REMARK Name = BDB064800 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LEU A 11 4.687 1.044 -0.549 0.00 0.00 +0.159 C ATOM 2 C LEU A 11 5.301 0.420 0.727 0.00 0.00 +0.234 C ATOM 3 O LEU A 11 6.321 0.893 1.230 0.00 0.00 -0.274 OA ATOM 4 N LYS A 1 4.763 -0.689 1.298 0.00 0.00 -0.302 N ATOM 5 H LYS A 1 5.201 -0.900 2.192 0.00 0.00 +0.150 HD ATOM 6 CA LYS A 1 3.503 -1.417 1.061 0.00 0.00 +0.159 C ATOM 7 C LYS A 1 3.035 -1.923 2.451 0.00 0.00 +0.234 C ATOM 8 O LYS A 1 3.693 -1.635 3.461 0.00 0.00 -0.274 OA ATOM 9 N LYS A 2 1.906 -2.644 2.645 0.00 0.00 -0.302 N ATOM 10 H LYS A 2 1.687 -2.685 3.634 0.00 0.00 +0.150 HD ATOM 11 CA LYS A 2 0.900 -3.232 1.738 0.00 0.00 +0.159 C ATOM 12 C LYS A 2 0.055 -2.079 1.152 0.00 0.00 +0.234 C ATOM 13 O LYS A 2 0.006 -0.979 1.723 0.00 0.00 -0.274 OA ATOM 14 N LEU A 3 -0.629 -2.163 -0.017 0.00 0.00 -0.302 N ATOM 15 H LEU A 3 -1.147 -1.286 -0.132 0.00 0.00 +0.150 HD ATOM 16 CA LEU A 3 -1.271 -3.236 -0.782 0.00 0.00 +0.159 C ATOM 17 C LEU A 3 -2.603 -3.634 -0.110 0.00 0.00 +0.234 C ATOM 18 O LEU A 3 -2.642 -4.217 0.979 0.00 0.00 -0.274 OA ATOM 19 N ASP A 4 -3.799 -3.301 -0.674 0.00 0.00 -0.302 N ATOM 20 H ASP A 4 -4.589 -3.742 -0.218 0.00 0.00 +0.150 HD ATOM 21 CA ASP A 4 -4.087 -2.634 -1.939 0.00 0.00 +0.169 C ATOM 22 C ASP A 4 -5.356 -1.757 -1.932 0.00 0.00 +0.234 C ATOM 23 O ASP A 4 -6.114 -1.739 -2.916 0.00 0.00 -0.274 OA ATOM 24 N GLU A 5 -5.644 -0.848 -0.969 0.00 0.00 -0.302 N ATOM 25 H GLU A 5 -6.490 -0.346 -1.223 0.00 0.00 +0.150 HD ATOM 26 CA GLU A 5 -5.149 -0.523 0.375 0.00 0.00 +0.159 C ATOM 27 C GLU A 5 -3.690 -0.014 0.428 0.00 0.00 +0.234 C ATOM 28 O GLU A 5 -2.786 -0.489 -0.261 0.00 0.00 -0.274 OA ATOM 29 N GLU A 6 -3.357 0.960 1.335 0.00 0.00 -0.302 N ATOM 30 H GLU A 6 -2.354 1.134 1.348 0.00 0.00 +0.150 HD ATOM 31 CA GLU A 6 -4.195 2.126 1.663 0.00 0.00 +0.159 C ATOM 32 C GLU A 6 -3.297 3.381 1.591 0.00 0.00 +0.234 C ATOM 33 O GLU A 6 -2.926 3.967 2.613 0.00 0.00 -0.274 OA ATOM 34 N THR A 7 -2.826 3.819 0.387 0.00 0.00 -0.300 N ATOM 35 H THR A 7 -2.242 4.648 0.507 0.00 0.00 +0.150 HD ATOM 36 CA THR A 7 -3.208 3.386 -0.963 0.00 0.00 +0.187 C ATOM 37 C THR A 7 -1.999 3.311 -1.929 0.00 0.00 +0.236 C ATOM 38 O THR A 7 -1.738 2.245 -2.501 0.00 0.00 -0.274 OA ATOM 39 N GLY A 8 -1.224 4.376 -2.257 0.00 0.00 -0.305 N ATOM 40 H GLY A 8 -0.498 4.124 -2.924 0.00 0.00 +0.149 HD ATOM 41 CA GLY A 8 -1.252 5.760 -1.822 0.00 0.00 +0.200 C ATOM 42 C GLY A 8 -0.449 5.966 -0.532 0.00 0.00 +0.231 C ATOM 43 O GLY A 8 -1.026 5.963 0.554 0.00 0.00 -0.274 OA ATOM 44 N GLU A 9 0.908 6.069 -0.565 0.00 0.00 -0.303 N ATOM 45 H GLU A 9 1.318 6.134 0.361 0.00 0.00 +0.149 HD ATOM 46 CA GLU A 9 1.773 5.839 -1.717 0.00 0.00 +0.159 C ATOM 47 C GLU A 9 1.918 4.327 -2.015 0.00 0.00 +0.234 C ATOM 48 O GLU A 9 1.690 3.918 -3.157 0.00 0.00 -0.274 OA ATOM 49 N PHE A 10 2.265 3.406 -1.074 0.00 0.00 -0.302 N ATOM 50 H PHE A 10 2.349 2.485 -1.480 0.00 0.00 +0.150 HD ATOM 51 CA PHE A 10 2.892 3.607 0.236 0.00 0.00 +0.163 C ATOM 52 C PHE A 10 4.423 3.532 0.060 0.00 0.00 +0.234 C ATOM 53 O PHE A 10 5.132 4.481 0.407 0.00 0.00 -0.274 OA ATOM 54 N LEU A 11 5.054 2.468 -0.516 0.00 0.00 -0.302 N ATOM 55 H LEU A 11 6.059 2.609 -0.423 0.00 0.00 +0.150 HD ENDROOT BRANCH 36 56 ATOM 56 CB THR A 7 -4.405 4.183 -1.535 0.00 0.00 +0.141 C ATOM 57 CG2 THR A 7 -4.806 3.706 -2.929 0.00 0.00 +0.040 C BRANCH 56 58 ATOM 58 OG1 THR A 7 -5.549 4.010 -0.681 0.00 0.00 -0.390 OA ATOM 59 HG1 THR A 7 -6.247 4.612 -1.002 0.00 0.00 +0.210 HD ENDBRANCH 56 58 ENDBRANCH 36 56 BRANCH 11 60 ATOM 60 CB LYS A 2 0.023 -4.235 2.512 0.00 0.00 +0.032 C BRANCH 60 61 ATOM 61 CG LYS A 2 0.741 -5.208 3.468 0.00 0.00 +0.003 C BRANCH 61 62 ATOM 62 CD LYS A 2 1.879 -6.023 2.854 0.00 0.00 +0.015 C BRANCH 62 63 ATOM 63 CE LYS A 2 1.393 -7.102 1.889 0.00 0.00 +0.077 C BRANCH 63 64 ATOM 64 NZ LYS A 2 2.538 -7.786 1.298 0.00 0.00 -0.330 NA ATOM 65 HZ1 LYS A 2 3.098 -8.220 2.034 0.00 0.00 +0.118 HD ATOM 66 HZ2 LYS A 2 2.206 -8.560 0.718 0.00 0.00 +0.118 HD ENDBRANCH 63 64 ENDBRANCH 62 63 ENDBRANCH 61 62 ENDBRANCH 60 61 ENDBRANCH 11 60 BRANCH 1 67 ATOM 67 CB LEU A 11 5.313 0.366 -1.781 0.00 0.00 +0.034 C BRANCH 67 69 ATOM 68 CD1 LEU A 11 4.519 1.815 -3.724 0.00 0.00 +0.007 C ATOM 69 CG LEU A 11 4.430 0.451 -3.040 0.00 0.00 -0.015 C ATOM 70 CD2 LEU A 11 4.844 -0.638 -4.039 0.00 0.00 +0.007 C ENDBRANCH 67 69 ENDBRANCH 1 67 BRANCH 51 71 ATOM 71 CB PHE A 10 2.315 2.667 1.302 0.00 0.00 +0.067 C BRANCH 71 72 ATOM 72 CG PHE A 10 2.558 3.164 2.706 0.00 0.00 -0.045 A ATOM 73 CD2 PHE A 10 3.776 2.908 3.353 0.00 0.00 +0.004 A ATOM 74 CE2 PHE A 10 4.007 3.386 4.646 0.00 0.00 +0.000 A ATOM 75 CZ PHE A 10 3.026 4.127 5.303 0.00 0.00 +0.000 A ATOM 76 CE1 PHE A 10 1.814 4.389 4.667 0.00 0.00 +0.000 A ATOM 77 CD1 PHE A 10 1.580 3.914 3.371 0.00 0.00 +0.004 A ENDBRANCH 71 72 ENDBRANCH 51 71 BRANCH 6 78 ATOM 78 CB LYS A 1 3.721 -2.509 0.016 0.00 0.00 +0.032 C BRANCH 78 79 ATOM 79 CG LYS A 1 4.696 -3.615 0.438 0.00 0.00 +0.003 C BRANCH 79 80 ATOM 80 CD LYS A 1 4.713 -4.748 -0.596 0.00 0.00 +0.015 C BRANCH 80 81 ATOM 81 CE LYS A 1 5.710 -5.863 -0.268 0.00 0.00 +0.077 C BRANCH 81 82 ATOM 82 NZ LYS A 1 5.369 -6.591 0.948 0.00 0.00 -0.330 NA ATOM 83 HZ1 LYS A 1 4.390 -6.913 0.888 0.00 0.00 +0.118 HD ATOM 84 HZ2 LYS A 1 5.392 -5.958 1.749 0.00 0.00 +0.118 HD ENDBRANCH 81 82 ENDBRANCH 80 81 ENDBRANCH 79 80 ENDBRANCH 78 79 ENDBRANCH 6 78 BRANCH 46 85 ATOM 85 CB GLU A 9 3.128 6.543 -1.582 0.00 0.00 +0.043 C BRANCH 85 86 ATOM 86 CG GLU A 9 3.025 8.066 -1.583 0.00 0.00 +0.123 C BRANCH 86 87 ATOM 87 CD GLU A 9 2.598 8.606 -2.921 0.00 0.00 +0.305 C ATOM 88 OE1 GLU A 9 1.448 8.686 -3.328 0.00 0.00 -0.251 OA BRANCH 87 89 ATOM 89 OE2 GLU A 9 3.627 8.966 -3.697 0.00 0.00 -0.481 OA ATOM 90 HE2 GLU A 9 3.222 9.274 -4.533 0.00 0.00 +0.295 HD ENDBRANCH 87 89 ENDBRANCH 86 87 ENDBRANCH 85 86 ENDBRANCH 46 85 BRANCH 21 91 ATOM 91 CB ASP A 4 -4.130 -3.650 -3.088 0.00 0.00 +0.152 C BRANCH 91 92 ATOM 92 CG ASP A 4 -5.318 -4.567 -3.084 0.00 0.00 +0.307 C ATOM 93 OD1 ASP A 4 -5.676 -5.254 -4.030 0.00 0.00 -0.251 OA BRANCH 92 94 ATOM 94 OD2 ASP A 4 -5.955 -4.679 -1.904 0.00 0.00 -0.481 OA ATOM 95 HD2 ASP A 4 -6.697 -5.290 -2.111 0.00 0.00 +0.295 HD ENDBRANCH 92 94 ENDBRANCH 91 92 ENDBRANCH 21 91 BRANCH 31 96 ATOM 96 CB GLU A 6 -4.831 1.961 3.046 0.00 0.00 +0.043 C BRANCH 96 97 ATOM 97 CG GLU A 6 -5.932 2.993 3.302 0.00 0.00 +0.123 C BRANCH 97 98 ATOM 98 CD GLU A 6 -6.545 2.811 4.660 0.00 0.00 +0.305 C ATOM 99 OE1 GLU A 6 -6.356 1.896 5.443 0.00 0.00 -0.251 OA BRANCH 98 100 ATOM 100 OE2 GLU A 6 -7.379 3.824 4.976 0.00 0.00 -0.481 OA ATOM 101 HE2 GLU A 6 -7.671 3.610 5.886 0.00 0.00 +0.295 HD ENDBRANCH 98 100 ENDBRANCH 97 98 ENDBRANCH 96 97 ENDBRANCH 31 96 BRANCH 26 102 ATOM 102 CB GLU A 5 -5.401 -1.579 1.463 0.00 0.00 +0.043 C BRANCH 102 103 ATOM 103 CG GLU A 5 -6.780 -2.241 1.429 0.00 0.00 +0.123 C BRANCH 103 104 ATOM 104 CD GLU A 5 -7.900 -1.285 1.745 0.00 0.00 +0.305 C ATOM 105 OE1 GLU A 5 -7.828 -0.072 1.854 0.00 0.00 -0.251 OA BRANCH 104 106 ATOM 106 OE2 GLU A 5 -9.073 -1.929 1.879 0.00 0.00 -0.481 OA ATOM 107 HE2 GLU A 5 -9.716 -1.215 2.097 0.00 0.00 +0.295 HD ENDBRANCH 104 106 ENDBRANCH 103 104 ENDBRANCH 102 103 ENDBRANCH 26 102 BRANCH 16 108 ATOM 108 CB LEU A 3 -0.464 -4.485 -1.149 0.00 0.00 +0.034 C BRANCH 108 109 ATOM 109 CG LEU A 3 0.668 -4.280 -2.179 0.00 0.00 -0.015 C ATOM 110 CD2 LEU A 3 0.186 -3.697 -3.510 0.00 0.00 +0.007 C ATOM 111 CD1 LEU A 3 1.348 -5.636 -2.438 0.00 0.00 +0.007 C ENDBRANCH 108 109 ENDBRANCH 16 108 TORSDOF 33