REMARK Name = BDB058982 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA ARG A 14 -2.843 4.961 0.241 0.00 0.00 +0.159 C ATOM 2 C ARG A 14 -2.015 4.185 1.288 0.00 0.00 +0.234 C ATOM 3 O ARG A 14 -2.297 4.219 2.489 0.00 0.00 -0.274 OA ATOM 4 N CYS A 1 -0.907 3.474 0.930 0.00 0.00 -0.302 N ATOM 5 H CYS A 1 -0.450 3.094 1.752 0.00 0.00 +0.150 HD ATOM 6 CA CYS A 1 -0.488 2.843 -0.338 0.00 0.00 +0.169 C ATOM 7 C CYS A 1 -0.401 3.867 -1.479 0.00 0.00 +0.235 C ATOM 8 N GLN A 2 0.390 4.975 -1.349 0.00 0.00 -0.302 N ATOM 9 H GLN A 2 0.176 5.561 -2.147 0.00 0.00 +0.150 HD ATOM 10 CA GLN A 2 1.845 4.999 -1.060 0.00 0.00 +0.159 C ATOM 11 C GLN A 2 2.277 4.435 0.314 0.00 0.00 +0.234 C ATOM 12 N UNK A 3 3.415 3.676 0.423 0.00 0.00 -0.302 N ATOM 13 H UNK A 3 3.521 3.339 1.383 0.00 0.00 +0.150 HD ATOM 14 C UNK A 3 4.032 2.822 -0.596 0.00 0.00 +0.163 C ATOM 15 C UNK A 3 3.189 1.544 -0.739 0.00 0.00 +0.234 C ATOM 16 N SER A 4 3.268 0.482 0.103 0.00 0.00 -0.301 N ATOM 17 H SER A 4 2.539 -0.195 -0.110 0.00 0.00 +0.150 HD ATOM 18 CA SER A 4 3.856 0.320 1.450 0.00 0.00 +0.184 C ATOM 19 C SER A 4 3.959 -1.193 1.706 0.00 0.00 +0.236 C ATOM 20 N GLU A 5 4.982 -1.921 1.159 0.00 0.00 -0.302 N ATOM 21 H GLU A 5 4.933 -2.915 1.398 0.00 0.00 +0.150 HD ATOM 22 CA GLU A 5 6.079 -1.448 0.324 0.00 0.00 +0.160 C ATOM 23 C GLU A 5 5.928 -1.437 -1.222 0.00 0.00 +0.237 C ATOM 24 N PRO A 6 5.004 -2.192 -1.899 0.00 0.00 -0.288 N ATOM 25 CA PRO A 6 4.094 -3.248 -1.432 0.00 0.00 +0.162 C ATOM 26 C PRO A 6 4.817 -4.607 -1.280 0.00 0.00 +0.237 C ATOM 27 N PRO A 7 4.142 -5.640 -0.666 0.00 0.00 -0.288 N ATOM 28 CA PRO A 7 2.844 -5.599 0.019 0.00 0.00 +0.162 C ATOM 29 C PRO A 7 3.001 -4.908 1.396 0.00 0.00 +0.234 C ATOM 30 N GLU A 8 1.894 -4.627 2.145 0.00 0.00 -0.302 N ATOM 31 H GLU A 8 2.087 -4.058 2.969 0.00 0.00 +0.150 HD ATOM 32 CA GLU A 8 0.481 -4.899 1.865 0.00 0.00 +0.159 C ATOM 33 C GLU A 8 -0.355 -3.705 2.350 0.00 0.00 +0.234 C ATOM 34 N CYS A 9 -1.481 -3.299 1.690 0.00 0.00 -0.302 N ATOM 35 H CYS A 9 -1.880 -2.550 2.250 0.00 0.00 +0.150 HD ATOM 36 CA CYS A 9 -1.654 -3.002 0.249 0.00 0.00 +0.169 C ATOM 37 CB CYS A 9 -0.491 -2.233 -0.410 0.00 0.00 +0.112 C ATOM 38 SG CYS A 9 0.113 -0.769 0.505 0.00 0.00 -0.091 S ATOM 39 SG CYS A 1 -1.534 0.435 0.652 0.00 0.00 -0.091 S ATOM 40 C CYS A 9 -1.955 -4.223 -0.640 0.00 0.00 +0.235 C ATOM 41 O CYS A 9 -1.129 -5.131 -0.790 0.00 0.00 -0.274 OA ATOM 42 N PHE A 10 -3.115 -4.350 -1.337 0.00 0.00 -0.302 N ATOM 43 H PHE A 10 -3.130 -5.227 -1.848 0.00 0.00 +0.150 HD ATOM 44 CA PHE A 10 -4.426 -3.697 -1.195 0.00 0.00 +0.163 C ATOM 45 C PHE A 10 -4.457 -2.213 -1.641 0.00 0.00 +0.237 C ATOM 46 O PHE A 10 -3.458 -1.499 -1.668 0.00 0.00 -0.274 OA ATOM 47 N PRO A 11 -5.734 -1.755 -1.982 0.00 0.00 -0.288 N ATOM 48 CA PRO A 11 -6.007 -0.316 -1.864 0.00 0.00 +0.162 C ATOM 49 CB PRO A 11 -6.085 0.164 -3.312 0.00 0.00 +0.033 C ATOM 50 CG PRO A 11 -6.747 -1.009 -4.026 0.00 0.00 +0.021 C ATOM 51 C PRO A 11 -7.373 -0.105 -1.166 0.00 0.00 +0.234 C ATOM 52 O PRO A 11 -8.386 -0.751 -1.444 0.00 0.00 -0.274 OA ATOM 53 N ASP A 12 -7.471 0.879 -0.206 0.00 0.00 -0.302 N ATOM 54 H ASP A 12 -8.449 1.155 -0.164 0.00 0.00 +0.150 HD ATOM 55 CA ASP A 12 -7.047 0.569 1.173 0.00 0.00 +0.169 C ATOM 56 C ASP A 12 -5.524 0.443 1.312 0.00 0.00 +0.234 C ATOM 57 O ASP A 12 -4.978 -0.661 1.409 0.00 0.00 -0.274 OA ATOM 58 N GLY A 13 -4.752 1.567 1.308 0.00 0.00 -0.305 N ATOM 59 H GLY A 13 -3.757 1.369 1.353 0.00 0.00 +0.149 HD ATOM 60 CA GLY A 13 -5.130 2.942 0.993 0.00 0.00 +0.200 C ATOM 61 C GLY A 13 -4.678 3.281 -0.429 0.00 0.00 +0.231 C ATOM 62 O GLY A 13 -5.201 2.744 -1.409 0.00 0.00 -0.274 OA ATOM 63 CD PRO A 11 -6.249 -2.236 -3.265 0.00 0.00 +0.109 C ATOM 64 O GLU A 8 -0.109 -3.159 3.429 0.00 0.00 -0.274 OA ATOM 65 O PRO A 7 4.108 -4.545 1.806 0.00 0.00 -0.274 OA ATOM 66 CB PRO A 7 2.475 -7.077 0.106 0.00 0.00 +0.033 C ATOM 67 CG PRO A 7 3.821 -7.760 0.331 0.00 0.00 +0.021 C ATOM 68 CD PRO A 7 4.776 -6.942 -0.524 0.00 0.00 +0.109 C ATOM 69 O PRO A 6 5.959 -4.785 -1.719 0.00 0.00 -0.274 OA ATOM 70 CB PRO A 6 3.064 -3.340 -2.567 0.00 0.00 +0.033 C ATOM 71 CG PRO A 6 3.908 -3.088 -3.810 0.00 0.00 +0.021 C ATOM 72 CD PRO A 6 4.894 -2.031 -3.346 0.00 0.00 +0.109 C ATOM 73 O GLU A 5 6.699 -0.699 -1.858 0.00 0.00 -0.274 OA ATOM 74 O SER A 4 3.057 -1.787 2.314 0.00 0.00 -0.274 OA ATOM 75 O UNK A 3 2.310 1.517 -1.605 0.00 0.00 -0.274 OA ATOM 76 O GLN A 2 1.669 4.697 1.353 0.00 0.00 -0.274 OA ATOM 77 O CYS A 1 -1.127 3.803 -2.475 0.00 0.00 -0.274 OA ATOM 78 CB CYS A 1 -1.331 1.617 -0.738 0.00 0.00 +0.112 C ATOM 79 N ARG A 14 -3.588 4.072 -0.650 0.00 0.00 -0.303 N ATOM 80 H ARG A 14 -3.377 4.165 -1.641 0.00 0.00 +0.149 HD ENDROOT BRANCH 32 81 ATOM 81 CB GLU A 8 0.030 -6.144 2.646 0.00 0.00 +0.043 C BRANCH 81 82 ATOM 82 CG GLU A 8 -1.229 -6.782 2.062 0.00 0.00 +0.123 C BRANCH 82 83 ATOM 83 CD GLU A 8 -1.513 -8.132 2.680 0.00 0.00 +0.305 C ATOM 84 OE1 GLU A 8 -0.868 -8.647 3.579 0.00 0.00 -0.251 OA BRANCH 83 85 ATOM 85 OE2 GLU A 8 -2.582 -8.739 2.112 0.00 0.00 -0.481 OA ATOM 86 HE2 GLU A 8 -3.059 -8.164 1.485 0.00 0.00 +0.295 HD ENDBRANCH 83 85 ENDBRANCH 82 83 ENDBRANCH 81 82 ENDBRANCH 32 81 BRANCH 22 87 ATOM 87 CB GLU A 5 7.441 -1.998 0.783 0.00 0.00 +0.043 C BRANCH 87 88 ATOM 88 CG GLU A 5 7.657 -3.488 0.548 0.00 0.00 +0.123 C BRANCH 88 89 ATOM 89 CD GLU A 5 8.834 -4.023 1.316 0.00 0.00 +0.305 C ATOM 90 OE1 GLU A 5 9.754 -4.689 0.873 0.00 0.00 -0.251 OA BRANCH 89 91 ATOM 91 OE2 GLU A 5 8.768 -3.748 2.636 0.00 0.00 -0.481 OA ATOM 92 HE2 GLU A 5 9.547 -4.213 3.007 0.00 0.00 +0.295 HD ENDBRANCH 89 91 ENDBRANCH 88 89 ENDBRANCH 87 88 ENDBRANCH 22 87 BRANCH 55 93 ATOM 93 CB ASP A 12 -7.726 -0.691 1.744 0.00 0.00 +0.152 C BRANCH 93 94 ATOM 94 CG ASP A 12 -9.186 -0.442 2.013 0.00 0.00 +0.307 C ATOM 95 OD1 ASP A 12 -9.711 0.660 2.004 0.00 0.00 -0.251 OA BRANCH 94 96 ATOM 96 OD2 ASP A 12 -9.870 -1.569 2.307 0.00 0.00 -0.481 OA ATOM 97 HD2 ASP A 12 -9.355 -2.393 2.223 0.00 0.00 +0.295 HD ENDBRANCH 94 96 ENDBRANCH 93 94 ENDBRANCH 55 93 BRANCH 18 98 ATOM 98 CB SER A 4 2.981 0.960 2.544 0.00 0.00 +0.187 C BRANCH 98 99 ATOM 99 OG SER A 4 3.356 2.333 2.721 0.00 0.00 -0.393 OA ATOM 100 H SER A 4 2.715 2.709 3.360 0.00 0.00 +0.209 HD ENDBRANCH 98 99 ENDBRANCH 18 98 BRANCH 44 101 ATOM 101 CB PHE A 10 -5.059 -3.854 0.201 0.00 0.00 +0.067 C BRANCH 101 102 ATOM 102 CG PHE A 10 -5.252 -5.274 0.697 0.00 0.00 -0.045 A ATOM 103 CD2 PHE A 10 -5.742 -6.297 -0.128 0.00 0.00 +0.004 A ATOM 104 CE2 PHE A 10 -5.970 -7.579 0.381 0.00 0.00 +0.000 A ATOM 105 CZ PHE A 10 -5.739 -7.847 1.728 0.00 0.00 +0.000 A ATOM 106 CE1 PHE A 10 -5.265 -6.838 2.563 0.00 0.00 +0.000 A ATOM 107 CD1 PHE A 10 -5.023 -5.563 2.051 0.00 0.00 +0.004 A ENDBRANCH 101 102 ENDBRANCH 44 101 BRANCH 14 108 ATOM 108 C UNK A 3 5.524 2.565 -0.351 0.00 0.00 +0.067 C BRANCH 108 109 ATOM 109 C UNK A 3 6.388 3.667 -0.924 0.00 0.00 -0.045 A ATOM 110 C UNK A 3 6.759 3.629 -2.278 0.00 0.00 +0.006 A ATOM 111 C UNK A 3 7.504 4.668 -2.834 0.00 0.00 +0.033 A ATOM 112 C UNK A 3 7.886 5.744 -2.023 0.00 0.00 +0.126 A ATOM 113 C UNK A 3 7.548 5.779 -0.664 0.00 0.00 +0.033 A ATOM 114 C UNK A 3 6.793 4.740 -0.120 0.00 0.00 +0.006 A BRANCH 112 115 ATOM 115 N UNK A 3 8.597 6.875 -2.618 0.00 0.00 +0.056 N ATOM 116 O UNK A 3 8.542 7.958 -2.013 0.00 0.00 -0.126 OA ATOM 117 O UNK A 3 9.174 6.696 -3.698 0.00 0.00 -0.126 OA ENDBRANCH 112 115 ENDBRANCH 108 109 ENDBRANCH 14 108 BRANCH 1 118 ATOM 118 CB ARG A 14 -3.721 6.072 0.845 0.00 0.00 +0.033 C BRANCH 118 119 ATOM 119 CG ARG A 14 -2.874 7.232 1.396 0.00 0.00 +0.023 C BRANCH 119 120 ATOM 120 CD ARG A 14 -3.729 8.329 2.030 0.00 0.00 +0.115 C BRANCH 120 121 ATOM 121 NE ARG A 14 -4.427 9.081 1.001 0.00 0.00 -0.356 N ATOM 122 HE ARG A 14 -3.851 9.456 0.266 0.00 0.00 +0.162 HD BRANCH 121 125 ATOM 123 NH1 ARG A 14 -6.427 9.359 2.167 0.00 0.00 -0.269 NA ATOM 124 HH1 ARG A 14 -7.296 9.882 2.065 0.00 0.00 +0.190 HD ATOM 125 CZ ARG A 14 -5.635 9.651 1.200 0.00 0.00 +0.188 C BRANCH 125 126 ATOM 126 NH2 ARG A 14 -5.949 10.553 0.248 0.00 0.00 -0.370 N ATOM 127 HH21 ARG A 14 -5.169 11.107 -0.081 0.00 0.00 +0.159 HD ATOM 128 HH22 ARG A 14 -6.743 11.142 0.466 0.00 0.00 +0.159 HD ENDBRANCH 125 126 ENDBRANCH 121 125 ENDBRANCH 120 121 ENDBRANCH 119 120 ENDBRANCH 118 119 ENDBRANCH 1 118 BRANCH 10 129 ATOM 129 CB GLN A 2 2.261 6.486 -1.099 0.00 0.00 +0.041 C BRANCH 129 130 ATOM 130 CG GLN A 2 3.762 6.772 -1.051 0.00 0.00 +0.098 C BRANCH 130 131 ATOM 131 CD GLN A 2 4.009 8.270 -0.999 0.00 0.00 +0.211 C ATOM 132 OE1 GLN A 2 3.128 9.113 -0.870 0.00 0.00 -0.276 OA ATOM 133 NE2 GLN A 2 5.318 8.646 -1.066 0.00 0.00 -0.329 N ATOM 134 HE21 GLN A 2 5.492 9.645 -1.103 0.00 0.00 +0.145 HD ATOM 135 HE22 GLN A 2 6.040 8.055 -1.458 0.00 0.00 +0.145 HD ENDBRANCH 130 131 ENDBRANCH 129 130 ENDBRANCH 10 129 TORSDOF 27