REMARK Name = BDB050030 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LYS A 8 2.146 2.677 -3.470 0.00 0.00 +0.159 C ENDROOT BRANCH 1 2 ATOM 2 C LYS A 8 2.849 3.867 -4.179 0.00 0.00 +0.234 C ATOM 3 N GLY A 9 2.305 4.231 -5.382 0.00 0.00 -0.305 N ATOM 4 H GLY A 9 2.466 5.231 -5.521 0.00 0.00 +0.149 HD ATOM 5 O LYS A 8 3.818 4.428 -3.704 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA GLY A 9 1.506 3.481 -6.343 0.00 0.00 +0.200 C BRANCH 6 7 ATOM 7 C GLY A 9 2.098 2.121 -6.826 0.00 0.00 +0.231 C ATOM 8 N LEU A 10 1.254 1.191 -7.187 0.00 0.00 -0.303 N ATOM 9 H LEU A 10 0.706 1.458 -8.014 0.00 0.00 +0.149 HD ATOM 10 O GLY A 9 3.358 1.972 -6.903 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA LEU A 10 0.499 0.286 -6.284 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 C LEU A 10 0.541 -1.234 -6.739 0.00 0.00 +0.234 C ATOM 13 N GLY A 11 1.452 -2.018 -6.042 0.00 0.00 -0.305 N ATOM 14 H GLY A 11 2.407 -1.655 -5.863 0.00 0.00 +0.149 HD ATOM 15 O LEU A 10 -0.205 -1.662 -7.614 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA GLY A 11 1.133 -3.391 -5.782 0.00 0.00 +0.200 C BRANCH 16 17 ATOM 17 C GLY A 11 0.420 -3.546 -4.414 0.00 0.00 +0.231 C ATOM 18 N LYS A 12 1.235 -3.363 -3.296 0.00 0.00 -0.303 N ATOM 19 H LYS A 12 2.231 -3.249 -3.331 0.00 0.00 +0.149 HD ATOM 20 O GLY A 11 -0.768 -3.832 -4.277 0.00 0.00 -0.274 OA BRANCH 18 21 ATOM 21 CA LYS A 12 0.696 -3.915 -2.045 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 C LYS A 12 -0.362 -2.857 -1.448 0.00 0.00 +0.234 C ATOM 23 N GLY A 13 -1.161 -3.292 -0.375 0.00 0.00 -0.305 N ATOM 24 H GLY A 13 -0.585 -3.672 0.317 0.00 0.00 +0.149 HD ATOM 25 O LYS A 12 -0.695 -1.902 -2.147 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 CA GLY A 13 -2.097 -2.297 0.112 0.00 0.00 +0.200 C BRANCH 26 27 ATOM 27 C GLY A 13 -1.547 -1.476 1.300 0.00 0.00 +0.231 C ATOM 28 N GLY A 14 -1.448 -2.245 2.464 0.00 0.00 -0.305 N ATOM 29 H GLY A 14 -0.727 -1.856 3.066 0.00 0.00 +0.149 HD ATOM 30 O GLY A 13 -1.143 -0.313 1.173 0.00 0.00 -0.274 OA BRANCH 28 31 ATOM 31 CA GLY A 14 -2.742 -2.288 3.259 0.00 0.00 +0.200 C BRANCH 31 32 ATOM 32 C GLY A 14 -2.406 -1.549 4.631 0.00 0.00 +0.231 C ATOM 33 N ALA A 15 -3.415 -0.845 5.222 0.00 0.00 -0.303 N ATOM 34 H ALA A 15 -3.036 -0.018 5.693 0.00 0.00 +0.149 HD ATOM 35 O GLY A 14 -1.255 -1.603 5.102 0.00 0.00 -0.274 OA BRANCH 33 36 ATOM 36 CA ALA A 15 -4.830 -1.187 5.564 0.00 0.00 +0.156 C ATOM 37 CB ALA A 15 -5.041 -1.104 7.098 0.00 0.00 +0.038 C BRANCH 36 38 ATOM 38 C ALA A 15 -5.762 -0.150 4.920 0.00 0.00 +0.234 C ATOM 39 N LYS A 16 -5.840 -0.315 3.563 0.00 0.00 -0.302 N ATOM 40 H LYS A 16 -6.156 -1.220 3.251 0.00 0.00 +0.150 HD ATOM 41 O ALA A 15 -6.115 0.882 5.514 0.00 0.00 -0.274 OA BRANCH 39 42 ATOM 42 CA LYS A 16 -6.161 0.849 2.739 0.00 0.00 +0.159 C BRANCH 42 43 ATOM 43 C LYS A 16 -7.696 1.216 2.921 0.00 0.00 +0.234 C ATOM 44 N ARG A 17 -7.877 2.397 2.277 0.00 0.00 -0.302 N ATOM 45 H ARG A 17 -7.547 3.079 3.007 0.00 0.00 +0.150 HD ATOM 46 O LYS A 16 -8.589 0.406 3.131 0.00 0.00 -0.274 OA BRANCH 44 47 ATOM 47 CA ARG A 17 -9.147 2.930 1.685 0.00 0.00 +0.159 C BRANCH 47 48 ATOM 48 C ARG A 17 -9.765 1.968 0.589 0.00 0.00 +0.234 C ATOM 49 N HIS A 18 -9.059 0.813 0.398 0.00 0.00 -0.302 N ATOM 50 H HIS A 18 -8.192 1.052 -0.111 0.00 0.00 +0.150 HD ATOM 51 O ARG A 17 -10.928 2.176 0.211 0.00 0.00 -0.274 OA BRANCH 49 52 ATOM 52 CA HIS A 18 -9.671 -0.441 0.027 0.00 0.00 +0.165 C BRANCH 52 53 ATOM 53 C HIS A 18 -9.358 -0.779 -1.488 0.00 0.00 +0.234 C ATOM 54 N ARG A 19 -7.955 -0.910 -1.734 0.00 0.00 -0.302 N ATOM 55 H ARG A 19 -7.711 -0.071 -2.329 0.00 0.00 +0.150 HD ATOM 56 O HIS A 18 -10.189 -1.086 -2.355 0.00 0.00 -0.274 OA BRANCH 54 57 ATOM 57 CA ARG A 19 -7.411 -2.169 -2.239 0.00 0.00 +0.159 C BRANCH 57 58 ATOM 58 C ARG A 19 -8.035 -2.727 -3.633 0.00 0.00 +0.234 C ATOM 59 N LYS A 20 -7.262 -2.391 -4.743 0.00 0.00 -0.301 N ATOM 60 H LYS A 20 -6.447 -1.804 -4.500 0.00 0.00 +0.150 HD ATOM 61 O ARG A 19 -9.055 -3.419 -3.618 0.00 0.00 -0.274 OA BRANCH 59 62 ATOM 62 CA LYS A 20 -6.886 -3.547 -5.574 0.00 0.00 +0.182 C BRANCH 62 63 ATOM 63 C LYS A 20 -6.546 -4.862 -4.764 0.00 0.00 +0.325 C ATOM 64 O LYS A 20 -5.621 -4.913 -3.946 0.00 0.00 -0.249 OA BRANCH 63 65 ATOM 65 OXT LYS A 20 -7.521 -5.711 -4.883 0.00 0.00 -0.479 OA ATOM 66 HXT LYS A 20 -7.143 -6.651 -4.920 0.00 0.00 +0.295 HD ENDBRANCH 63 65 ENDBRANCH 62 63 BRANCH 62 67 ATOM 67 CB LYS A 20 -5.533 -3.184 -6.257 0.00 0.00 +0.034 C BRANCH 67 68 ATOM 68 CG LYS A 20 -5.472 -3.383 -7.761 0.00 0.00 +0.004 C BRANCH 68 69 ATOM 69 CD LYS A 20 -4.815 -2.188 -8.439 0.00 0.00 +0.015 C BRANCH 69 70 ATOM 70 CE LYS A 20 -5.691 -0.917 -8.401 0.00 0.00 +0.077 C BRANCH 70 71 ATOM 71 NZ LYS A 20 -6.796 -0.983 -9.343 0.00 0.00 -0.330 NA ATOM 72 HZ1 LYS A 20 -7.561 -1.514 -8.932 0.00 0.00 +0.118 HD ATOM 73 HZ2 LYS A 20 -7.136 -0.054 -9.492 0.00 0.00 +0.118 HD ENDBRANCH 70 71 ENDBRANCH 69 70 ENDBRANCH 68 69 ENDBRANCH 67 68 ENDBRANCH 62 67 ENDBRANCH 59 62 ENDBRANCH 57 58 BRANCH 57 74 ATOM 74 CB ARG A 19 -7.477 -3.331 -1.137 0.00 0.00 +0.033 C BRANCH 74 75 ATOM 75 CG ARG A 19 -6.175 -3.619 -0.396 0.00 0.00 +0.023 C BRANCH 75 76 ATOM 76 CD ARG A 19 -6.490 -4.089 1.047 0.00 0.00 +0.115 C BRANCH 76 77 ATOM 77 NE ARG A 19 -5.341 -4.596 1.834 0.00 0.00 -0.356 N ATOM 78 HE ARG A 19 -4.489 -4.391 1.347 0.00 0.00 +0.162 HD BRANCH 77 79 ATOM 79 CZ ARG A 19 -5.423 -5.955 2.164 0.00 0.00 +0.188 C ATOM 80 NH1 ARG A 19 -4.626 -6.917 1.731 0.00 0.00 -0.269 NA ATOM 81 HH1 ARG A 19 -4.910 -7.806 2.228 0.00 0.00 +0.190 HD BRANCH 79 82 ATOM 82 NH2 ARG A 19 -6.440 -5.937 3.051 0.00 0.00 -0.370 N ATOM 83 HH21 ARG A 19 -6.127 -5.460 3.965 0.00 0.00 +0.159 HD ATOM 84 HH22 ARG A 19 -7.340 -6.511 3.146 0.00 0.00 +0.159 HD ENDBRANCH 79 82 ENDBRANCH 77 79 ENDBRANCH 76 77 ENDBRANCH 75 76 ENDBRANCH 74 75 ENDBRANCH 57 74 ENDBRANCH 54 57 ENDBRANCH 52 53 BRANCH 52 85 ATOM 85 CB HIS A 18 -11.162 -0.497 0.356 0.00 0.00 +0.086 C BRANCH 85 86 ATOM 86 CG HIS A 18 -11.749 -1.822 0.543 0.00 0.00 +0.038 A ATOM 87 ND1 HIS A 18 -11.087 -2.878 1.093 0.00 0.00 -0.348 N ATOM 88 HD1 HIS A 18 -10.409 -2.764 1.827 0.00 0.00 +0.166 HD ATOM 89 CE1 HIS A 18 -12.014 -3.914 1.052 0.00 0.00 +0.196 A ATOM 90 NE2 HIS A 18 -13.090 -3.613 0.391 0.00 0.00 -0.244 NA ATOM 91 CD2 HIS A 18 -12.851 -2.317 -0.062 0.00 0.00 +0.133 A ENDBRANCH 85 86 ENDBRANCH 52 85 ENDBRANCH 49 52 ENDBRANCH 47 48 BRANCH 47 92 ATOM 92 CB ARG A 17 -8.786 4.244 0.966 0.00 0.00 +0.033 C BRANCH 92 93 ATOM 93 CG ARG A 17 -8.016 5.172 1.900 0.00 0.00 +0.023 C BRANCH 93 94 ATOM 94 CD ARG A 17 -7.809 6.588 1.398 0.00 0.00 +0.115 C BRANCH 94 95 ATOM 95 NE ARG A 17 -6.650 7.198 2.146 0.00 0.00 -0.356 N ATOM 96 HE ARG A 17 -6.971 7.430 3.124 0.00 0.00 +0.162 HD BRANCH 95 97 ATOM 97 CZ ARG A 17 -5.997 8.169 1.577 0.00 0.00 +0.188 C ATOM 98 NH1 ARG A 17 -6.683 9.315 1.386 0.00 0.00 -0.269 NA ATOM 99 HH1 ARG A 17 -5.941 9.929 1.013 0.00 0.00 +0.190 HD BRANCH 97 100 ATOM 100 NH2 ARG A 17 -4.896 7.791 0.949 0.00 0.00 -0.370 N ATOM 101 HH21 ARG A 17 -4.308 7.287 1.612 0.00 0.00 +0.159 HD ATOM 102 HH22 ARG A 17 -4.334 8.354 0.339 0.00 0.00 +0.159 HD ENDBRANCH 97 100 ENDBRANCH 95 97 ENDBRANCH 94 95 ENDBRANCH 93 94 ENDBRANCH 92 93 ENDBRANCH 47 92 ENDBRANCH 44 47 ENDBRANCH 42 43 BRANCH 42 103 ATOM 103 CB LYS A 16 -5.556 0.581 1.336 0.00 0.00 +0.032 C BRANCH 103 104 ATOM 104 CG LYS A 16 -5.285 1.829 0.515 0.00 0.00 +0.003 C BRANCH 104 105 ATOM 105 CD LYS A 16 -3.956 2.461 0.896 0.00 0.00 +0.015 C BRANCH 105 106 ATOM 106 CE LYS A 16 -3.896 3.917 0.456 0.00 0.00 +0.077 C BRANCH 106 107 ATOM 107 NZ LYS A 16 -3.533 4.016 -0.913 0.00 0.00 -0.330 NA ATOM 108 HZ1 LYS A 16 -3.272 5.032 -1.137 0.00 0.00 +0.118 HD ATOM 109 HZ2 LYS A 16 -4.206 3.663 -1.577 0.00 0.00 +0.118 HD ENDBRANCH 106 107 ENDBRANCH 105 106 ENDBRANCH 104 105 ENDBRANCH 103 104 ENDBRANCH 42 103 ENDBRANCH 39 42 ENDBRANCH 36 38 ENDBRANCH 33 36 ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 21 22 BRANCH 21 110 ATOM 110 CB LYS A 12 1.701 -3.964 -0.878 0.00 0.00 +0.032 C BRANCH 110 111 ATOM 111 CG LYS A 12 3.063 -4.541 -1.233 0.00 0.00 +0.003 C BRANCH 111 112 ATOM 112 CD LYS A 12 3.278 -5.844 -0.510 0.00 0.00 +0.015 C BRANCH 112 113 ATOM 113 CE LYS A 12 4.718 -6.317 -0.519 0.00 0.00 +0.077 C BRANCH 113 114 ATOM 114 NZ LYS A 12 4.801 -7.668 -0.072 0.00 0.00 -0.330 NA ATOM 115 HZ1 LYS A 12 4.612 -7.736 0.927 0.00 0.00 +0.118 HD ATOM 116 HZ2 LYS A 12 4.091 -8.238 -0.518 0.00 0.00 +0.118 HD ENDBRANCH 113 114 ENDBRANCH 112 113 ENDBRANCH 111 112 ENDBRANCH 110 111 ENDBRANCH 21 110 ENDBRANCH 18 21 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 117 ATOM 117 CB LEU A 10 -1.008 0.738 -6.319 0.00 0.00 +0.034 C BRANCH 117 118 ATOM 118 CG LEU A 10 -1.693 0.596 -4.955 0.00 0.00 -0.015 C ATOM 119 CD2 LEU A 10 -2.995 -0.220 -5.123 0.00 0.00 +0.007 C ATOM 120 CD1 LEU A 10 -2.067 1.962 -4.345 0.00 0.00 +0.007 C ENDBRANCH 117 118 ENDBRANCH 11 117 ENDBRANCH 8 11 ENDBRANCH 6 7 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 122 ATOM 121 C GLY A 7 4.043 1.041 -3.465 0.00 0.00 +0.231 C ATOM 122 N LYS A 8 2.960 1.576 -2.857 0.00 0.00 -0.303 N ATOM 123 H LYS A 8 2.290 0.785 -2.725 0.00 0.00 +0.149 HD ATOM 124 O GLY A 7 3.956 0.186 -4.470 0.00 0.00 -0.274 OA BRANCH 121 125 ATOM 125 CA GLY A 7 5.423 1.269 -2.642 0.00 0.00 +0.200 C BRANCH 125 127 ATOM 126 C GLY A 6 4.690 -0.437 -1.173 0.00 0.00 +0.231 C ATOM 127 N GLY A 7 5.220 0.821 -1.295 0.00 0.00 -0.305 N ATOM 128 H GLY A 7 6.057 1.075 -0.713 0.00 0.00 +0.149 HD ATOM 129 O GLY A 6 4.934 -1.493 -1.845 0.00 0.00 -0.274 OA BRANCH 126 130 ATOM 130 CA GLY A 6 3.578 -0.423 -0.041 0.00 0.00 +0.200 C BRANCH 130 132 ATOM 131 C UNK A 5 4.673 -1.273 1.954 0.00 0.00 +0.234 C ATOM 132 N GLY A 6 3.596 -1.345 1.083 0.00 0.00 -0.305 N ATOM 133 H GLY A 6 2.738 -1.258 1.559 0.00 0.00 +0.149 HD ATOM 134 O UNK A 5 5.814 -1.637 1.644 0.00 0.00 -0.274 OA BRANCH 131 135 ATOM 135 C UNK A 5 4.367 -0.700 3.422 0.00 0.00 +0.159 C BRANCH 135 137 ATOM 136 C GLY A 4 4.609 1.754 3.483 0.00 0.00 +0.231 C ATOM 137 N UNK A 5 3.821 0.628 3.350 0.00 0.00 -0.303 N ATOM 138 H UNK A 5 3.026 0.695 2.713 0.00 0.00 +0.149 HD ATOM 139 O GLY A 4 4.763 2.251 4.598 0.00 0.00 -0.274 OA BRANCH 136 140 ATOM 140 CA GLY A 4 5.159 2.434 2.184 0.00 0.00 +0.200 C BRANCH 140 142 ATOM 141 C ARG A 3 5.091 4.627 1.145 0.00 0.00 +0.234 C ATOM 142 N GLY A 4 4.565 3.709 2.045 0.00 0.00 -0.305 N ATOM 143 H GLY A 4 4.071 4.105 2.831 0.00 0.00 +0.149 HD ATOM 144 O ARG A 3 5.943 4.288 0.320 0.00 0.00 -0.274 OA BRANCH 141 145 ATOM 145 CA ARG A 3 4.286 6.025 0.997 0.00 0.00 +0.159 C BRANCH 145 147 ATOM 146 C GLY A 2 3.373 7.518 -0.648 0.00 0.00 +0.231 C ATOM 147 N ARG A 3 3.123 6.411 0.159 0.00 0.00 -0.303 N ATOM 148 H ARG A 3 2.232 6.545 0.679 0.00 0.00 +0.149 HD ATOM 149 O GLY A 2 4.314 8.326 -0.437 0.00 0.00 -0.274 OA BRANCH 146 150 ATOM 150 CA GLY A 2 2.248 7.858 -1.687 0.00 0.00 +0.200 C BRANCH 150 152 ATOM 151 C SER A 1 0.034 7.827 -2.531 0.00 0.00 +0.236 C ATOM 152 N GLY A 2 0.962 7.177 -1.703 0.00 0.00 -0.305 N ATOM 153 H GLY A 2 1.081 6.194 -1.757 0.00 0.00 +0.149 HD ATOM 154 O SER A 1 -0.287 9.032 -2.370 0.00 0.00 -0.274 OA BRANCH 151 155 ATOM 155 CA SER A 1 -0.606 6.870 -3.624 0.00 0.00 +0.184 C BRANCH 155 158 ATOM 156 C UNK A 0 -4.022 6.679 -4.931 0.00 0.00 +0.109 C ATOM 157 C UNK A 0 -2.942 7.461 -4.131 0.00 0.00 +0.211 C ATOM 158 N SER A 1 -2.043 6.680 -3.487 0.00 0.00 -0.302 N ATOM 159 H SER A 1 -2.283 5.694 -3.497 0.00 0.00 +0.150 HD ATOM 160 O UNK A 0 -2.815 8.671 -4.334 0.00 0.00 -0.276 OA ENDBRANCH 155 158 BRANCH 155 161 ATOM 161 CB SER A 1 -0.233 7.411 -5.016 0.00 0.00 +0.187 C BRANCH 161 162 ATOM 162 OG SER A 1 -0.832 6.525 -6.004 0.00 0.00 -0.393 OA ATOM 163 H SER A 1 -1.026 7.139 -6.778 0.00 0.00 +0.209 HD ENDBRANCH 161 162 ENDBRANCH 155 161 ENDBRANCH 151 155 ENDBRANCH 150 152 ENDBRANCH 146 150 ENDBRANCH 145 147 BRANCH 145 164 ATOM 164 CB ARG A 3 3.922 6.478 2.389 0.00 0.00 +0.033 C BRANCH 164 165 ATOM 165 CG ARG A 3 4.216 7.951 2.633 0.00 0.00 +0.023 C BRANCH 165 166 ATOM 166 CD ARG A 3 4.273 8.196 4.115 0.00 0.00 +0.115 C BRANCH 166 167 ATOM 167 NE ARG A 3 3.061 7.757 4.784 0.00 0.00 -0.356 N ATOM 168 HE ARG A 3 2.954 6.744 4.673 0.00 0.00 +0.162 HD BRANCH 167 169 ATOM 169 CZ ARG A 3 1.850 8.265 4.741 0.00 0.00 +0.188 C ATOM 170 NH1 ARG A 3 1.121 8.403 5.844 0.00 0.00 -0.269 NA ATOM 171 HH1 ARG A 3 1.520 7.775 6.539 0.00 0.00 +0.190 HD BRANCH 169 172 ATOM 172 NH2 ARG A 3 1.344 8.621 3.588 0.00 0.00 -0.370 N ATOM 173 HH21 ARG A 3 1.612 9.501 3.109 0.00 0.00 +0.159 HD ATOM 174 HH22 ARG A 3 0.296 8.624 3.636 0.00 0.00 +0.159 HD ENDBRANCH 169 172 ENDBRANCH 167 169 ENDBRANCH 166 167 ENDBRANCH 165 166 ENDBRANCH 164 165 ENDBRANCH 145 164 ENDBRANCH 141 145 ENDBRANCH 140 142 ENDBRANCH 136 140 ENDBRANCH 135 137 BRANCH 135 175 ATOM 175 C UNK A 5 3.375 -1.636 4.088 0.00 0.00 +0.032 C BRANCH 175 176 ATOM 176 C UNK A 5 3.468 -3.157 3.738 0.00 0.00 +0.004 C BRANCH 176 177 ATOM 177 C UNK A 5 2.052 -3.735 3.700 0.00 0.00 +0.019 C BRANCH 177 178 ATOM 178 C UNK A 5 2.054 -5.227 3.451 0.00 0.00 +0.104 C BRANCH 178 179 ATOM 179 N UNK A 5 0.851 -5.681 2.720 0.00 0.00 -0.315 N ATOM 180 H UNK A 5 0.035 -5.047 2.779 0.00 0.00 +0.149 HD ATOM 181 C UNK A 5 0.666 -7.020 2.492 0.00 0.00 +0.223 C ATOM 182 O UNK A 5 1.593 -7.810 2.626 0.00 0.00 -0.275 OA BRANCH 181 183 ATOM 183 C UNK A 5 -0.612 -7.411 1.742 0.00 0.00 +0.164 C BRANCH 183 184 ATOM 184 S UNK A 5 -0.678 -7.090 -0.082 0.00 0.00 -0.150 S BRANCH 184 185 ATOM 185 C UNK A 5 0.135 -8.646 -0.785 0.00 0.00 +0.088 C BRANCH 185 186 ATOM 186 C UNK A 5 -0.347 -8.771 -2.268 0.00 0.00 +0.115 C BRANCH 186 187 ATOM 187 N UNK A 5 0.445 -7.893 -3.170 0.00 0.00 -0.314 N ATOM 188 H UNK A 5 0.065 -6.989 -3.372 0.00 0.00 +0.149 HD ATOM 189 C UNK A 5 1.554 -8.394 -3.850 0.00 0.00 +0.215 C ATOM 190 O UNK A 5 1.994 -9.508 -3.659 0.00 0.00 -0.276 OA BRANCH 189 191 ATOM 191 C UNK A 5 2.351 -7.331 -4.592 0.00 0.00 +0.114 C BRANCH 191 192 ATOM 192 C UNK A 5 3.866 -7.387 -4.360 0.00 0.00 +0.113 C BRANCH 192 193 ATOM 193 N UNK A 5 4.513 -6.087 -4.502 0.00 0.00 -0.313 N ATOM 194 H UNK A 5 3.970 -5.320 -4.915 0.00 0.00 +0.149 HD ATOM 195 C UNK A 5 5.834 -5.941 -4.704 0.00 0.00 +0.242 C ATOM 196 O UNK A 5 6.645 -6.870 -4.911 0.00 0.00 -0.273 OA BRANCH 195 197 ATOM 197 C UNK A 5 6.360 -4.540 -4.360 0.00 0.00 +0.208 C BRANCH 197 198 ATOM 198 C UNK A 5 7.796 -4.364 -3.719 0.00 0.00 +0.024 C ATOM 199 C UNK A 5 7.970 -5.242 -2.486 0.00 0.00 +0.016 C ATOM 200 C UNK A 5 8.930 -4.732 -4.738 0.00 0.00 +0.016 C BRANCH 198 201 ATOM 201 C UNK A 5 8.000 -2.841 -3.325 0.00 0.00 +0.181 C BRANCH 201 202 ATOM 202 O UNK A 5 7.942 -2.522 -1.907 0.00 0.00 -0.286 OA BRANCH 202 203 ATOM 203 P UNK A 5 9.195 -1.856 -1.253 0.00 0.00 +0.483 P ATOM 204 O UNK A 5 10.213 -1.300 -2.249 0.00 0.00 -0.227 OA BRANCH 203 205 ATOM 205 O UNK A 5 9.765 -3.062 -0.409 0.00 0.00 -0.302 OA ATOM 206 H UNK A 5 10.753 -3.142 -0.535 0.00 0.00 +0.222 HD ENDBRANCH 203 205 BRANCH 203 207 ATOM 207 O UNK A 5 8.720 -0.715 -0.242 0.00 0.00 -0.186 OA BRANCH 207 208 ATOM 208 P UNK A 5 9.776 -0.104 0.780 0.00 0.00 +0.483 P ATOM 209 O UNK A 5 10.901 -1.041 1.195 0.00 0.00 -0.227 OA BRANCH 208 210 ATOM 210 O UNK A 5 10.133 1.378 0.414 0.00 0.00 -0.302 OA ATOM 211 H UNK A 5 10.740 1.838 -0.233 0.00 0.00 +0.222 HD ENDBRANCH 208 210 BRANCH 208 212 ATOM 212 O UNK A 5 8.896 0.168 2.113 0.00 0.00 -0.284 OA BRANCH 212 213 ATOM 213 C UNK A 5 9.713 0.626 3.270 0.00 0.00 +0.206 C BRANCH 213 214 ATOM 214 C UNK A 5 8.790 0.953 4.418 0.00 0.00 +0.179 C ATOM 215 C UNK A 5 9.149 2.229 5.300 0.00 0.00 +0.194 C ATOM 216 C UNK A 5 8.591 1.818 6.686 0.00 0.00 +0.196 C ATOM 217 C UNK A 5 8.045 0.406 6.441 0.00 0.00 +0.253 C ATOM 218 O UNK A 5 8.834 -0.177 5.372 0.00 0.00 -0.346 OA BRANCH 217 219 ATOM 219 N UNK A 5 7.978 -0.343 7.648 0.00 0.00 -0.286 N ATOM 220 C UNK A 5 6.812 -0.678 8.304 0.00 0.00 +0.167 A ATOM 221 C UNK A 5 7.240 -1.429 9.348 0.00 0.00 +0.147 A ATOM 222 C UNK A 5 6.226 -2.414 9.751 0.00 0.00 +0.147 A ATOM 223 N UNK A 5 4.935 -2.186 9.378 0.00 0.00 -0.219 NA ATOM 224 C UNK A 5 4.693 -1.180 8.490 0.00 0.00 +0.225 A ATOM 225 N UNK A 5 8.686 -1.412 9.520 0.00 0.00 -0.231 NA ATOM 226 N UNK A 5 5.575 -0.329 7.865 0.00 0.00 -0.216 NA ATOM 227 C UNK A 5 9.026 -0.839 8.437 0.00 0.00 +0.203 A BRANCH 222 228 ATOM 228 N UNK A 5 6.394 -3.580 10.409 0.00 0.00 -0.341 N ATOM 229 H UNK A 5 5.590 -4.225 10.115 0.00 0.00 +0.144 HD ATOM 230 H UNK A 5 7.383 -3.893 10.175 0.00 0.00 +0.144 HD ENDBRANCH 222 228 ENDBRANCH 217 219 BRANCH 216 231 ATOM 231 O UNK A 5 7.579 2.748 7.169 0.00 0.00 -0.385 OA ATOM 232 H UNK A 5 6.737 2.257 7.003 0.00 0.00 +0.210 HD ENDBRANCH 216 231 BRANCH 215 233 ATOM 233 O UNK A 5 8.494 3.453 4.817 0.00 0.00 -0.278 OA BRANCH 233 234 ATOM 234 P UNK A 5 9.384 4.728 5.095 0.00 0.00 +0.473 P ATOM 235 O UNK A 5 10.874 4.530 5.143 0.00 0.00 -0.228 OA BRANCH 234 236 ATOM 236 O UNK A 5 8.854 5.472 6.362 0.00 0.00 -0.303 OA ATOM 237 H UNK A 5 7.898 5.499 6.594 0.00 0.00 +0.222 HD ENDBRANCH 234 236 BRANCH 234 238 ATOM 238 O UNK A 5 8.775 5.667 3.981 0.00 0.00 -0.303 OA ATOM 239 H UNK A 5 8.724 6.689 4.208 0.00 0.00 +0.222 HD ENDBRANCH 234 238 ENDBRANCH 233 234 ENDBRANCH 215 233 ENDBRANCH 213 214 ENDBRANCH 212 213 ENDBRANCH 208 212 ENDBRANCH 207 208 ENDBRANCH 203 207 ENDBRANCH 202 203 ENDBRANCH 201 202 ENDBRANCH 198 201 ENDBRANCH 197 198 BRANCH 197 240 ATOM 240 O UNK A 5 6.356 -3.901 -5.660 0.00 0.00 -0.382 OA ATOM 241 H UNK A 5 6.899 -4.477 -6.239 0.00 0.00 +0.210 HD ENDBRANCH 197 240 ENDBRANCH 195 197 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 189 191 ENDBRANCH 186 187 ENDBRANCH 185 186 ENDBRANCH 184 185 ENDBRANCH 183 184 ENDBRANCH 181 183 ENDBRANCH 178 179 ENDBRANCH 177 178 ENDBRANCH 176 177 ENDBRANCH 175 176 ENDBRANCH 135 175 ENDBRANCH 131 135 ENDBRANCH 130 132 ENDBRANCH 126 130 ENDBRANCH 125 127 ENDBRANCH 121 125 ENDBRANCH 1 122 BRANCH 1 242 ATOM 242 CB LYS A 8 1.481 3.492 -2.308 0.00 0.00 +0.032 C BRANCH 242 243 ATOM 243 CG LYS A 8 1.591 2.895 -0.930 0.00 0.00 +0.003 C BRANCH 243 244 ATOM 244 CD LYS A 8 0.492 3.357 -0.001 0.00 0.00 +0.015 C BRANCH 244 245 ATOM 245 CE LYS A 8 0.772 2.811 1.343 0.00 0.00 +0.077 C BRANCH 245 246 ATOM 246 NZ LYS A 8 -0.307 3.117 2.219 0.00 0.00 -0.330 NA ATOM 247 HZ1 LYS A 8 -0.123 2.841 3.184 0.00 0.00 +0.118 HD ATOM 248 HZ2 LYS A 8 -0.632 4.081 2.193 0.00 0.00 +0.118 HD ENDBRANCH 245 246 ENDBRANCH 244 245 ENDBRANCH 243 244 ENDBRANCH 242 243 ENDBRANCH 1 242 TORSDOF 118