REMARK Name = BDB032999 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ASN A 7 0.251 -1.256 -4.357 0.00 0.00 +0.168 C ENDROOT BRANCH 1 2 ATOM 2 C ASN A 7 -0.008 -2.304 -5.469 0.00 0.00 +0.234 C ATOM 3 N ARG A 8 -0.865 -3.356 -5.374 0.00 0.00 -0.302 N ATOM 4 H ARG A 8 -0.876 -3.861 -6.252 0.00 0.00 +0.150 HD ATOM 5 O ASN A 7 0.719 -2.313 -6.471 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 CA ARG A 8 -1.978 -3.598 -4.451 0.00 0.00 +0.159 C BRANCH 6 7 ATOM 7 C ARG A 8 -1.487 -4.355 -3.199 0.00 0.00 +0.234 C ATOM 8 N ARG A 9 -0.487 -5.284 -3.446 0.00 0.00 -0.302 N ATOM 9 H ARG A 9 -0.314 -5.382 -4.437 0.00 0.00 +0.150 HD ATOM 10 O ARG A 8 -2.066 -4.268 -2.121 0.00 0.00 -0.274 OA BRANCH 8 11 ATOM 11 CA ARG A 9 -0.491 -6.529 -2.670 0.00 0.00 +0.159 C BRANCH 11 12 ATOM 12 C ARG A 9 -0.338 -6.356 -1.142 0.00 0.00 +0.234 C ATOM 13 N ALA A 10 0.588 -5.426 -0.748 0.00 0.00 -0.303 N ATOM 14 H ALA A 10 1.212 -5.057 -1.469 0.00 0.00 +0.149 HD ATOM 15 O ARG A 9 -0.915 -7.094 -0.345 0.00 0.00 -0.274 OA BRANCH 13 16 ATOM 16 CA ALA A 10 0.947 -5.259 0.647 0.00 0.00 +0.156 C ATOM 17 CB ALA A 10 1.991 -6.298 1.056 0.00 0.00 +0.038 C BRANCH 16 18 ATOM 18 C ALA A 10 1.456 -3.814 0.887 0.00 0.00 +0.234 C ATOM 19 N SER A 11 1.742 -3.534 2.205 0.00 0.00 -0.301 N ATOM 20 H SER A 11 1.615 -4.300 2.855 0.00 0.00 +0.150 HD ATOM 21 O ALA A 10 1.556 -2.963 0.001 0.00 0.00 -0.274 OA BRANCH 19 22 ATOM 22 CA SER A 11 2.748 -2.552 2.631 0.00 0.00 +0.184 C BRANCH 22 23 ATOM 23 C SER A 11 2.487 -1.054 2.407 0.00 0.00 +0.236 C ATOM 24 N PHE A 12 1.344 -0.705 1.719 0.00 0.00 -0.302 N ATOM 25 H PHE A 12 0.940 -1.444 1.147 0.00 0.00 +0.150 HD ATOM 26 O SER A 11 3.281 -0.222 2.846 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 CA PHE A 12 1.123 0.684 1.300 0.00 0.00 +0.163 C BRANCH 27 28 ATOM 28 C PHE A 12 -0.267 1.347 1.499 0.00 0.00 +0.237 C ATOM 29 N PRO A 13 -1.306 0.705 2.129 0.00 0.00 -0.286 N ATOM 30 CA PRO A 13 -2.516 1.461 2.481 0.00 0.00 +0.184 C ATOM 31 CB PRO A 13 -3.548 0.393 2.821 0.00 0.00 +0.035 C ATOM 32 CG PRO A 13 -2.702 -0.740 3.397 0.00 0.00 +0.021 C ATOM 33 CD PRO A 13 -1.381 -0.653 2.640 0.00 0.00 +0.109 C ATOM 34 O PHE A 12 -0.410 2.527 1.140 0.00 0.00 -0.274 OA BRANCH 30 35 ATOM 35 C PRO A 13 -2.182 2.318 3.702 0.00 0.00 +0.325 C ATOM 36 O PRO A 13 -1.548 1.943 4.682 0.00 0.00 -0.249 OA BRANCH 35 37 ATOM 37 OXT PRO A 13 -2.605 3.590 3.594 0.00 0.00 -0.479 OA ATOM 38 HXT PRO A 13 -2.097 4.108 4.275 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 CB PHE A 12 1.576 0.884 -0.159 0.00 0.00 +0.067 C BRANCH 39 40 ATOM 40 CG PHE A 12 3.052 1.183 -0.299 0.00 0.00 -0.045 A ATOM 41 CD2 PHE A 12 3.924 0.253 -0.873 0.00 0.00 +0.004 A ATOM 42 CE2 PHE A 12 5.279 0.547 -1.029 0.00 0.00 +0.000 A ATOM 43 CZ PHE A 12 5.774 1.787 -0.631 0.00 0.00 +0.000 A ATOM 44 CE1 PHE A 12 4.912 2.729 -0.069 0.00 0.00 +0.000 A ATOM 45 CD1 PHE A 12 3.560 2.427 0.098 0.00 0.00 +0.004 A ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 24 27 ENDBRANCH 22 23 BRANCH 22 46 ATOM 46 CB SER A 11 4.181 -2.907 2.176 0.00 0.00 +0.187 C BRANCH 46 47 ATOM 47 OG SER A 11 4.428 -2.609 0.797 0.00 0.00 -0.393 OA ATOM 48 H SER A 11 4.812 -1.705 0.800 0.00 0.00 +0.209 HD ENDBRANCH 46 47 ENDBRANCH 22 46 ENDBRANCH 19 22 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 11 12 BRANCH 11 49 ATOM 49 CB ARG A 9 0.534 -7.575 -3.160 0.00 0.00 +0.033 C BRANCH 49 50 ATOM 50 CG ARG A 9 1.683 -7.128 -4.080 0.00 0.00 +0.023 C BRANCH 50 51 ATOM 51 CD ARG A 9 2.932 -6.623 -3.358 0.00 0.00 +0.115 C BRANCH 51 52 ATOM 52 NE ARG A 9 2.735 -5.312 -2.756 0.00 0.00 -0.356 N ATOM 53 HE ARG A 9 2.369 -4.643 -3.423 0.00 0.00 +0.162 HD BRANCH 52 54 ATOM 54 CZ ARG A 9 3.740 -4.790 -2.002 0.00 0.00 +0.188 C ATOM 55 NH1 ARG A 9 4.723 -5.460 -1.522 0.00 0.00 -0.269 NA ATOM 56 HH1 ARG A 9 5.342 -4.844 -0.996 0.00 0.00 +0.190 HD BRANCH 54 57 ATOM 57 NH2 ARG A 9 3.572 -3.476 -1.744 0.00 0.00 -0.370 N ATOM 58 HH21 ARG A 9 4.138 -3.180 -0.936 0.00 0.00 +0.159 HD ATOM 59 HH22 ARG A 9 2.611 -3.264 -1.461 0.00 0.00 +0.159 HD ENDBRANCH 54 57 ENDBRANCH 52 54 ENDBRANCH 51 52 ENDBRANCH 50 51 ENDBRANCH 49 50 ENDBRANCH 11 49 ENDBRANCH 8 11 ENDBRANCH 6 7 BRANCH 6 60 ATOM 60 CB ARG A 8 -3.067 -4.454 -5.126 0.00 0.00 +0.033 C BRANCH 60 61 ATOM 61 CG ARG A 8 -3.711 -3.798 -6.355 0.00 0.00 +0.023 C BRANCH 61 62 ATOM 62 CD ARG A 8 -4.561 -2.567 -6.009 0.00 0.00 +0.115 C BRANCH 62 63 ATOM 63 NE ARG A 8 -4.826 -1.777 -7.191 0.00 0.00 -0.356 N ATOM 64 HE ARG A 8 -5.601 -2.090 -7.768 0.00 0.00 +0.162 HD BRANCH 63 65 ATOM 65 CZ ARG A 8 -3.923 -1.084 -7.910 0.00 0.00 +0.188 C ATOM 66 NH1 ARG A 8 -4.179 -0.804 -9.140 0.00 0.00 -0.269 NA ATOM 67 HH1 ARG A 8 -3.382 -0.303 -9.534 0.00 0.00 +0.190 HD BRANCH 65 68 ATOM 68 NH2 ARG A 8 -2.792 -0.696 -7.285 0.00 0.00 -0.370 N ATOM 69 HH21 ARG A 8 -2.917 -0.468 -6.295 0.00 0.00 +0.159 HD ATOM 70 HH22 ARG A 8 -2.316 0.086 -7.708 0.00 0.00 +0.159 HD ENDBRANCH 65 68 ENDBRANCH 63 65 ENDBRANCH 62 63 ENDBRANCH 61 62 ENDBRANCH 60 61 ENDBRANCH 6 60 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 72 ATOM 71 C LEU A 6 -1.831 -0.344 -3.427 0.00 0.00 +0.234 C ATOM 72 N ASN A 7 -0.704 -1.143 -3.247 0.00 0.00 -0.302 N ATOM 73 H ASN A 7 -0.288 -1.050 -2.331 0.00 0.00 +0.150 HD ATOM 74 O LEU A 6 -2.387 -0.235 -4.516 0.00 0.00 -0.274 OA BRANCH 71 75 ATOM 75 CA LEU A 6 -2.310 0.337 -2.112 0.00 0.00 +0.159 C BRANCH 75 76 ATOM 76 N LEU A 6 -2.902 1.643 -2.342 0.00 0.00 -0.302 N ATOM 77 H LEU A 6 -3.428 2.053 -1.565 0.00 0.00 +0.150 HD ATOM 78 C ARG A 5 -2.140 2.581 -3.033 0.00 0.00 +0.234 C ATOM 79 O ARG A 5 -1.122 2.270 -3.640 0.00 0.00 -0.274 OA BRANCH 78 80 ATOM 80 CA ARG A 5 -2.650 4.021 -2.872 0.00 0.00 +0.159 C BRANCH 80 81 ATOM 81 N ARG A 5 -2.126 4.608 -1.641 0.00 0.00 -0.302 N ATOM 82 H ARG A 5 -1.133 4.870 -1.638 0.00 0.00 +0.150 HD ATOM 83 C SER A 4 -2.768 4.417 -0.440 0.00 0.00 +0.236 C ATOM 84 O SER A 4 -3.645 3.557 -0.308 0.00 0.00 -0.274 OA BRANCH 83 85 ATOM 85 CA SER A 4 -2.402 5.403 0.684 0.00 0.00 +0.184 C BRANCH 85 86 ATOM 86 N SER A 4 -1.019 5.258 1.170 0.00 0.00 -0.300 N ATOM 87 H SER A 4 -0.643 4.306 1.164 0.00 0.00 +0.150 HD ATOM 88 C THR A 3 -0.607 6.044 2.229 0.00 0.00 +0.237 C ATOM 89 O THR A 3 -1.327 6.923 2.705 0.00 0.00 -0.274 OA BRANCH 88 90 ATOM 90 CA THR A 3 0.852 5.895 2.701 0.00 0.00 +0.187 C BRANCH 90 91 ATOM 91 N THR A 3 1.214 4.611 3.326 0.00 0.00 -0.300 N ATOM 92 H THR A 3 2.219 4.460 3.273 0.00 0.00 +0.150 HD ATOM 93 C PHE A 2 0.628 4.275 4.529 0.00 0.00 +0.234 C ATOM 94 O PHE A 2 -0.521 4.653 4.801 0.00 0.00 -0.274 OA BRANCH 93 95 ATOM 95 CA PHE A 2 1.471 3.476 5.562 0.00 0.00 +0.163 C BRANCH 95 96 ATOM 96 N PHE A 2 0.539 2.665 6.356 0.00 0.00 -0.302 N ATOM 97 H PHE A 2 -0.431 2.576 6.036 0.00 0.00 +0.150 HD ATOM 98 C ASN A 1 0.841 2.186 7.607 0.00 0.00 +0.231 C ATOM 99 O ASN A 1 1.932 2.354 8.142 0.00 0.00 -0.274 OA BRANCH 98 100 ATOM 100 CA ASN A 1 -0.285 1.367 8.268 0.00 0.00 +0.146 C BRANCH 100 101 ATOM 101 N ASN A 1 -1.550 2.145 8.239 0.00 0.00 -0.320 NA ATOM 102 H1 ASN A 1 -2.243 1.634 8.793 0.00 0.00 +0.119 HD ATOM 103 H2 ASN A 1 -1.388 3.008 8.770 0.00 0.00 +0.119 HD ENDBRANCH 100 101 BRANCH 100 104 ATOM 104 CB ASN A 1 -0.436 0.040 7.528 0.00 0.00 +0.123 C BRANCH 104 105 ATOM 105 CG ASN A 1 -1.130 -1.017 8.344 0.00 0.00 +0.212 C ATOM 106 OD1 ASN A 1 -1.279 -1.001 9.562 0.00 0.00 -0.276 OA ATOM 107 ND2 ASN A 1 -1.581 -2.084 7.610 0.00 0.00 -0.329 N ATOM 108 HD21 ASN A 1 -2.152 -2.754 8.118 0.00 0.00 +0.145 HD ATOM 109 HD22 ASN A 1 -1.799 -1.954 6.632 0.00 0.00 +0.145 HD ENDBRANCH 104 105 ENDBRANCH 100 104 ENDBRANCH 98 100 ENDBRANCH 95 96 BRANCH 95 110 ATOM 110 CB PHE A 2 2.589 2.581 4.987 0.00 0.00 +0.067 C BRANCH 110 111 ATOM 111 CG PHE A 2 3.928 3.245 4.730 0.00 0.00 -0.045 A ATOM 112 CD2 PHE A 2 4.682 2.854 3.616 0.00 0.00 +0.004 A ATOM 113 CE2 PHE A 2 5.942 3.409 3.370 0.00 0.00 +0.000 A ATOM 114 CZ PHE A 2 6.469 4.357 4.239 0.00 0.00 +0.000 A ATOM 115 CE1 PHE A 2 5.746 4.732 5.368 0.00 0.00 +0.000 A ATOM 116 CD1 PHE A 2 4.490 4.172 5.620 0.00 0.00 +0.004 A ENDBRANCH 110 111 ENDBRANCH 95 110 ENDBRANCH 93 95 ENDBRANCH 90 91 BRANCH 90 117 ATOM 117 CB THR A 3 1.815 6.191 1.528 0.00 0.00 +0.141 C ATOM 118 CG2 THR A 3 1.786 7.661 1.119 0.00 0.00 +0.040 C BRANCH 117 119 ATOM 119 OG1 THR A 3 3.152 5.846 1.933 0.00 0.00 -0.390 OA ATOM 120 HG1 THR A 3 3.771 6.253 1.296 0.00 0.00 +0.210 HD ENDBRANCH 117 119 ENDBRANCH 90 117 ENDBRANCH 88 90 ENDBRANCH 85 86 BRANCH 85 121 ATOM 121 CB SER A 4 -2.728 6.837 0.190 0.00 0.00 +0.187 C BRANCH 121 122 ATOM 122 OG SER A 4 -3.975 7.289 0.734 0.00 0.00 -0.393 OA ATOM 123 H SER A 4 -3.821 7.430 1.693 0.00 0.00 +0.209 HD ENDBRANCH 121 122 ENDBRANCH 85 121 ENDBRANCH 83 85 ENDBRANCH 80 81 BRANCH 80 124 ATOM 124 CB ARG A 5 -2.455 4.935 -4.086 0.00 0.00 +0.033 C BRANCH 124 125 ATOM 125 CG ARG A 5 -1.084 5.577 -4.349 0.00 0.00 +0.023 C BRANCH 125 126 ATOM 126 CD ARG A 5 -0.111 4.689 -5.117 0.00 0.00 +0.115 C BRANCH 126 127 ATOM 127 NE ARG A 5 1.045 4.160 -4.418 0.00 0.00 -0.356 N ATOM 128 HE ARG A 5 1.480 3.451 -4.997 0.00 0.00 +0.162 HD BRANCH 127 129 ATOM 129 CZ ARG A 5 1.213 3.937 -3.098 0.00 0.00 +0.188 C ATOM 130 NH1 ARG A 5 0.684 4.553 -2.100 0.00 0.00 -0.269 NA ATOM 131 HH1 ARG A 5 1.068 4.079 -1.276 0.00 0.00 +0.190 HD BRANCH 129 132 ATOM 132 NH2 ARG A 5 2.112 2.958 -2.860 0.00 0.00 -0.370 N ATOM 133 HH21 ARG A 5 2.930 3.267 -2.344 0.00 0.00 +0.159 HD ATOM 134 HH22 ARG A 5 2.416 2.423 -3.671 0.00 0.00 +0.159 HD ENDBRANCH 129 132 ENDBRANCH 127 129 ENDBRANCH 126 127 ENDBRANCH 125 126 ENDBRANCH 124 125 ENDBRANCH 80 124 ENDBRANCH 78 80 ENDBRANCH 75 76 BRANCH 75 135 ATOM 135 CB LEU A 6 -3.183 -0.616 -1.284 0.00 0.00 +0.034 C BRANCH 135 137 ATOM 136 CD1 LEU A 6 -5.630 -0.010 -1.732 0.00 0.00 +0.007 C ATOM 137 CG LEU A 6 -4.525 -1.050 -1.912 0.00 0.00 -0.015 C ATOM 138 CD2 LEU A 6 -4.986 -2.376 -1.287 0.00 0.00 +0.007 C ENDBRANCH 135 137 ENDBRANCH 75 135 ENDBRANCH 71 75 ENDBRANCH 1 72 BRANCH 1 139 ATOM 139 CB ASN A 7 1.654 -1.552 -3.803 0.00 0.00 +0.127 C BRANCH 139 140 ATOM 140 CG ASN A 7 2.713 -0.593 -4.310 0.00 0.00 +0.213 C ATOM 141 OD1 ASN A 7 2.509 0.548 -4.709 0.00 0.00 -0.276 OA ATOM 142 ND2 ASN A 7 3.984 -1.088 -4.206 0.00 0.00 -0.329 N ATOM 143 HD21 ASN A 7 4.199 -1.899 -3.631 0.00 0.00 +0.145 HD ATOM 144 HD22 ASN A 7 4.745 -0.470 -4.462 0.00 0.00 +0.145 HD ENDBRANCH 139 140 ENDBRANCH 1 139 TORSDOF 60