[phenixbb] NCS interpretation
Thomas C. Terwilliger
terwilliger at lanl.gov
Wed Oct 24 18:50:42 PDT 2007
Hi Claudia,
It looks to me like your ncs is almost exactly 222 symmetry, plus a
centering.
You can tell it is 222 symmetry because all the operators are zeroes
except along the diagonal, and the diagonal elements are all 1 or -1 (or
close to it). That means that the 4 unique operators go like:
x y z
-x -y z
-x y -z
x -y -z
The 8 operators appear to be 2 sets of 4, with a centering operation...
I made a little PDB file (at the end of this message) that shows the
symmetry in these operators. If you run phenix.simple_ncs_from_pdb on it
you should get back something similar to your operators.
If you run the phenix.autobuild wizard one cycle of rebuilding (not
rebuild_in_place) then it will try to find the most compact arrangement of
your molecules, and it will also try to find the point group(s) of the
molecule... in this case I think it will fail to find the point group
though (as it failed with my test model made from your operators).
Question: do your molecules pack nicely with this arrangement?
-Tom T
CRYST1 68.900 79.240 90.040 89.97 90.04 89.97 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.014514 -0.000008 0.000010 0.00000
SCALE2 0.000000 0.012620 -0.000007 0.00000
SCALE3 0.000000 0.000000 0.011106 0.00000
ATOM 1 N GLY A 11 14.343 3.315 16.927 1.00 45.51
ATOM 2 CA GLY A 11 14.811 1.998 17.345 1.00 45.51
ATOM 3 C GLY A 11 15.247 1.270 16.077 1.00 45.51
ATOM 4 O GLY A 11 14.898 1.674 14.948 1.00 45.51
ATOM 5 N GLY A 12 16.012 0.197 16.221 1.00 45.51
ATOM 6 CA GLY A 12 16.552 -0.502 15.059 1.00 45.51
ATOM 7 C GLY A 12 16.175 -1.959 15.092 1.00 45.51
ATOM 8 O GLY A 12 16.336 -2.626 16.122 1.00 45.51
ATOM 9 N GLY A 13 15.633 -2.483 13.985 1.00 45.51
ATOM 10 CA GLY A 13 15.426 -3.925 13.898 1.00 45.51
ATOM 11 C GLY A 13 16.417 -4.451 12.863 1.00 45.51
ATOM 12 O GLY A 13 16.869 -3.746 11.948 1.00 45.51
ATOM 13 N GLY A 14 16.817 -5.708 13.039 1.00 45.51
ATOM 14 CA GLY A 14 17.838 -6.300 12.198 1.00 45.51
ATOM 15 C GLY A 14 17.499 -7.728 11.801 1.00 45.51
ATOM 16 O GLY A 14 16.579 -8.347 12.326 1.00 45.51
ATOM 17 N GLY A 15 18.236 -8.243 10.821 1.00 45.51
ATOM 18 CA GLY A 15 18.016 -9.590 10.322 1.00 45.51
ATOM 19 C GLY A 15 18.896 -9.857 9.116 1.00 45.51
ATOM 20 O GLY A 15 19.799 -9.094 8.774 1.00 45.51
ATOM 21 N GLY A 16 18.579 -10.960 8.439 1.00 45.51
ATOM 22 CA GLY A 16 19.312 -11.427 7.265 1.00 45.51
ATOM 23 C GLY A 16 18.358 -11.735 6.103 1.00 45.51
ATOM 24 O GLY A 16 17.381 -12.470 6.253 1.00 45.51
ATOM 25 N GLY A 17 18.665 -11.180 4.919 1.00 45.51
ATOM 26 CA GLY A 17 17.900 -11.402 3.696 1.00 45.51
ATOM 27 C GLY A 17 17.912 -12.860 3.238 1.00 45.51
ATOM 28 O GLY A 17 18.722 -13.663 3.702 1.00 45.51
ATOM 29 N GLY A 18 17.039 -13.175 2.273 1.00 45.51
ATOM 30 CA GLY A 18 16.903 -14.515 1.711 1.00 45.51
ATOM 31 C GLY A 18 18.197 -15.177 1.241 1.00 45.51
ATOM 32 O GLY A 18 18.412 -16.379 1.421 1.00 45.51
ATOM 33 N GLY A 19 19.088 -14.380 0.652 1.00 45.51
ATOM 34 CA GLY A 19 20.343 -14.917 0.178 1.00 45.51
ATOM 35 C GLY A 19 21.578 -14.472 0.955 1.00 45.51
ATOM 36 O GLY A 19 22.675 -14.340 0.406 1.00 45.51
ATOM 37 N GLY A 20 21.386 -14.238 2.266 1.00 45.51
ATOM 38 CA GLY A 20 22.494 -14.027 3.191 1.00 45.51
ATOM 39 C GLY A 20 22.894 -12.620 3.608 1.00 45.51
ATOM 40 O GLY A 20 23.593 -12.505 4.614 1.00 45.51
ATOM 41 N GLY A 21 22.517 -11.538 2.925 1.00 45.51
ATOM 42 CA GLY A 21 22.940 -10.189 3.303 1.00 45.51
ATOM 43 C GLY A 21 22.343 -9.681 4.631 1.00 45.51
ATOM 44 O GLY A 21 21.143 -9.824 4.862 1.00 45.51
ATOM 45 N GLY A 22 23.105 -9.075 5.551 1.00 45.51
ATOM 46 CA GLY A 22 22.566 -8.357 6.707 1.00 45.51
ATOM 47 C GLY A 22 21.798 -7.088 6.339 1.00 45.51
ATOM 48 O GLY A 22 22.103 -6.402 5.353 1.00 45.51
ATOM 49 N GLY A 23 20.753 -6.790 7.130 1.00 45.51
ATOM 50 CA GLY A 23 20.048 -5.519 6.978 1.00 45.51
ATOM 51 C GLY A 23 19.765 -4.940 8.347 1.00 45.51
ATOM 52 O GLY A 23 19.689 -5.665 9.347 1.00 45.51
ATOM 53 N GLY A 24 19.555 -3.628 8.334 1.00 45.51
ATOM 54 CA GLY A 24 19.129 -2.901 9.522 1.00 45.51
ATOM 55 C GLY A 24 18.093 -1.892 9.118 1.00 45.51
ATOM 56 O GLY A 24 18.258 -1.184 8.123 1.00 45.51
ATOM 57 N GLY A 25 17.006 -1.822 9.877 1.00 45.51
ATOM 58 CA GLY A 25 15.964 -0.840 9.590 1.00 45.51
ATOM 59 C GLY A 25 15.738 0.058 10.803 1.00 45.51
ATOM 60 O GLY A 25 15.499 -0.461 11.884 1.00 45.51
ATOM 61 N GLY A 26 15.823 1.380 10.651 1.00 45.51
ATOM 62 CA GLY A 26 15.526 2.319 11.738 1.00 45.51
ATOM 63 C GLY A 26 14.091 2.813 11.699 1.00 45.51
ATOM 64 O GLY A 26 13.604 3.245 10.648 1.00 45.51
ATOM 65 N GLY A 27 13.366 2.776 12.830 1.00 45.51
ATOM 66 CA GLY A 27 11.964 3.126 12.862 1.00 45.51
ATOM 67 C GLY A 27 11.719 4.242 13.876 1.00 45.51
ATOM 68 O GLY A 27 12.295 4.231 14.981 1.00 45.51
ATOM 69 N GLY B 31 48.655 10.108 2.312 1.00 45.51
ATOM 70 CA GLY B 31 49.109 11.422 1.870 1.00 45.51
ATOM 71 C GLY B 31 49.565 12.166 3.121 1.00 45.51
ATOM 72 O GLY B 31 49.240 11.774 4.261 1.00 45.51
ATOM 73 N GLY B 32 50.323 13.241 2.951 1.00 45.51
ATOM 74 CA GLY B 32 50.881 13.956 4.094 1.00 45.51
ATOM 75 C GLY B 32 50.497 15.410 4.052 1.00 45.51
ATOM 76 O GLY B 32 50.636 16.066 3.011 1.00 45.51
ATOM 77 N GLY B 33 49.974 15.945 5.163 1.00 45.51
ATOM 78 CA GLY B 33 49.762 17.387 5.237 1.00 45.51
ATOM 79 C GLY B 33 50.770 17.929 6.247 1.00 45.51
ATOM 80 O GLY B 33 51.243 17.236 7.161 1.00 45.51
ATOM 81 N GLY B 34 51.161 19.186 6.049 1.00 45.51
ATOM 82 CA GLY B 34 52.195 19.792 6.864 1.00 45.51
ATOM 83 C GLY B 34 51.857 21.223 7.251 1.00 45.51
ATOM 84 O GLY B 34 50.925 21.832 6.736 1.00 45.51
ATOM 85 N GLY B 35 52.610 21.752 8.210 1.00 45.51
ATOM 86 CA GLY B 35 52.394 23.104 8.698 1.00 45.51
ATOM 87 C GLY B 35 53.295 23.388 9.884 1.00 45.51
ATOM 88 O GLY B 35 54.208 22.633 10.217 1.00 45.51
ATOM 89 N GLY B 36 52.986 24.498 10.554 1.00 45.51
ATOM 90 CA GLY B 36 53.739 24.981 11.709 1.00 45.51
ATOM 91 C GLY B 36 52.806 25.299 12.885 1.00 45.51
ATOM 92 O GLY B 36 51.823 26.028 12.745 1.00 45.51
ATOM 93 N GLY B 37 53.138 24.758 14.069 1.00 45.51
ATOM 94 CA GLY B 37 52.395 24.991 15.304 1.00 45.51
ATOM 95 C GLY B 37 52.409 26.454 15.745 1.00 45.51
ATOM 96 O GLY B 37 53.207 27.256 15.256 1.00 45.51
ATOM 97 N GLY B 38 51.553 26.777 16.722 1.00 45.51
ATOM 98 CA GLY B 38 51.422 28.123 17.272 1.00 45.51
ATOM 99 C GLY B 38 52.722 28.796 17.709 1.00 45.51
ATOM 100 O GLY B 38 52.928 29.996 17.511 1.00 45.51
ATOM 101 N GLY B 39 53.627 28.009 18.290 1.00 45.51
ATOM 102 CA GLY B 39 54.889 28.557 18.734 1.00 45.51
ATOM 103 C GLY B 39 56.111 28.108 17.939 1.00 45.51
ATOM 104 O GLY B 39 57.218 27.987 18.468 1.00 45.51
ATOM 105 N GLY B 40 55.895 27.858 16.634 1.00 45.51
ATOM 106 CA GLY B 40 56.986 27.642 15.691 1.00 45.51
ATOM 107 C GLY B 40 57.384 26.232 15.283 1.00 45.51
ATOM 108 O GLY B 40 58.065 26.108 14.265 1.00 45.51
ATOM 109 N GLY B 41 57.025 25.156 15.985 1.00 45.51
ATOM 110 CA GLY B 41 57.447 23.804 15.614 1.00 45.51
ATOM 111 C GLY B 41 56.827 23.279 14.304 1.00 45.51
ATOM 112 O GLY B 41 55.623 23.414 14.094 1.00 45.51
ATOM 113 N GLY B 42 57.575 22.665 13.377 1.00 45.51
ATOM 114 CA GLY B 42 57.017 21.932 12.239 1.00 45.51
ATOM 115 C GLY B 42 56.262 20.664 12.636 1.00 45.51
ATOM 116 O GLY B 42 56.589 19.990 13.624 1.00 45.51
ATOM 117 N GLY B 43 55.203 20.352 11.869 1.00 45.51
ATOM 118 CA GLY B 43 54.507 19.080 12.049 1.00 45.51
ATOM 119 C GLY B 43 54.201 18.484 10.692 1.00 45.51
ATOM 120 O GLY B 43 54.103 19.197 9.686 1.00 45.51
ATOM 121 N GLY B 44 53.997 17.171 10.724 1.00 45.51
ATOM 122 CA GLY B 44 53.552 16.429 9.553 1.00 45.51
ATOM 123 C GLY B 44 52.528 15.420 9.988 1.00 45.51
ATOM 124 O GLY B 44 52.715 14.724 10.988 1.00 45.51
ATOM 125 N GLY B 45 51.427 15.337 9.251 1.00 45.51
ATOM 126 CA GLY B 45 50.396 14.354 9.569 1.00 45.51
ATOM 127 C GLY B 45 50.151 13.441 8.371 1.00 45.51
ATOM 128 O GLY B 45 49.889 13.946 7.289 1.00 45.51
ATOM 129 N GLY B 46 50.245 12.121 8.536 1.00 45.51
ATOM 130 CA GLY B 46 49.931 11.168 7.466 1.00 45.51
ATOM 131 C GLY B 46 48.499 10.669 7.538 1.00 45.51
ATOM 132 O GLY B 46 48.034 10.247 8.603 1.00 45.51
ATOM 133 N GLY B 47 47.753 10.690 6.421 1.00 45.51
ATOM 134 CA GLY B 47 46.352 10.333 6.419 1.00 45.51
ATOM 135 C GLY B 47 46.093 9.205 5.423 1.00 45.51
ATOM 136 O GLY B 47 46.648 9.205 4.307 1.00 45.51
ATOM 137 N GLY C 51 59.494 -28.736 16.518 1.00 45.51
ATOM 138 CA GLY C 51 58.985 -27.399 16.806 1.00 45.51
ATOM 139 C GLY C 51 58.707 -26.740 15.458 1.00 45.51
ATOM 140 O GLY C 51 59.187 -27.203 14.402 1.00 45.51
ATOM 141 N GLY C 52 57.935 -25.663 15.452 1.00 45.51
ATOM 142 CA GLY C 52 57.542 -25.027 14.199 1.00 45.51
ATOM 143 C GLY C 52 57.918 -23.570 14.199 1.00 45.51
ATOM 144 O GLY C 52 57.638 -22.850 15.166 1.00 45.51
ATOM 145 N GLY C 53 58.591 -23.105 13.139 1.00 45.51
ATOM 146 CA GLY C 53 58.814 -21.669 13.001 1.00 45.51
ATOM 147 C GLY C 53 57.956 -21.201 11.828 1.00 45.51
ATOM 148 O GLY C 53 57.614 -21.954 10.905 1.00 45.51
ATOM 149 N GLY C 54 57.544 -19.937 11.888 1.00 45.51
ATOM 150 CA GLY C 54 56.633 -19.392 10.901 1.00 45.51
ATOM 151 C GLY C 54 57.024 -17.987 10.472 1.00 45.51
ATOM 152 O GLY C 54 57.877 -17.339 11.070 1.00 45.51
ATOM 153 N GLY C 55 56.412 -17.526 9.385 1.00 45.51
ATOM 154 CA GLY C 55 56.696 -16.207 8.845 1.00 45.51
ATOM 155 C GLY C 55 55.968 -16.006 7.530 1.00 45.51
ATOM 156 O GLY C 55 55.109 -16.788 7.123 1.00 45.51
ATOM 157 N GLY C 56 56.369 -14.940 6.838 1.00 45.51
ATOM 158 CA GLY C 56 55.784 -14.538 5.562 1.00 45.51
ATOM 159 C GLY C 56 56.871 -14.290 4.508 1.00 45.51
ATOM 160 O GLY C 56 57.827 -13.546 4.735 1.00 45.51
ATOM 161 N GLY C 57 56.706 -14.908 3.327 1.00 45.51
ATOM 162 CA GLY C 57 57.613 -14.750 2.194 1.00 45.51
ATOM 163 C GLY C 57 57.662 -13.318 1.661 1.00 45.51
ATOM 164 O GLY C 57 56.806 -12.493 1.982 1.00 45.51
ATOM 165 N GLY C 58 58.646 -13.053 0.793 1.00 45.51
ATOM 166 CA GLY C 58 58.854 -11.745 0.181 1.00 45.51
ATOM 167 C GLY C 58 57.629 -11.111 -0.475 1.00 45.51
ATOM 168 O GLY C 58 57.399 -9.902 -0.386 1.00 45.51
ATOM 169 N GLY C 59 56.811 -11.940 -1.124 1.00 45.51
ATOM 170 CA GLY C 59 55.624 -11.431 -1.772 1.00 45.51
ATOM 171 C GLY C 59 54.303 -11.837 -1.126 1.00 45.51
ATOM 172 O GLY C 59 53.279 -12.000 -1.795 1.00 45.51
ATOM 173 N GLY C 60 54.336 -12.000 0.209 1.00 45.51
ATOM 174 CA GLY C 60 53.124 -12.164 1.004 1.00 45.51
ATOM 175 C GLY C 60 52.671 -13.547 1.444 1.00 45.51
ATOM 176 O GLY C 60 51.856 -13.610 2.364 1.00 45.51
ATOM 177 N GLY C 61 53.122 -14.663 0.870 1.00 45.51
ATOM 178 CA GLY C 61 52.651 -15.991 1.265 1.00 45.51
ATOM 179 C GLY C 61 53.082 -16.427 2.680 1.00 45.51
ATOM 180 O GLY C 61 54.246 -16.269 3.045 1.00 45.51
ATOM 181 N GLY C 62 52.213 -16.984 3.533 1.00 45.51
ATOM 182 CA GLY C 62 52.606 -17.639 4.782 1.00 45.51
ATOM 183 C GLY C 62 53.407 -18.924 4.576 1.00 45.51
ATOM 184 O GLY C 62 53.219 -19.662 3.599 1.00 45.51
ATOM 185 N GLY C 63 54.348 -19.178 5.501 1.00 45.51
ATOM 186 CA GLY C 63 55.061 -20.454 5.503 1.00 45.51
ATOM 187 C GLY C 63 55.175 -20.959 6.924 1.00 45.51
ATOM 188 O GLY C 63 55.134 -20.181 7.886 1.00 45.51
ATOM 189 N GLY C 64 55.379 -22.269 7.006 1.00 45.51
ATOM 190 CA GLY C 64 55.657 -22.931 8.274 1.00 45.51
ATOM 191 C GLY C 64 56.729 -23.958 8.051 1.00 45.51
ATOM 192 O GLY C 64 56.681 -24.718 7.082 1.00 45.51
ATOM 193 N GLY C 65 57.717 -23.986 8.937 1.00 45.51
ATOM 194 CA GLY C 65 58.782 -24.980 8.829 1.00 45.51
ATOM 195 C GLY C 65 58.857 -25.811 10.107 1.00 45.51
ATOM 196 O GLY C 65 58.967 -25.235 11.179 1.00 45.51
ATOM 197 N GLY C 66 58.785 -27.140 10.016 1.00 45.51
ATOM 198 CA GLY C 66 58.945 -28.019 11.179 1.00 45.51
ATOM 199 C GLY C 66 60.372 -28.512 11.338 1.00 45.51
ATOM 200 O GLY C 66 60.980 -28.998 10.378 1.00 45.51
ATOM 201 N GLY C 67 60.957 -28.413 12.544 1.00 45.51
ATOM 202 CA GLY C 67 62.343 -28.758 12.763 1.00 45.51
ATOM 203 C GLY C 67 62.460 -29.818 13.856 1.00 45.51
ATOM 204 O GLY C 67 61.756 -29.750 14.882 1.00 45.51
ATOM 205 N GLY D 71 25.199 42.149 2.692 1.00 45.51
ATOM 206 CA GLY D 71 24.683 40.814 2.408 1.00 45.51
ATOM 207 C GLY D 71 24.408 40.159 3.758 1.00 45.51
ATOM 208 O GLY D 71 24.894 40.621 4.811 1.00 45.51
ATOM 209 N GLY D 72 23.631 39.085 3.768 1.00 45.51
ATOM 210 CA GLY D 72 23.239 38.453 5.024 1.00 45.51
ATOM 211 C GLY D 72 23.609 36.994 5.024 1.00 45.51
ATOM 212 O GLY D 72 23.322 36.273 4.060 1.00 45.51
ATOM 213 N GLY D 73 24.284 36.527 6.082 1.00 45.51
ATOM 214 CA GLY D 73 24.500 35.090 6.222 1.00 45.51
ATOM 215 C GLY D 73 23.645 34.628 7.398 1.00 45.51
ATOM 216 O GLY D 73 23.309 35.384 8.322 1.00 45.51
ATOM 217 N GLY D 74 23.226 33.366 7.342 1.00 45.51
ATOM 218 CA GLY D 74 22.317 32.827 8.333 1.00 45.51
ATOM 219 C GLY D 74 22.703 31.420 8.763 1.00 45.51
ATOM 220 O GLY D 74 23.551 30.768 8.163 1.00 45.51
ATOM 221 N GLY D 75 22.093 30.964 9.853 1.00 45.51
ATOM 222 CA GLY D 75 22.373 29.644 10.393 1.00 45.51
ATOM 223 C GLY D 75 21.649 29.449 11.711 1.00 45.51
ATOM 224 O GLY D 75 20.795 30.235 12.120 1.00 45.51
ATOM 225 N GLY D 76 22.048 28.382 12.403 1.00 45.51
ATOM 226 CA GLY D 76 21.465 27.984 13.682 1.00 45.51
ATOM 227 C GLY D 76 22.556 27.733 14.733 1.00 45.51
ATOM 228 O GLY D 76 23.507 26.985 14.503 1.00 45.51
ATOM 229 N GLY D 77 22.398 28.353 15.913 1.00 45.51
ATOM 230 CA GLY D 77 23.308 28.193 17.043 1.00 45.51
ATOM 231 C GLY D 77 23.353 26.762 17.577 1.00 45.51
ATOM 232 O GLY D 77 22.492 25.940 17.261 1.00 45.51
ATOM 233 N GLY D 78 24.339 26.494 18.443 1.00 45.51
ATOM 234 CA GLY D 78 24.543 25.185 19.056 1.00 45.51
ATOM 235 C GLY D 78 23.317 24.558 19.718 1.00 45.51
ATOM 236 O GLY D 78 23.082 23.350 19.631 1.00 45.51
ATOM 237 N GLY D 79 22.506 25.392 20.368 1.00 45.51
ATOM 238 CA GLY D 79 21.319 24.889 21.021 1.00 45.51
ATOM 239 C GLY D 79 19.998 25.300 20.380 1.00 45.51
ATOM 240 O GLY D 79 18.977 25.469 21.052 1.00 45.51
ATOM 241 N GLY D 80 20.026 25.461 19.044 1.00 45.51
ATOM 242 CA GLY D 80 18.812 25.629 18.253 1.00 45.51
ATOM 243 C GLY D 80 18.363 27.014 17.813 1.00 45.51
ATOM 244 O GLY D 80 17.545 27.079 16.896 1.00 45.51
ATOM 245 N GLY D 81 18.822 28.129 18.384 1.00 45.51
ATOM 246 CA GLY D 81 18.355 29.459 17.988 1.00 45.51
ATOM 247 C GLY D 81 18.783 29.890 16.571 1.00 45.51
ATOM 248 O GLY D 81 19.945 29.727 16.202 1.00 45.51
ATOM 249 N GLY D 82 17.913 30.451 15.720 1.00 45.51
ATOM 250 CA GLY D 82 18.305 31.101 14.469 1.00 45.51
ATOM 251 C GLY D 82 19.112 32.383 14.670 1.00 45.51
ATOM 252 O GLY D 82 18.932 33.124 15.647 1.00 45.51
ATOM 253 N GLY D 83 20.051 32.631 13.741 1.00 45.51
ATOM 254 CA GLY D 83 20.770 33.904 13.735 1.00 45.51
ATOM 255 C GLY D 83 20.881 34.406 12.312 1.00 45.51
ATOM 256 O GLY D 83 20.833 33.627 11.352 1.00 45.51
ATOM 257 N GLY D 84 21.091 35.715 12.228 1.00 45.51
ATOM 258 CA GLY D 84 21.367 36.374 10.959 1.00 45.51
ATOM 259 C GLY D 84 22.445 37.397 11.176 1.00 45.51
ATOM 260 O GLY D 84 22.404 38.159 12.144 1.00 45.51
ATOM 261 N GLY D 85 23.429 37.418 10.286 1.00 45.51
ATOM 262 CA GLY D 85 24.499 38.408 10.388 1.00 45.51
ATOM 263 C GLY D 85 24.573 39.237 9.110 1.00 45.51
ATOM 264 O GLY D 85 24.676 38.659 8.037 1.00 45.51
ATOM 265 N GLY D 86 24.507 40.566 9.199 1.00 45.51
ATOM 266 CA GLY D 86 24.667 41.443 8.034 1.00 45.51
ATOM 267 C GLY D 86 26.096 41.929 7.868 1.00 45.51
ATOM 268 O GLY D 86 26.709 42.414 8.826 1.00 45.51
ATOM 269 N GLY D 87 26.676 41.826 6.660 1.00 45.51
ATOM 270 CA GLY D 87 28.063 42.164 6.437 1.00 45.51
ATOM 271 C GLY D 87 28.181 43.222 5.341 1.00 45.51
ATOM 272 O GLY D 87 27.472 43.155 4.318 1.00 45.51
ATOM 273 N GLY E 91 28.742 29.848 62.009 1.00 45.51
ATOM 274 CA GLY E 91 29.268 28.524 62.325 1.00 45.51
ATOM 275 C GLY E 91 29.601 27.861 60.992 1.00 45.51
ATOM 276 O GLY E 91 29.146 28.306 59.917 1.00 45.51
ATOM 277 N GLY E 92 30.394 26.799 61.019 1.00 45.51
ATOM 278 CA GLY E 92 30.839 26.162 59.784 1.00 45.51
ATOM 279 C GLY E 92 30.491 24.697 59.784 1.00 45.51
ATOM 280 O GLY E 92 30.755 23.990 60.765 1.00 45.51
ATOM 281 N GLY E 93 29.862 24.211 58.707 1.00 45.51
ATOM 282 CA GLY E 93 29.672 22.770 58.574 1.00 45.51
ATOM 283 C GLY E 93 30.575 22.310 57.433 1.00 45.51
ATOM 284 O GLY E 93 30.932 23.063 56.514 1.00 45.51
ATOM 285 N GLY E 94 31.010 21.055 57.516 1.00 45.51
ATOM 286 CA GLY E 94 31.962 20.521 56.563 1.00 45.51
ATOM 287 C GLY E 94 31.613 19.105 56.133 1.00 45.51
ATOM 288 O GLY E 94 30.754 18.444 56.709 1.00 45.51
ATOM 289 N GLY E 95 32.268 18.648 55.070 1.00 45.51
ATOM 290 CA GLY E 95 32.027 17.319 54.532 1.00 45.51
ATOM 291 C GLY E 95 32.800 17.123 53.242 1.00 45.51
ATOM 292 O GLY E 95 33.656 17.919 52.857 1.00 45.51
ATOM 293 N GLY E 96 32.443 16.044 52.547 1.00 45.51
ATOM 294 CA GLY E 96 33.076 15.644 51.293 1.00 45.51
ATOM 295 C GLY E 96 32.027 15.367 50.207 1.00 45.51
ATOM 296 O GLY E 96 31.080 14.606 50.410 1.00 45.51
ATOM 297 N GLY E 97 32.218 15.979 49.027 1.00 45.51
ATOM 298 CA GLY E 97 31.351 15.794 47.868 1.00 45.51
ATOM 299 C GLY E 97 31.346 14.358 47.346 1.00 45.51
ATOM 300 O GLY E 97 32.208 13.552 47.700 1.00 45.51
ATOM 301 N GLY E 98 30.396 14.067 46.448 1.00 45.51
ATOM 302 CA GLY E 98 30.233 12.750 45.841 1.00 45.51
ATOM 303 C GLY E 98 31.491 12.136 45.229 1.00 45.51
ATOM 304 O GLY E 98 31.741 10.932 45.335 1.00 45.51
ATOM 305 N GLY E 99 32.312 12.976 44.600 1.00 45.51
ATOM 306 CA GLY E 99 33.529 12.486 43.993 1.00 45.51
ATOM 307 C GLY E 99 34.820 12.923 44.677 1.00 45.51
ATOM 308 O GLY E 99 35.862 13.101 44.040 1.00 45.51
ATOM 309 N GLY E 100 34.742 13.096 46.009 1.00 45.51
ATOM 310 CA GLY E 100 35.925 13.289 46.841 1.00 45.51
ATOM 311 C GLY E 100 36.337 14.685 47.284 1.00 45.51
ATOM 312 O GLY E 100 37.120 14.771 48.229 1.00 45.51
ATOM 313 N GLY E 101 35.882 15.787 46.687 1.00 45.51
ATOM 314 CA GLY E 101 36.314 17.127 47.086 1.00 45.51
ATOM 315 C GLY E 101 35.830 17.565 48.483 1.00 45.51
ATOM 316 O GLY E 101 34.658 17.387 48.812 1.00 45.51
ATOM 317 N GLY E 102 36.661 18.146 49.358 1.00 45.51
ATOM 318 CA GLY E 102 36.215 18.802 50.589 1.00 45.51
ATOM 319 C GLY E 102 35.396 20.070 50.347 1.00 45.51
ATOM 320 O GLY E 102 35.600 20.804 49.370 1.00 45.51
ATOM 321 N GLY E 103 34.421 20.311 51.240 1.00 45.51
ATOM 322 CA GLY E 103 33.684 21.573 51.208 1.00 45.51
ATOM 323 C GLY E 103 33.515 22.086 52.622 1.00 45.51
ATOM 324 O GLY E 103 33.540 21.317 53.591 1.00 45.51
ATOM 325 N GLY E 104 33.282 23.393 52.686 1.00 45.51
ATOM 326 CA GLY E 104 32.952 24.059 53.939 1.00 45.51
ATOM 327 C GLY E 104 31.867 25.063 53.674 1.00 45.51
ATOM 328 O GLY E 104 31.931 25.816 52.701 1.00 45.51
ATOM 329 N GLY E 105 30.851 25.077 54.528 1.00 45.51
ATOM 330 CA GLY E 105 29.772 26.049 54.379 1.00 45.51
ATOM 331 C GLY E 105 29.640 26.889 55.646 1.00 45.51
ATOM 332 O GLY E 105 29.507 26.319 56.719 1.00 45.51
ATOM 333 N GLY E 106 29.689 28.218 55.547 1.00 45.51
ATOM 334 CA GLY E 106 29.474 29.102 56.697 1.00 45.51
ATOM 335 C GLY E 106 28.033 29.568 56.807 1.00 45.51
ATOM 336 O GLY E 106 27.447 30.035 55.824 1.00 45.51
ATOM 337 N GLY E 107 27.413 29.467 57.995 1.00 45.51
ATOM 338 CA GLY E 107 26.014 29.786 58.166 1.00 45.51
ATOM 339 C GLY E 107 25.841 30.852 59.247 1.00 45.51
ATOM 340 O GLY E 107 26.514 30.805 60.295 1.00 45.51
ATOM 341 N GLY F 111 40.788 -8.794 48.156 1.00 45.51
ATOM 342 CA GLY F 111 40.376 -10.101 47.653 1.00 45.51
ATOM 343 C GLY F 111 39.900 -10.901 48.862 1.00 45.51
ATOM 344 O GLY F 111 40.184 -10.544 50.025 1.00 45.51
ATOM 345 N GLY F 112 39.172 -11.984 48.629 1.00 45.51
ATOM 346 CA GLY F 112 38.597 -12.753 49.728 1.00 45.51
ATOM 347 C GLY F 112 39.015 -14.196 49.644 1.00 45.51
ATOM 348 O GLY F 112 38.921 -14.816 48.577 1.00 45.51
ATOM 349 N GLY F 113 39.517 -14.760 50.750 1.00 45.51
ATOM 350 CA GLY F 113 39.759 -16.199 50.778 1.00 45.51
ATOM 351 C GLY F 113 38.734 -16.800 51.737 1.00 45.51
ATOM 352 O GLY F 113 38.220 -16.152 52.661 1.00 45.51
ATOM 353 N GLY F 114 38.378 -18.056 51.481 1.00 45.51
ATOM 354 CA GLY F 114 37.334 -18.714 52.242 1.00 45.51
ATOM 355 C GLY F 114 37.693 -20.151 52.586 1.00 45.51
ATOM 356 O GLY F 114 38.653 -20.720 52.078 1.00 45.51
ATOM 357 N GLY F 115 36.924 -20.732 53.503 1.00 45.51
ATOM 358 CA GLY F 115 37.157 -22.096 53.947 1.00 45.51
ATOM 359 C GLY F 115 36.228 -22.444 55.095 1.00 45.51
ATOM 360 O GLY F 115 35.289 -21.721 55.428 1.00 45.51
ATOM 361 N GLY F 116 36.542 -23.570 55.733 1.00 45.51
ATOM 362 CA GLY F 116 35.767 -24.113 56.846 1.00 45.51
ATOM 363 C GLY F 116 36.672 -24.454 58.037 1.00 45.51
ATOM 364 O GLY F 116 37.675 -25.156 57.900 1.00 45.51
ATOM 365 N GLY F 117 36.294 -23.965 59.230 1.00 45.51
ATOM 366 CA GLY F 117 37.006 -24.228 60.477 1.00 45.51
ATOM 367 C GLY F 117 37.011 -25.707 60.863 1.00 45.51
ATOM 368 O GLY F 117 36.247 -26.506 60.322 1.00 45.51
ATOM 369 N GLY F 118 37.846 -26.047 61.854 1.00 45.51
ATOM 370 CA GLY F 118 37.991 -27.409 62.357 1.00 45.51
ATOM 371 C GLY F 118 36.695 -28.125 62.731 1.00 45.51
ATOM 372 O GLY F 118 36.521 -29.322 62.483 1.00 45.51
ATOM 373 N GLY F 119 35.755 -27.381 63.313 1.00 45.51
ATOM 374 CA GLY F 119 34.494 -27.972 63.699 1.00 45.51
ATOM 375 C GLY F 119 33.286 -27.520 62.884 1.00 45.51
ATOM 376 O GLY F 119 32.161 -27.442 63.385 1.00 45.51
ATOM 377 N GLY F 120 33.534 -27.217 61.597 1.00 45.51
ATOM 378 CA GLY F 120 32.466 -26.988 60.630 1.00 45.51
ATOM 379 C GLY F 120 32.048 -25.573 60.262 1.00 45.51
ATOM 380 O GLY F 120 31.395 -25.426 59.229 1.00 45.51
ATOM 381 N GLY F 121 32.362 -24.517 61.013 1.00 45.51
ATOM 382 CA GLY F 121 31.921 -23.162 60.680 1.00 45.51
ATOM 383 C GLY F 121 32.567 -22.575 59.409 1.00 45.51
ATOM 384 O GLY F 121 33.780 -22.676 59.230 1.00 45.51
ATOM 385 N GLY F 122 31.834 -21.943 58.483 1.00 45.51
ATOM 386 CA GLY F 122 32.407 -21.156 57.390 1.00 45.51
ATOM 387 C GLY F 122 33.122 -19.888 57.856 1.00 45.51
ATOM 388 O GLY F 122 32.752 -19.259 58.857 1.00 45.51
ATOM 389 N GLY F 123 34.195 -19.525 57.132 1.00 45.51
ATOM 390 CA GLY F 123 34.857 -18.246 57.379 1.00 45.51
ATOM 391 C GLY F 123 35.189 -17.594 56.055 1.00 45.51
ATOM 392 O GLY F 123 35.333 -18.267 55.026 1.00 45.51
ATOM 393 N GLY F 124 35.363 -16.279 56.141 1.00 45.51
ATOM 394 CA GLY F 124 35.825 -15.484 55.012 1.00 45.51
ATOM 395 C GLY F 124 36.812 -14.471 55.514 1.00 45.51
ATOM 396 O GLY F 124 36.581 -13.817 56.532 1.00 45.51
ATOM 397 N GLY F 125 37.932 -14.337 54.813 1.00 45.51
ATOM 398 CA GLY F 125 38.932 -13.344 55.197 1.00 45.51
ATOM 399 C GLY F 125 39.191 -12.382 54.041 1.00 45.51
ATOM 400 O GLY F 125 39.496 -12.841 52.950 1.00 45.51
ATOM 401 N GLY F 126 39.063 -11.072 54.252 1.00 45.51
ATOM 402 CA GLY F 126 39.386 -10.074 53.227 1.00 45.51
ATOM 403 C GLY F 126 40.803 -9.546 53.360 1.00 45.51
ATOM 404 O GLY F 126 41.228 -9.155 54.453 1.00 45.51
ATOM 405 N GLY F 127 41.582 -9.510 52.266 1.00 45.51
ATOM 406 CA GLY F 127 42.974 -9.124 52.319 1.00 45.51
ATOM 407 C GLY F 127 43.237 -7.953 51.373 1.00 45.51
ATOM 408 O GLY F 127 42.715 -7.924 50.242 1.00 45.51
ATOM 409 N GLY G 131 75.299 -2.784 62.188 1.00 45.51
ATOM 410 CA GLY G 131 74.881 -1.484 62.702 1.00 45.51
ATOM 411 C GLY G 131 74.405 -0.675 61.499 1.00 45.51
ATOM 412 O GLY G 131 74.692 -1.020 60.334 1.00 45.51
ATOM 413 N GLY G 132 73.672 0.403 61.740 1.00 45.51
ATOM 414 CA GLY G 132 73.096 1.179 60.647 1.00 45.51
ATOM 415 C GLY G 132 73.508 2.624 60.745 1.00 45.51
ATOM 416 O GLY G 132 73.410 3.233 61.818 1.00 45.51
ATOM 417 N GLY G 133 74.011 3.200 59.645 1.00 45.51
ATOM 418 CA GLY G 133 74.247 4.640 59.631 1.00 45.51
ATOM 419 C GLY G 133 73.222 5.245 58.675 1.00 45.51
ATOM 420 O GLY G 133 72.712 4.604 57.744 1.00 45.51
ATOM 421 N GLY G 134 72.860 6.498 58.941 1.00 45.51
ATOM 422 CA GLY G 134 71.816 7.159 58.185 1.00 45.51
ATOM 423 C GLY G 134 72.169 8.600 57.854 1.00 45.51
ATOM 424 O GLY G 134 73.127 9.168 58.370 1.00 45.51
ATOM 425 N GLY G 135 71.400 9.186 56.941 1.00 45.51
ATOM 426 CA GLY G 135 71.628 10.555 56.510 1.00 45.51
ATOM 427 C GLY G 135 70.700 10.910 55.364 1.00 45.51
ATOM 428 O GLY G 135 69.765 10.186 55.022 1.00 45.51
ATOM 429 N GLY G 136 71.012 12.043 54.737 1.00 45.51
ATOM 430 CA GLY G 136 70.236 12.592 53.627 1.00 45.51
ATOM 431 C GLY G 136 71.143 12.947 52.441 1.00 45.51
ATOM 432 O GLY G 136 72.143 13.652 52.586 1.00 45.51
ATOM 433 N GLY G 137 70.769 12.468 51.243 1.00 45.51
ATOM 434 CA GLY G 137 71.482 12.745 50.000 1.00 45.51
ATOM 435 C GLY G 137 71.483 14.227 49.627 1.00 45.51
ATOM 436 O GLY G 137 70.714 15.018 50.174 1.00 45.51
ATOM 437 N GLY G 138 72.317 14.579 48.641 1.00 45.51
ATOM 438 CA GLY G 138 72.459 15.946 48.151 1.00 45.51
ATOM 439 C GLY G 138 71.160 16.661 47.781 1.00 45.51
ATOM 440 O GLY G 138 70.982 17.855 48.039 1.00 45.51
ATOM 441 N GLY G 139 70.225 15.918 47.190 1.00 45.51
ATOM 442 CA GLY G 139 68.962 16.508 46.808 1.00 45.51
ATOM 443 C GLY G 139 67.754 16.044 47.615 1.00 45.51
ATOM 444 O GLY G 139 66.630 15.967 47.112 1.00 45.51
ATOM 445 N GLY G 140 68.001 15.731 48.900 1.00 45.51
ATOM 446 CA GLY G 140 66.932 15.489 49.863 1.00 45.51
ATOM 447 C GLY G 140 66.519 14.069 50.218 1.00 45.51
ATOM 448 O GLY G 140 65.864 13.911 51.247 1.00 45.51
ATOM 449 N GLY G 141 66.839 13.021 49.457 1.00 45.51
ATOM 450 CA GLY G 141 66.402 11.661 49.777 1.00 45.51
ATOM 451 C GLY G 141 67.048 11.065 51.044 1.00 45.51
ATOM 452 O GLY G 141 68.260 11.170 51.226 1.00 45.51
ATOM 453 N GLY G 142 66.315 10.423 51.963 1.00 45.51
ATOM 454 CA GLY G 142 66.889 9.628 53.050 1.00 45.51
ATOM 455 C GLY G 142 67.610 8.367 52.574 1.00 45.51
ATOM 456 O GLY G 142 67.244 7.745 51.566 1.00 45.51
ATOM 457 N GLY G 143 68.683 8.002 53.297 1.00 45.51
ATOM 458 CA GLY G 143 69.350 6.727 53.039 1.00 45.51
ATOM 459 C GLY G 143 69.682 6.064 54.358 1.00 45.51
ATOM 460 O GLY G 143 69.821 6.729 55.393 1.00 45.51
ATOM 461 N GLY G 144 69.861 4.751 54.260 1.00 45.51
ATOM 462 CA GLY G 144 70.324 3.948 55.384 1.00 45.51
ATOM 463 C GLY G 144 71.316 2.943 54.874 1.00 45.51
ATOM 464 O GLY G 144 71.089 2.297 53.850 1.00 45.51
ATOM 465 N GLY G 145 72.435 2.806 55.576 1.00 45.51
ATOM 466 CA GLY G 145 73.439 1.821 55.184 1.00 45.51
ATOM 467 C GLY G 145 73.700 0.850 56.332 1.00 45.51
ATOM 468 O GLY G 145 74.000 1.301 57.428 1.00 45.51
ATOM 469 N GLY G 146 73.577 -0.459 56.109 1.00 45.51
ATOM 470 CA GLY G 146 73.902 -1.465 57.126 1.00 45.51
ATOM 471 C GLY G 146 75.321 -1.986 56.991 1.00 45.51
ATOM 472 O GLY G 146 75.749 -2.366 55.895 1.00 45.51
ATOM 473 N GLY G 147 76.098 -2.029 58.087 1.00 45.51
ATOM 474 CA GLY G 147 77.492 -2.410 58.032 1.00 45.51
ATOM 475 C GLY G 147 77.757 -3.587 58.968 1.00 45.51
ATOM 476 O GLY G 147 77.233 -3.628 60.098 1.00 45.51
ATOM 477 N GLY H 151 63.195 -41.496 48.742 1.00 45.51
ATOM 478 CA GLY H 151 63.714 -40.174 48.407 1.00 45.51
ATOM 479 C GLY H 151 64.044 -39.490 49.730 1.00 45.51
ATOM 480 O GLY H 151 63.591 -39.921 50.811 1.00 45.51
ATOM 481 N GLY H 152 64.831 -38.424 49.688 1.00 45.51
ATOM 482 CA GLY H 152 65.274 -37.768 50.914 1.00 45.51
ATOM 483 C GLY H 152 64.919 -36.305 50.891 1.00 45.51
ATOM 484 O GLY H 152 65.179 -35.611 49.900 1.00 45.51
ATOM 485 N GLY H 153 64.287 -35.805 51.961 1.00 45.51
ATOM 486 CA GLY H 153 64.090 -34.364 52.073 1.00 45.51
ATOM 487 C GLY H 153 64.991 -33.883 53.207 1.00 45.51
ATOM 488 O GLY H 153 65.351 -34.621 54.137 1.00 45.51
ATOM 489 N GLY H 154 65.420 -32.627 53.106 1.00 45.51
ATOM 490 CA GLY H 154 66.369 -32.075 54.052 1.00 45.51
ATOM 491 C GLY H 154 66.013 -30.654 54.460 1.00 45.51
ATOM 492 O GLY H 154 65.151 -30.007 53.874 1.00 45.51
ATOM 493 N GLY H 155 66.666 -30.179 55.517 1.00 45.51
ATOM 494 CA GLY H 155 66.418 -28.844 56.035 1.00 45.51
ATOM 495 C GLY H 155 67.190 -28.625 57.322 1.00 45.51
ATOM 496 O GLY H 155 68.050 -29.411 57.719 1.00 45.51
ATOM 497 N GLY H 156 66.827 -27.538 58.001 1.00 45.51
ATOM 498 CA GLY H 156 67.458 -27.116 59.249 1.00 45.51
ATOM 499 C GLY H 156 66.408 -26.828 60.330 1.00 45.51
ATOM 500 O GLY H 156 65.457 -26.075 60.117 1.00 45.51
ATOM 501 N GLY H 157 66.602 -27.422 61.520 1.00 45.51
ATOM 502 CA GLY H 157 65.733 -27.224 62.676 1.00 45.51
ATOM 503 C GLY H 157 65.722 -25.781 63.177 1.00 45.51
ATOM 504 O GLY H 157 66.580 -24.976 62.812 1.00 45.51
ATOM 505 N GLY H 158 64.770 -25.481 64.070 1.00 45.51
ATOM 506 CA GLY H 158 64.600 -24.156 64.658 1.00 45.51
ATOM 507 C GLY H 158 65.855 -23.527 65.261 1.00 45.51
ATOM 508 O GLY H 158 66.100 -22.324 65.137 1.00 45.51
ATOM 509 N GLY H 159 66.681 -24.354 65.902 1.00 45.51
ATOM 510 CA GLY H 159 67.895 -23.849 66.502 1.00 45.51
ATOM 511 C GLY H 159 69.189 -24.290 65.825 1.00 45.51
ATOM 512 O GLY H 159 70.231 -24.454 66.465 1.00 45.51
ATOM 513 N GLY H 160 69.112 -24.482 64.495 1.00 45.51
ATOM 514 CA GLY H 160 70.295 -24.683 63.666 1.00 45.51
ATOM 515 C GLY H 160 70.714 -26.083 63.244 1.00 45.51
ATOM 516 O GLY H 160 71.499 -26.178 62.301 1.00 45.51
ATOM 517 N GLY H 161 70.265 -27.178 63.858 1.00 45.51
ATOM 518 CA GLY H 161 70.704 -28.522 63.478 1.00 45.51
ATOM 519 C GLY H 161 70.221 -28.982 62.088 1.00 45.51
ATOM 520 O GLY H 161 69.048 -28.815 61.755 1.00 45.51
ATOM 521 N GLY H 162 71.055 -29.572 61.221 1.00 45.51
ATOM 522 CA GLY H 162 70.613 -30.248 60.001 1.00 45.51
ATOM 523 C GLY H 162 69.800 -31.516 60.260 1.00 45.51
ATOM 524 O GLY H 162 70.007 -32.235 61.248 1.00 45.51
ATOM 525 N GLY H 163 68.826 -31.775 59.371 1.00 45.51
ATOM 526 CA GLY H 163 68.095 -33.040 59.421 1.00 45.51
ATOM 527 C GLY H 163 67.928 -33.575 58.016 1.00 45.51
ATOM 528 O GLY H 163 67.951 -32.820 57.035 1.00 45.51
ATOM 529 N GLY H 164 67.702 -34.883 57.970 1.00 45.51
ATOM 530 CA GLY H 164 67.375 -35.569 56.728 1.00 45.51
ATOM 531 C GLY H 164 66.295 -36.574 57.007 1.00 45.51
ATOM 532 O GLY H 164 66.363 -37.313 57.991 1.00 45.51
ATOM 533 N GLY H 165 65.280 -36.606 56.153 1.00 45.51
ATOM 534 CA GLY H 165 64.205 -37.580 56.316 1.00 45.51
ATOM 535 C GLY H 165 64.077 -38.439 55.061 1.00 45.51
ATOM 536 O GLY H 165 63.942 -37.886 53.980 1.00 45.51
ATOM 537 N GLY H 166 64.132 -39.766 55.180 1.00 45.51
ATOM 538 CA GLY H 166 63.922 -40.669 54.043 1.00 45.51
ATOM 539 C GLY H 166 62.484 -41.142 53.940 1.00 45.51
ATOM 540 O GLY H 166 61.900 -41.598 54.930 1.00 45.51
ATOM 541 N GLY H 167 61.863 -41.062 52.750 1.00 45.51
ATOM 542 CA GLY H 167 60.465 -41.390 52.583 1.00 45.51
ATOM 543 C GLY H 167 60.298 -42.473 51.518 1.00 45.51
ATOM 544 O GLY H 167 60.971 -42.438 50.470 1.00 45.51
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