REMARK Name = BDB058936 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C UNK A 12 10.500 1.416 -2.369 0.00 0.00 +0.236 C ATOM 2 N UNK A 12 11.526 0.621 -1.908 0.00 0.00 -0.312 N ATOM 3 H UNK A 12 11.971 0.884 -1.031 0.00 0.00 +0.149 HD ATOM 4 O UNK A 12 9.893 1.186 -3.414 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C UNK A 12 10.259 2.687 -1.527 0.00 0.00 +0.184 C BRANCH 5 7 ATOM 6 C THR A 11 7.854 3.364 -1.823 0.00 0.00 +0.237 C ATOM 7 N UNK A 12 9.196 3.497 -2.135 0.00 0.00 -0.300 N ATOM 8 H UNK A 12 9.380 3.734 -3.103 0.00 0.00 +0.150 HD ATOM 9 O THR A 11 7.452 2.626 -0.925 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA THR A 11 6.900 4.214 -2.716 0.00 0.00 +0.187 C BRANCH 10 12 ATOM 11 C LEU A 10 4.809 2.902 -2.655 0.00 0.00 +0.234 C ATOM 12 N THR A 11 5.519 4.016 -2.278 0.00 0.00 -0.300 N ATOM 13 H THR A 11 5.308 4.456 -1.392 0.00 0.00 +0.150 HD ATOM 14 O LEU A 10 5.210 2.171 -3.561 0.00 0.00 -0.274 OA BRANCH 11 15 ATOM 15 CA LEU A 10 3.442 2.691 -1.943 0.00 0.00 +0.159 C BRANCH 15 17 ATOM 16 C GLN A 9 1.739 0.990 -2.652 0.00 0.00 +0.234 C ATOM 17 N LEU A 10 3.009 1.329 -2.254 0.00 0.00 -0.302 N ATOM 18 H LEU A 10 3.756 0.631 -2.351 0.00 0.00 +0.150 HD ATOM 19 O GLN A 9 0.830 1.805 -2.799 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 CA GLN A 9 1.535 -0.523 -2.880 0.00 0.00 +0.159 C BRANCH 20 22 ATOM 21 C LYS A 8 -0.453 -1.980 -2.577 0.00 0.00 +0.234 C ATOM 22 N GLN A 9 0.108 -0.798 -3.001 0.00 0.00 -0.302 N ATOM 23 H GLN A 9 -0.436 -0.144 -3.559 0.00 0.00 +0.150 HD ATOM 24 O LYS A 8 0.234 -2.894 -2.125 0.00 0.00 -0.274 OA BRANCH 21 45 ATOM 25 C UNK A 4 -7.475 0.663 -1.726 0.00 0.00 +0.168 C ATOM 26 C UNK A 4 -8.582 -0.414 -1.784 0.00 0.00 +0.234 C ATOM 27 O UNK A 4 -9.348 -0.614 -0.841 0.00 0.00 -0.274 OA ATOM 28 N ARG A 5 -8.824 -1.140 -2.909 0.00 0.00 -0.302 N ATOM 29 H ARG A 5 -9.559 -1.814 -2.730 0.00 0.00 +0.150 HD ATOM 30 CA ARG A 5 -8.388 -1.021 -4.312 0.00 0.00 +0.165 C ATOM 31 C ARG A 5 -6.919 -1.490 -4.430 0.00 0.00 +0.234 C ATOM 32 O ARG A 5 -6.604 -2.650 -4.144 0.00 0.00 -0.274 OA ATOM 33 N ARG A 6 -5.902 -0.600 -4.652 0.00 0.00 -0.302 N ATOM 34 H ARG A 6 -5.035 -0.992 -4.305 0.00 0.00 +0.150 HD ATOM 35 CA ARG A 6 -5.700 -0.022 -5.988 0.00 0.00 +0.163 C ATOM 36 C ARG A 6 -5.064 -0.979 -7.023 0.00 0.00 +0.234 C ATOM 37 O ARG A 6 -5.525 -1.007 -8.175 0.00 0.00 -0.274 OA ATOM 38 N UNK A 7 -3.947 -1.714 -6.825 0.00 0.00 -0.302 N ATOM 39 H UNK A 7 -3.742 -2.211 -7.686 0.00 0.00 +0.150 HD ATOM 40 C UNK A 7 -3.310 -2.302 -5.624 0.00 0.00 +0.163 C ATOM 41 C UNK A 7 -2.510 -1.233 -4.852 0.00 0.00 +0.234 C ATOM 42 O UNK A 7 -1.833 -0.357 -5.398 0.00 0.00 -0.274 OA ATOM 43 N LYS A 8 -2.694 -1.122 -3.494 0.00 0.00 -0.302 N ATOM 44 H LYS A 8 -2.443 -0.165 -3.224 0.00 0.00 +0.150 HD ATOM 45 CA LYS A 8 -2.009 -2.008 -2.525 0.00 0.00 +0.159 C ATOM 46 CB LYS A 8 -2.526 -3.443 -2.375 0.00 0.00 +0.032 C ATOM 47 CG LYS A 8 -4.027 -3.594 -2.122 0.00 0.00 +0.004 C ATOM 48 CD LYS A 8 -4.524 -3.009 -0.796 0.00 0.00 +0.019 C ATOM 49 CE LYS A 8 -5.606 -1.950 -1.006 0.00 0.00 +0.104 C ATOM 50 NZ LYS A 8 -6.155 -1.510 0.259 0.00 0.00 -0.315 N ATOM 51 HZ LYS A 8 -6.329 -2.245 0.941 0.00 0.00 +0.149 HD ATOM 52 C UNK A 4 -6.856 -0.393 0.587 0.00 0.00 +0.215 C ATOM 53 O UNK A 4 -7.385 -0.376 1.701 0.00 0.00 -0.276 OA ATOM 54 C UNK A 4 -6.900 0.825 -0.318 0.00 0.00 +0.127 C BRANCH 25 56 ATOM 55 C ARG A 3 -7.446 2.998 -2.789 0.00 0.00 +0.234 C ATOM 56 N UNK A 4 -8.063 1.915 -2.238 0.00 0.00 -0.302 N ATOM 57 H UNK A 4 -9.043 1.862 -2.513 0.00 0.00 +0.150 HD ATOM 58 O ARG A 3 -8.085 3.681 -3.597 0.00 0.00 -0.274 OA BRANCH 55 59 ATOM 59 CA ARG A 3 -6.029 3.423 -2.365 0.00 0.00 +0.156 C ATOM 60 CB ARG A 3 -6.145 4.239 -1.080 0.00 0.00 +0.038 C BRANCH 59 62 ATOM 61 C UNK A 2 -4.210 4.732 -3.485 0.00 0.00 +0.236 C ATOM 62 N ARG A 3 -5.495 4.244 -3.464 0.00 0.00 -0.303 N ATOM 63 H ARG A 3 -6.203 4.730 -4.011 0.00 0.00 +0.149 HD ATOM 64 O UNK A 2 -3.372 4.420 -2.634 0.00 0.00 -0.274 OA BRANCH 61 65 ATOM 65 C UNK A 2 -3.900 5.727 -4.621 0.00 0.00 +0.187 C BRANCH 65 67 ATOM 66 C PHE A 1 -3.503 8.183 -4.432 0.00 0.00 +0.234 C ATOM 67 N UNK A 2 -3.296 6.897 -3.993 0.00 0.00 -0.300 N ATOM 68 H UNK A 2 -2.532 6.700 -3.361 0.00 0.00 +0.150 HD ATOM 69 O PHE A 1 -4.225 8.443 -5.391 0.00 0.00 -0.274 OA BRANCH 66 70 ATOM 70 CA PHE A 1 -2.632 9.264 -3.744 0.00 0.00 +0.159 C BRANCH 70 73 ATOM 71 C UNK A 0 -2.926 8.663 -0.001 0.00 0.00 +0.109 C ATOM 72 C UNK A 0 -3.262 9.230 -1.355 0.00 0.00 +0.211 C ATOM 73 N PHE A 1 -2.361 8.906 -2.347 0.00 0.00 -0.304 N ATOM 74 H PHE A 1 -1.646 8.221 -2.147 0.00 0.00 +0.149 HD ATOM 75 O UNK A 0 -4.246 9.940 -1.541 0.00 0.00 -0.276 OA ENDBRANCH 70 73 BRANCH 70 76 ATOM 76 CB PHE A 1 -1.317 9.415 -4.524 0.00 0.00 +0.034 C BRANCH 76 77 ATOM 77 CG PHE A 1 -0.444 10.607 -4.068 0.00 0.00 -0.015 C ATOM 78 CD2 PHE A 1 -1.073 11.953 -4.440 0.00 0.00 +0.007 C ATOM 79 CD1 PHE A 1 0.950 10.508 -4.692 0.00 0.00 +0.007 C ENDBRANCH 76 77 ENDBRANCH 70 76 ENDBRANCH 66 70 ENDBRANCH 65 67 BRANCH 65 80 ATOM 80 C UNK A 2 -2.948 5.059 -5.635 0.00 0.00 +0.141 C ATOM 81 C UNK A 2 -2.902 5.803 -6.964 0.00 0.00 +0.040 C BRANCH 80 82 ATOM 82 O UNK A 2 -1.613 4.998 -5.110 0.00 0.00 -0.390 OA ATOM 83 H UNK A 2 -1.067 4.518 -5.758 0.00 0.00 +0.210 HD ENDBRANCH 80 82 ENDBRANCH 65 80 ENDBRANCH 61 65 ENDBRANCH 59 62 ENDBRANCH 55 59 ENDBRANCH 25 56 BRANCH 30 84 ATOM 84 CB ARG A 5 -8.819 0.265 -5.023 0.00 0.00 +0.086 C BRANCH 84 85 ATOM 85 CG ARG A 5 -10.223 0.716 -4.775 0.00 0.00 +0.038 A ATOM 86 ND1 ARG A 5 -11.299 -0.113 -4.558 0.00 0.00 -0.348 N ATOM 87 HD1 ARG A 5 -11.301 -1.123 -4.527 0.00 0.00 +0.166 HD ATOM 88 CE1 ARG A 5 -12.401 0.674 -4.376 0.00 0.00 +0.196 A ATOM 89 NE2 ARG A 5 -12.109 1.946 -4.498 0.00 0.00 -0.244 NA ATOM 90 CD2 ARG A 5 -10.763 1.986 -4.751 0.00 0.00 +0.133 A ENDBRANCH 84 85 ENDBRANCH 30 84 BRANCH 35 91 ATOM 91 CB ARG A 6 -4.904 1.287 -5.901 0.00 0.00 +0.067 C BRANCH 91 92 ATOM 92 CG ARG A 6 -5.261 2.269 -6.992 0.00 0.00 -0.045 A ATOM 93 CD2 ARG A 6 -4.497 2.336 -8.166 0.00 0.00 +0.007 A ATOM 94 CE2 ARG A 6 -4.824 3.251 -9.168 0.00 0.00 +0.045 A ATOM 95 CZ ARG A 6 -5.914 4.097 -9.007 0.00 0.00 +0.117 A ATOM 96 CE1 ARG A 6 -6.694 4.033 -7.857 0.00 0.00 +0.045 A ATOM 97 CD1 ARG A 6 -6.370 3.117 -6.854 0.00 0.00 +0.007 A BRANCH 95 98 ATOM 98 OH ARG A 6 -6.182 4.985 -10.004 0.00 0.00 -0.507 OA ATOM 99 HH ARG A 6 -6.984 5.481 -9.772 0.00 0.00 +0.292 HD ENDBRANCH 95 98 ENDBRANCH 91 92 ENDBRANCH 35 91 BRANCH 40 100 ATOM 100 C UNK A 7 -2.523 -3.564 -6.019 0.00 0.00 +0.069 C BRANCH 100 101 ATOM 101 C UNK A 7 -1.059 -3.447 -6.312 0.00 0.00 -0.020 A ATOM 102 C UNK A 7 -0.411 -2.725 -7.371 0.00 0.00 +0.003 A ATOM 103 C UNK A 7 0.949 -3.041 -7.312 0.00 0.00 +0.047 A ATOM 104 C UNK A 7 1.888 -2.536 -8.217 0.00 0.00 +0.026 A ATOM 105 C UNK A 7 1.435 -1.673 -9.217 0.00 0.00 +0.002 A ATOM 106 C UNK A 7 0.088 -1.334 -9.305 0.00 0.00 +0.001 A ATOM 107 N UNK A 7 1.126 -3.891 -6.249 0.00 0.00 -0.360 N ATOM 108 H UNK A 7 2.015 -4.292 -5.980 0.00 0.00 +0.165 HD ATOM 109 C UNK A 7 -0.839 -1.857 -8.396 0.00 0.00 +0.010 A ATOM 110 C UNK A 7 -0.066 -4.121 -5.626 0.00 0.00 +0.087 A ENDBRANCH 100 101 ENDBRANCH 40 100 ENDBRANCH 21 45 ENDBRANCH 20 22 BRANCH 20 111 ATOM 111 CB GLN A 9 2.309 -1.033 -4.104 0.00 0.00 +0.041 C BRANCH 111 112 ATOM 112 CG GLN A 9 3.110 -2.301 -3.791 0.00 0.00 +0.098 C BRANCH 112 113 ATOM 113 CD GLN A 9 4.261 -2.024 -2.853 0.00 0.00 +0.211 C ATOM 114 OE1 GLN A 9 4.679 -0.894 -2.613 0.00 0.00 -0.276 OA ATOM 115 NE2 GLN A 9 4.841 -3.134 -2.313 0.00 0.00 -0.329 N ATOM 116 HE21 GLN A 9 5.578 -2.946 -1.619 0.00 0.00 +0.145 HD ATOM 117 HE22 GLN A 9 4.261 -3.932 -2.095 0.00 0.00 +0.145 HD ENDBRANCH 112 113 ENDBRANCH 111 112 ENDBRANCH 20 111 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 118 ATOM 118 CB LEU A 10 3.499 2.863 -0.407 0.00 0.00 +0.034 C BRANCH 118 119 ATOM 119 CG LEU A 10 2.622 3.992 0.182 0.00 0.00 -0.015 C ATOM 120 CD2 LEU A 10 1.127 3.728 -0.018 0.00 0.00 +0.007 C ATOM 121 CD1 LEU A 10 2.993 5.382 -0.331 0.00 0.00 +0.007 C ENDBRANCH 118 119 ENDBRANCH 15 118 ENDBRANCH 11 15 ENDBRANCH 10 12 BRANCH 10 122 ATOM 122 CB THR A 11 7.259 5.718 -2.640 0.00 0.00 +0.141 C ATOM 123 CG2 THR A 11 6.575 6.519 -3.746 0.00 0.00 +0.040 C BRANCH 122 124 ATOM 124 OG1 THR A 11 6.847 6.254 -1.374 0.00 0.00 -0.390 OA ATOM 125 HG1 THR A 11 7.095 7.197 -1.364 0.00 0.00 +0.210 HD ENDBRANCH 122 124 ENDBRANCH 10 122 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 126 ATOM 126 C UNK A 12 10.103 2.378 -0.030 0.00 0.00 +0.187 C BRANCH 126 127 ATOM 127 O UNK A 12 11.387 2.086 0.541 0.00 0.00 -0.393 OA ATOM 128 H UNK A 12 11.225 1.881 1.481 0.00 0.00 +0.209 HD ENDBRANCH 126 127 ENDBRANCH 5 126 ENDBRANCH 1 5 BRANCH 2 129 ATOM 129 C UNK A 12 12.103 -0.463 -2.678 0.00 0.00 +0.132 C BRANCH 129 130 ATOM 130 C UNK A 12 11.209 -1.694 -2.831 0.00 0.00 +0.178 C BRANCH 130 131 ATOM 131 O UNK A 12 12.035 -2.763 -3.300 0.00 0.00 -0.376 OA BRANCH 131 132 ATOM 132 C UNK A 12 11.308 -3.911 -3.747 0.00 0.00 +0.188 C BRANCH 132 133 ATOM 133 C UNK A 12 10.506 -4.601 -2.636 0.00 0.00 +0.188 C BRANCH 133 134 ATOM 134 O UNK A 12 9.185 -4.052 -2.576 0.00 0.00 -0.368 OA BRANCH 134 135 ATOM 135 C UNK A 12 8.232 -4.808 -3.308 0.00 0.00 +0.255 C BRANCH 135 136 ATOM 136 C UNK A 12 7.706 -6.073 -2.604 0.00 0.00 +0.239 C ATOM 137 N UNK A 12 6.332 -6.189 -2.588 0.00 0.00 -0.302 N ATOM 138 H UNK A 12 5.810 -5.600 -3.234 0.00 0.00 +0.150 HD ATOM 139 O UNK A 12 8.446 -6.923 -2.108 0.00 0.00 -0.273 OA BRANCH 137 140 ATOM 140 C UNK A 12 5.678 -7.438 -2.204 0.00 0.00 +0.159 C BRANCH 140 141 ATOM 141 C UNK A 12 5.032 -8.011 -3.479 0.00 0.00 +0.231 C ATOM 142 O UNK A 12 4.827 -7.346 -4.494 0.00 0.00 -0.274 OA ATOM 143 N UNK A 12 4.642 -9.318 -3.413 0.00 0.00 -0.328 N ATOM 144 H UNK A 12 4.317 -9.738 -4.279 0.00 0.00 +0.145 HD ATOM 145 H UNK A 12 5.046 -9.947 -2.732 0.00 0.00 +0.145 HD ENDBRANCH 140 141 BRANCH 140 146 ATOM 146 C UNK A 12 4.610 -7.204 -1.129 0.00 0.00 +0.032 C BRANCH 146 147 ATOM 147 C UNK A 12 5.163 -6.760 0.233 0.00 0.00 +0.004 C BRANCH 147 148 ATOM 148 C UNK A 12 5.932 -7.871 0.962 0.00 0.00 +0.019 C BRANCH 148 149 ATOM 149 C UNK A 7 6.454 -7.435 2.328 0.00 0.00 +0.104 C BRANCH 149 150 ATOM 150 N UNK A 7 5.412 -7.368 3.344 0.00 0.00 -0.315 N ATOM 151 H UNK A 7 5.189 -8.230 3.825 0.00 0.00 +0.149 HD ATOM 152 C UNK A 7 5.053 -6.173 3.928 0.00 0.00 +0.213 C ATOM 153 O UNK A 7 5.328 -5.079 3.452 0.00 0.00 -0.276 OA BRANCH 152 154 ATOM 154 C UNK A 7 4.306 -6.314 5.238 0.00 0.00 +0.098 C BRANCH 154 155 ATOM 155 C UNK A 7 2.802 -6.065 5.140 0.00 0.00 +0.041 C BRANCH 155 156 ATOM 156 C UNK A 7 2.392 -4.616 4.829 0.00 0.00 +0.159 C ATOM 157 C UNK A 7 0.850 -4.508 4.885 0.00 0.00 +0.234 C ATOM 158 O UNK A 7 0.159 -4.385 3.873 0.00 0.00 -0.274 OA ATOM 159 N PHE A 1 0.318 -4.638 6.160 0.00 0.00 -0.302 N ATOM 160 H PHE A 1 0.116 -5.616 6.376 0.00 0.00 +0.150 HD ATOM 161 CA PHE A 1 -0.876 -3.840 6.459 0.00 0.00 +0.163 C ATOM 162 C PHE A 1 -2.175 -4.558 6.047 0.00 0.00 +0.234 C ATOM 163 O PHE A 1 -2.256 -5.786 6.043 0.00 0.00 -0.274 OA ATOM 164 N UNK A 2 -3.279 -3.783 5.775 0.00 0.00 -0.302 N ATOM 165 H UNK A 2 -4.120 -4.346 5.678 0.00 0.00 +0.150 HD ATOM 166 C UNK A 2 -3.241 -2.653 4.831 0.00 0.00 +0.163 C ATOM 167 C UNK A 2 -4.255 -1.543 5.175 0.00 0.00 +0.234 C ATOM 168 O UNK A 2 -5.288 -1.759 5.817 0.00 0.00 -0.274 OA ATOM 169 N ARG A 3 -4.025 -0.269 4.710 0.00 0.00 -0.302 N ATOM 170 H ARG A 3 -4.765 0.392 4.958 0.00 0.00 +0.150 HD ATOM 171 CA ARG A 3 -2.717 0.337 4.452 0.00 0.00 +0.159 C ATOM 172 C ARG A 3 -2.646 1.807 4.913 0.00 0.00 +0.234 C ATOM 173 O ARG A 3 -3.569 2.596 4.732 0.00 0.00 -0.274 OA ATOM 174 N UNK A 4 -1.473 2.240 5.508 0.00 0.00 -0.302 N ATOM 175 H UNK A 4 -1.552 3.243 5.668 0.00 0.00 +0.150 HD ATOM 176 C UNK A 4 -0.911 1.495 6.642 0.00 0.00 +0.159 C ATOM 177 C UNK A 4 0.098 0.370 6.307 0.00 0.00 +0.234 C ATOM 178 O UNK A 4 -0.168 -0.804 6.550 0.00 0.00 -0.274 OA ATOM 179 N ARG A 5 1.337 0.669 5.802 0.00 0.00 -0.302 N ATOM 180 H ARG A 5 1.942 -0.118 6.029 0.00 0.00 +0.150 HD ATOM 181 CA ARG A 5 1.458 1.049 4.391 0.00 0.00 +0.159 C ATOM 182 C ARG A 5 1.394 -0.186 3.449 0.00 0.00 +0.234 C ATOM 183 O ARG A 5 0.764 -0.115 2.388 0.00 0.00 -0.274 OA ATOM 184 N ARG A 6 2.061 -1.355 3.676 0.00 0.00 -0.302 N ATOM 185 H ARG A 6 1.824 -2.044 2.967 0.00 0.00 +0.150 HD ATOM 186 CA ARG A 6 3.310 -1.587 4.399 0.00 0.00 +0.159 C ATOM 187 C ARG A 6 3.082 -2.334 5.729 0.00 0.00 +0.234 C ATOM 188 O ARG A 6 3.004 -1.662 6.768 0.00 0.00 -0.274 OA ATOM 189 N UNK A 7 2.907 -3.680 5.836 0.00 0.00 -0.302 N ATOM 190 H UNK A 7 2.628 -3.901 6.788 0.00 0.00 +0.150 HD BRANCH 176 191 ATOM 191 C UNK A 4 -0.332 2.427 7.721 0.00 0.00 +0.033 C BRANCH 191 192 ATOM 192 C UNK A 4 0.000 1.626 8.987 0.00 0.00 +0.023 C BRANCH 192 193 ATOM 193 C UNK A 4 0.265 2.498 10.213 0.00 0.00 +0.115 C BRANCH 193 194 ATOM 194 N UNK A 4 0.353 1.641 11.383 0.00 0.00 -0.356 N ATOM 195 H UNK A 4 1.135 1.832 11.999 0.00 0.00 +0.162 HD BRANCH 194 196 ATOM 196 C UNK A 4 -0.750 1.163 12.004 0.00 0.00 +0.188 C ATOM 197 N UNK A 4 -1.956 1.429 11.661 0.00 0.00 -0.269 NA ATOM 198 H UNK A 4 -2.604 0.945 12.284 0.00 0.00 +0.190 HD BRANCH 196 199 ATOM 199 N UNK A 4 -0.431 0.327 13.013 0.00 0.00 -0.370 N ATOM 200 H UNK A 4 -1.187 -0.295 13.286 0.00 0.00 +0.159 HD ATOM 201 H UNK A 4 0.393 -0.223 12.799 0.00 0.00 +0.159 HD ENDBRANCH 196 199 ENDBRANCH 194 196 ENDBRANCH 193 194 ENDBRANCH 192 193 ENDBRANCH 191 192 ENDBRANCH 176 191 BRANCH 181 202 ATOM 202 CB ARG A 5 2.697 1.911 4.123 0.00 0.00 +0.033 C BRANCH 202 203 ATOM 203 CG ARG A 5 2.777 3.184 4.981 0.00 0.00 +0.023 C BRANCH 203 204 ATOM 204 CD ARG A 5 1.695 4.211 4.656 0.00 0.00 +0.115 C BRANCH 204 205 ATOM 205 NE ARG A 5 1.689 5.241 5.685 0.00 0.00 -0.356 N ATOM 206 HE ARG A 5 2.596 5.675 5.823 0.00 0.00 +0.162 HD BRANCH 205 207 ATOM 207 CZ ARG A 5 0.682 6.142 5.738 0.00 0.00 +0.188 C ATOM 208 NH1 ARG A 5 -0.381 6.088 5.024 0.00 0.00 -0.269 NA ATOM 209 HH1 ARG A 5 -0.986 6.888 5.219 0.00 0.00 +0.190 HD BRANCH 207 210 ATOM 210 NH2 ARG A 5 0.932 7.106 6.645 0.00 0.00 -0.370 N ATOM 211 HH21 ARG A 5 1.350 6.729 7.489 0.00 0.00 +0.159 HD ATOM 212 HH22 ARG A 5 0.130 7.677 6.879 0.00 0.00 +0.159 HD ENDBRANCH 207 210 ENDBRANCH 205 207 ENDBRANCH 204 205 ENDBRANCH 203 204 ENDBRANCH 202 203 ENDBRANCH 181 202 BRANCH 186 213 ATOM 213 CB ARG A 6 4.385 -2.192 3.500 0.00 0.00 +0.033 C BRANCH 213 214 ATOM 214 CG ARG A 6 4.962 -1.185 2.499 0.00 0.00 +0.023 C BRANCH 214 215 ATOM 215 CD ARG A 6 5.957 -1.872 1.567 0.00 0.00 +0.115 C BRANCH 215 216 ATOM 216 NE ARG A 6 6.465 -0.927 0.588 0.00 0.00 -0.356 N ATOM 217 HE ARG A 6 6.818 -0.065 0.982 0.00 0.00 +0.162 HD BRANCH 216 218 ATOM 218 CZ ARG A 6 7.206 -1.365 -0.456 0.00 0.00 +0.188 C ATOM 219 NH1 ARG A 6 7.293 -2.597 -0.808 0.00 0.00 -0.269 NA ATOM 220 HH1 ARG A 6 7.976 -2.681 -1.574 0.00 0.00 +0.190 HD BRANCH 218 221 ATOM 221 NH2 ARG A 6 7.843 -0.357 -1.083 0.00 0.00 -0.370 N ATOM 222 HH21 ARG A 6 8.130 -0.573 -2.033 0.00 0.00 +0.159 HD ATOM 223 HH22 ARG A 6 7.295 0.506 -1.112 0.00 0.00 +0.159 HD ENDBRANCH 218 221 ENDBRANCH 216 218 ENDBRANCH 215 216 ENDBRANCH 214 215 ENDBRANCH 213 214 ENDBRANCH 186 213 BRANCH 161 224 ATOM 224 CB PHE A 1 -0.921 -3.408 7.938 0.00 0.00 +0.067 C BRANCH 224 225 ATOM 225 CG PHE A 1 -1.264 -4.476 8.955 0.00 0.00 -0.045 A ATOM 226 CD2 PHE A 1 -0.364 -5.505 9.268 0.00 0.00 +0.004 A ATOM 227 CE2 PHE A 1 -0.701 -6.482 10.208 0.00 0.00 +0.000 A ATOM 228 CZ PHE A 1 -1.934 -6.434 10.860 0.00 0.00 +0.000 A ATOM 229 CE1 PHE A 1 -2.831 -5.410 10.562 0.00 0.00 +0.000 A ATOM 230 CD1 PHE A 1 -2.504 -4.437 9.618 0.00 0.00 +0.004 A ENDBRANCH 224 225 ENDBRANCH 161 224 BRANCH 166 231 ATOM 231 C UNK A 2 -3.390 -3.122 3.369 0.00 0.00 +0.067 C BRANCH 231 232 ATOM 232 C UNK A 2 -4.514 -4.090 3.084 0.00 0.00 -0.045 A ATOM 233 C UNK A 2 -4.224 -5.435 2.811 0.00 0.00 +0.012 A ATOM 234 C UNK A 2 -5.242 -6.354 2.507 0.00 0.00 -0.018 A ATOM 235 C UNK A 2 -6.584 -5.915 2.486 0.00 0.00 -0.018 A ATOM 236 C UNK A 2 -7.601 -6.833 2.176 0.00 0.00 +0.008 A ATOM 237 C UNK A 2 -7.298 -8.168 1.899 0.00 0.00 +0.001 A ATOM 238 C UNK A 2 -5.976 -8.602 1.927 0.00 0.00 +0.001 A ATOM 239 C UNK A 2 -6.871 -4.573 2.778 0.00 0.00 +0.009 A ATOM 240 C UNK A 2 -4.956 -7.701 2.232 0.00 0.00 +0.008 A ATOM 241 C UNK A 2 -5.847 -3.669 3.081 0.00 0.00 +0.004 A ENDBRANCH 231 232 ENDBRANCH 166 231 BRANCH 171 242 ATOM 242 CB ARG A 3 -2.241 0.237 2.999 0.00 0.00 +0.033 C BRANCH 242 243 ATOM 243 CG ARG A 3 -3.295 0.540 1.929 0.00 0.00 +0.023 C BRANCH 243 244 ATOM 244 CD ARG A 3 -2.814 0.105 0.543 0.00 0.00 +0.115 C BRANCH 244 245 ATOM 245 NE ARG A 3 -1.807 0.991 -0.050 0.00 0.00 -0.356 N ATOM 246 HE ARG A 3 -1.287 1.396 0.730 0.00 0.00 +0.162 HD BRANCH 245 247 ATOM 247 CZ ARG A 3 -2.256 2.024 -0.803 0.00 0.00 +0.188 C ATOM 248 NH1 ARG A 3 -2.911 3.004 -0.302 0.00 0.00 -0.269 NA ATOM 249 HH1 ARG A 3 -3.119 3.668 -1.067 0.00 0.00 +0.190 HD BRANCH 247 250 ATOM 250 NH2 ARG A 3 -1.924 1.922 -2.104 0.00 0.00 -0.370 N ATOM 251 HH21 ARG A 3 -2.082 2.801 -2.600 0.00 0.00 +0.159 HD ATOM 252 HH22 ARG A 3 -0.924 1.705 -2.205 0.00 0.00 +0.159 HD ENDBRANCH 247 250 ENDBRANCH 245 247 ENDBRANCH 244 245 ENDBRANCH 243 244 ENDBRANCH 242 243 ENDBRANCH 171 242 ENDBRANCH 155 156 ENDBRANCH 154 155 ENDBRANCH 152 154 ENDBRANCH 149 150 ENDBRANCH 148 149 ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 140 146 ENDBRANCH 137 140 ENDBRANCH 135 136 ENDBRANCH 134 135 ENDBRANCH 133 134 ENDBRANCH 132 133 ENDBRANCH 131 132 ENDBRANCH 130 131 ENDBRANCH 129 130 ENDBRANCH 2 129 TORSDOF 82