From e64c94e7ef7197e4070ff0634e4e435cf51d890b Mon Sep 17 00:00:00 2001 From: Stefan Doerr Date: Thu, 31 Aug 2023 13:58:50 +0300 Subject: [PATCH] updated test file --- .../test-data/molecule-writers/mol.cif | 561 +++++++++--------- 1 file changed, 281 insertions(+), 280 deletions(-) diff --git a/moleculekit/test-data/molecule-writers/mol.cif b/moleculekit/test-data/molecule-writers/mol.cif index b6da178e..16028f00 100644 --- a/moleculekit/test-data/molecule-writers/mol.cif +++ b/moleculekit/test-data/molecule-writers/mol.cif @@ -19,284 +19,285 @@ _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num -ATOM 1 N . X . -1.134 8.224 -5.098 1.0 1.0 0 1 ILE X N 1 -ATOM 2 H . X . -1.136 9.229 -5.195 0.0 0.0 0 1 ILE X H1 1 -ATOM 3 H . X . -0.495 7.971 -4.357 0.0 0.0 0 1 ILE X H2 1 -ATOM 4 H . X . -2.089 7.898 -5.074 0.0 0.0 0 1 ILE X H3 1 -ATOM 5 C . X . -0.549 7.639 -6.340 1.0 1.0 0 1 ILE X CA 1 -ATOM 6 H . X . 0.368 7.076 -6.163 0.0 0.0 0 1 ILE X HA 1 -ATOM 7 C . X . -1.622 6.698 -7.016 0.0 0.0 0 1 ILE X CB 1 -ATOM 8 H . X . -2.517 7.277 -7.243 0.0 0.0 0 1 ILE X HB 1 -ATOM 9 C . X . -1.047 6.102 -8.325 0.0 0.0 0 1 ILE X CG2 1 -ATOM 10 H . X . -0.151 5.523 -8.099 0.0 0.0 0 1 ILE X HG21 1 -ATOM 11 H . X . -1.791 5.454 -8.787 0.0 0.0 0 1 ILE X HG22 1 -ATOM 12 H . X . -0.792 6.909 -9.011 0.0 0.0 0 1 ILE X HG23 1 -ATOM 13 C . X . -2.124 5.578 -6.072 0.0 0.0 0 1 ILE X CG1 1 -ATOM 14 H . X . -2.981 5.091 -6.536 0.0 0.0 0 1 ILE X HG12 1 -ATOM 15 H . X . -2.429 6.030 -5.128 0.0 0.0 0 1 ILE X HG13 1 -ATOM 16 C . X . -1.007 4.519 -5.804 0.0 0.0 0 1 ILE X CD1 1 -ATOM 17 H . X . -0.148 5.005 -5.340 0.0 0.0 0 1 ILE X HD11 1 -ATOM 18 H . X . -1.390 3.746 -5.138 0.0 0.0 0 1 ILE X HD12 1 -ATOM 19 H . X . -0.701 4.066 -6.747 0.0 0.0 0 1 ILE X HD13 1 -ATOM 20 C . X . -0.237 8.776 -7.325 1.0 1.0 0 1 ILE X C 1 -ATOM 21 O . X . -1.148 9.569 -7.678 1.0 1.0 0 1 ILE X O 1 -ATOM 22 N . X . 0.992 8.847 -7.770 1.0 1.0 0 2 VAL X N 1 -ATOM 23 H . X . 1.688 8.203 -7.422 0.0 0.0 0 2 VAL X H 1 -ATOM 24 C . X . 1.395 9.821 -8.829 1.0 1.0 0 2 VAL X CA 1 -ATOM 25 H . X . 0.710 10.664 -8.916 0.0 0.0 0 2 VAL X HA 1 -ATOM 26 C . X . 2.810 10.364 -8.492 0.0 0.0 0 2 VAL X CB 1 -ATOM 27 H . X . 3.535 9.553 -8.568 0.0 0.0 0 2 VAL X HB 1 -ATOM 28 C . X . 3.192 11.491 -9.481 0.0 0.0 0 2 VAL X CG1 1 -ATOM 29 H . X . 2.469 12.303 -9.405 0.0 0.0 0 2 VAL X HG11 1 -ATOM 30 H . X . 4.186 11.867 -9.238 0.0 0.0 0 2 VAL X HG12 1 -ATOM 31 H . X . 3.191 11.098 -10.498 0.0 0.0 0 2 VAL X HG13 1 -ATOM 32 C . X . 2.848 10.873 -7.003 0.0 0.0 0 2 VAL X CG2 1 -ATOM 33 H . X . 2.610 10.049 -6.330 0.0 0.0 0 2 VAL X HG21 1 -ATOM 34 H . X . 3.844 11.252 -6.773 0.0 0.0 0 2 VAL X HG22 1 -ATOM 35 H . X . 2.117 11.671 -6.872 0.0 0.0 0 2 VAL X HG23 1 -ATOM 36 C . X . 1.490 9.129 -10.197 1.0 1.0 0 2 VAL X C 1 -ATOM 37 O . X . 2.065 8.013 -10.305 1.0 1.0 0 2 VAL X O 1 -ATOM 38 N . X . 0.940 9.779 -11.177 1.0 1.0 0 3 GLY X N 1 -ATOM 39 H . X . 0.405 10.623 -11.029 0.0 0.0 0 3 GLY X H 1 -ATOM 40 C . X . 1.091 9.288 -12.536 1.0 1.0 0 3 GLY X CA 1 -ATOM 41 H . X . 0.809 10.087 -13.222 0.0 0.0 0 3 GLY X HA2 1 -ATOM 42 H . X . 2.139 9.029 -12.692 0.0 0.0 0 3 GLY X HA3 1 -ATOM 43 C . X . 0.222 8.052 -12.822 1.0 1.0 0 3 GLY X C 1 -ATOM 44 O . X . 0.649 7.231 -13.680 1.0 1.0 0 3 GLY X O 1 -ATOM 45 N . X . -0.901 7.843 -12.052 1.0 1.0 0 4 GLY X N 1 -ATOM 46 H . X . -1.180 8.524 -11.360 0.0 0.0 0 4 GLY X H 1 -ATOM 47 C . X . -1.725 6.628 -12.211 1.0 1.0 0 4 GLY X CA 1 -ATOM 48 H . X . -1.190 5.910 -12.834 0.0 0.0 0 4 GLY X HA2 1 -ATOM 49 H . X . -1.911 6.190 -11.231 0.0 0.0 0 4 GLY X HA3 1 -ATOM 50 C . X . -3.070 6.961 -12.874 1.0 1.0 0 4 GLY X C 1 -ATOM 51 O . X . -3.186 8.002 -13.574 1.0 1.0 0 4 GLY X O 1 -ATOM 52 N . X . -4.088 6.160 -12.635 1.0 1.0 0 5 TYR X N 1 -ATOM 53 H . X . -3.972 5.342 -12.053 0.0 0.0 0 5 TYR X H 1 -ATOM 54 C . X . -5.395 6.393 -13.254 1.0 1.0 0 5 TYR X CA 1 -ATOM 55 H . X . -5.497 7.440 -13.537 0.0 0.0 0 5 TYR X HA 1 -ATOM 56 C . X . -5.529 5.509 -14.544 0.0 0.0 0 5 TYR X CB 1 -ATOM 57 H . X . -6.501 5.727 -14.986 0.0 0.0 0 5 TYR X HB2 1 -ATOM 58 H . X . -4.741 5.809 -15.235 0.0 0.0 0 5 TYR X HB3 1 -ATOM 59 C . X . -5.418 3.991 -14.264 0.0 0.0 0 5 TYR X CG 1 -ATOM 60 C . X . -6.527 3.160 -14.150 0.0 0.0 0 5 TYR X CD1 1 -ATOM 61 H . X . -7.529 3.571 -14.267 0.0 0.0 0 5 TYR X HD1 1 -ATOM 62 C . X . -6.356 1.794 -13.884 0.0 0.0 0 5 TYR X CE1 1 -ATOM 63 H . X . -7.214 1.126 -13.815 0.0 0.0 0 5 TYR X HE1 1 -ATOM 64 C . X . -5.058 1.281 -13.757 0.0 0.0 0 5 TYR X CZ 1 -ATOM 65 O . X . -4.784 -0.095 -13.465 0.0 0.0 0 5 TYR X OH 1 -ATOM 66 H . X . -5.579 -0.623 -13.366 0.0 0.0 0 5 TYR X HH 1 -ATOM 67 C . X . -3.967 2.116 -13.864 0.0 0.0 0 5 TYR X CE2 1 -ATOM 68 H . X . -2.957 1.722 -13.749 0.0 0.0 0 5 TYR X HE2 1 -ATOM 69 C . X . -4.160 3.466 -14.120 0.0 0.0 0 5 TYR X CD2 1 -ATOM 70 H . X . -3.301 4.132 -14.210 0.0 0.0 0 5 TYR X HD2 1 -ATOM 71 C . X . -6.457 6.084 -12.224 1.0 1.0 0 5 TYR X C 1 -ATOM 72 O . X . -6.140 5.520 -11.155 1.0 1.0 0 5 TYR X O 1 -ATOM 73 N . X . -7.620 6.566 -12.466 1.0 1.0 0 6 THR X N 1 -ATOM 74 H . X . -7.775 7.045 -13.341 0.0 0.0 0 6 THR X H 1 -ATOM 75 C . X . -8.770 6.348 -11.578 1.0 1.0 0 6 THR X CA 1 -ATOM 76 H . X . -8.550 6.577 -10.535 0.0 0.0 0 6 THR X HA 1 -ATOM 77 C . X . -9.931 7.257 -12.050 0.0 0.0 0 6 THR X CB 1 -ATOM 78 H . X . -10.138 7.039 -13.098 0.0 0.0 0 6 THR X HB 1 -ATOM 79 C . X . -11.208 7.019 -11.212 0.0 0.0 0 6 THR X CG2 1 -ATOM 80 H . X . -11.001 7.237 -10.164 0.0 0.0 0 6 THR X HG21 1 -ATOM 81 H . X . -12.004 7.672 -11.569 0.0 0.0 0 6 THR X HG22 1 -ATOM 82 H . X . -11.519 5.979 -11.311 0.0 0.0 0 6 THR X HG23 1 -ATOM 83 O . X . -9.505 8.580 -11.960 0.0 0.0 0 6 THR X OG1 1 -ATOM 84 H . X . -10.210 9.164 -12.248 0.0 0.0 0 6 THR X HG1 1 -ATOM 85 C . X . -9.286 4.927 -11.741 1.0 1.0 0 6 THR X C 1 -ATOM 86 O . X . -9.549 4.466 -12.888 1.0 1.0 0 6 THR X O 1 -ATOM 87 N . X . -9.174 4.191 -10.691 1.0 1.0 0 7 CYX X N 1 -ATOM 88 H . X . -9.037 4.580 -9.769 0.0 0.0 0 7 CYX X H 1 -ATOM 89 C . X . -9.405 2.755 -10.808 1.0 1.0 0 7 CYX X CA 1 -ATOM 90 H . X . -8.611 2.269 -11.377 0.0 0.0 0 7 CYX X HA 1 -ATOM 91 C . X . -9.412 2.182 -9.394 0.0 0.0 0 7 CYX X CB 1 -ATOM 92 H . X . -10.121 2.737 -8.780 0.0 0.0 0 7 CYX X HB2 1 -ATOM 93 H . X . -9.704 1.133 -9.428 0.0 0.0 0 7 CYX X HB3 1 -ATOM 94 S . X . -7.843 2.368 -8.509 0.0 0.0 0 7 CYX X SG 1 -ATOM 95 C . X . -10.808 2.468 -11.331 1.0 1.0 0 7 CYX X C 1 -ATOM 96 O . X . -10.983 1.452 -12.017 1.0 1.0 0 7 CYX X O 1 -ATOM 97 N . X . -11.812 3.206 -10.877 1.0 1.0 0 8 GLY X N 1 -ATOM 98 H . X . -11.600 4.029 -10.331 0.0 0.0 0 8 GLY X H 1 -ATOM 99 C . X . -13.218 2.883 -11.131 1.0 1.0 0 8 GLY X CA 1 -ATOM 100 H . X . -13.776 3.786 -11.378 0.0 0.0 0 8 GLY X HA2 1 -ATOM 101 H . X . -13.301 2.169 -11.950 0.0 0.0 0 8 GLY X HA3 1 -ATOM 102 C . X . -13.810 2.263 -9.870 1.0 1.0 0 8 GLY X C 1 -ATOM 103 O . X . -13.072 1.543 -9.149 1.0 1.0 0 8 GLY X O 1 -ATOM 104 N . X . -15.049 2.668 -9.532 1.0 1.0 0 9 ALA X N 1 -ATOM 105 H . X . -15.534 3.342 -10.107 0.0 0.0 0 9 ALA X H 1 -ATOM 106 C . X . -15.657 2.281 -8.238 1.0 1.0 0 9 ALA X CA 1 -ATOM 107 H . X . -14.973 2.673 -7.484 0.0 0.0 0 9 ALA X HA 1 -ATOM 108 C . X . -17.038 2.967 -8.060 0.0 0.0 0 9 ALA X CB 1 -ATOM 109 H . X . -17.735 2.578 -8.802 0.0 0.0 0 9 ALA X HB1 1 -ATOM 110 H . X . -17.420 2.761 -7.060 0.0 0.0 0 9 ALA X HB2 1 -ATOM 111 H . X . -16.929 4.043 -8.193 0.0 0.0 0 9 ALA X HB3 1 -ATOM 112 C . X . -15.714 0.755 -8.018 1.0 1.0 0 9 ALA X C 1 -ATOM 113 O . X . -16.201 -0.009 -8.894 1.0 1.0 0 9 ALA X O 1 -ATOM 114 N . X . -15.150 0.319 -6.877 1.0 1.0 0 10 ASN X N 1 -ATOM 115 H . X . -14.649 1.012 -6.339 0.0 0.0 0 10 ASN X H 1 -ATOM 116 C . X . -15.158 -1.049 -6.397 1.0 1.0 0 10 ASN X CA 1 -ATOM 117 H . X . -14.542 -1.120 -5.500 0.0 0.0 0 10 ASN X HA 1 -ATOM 118 C . X . -16.571 -1.514 -6.056 0.0 0.0 0 10 ASN X CB 1 -ATOM 119 H . X . -17.133 -1.558 -6.989 0.0 0.0 0 10 ASN X HB2 1 -ATOM 120 H . X . -16.582 -2.494 -5.579 0.0 0.0 0 10 ASN X HB3 1 -ATOM 121 C . X . -17.255 -0.500 -5.115 0.0 0.0 0 10 ASN X CG 1 -ATOM 122 O . X . -16.838 -0.303 -3.935 0.0 0.0 0 10 ASN X OD1 1 -ATOM 123 N . X . -18.314 0.075 -5.607 0.0 0.0 0 10 ASN X ND2 1 -ATOM 124 H . X . -18.820 0.752 -5.054 0.0 0.0 0 10 ASN X HD21 1 -ATOM 125 H . X . -18.624 -0.159 -6.539 0.0 0.0 0 10 ASN X HD22 1 -ATOM 126 C . X . -14.540 -1.974 -7.429 1.0 1.0 0 10 ASN X C 1 -ATOM 127 O . X . -14.683 -3.214 -7.293 1.0 1.0 0 10 ASN X O 1 -ATOM 128 N . X . -13.657 -1.411 -8.271 1.0 1.0 0 11 THR X N 1 -ATOM 129 H . X . -13.550 -0.422 -8.445 0.0 0.0 0 11 THR X H 1 -ATOM 130 C . X . -12.834 -2.359 -9.065 1.0 1.0 0 11 THR X CA 1 -ATOM 131 H . X . -13.440 -3.214 -9.364 0.0 0.0 0 11 THR X HA 1 -ATOM 132 C . X . -12.283 -1.677 -10.336 0.0 0.0 0 11 THR X CB 1 -ATOM 133 H . X . -11.779 -2.439 -10.931 0.0 0.0 0 11 THR X HB 1 -ATOM 134 C . X . -13.374 -1.014 -11.176 0.0 0.0 0 11 THR X CG2 1 -ATOM 135 H . X . -13.877 -0.251 -10.582 0.0 0.0 0 11 THR X HG21 1 -ATOM 136 H . X . -12.925 -0.552 -12.055 0.0 0.0 0 11 THR X HG22 1 -ATOM 137 H . X . -14.098 -1.766 -11.490 0.0 0.0 0 11 THR X HG23 1 -ATOM 138 O . X . -11.343 -0.670 -9.974 0.0 0.0 0 11 THR X OG1 1 -ATOM 139 H . X . -11.003 -0.249 -10.767 0.0 0.0 0 11 THR X HG1 1 -ATOM 140 C . X . -11.660 -2.997 -8.303 1.0 1.0 0 11 THR X C 1 -ATOM 141 O . X . -10.998 -3.922 -8.838 1.0 1.0 0 11 THR X O 1 -ATOM 142 N . X . -11.370 -2.558 -7.081 1.0 1.0 0 12 VAL X N 1 -ATOM 143 H . X . -11.900 -1.789 -6.696 0.0 0.0 0 12 VAL X H 1 -ATOM 144 C . X . -10.280 -3.139 -6.262 1.0 1.0 0 12 VAL X CA 1 -ATOM 145 H . X . -9.856 -4.065 -6.652 0.0 0.0 0 12 VAL X HA 1 -ATOM 146 C . X . -9.126 -2.122 -6.033 0.0 0.0 0 12 VAL X CB 1 -ATOM 147 H . X . -9.494 -1.305 -5.412 0.0 0.0 0 12 VAL X HB 1 -ATOM 148 C . X . -7.926 -2.804 -5.330 0.0 0.0 0 12 VAL X CG1 1 -ATOM 149 H . X . -7.557 -3.621 -5.950 0.0 0.0 0 12 VAL X HG11 1 -ATOM 150 H . X . -7.130 -2.075 -5.179 0.0 0.0 0 12 VAL X HG12 1 -ATOM 151 H . X . -8.245 -3.197 -4.365 0.0 0.0 0 12 VAL X HG13 1 -ATOM 152 C . X . -8.685 -1.355 -7.309 0.0 0.0 0 12 VAL X CG2 1 -ATOM 153 H . X . -9.530 -0.793 -7.706 0.0 0.0 0 12 VAL X HG21 1 -ATOM 154 H . X . -7.876 -0.668 -7.059 0.0 0.0 0 12 VAL X HG22 1 -ATOM 155 H . X . -8.338 -2.066 -8.059 0.0 0.0 0 12 VAL X HG23 1 -ATOM 156 C . X . -10.810 -3.593 -4.881 1.0 1.0 0 12 VAL X C 1 -ATOM 157 O . X . -10.840 -2.781 -3.943 1.0 1.0 0 12 VAL X O 1 -ATOM 158 N . X . -11.596 -4.643 -4.865 1.0 1.0 0 13 PRO X N 1 -ATOM 159 C . X . -11.579 -5.770 -5.836 0.0 0.0 0 13 PRO X CD 1 -ATOM 160 H . X . -10.591 -6.230 -5.803 0.0 0.0 0 13 PRO X HD2 1 -ATOM 161 H . X . -11.756 -5.362 -6.831 0.0 0.0 0 13 PRO X HD3 1 -ATOM 162 C . X . -12.709 -6.744 -5.383 0.0 0.0 0 13 PRO X CG 1 -ATOM 163 H . X . -12.249 -7.696 -5.119 0.0 0.0 0 13 PRO X HG2 1 -ATOM 164 H . X . -13.388 -6.889 -6.223 0.0 0.0 0 13 PRO X HG3 1 -ATOM 165 C . X . -13.444 -6.125 -4.185 0.0 0.0 0 13 PRO X CB 1 -ATOM 166 H . X . -13.428 -6.846 -3.368 0.0 0.0 0 13 PRO X HB2 1 -ATOM 167 H . X . -14.474 -5.843 -4.400 0.0 0.0 0 13 PRO X HB3 1 -ATOM 168 C . X . -12.616 -4.860 -3.793 1.0 1.0 0 13 PRO X CA 1 -ATOM 169 H . X . -13.220 -3.957 -3.706 0.0 0.0 0 13 PRO X HA 1 -ATOM 170 C . X . -11.961 -5.170 -2.436 1.0 1.0 0 13 PRO X C 1 -ATOM 171 O . X . -12.694 -5.197 -1.434 1.0 1.0 0 13 PRO X O 1 -ATOM 172 N . X . -10.656 -5.448 -2.407 1.0 1.0 0 14 TYR X N 1 -ATOM 173 H . X . -10.130 -5.448 -3.269 0.0 0.0 0 14 TYR X H 1 -ATOM 174 C . X . -9.946 -5.768 -1.157 1.0 1.0 0 14 TYR X CA 1 -ATOM 175 H . X . -10.653 -6.195 -0.446 0.0 0.0 0 14 TYR X HA 1 -ATOM 176 C . X . -8.799 -6.783 -1.384 0.0 0.0 0 14 TYR X CB 1 -ATOM 177 H . X . -8.155 -6.746 -0.505 0.0 0.0 0 14 TYR X HB2 1 -ATOM 178 H . X . -9.193 -7.792 -1.503 0.0 0.0 0 14 TYR X HB3 1 -ATOM 179 C . X . -7.979 -6.398 -2.639 0.0 0.0 0 14 TYR X CG 1 -ATOM 180 C . X . -6.940 -5.489 -2.541 0.0 0.0 0 14 TYR X CD1 1 -ATOM 181 H . X . -6.697 -5.072 -1.564 0.0 0.0 0 14 TYR X HD1 1 -ATOM 182 C . X . -6.202 -5.102 -3.674 0.0 0.0 0 14 TYR X CE1 1 -ATOM 183 H . X . -5.386 -4.383 -3.592 0.0 0.0 0 14 TYR X HE1 1 -ATOM 184 C . X . -6.519 -5.667 -4.922 0.0 0.0 0 14 TYR X CZ 1 -ATOM 185 O . X . -5.774 -5.317 -6.088 0.0 0.0 0 14 TYR X OH 1 -ATOM 186 H . X . -5.074 -4.684 -5.910 0.0 0.0 0 14 TYR X HH 1 -ATOM 187 C . X . -7.593 -6.577 -5.023 0.0 0.0 0 14 TYR X CE2 1 -ATOM 188 H . X . -7.856 -7.001 -5.992 0.0 0.0 0 14 TYR X HE2 1 -ATOM 189 C . X . -8.322 -6.937 -3.877 0.0 0.0 0 14 TYR X CD2 1 -ATOM 190 H . X . -9.153 -7.637 -3.958 0.0 0.0 0 14 TYR X HD2 1 -ATOM 191 C . X . -9.353 -4.501 -0.562 1.0 1.0 0 14 TYR X C 1 -ATOM 192 O . X . -8.728 -4.605 0.545 1.0 1.0 0 14 TYR X O 1 -ATOM 193 N . X . -9.468 -3.379 -1.328 1.0 1.0 0 15 GLN X N 1 -ATOM 194 H . X . -9.894 -3.376 -2.243 0.0 0.0 0 15 GLN X H 1 -ATOM 195 C . X . -8.836 -2.113 -0.835 1.0 1.0 0 15 GLN X CA 1 -ATOM 196 H . X . -7.821 -2.341 -0.508 0.0 0.0 0 15 GLN X HA 1 -ATOM 197 C . X . -8.771 -0.990 -1.918 0.0 0.0 0 15 GLN X CB 1 -ATOM 198 H . X . -8.090 -1.333 -2.697 0.0 0.0 0 15 GLN X HB2 1 -ATOM 199 H . X . -9.773 -0.883 -2.333 0.0 0.0 0 15 GLN X HB3 1 -ATOM 200 C . X . -8.280 0.402 -1.367 0.0 0.0 0 15 GLN X CG 1 -ATOM 201 H . X . -8.579 1.037 -2.201 0.0 0.0 0 15 GLN X HG2 1 -ATOM 202 H . X . -8.760 0.752 -0.453 0.0 0.0 0 15 GLN X HG3 1 -ATOM 203 C . X . -6.742 0.508 -1.191 0.0 0.0 0 15 GLN X CD 1 -ATOM 204 O . X . -6.210 1.094 -0.173 0.0 0.0 0 15 GLN X OE1 1 -ATOM 205 N . X . -6.037 0.159 -2.254 0.0 0.0 0 15 GLN X NE2 1 -ATOM 206 H . X . -5.028 0.199 -2.223 0.0 0.0 0 15 GLN X HE21 1 -ATOM 207 H . X . -6.510 -0.146 -3.092 0.0 0.0 0 15 GLN X HE22 1 -ATOM 208 C . X . -9.580 -1.639 0.419 1.0 1.0 0 15 GLN X C 1 -ATOM 209 O . X . -10.814 -1.403 0.311 1.0 1.0 0 15 GLN X O 1 -ATOM 210 N . X . -8.856 -1.293 1.490 1.0 1.0 0 16 VAL X N 1 -ATOM 211 H . X . -7.859 -1.452 1.537 0.0 0.0 0 16 VAL X H 1 -ATOM 212 C . X . -9.527 -0.669 2.664 1.0 1.0 0 16 VAL X CA 1 -ATOM 213 H . X . -10.496 -0.228 2.896 0.0 0.0 0 16 VAL X HA 1 -ATOM 214 C . X . -9.123 -1.634 3.832 0.0 0.0 0 16 VAL X CB 1 -ATOM 215 H . X . -8.225 -2.122 3.453 0.0 0.0 0 16 VAL X HB 1 -ATOM 216 C . X . -8.862 -1.115 5.233 0.0 0.0 0 16 VAL X CG1 1 -ATOM 217 H . X . -9.759 -0.627 5.613 0.0 0.0 0 16 VAL X HG11 1 -ATOM 218 H . X . -8.597 -1.947 5.886 0.0 0.0 0 16 VAL X HG12 1 -ATOM 219 H . X . -8.041 -0.398 5.208 0.0 0.0 0 16 VAL X HG13 1 -ATOM 220 C . X . -9.701 -3.065 3.684 0.0 0.0 0 16 VAL X CG2 1 -ATOM 221 H . X . -9.340 -3.509 2.756 0.0 0.0 0 16 VAL X HG21 1 -ATOM 222 H . X . -9.380 -3.676 4.528 0.0 0.0 0 16 VAL X HG22 1 -ATOM 223 H . X . -10.789 -3.017 3.664 0.0 0.0 0 16 VAL X HG23 1 -ATOM 224 C . X . -9.002 0.764 2.836 1.0 1.0 0 16 VAL X C 1 -ATOM 225 O . X . -7.803 1.023 2.510 1.0 1.0 0 16 VAL X O 1 -ATOM 226 N . X . -9.789 1.574 3.513 1.0 1.0 0 17 SER X N 1 -ATOM 227 H . X . -10.763 1.356 3.667 0.0 0.0 0 17 SER X H 1 -ATOM 228 C . X . -9.260 2.836 4.061 1.0 1.0 0 17 SER X CA 1 -ATOM 229 H . X . -8.239 2.994 3.711 0.0 0.0 0 17 SER X HA 1 -ATOM 230 C . X . -10.126 4.022 3.602 0.0 0.0 0 17 SER X CB 1 -ATOM 231 H . X . -9.903 4.199 2.550 0.0 0.0 0 17 SER X HB2 1 -ATOM 232 H . X . -11.168 3.723 3.707 0.0 0.0 0 17 SER X HB3 1 -ATOM 233 O . X . -9.894 5.240 4.357 0.0 0.0 0 17 SER X OG 1 -ATOM 234 H . X . -10.462 5.937 4.022 0.0 0.0 0 17 SER X HG 1 -ATOM 235 C . X . -9.289 2.703 5.594 1.0 1.0 0 17 SER X C 1 -ATOM 236 O . X . -10.323 2.266 6.157 1.0 1.0 0 17 SER X O 1 -ATOM 237 N . X . -8.191 3.097 6.219 1.0 1.0 0 18 LEU X N 1 -ATOM 238 H . X . -7.364 3.308 5.679 0.0 0.0 0 18 LEU X H 1 -ATOM 239 C . X . -8.122 3.232 7.677 1.0 1.0 0 18 LEU X CA 1 -ATOM 240 H . X . -8.830 2.549 8.146 0.0 0.0 0 18 LEU X HA 1 -ATOM 241 C . X . -6.693 2.891 8.184 0.0 0.0 0 18 LEU X CB 1 -ATOM 242 H . X . -6.043 3.631 7.717 0.0 0.0 0 18 LEU X HB2 1 -ATOM 243 H . X . -6.647 3.001 9.268 0.0 0.0 0 18 LEU X HB3 1 -ATOM 244 C . X . -6.223 1.469 7.789 0.0 0.0 0 18 LEU X CG 1 -ATOM 245 H . X . -6.061 1.433 6.712 0.0 0.0 0 18 LEU X HG 1 -ATOM 246 C . X . -4.909 1.119 8.518 0.0 0.0 0 18 LEU X CD1 1 -ATOM 247 H . X . -5.070 1.154 9.596 0.0 0.0 0 18 LEU X HD11 1 -ATOM 248 H . X . -4.589 0.117 8.232 0.0 0.0 0 18 LEU X HD12 1 -ATOM 249 H . X . -4.137 1.838 8.243 0.0 0.0 0 18 LEU X HD13 1 -ATOM 250 C . X . -7.315 0.420 8.095 0.0 0.0 0 18 LEU X CD2 1 -ATOM 251 H . X . -8.217 0.659 7.532 0.0 0.0 0 18 LEU X HD21 1 -ATOM 252 H . X . -6.959 -0.570 7.808 0.0 0.0 0 18 LEU X HD22 1 -ATOM 253 H . X . -7.540 0.430 9.162 0.0 0.0 0 18 LEU X HD23 1 -ATOM 254 C . X . -8.481 4.693 8.050 1.0 1.0 0 18 LEU X C 1 -ATOM 255 O . X . -7.854 5.652 7.527 1.0 1.0 0 18 LEU X O 1 -ATOM 256 N . X . -9.483 4.798 8.877 1.0 1.0 0 19 ASN X N 1 -ATOM 257 H . X . -9.922 3.946 9.194 0.0 0.0 0 19 ASN X H 1 -ATOM 258 C . X . -10.087 6.075 9.262 1.0 1.0 0 19 ASN X CA 1 -ATOM 259 H . X . -9.506 6.892 8.834 0.0 0.0 0 19 ASN X HA 1 -ATOM 260 C . X . -11.552 6.187 8.755 0.0 0.0 0 19 ASN X CB 1 -ATOM 261 H . X . -11.581 5.930 7.696 0.0 0.0 0 19 ASN X HB2 1 -ATOM 262 H . X . -12.150 5.471 9.319 0.0 0.0 0 19 ASN X HB3 1 -ATOM 263 C . X . -12.156 7.578 8.937 0.0 0.0 0 19 ASN X CG 1 -ATOM 264 O . X . -12.441 7.986 10.103 0.0 0.0 0 19 ASN X OD1 1 -ATOM 265 N . X . -12.330 8.294 7.834 0.0 0.0 0 19 ASN X ND2 1 -ATOM 266 H . X . -12.725 9.221 7.895 0.0 0.0 0 19 ASN X HD21 1 -ATOM 267 H . X . -12.065 7.909 6.939 0.0 0.0 0 19 ASN X HD22 1 -ATOM 268 C . X . -9.960 6.296 10.779 1.0 1.0 0 19 ASN X C 1 -ATOM 269 O . X . -10.349 5.425 11.618 1.0 1.0 0 19 ASN X O 1 -ATOM 270 N . X . -9.438 7.495 11.109 1.0 1.0 0 20 SER X N 1 -ATOM 271 H . X . -8.919 8.086 10.475 0.0 0.0 0 20 SER X H 1 -ATOM 272 C . X . -9.500 7.876 12.513 1.0 1.0 0 20 SER X CA 1 -ATOM 273 H . X . -10.170 7.198 13.041 0.0 0.0 0 20 SER X HA 1 -ATOM 274 C . X . -8.105 7.811 13.181 0.0 0.0 0 20 SER X CB 1 -ATOM 275 H . X . -8.192 8.103 14.228 0.0 0.0 0 20 SER X HB2 1 -ATOM 276 H . X . -7.722 6.792 13.119 0.0 0.0 0 20 SER X HB3 1 -ATOM 277 O . X . -7.195 8.709 12.505 0.0 0.0 0 20 SER X OG 1 -ATOM 278 H . X . -6.332 8.665 12.923 0.0 0.0 0 20 SER X HG 1 -ATOM 279 C . X . -10.181 9.231 12.671 1.0 1.0 0 20 SER X C 1 -ATOM 280 O . X . -9.534 10.142 13.241 1.0 1.0 0 20 SER X O 1 +_atom_site.label_comp_id +ATOM 1 N . X . -1.134 8.224 -5.098 1.0 1.0 0 1 ILE X N 1 ILE +ATOM 2 H . X . -1.136 9.229 -5.195 0.0 0.0 0 1 ILE X H1 1 ILE +ATOM 3 H . X . -0.495 7.971 -4.357 0.0 0.0 0 1 ILE X H2 1 ILE +ATOM 4 H . X . -2.089 7.898 -5.074 0.0 0.0 0 1 ILE X H3 1 ILE +ATOM 5 C . X . -0.549 7.639 -6.340 1.0 1.0 0 1 ILE X CA 1 ILE +ATOM 6 H . X . 0.368 7.076 -6.163 0.0 0.0 0 1 ILE X HA 1 ILE +ATOM 7 C . X . -1.622 6.698 -7.016 0.0 0.0 0 1 ILE X CB 1 ILE +ATOM 8 H . X . -2.517 7.277 -7.243 0.0 0.0 0 1 ILE X HB 1 ILE +ATOM 9 C . X . -1.047 6.102 -8.325 0.0 0.0 0 1 ILE X CG2 1 ILE +ATOM 10 H . X . -0.151 5.523 -8.099 0.0 0.0 0 1 ILE X HG21 1 ILE +ATOM 11 H . X . -1.791 5.454 -8.787 0.0 0.0 0 1 ILE X HG22 1 ILE +ATOM 12 H . X . -0.792 6.909 -9.011 0.0 0.0 0 1 ILE X HG23 1 ILE +ATOM 13 C . X . -2.124 5.578 -6.072 0.0 0.0 0 1 ILE X CG1 1 ILE +ATOM 14 H . X . -2.981 5.091 -6.536 0.0 0.0 0 1 ILE X HG12 1 ILE +ATOM 15 H . X . -2.429 6.030 -5.128 0.0 0.0 0 1 ILE X HG13 1 ILE +ATOM 16 C . X . -1.007 4.519 -5.804 0.0 0.0 0 1 ILE X CD1 1 ILE +ATOM 17 H . X . -0.148 5.005 -5.340 0.0 0.0 0 1 ILE X HD11 1 ILE +ATOM 18 H . X . -1.390 3.746 -5.138 0.0 0.0 0 1 ILE X HD12 1 ILE +ATOM 19 H . X . -0.701 4.066 -6.747 0.0 0.0 0 1 ILE X HD13 1 ILE +ATOM 20 C . X . -0.237 8.776 -7.325 1.0 1.0 0 1 ILE X C 1 ILE +ATOM 21 O . X . -1.148 9.569 -7.678 1.0 1.0 0 1 ILE X O 1 ILE +ATOM 22 N . X . 0.992 8.847 -7.770 1.0 1.0 0 2 VAL X N 1 VAL +ATOM 23 H . X . 1.688 8.203 -7.422 0.0 0.0 0 2 VAL X H 1 VAL +ATOM 24 C . X . 1.395 9.821 -8.829 1.0 1.0 0 2 VAL X CA 1 VAL +ATOM 25 H . X . 0.710 10.664 -8.916 0.0 0.0 0 2 VAL X HA 1 VAL +ATOM 26 C . X . 2.810 10.364 -8.492 0.0 0.0 0 2 VAL X CB 1 VAL +ATOM 27 H . X . 3.535 9.553 -8.568 0.0 0.0 0 2 VAL X HB 1 VAL +ATOM 28 C . X . 3.192 11.491 -9.481 0.0 0.0 0 2 VAL X CG1 1 VAL +ATOM 29 H . X . 2.469 12.303 -9.405 0.0 0.0 0 2 VAL X HG11 1 VAL +ATOM 30 H . X . 4.186 11.867 -9.238 0.0 0.0 0 2 VAL X HG12 1 VAL +ATOM 31 H . X . 3.191 11.098 -10.498 0.0 0.0 0 2 VAL X HG13 1 VAL +ATOM 32 C . X . 2.848 10.873 -7.003 0.0 0.0 0 2 VAL X CG2 1 VAL +ATOM 33 H . X . 2.610 10.049 -6.330 0.0 0.0 0 2 VAL X HG21 1 VAL +ATOM 34 H . X . 3.844 11.252 -6.773 0.0 0.0 0 2 VAL X HG22 1 VAL +ATOM 35 H . X . 2.117 11.671 -6.872 0.0 0.0 0 2 VAL X HG23 1 VAL +ATOM 36 C . X . 1.490 9.129 -10.197 1.0 1.0 0 2 VAL X C 1 VAL +ATOM 37 O . X . 2.065 8.013 -10.305 1.0 1.0 0 2 VAL X O 1 VAL +ATOM 38 N . X . 0.940 9.779 -11.177 1.0 1.0 0 3 GLY X N 1 GLY +ATOM 39 H . X . 0.405 10.623 -11.029 0.0 0.0 0 3 GLY X H 1 GLY +ATOM 40 C . X . 1.091 9.288 -12.536 1.0 1.0 0 3 GLY X CA 1 GLY +ATOM 41 H . X . 0.809 10.087 -13.222 0.0 0.0 0 3 GLY X HA2 1 GLY +ATOM 42 H . X . 2.139 9.029 -12.692 0.0 0.0 0 3 GLY X HA3 1 GLY +ATOM 43 C . X . 0.222 8.052 -12.822 1.0 1.0 0 3 GLY X C 1 GLY +ATOM 44 O . X . 0.649 7.231 -13.680 1.0 1.0 0 3 GLY X O 1 GLY +ATOM 45 N . X . -0.901 7.843 -12.052 1.0 1.0 0 4 GLY X N 1 GLY +ATOM 46 H . X . -1.180 8.524 -11.360 0.0 0.0 0 4 GLY X H 1 GLY +ATOM 47 C . X . -1.725 6.628 -12.211 1.0 1.0 0 4 GLY X CA 1 GLY +ATOM 48 H . X . -1.190 5.910 -12.834 0.0 0.0 0 4 GLY X HA2 1 GLY +ATOM 49 H . X . -1.911 6.190 -11.231 0.0 0.0 0 4 GLY X HA3 1 GLY +ATOM 50 C . X . -3.070 6.961 -12.874 1.0 1.0 0 4 GLY X C 1 GLY +ATOM 51 O . X . -3.186 8.002 -13.574 1.0 1.0 0 4 GLY X O 1 GLY +ATOM 52 N . X . -4.088 6.160 -12.635 1.0 1.0 0 5 TYR X N 1 TYR +ATOM 53 H . X . -3.972 5.342 -12.053 0.0 0.0 0 5 TYR X H 1 TYR +ATOM 54 C . X . -5.395 6.393 -13.254 1.0 1.0 0 5 TYR X CA 1 TYR +ATOM 55 H . X . -5.497 7.440 -13.537 0.0 0.0 0 5 TYR X HA 1 TYR +ATOM 56 C . X . -5.529 5.509 -14.544 0.0 0.0 0 5 TYR X CB 1 TYR +ATOM 57 H . X . -6.501 5.727 -14.986 0.0 0.0 0 5 TYR X HB2 1 TYR +ATOM 58 H . X . -4.741 5.809 -15.235 0.0 0.0 0 5 TYR X HB3 1 TYR +ATOM 59 C . X . -5.418 3.991 -14.264 0.0 0.0 0 5 TYR X CG 1 TYR +ATOM 60 C . X . -6.527 3.160 -14.150 0.0 0.0 0 5 TYR X CD1 1 TYR +ATOM 61 H . X . -7.529 3.571 -14.267 0.0 0.0 0 5 TYR X HD1 1 TYR +ATOM 62 C . X . -6.356 1.794 -13.884 0.0 0.0 0 5 TYR X CE1 1 TYR +ATOM 63 H . X . -7.214 1.126 -13.815 0.0 0.0 0 5 TYR X HE1 1 TYR +ATOM 64 C . X . -5.058 1.281 -13.757 0.0 0.0 0 5 TYR X CZ 1 TYR +ATOM 65 O . X . -4.784 -0.095 -13.465 0.0 0.0 0 5 TYR X OH 1 TYR +ATOM 66 H . X . -5.579 -0.623 -13.366 0.0 0.0 0 5 TYR X HH 1 TYR +ATOM 67 C . X . -3.967 2.116 -13.864 0.0 0.0 0 5 TYR X CE2 1 TYR +ATOM 68 H . X . -2.957 1.722 -13.749 0.0 0.0 0 5 TYR X HE2 1 TYR +ATOM 69 C . X . -4.160 3.466 -14.120 0.0 0.0 0 5 TYR X CD2 1 TYR +ATOM 70 H . X . -3.301 4.132 -14.210 0.0 0.0 0 5 TYR X HD2 1 TYR +ATOM 71 C . X . -6.457 6.084 -12.224 1.0 1.0 0 5 TYR X C 1 TYR +ATOM 72 O . X . -6.140 5.520 -11.155 1.0 1.0 0 5 TYR X O 1 TYR +ATOM 73 N . X . -7.620 6.566 -12.466 1.0 1.0 0 6 THR X N 1 THR +ATOM 74 H . X . -7.775 7.045 -13.341 0.0 0.0 0 6 THR X H 1 THR +ATOM 75 C . X . -8.770 6.348 -11.578 1.0 1.0 0 6 THR X CA 1 THR +ATOM 76 H . X . -8.550 6.577 -10.535 0.0 0.0 0 6 THR X HA 1 THR +ATOM 77 C . X . -9.931 7.257 -12.050 0.0 0.0 0 6 THR X CB 1 THR +ATOM 78 H . X . -10.138 7.039 -13.098 0.0 0.0 0 6 THR X HB 1 THR +ATOM 79 C . X . -11.208 7.019 -11.212 0.0 0.0 0 6 THR X CG2 1 THR +ATOM 80 H . X . -11.001 7.237 -10.164 0.0 0.0 0 6 THR X HG21 1 THR +ATOM 81 H . X . -12.004 7.672 -11.569 0.0 0.0 0 6 THR X HG22 1 THR +ATOM 82 H . X . -11.519 5.979 -11.311 0.0 0.0 0 6 THR X HG23 1 THR +ATOM 83 O . X . -9.505 8.580 -11.960 0.0 0.0 0 6 THR X OG1 1 THR +ATOM 84 H . X . -10.210 9.164 -12.248 0.0 0.0 0 6 THR X HG1 1 THR +ATOM 85 C . X . -9.286 4.927 -11.741 1.0 1.0 0 6 THR X C 1 THR +ATOM 86 O . X . -9.549 4.466 -12.888 1.0 1.0 0 6 THR X O 1 THR +ATOM 87 N . X . -9.174 4.191 -10.691 1.0 1.0 0 7 CYX X N 1 CYS +ATOM 88 H . X . -9.037 4.580 -9.769 0.0 0.0 0 7 CYX X H 1 CYS +ATOM 89 C . X . -9.405 2.755 -10.808 1.0 1.0 0 7 CYX X CA 1 CYS +ATOM 90 H . X . -8.611 2.269 -11.377 0.0 0.0 0 7 CYX X HA 1 CYS +ATOM 91 C . X . -9.412 2.182 -9.394 0.0 0.0 0 7 CYX X CB 1 CYS +ATOM 92 H . X . -10.121 2.737 -8.780 0.0 0.0 0 7 CYX X HB2 1 CYS +ATOM 93 H . X . -9.704 1.133 -9.428 0.0 0.0 0 7 CYX X HB3 1 CYS +ATOM 94 S . X . -7.843 2.368 -8.509 0.0 0.0 0 7 CYX X SG 1 CYS +ATOM 95 C . X . -10.808 2.468 -11.331 1.0 1.0 0 7 CYX X C 1 CYS +ATOM 96 O . X . -10.983 1.452 -12.017 1.0 1.0 0 7 CYX X O 1 CYS +ATOM 97 N . X . -11.812 3.206 -10.877 1.0 1.0 0 8 GLY X N 1 GLY +ATOM 98 H . X . -11.600 4.029 -10.331 0.0 0.0 0 8 GLY X H 1 GLY +ATOM 99 C . X . -13.218 2.883 -11.131 1.0 1.0 0 8 GLY X CA 1 GLY +ATOM 100 H . X . -13.776 3.786 -11.378 0.0 0.0 0 8 GLY X HA2 1 GLY +ATOM 101 H . X . -13.301 2.169 -11.950 0.0 0.0 0 8 GLY X HA3 1 GLY +ATOM 102 C . X . -13.810 2.263 -9.870 1.0 1.0 0 8 GLY X C 1 GLY +ATOM 103 O . X . -13.072 1.543 -9.149 1.0 1.0 0 8 GLY X O 1 GLY +ATOM 104 N . X . -15.049 2.668 -9.532 1.0 1.0 0 9 ALA X N 1 ALA +ATOM 105 H . X . -15.534 3.342 -10.107 0.0 0.0 0 9 ALA X H 1 ALA +ATOM 106 C . X . -15.657 2.281 -8.238 1.0 1.0 0 9 ALA X CA 1 ALA +ATOM 107 H . X . -14.973 2.673 -7.484 0.0 0.0 0 9 ALA X HA 1 ALA +ATOM 108 C . X . -17.038 2.967 -8.060 0.0 0.0 0 9 ALA X CB 1 ALA +ATOM 109 H . X . -17.735 2.578 -8.802 0.0 0.0 0 9 ALA X HB1 1 ALA +ATOM 110 H . X . -17.420 2.761 -7.060 0.0 0.0 0 9 ALA X HB2 1 ALA +ATOM 111 H . X . -16.929 4.043 -8.193 0.0 0.0 0 9 ALA X HB3 1 ALA +ATOM 112 C . X . -15.714 0.755 -8.018 1.0 1.0 0 9 ALA X C 1 ALA +ATOM 113 O . X . -16.201 -0.009 -8.894 1.0 1.0 0 9 ALA X O 1 ALA +ATOM 114 N . X . -15.150 0.319 -6.877 1.0 1.0 0 10 ASN X N 1 ASN +ATOM 115 H . X . -14.649 1.012 -6.339 0.0 0.0 0 10 ASN X H 1 ASN +ATOM 116 C . X . -15.158 -1.049 -6.397 1.0 1.0 0 10 ASN X CA 1 ASN +ATOM 117 H . X . -14.542 -1.120 -5.500 0.0 0.0 0 10 ASN X HA 1 ASN +ATOM 118 C . X . -16.571 -1.514 -6.056 0.0 0.0 0 10 ASN X CB 1 ASN +ATOM 119 H . X . -17.133 -1.558 -6.989 0.0 0.0 0 10 ASN X HB2 1 ASN +ATOM 120 H . X . -16.582 -2.494 -5.579 0.0 0.0 0 10 ASN X HB3 1 ASN +ATOM 121 C . X . -17.255 -0.500 -5.115 0.0 0.0 0 10 ASN X CG 1 ASN +ATOM 122 O . X . -16.838 -0.303 -3.935 0.0 0.0 0 10 ASN X OD1 1 ASN +ATOM 123 N . X . -18.314 0.075 -5.607 0.0 0.0 0 10 ASN X ND2 1 ASN +ATOM 124 H . X . -18.820 0.752 -5.054 0.0 0.0 0 10 ASN X HD21 1 ASN +ATOM 125 H . X . -18.624 -0.159 -6.539 0.0 0.0 0 10 ASN X HD22 1 ASN +ATOM 126 C . X . -14.540 -1.974 -7.429 1.0 1.0 0 10 ASN X C 1 ASN +ATOM 127 O . X . -14.683 -3.214 -7.293 1.0 1.0 0 10 ASN X O 1 ASN +ATOM 128 N . X . -13.657 -1.411 -8.271 1.0 1.0 0 11 THR X N 1 THR +ATOM 129 H . X . -13.550 -0.422 -8.445 0.0 0.0 0 11 THR X H 1 THR +ATOM 130 C . X . -12.834 -2.359 -9.065 1.0 1.0 0 11 THR X CA 1 THR +ATOM 131 H . X . -13.440 -3.214 -9.364 0.0 0.0 0 11 THR X HA 1 THR +ATOM 132 C . X . -12.283 -1.677 -10.336 0.0 0.0 0 11 THR X CB 1 THR +ATOM 133 H . X . -11.779 -2.439 -10.931 0.0 0.0 0 11 THR X HB 1 THR +ATOM 134 C . X . -13.374 -1.014 -11.176 0.0 0.0 0 11 THR X CG2 1 THR +ATOM 135 H . X . -13.877 -0.251 -10.582 0.0 0.0 0 11 THR X HG21 1 THR +ATOM 136 H . X . -12.925 -0.552 -12.055 0.0 0.0 0 11 THR X HG22 1 THR +ATOM 137 H . X . -14.098 -1.766 -11.490 0.0 0.0 0 11 THR X HG23 1 THR +ATOM 138 O . X . -11.343 -0.670 -9.974 0.0 0.0 0 11 THR X OG1 1 THR +ATOM 139 H . X . -11.003 -0.249 -10.767 0.0 0.0 0 11 THR X HG1 1 THR +ATOM 140 C . X . -11.660 -2.997 -8.303 1.0 1.0 0 11 THR X C 1 THR +ATOM 141 O . X . -10.998 -3.922 -8.838 1.0 1.0 0 11 THR X O 1 THR +ATOM 142 N . X . -11.370 -2.558 -7.081 1.0 1.0 0 12 VAL X N 1 VAL +ATOM 143 H . X . -11.900 -1.789 -6.696 0.0 0.0 0 12 VAL X H 1 VAL +ATOM 144 C . X . -10.280 -3.139 -6.262 1.0 1.0 0 12 VAL X CA 1 VAL +ATOM 145 H . X . -9.856 -4.065 -6.652 0.0 0.0 0 12 VAL X HA 1 VAL +ATOM 146 C . X . -9.126 -2.122 -6.033 0.0 0.0 0 12 VAL X CB 1 VAL +ATOM 147 H . X . -9.494 -1.305 -5.412 0.0 0.0 0 12 VAL X HB 1 VAL +ATOM 148 C . X . -7.926 -2.804 -5.330 0.0 0.0 0 12 VAL X CG1 1 VAL +ATOM 149 H . X . -7.557 -3.621 -5.950 0.0 0.0 0 12 VAL X HG11 1 VAL +ATOM 150 H . X . -7.130 -2.075 -5.179 0.0 0.0 0 12 VAL X HG12 1 VAL +ATOM 151 H . X . -8.245 -3.197 -4.365 0.0 0.0 0 12 VAL X HG13 1 VAL +ATOM 152 C . X . -8.685 -1.355 -7.309 0.0 0.0 0 12 VAL X CG2 1 VAL +ATOM 153 H . X . -9.530 -0.793 -7.706 0.0 0.0 0 12 VAL X HG21 1 VAL +ATOM 154 H . X . -7.876 -0.668 -7.059 0.0 0.0 0 12 VAL X HG22 1 VAL +ATOM 155 H . X . -8.338 -2.066 -8.059 0.0 0.0 0 12 VAL X HG23 1 VAL +ATOM 156 C . X . -10.810 -3.593 -4.881 1.0 1.0 0 12 VAL X C 1 VAL +ATOM 157 O . X . -10.840 -2.781 -3.943 1.0 1.0 0 12 VAL X O 1 VAL +ATOM 158 N . X . -11.596 -4.643 -4.865 1.0 1.0 0 13 PRO X N 1 PRO +ATOM 159 C . X . -11.579 -5.770 -5.836 0.0 0.0 0 13 PRO X CD 1 PRO +ATOM 160 H . X . -10.591 -6.230 -5.803 0.0 0.0 0 13 PRO X HD2 1 PRO +ATOM 161 H . X . -11.756 -5.362 -6.831 0.0 0.0 0 13 PRO X HD3 1 PRO +ATOM 162 C . X . -12.709 -6.744 -5.383 0.0 0.0 0 13 PRO X CG 1 PRO +ATOM 163 H . X . -12.249 -7.696 -5.119 0.0 0.0 0 13 PRO X HG2 1 PRO +ATOM 164 H . X . -13.388 -6.889 -6.223 0.0 0.0 0 13 PRO X HG3 1 PRO +ATOM 165 C . X . -13.444 -6.125 -4.185 0.0 0.0 0 13 PRO X CB 1 PRO +ATOM 166 H . X . -13.428 -6.846 -3.368 0.0 0.0 0 13 PRO X HB2 1 PRO +ATOM 167 H . X . -14.474 -5.843 -4.400 0.0 0.0 0 13 PRO X HB3 1 PRO +ATOM 168 C . X . -12.616 -4.860 -3.793 1.0 1.0 0 13 PRO X CA 1 PRO +ATOM 169 H . X . -13.220 -3.957 -3.706 0.0 0.0 0 13 PRO X HA 1 PRO +ATOM 170 C . X . -11.961 -5.170 -2.436 1.0 1.0 0 13 PRO X C 1 PRO +ATOM 171 O . X . -12.694 -5.197 -1.434 1.0 1.0 0 13 PRO X O 1 PRO +ATOM 172 N . X . -10.656 -5.448 -2.407 1.0 1.0 0 14 TYR X N 1 TYR +ATOM 173 H . X . -10.130 -5.448 -3.269 0.0 0.0 0 14 TYR X H 1 TYR +ATOM 174 C . X . -9.946 -5.768 -1.157 1.0 1.0 0 14 TYR X CA 1 TYR +ATOM 175 H . X . -10.653 -6.195 -0.446 0.0 0.0 0 14 TYR X HA 1 TYR +ATOM 176 C . X . -8.799 -6.783 -1.384 0.0 0.0 0 14 TYR X CB 1 TYR +ATOM 177 H . X . -8.155 -6.746 -0.505 0.0 0.0 0 14 TYR X HB2 1 TYR +ATOM 178 H . X . -9.193 -7.792 -1.503 0.0 0.0 0 14 TYR X HB3 1 TYR +ATOM 179 C . X . -7.979 -6.398 -2.639 0.0 0.0 0 14 TYR X CG 1 TYR +ATOM 180 C . X . -6.940 -5.489 -2.541 0.0 0.0 0 14 TYR X CD1 1 TYR +ATOM 181 H . X . -6.697 -5.072 -1.564 0.0 0.0 0 14 TYR X HD1 1 TYR +ATOM 182 C . X . -6.202 -5.102 -3.674 0.0 0.0 0 14 TYR X CE1 1 TYR +ATOM 183 H . X . -5.386 -4.383 -3.592 0.0 0.0 0 14 TYR X HE1 1 TYR +ATOM 184 C . X . -6.519 -5.667 -4.922 0.0 0.0 0 14 TYR X CZ 1 TYR +ATOM 185 O . X . -5.774 -5.317 -6.088 0.0 0.0 0 14 TYR X OH 1 TYR +ATOM 186 H . X . -5.074 -4.684 -5.910 0.0 0.0 0 14 TYR X HH 1 TYR +ATOM 187 C . X . -7.593 -6.577 -5.023 0.0 0.0 0 14 TYR X CE2 1 TYR +ATOM 188 H . X . -7.856 -7.001 -5.992 0.0 0.0 0 14 TYR X HE2 1 TYR +ATOM 189 C . X . -8.322 -6.937 -3.877 0.0 0.0 0 14 TYR X CD2 1 TYR +ATOM 190 H . X . -9.153 -7.637 -3.958 0.0 0.0 0 14 TYR X HD2 1 TYR +ATOM 191 C . X . -9.353 -4.501 -0.562 1.0 1.0 0 14 TYR X C 1 TYR +ATOM 192 O . X . -8.728 -4.605 0.545 1.0 1.0 0 14 TYR X O 1 TYR +ATOM 193 N . X . -9.468 -3.379 -1.328 1.0 1.0 0 15 GLN X N 1 GLN +ATOM 194 H . X . -9.894 -3.376 -2.243 0.0 0.0 0 15 GLN X H 1 GLN +ATOM 195 C . X . -8.836 -2.113 -0.835 1.0 1.0 0 15 GLN X CA 1 GLN +ATOM 196 H . X . -7.821 -2.341 -0.508 0.0 0.0 0 15 GLN X HA 1 GLN +ATOM 197 C . X . -8.771 -0.990 -1.918 0.0 0.0 0 15 GLN X CB 1 GLN +ATOM 198 H . X . -8.090 -1.333 -2.697 0.0 0.0 0 15 GLN X HB2 1 GLN +ATOM 199 H . X . -9.773 -0.883 -2.333 0.0 0.0 0 15 GLN X HB3 1 GLN +ATOM 200 C . X . -8.280 0.402 -1.367 0.0 0.0 0 15 GLN X CG 1 GLN +ATOM 201 H . X . -8.579 1.037 -2.201 0.0 0.0 0 15 GLN X HG2 1 GLN +ATOM 202 H . X . -8.760 0.752 -0.453 0.0 0.0 0 15 GLN X HG3 1 GLN +ATOM 203 C . X . -6.742 0.508 -1.191 0.0 0.0 0 15 GLN X CD 1 GLN +ATOM 204 O . X . -6.210 1.094 -0.173 0.0 0.0 0 15 GLN X OE1 1 GLN +ATOM 205 N . X . -6.037 0.159 -2.254 0.0 0.0 0 15 GLN X NE2 1 GLN +ATOM 206 H . X . -5.028 0.199 -2.223 0.0 0.0 0 15 GLN X HE21 1 GLN +ATOM 207 H . X . -6.510 -0.146 -3.092 0.0 0.0 0 15 GLN X HE22 1 GLN +ATOM 208 C . X . -9.580 -1.639 0.419 1.0 1.0 0 15 GLN X C 1 GLN +ATOM 209 O . X . -10.814 -1.403 0.311 1.0 1.0 0 15 GLN X O 1 GLN +ATOM 210 N . X . -8.856 -1.293 1.490 1.0 1.0 0 16 VAL X N 1 VAL +ATOM 211 H . X . -7.859 -1.452 1.537 0.0 0.0 0 16 VAL X H 1 VAL +ATOM 212 C . X . -9.527 -0.669 2.664 1.0 1.0 0 16 VAL X CA 1 VAL +ATOM 213 H . X . -10.496 -0.228 2.896 0.0 0.0 0 16 VAL X HA 1 VAL +ATOM 214 C . X . -9.123 -1.634 3.832 0.0 0.0 0 16 VAL X CB 1 VAL +ATOM 215 H . X . -8.225 -2.122 3.453 0.0 0.0 0 16 VAL X HB 1 VAL +ATOM 216 C . X . -8.862 -1.115 5.233 0.0 0.0 0 16 VAL X CG1 1 VAL +ATOM 217 H . X . -9.759 -0.627 5.613 0.0 0.0 0 16 VAL X HG11 1 VAL +ATOM 218 H . X . -8.597 -1.947 5.886 0.0 0.0 0 16 VAL X HG12 1 VAL +ATOM 219 H . X . -8.041 -0.398 5.208 0.0 0.0 0 16 VAL X HG13 1 VAL +ATOM 220 C . X . -9.701 -3.065 3.684 0.0 0.0 0 16 VAL X CG2 1 VAL +ATOM 221 H . X . -9.340 -3.509 2.756 0.0 0.0 0 16 VAL X HG21 1 VAL +ATOM 222 H . X . -9.380 -3.676 4.528 0.0 0.0 0 16 VAL X HG22 1 VAL +ATOM 223 H . X . -10.789 -3.017 3.664 0.0 0.0 0 16 VAL X HG23 1 VAL +ATOM 224 C . X . -9.002 0.764 2.836 1.0 1.0 0 16 VAL X C 1 VAL +ATOM 225 O . X . -7.803 1.023 2.510 1.0 1.0 0 16 VAL X O 1 VAL +ATOM 226 N . X . -9.789 1.574 3.513 1.0 1.0 0 17 SER X N 1 SER +ATOM 227 H . X . -10.763 1.356 3.667 0.0 0.0 0 17 SER X H 1 SER +ATOM 228 C . X . -9.260 2.836 4.061 1.0 1.0 0 17 SER X CA 1 SER +ATOM 229 H . X . -8.239 2.994 3.711 0.0 0.0 0 17 SER X HA 1 SER +ATOM 230 C . X . -10.126 4.022 3.602 0.0 0.0 0 17 SER X CB 1 SER +ATOM 231 H . X . -9.903 4.199 2.550 0.0 0.0 0 17 SER X HB2 1 SER +ATOM 232 H . X . -11.168 3.723 3.707 0.0 0.0 0 17 SER X HB3 1 SER +ATOM 233 O . X . -9.894 5.240 4.357 0.0 0.0 0 17 SER X OG 1 SER +ATOM 234 H . X . -10.462 5.937 4.022 0.0 0.0 0 17 SER X HG 1 SER +ATOM 235 C . X . -9.289 2.703 5.594 1.0 1.0 0 17 SER X C 1 SER +ATOM 236 O . X . -10.323 2.266 6.157 1.0 1.0 0 17 SER X O 1 SER +ATOM 237 N . X . -8.191 3.097 6.219 1.0 1.0 0 18 LEU X N 1 LEU +ATOM 238 H . X . -7.364 3.308 5.679 0.0 0.0 0 18 LEU X H 1 LEU +ATOM 239 C . X . -8.122 3.232 7.677 1.0 1.0 0 18 LEU X CA 1 LEU +ATOM 240 H . X . -8.830 2.549 8.146 0.0 0.0 0 18 LEU X HA 1 LEU +ATOM 241 C . X . -6.693 2.891 8.184 0.0 0.0 0 18 LEU X CB 1 LEU +ATOM 242 H . X . -6.043 3.631 7.717 0.0 0.0 0 18 LEU X HB2 1 LEU +ATOM 243 H . X . -6.647 3.001 9.268 0.0 0.0 0 18 LEU X HB3 1 LEU +ATOM 244 C . X . -6.223 1.469 7.789 0.0 0.0 0 18 LEU X CG 1 LEU +ATOM 245 H . X . -6.061 1.433 6.712 0.0 0.0 0 18 LEU X HG 1 LEU +ATOM 246 C . X . -4.909 1.119 8.518 0.0 0.0 0 18 LEU X CD1 1 LEU +ATOM 247 H . X . -5.070 1.154 9.596 0.0 0.0 0 18 LEU X HD11 1 LEU +ATOM 248 H . X . -4.589 0.117 8.232 0.0 0.0 0 18 LEU X HD12 1 LEU +ATOM 249 H . X . -4.137 1.838 8.243 0.0 0.0 0 18 LEU X HD13 1 LEU +ATOM 250 C . X . -7.315 0.420 8.095 0.0 0.0 0 18 LEU X CD2 1 LEU +ATOM 251 H . X . -8.217 0.659 7.532 0.0 0.0 0 18 LEU X HD21 1 LEU +ATOM 252 H . X . -6.959 -0.570 7.808 0.0 0.0 0 18 LEU X HD22 1 LEU +ATOM 253 H . X . -7.540 0.430 9.162 0.0 0.0 0 18 LEU X HD23 1 LEU +ATOM 254 C . X . -8.481 4.693 8.050 1.0 1.0 0 18 LEU X C 1 LEU +ATOM 255 O . X . -7.854 5.652 7.527 1.0 1.0 0 18 LEU X O 1 LEU +ATOM 256 N . X . -9.483 4.798 8.877 1.0 1.0 0 19 ASN X N 1 ASN +ATOM 257 H . X . -9.922 3.946 9.194 0.0 0.0 0 19 ASN X H 1 ASN +ATOM 258 C . X . -10.087 6.075 9.262 1.0 1.0 0 19 ASN X CA 1 ASN +ATOM 259 H . X . -9.506 6.892 8.834 0.0 0.0 0 19 ASN X HA 1 ASN +ATOM 260 C . X . -11.552 6.187 8.755 0.0 0.0 0 19 ASN X CB 1 ASN +ATOM 261 H . X . -11.581 5.930 7.696 0.0 0.0 0 19 ASN X HB2 1 ASN +ATOM 262 H . X . -12.150 5.471 9.319 0.0 0.0 0 19 ASN X HB3 1 ASN +ATOM 263 C . X . -12.156 7.578 8.937 0.0 0.0 0 19 ASN X CG 1 ASN +ATOM 264 O . X . -12.441 7.986 10.103 0.0 0.0 0 19 ASN X OD1 1 ASN +ATOM 265 N . X . -12.330 8.294 7.834 0.0 0.0 0 19 ASN X ND2 1 ASN +ATOM 266 H . X . -12.725 9.221 7.895 0.0 0.0 0 19 ASN X HD21 1 ASN +ATOM 267 H . X . -12.065 7.909 6.939 0.0 0.0 0 19 ASN X HD22 1 ASN +ATOM 268 C . X . -9.960 6.296 10.779 1.0 1.0 0 19 ASN X C 1 ASN +ATOM 269 O . X . -10.349 5.425 11.618 1.0 1.0 0 19 ASN X O 1 ASN +ATOM 270 N . X . -9.438 7.495 11.109 1.0 1.0 0 20 SER X N 1 SER +ATOM 271 H . X . -8.919 8.086 10.475 0.0 0.0 0 20 SER X H 1 SER +ATOM 272 C . X . -9.500 7.876 12.513 1.0 1.0 0 20 SER X CA 1 SER +ATOM 273 H . X . -10.170 7.198 13.041 0.0 0.0 0 20 SER X HA 1 SER +ATOM 274 C . X . -8.105 7.811 13.181 0.0 0.0 0 20 SER X CB 1 SER +ATOM 275 H . X . -8.192 8.103 14.228 0.0 0.0 0 20 SER X HB2 1 SER +ATOM 276 H . X . -7.722 6.792 13.119 0.0 0.0 0 20 SER X HB3 1 SER +ATOM 277 O . X . -7.195 8.709 12.505 0.0 0.0 0 20 SER X OG 1 SER +ATOM 278 H . X . -6.332 8.665 12.923 0.0 0.0 0 20 SER X HG 1 SER +ATOM 279 C . X . -10.181 9.231 12.671 1.0 1.0 0 20 SER X C 1 SER +ATOM 280 O . X . -9.534 10.142 13.241 1.0 1.0 0 20 SER X O 1 SER ##