REMARK Name = BDB063032 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C ILE A 4 -7.475 -1.329 1.809 0.00 0.00 +0.234 C ATOM 2 N LEU A 5 -8.448 -2.084 1.202 0.00 0.00 -0.302 N ATOM 3 H LEU A 5 -9.404 -2.056 1.550 0.00 0.00 +0.150 HD ATOM 4 O ILE A 4 -6.387 -1.109 1.278 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 CA ILE A 4 -7.866 -0.788 3.204 0.00 0.00 +0.162 C BRANCH 5 7 ATOM 6 C GLN A 3 -5.929 -0.981 4.788 0.00 0.00 +0.234 C ATOM 7 N ILE A 4 -6.726 -0.239 3.934 0.00 0.00 -0.302 N ATOM 8 H ILE A 4 -6.359 0.629 3.577 0.00 0.00 +0.150 HD ATOM 9 O GLN A 3 -6.008 -2.203 4.863 0.00 0.00 -0.274 OA BRANCH 6 10 ATOM 10 CA GLN A 3 -5.087 -0.115 5.790 0.00 0.00 +0.159 C BRANCH 10 12 ATOM 11 C THR A 2 -3.802 -0.801 7.785 0.00 0.00 +0.236 C ATOM 12 N GLN A 3 -3.954 -0.827 6.410 0.00 0.00 -0.302 N ATOM 13 H GLN A 3 -3.203 -1.153 5.808 0.00 0.00 +0.150 HD ATOM 14 O THR A 2 -4.751 -0.584 8.543 0.00 0.00 -0.274 OA BRANCH 11 15 ATOM 15 CA THR A 2 -2.367 -0.959 8.351 0.00 0.00 +0.187 C BRANCH 15 17 ATOM 16 C UNK A 1 -2.015 -3.258 9.173 0.00 0.00 +0.234 C ATOM 17 N THR A 2 -1.787 -2.307 8.185 0.00 0.00 -0.300 N ATOM 18 H THR A 2 -0.835 -2.280 7.825 0.00 0.00 +0.150 HD ATOM 19 O UNK A 1 -2.793 -3.079 10.107 0.00 0.00 -0.274 OA BRANCH 16 20 ATOM 20 C UNK A 1 -1.121 -4.528 9.105 0.00 0.00 +0.159 C BRANCH 20 22 ATOM 21 C UNK A 0 -1.715 -6.227 7.423 0.00 0.00 +0.237 C ATOM 22 N UNK A 1 -1.097 -5.025 7.722 0.00 0.00 -0.302 N ATOM 23 H UNK A 1 -1.126 -4.305 7.002 0.00 0.00 +0.150 HD ATOM 24 O UNK A 0 -1.694 -7.183 8.198 0.00 0.00 -0.273 OA BRANCH 21 35 ATOM 25 C UNK A 0 2.255 -4.459 4.615 0.00 0.00 +0.162 C ATOM 26 C UNK A 0 1.856 -5.061 5.988 0.00 0.00 +0.234 C ATOM 27 O UNK A 0 2.257 -4.522 7.030 0.00 0.00 -0.274 OA ATOM 28 N UNK A 0 1.105 -6.181 6.101 0.00 0.00 -0.302 N ATOM 29 H UNK A 0 0.892 -6.415 7.067 0.00 0.00 +0.150 HD ATOM 30 C UNK A 0 0.628 -7.091 5.079 0.00 0.00 +0.159 C ATOM 31 C UNK A 0 -0.546 -6.409 4.343 0.00 0.00 +0.234 C ATOM 32 O UNK A 0 -0.434 -6.260 3.115 0.00 0.00 -0.274 OA ATOM 33 N UNK A 0 -1.643 -5.848 4.928 0.00 0.00 -0.300 N ATOM 34 H UNK A 0 -2.212 -5.488 4.172 0.00 0.00 +0.150 HD ATOM 35 C UNK A 0 -2.499 -6.246 6.067 0.00 0.00 +0.108 C ATOM 36 C UNK A 0 -3.593 -5.153 6.288 0.00 0.00 +0.041 C ATOM 37 C UNK A 0 -3.197 -7.607 5.792 0.00 0.00 +0.035 C ATOM 38 C UNK A 0 -4.510 -7.633 4.978 0.00 0.00 +0.007 C ATOM 39 C UNK A 0 -4.548 -6.998 3.576 0.00 0.00 +0.027 C ATOM 40 C UNK A 0 -3.505 -7.488 2.623 0.00 0.00 -0.031 C ATOM 41 C UNK A 0 -2.989 -6.798 1.589 0.00 0.00 -0.031 C ATOM 42 C UNK A 0 -3.332 -5.404 1.132 0.00 0.00 +0.027 C ATOM 43 C UNK A 0 -2.097 -4.554 0.787 0.00 0.00 +0.007 C ATOM 44 C UNK A 0 -1.558 -3.677 1.929 0.00 0.00 +0.035 C ATOM 45 C UNK A 0 -1.887 -2.158 1.901 0.00 0.00 +0.108 C ATOM 46 C UNK A 0 -3.402 -1.945 1.995 0.00 0.00 +0.041 C ATOM 47 C UNK A 0 -1.259 -1.493 3.185 0.00 0.00 +0.237 C ATOM 48 O UNK A 0 -1.846 -1.471 4.269 0.00 0.00 -0.273 OA ATOM 49 N UNK A 0 0.021 -0.975 3.095 0.00 0.00 -0.302 N ATOM 50 H UNK A 0 0.113 -0.333 3.874 0.00 0.00 +0.150 HD ATOM 51 C UNK A 0 1.268 -1.791 3.076 0.00 0.00 +0.159 C ATOM 52 C UNK A 0 1.675 -1.971 4.557 0.00 0.00 +0.234 C ATOM 53 O UNK A 0 1.419 -1.090 5.386 0.00 0.00 -0.274 OA ATOM 54 N UNK A 0 2.450 -3.019 4.946 0.00 0.00 -0.302 N ATOM 55 H UNK A 0 2.675 -2.894 5.932 0.00 0.00 +0.150 HD BRANCH 45 56 ATOM 56 N UNK A 0 -1.268 -1.525 0.688 0.00 0.00 -0.300 N ATOM 57 H UNK A 0 -0.338 -1.226 0.984 0.00 0.00 +0.150 HD ATOM 58 C UNK A 0 -1.773 -0.420 0.046 0.00 0.00 +0.234 C ATOM 59 O UNK A 0 -1.213 0.667 0.211 0.00 0.00 -0.274 OA BRANCH 58 60 ATOM 60 C UNK A 0 -2.983 -0.539 -0.917 0.00 0.00 +0.159 C BRANCH 60 61 ATOM 61 N UNK A 0 -2.905 0.607 -1.851 0.00 0.00 -0.302 N ATOM 62 H UNK A 0 -1.960 0.923 -2.078 0.00 0.00 +0.150 HD ATOM 63 C UNK A 0 -3.912 0.787 -2.770 0.00 0.00 +0.234 C ATOM 64 O UNK A 0 -5.085 0.495 -2.519 0.00 0.00 -0.274 OA BRANCH 63 65 ATOM 65 C UNK A 1 -3.498 1.316 -4.169 0.00 0.00 +0.168 C BRANCH 65 66 ATOM 66 N UNK A 1 -3.399 2.758 -4.373 0.00 0.00 -0.302 N ATOM 67 H UNK A 1 -3.993 3.113 -5.131 0.00 0.00 +0.150 HD ATOM 68 C UNK A 1 -2.323 3.538 -4.034 0.00 0.00 +0.236 C ATOM 69 O UNK A 1 -1.481 3.189 -3.207 0.00 0.00 -0.274 OA BRANCH 68 70 ATOM 70 C UNK A 1 -2.114 4.786 -4.935 0.00 0.00 +0.184 C BRANCH 70 71 ATOM 71 N UNK A 1 -1.357 4.342 -6.117 0.00 0.00 -0.300 N ATOM 72 H UNK A 1 -1.145 3.350 -6.127 0.00 0.00 +0.150 HD ATOM 73 C UNK A 1 -0.236 4.989 -6.558 0.00 0.00 +0.236 C ATOM 74 O UNK A 1 0.782 4.333 -6.794 0.00 0.00 -0.274 OA BRANCH 73 75 ATOM 75 C UNK A 1 -0.260 6.514 -6.769 0.00 0.00 +0.184 C BRANCH 75 76 ATOM 76 N UNK A 1 1.141 6.948 -6.810 0.00 0.00 -0.301 N ATOM 77 H UNK A 1 1.802 6.176 -6.849 0.00 0.00 +0.150 HD ATOM 78 C UNK A 1 1.533 8.225 -7.095 0.00 0.00 +0.234 C ATOM 79 O UNK A 1 0.699 9.119 -7.263 0.00 0.00 -0.274 OA BRANCH 78 80 ATOM 80 C UNK A 1 3.058 8.469 -7.322 0.00 0.00 +0.163 C BRANCH 80 81 ATOM 81 N UNK A 1 3.343 9.906 -7.170 0.00 0.00 -0.304 N ATOM 82 H UNK A 1 3.204 10.474 -7.999 0.00 0.00 +0.149 HD ATOM 83 C UNK A 0 3.360 10.683 -6.047 0.00 0.00 +0.211 C ATOM 84 O UNK A 0 3.437 11.908 -6.169 0.00 0.00 -0.276 OA ATOM 85 C UNK A 0 3.276 10.031 -4.696 0.00 0.00 +0.109 C ENDBRANCH 80 81 BRANCH 80 86 ATOM 86 C UNK A 1 4.022 7.554 -6.548 0.00 0.00 +0.067 C BRANCH 86 87 ATOM 87 C UNK A 1 4.523 6.294 -7.238 0.00 0.00 -0.045 A ATOM 88 C UNK A 1 5.685 5.688 -6.732 0.00 0.00 +0.004 A ATOM 89 C UNK A 1 6.209 4.530 -7.310 0.00 0.00 +0.000 A ATOM 90 C UNK A 1 5.557 3.932 -8.385 0.00 0.00 +0.000 A ATOM 91 C UNK A 1 4.389 4.505 -8.883 0.00 0.00 +0.000 A ATOM 92 C UNK A 1 3.876 5.675 -8.320 0.00 0.00 +0.004 A ENDBRANCH 86 87 ENDBRANCH 80 86 ENDBRANCH 78 80 ENDBRANCH 75 76 BRANCH 75 93 ATOM 93 C UNK A 1 -1.049 6.825 -8.050 0.00 0.00 +0.187 C BRANCH 93 94 ATOM 94 O UNK A 1 -0.281 6.553 -9.228 0.00 0.00 -0.393 OA ATOM 95 H UNK A 1 0.095 7.410 -9.502 0.00 0.00 +0.209 HD ENDBRANCH 93 94 ENDBRANCH 75 93 ENDBRANCH 73 75 ENDBRANCH 70 71 BRANCH 70 96 ATOM 96 C UNK A 1 -3.413 5.538 -5.255 0.00 0.00 +0.187 C BRANCH 96 97 ATOM 97 O UNK A 1 -4.332 4.730 -5.988 0.00 0.00 -0.393 OA ATOM 98 H UNK A 1 -5.216 4.858 -5.572 0.00 0.00 +0.209 HD ENDBRANCH 96 97 ENDBRANCH 70 96 ENDBRANCH 68 70 ENDBRANCH 65 66 BRANCH 65 99 ATOM 99 C UNK A 1 -2.317 0.541 -4.746 0.00 0.00 +0.127 C BRANCH 99 100 ATOM 100 C UNK A 1 -2.082 0.703 -6.228 0.00 0.00 +0.213 C ATOM 101 O UNK A 1 -0.984 1.027 -6.681 0.00 0.00 -0.276 OA ATOM 102 N UNK A 1 -3.126 0.380 -7.051 0.00 0.00 -0.329 N ATOM 103 H UNK A 1 -4.032 0.812 -6.842 0.00 0.00 +0.145 HD ATOM 104 H UNK A 1 -2.889 0.484 -8.032 0.00 0.00 +0.145 HD ENDBRANCH 99 100 ENDBRANCH 65 99 ENDBRANCH 63 65 ENDBRANCH 60 61 BRANCH 60 105 ATOM 105 C UNK A 0 -2.992 -1.837 -1.748 0.00 0.00 +0.033 C BRANCH 105 106 ATOM 106 C UNK A 0 -4.306 -2.606 -1.650 0.00 0.00 +0.023 C BRANCH 106 107 ATOM 107 C UNK A 0 -4.529 -3.499 -2.866 0.00 0.00 +0.115 C BRANCH 107 108 ATOM 108 N UNK A 0 -5.265 -4.702 -2.484 0.00 0.00 -0.356 N ATOM 109 H UNK A 0 -5.778 -4.583 -1.619 0.00 0.00 +0.162 HD BRANCH 108 110 ATOM 110 C UNK A 0 -5.922 -5.430 -3.405 0.00 0.00 +0.188 C ATOM 111 N UNK A 0 -6.316 -5.041 -4.566 0.00 0.00 -0.269 NA ATOM 112 H UNK A 0 -6.604 -5.922 -5.028 0.00 0.00 +0.190 HD BRANCH 110 113 ATOM 113 N UNK A 0 -5.991 -6.727 -3.045 0.00 0.00 -0.370 N ATOM 114 H UNK A 0 -5.041 -7.040 -2.854 0.00 0.00 +0.159 HD ATOM 115 H UNK A 0 -6.423 -6.820 -2.127 0.00 0.00 +0.159 HD ENDBRANCH 110 113 ENDBRANCH 108 110 ENDBRANCH 107 108 ENDBRANCH 106 107 ENDBRANCH 105 106 ENDBRANCH 60 105 ENDBRANCH 58 60 ENDBRANCH 45 56 BRANCH 25 116 ATOM 116 C UNK A 0 3.585 -5.034 4.042 0.00 0.00 +0.015 C ATOM 117 C UNK A 0 4.292 -6.059 4.942 0.00 0.00 +0.010 C BRANCH 116 119 ATOM 118 C UNK A 0 4.676 -5.884 1.895 0.00 0.00 +0.004 C ATOM 119 C UNK A 0 3.366 -5.577 2.611 0.00 0.00 +0.002 C ENDBRANCH 116 119 ENDBRANCH 25 116 BRANCH 30 120 ATOM 120 C UNK A 0 0.415 -8.499 5.644 0.00 0.00 +0.034 C BRANCH 120 121 ATOM 121 C UNK A 0 0.738 -9.639 4.647 0.00 0.00 -0.015 C ATOM 122 C UNK A 0 0.734 -10.991 5.372 0.00 0.00 +0.007 C ATOM 123 C UNK A 0 -0.217 -9.693 3.456 0.00 0.00 +0.007 C ENDBRANCH 120 121 ENDBRANCH 30 120 BRANCH 51 124 ATOM 124 C UNK A 0 2.360 -0.988 2.330 0.00 0.00 +0.032 C BRANCH 124 125 ATOM 125 C UNK A 0 3.789 -1.545 2.423 0.00 0.00 +0.003 C BRANCH 125 126 ATOM 126 C UNK A 0 4.871 -0.657 1.781 0.00 0.00 +0.015 C BRANCH 126 127 ATOM 127 C UNK A 0 4.618 -0.344 0.310 0.00 0.00 +0.077 C BRANCH 127 128 ATOM 128 N UNK A 0 5.723 0.419 -0.280 0.00 0.00 -0.330 NA ATOM 129 H UNK A 0 5.388 0.809 -1.165 0.00 0.00 +0.118 HD ATOM 130 H UNK A 0 5.859 1.252 0.318 0.00 0.00 +0.118 HD ENDBRANCH 127 128 ENDBRANCH 126 127 ENDBRANCH 125 126 ENDBRANCH 124 125 ENDBRANCH 51 124 ENDBRANCH 21 35 ENDBRANCH 20 22 BRANCH 20 131 ATOM 131 C UNK A 1 0.273 -4.185 9.634 0.00 0.00 +0.033 C BRANCH 131 132 ATOM 132 C UNK A 1 1.096 -5.442 9.963 0.00 0.00 +0.023 C BRANCH 132 133 ATOM 133 C UNK A 1 2.482 -5.132 10.540 0.00 0.00 +0.115 C BRANCH 133 134 ATOM 134 N UNK A 1 3.299 -4.374 9.598 0.00 0.00 -0.356 N ATOM 135 H UNK A 1 2.897 -4.350 8.656 0.00 0.00 +0.162 HD BRANCH 134 136 ATOM 136 C UNK A 1 3.899 -3.215 9.967 0.00 0.00 +0.188 C ATOM 137 N UNK A 1 4.177 -2.906 11.181 0.00 0.00 -0.269 NA ATOM 138 H UNK A 1 4.566 -1.964 11.200 0.00 0.00 +0.190 HD BRANCH 136 139 ATOM 139 N UNK A 1 4.132 -2.416 8.918 0.00 0.00 -0.370 N ATOM 140 H UNK A 1 4.399 -2.920 8.080 0.00 0.00 +0.159 HD ATOM 141 H UNK A 1 4.735 -1.619 9.088 0.00 0.00 +0.159 HD ENDBRANCH 136 139 ENDBRANCH 134 136 ENDBRANCH 133 134 ENDBRANCH 132 133 ENDBRANCH 131 132 ENDBRANCH 20 131 ENDBRANCH 16 20 ENDBRANCH 15 17 BRANCH 15 142 ATOM 142 CB THR A 2 -1.433 0.113 7.755 0.00 0.00 +0.141 C ATOM 143 CG2 THR A 2 -1.826 1.535 8.151 0.00 0.00 +0.040 C BRANCH 142 144 ATOM 144 OG1 THR A 2 -0.086 -0.126 8.209 0.00 0.00 -0.390 OA ATOM 145 HG1 THR A 2 -0.066 0.021 9.175 0.00 0.00 +0.210 HD ENDBRANCH 142 144 ENDBRANCH 15 142 ENDBRANCH 11 15 ENDBRANCH 10 12 BRANCH 10 146 ATOM 146 CB GLN A 3 -4.565 1.211 5.204 0.00 0.00 +0.041 C BRANCH 146 147 ATOM 147 CG GLN A 3 -5.537 2.373 5.463 0.00 0.00 +0.098 C BRANCH 147 148 ATOM 148 CD GLN A 3 -5.006 3.676 4.924 0.00 0.00 +0.211 C ATOM 149 OE1 GLN A 3 -4.681 4.615 5.641 0.00 0.00 -0.276 OA ATOM 150 NE2 GLN A 3 -4.916 3.763 3.564 0.00 0.00 -0.329 N ATOM 151 HE21 GLN A 3 -4.536 4.617 3.179 0.00 0.00 +0.145 HD ATOM 152 HE22 GLN A 3 -5.277 3.068 2.933 0.00 0.00 +0.145 HD ENDBRANCH 147 148 ENDBRANCH 146 147 ENDBRANCH 10 146 ENDBRANCH 6 10 ENDBRANCH 5 7 BRANCH 5 153 ATOM 153 CB ILE A 4 -9.024 0.254 3.111 0.00 0.00 +0.015 C ATOM 154 CG2 ILE A 4 -9.534 0.584 4.519 0.00 0.00 +0.010 C BRANCH 153 155 ATOM 155 CG1 ILE A 4 -8.629 1.515 2.309 0.00 0.00 +0.002 C ATOM 156 CD1 ILE A 4 -9.636 2.651 2.370 0.00 0.00 +0.004 C ENDBRANCH 153 155 ENDBRANCH 5 153 ENDBRANCH 1 5 BRANCH 2 157 ATOM 157 CA LEU A 5 -8.256 -2.648 -0.121 0.00 0.00 +0.159 C BRANCH 157 158 ATOM 158 C LEU A 5 -8.917 -1.740 -1.182 0.00 0.00 +0.234 C ATOM 159 N ASN A 6 -8.063 -1.312 -2.183 0.00 0.00 -0.302 N ATOM 160 H ASN A 6 -7.102 -1.091 -1.951 0.00 0.00 +0.150 HD ATOM 161 O LEU A 5 -10.116 -1.490 -1.158 0.00 0.00 -0.274 OA BRANCH 159 162 ATOM 162 CA ASN A 6 -8.562 -0.932 -3.515 0.00 0.00 +0.168 C BRANCH 162 163 ATOM 163 C ASN A 6 -9.307 0.425 -3.469 0.00 0.00 +0.234 C ATOM 164 N GLN A 7 -8.567 1.560 -3.197 0.00 0.00 -0.302 N ATOM 165 H GLN A 7 -9.228 2.310 -3.009 0.00 0.00 +0.150 HD ATOM 166 O ASN A 6 -10.522 0.559 -3.621 0.00 0.00 -0.274 OA BRANCH 164 167 ATOM 167 CA GLN A 7 -7.486 2.015 -4.096 0.00 0.00 +0.159 C BRANCH 167 168 ATOM 168 C GLN A 7 -6.732 3.193 -3.418 0.00 0.00 +0.234 C ATOM 169 N GLU A 8 -6.545 3.063 -2.058 0.00 0.00 -0.302 N ATOM 170 H GLU A 8 -6.995 2.285 -1.579 0.00 0.00 +0.150 HD ATOM 171 O GLN A 7 -6.219 4.120 -4.049 0.00 0.00 -0.274 OA BRANCH 169 172 ATOM 172 CA GLU A 8 -5.984 4.152 -1.259 0.00 0.00 +0.159 C BRANCH 172 173 ATOM 173 C GLU A 8 -5.365 3.589 0.052 0.00 0.00 +0.234 C ATOM 174 N TRP A 9 -4.094 3.931 0.404 0.00 0.00 -0.302 N ATOM 175 H TRP A 9 -3.788 3.535 1.298 0.00 0.00 +0.150 HD ATOM 176 O GLU A 8 -6.019 2.868 0.814 0.00 0.00 -0.274 OA BRANCH 174 177 ATOM 177 CA TRP A 9 -2.956 4.288 -0.458 0.00 0.00 +0.163 C BRANCH 177 178 ATOM 178 C TRP A 9 -1.656 3.777 0.230 0.00 0.00 +0.234 C ATOM 179 N LYS A 10 -0.524 3.875 -0.557 0.00 0.00 -0.302 N ATOM 180 H LYS A 10 -0.679 3.732 -1.550 0.00 0.00 +0.150 HD ATOM 181 O TRP A 9 -1.682 3.443 1.416 0.00 0.00 -0.274 OA BRANCH 179 182 ATOM 182 CA LYS A 10 0.853 3.666 -0.085 0.00 0.00 +0.159 C BRANCH 182 183 ATOM 183 C LYS A 10 1.390 2.308 -0.590 0.00 0.00 +0.234 C ATOM 184 N GLN A 11 1.611 2.258 -1.957 0.00 0.00 -0.302 N ATOM 185 H GLN A 11 1.729 3.142 -2.446 0.00 0.00 +0.150 HD ATOM 186 O LYS A 10 1.633 1.343 0.129 0.00 0.00 -0.274 OA BRANCH 184 187 ATOM 187 CA GLN A 11 2.247 1.090 -2.589 0.00 0.00 +0.159 C BRANCH 187 188 ATOM 188 C GLN A 11 3.219 1.638 -3.667 0.00 0.00 +0.234 C ATOM 189 N ARG A 12 3.734 0.907 -4.684 0.00 0.00 -0.302 N ATOM 190 H ARG A 12 4.442 1.437 -5.168 0.00 0.00 +0.150 HD ATOM 191 O GLN A 11 3.704 2.778 -3.522 0.00 0.00 -0.274 OA BRANCH 189 192 ATOM 192 CA ARG A 12 3.645 -0.521 -5.021 0.00 0.00 +0.159 C BRANCH 192 193 ATOM 193 C ARG A 12 5.070 -1.110 -5.182 0.00 0.00 +0.234 C ATOM 194 N ARG A 13 5.991 -0.326 -5.840 0.00 0.00 -0.302 N ATOM 195 H ARG A 13 5.656 0.497 -6.327 0.00 0.00 +0.150 HD ATOM 196 O ARG A 12 5.347 -2.255 -4.812 0.00 0.00 -0.274 OA BRANCH 194 197 ATOM 197 CA ARG A 13 7.316 -0.827 -6.255 0.00 0.00 +0.159 C BRANCH 197 198 ATOM 198 C ARG A 13 8.385 -0.800 -5.125 0.00 0.00 +0.234 C ATOM 199 N ILE A 14 7.931 -1.121 -3.862 0.00 0.00 -0.302 N ATOM 200 H ILE A 14 7.086 -1.687 -3.836 0.00 0.00 +0.150 HD ATOM 201 O ARG A 13 9.566 -0.586 -5.370 0.00 0.00 -0.274 OA BRANCH 199 202 ATOM 202 CA ILE A 14 8.840 -1.196 -2.704 0.00 0.00 +0.162 C BRANCH 202 203 ATOM 203 C ILE A 14 9.287 0.251 -2.353 0.00 0.00 +0.234 C ATOM 204 N GLN A 15 8.533 0.851 -1.364 0.00 0.00 -0.302 N ATOM 205 H GLN A 15 7.632 0.454 -1.106 0.00 0.00 +0.150 HD ATOM 206 O ILE A 14 10.171 0.862 -2.952 0.00 0.00 -0.274 OA BRANCH 204 207 ATOM 207 CA GLN A 15 8.807 2.230 -0.966 0.00 0.00 +0.160 C BRANCH 207 208 ATOM 208 C GLN A 15 8.325 2.461 0.495 0.00 0.00 +0.237 C ATOM 209 N PRO A 16 8.779 1.633 1.494 0.00 0.00 -0.288 N ATOM 210 CA PRO A 16 8.508 1.930 2.897 0.00 0.00 +0.162 C ATOM 211 CB PRO A 16 8.587 0.561 3.574 0.00 0.00 +0.033 C ATOM 212 CG PRO A 16 9.424 -0.319 2.636 0.00 0.00 +0.021 C ATOM 213 CD PRO A 16 9.743 0.546 1.419 0.00 0.00 +0.109 C ATOM 214 O GLN A 15 7.563 3.402 0.774 0.00 0.00 -0.274 OA BRANCH 210 215 ATOM 215 C PRO A 16 9.569 2.872 3.524 0.00 0.00 +0.234 C ATOM 216 N VAL A 17 9.298 3.468 4.728 0.00 0.00 -0.301 N ATOM 217 H VAL A 17 9.991 4.199 4.913 0.00 0.00 +0.150 HD ATOM 218 O PRO A 16 10.704 3.013 3.059 0.00 0.00 -0.274 OA BRANCH 216 219 ATOM 219 CA VAL A 17 7.990 3.653 5.346 0.00 0.00 +0.184 C BRANCH 219 220 ATOM 220 CB VAL A 17 8.049 3.744 6.886 0.00 0.00 +0.014 C ATOM 221 CG2 VAL A 17 9.038 2.749 7.494 0.00 0.00 +0.009 C ATOM 222 CG1 VAL A 17 6.653 3.495 7.468 0.00 0.00 +0.009 C ENDBRANCH 219 220 BRANCH 219 223 ATOM 223 C VAL A 17 7.437 4.958 4.777 0.00 0.00 +0.326 C ATOM 224 O VAL A 17 8.061 5.989 4.594 0.00 0.00 -0.249 OA BRANCH 223 225 ATOM 225 OXT VAL A 17 6.123 4.883 4.494 0.00 0.00 -0.479 OA ATOM 226 HXT VAL A 17 5.921 5.758 4.104 0.00 0.00 +0.295 HD ENDBRANCH 223 225 ENDBRANCH 219 223 ENDBRANCH 216 219 ENDBRANCH 210 215 ENDBRANCH 207 208 BRANCH 207 227 ATOM 227 CB GLN A 15 8.123 3.176 -1.975 0.00 0.00 +0.041 C BRANCH 227 228 ATOM 228 CG GLN A 15 8.700 4.596 -1.963 0.00 0.00 +0.098 C BRANCH 228 229 ATOM 229 CD GLN A 15 10.130 4.675 -2.443 0.00 0.00 +0.211 C ATOM 230 OE1 GLN A 15 11.040 5.085 -1.739 0.00 0.00 -0.276 OA ATOM 231 NE2 GLN A 15 10.358 4.263 -3.726 0.00 0.00 -0.329 N ATOM 232 HE21 GLN A 15 11.343 4.231 -3.968 0.00 0.00 +0.145 HD ATOM 233 HE22 GLN A 15 9.798 3.534 -4.144 0.00 0.00 +0.145 HD ENDBRANCH 228 229 ENDBRANCH 227 228 ENDBRANCH 207 227 ENDBRANCH 204 207 ENDBRANCH 202 203 BRANCH 202 234 ATOM 234 CB ILE A 14 9.969 -2.252 -2.846 0.00 0.00 +0.015 C ATOM 235 CG2 ILE A 14 11.130 -1.991 -1.873 0.00 0.00 +0.010 C BRANCH 234 236 ATOM 236 CG1 ILE A 14 9.365 -3.649 -2.586 0.00 0.00 +0.002 C ATOM 237 CD1 ILE A 14 10.221 -4.786 -3.119 0.00 0.00 +0.004 C ENDBRANCH 234 236 ENDBRANCH 202 234 ENDBRANCH 199 202 ENDBRANCH 197 198 BRANCH 197 238 ATOM 238 CB ARG A 13 7.878 0.014 -7.422 0.00 0.00 +0.033 C BRANCH 238 239 ATOM 239 CG ARG A 13 7.025 0.041 -8.682 0.00 0.00 +0.023 C BRANCH 239 240 ATOM 240 CD ARG A 13 7.094 -1.247 -9.507 0.00 0.00 +0.115 C BRANCH 240 241 ATOM 241 NE ARG A 13 6.230 -1.117 -10.684 0.00 0.00 -0.356 N ATOM 242 HE ARG A 13 6.491 -0.299 -11.221 0.00 0.00 +0.162 HD BRANCH 241 243 ATOM 243 CZ ARG A 13 4.886 -1.127 -10.520 0.00 0.00 +0.188 C ATOM 244 NH1 ARG A 13 4.284 -1.723 -9.556 0.00 0.00 -0.269 NA ATOM 245 HH1 ARG A 13 3.275 -1.576 -9.644 0.00 0.00 +0.190 HD BRANCH 243 246 ATOM 246 NH2 ARG A 13 4.274 -0.378 -11.449 0.00 0.00 -0.370 N ATOM 247 HH21 ARG A 13 4.558 -0.591 -12.400 0.00 0.00 +0.159 HD ATOM 248 HH22 ARG A 13 3.270 -0.290 -11.362 0.00 0.00 +0.159 HD ENDBRANCH 243 246 ENDBRANCH 241 243 ENDBRANCH 240 241 ENDBRANCH 239 240 ENDBRANCH 238 239 ENDBRANCH 197 238 ENDBRANCH 194 197 ENDBRANCH 192 193 BRANCH 192 249 ATOM 249 CB ARG A 12 2.804 -0.729 -6.288 0.00 0.00 +0.033 C BRANCH 249 250 ATOM 250 CG ARG A 12 2.221 -2.146 -6.384 0.00 0.00 +0.023 C BRANCH 250 251 ATOM 251 CD ARG A 12 1.095 -2.247 -7.429 0.00 0.00 +0.115 C BRANCH 251 252 ATOM 252 NE ARG A 12 0.560 -3.602 -7.503 0.00 0.00 -0.356 N ATOM 253 HE ARG A 12 1.268 -4.234 -7.868 0.00 0.00 +0.162 HD BRANCH 252 254 ATOM 254 CZ ARG A 12 -0.071 -4.211 -6.481 0.00 0.00 +0.188 C ATOM 255 NH1 ARG A 12 0.288 -5.371 -6.061 0.00 0.00 -0.269 NA ATOM 256 HH1 ARG A 12 -0.380 -5.600 -5.318 0.00 0.00 +0.190 HD BRANCH 254 257 ATOM 257 NH2 ARG A 12 -1.094 -3.556 -5.905 0.00 0.00 -0.370 N ATOM 258 HH21 ARG A 12 -1.498 -2.915 -6.585 0.00 0.00 +0.159 HD ATOM 259 HH22 ARG A 12 -0.753 -2.918 -5.182 0.00 0.00 +0.159 HD ENDBRANCH 254 257 ENDBRANCH 252 254 ENDBRANCH 251 252 ENDBRANCH 250 251 ENDBRANCH 249 250 ENDBRANCH 192 249 ENDBRANCH 189 192 ENDBRANCH 187 188 BRANCH 187 260 ATOM 260 CB GLN A 11 1.158 0.107 -3.008 0.00 0.00 +0.041 C BRANCH 260 261 ATOM 261 CG GLN A 11 1.299 -1.235 -2.273 0.00 0.00 +0.098 C BRANCH 261 262 ATOM 262 CD GLN A 11 0.528 -2.305 -3.015 0.00 0.00 +0.211 C ATOM 263 OE1 GLN A 11 -0.417 -2.052 -3.748 0.00 0.00 -0.276 OA ATOM 264 NE2 GLN A 11 0.960 -3.578 -2.821 0.00 0.00 -0.329 N ATOM 265 HE21 GLN A 11 0.597 -4.263 -3.473 0.00 0.00 +0.145 HD ATOM 266 HE22 GLN A 11 1.909 -3.765 -2.518 0.00 0.00 +0.145 HD ENDBRANCH 261 262 ENDBRANCH 260 261 ENDBRANCH 187 260 ENDBRANCH 184 187 ENDBRANCH 182 183 BRANCH 182 267 ATOM 267 CB LYS A 10 1.094 3.878 1.417 0.00 0.00 +0.032 C BRANCH 267 268 ATOM 268 CG LYS A 10 2.570 4.166 1.699 0.00 0.00 +0.003 C BRANCH 268 269 ATOM 269 CD LYS A 10 2.840 4.573 3.152 0.00 0.00 +0.015 C BRANCH 269 270 ATOM 270 CE LYS A 10 2.722 3.411 4.141 0.00 0.00 +0.077 C BRANCH 270 271 ATOM 271 NZ LYS A 10 3.405 3.767 5.381 0.00 0.00 -0.330 NA ATOM 272 HZ1 LYS A 10 3.363 2.975 6.022 0.00 0.00 +0.118 HD ATOM 273 HZ2 LYS A 10 4.392 3.926 5.170 0.00 0.00 +0.118 HD ENDBRANCH 270 271 ENDBRANCH 269 270 ENDBRANCH 268 269 ENDBRANCH 267 268 ENDBRANCH 182 267 ENDBRANCH 179 182 ENDBRANCH 177 178 BRANCH 177 274 ATOM 274 CB TRP A 9 -2.852 5.794 -0.758 0.00 0.00 +0.069 C BRANCH 274 275 ATOM 275 CG TRP A 9 -2.424 6.637 0.399 0.00 0.00 -0.020 A ATOM 276 CD2 TRP A 9 -1.153 7.287 0.564 0.00 0.00 +0.003 A ATOM 277 CE2 TRP A 9 -1.144 7.869 1.831 0.00 0.00 +0.047 A ATOM 278 CZ2 TRP A 9 -0.038 8.572 2.326 0.00 0.00 +0.026 A ATOM 279 CH2 TRP A 9 1.083 8.681 1.506 0.00 0.00 +0.002 A ATOM 280 CZ3 TRP A 9 1.106 8.121 0.233 0.00 0.00 +0.001 A ATOM 281 NE1 TRP A 9 -2.358 7.607 2.408 0.00 0.00 -0.360 N ATOM 282 HE1 TRP A 9 -2.616 7.858 3.356 0.00 0.00 +0.165 HD ATOM 283 CE3 TRP A 9 -0.003 7.409 -0.239 0.00 0.00 +0.010 A ATOM 284 CD1 TRP A 9 -3.150 6.896 1.550 0.00 0.00 +0.087 A ENDBRANCH 274 275 ENDBRANCH 177 274 ENDBRANCH 174 177 ENDBRANCH 172 173 BRANCH 172 285 ATOM 285 CB GLU A 8 -7.115 5.138 -0.913 0.00 0.00 +0.043 C BRANCH 285 286 ATOM 286 CG GLU A 8 -6.630 6.567 -0.695 0.00 0.00 +0.123 C BRANCH 286 287 ATOM 287 CD GLU A 8 -7.773 7.481 -0.341 0.00 0.00 +0.305 C ATOM 288 OE1 GLU A 8 -8.824 7.170 0.188 0.00 0.00 -0.251 OA BRANCH 287 289 ATOM 289 OE2 GLU A 8 -7.501 8.768 -0.642 0.00 0.00 -0.481 OA ATOM 290 HE2 GLU A 8 -8.259 9.259 -0.268 0.00 0.00 +0.295 HD ENDBRANCH 287 289 ENDBRANCH 286 287 ENDBRANCH 285 286 ENDBRANCH 172 285 ENDBRANCH 169 172 ENDBRANCH 167 168 BRANCH 167 291 ATOM 291 CB GLN A 7 -8.049 2.449 -5.477 0.00 0.00 +0.041 C BRANCH 291 292 ATOM 292 CG GLN A 7 -7.812 1.416 -6.579 0.00 0.00 +0.098 C BRANCH 292 293 ATOM 293 CD GLN A 7 -6.517 1.682 -7.305 0.00 0.00 +0.211 C ATOM 294 OE1 GLN A 7 -5.446 1.859 -6.723 0.00 0.00 -0.276 OA ATOM 295 NE2 GLN A 7 -6.578 1.677 -8.663 0.00 0.00 -0.329 N ATOM 296 HE21 GLN A 7 -5.748 1.996 -9.145 0.00 0.00 +0.145 HD ATOM 297 HE22 GLN A 7 -7.445 1.935 -9.131 0.00 0.00 +0.145 HD ENDBRANCH 292 293 ENDBRANCH 291 292 ENDBRANCH 167 291 ENDBRANCH 164 167 ENDBRANCH 162 163 BRANCH 162 298 ATOM 298 CB ASN A 6 -9.433 -2.058 -4.107 0.00 0.00 +0.127 C BRANCH 298 299 ATOM 299 CG ASN A 6 -8.999 -2.345 -5.523 0.00 0.00 +0.213 C ATOM 300 OD1 ASN A 6 -9.132 -1.541 -6.447 0.00 0.00 -0.276 OA ATOM 301 ND2 ASN A 6 -8.430 -3.572 -5.734 0.00 0.00 -0.329 N ATOM 302 HD21 ASN A 6 -7.801 -3.986 -5.035 0.00 0.00 +0.145 HD ATOM 303 HD22 ASN A 6 -8.088 -3.704 -6.680 0.00 0.00 +0.145 HD ENDBRANCH 298 299 ENDBRANCH 162 298 ENDBRANCH 159 162 ENDBRANCH 157 158 BRANCH 157 304 ATOM 304 CB LEU A 5 -8.928 -4.035 -0.238 0.00 0.00 +0.034 C BRANCH 304 305 ATOM 305 CG LEU A 5 -8.548 -5.060 0.846 0.00 0.00 -0.015 C ATOM 306 CD2 LEU A 5 -9.277 -6.380 0.587 0.00 0.00 +0.007 C ATOM 307 CD1 LEU A 5 -7.045 -5.308 0.911 0.00 0.00 +0.007 C ENDBRANCH 304 305 ENDBRANCH 157 304 ENDBRANCH 2 157 TORSDOF 121