 32 35 ATOM 35 CA ARG A 9 1.852 1.800 6.055 0.00 0.00 +0.159 C BRANCH 35 36 ATOM 36 C ARG A 9 3.105 1.011 5.577 0.00 0.00 +0.234 C ATOM 37 N LYS A 10 3.323 -0.128 6.344 0.00 0.00 -0.302 N ATOM 38 H LYS A 10 2.468 -0.434 6.766 0.00 0.00 +0.150 HD ATOM 39 O ARG A 9 3.783 1.353 4.613 0.00 0.00 -0.274 OA BRANCH 37 40 ATOM 40 CA LYS A 10 4.044 -1.282 5.822 0.00 0.00 +0.159 C BRANCH 40 41 ATOM 41 C LYS A 10 4.050 -2.489 6.838 0.00 0.00 +0.237 C ATOM 42 N PRO A 11 4.003 -2.158 8.179 0.00 0.00 -0.288 N ATOM 43 CA PRO A 11 3.084 -2.889 9.053 0.00 0.00 +0.162 C ATOM 44 CB PRO A 11 3.444 -2.362 10.442 0.00 0.00 +0.033 C ATOM 45 CG PRO A 11 4.972 -2.219 10.392 0.00 0.00 +0.021 C ATOM 46 CD PRO A 11 5.281 -2.072 8.898 0.00 0.00 +0.109 C ATOM 47 O LYS A 10 4.080 -3.631 6.374 0.00 0.00 -0.274 OA BRANCH 43 48 ATOM 48 C PRO A 11 3.291 -4.439 9.015 0.00 0.00 +0.234 C ATOM 49 N ASN A 12 2.398 -5.176 8.275 0.00 0.00 -0.302 N ATOM 50 H ASN A 12 2.814 -6.107 8.183 0.00 0.00 +0.150 HD ATOM 51 O PRO A 11 4.267 -4.985 9.536 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 CA ASN A 12 0.980 -5.298 8.722 0.00 0.00 +0.168 C BRANCH 52 53 ATOM 53 C ASN A 12 0.628 -6.787 8.461 0.00 0.00 +0.234 C ATOM 54 N TYR A 13 -0.674 -7.112 8.174 0.00 0.00 -0.302 N ATOM 55 H TYR A 13 -1.263 -6.424 7.739 0.00 0.00 +0.150 HD ATOM 56 O ASN A 12 1.497 -7.663 8.630 0.00 0.00 -0.274 OA BRANCH 54 57 ATOM 57 CA TYR A 13 -1.140 -8.509 8.019 0.00 0.00 +0.163 C BRANCH 57 58 ATOM 58 C TYR A 13 -1.030 -8.920 6.527 0.00 0.00 +0.234 C ATOM 59 N UNK A 14 -1.983 -9.735 5.981 0.00 0.00 -0.301 N ATOM 60 H UNK A 14 -2.940 -9.417 6.078 0.00 0.00 +0.150 HD ATOM 61 O TYR A 13 -0.179 -8.446 5.770 0.00 0.00 -0.274 OA BRANCH 59 62 ATOM 62 C UNK A 14 -1.861 -11.190 6.138 0.00 0.00 +0.184 C BRANCH 62 63 ATOM 63 C UNK A 14 -0.483 -11.682 5.625 0.00 0.00 +0.236 C ATOM 64 N UNK A 14 -0.271 -11.593 4.270 0.00 0.00 -0.302 N ATOM 65 H UNK A 14 -0.843 -10.931 3.722 0.00 0.00 +0.150 HD ATOM 66 O UNK A 14 0.369 -12.096 6.412 0.00 0.00 -0.274 OA BRANCH 64 67 ATOM 67 C UNK A 14 0.943 -12.115 3.661 0.00 0.00 +0.159 C BRANCH 67 68 ATOM 68 C UNK A 14 0.573 -13.052 2.495 0.00 0.00 +0.231 C ATOM 69 O UNK A 14 1.013 -14.191 2.398 0.00 0.00 -0.274 OA ATOM 70 N UNK A 14 -0.249 -12.544 1.553 0.00 0.00 -0.328 N ATOM 71 H UNK A 14 -0.300 -11.546 1.390 0.00 0.00 +0.145 HD ATOM 72 H UNK A 14 -0.380 -13.120 0.723 0.00 0.00 +0.145 HD ENDBRANCH 67 68 BRANCH 67 73 ATOM 73 C UNK A 14 1.858 -10.988 3.198 0.00 0.00 +0.041 C BRANCH 73 74 ATOM 74 C UNK A 14 3.324 -11.435 3.157 0.00 0.00 +0.098 C BRANCH 74 75 ATOM 75 C UNK A 14 4.087 -10.772 2.044 0.00 0.00 +0.211 C ATOM 76 O UNK A 14 3.658 -10.645 0.898 0.00 0.00 -0.276 OA ATOM 77 N UNK A 14 5.328 -10.318 2.387 0.00 0.00 -0.329 N ATOM 78 H UNK A 14 5.519 -10.023 3.325 0.00 0.00 +0.145 HD ATOM 79 H UNK A 14 5.861 -9.895 1.649 0.00 0.00 +0.145 HD ENDBRANCH 74 75 ENDBRANCH 73 74 ENDBRANCH 67 73 ENDBRANCH 64 67 ENDBRANCH 62 63 BRANCH 62 80 ATOM 80 C UNK A 14 -2.970 -11.934 5.362 0.00 0.00 +0.187 C BRANCH 80 81 ATOM 81 O UNK A 14 -2.907 -13.339 5.568 0.00 0.00 -0.393 OA ATOM 82 H UNK A 14 -2.306 -13.700 4.897 0.00 0.00 +0.209 HD ENDBRANCH 80 81 ENDBRANCH 62 80 ENDBRANCH 59 62 ENDBRANCH 57 58 BRANCH 57 83 ATOM 83 CB TYR A 13 -2.564 -8.613 8.607 0.00 0.00 +0.067 C BRANCH 83 84 ATOM 84 CG TYR A 13 -2.701 -7.986 9.973 0.00 0.00 -0.045 A ATOM 85 CD2 TYR A 13 -3.719 -7.053 10.210 0.00 0.00 +0.007 A ATOM 86 CE2 TYR A 13 -3.775 -6.378 11.426 0.00 0.00 +0.045 A ATOM 87 CZ TYR A 13 -2.846 -6.673 12.418 0.00 0.00 +0.117 A ATOM 88 CE1 TYR A 13 -1.884 -7.668 12.232 0.00 0.00 +0.045 A ATOM 89 CD1 TYR A 13 -1.826 -8.322 11.012 0.00 0.00 +0.007 A BRANCH 87 90 ATOM 90 OH TYR A 13 -2.857 -5.977 13.587 0.00 0.00 -0.507 OA ATOM 91 HH TYR A 13 -1.933 -5.889 13.863 0.00 0.00 +0.292 HD ENDBRANCH 87 90 ENDBRANCH 83 84 ENDBRANCH 57 83 ENDBRANCH 54 57 ENDBRANCH 52 53 BRANCH 52 92 ATOM 92 CB ASN A 12 0.072 -4.322 7.951 0.00 0.00 +0.127 C BRANCH 92 93 ATOM 93 CG ASN A 12 -1.040 -3.800 8.874 0.00 0.00 +0.213 C ATOM 94 OD1 ASN A 12 -0.997 -3.844 10.087 0.00 0.00 -0.276 OA ATOM 95 ND2 ASN A 12 -2.089 -3.236 8.218 0.00 0.00 -0.329 N ATOM 96 HD21 ASN A 12 -2.443 -3.716 7.409 0.00 0.00 +0.145 HD ATOM 97 HD22 ASN A 12 -2.816 -2.998 8.885 0.00 0.00 +0.145 HD ENDBRANCH 92 93 ENDBRANCH 52 92 ENDBRANCH 49 52 ENDBRANCH 43 48 ENDBRANCH 40 41 BRANCH 40 98 ATOM 98 CB LYS A 10 5.372 -1.114 5.084 0.00 0.00 +0.032 C BRANCH 98 99 ATOM 99 CG LYS A 10 6.495 -0.366 5.792 0.00 0.00 +0.003 C BRANCH 99 100 ATOM 100 CD LYS A 10 7.850 -0.966 5.391 0.00 0.00 +0.015 C BRANCH 100 101 ATOM 101 CE LYS A 10 9.041 -0.147 5.911 0.00 0.00 +0.077 C BRANCH 101 102 ATOM 102 NZ LYS A 10 10.218 -1.016 5.966 0.00 0.00 -0.330 NA ATOM 103 HZ1 LYS A 10 10.132 -1.590 6.811 0.00 0.00 +0.118 HD ATOM 104 HZ2 LYS A 10 11.046 -0.419 6.069 0.00 0.00 +0.118 HD ENDBRANCH 101 102 ENDBRANCH 100 101 ENDBRANCH 99 100 ENDBRANCH 98 99 ENDBRANCH 40 98 ENDBRANCH 37 40 ENDBRANCH 35 36 BRANCH 35 105 ATOM 105 CB ARG A 9 2.058 2.318 7.491 0.00 0.00 +0.033 C BRANCH 105 106 ATOM 106 CG ARG A 9 1.037 1.729 8.478 0.00 0.00 +0.023 C BRANCH 106 107 ATOM 107 CD ARG A 9 1.532 1.850 9.930 0.00 0.00 +0.115 C BRANCH 107 108 ATOM 108 NE ARG A 9 0.524 1.356 10.871 0.00 0.00 -0.356 N ATOM 109 HE ARG A 9 -0.348 1.085 10.414 0.00 0.00 +0.162 HD BRANCH 108 110 ATOM 110 CZ ARG A 9 0.755 0.473 11.860 0.00 0.00 +0.188 C ATOM 111 NH1 ARG A 9 -0.117 -0.446 12.076 0.00 0.00 -0.269 NA ATOM 112 HH1 ARG A 9 0.170 -0.981 12.905 0.00 0.00 +0.190 HD BRANCH 110 113 ATOM 113 NH2 ARG A 9 1.865 0.634 12.589 0.00 0.00 -0.370 N ATOM 114 HH21 ARG A 9 2.528 1.348 12.262 0.00 0.00 +0.159 HD ATOM 115 HH22 ARG A 9 2.317 -0.194 12.952 0.00 0.00 +0.159 HD ENDBRANCH 110 113 ENDBRANCH 108 110 ENDBRANCH 107 108 ENDBRANCH 106 107 ENDBRANCH 105 106 ENDBRANCH 35 105 ENDBRANCH 32 35 ENDBRANCH 30 31 BRANCH 30 116 ATOM 116 CB ASN A 8 -0.475 5.111 5.599 0.00 0.00 +0.127 C BRANCH 116 117 ATOM 117 CG ASN A 8 -1.299 6.368 5.502 0.00 0.00 +0.213 C ATOM 118 OD1 ASN A 8 -0.848 7.498 5.544 0.00 0.00 -0.276 OA ATOM 119 ND2 ASN A 8 -2.654 6.127 5.398 0.00 0.00 -0.329 N ATOM 120 HD21 ASN A 8 -3.209 6.963 5.239 0.00 0.00 +0.145 HD ATOM 121 HD22 ASN A 8 -3.020 5.640 6.197 0.00 0.00 +0.145 HD ENDBRANCH 116 117 ENDBRANCH 30 116 ENDBRANCH 27 30 ENDBRANCH 21 26 ENDBRANCH 18 19 BRANCH 18 122 ATOM 122 CB ASP A 6 -0.960 5.768 -3.236 0.00 0.00 +0.152 C BRANCH 122 123 ATOM 123 CG ASP A 6 -0.562 4.862 -4.374 0.00 0.00 +0.307 C ATOM 124 OD1 ASP A 6 0.255 3.959 -4.340 0.00 0.00 -0.251 OA BRANCH 123 125 ATOM 125 OD2 ASP A 6 -1.249 5.157 -5.502 0.00 0.00 -0.481 OA ATOM 126 HD2 ASP A 6 -0.720 4.785 -6.254 0.00 0.00 +0.295 HD ENDBRANCH 123 125 ENDBRANCH 122 123 ENDBRANCH 18 122 ENDBRANCH 15 18 ENDBRANCH 13 14 BRANCH 13 127 ATOM 127 CB SER A 5 3.129 6.494 -5.890 0.00 0.00 +0.187 C BRANCH 127 128 ATOM 128 OG SER A 5 3.254 7.874 -6.259 0.00 0.00 -0.393 OA ATOM 129 H SER A 5 2.541 8.359 -5.807 0.00 0.00 +0.209 HD ENDBRANCH 127 128 ENDBRANCH 13 127 ENDBRANCH 10 13 ENDBRANCH 4 9 ENDBRANCH 1 2 BRANCH 1 131 ATOM 130 C ARG A 2 5.993 4.304 -0.666 0.00 0.00 +0.234 C ATOM 131 N UNK A 3 6.320 3.046 -1.107 0.00 0.00 -0.302 N ATOM 132 H UNK A 3 6.034 2.377 -0.373 0.00 0.00 +0.150 HD ATOM 133 O ARG A 2 6.887 5.105 -0.368 0.00 0.00 -0.274 OA BRANCH 130 134 ATOM 134 CA ARG A 2 4.490 4.678 -0.486 0.00 0.00 +0.159 C BRANCH 134 136 ATOM 135 C UNK A 1 3.353 6.896 -0.030 0.00 0.00 +0.234 C ATOM 136 N ARG A 2 4.437 6.152 -0.403 0.00 0.00 -0.302 N ATOM 137 H ARG A 2 5.252 6.632 -0.757 0.00 0.00 +0.150 HD ATOM 138 O UNK A 1 2.327 6.435 0.491 0.00 0.00 -0.274 OA BRANCH 135 139 ATOM 139 C UNK A 1 3.488 8.421 -0.228 0.00 0.00 +0.161 C BRANCH 139 141 ATOM 140 C UNK A 1 1.758 10.060 -1.011 0.00 0.00 +0.234 C ATOM 141 N UNK A 1 2.115 8.969 -0.267 0.00 0.00 -0.302 N ATOM 142 H UNK A 1 1.438 8.484 0.327 0.00 0.00 +0.150 HD ATOM 143 O UNK A 1 2.518 10.536 -1.868 0.00 0.00 -0.274 OA BRANCH 140 144 ATOM 144 C UNK A 1 0.300 10.581 -0.878 0.00 0.00 +0.159 C BRANCH 144 145 ATOM 145 N UNK A 1 -0.436 9.979 -1.998 0.00 0.00 -0.302 N ATOM 146 H UNK A 1 0.158 9.835 -2.811 0.00 0.00 +0.150 HD ATOM 147 C UNK A 1 -1.789 10.019 -2.195 0.00 0.00 +0.234 C ATOM 148 O UNK A 1 -2.570 10.055 -1.229 0.00 0.00 -0.274 OA BRANCH 147 149 ATOM 149 C UNK A 1 -2.328 9.897 -3.650 0.00 0.00 +0.159 C BRANCH 149 150 ATOM 150 N UNK A 1 -3.156 8.671 -3.764 0.00 0.00 -0.302 N ATOM 151 H UNK A 1 -3.102 8.016 -3.008 0.00 0.00 +0.150 HD ATOM 152 C UNK A 1 -4.214 8.608 -4.615 0.00 0.00 +0.236 C ATOM 153 O UNK A 1 -4.645 9.575 -5.243 0.00 0.00 -0.274 OA BRANCH 152 154 ATOM 154 C UNK A 1 -4.767 7.180 -4.880 0.00 0.00 +0.184 C BRANCH 154 155 ATOM 155 N UNK A 1 -4.824 7.062 -6.363 0.00 0.00 -0.301 N ATOM 156 H UNK A 1 -4.976 7.964 -6.775 0.00 0.00 +0.150 HD ATOM 157 C UNK A 1 -5.718 6.215 -6.960 0.00 0.00 +0.234 C ATOM 158 O UNK A 1 -6.562 6.737 -7.694 0.00 0.00 -0.274 OA BRANCH 157 159 ATOM 159 C UNK A 1 -5.454 4.677 -6.908 0.00 0.00 +0.159 C BRANCH 159 160 ATOM 160 N UNK A 1 -6.524 3.775 -6.486 0.00 0.00 -0.303 N ATOM 161 H UNK A 1 -6.254 2.791 -6.349 0.00 0.00 +0.149 HD ATOM 162 C UNK A 1 -7.803 3.818 -7.004 0.00 0.00 +0.231 C ATOM 163 O UNK A 1 -8.379 4.851 -7.346 0.00 0.00 -0.274 OA BRANCH 162 164 ATOM 164 C UNK A 1 -8.533 2.473 -7.064 0.00 0.00 +0.140 C ATOM 165 N UNK A 1 -7.580 1.344 -7.033 0.00 0.00 -0.306 NA ATOM 166 H UNK A 1 -7.341 1.086 -7.997 0.00 0.00 +0.123 HD ATOM 167 C UNK A 1 -8.277 0.234 -6.362 0.00 0.00 +0.081 C ATOM 168 C UNK A 1 -9.599 0.781 -5.842 0.00 0.00 +0.017 C ATOM 169 C UNK A 1 -9.382 2.271 -5.820 0.00 0.00 +0.029 C ENDBRANCH 162 164 ENDBRANCH 159 160 BRANCH 159 170 ATOM 170 C UNK A 1 -5.026 4.368 -8.371 0.00 0.00 +0.033 C BRANCH 170 171 ATOM 171 C UNK A 1 -4.385 2.985 -8.616 0.00 0.00 +0.023 C BRANCH 171 172 ATOM 172 C UNK A 1 -4.101 2.859 -10.130 0.00 0.00 +0.115 C BRANCH 172 173 ATOM 173 N UNK A 1 -3.505 1.575 -10.486 0.00 0.00 -0.356 N ATOM 174 H UNK A 1 -2.573 1.460 -10.149 0.00 0.00 +0.162 HD BRANCH 173 175 ATOM 175 C UNK A 1 -3.810 1.071 -11.711 0.00 0.00 +0.188 C ATOM 176 N UNK A 1 -4.949 1.197 -12.313 0.00 0.00 -0.269 NA ATOM 177 H UNK A 1 -4.871 0.711 -13.208 0.00 0.00 +0.190 HD BRANCH 175 178 ATOM 178 N UNK A 1 -2.866 0.291 -12.252 0.00 0.00 -0.370 N ATOM 179 H UNK A 1 -2.872 -0.637 -11.789 0.00 0.00 +0.159 HD ATOM 180 H UNK A 1 -1.950 0.612 -12.023 0.00 0.00 +0.159 HD ENDBRANCH 175 178 ENDBRANCH 173 175 ENDBRANCH 172 173 ENDBRANCH 171 172 ENDBRANCH 170 171 ENDBRANCH 159 170 ENDBRANCH 157 159 ENDBRANCH 154 155 BRANCH 154 181 ATOM 181 C UNK A 1 -6.142 7.131 -4.213 0.00 0.00 +0.187 C BRANCH 181 182 ATOM 182 O UNK A 1 -6.459 5.774 -3.919 0.00 0.00 -0.393 OA ATOM 183 H UNK A 1 -7.416 5.670 -4.082 0.00 0.00 +0.209 HD ENDBRANCH 181 182 ENDBRANCH 154 181 ENDBRANCH 152 154 ENDBRANCH 149 150 BRANCH 149 184 ATOM 184 C UNK A 1 -1.228 9.878 -4.726 0.00 0.00 +0.033 C BRANCH 184 185 ATOM 185 C UNK A 1 -1.754 10.025 -6.153 0.00 0.00 +0.019 C BRANCH 185 186 ATOM 186 C UNK A 1 -0.646 10.297 -7.164 0.00 0.00 +0.098 C BRANCH 186 187 ATOM 187 N UNK A 1 -1.227 10.554 -8.477 0.00 0.00 -0.259 NA ATOM 188 H UNK A 1 -2.142 11.022 -8.390 0.00 0.00 +0.140 HD BRANCH 187 189 ATOM 189 N UNK A 1 -0.297 11.317 -9.270 0.00 0.00 -0.270 NA ATOM 190 H UNK A 1 -0.469 12.332 -9.177 0.00 0.00 +0.137 HD ATOM 191 H UNK A 1 -0.367 11.052 -10.251 0.00 0.00 +0.137 HD ENDBRANCH 187 189 ENDBRANCH 186 187 ENDBRANCH 185 186 ENDBRANCH 184 185 ENDBRANCH 149 184 ENDBRANCH 147 149 ENDBRANCH 144 145 BRANCH 144 192 ATOM 192 C UNK A 1 -0.255 10.436 0.548 0.00 0.00 +0.034 C BRANCH 192 194 ATOM 193 C UNK A 1 -0.231 12.911 1.182 0.00 0.00 +0.007 C ATOM 194 C UNK A 1 -1.069 11.639 1.064 0.00 0.00 -0.015 C ATOM 195 C UNK A 1 -1.646 11.295 2.441 0.00 0.00 +0.007 C ENDBRANCH 192 194 ENDBRANCH 144 192 ENDBRANCH 140 144 ENDBRANCH 139 141 BRANCH 139 196 ATOM 196 C UNK A 1 4.306 9.039 0.935 0.00 0.00 +0.012 C ATOM 197 C UNK A 1 5.800 8.710 0.827 0.00 0.00 +0.009 C ATOM 198 C UNK A 1 4.179 10.569 1.037 0.00 0.00 +0.009 C ENDBRANCH 139 196 ENDBRANCH 135 139 ENDBRANCH 134 136 BRANCH 134 199 ATOM 199 CB ARG A 2 3.929 3.888 0.715 0.00 0.00 +0.033 C BRANCH 199 200 ATOM 200 CG ARG A 2 3.216 2.626 0.218 0.00 0.00 +0.023 C BRANCH 200 201 ATOM 201 CD ARG A 2 2.206 2.142 1.247 0.00 0.00 +0.115 C BRANCH 201 202 ATOM 202 NE ARG A 2 1.151 1.347 0.582 0.00 0.00 -0.356 N ATOM 203 HE ARG A 2 0.837 1.887 -0.258 0.00 0.00 +0.162 HD BRANCH 202 204 ATOM 204 CZ ARG A 2 0.114 0.847 1.286 0.00 0.00 +0.188 C ATOM 205 NH1 ARG A 2 -1.126 0.888 0.923 0.00 0.00 -0.269 NA ATOM 206 HH1 ARG A 2 -1.187 1.448 0.055 0.00 0.00 +0.190 HD BRANCH 204 207 ATOM 207 NH2 ARG A 2 0.435 0.225 2.423 0.00 0.00 -0.370 N ATOM 208 HH21 ARG A 2 1.230 -0.402 2.308 0.00 0.00 +0.159 HD ATOM 209 HH22 ARG A 2 -0.366 -0.259 2.811 0.00 0.00 +0.159 HD ENDBRANCH 204 207 ENDBRANCH 202 204 ENDBRANCH 201 202 ENDBRANCH 200 201 ENDBRANCH 199 200 ENDBRANCH 134 199 ENDBRANCH 130 134 ENDBRANCH 1 131 BRANCH 1 210 ATOM 210 C UNK A 3 6.527 1.275 -2.797 0.00 0.00 +0.032 C BRANCH 210 211 ATOM 211 C UNK A 3 5.859 0.517 -3.956 0.00 0.00 +0.004 C BRANCH 211 212 ATOM 212 C UNK A 3 6.512 -0.848 -4.168 0.00 0.00 +0.019 C BRANCH 212 213 ATOM 213 C UNK A 3 6.027 -1.510 -5.457 0.00 0.00 +0.104 C BRANCH 213 214 ATOM 214 N UNK A 3 5.219 -2.704 -5.239 0.00 0.00 -0.314 N ATOM 215 H UNK A 3 4.213 -2.566 -5.385 0.00 0.00 +0.149 HD ATOM 216 C UNK A 3 5.755 -3.891 -4.834 0.00 0.00 +0.233 C ATOM 217 O UNK A 3 6.934 -3.998 -4.471 0.00 0.00 -0.274 OA BRANCH 216 218 ATOM 218 C UNK A 3 4.863 -5.160 -5.027 0.00 0.00 +0.159 C BRANCH 218 219 ATOM 219 N UNK A 3 3.443 -4.989 -4.688 0.00 0.00 -0.302 N ATOM 220 H UNK A 3 3.055 -4.043 -4.723 0.00 0.00 +0.150 HD ATOM 221 C UNK A 3 2.680 -5.994 -4.141 0.00 0.00 +0.234 C ATOM 222 O UNK A 3 3.135 -7.108 -3.878 0.00 0.00 -0.274 OA BRANCH 221 223 ATOM 223 C UNK A 3 1.167 -5.660 -4.023 0.00 0.00 +0.159 C BRANCH 223 224 ATOM 224 N UNK A 3 0.605 -5.419 -5.373 0.00 0.00 -0.302 N ATOM 225 H UNK A 3 0.096 -6.259 -5.617 0.00 0.00 +0.150 HD ATOM 226 C UNK A 3 -0.261 -4.365 -5.536 0.00 0.00 +0.234 C ATOM 227 O UNK A 3 -1.483 -4.532 -5.430 0.00 0.00 -0.274 OA BRANCH 226 228 ATOM 228 C UNK A 3 0.359 -2.941 -5.687 0.00 0.00 +0.159 C BRANCH 228 229 ATOM 229 N UNK A 3 0.740 -2.370 -4.369 0.00 0.00 -0.302 N ATOM 230 H UNK A 3 0.034 -2.462 -3.655 0.00 0.00 +0.150 HD ATOM 231 C UNK A 3 1.874 -1.625 -4.099 0.00 0.00 +0.234 C ATOM 232 O UNK A 3 2.829 -1.603 -4.861 0.00 0.00 -0.274 OA BRANCH 231 233 ATOM 233 C UNK A 3 1.950 -0.950 -2.707 0.00 0.00 +0.159 C BRANCH 233 234 ATOM 234 N UNK A 3 0.680 -0.732 -1.988 0.00 0.00 -0.302 N ATOM 235 H UNK A 3 0.987 -0.445 -1.058 0.00 0.00 +0.150 HD ATOM 236 C UNK A 3 -0.108 0.311 -2.413 0.00 0.00 +0.234 C ATOM 237 O UNK A 3 0.219 1.470 -2.178 0.00 0.00 -0.274 OA BRANCH 236 238 ATOM 238 C UNK A 3 -1.520 -0.119 -2.907 0.00 0.00 +0.159 C BRANCH 238 239 ATOM 239 N UNK A 3 -2.182 -0.663 -1.719 0.00 0.00 -0.302 N ATOM 240 H UNK A 3 -1.914 -0.383 -0.786 0.00 0.00 +0.150 HD ATOM 241 C UNK A 3 -2.931 -1.811 -1.835 0.00 0.00 +0.234 C ATOM 242 O UNK A 3 -3.551 -2.118 -2.855 0.00 0.00 -0.274 OA BRANCH 241 243 ATOM 243 C UNK A 3 -2.751 -2.822 -0.661 0.00 0.00 +0.159 C BRANCH 243 244 ATOM 244 N UNK A 3 -3.349 -2.357 0.575 0.00 0.00 -0.302 N ATOM 245 H UNK A 3 -2.757 -2.393 1.394 0.00 0.00 +0.150 HD ATOM 246 C UNK A 3 -4.676 -2.660 0.720 0.00 0.00 +0.234 C ATOM 247 O UNK A 3 -5.529 -2.247 -0.048 0.00 0.00 -0.274 OA BRANCH 246 248 ATOM 248 C UNK A 3 -5.115 -3.487 1.978 0.00 0.00 +0.159 C BRANCH 248 249 ATOM 249 N UNK A 3 -5.969 -2.623 2.793 0.00 0.00 -0.303 N ATOM 250 H UNK A 3 -6.322 -1.848 2.261 0.00 0.00 +0.149 HD ATOM 251 C UNK A 3 -6.804 -3.178 3.725 0.00 0.00 +0.230 C ATOM 252 O UNK A 3 -6.508 -4.175 4.372 0.00 0.00 -0.274 OA BRANCH 251 253 ATOM 253 C UNK A 3 -8.147 -2.441 3.887 0.00 0.00 +0.138 C BRANCH 253 254 ATOM 254 N UNK A 3 -9.214 -3.479 3.969 0.00 0.00 -0.320 NA ATOM 255 H UNK A 3 -9.248 -3.948 3.053 0.00 0.00 +0.119 HD ATOM 256 H UNK A 3 -10.125 -3.024 4.066 0.00 0.00 +0.119 HD ENDBRANCH 253 254 BRANCH 253 257 ATOM 257 C UNK A 3 -8.083 -1.558 5.143 0.00 0.00 +0.029 C BRANCH 257 258 ATOM 258 C UNK A 3 -9.443 -1.018 5.681 0.00 0.00 +0.023 C BRANCH 258 259 ATOM 259 C UNK A 3 -10.339 -0.361 4.648 0.00 0.00 +0.115 C BRANCH 259 260 ATOM 260 N UNK A 3 -10.220 1.115 4.665 0.00 0.00 -0.356 N ATOM 261 H UNK A 3 -11.106 1.417 4.278 0.00 0.00 +0.162 HD BRANCH 260 262 ATOM 262 C UNK A 3 -9.312 1.646 3.793 0.00 0.00 +0.188 C ATOM 263 N UNK A 3 -9.540 1.712 2.535 0.00 0.00 -0.269 NA ATOM 264 H UNK A 3 -8.686 2.116 2.116 0.00 0.00 +0.190 HD BRANCH 262 265 ATOM 265 N UNK A 3 -8.184 2.029 4.414 0.00 0.00 -0.370 N ATOM 266 H UNK A 3 -8.395 2.944 4.826 0.00 0.00 +0.159 HD ATOM 267 H UNK A 3 -8.064 1.470 5.254 0.00 0.00 +0.159 HD ENDBRANCH 262 265 ENDBRANCH 260 262 ENDBRANCH 259 260 ENDBRANCH 258 259 ENDBRANCH 257 258 ENDBRANCH 253 257 ENDBRANCH 251 253 ENDBRANCH 248 249 BRANCH 248 268 ATOM 268 C UNK A 3 -3.982 -4.188 2.732 0.00 0.00 +0.033 C BRANCH 268 269 ATOM 269 C UNK A 3 -4.234 -5.684 2.970 0.00 0.00 +0.023 C BRANCH 269 270 ATOM 270 C UNK A 3 -2.917 -6.505 2.945 0.00 0.00 +0.115 C BRANCH 270 271 ATOM 271 N UNK A 3 -1.843 -5.831 3.698 0.00 0.00 -0.356 N ATOM 272 H UNK A 3 -2.106 -5.735 4.660 0.00 0.00 +0.162 HD BRANCH 271 273 ATOM 273 C UNK A 3 -0.586 -6.320 3.569 0.00 0.00 +0.188 C ATOM 274 N UNK A 3 -0.214 -7.089 2.619 0.00 0.00 -0.269 NA ATOM 275 H UNK A 3 0.756 -7.355 2.782 0.00 0.00 +0.190 HD BRANCH 273 276 ATOM 276 N UNK A 3 0.188 -5.957 4.600 0.00 0.00 -0.370 N ATOM 277 H UNK A 3 0.170 -4.995 4.891 0.00 0.00 +0.159 HD ATOM 278 H UNK A 3 1.103 -6.360 4.651 0.00 0.00 +0.159 HD ENDBRANCH 273 276 ENDBRANCH 271 273 ENDBRANCH 270 271 ENDBRANCH 269 270 ENDBRANCH 268 269 ENDBRANCH 248 268 ENDBRANCH 246 248 ENDBRANCH 243 244 BRANCH 243 279 ATOM 279 C UNK A 3 -1.254 -3.171 -0.505 0.00 0.00 +0.033 C BRANCH 279 280 ATOM 280 C UNK A 3 -1.016 -4.521 0.185 0.00 0.00 +0.023 C BRANCH 280 281 ATOM 281 C UNK A 3 0.431 -5.012 -0.007 0.00 0.00 +0.115 C BRANCH 281 282 ATOM 282 N UNK A 3 1.264 -4.596 1.114 0.00 0.00 -0.356 N ATOM 283 H UNK A 3 0.919 -3.811 1.641 0.00 0.00 +0.162 HD BRANCH 282 284 ATOM 284 C UNK A 3 2.602 -4.742 1.097 0.00 0.00 +0.188 C ATOM 285 N UNK A 3 3.263 -4.977 0.041 0.00 0.00 -0.269 NA ATOM 286 H UNK A 3 4.257 -4.987 0.272 0.00 0.00 +0.190 HD BRANCH 284 287 ATOM 287 N UNK A 3 3.118 -4.509 2.316 0.00 0.00 -0.370 N ATOM 288 H UNK A 3 4.089 -4.760 2.408 0.00 0.00 +0.159 HD ATOM 289 H UNK A 3 2.558 -4.939 3.047 0.00 0.00 +0.159 HD ENDBRANCH 284 287 ENDBRANCH 282 284 ENDBRANCH 281 282 ENDBRANCH 280 281 ENDBRANCH 279 280 ENDBRANCH 243 279 ENDBRANCH 241 243 ENDBRANCH 238 239 BRANCH 238 290 ATOM 290 C UNK A 3 -2.342 0.986 -3.559 0.00 0.00 +0.033 C BRANCH 290 291 ATOM 291 C UNK A 3 -2.488 0.762 -5.075 0.00 0.00 +0.023 C BRANCH 291 292 ATOM 292 C UNK A 3 -1.208 1.022 -5.858 0.00 0.00 +0.115 C BRANCH 292 293 ATOM 293 N UNK A 3 -1.342 2.244 -6.627 0.00 0.00 -0.356 N ATOM 294 H UNK A 3 -1.752 2.978 -6.032 0.00 0.00 +0.162 HD BRANCH 293 295 ATOM 295 C UNK A 3 -0.248 2.698 -7.300 0.00 0.00 +0.188 C ATOM 296 N UNK A 3 0.806 2.014 -7.509 0.00 0.00 -0.269 NA ATOM 297 H UNK A 3 1.487 2.604 -7.988 0.00 0.00 +0.190 HD BRANCH 295 298 ATOM 298 N UNK A 3 -0.453 3.922 -7.815 0.00 0.00 -0.370 N ATOM 299 H UNK A 3 0.180 4.146 -8.578 0.00 0.00 +0.159 HD ATOM 300 H UNK A 3 -1.408 4.032 -8.182 0.00 0.00 +0.159 HD ENDBRANCH 295 298 ENDBRANCH 293 295 ENDBRANCH 292 293 ENDBRANCH 291 292 ENDBRANCH 290 291 ENDBRANCH 238 290 ENDBRANCH 236 238 ENDBRANCH 233 234 BRANCH 233 301 ATOM 301 C UNK A 3 2.912 -1.793 -1.847 0.00 0.00 +0.033 C BRANCH 301 302 ATOM 302 C UNK A 3 3.716 -0.944 -0.841 0.00 0.00 +0.023 C BRANCH 302 303 ATOM 303 C UNK A 3 4.643 -1.785 0.056 0.00 0.00 +0.115 C BRANCH 303 304 ATOM 304 N UNK A 3 5.285 -0.976 1.108 0.00 0.00 -0.356 N ATOM 305 H UNK A 3 4.620 -0.277 1.423 0.00 0.00 +0.162 HD BRANCH 304 306 ATOM 306 C UNK A 3 6.432 -0.321 0.823 0.00 0.00 +0.188 C ATOM 307 N UNK A 3 6.489 0.941 0.664 0.00 0.00 -0.269 NA ATOM 308 H UNK A 3 7.458 1.220 0.414 0.00 0.00 +0.190 HD BRANCH 306 309 ATOM 309 N UNK A 3 7.491 -1.113 0.508 0.00 0.00 -0.370 N ATOM 310 H UNK A 3 7.769 -1.732 1.286 0.00 0.00 +0.159 HD ATOM 311 H UNK A 3 8.305 -0.576 0.188 0.00 0.00 +0.159 HD ENDBRANCH 306 309 ENDBRANCH 304 306 ENDBRANCH 303 304 ENDBRANCH 302 303 ENDBRANCH 301 302 ENDBRANCH 233 301 ENDBRANCH 231 233 ENDBRANCH 228 229 BRANCH 228 312 ATOM 312 C UNK A 3 1.428 -2.858 -6.797 0.00 0.00 +0.033 C BRANCH 312 313 ATOM 313 C UNK A 3 1.125 -3.494 -8.165 0.00 0.00 +0.023 C BRANCH 313 314 ATOM 314 C UNK A 3 -0.160 -3.071 -8.865 0.00 0.00 +0.115 C BRANCH 314 315 ATOM 315 N UNK A 3 -1.272 -3.836 -8.367 0.00 0.00 -0.356 N ATOM 316 H UNK A 3 -1.107 -4.840 -8.306 0.00 0.00 +0.162 HD BRANCH 315 317 ATOM 317 C UNK A 3 -2.553 -3.435 -8.508 0.00 0.00 +0.188 C ATOM 318 N UNK A 3 -2.910 -2.372 -9.160 0.00 0.00 -0.269 NA ATOM 319 H UNK A 3 -3.912 -2.278 -8.978 0.00 0.00 +0.190 HD BRANCH 317 320 ATOM 320 N UNK A 3 -3.395 -4.108 -7.718 0.00 0.00 -0.370 N ATOM 321 H UNK A 3 -4.392 -3.996 -7.801 0.00 0.00 +0.159 HD ATOM 322 H UNK A 3 -3.088 -4.984 -7.298 0.00 0.00 +0.159 HD ENDBRANCH 317 320 ENDBRANCH 315 317 ENDBRANCH 314 315 ENDBRANCH 313 314 ENDBRANCH 312 313 ENDBRANCH 228 312 ENDBRANCH 226 228 ENDBRANCH 223 224 BRANCH 223 323 ATOM 323 C UNK A 3 0.449 -6.791 -3.258 0.00 0.00 +0.033 C BRANCH 323 324 ATOM 324 C UNK A 3 -1.071 -6.630 -3.155 0.00 0.00 +0.023 C BRANCH 324 325 ATOM 325 C UNK A 3 -1.676 -7.556 -2.093 0.00 0.00 +0.115 C BRANCH 325 326 ATOM 326 N UNK A 3 -3.146 -7.564 -2.011 0.00 0.00 -0.356 N ATOM 327 H UNK A 3 -3.555 -8.453 -2.286 0.00 0.00 +0.162 HD BRANCH 326 328 ATOM 328 C UNK A 3 -3.967 -6.539 -2.336 0.00 0.00 +0.188 C ATOM 329 N UNK A 3 -3.616 -5.375 -2.684 0.00 0.00 -0.269 NA ATOM 330 H UNK A 3 -4.405 -4.754 -2.911 0.00 0.00 +0.190 HD BRANCH 328 331 ATOM 331 N UNK A 3 -5.271 -6.910 -2.205 0.00 0.00 -0.370 N ATOM 332 H UNK A 3 -5.883 -6.184 -2.555 0.00 0.00 +0.159 HD ATOM 333 H UNK A 3 -5.534 -7.036 -1.243 0.00 0.00 +0.159 HD ENDBRANCH 328 331 ENDBRANCH 326 328 ENDBRANCH 325 326 ENDBRANCH 324 325 ENDBRANCH 323 324 ENDBRANCH 223 323 ENDBRANCH 221 223 ENDBRANCH 218 219 BRANCH 218 334 ATOM 334 C UNK A 3 5.033 -5.597 -6.490 0.00 0.00 +0.033 C BRANCH 334 335 ATOM 335 C UNK A 3 4.649 -7.056 -6.759 0.00 0.00 +0.023 C BRANCH 335 336 ATOM 336 C UNK A 3 3.152 -7.261 -7.125 0.00 0.00 +0.115 C BRANCH 336 337 ATOM 337 N UNK A 3 2.614 -8.433 -6.418 0.00 0.00 -0.356 N ATOM 338 H UNK A 3 2.930 -8.424 -5.449 0.00 0.00 +0.162 HD BRANCH 337 339 ATOM 339 C UNK A 3 1.328 -8.822 -6.558 0.00 0.00 +0.188 C ATOM 340 N UNK A 3 0.495 -8.265 -7.357 0.00 0.00 -0.269 NA ATOM 341 H UNK A 3 -0.400 -8.752 -7.302 0.00 0.00 +0.190 HD BRANCH 339 342 ATOM 342 N UNK A 3 1.060 -9.928 -5.837 0.00 0.00 -0.370 N ATOM 343 H UNK A 3 1.917 -10.305 -5.442 0.00 0.00 +0.159 HD ATOM 344 H UNK A 3 0.648 -10.656 -6.417 0.00 0.00 +0.159 HD ENDBRANCH 339 342 ENDBRANCH 337 339 ENDBRANCH 336 337 ENDBRANCH 335 336 ENDBRANCH 334 335 ENDBRANCH 218 334 ENDBRANCH 216 218 ENDBRANCH 213 214 ENDBRANCH 212 213 ENDBRANCH 211 212 ENDBRANCH 210 211 ENDBRANCH 1 210 TORSDOF 155