Sure! Here is the pdb (below). The first DA is the one that tleap insists
should be a terminal DA5, but is really a regular DA that will be connected
to the STE residue via a tleap bond.
HETATM 1 C1 STE X 1 -1.257 -9.974 -4.072 1.00 0.00
C
HETATM 2 O1 STE X 1 -1.046 -8.797 -3.274 1.00 0.00
O
HETATM 3 C2 STE X 1 -0.158 -11.051 -3.821 1.00 0.00
C
HETATM 4 C3 STE X 1 0.380 -11.646 -5.128 1.00 0.00
C
HETATM 5 C4 STE X 1 1.397 -12.781 -4.866 1.00 0.00
C
HETATM 6 C5 STE X 1 2.241 -13.121 -6.128 1.00 0.00
C
HETATM 7 C6 STE X 1 1.424 -13.810 -7.246 1.00 0.00
C
HETATM 8 C7 STE X 1 1.168 -15.310 -6.957 1.00 0.00
C
HETATM 9 C8 STE X 1 -0.025 -15.868 -7.768 1.00 0.00
C
HETATM 10 C9 STE X 1 0.342 -16.201 -9.234 1.00 0.00
C
HETATM 11 C10 STE X 1 0.983 -17.609 -9.364 1.00 0.00
C
HETATM 12 C11 STE X 1 0.120 -18.603 -10.199 1.00 0.00
C
HETATM 13 C12 STE X 1 0.693 -19.097 -11.557 1.00 0.00
C
HETATM 14 C13 STE X 1 1.774 -18.208 -12.215 1.00 0.00
C
HETATM 15 C14 STE X 1 2.171 -18.699 -13.624 1.00 0.00
C
HETATM 16 C15 STE X 1 3.637 -18.334 -13.948 1.00 0.00
C
HETATM 17 C16 STE X 1 4.045 -18.756 -15.374 1.00 0.00
C
HETATM 18 C17 STE X 1 5.579 -18.820 -15.539 1.00 0.00
C
HETATM 19 C18 STE X 1 5.986 -19.157 -16.986 1.00 0.00
C
HETATM 20 H22 STE X 1 -0.573 -11.851 -3.187 1.00 0.00
H
HETATM 21 H23 STE X 1 0.698 -10.633 -3.270 1.00 0.00
H
HETATM 22 H32 STE X 1 -0.448 -12.015 -5.746 1.00 0.00
H
HETATM 23 H33 STE X 1 0.885 -10.847 -5.686 1.00 0.00
H
HETATM 24 H42 STE X 1 0.864 -13.675 -4.494 1.00 0.00
H
HETATM 25 H43 STE X 1 2.102 -12.470 -4.075 1.00 0.00
H
HETATM 26 H52 STE X 1 3.091 -13.759 -5.838 1.00 0.00
H
HETATM 27 H53 STE X 1 2.663 -12.191 -6.539 1.00 0.00
H
HETATM 28 H62 STE X 1 0.467 -13.289 -7.379 1.00 0.00
H
HETATM 29 H63 STE X 1 1.964 -13.715 -8.193 1.00 0.00
H
HETATM 30 H72 STE X 1 0.952 -15.463 -5.893 1.00 0.00
H
HETATM 31 H73 STE X 1 2.076 -15.893 -7.171 1.00 0.00
H
HETATM 32 H82 STE X 1 -0.418 -16.773 -7.276 1.00 0.00
H
HETATM 33 H83 STE X 1 -0.852 -15.142 -7.754 1.00 0.00
H
HETATM 34 H92 STE X 1 1.028 -15.443 -9.631 1.00 0.00
H
HETATM 35 H93 STE X 1 -0.565 -16.124 -9.848 1.00 0.00
H
HETATM 36 H102 STE X 1 2.000 -17.494 -9.745 1.00 0.00
H
HETATM 37 H103 STE X 1 1.131 -18.045 -8.366 1.00 0.00
H
HETATM 38 H112 STE X 1 -0.074 -19.488 -9.578 1.00 0.00
H
HETATM 39 H113 STE X 1 -0.875 -18.179 -10.382 1.00 0.00
H
HETATM 40 H122 STE X 1 -0.145 -19.225 -12.256 1.00 0.00
H
HETATM 41 H123 STE X 1 1.117 -20.099 -11.408 1.00 0.00
H
HETATM 42 H132 STE X 1 1.438 -17.165 -12.270 1.00 0.00
H
HETATM 43 H133 STE X 1 2.674 -18.233 -11.589 1.00 0.00
H
HETATM 44 H142 STE X 1 2.062 -19.790 -13.680 1.00 0.00
H
HETATM 45 H143 STE X 1 1.490 -18.267 -14.370 1.00 0.00
H
HETATM 46 H152 STE X 1 4.290 -18.832 -13.220 1.00 0.00
H
HETATM 47 H153 STE X 1 3.792 -17.253 -13.826 1.00 0.00
H
HETATM 48 H162 STE X 1 3.618 -18.047 -16.095 1.00 0.00
H
HETATM 49 H163 STE X 1 3.623 -19.743 -15.603 1.00 0.00
H
HETATM 50 H172 STE X 1 6.029 -17.861 -15.248 1.00 0.00
H
HETATM 51 H173 STE X 1 5.987 -19.584 -14.864 1.00 0.00
H
HETATM 52 H181 STE X 1 7.076 -19.252 -17.066 1.00 0.00
H
HETATM 53 H182 STE X 1 5.659 -18.368 -17.674 1.00 0.00
H
HETATM 54 H183 STE X 1 5.536 -20.105 -17.307 1.00 0.00
H
HETATM 55 H1 STE X 1 -2.258 -10.392 -3.863 1.00 0.00
H
HETATM 56 H11 STE X 1 -1.214 -9.635 -5.111 1.00 0.00
H
ATOM 57 P DA 2 -1.160 -8.196 -2.372 1.00 0.00
P
ATOM 58 OP1 DA 2 -1.022 -9.644 -2.640 1.00 0.00
O
ATOM 59 OP2 DA 2 -2.265 -7.773 -1.482 1.00 0.00
O
ATOM 60 O5* DA 2 0.270 -7.725 -1.830 1.00 0.00
O
ATOM 61 C5* DA 2 1.364 -7.578 -2.770 1.00 0.00
C
ATOM 62 1H5* DA 2 1.101 -6.834 -3.523 1.00 0.00
H
ATOM 63 2H5* DA 2 1.560 -8.533 -3.257 1.00 0.00
H
ATOM 64 C4* DA 2 2.608 -7.128 -2.040 1.00 0.00
C
ATOM 65 H4* DA 2 3.472 -7.263 -2.690 1.00 0.00
H
ATOM 66 O4* DA 2 2.530 -5.682 -1.830 1.00 0.00
O
ATOM 67 C1* DA 2 2.252 -5.410 -0.470 1.00 0.00
C
ATOM 68 H1* DA 2 3.031 -4.826 0.019 1.00 0.00
H
ATOM 69 N9 DA 2 1.073 -4.504 -0.420 1.00 0.00
N
ATOM 70 C8 DA 2 -0.253 -4.833 -0.500 1.00 0.00
C
ATOM 71 H8 DA 2 -0.555 -5.868 -0.562 1.00 0.00
H
ATOM 72 N7 DA 2 -1.049 -3.808 -0.430 1.00 0.00
N
ATOM 73 C5 DA 2 -0.191 -2.733 -0.280 1.00 0.00
C
ATOM 74 C6 DA 2 -0.417 -1.347 -0.150 1.00 0.00
C
ATOM 75 N6 DA 2 -1.645 -0.802 -0.140 1.00 0.00
N
ATOM 76 1H6 DA 2 -1.749 0.197 -0.040 1.00 0.00
H
ATOM 77 2H6 DA 2 -2.463 -1.394 -0.230 1.00 0.00
H
ATOM 78 N1 DA 2 0.658 -0.554 -0.030 1.00 0.00
N
ATOM 79 C2 DA 2 1.868 -1.105 -0.040 1.00 0.00
C
ATOM 80 H2 DA 2 2.742 -0.479 0.061 1.00 0.00
H
ATOM 81 N3 DA 2 2.210 -2.370 -0.160 1.00 0.00
N
ATOM 82 C4 DA 2 1.112 -3.139 -0.280 1.00 0.00
C
ATOM 83 C3* DA 2 2.818 -7.701 -0.640 1.00 0.00
C
ATOM 84 H3* DA 2 2.416 -8.708 -0.526 1.00 0.00
H
ATOM 85 C2* DA 2 2.035 -6.740 0.240 1.00 0.00
C
ATOM 86 1H2* DA 2 1.207 -7.270 0.710 1.00 0.00
H
ATOM 87 2H2* DA 2 2.691 -6.335 1.010 1.00 0.00
H
ATOM 88 O3* DA 2 4.189 -7.682 -0.250 1.00 0.00
O
ATOM 89 P DA 3 4.562 -7.653 1.300 1.00 0.00
P
ATOM 90 O1P DA 3 5.836 -8.366 1.520 1.00 0.00
O
ATOM 91 O2P DA 3 3.404 -8.137 2.090 1.00 0.00
O
ATOM 92 O5* DA 3 4.759 -6.091 1.550 1.00 0.00
O
ATOM 93 C5* DA 3 5.558 -5.330 0.610 1.00 0.00
C
ATOM 94 1H5* DA 3 4.909 -4.884 -0.144 1.00 0.00
H
ATOM 95 2H5* DA 3 6.279 -5.988 0.125 1.00 0.00
H
ATOM 96 C4* DA 3 6.300 -4.233 1.340 1.00 0.00
C
ATOM 97 H4* DA 3 7.079 -3.834 0.691 1.00 0.00
H
ATOM 98 O4* DA 3 5.387 -3.110 1.550 1.00 0.00
O
ATOM 99 C1* DA 3 5.002 -3.053 2.910 1.00 0.00
C
ATOM 100 H1* DA 3 5.289 -2.122 3.399 1.00 0.00
H
ATOM 101 N9 DA 3 3.515 -3.013 2.960 1.00 0.00
N
ATOM 102 C8 DA 3 2.636 -4.059 2.880 1.00 0.00
C
ATOM 103 H8 DA 3 3.000 -5.074 2.818 1.00 0.00
H
ATOM 104 N7 DA 3 1.390 -3.697 2.950 1.00 0.00
N
ATOM 105 C5 DA 3 1.452 -2.324 3.100 1.00 0.00
C
ATOM 106 C6 DA 3 0.454 -1.335 3.230 1.00 0.00
C
ATOM 107 N6 DA 3 -0.859 -1.616 3.240 1.00 0.00
N
ATOM 108 1H6 DA 3 -1.531 -0.869 3.340 1.00 0.00
H
ATOM 109 2H6 DA 3 -1.173 -2.575 3.150 1.00 0.00
H
ATOM 110 N1 DA 3 0.858 -0.061 3.350 1.00 0.00
N
ATOM 111 C2 DA 3 2.160 0.204 3.340 1.00 0.00
C
ATOM 112 H2 DA 3 2.499 1.224 3.441 1.00 0.00
H
ATOM 113 N3 DA 3 3.180 -0.618 3.220 1.00 0.00
N
ATOM 114 C4 DA 3 2.744 -1.886 3.100 1.00 0.00
C
ATOM 115 C3* DA 3 6.806 -4.574 2.740 1.00 0.00
C
ATOM 116 H3* DA 3 7.072 -5.625 2.854 1.00 0.00
H
ATOM 117 C2* DA 3 5.608 -4.256 3.620 1.00 0.00
C
ATOM 118 1H2* DA 3 5.249 -5.171 4.090 1.00 0.00
H
ATOM 119 2H2* DA 3 5.902 -3.543 4.391 1.00 0.00
H
ATOM 120 O3* DA 3 7.904 -3.753 3.130 1.00 0.00
O
ATOM 121 P DA 4 8.189 -3.510 4.680 1.00 0.00
P
ATOM 122 O1P DA 4 9.638 -3.338 4.900 1.00 0.00
O
ATOM 123 O2P DA 4 7.536 -4.582 5.470 1.00 0.00
O
ATOM 124 O5* DA 4 7.431 -2.131 4.930 1.00 0.00
O
ATOM 125 C5* DA 4 7.629 -1.045 3.990 1.00 0.00
C
ATOM 126 1H5* DA 4 6.841 -1.065 3.237 1.00 0.00
H
ATOM 127 2H5* DA 4 8.599 -1.154 3.504 1.00 0.00
H
ATOM 128 C4* DA 4 7.585 0.278 4.720 1.00 0.00
C
ATOM 129 H4* DA 4 7.981 1.059 4.070 1.00 0.00
H
ATOM 130 O4* DA 4 6.186 0.650 4.930 1.00 0.00
O
ATOM 131 C1* DA 4 5.841 0.470 6.290 1.00 0.00
C
ATOM 132 H1* DA 4 5.526 1.392 6.779 1.00 0.00
H
ATOM 133 N9 DA 4 4.615 -0.371 6.340 1.00 0.00
N
ATOM 134 C8 DA 4 4.519 -1.735 6.260 1.00 0.00
C
ATOM 135 H8 DA 4 5.410 -2.343 6.198 1.00 0.00
H
ATOM 136 N7 DA 4 3.298 -2.174 6.330 1.00 0.00
N
ATOM 137 C5 DA 4 2.540 -1.026 6.480 1.00 0.00
C
ATOM 138 C6 DA 4 1.152 -0.813 6.610 1.00 0.00
C
ATOM 139 N6 DA 4 0.255 -1.812 6.620 1.00 0.00
N
ATOM 140 1H6 DA 4 -0.728 -1.603 6.720 1.00 0.00
H
ATOM 141 2H6 DA 4 0.565 -2.773 6.530 1.00 0.00
H
ATOM 142 N1 DA 4 0.730 0.454 6.730 1.00 0.00
N
ATOM 143 C2 DA 4 1.628 1.435 6.720 1.00 0.00
C
ATOM 144 H2 DA 4 1.303 2.460 6.821 1.00 0.00
H
ATOM 145 N3 DA 4 2.936 1.369 6.600 1.00 0.00
N
ATOM 146 C4 DA 4 3.329 0.087 6.480 1.00 0.00
C
ATOM 147 C3* DA 4 8.194 0.300 6.120 1.00 0.00
C
ATOM 148 H3* DA 4 9.027 -0.394 6.233 1.00 0.00
H
ATOM 149 C2* DA 4 7.038 -0.147 7.000 1.00 0.00
C
ATOM 150 1H2* DA 4 7.286 -1.098 7.471 1.00 0.00
H
ATOM 151 2H2* DA 4 6.856 0.603 7.770 1.00 0.00
H
ATOM 152 O3* DA 4 8.601 1.610 6.510 1.00 0.00
O
ATOM 153 P DA 5 8.689 1.974 8.060 1.00 0.00
P
ATOM 154 O1P DA 5 9.759 2.965 8.280 1.00 0.00
O
ATOM 155 O2P DA 5 8.790 0.723 8.850 1.00 0.00
O
ATOM 156 O5* DA 5 7.264 2.644 8.310 1.00 0.00
O
ATOM 157 C5* DA 5 6.786 3.639 7.370 1.00 0.00
C
ATOM 158 1H5* DA 5 6.160 3.159 6.617 1.00 0.00
H
ATOM 159 2H5* DA 5 7.634 4.121 6.883 1.00 0.00
H
ATOM 160 C4* DA 5 5.973 4.683 8.100 1.00 0.00
C
ATOM 161 H4* DA 5 5.835 5.547 7.450 1.00 0.00
H
ATOM 162 O4* DA 5 4.622 4.162 8.310 1.00 0.00
O
ATOM 163 C1* DA 5 4.449 3.814 9.670 1.00 0.00
C
ATOM 164 H1* DA 5 3.652 4.374 10.159 1.00 0.00
H
ATOM 165 N9 DA 5 3.952 2.412 9.720 1.00 0.00
N
ATOM 166 C8 DA 5 4.675 1.253 9.640 1.00 0.00
C
ATOM 167 H8 DA 5 5.753 1.286 9.578 1.00 0.00
H
ATOM 168 N7 DA 5 3.946 0.179 9.710 1.00 0.00
N
ATOM 169 C5 DA 5 2.659 0.663 9.860 1.00 0.00
C
ATOM 170 C6 DA 5 1.410 0.020 9.990 1.00 0.00
C
ATOM 171 N6 DA 5 1.271 -1.316 10.000 1.00 0.00
N
ATOM 172 1H6 DA 5 0.353 -1.724 10.100 1.00 0.00
H
ATOM 173 2H6 DA 5 2.087 -1.912 9.910 1.00 0.00
H
ATOM 174 N1 DA 5 0.324 0.797 10.110 1.00 0.00
N
ATOM 175 C2 DA 5 0.473 2.118 10.100 1.00 0.00
C
ATOM 176 H2 DA 5 -0.392 2.756 10.201 1.00 0.00
H
ATOM 177 N3 DA 5 1.571 2.834 9.980 1.00 0.00
N
ATOM 178 C4 DA 5 2.642 2.027 9.860 1.00 0.00
C
ATOM 179 C3* DA 5 6.453 5.060 9.500 1.00 0.00
C
ATOM 180 H3* DA 5 7.535 4.988 9.613 1.00 0.00
H
ATOM 181 C2* DA 5 5.781 4.018 10.380 1.00 0.00
C
ATOM 182 1H2* DA 5 6.541 3.394 10.851 1.00 0.00
H
ATOM 183 2H2* DA 5 5.193 4.517 11.150 1.00 0.00
H
ATOM 184 O3* DA 5 6.012 6.358 9.890 1.00 0.00
O
ATOM 185 P DA 6 5.869 6.704 11.440 1.00 0.00
P
ATOM 186 O1P DA 6 6.153 8.135 11.660 1.00 0.00
O
ATOM 187 O2P DA 6 6.687 5.752 12.230 1.00 0.00
O
ATOM 188 O5* DA 6 4.323 6.408 11.690 1.00 0.00
O
ATOM 189 C5* DA 6 3.351 6.932 10.750 1.00 0.00
C
ATOM 190 1H5* DA 6 3.126 6.177 9.997 1.00 0.00
H
ATOM 191 2H5* DA 6 3.755 7.820 10.264 1.00 0.00
H
ATOM 192 C4* DA 6 2.079 7.300 11.480 1.00 0.00
C
ATOM 193 H4* DA 6 1.459 7.917 10.830 1.00 0.00
H
ATOM 194 O4* DA 6 1.293 6.084 11.690 1.00 0.00
O
ATOM 195 C1* DA 6 1.358 5.700 13.050 1.00 0.00
C
ATOM 196 H1* DA 6 0.384 5.686 13.539 1.00 0.00
H
ATOM 197 N9 DA 6 1.779 4.274 13.100 1.00 0.00
N
ATOM 198 C8 DA 6 3.046 3.761 13.020 1.00 0.00
C
ATOM 199 H8 DA 6 3.899 4.421 12.958 1.00 0.00
H
ATOM 200 N7 DA 6 3.087 2.464 13.090 1.00 0.00
N
ATOM 201 C5 DA 6 1.761 2.099 13.240 1.00 0.00
C
ATOM 202 C6 DA 6 1.129 0.845 13.370 1.00 0.00
C
ATOM 203 N6 DA 6 1.802 -0.318 13.380 1.00 0.00
N
ATOM 204 1H6 DA 6 1.299 -1.187 13.480 1.00 0.00
H
ATOM 205 2H6 DA 6 2.812 -0.320 13.290 1.00 0.00
H
ATOM 206 N1 DA 6 -0.207 0.835 13.490 1.00 0.00
N
ATOM 207 C2 DA 6 -0.862 1.992 13.480 1.00 0.00
C
ATOM 208 H2 DA 6 -1.937 1.999 13.581 1.00 0.00
H
ATOM 209 N3 DA 6 -0.395 3.216 13.360 1.00 0.00
N
ATOM 210 C4 DA 6 0.946 3.193 13.240 1.00 0.00
C
ATOM 211 C3* DA 6 2.246 7.886 12.880 1.00 0.00
C
ATOM 212 H3* DA 6 3.163 8.464 12.993 1.00 0.00
H
ATOM 213 C2* DA 6 2.315 6.648 13.760 1.00 0.00
C
ATOM 214 1H2* DA 6 3.296 6.591 14.231 1.00 0.00
H
ATOM 215 2H2* DA 6 1.546 6.706 14.530 1.00 0.00
H
ATOM 216 O3* DA 6 1.127 8.677 13.270 1.00 0.00
O
ATOM 217 P DA 7 0.808 8.873 14.820 1.00 0.00
P
ATOM 218 O1P DA 7 0.196 10.198 15.040 1.00 0.00
O
ATOM 219 O2P DA 7 2.029 8.583 15.610 1.00 0.00
O
ATOM 220 O5* DA 7 -0.270 7.725 15.070 1.00 0.00
O
ATOM 221 C5* DA 7 -1.364 7.578 14.130 1.00 0.00
C
ATOM 222 1H5* DA 7 -1.101 6.834 13.377 1.00 0.00
H
ATOM 223 2H5* DA 7 -1.560 8.533 13.643 1.00 0.00
H
ATOM 224 C4* DA 7 -2.608 7.128 14.860 1.00 0.00
C
ATOM 225 H4* DA 7 -3.472 7.263 14.210 1.00 0.00
H
ATOM 226 O4* DA 7 -2.530 5.682 15.070 1.00 0.00
O
ATOM 227 C1* DA 7 -2.252 5.410 16.430 1.00 0.00
C
ATOM 228 H1* DA 7 -3.031 4.826 16.919 1.00 0.00
H
ATOM 229 N9 DA 7 -1.073 4.504 16.480 1.00 0.00
N
ATOM 230 C8 DA 7 0.253 4.833 16.400 1.00 0.00
C
ATOM 231 H8 DA 7 0.555 5.868 16.338 1.00 0.00
H
ATOM 232 N7 DA 7 1.049 3.808 16.470 1.00 0.00
N
ATOM 233 C5 DA 7 0.191 2.733 16.620 1.00 0.00
C
ATOM 234 C6 DA 7 0.417 1.347 16.750 1.00 0.00
C
ATOM 235 N6 DA 7 1.645 0.802 16.760 1.00 0.00
N
ATOM 236 1H6 DA 7 1.749 -0.197 16.860 1.00 0.00
H
ATOM 237 2H6 DA 7 2.463 1.394 16.670 1.00 0.00
H
ATOM 238 N1 DA 7 -0.658 0.554 16.870 1.00 0.00
N
ATOM 239 C2 DA 7 -1.868 1.105 16.860 1.00 0.00
C
ATOM 240 H2 DA 7 -2.742 0.479 16.961 1.00 0.00
H
ATOM 241 N3 DA 7 -2.210 2.370 16.740 1.00 0.00
N
ATOM 242 C4 DA 7 -1.112 3.139 16.620 1.00 0.00
C
ATOM 243 C3* DA 7 -2.818 7.701 16.260 1.00 0.00
C
ATOM 244 H3* DA 7 -2.416 8.708 16.374 1.00 0.00
H
ATOM 245 C2* DA 7 -2.035 6.740 17.140 1.00 0.00
C
ATOM 246 1H2* DA 7 -1.207 7.270 17.610 1.00 0.00
H
ATOM 247 2H2* DA 7 -2.691 6.335 17.910 1.00 0.00
H
ATOM 248 O3* DA 7 -4.189 7.682 16.650 1.00 0.00
O
ATOM 249 P DA 8 -4.562 7.653 18.200 1.00 0.00
P
ATOM 250 O1P DA 8 -5.836 8.366 18.420 1.00 0.00
O
ATOM 251 O2P DA 8 -3.404 8.137 18.990 1.00 0.00
O
ATOM 252 O5* DA 8 -4.759 6.091 18.450 1.00 0.00
O
ATOM 253 C5* DA 8 -5.558 5.330 17.510 1.00 0.00
C
ATOM 254 1H5* DA 8 -4.909 4.884 16.756 1.00 0.00
H
ATOM 255 2H5* DA 8 -6.279 5.988 17.025 1.00 0.00
H
ATOM 256 C4* DA 8 -6.300 4.233 18.240 1.00 0.00
C
ATOM 257 H4* DA 8 -7.079 3.834 17.591 1.00 0.00
H
ATOM 258 O4* DA 8 -5.387 3.110 18.450 1.00 0.00
O
ATOM 259 C1* DA 8 -5.002 3.053 19.810 1.00 0.00
C
ATOM 260 H1* DA 8 -5.289 2.122 20.299 1.00 0.00
H
ATOM 261 N9 DA 8 -3.515 3.013 19.860 1.00 0.00
N
ATOM 262 C8 DA 8 -2.636 4.059 19.780 1.00 0.00
C
ATOM 263 H8 DA 8 -3.000 5.074 19.718 1.00 0.00
H
ATOM 264 N7 DA 8 -1.390 3.697 19.850 1.00 0.00
N
ATOM 265 C5 DA 8 -1.452 2.324 20.000 1.00 0.00
C
ATOM 266 C6 DA 8 -0.454 1.335 20.130 1.00 0.00
C
ATOM 267 N6 DA 8 0.859 1.616 20.140 1.00 0.00
N
ATOM 268 1H6 DA 8 1.531 0.869 20.240 1.00 0.00
H
ATOM 269 2H6 DA 8 1.173 2.575 20.050 1.00 0.00
H
ATOM 270 N1 DA 8 -0.858 0.061 20.250 1.00 0.00
N
ATOM 271 C2 DA 8 -2.160 -0.204 20.240 1.00 0.00
C
ATOM 272 H2 DA 8 -2.499 -1.224 20.341 1.00 0.00
H
ATOM 273 N3 DA 8 -3.180 0.618 20.120 1.00 0.00
N
ATOM 274 C4 DA 8 -2.744 1.886 20.000 1.00 0.00
C
ATOM 275 C3* DA 8 -6.806 4.574 19.640 1.00 0.00
C
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ATOM 548 N1 DT 17 -3.515 -3.013 13.940 1.00 0.00
N
ATOM 549 C6 DT 17 -2.780 -4.168 14.040 1.00 0.00
C
ATOM 550 H6 DT 17 -3.276 -5.123 14.129 1.00 0.00
H
ATOM 551 C5 DT 17 -1.433 -4.139 13.990 1.00 0.00
C
ATOM 552 C7 DT 17 -0.583 -5.368 14.100 1.00 0.00
C
ATOM 553 1H7 DT 17 -0.830 -6.055 13.290 1.00 0.00
H
ATOM 554 2H7 DT 17 0.469 -5.090 14.032 1.00 0.00
H
ATOM 555 3H7 DT 17 -0.769 -5.854 15.058 1.00 0.00
H
ATOM 556 C4 DT 17 -0.726 -2.890 13.840 1.00 0.00
C
ATOM 557 O4 DT 17 0.504 -2.775 13.790 1.00 0.00
O
ATOM 558 N3 DT 17 -1.542 -1.787 13.750 1.00 0.00
N
ATOM 559 H3 DT 17 -1.138 -0.867 13.640 1.00 0.00
H
ATOM 560 C2 DT 17 -2.922 -1.777 13.790 1.00 0.00
C
ATOM 561 O2 DT 17 -3.563 -0.744 13.700 1.00 0.00
O
ATOM 562 C3* DT 17 -6.806 -4.574 14.160 1.00 0.00
C
ATOM 563 H3* DT 17 -7.072 -5.625 14.046 1.00 0.00
H
ATOM 564 C2* DT 17 -5.608 -4.256 13.280 1.00 0.00
C
ATOM 565 1H2* DT 17 -5.249 -5.171 12.810 1.00 0.00
H
ATOM 566 2H2* DT 17 -5.902 -3.543 12.509 1.00 0.00
H
ATOM 567 O3* DT 17 -7.904 -3.753 13.770 1.00 0.00
O
ATOM 568 P DT 18 -8.189 -3.510 12.220 1.00 0.00
P
ATOM 569 O1P DT 18 -9.638 -3.338 12.000 1.00 0.00
O
ATOM 570 O2P DT 18 -7.536 -4.582 11.430 1.00 0.00
O
ATOM 571 O5* DT 18 -7.431 -2.131 11.970 1.00 0.00
O
ATOM 572 C5* DT 18 -7.629 -1.045 12.910 1.00 0.00
C
ATOM 573 1H5* DT 18 -6.841 -1.065 13.663 1.00 0.00
H
ATOM 574 2H5* DT 18 -8.599 -1.154 13.396 1.00 0.00
H
ATOM 575 C4* DT 18 -7.585 0.278 12.180 1.00 0.00
C
ATOM 576 H4* DT 18 -7.981 1.059 12.830 1.00 0.00
H
ATOM 577 O4* DT 18 -6.186 0.650 11.970 1.00 0.00
O
ATOM 578 C1* DT 18 -5.841 0.470 10.610 1.00 0.00
C
ATOM 579 H1* DT 18 -5.521 1.398 10.137 1.00 0.00
H
ATOM 580 N1 DT 18 -4.615 -0.371 10.560 1.00 0.00
N
ATOM 581 C6 DT 18 -4.699 -1.738 10.660 1.00 0.00
C
ATOM 582 H6 DT 18 -5.661 -2.220 10.749 1.00 0.00
H
ATOM 583 C5 DT 18 -3.592 -2.506 10.610 1.00 0.00
C
ATOM 584 C7 DT 18 -3.627 -4.000 10.720 1.00 0.00
C
ATOM 585 1H7 DT 18 -4.231 -4.410 9.910 1.00 0.00
H
ATOM 586 2H7 DT 18 -2.613 -4.394 10.652 1.00 0.00
H
ATOM 587 3H7 DT 18 -4.063 -4.284 11.678 1.00 0.00
H
ATOM 588 C4 DT 18 -2.286 -1.912 10.460 1.00 0.00
C
ATOM 589 O4 DT 18 -1.223 -2.541 10.410 1.00 0.00
O
ATOM 590 N3 DT 18 -2.298 -0.539 10.370 1.00 0.00
N
ATOM 591 H3 DT 18 -1.430 -0.032 10.260 1.00 0.00
H
ATOM 592 C2 DT 18 -3.408 0.280 10.410 1.00 0.00
C
ATOM 593 O2 DT 18 -3.320 1.492 10.320 1.00 0.00
O
ATOM 594 C3* DT 18 -8.194 0.300 10.780 1.00 0.00
C
ATOM 595 H3* DT 18 -9.027 -0.394 10.667 1.00 0.00
H
ATOM 596 C2* DT 18 -7.038 -0.147 9.900 1.00 0.00
C
ATOM 597 1H2* DT 18 -7.286 -1.098 9.429 1.00 0.00
H
ATOM 598 2H2* DT 18 -6.856 0.603 9.130 1.00 0.00
H
ATOM 599 O3* DT 18 -8.601 1.610 10.390 1.00 0.00
O
ATOM 600 P DT 19 -8.689 1.974 8.840 1.00 0.00
P
ATOM 601 O1P DT 19 -9.759 2.965 8.620 1.00 0.00
O
ATOM 602 O2P DT 19 -8.790 0.723 8.050 1.00 0.00
O
ATOM 603 O5* DT 19 -7.264 2.644 8.590 1.00 0.00
O
ATOM 604 C5* DT 19 -6.786 3.639 9.530 1.00 0.00
C
ATOM 605 1H5* DT 19 -6.160 3.159 10.283 1.00 0.00
H
ATOM 606 2H5* DT 19 -7.634 4.121 10.017 1.00 0.00
H
ATOM 607 C4* DT 19 -5.973 4.683 8.800 1.00 0.00
C
ATOM 608 H4* DT 19 -5.835 5.547 9.450 1.00 0.00
H
ATOM 609 O4* DT 19 -4.622 4.162 8.590 1.00 0.00
O
ATOM 610 C1* DT 19 -4.449 3.814 7.230 1.00 0.00
C
ATOM 611 H1* DT 19 -3.644 4.377 6.757 1.00 0.00
H
ATOM 612 N1 DT 19 -3.952 2.412 7.180 1.00 0.00
N
ATOM 613 C6 DT 19 -4.823 1.356 7.280 1.00 0.00
C
ATOM 614 H6 DT 19 -5.885 1.532 7.369 1.00 0.00
H
ATOM 615 C5 DT 19 -4.379 0.084 7.230 1.00 0.00
C
ATOM 616 C7 DT 19 -5.286 -1.104 7.340 1.00 0.00
C
ATOM 617 1H7 DT 19 -6.015 -1.081 6.530 1.00 0.00
H
ATOM 618 2H7 DT 19 -4.697 -2.019 7.272 1.00 0.00
H
ATOM 619 3H7 DT 19 -5.806 -1.077 8.298 1.00 0.00
H
ATOM 620 C4 DT 19 -2.973 -0.203 7.080 1.00 0.00
C
ATOM 621 O4 DT 19 -2.483 -1.337 7.030 1.00 0.00
O
ATOM 622 N3 DT 19 -2.176 0.915 6.990 1.00 0.00
N
ATOM 623 H3 DT 19 -1.176 0.814 6.880 1.00 0.00
H
ATOM 624 C2 DT 19 -2.593 2.230 7.030 1.00 0.00
C
ATOM 625 O2 DT 19 -1.809 3.159 6.940 1.00 0.00
O
ATOM 626 C3* DT 19 -6.453 5.060 7.400 1.00 0.00
C
ATOM 627 H3* DT 19 -7.535 4.988 7.287 1.00 0.00
H
ATOM 628 C2* DT 19 -5.781 4.018 6.520 1.00 0.00
C
ATOM 629 1H2* DT 19 -6.541 3.394 6.049 1.00 0.00
H
ATOM 630 2H2* DT 19 -5.193 4.517 5.750 1.00 0.00
H
ATOM 631 O3* DT 19 -6.012 6.358 7.010 1.00 0.00
O
ATOM 632 P DT 20 -5.869 6.704 5.460 1.00 0.00
P
ATOM 633 O1P DT 20 -6.153 8.135 5.240 1.00 0.00
O
ATOM 634 O2P DT 20 -6.687 5.752 4.670 1.00 0.00
O
ATOM 635 O5* DT 20 -4.323 6.408 5.210 1.00 0.00
O
ATOM 636 C5* DT 20 -3.351 6.932 6.150 1.00 0.00
C
ATOM 637 1H5* DT 20 -3.126 6.177 6.903 1.00 0.00
H
ATOM 638 2H5* DT 20 -3.755 7.820 6.636 1.00 0.00
H
ATOM 639 C4* DT 20 -2.079 7.300 5.420 1.00 0.00
C
ATOM 640 H4* DT 20 -1.459 7.917 6.070 1.00 0.00
H
ATOM 641 O4* DT 20 -1.293 6.084 5.210 1.00 0.00
O
ATOM 642 C1* DT 20 -1.358 5.700 3.850 1.00 0.00
C
ATOM 643 H1* DT 20 -0.376 5.683 3.377 1.00 0.00
H
ATOM 644 N1 DT 20 -1.779 4.274 3.800 1.00 0.00
N
ATOM 645 C6 DT 20 -3.105 3.932 3.900 1.00 0.00
C
ATOM 646 H6 DT 20 -3.861 4.698 3.989 1.00 0.00
H
ATOM 647 C5 DT 20 -3.493 2.642 3.850 1.00 0.00
C
ATOM 648 C7 DT 20 -4.925 2.214 3.960 1.00 0.00
C
ATOM 649 1H7 DT 20 -5.502 2.661 3.150 1.00 0.00
H
ATOM 650 2H7 DT 20 -4.986 1.128 3.892 1.00 0.00
H
ATOM 651 3H7 DT 20 -5.330 2.541 4.918 1.00 0.00
H
ATOM 652 C4 DT 20 -2.524 1.584 3.700 1.00 0.00
C
ATOM 653 O4 DT 20 -2.795 0.378 3.650 1.00 0.00
O
ATOM 654 N3 DT 20 -1.223 2.019 3.610 1.00 0.00
N
ATOM 655 H3 DT 20 -0.473 1.350 3.500 1.00 0.00
H
ATOM 656 C2 DT 20 -0.787 3.328 3.650 1.00 0.00
C
ATOM 657 O2 DT 20 0.393 3.619 3.560 1.00 0.00
O
ATOM 658 C3* DT 20 -2.246 7.886 4.020 1.00 0.00
C
ATOM 659 H3* DT 20 -3.163 8.464 3.907 1.00 0.00
H
ATOM 660 C2* DT 20 -2.315 6.648 3.140 1.00 0.00
C
ATOM 661 1H2* DT 20 -3.296 6.591 2.669 1.00 0.00
H
ATOM 662 2H2* DT 20 -1.546 6.706 2.370 1.00 0.00
H
ATOM 663 O3* DT 20 -1.127 8.677 3.630 1.00 0.00
O
HETATM 664 P DT3 21 -0.808 8.873 2.080 1.00 0.00
P
HETATM 665 O1P DT3 21 -0.196 10.198 1.860 1.00 0.00
O
HETATM 666 O2P DT3 21 -2.029 8.583 1.290 1.00 0.00
O
HETATM 667 O5* DT3 21 0.270 7.725 1.830 1.00 0.00
O
HETATM 668 C5* DT3 21 1.364 7.578 2.770 1.00 0.00
C
HETATM 669 1H5* DT3 21 1.101 6.834 3.523 1.00 0.00
H
HETATM 670 2H5* DT3 21 1.560 8.533 3.257 1.00 0.00
H
HETATM 671 C4* DT3 21 2.608 7.128 2.040 1.00 0.00
C
HETATM 672 H4* DT3 21 3.472 7.263 2.690 1.00 0.00
H
HETATM 673 O4* DT3 21 2.530 5.682 1.830 1.00 0.00
O
HETATM 674 C1* DT3 21 2.252 5.410 0.470 1.00 0.00
C
HETATM 675 H1* DT3 21 3.036 4.819 -0.004 1.00 0.00
H
HETATM 676 N1 DT3 21 1.073 4.504 0.420 1.00 0.00
N
HETATM 677 C6 DT3 21 -0.201 5.006 0.520 1.00 0.00
C
HETATM 678 H6 DT3 21 -0.362 6.070 0.609 1.00 0.00
H
HETATM 679 C5 DT3 21 -1.273 4.191 0.470 1.00 0.00
C
HETATM 680 C7 DT3 21 -2.684 4.686 0.580 1.00 0.00
C
HETATM 681 1H7 DT3 21 -2.888 5.387 -0.230 1.00 0.00
H
HETATM 682 2H7 DT3 21 -3.372 3.843 0.512 1.00 0.00
H
HETATM 683 3H7 DT3 21 -2.820 5.189 1.538 1.00 0.00
H
HETATM 684 C4 DT3 21 -1.112 2.765 0.320 1.00 0.00
C
HETATM 685 O4 DT3 21 -2.039 1.948 0.270 1.00 0.00
O
HETATM 686 N3 DT3 21 0.197 2.352 0.230 1.00 0.00
N
HETATM 687 H3 DT3 21 0.411 1.370 0.120 1.00 0.00
H
HETATM 688 C2 DT3 21 1.320 3.155 0.270 1.00 0.00
C
HETATM 689 O2 DT3 21 2.445 2.697 0.180 1.00 0.00
O
HETATM 690 C3* DT3 21 2.818 7.701 0.640 1.00 0.00
C
HETATM 691 H3* DT3 21 2.416 8.708 0.526 1.00 0.00
H
HETATM 692 C2* DT3 21 2.035 6.740 -0.240 1.00 0.00
C
HETATM 693 1H2* DT3 21 1.207 7.270 -0.710 1.00 0.00
H
HETATM 694 2H2* DT3 21 2.691 6.335 -1.010 1.00 0.00
H
HETATM 695 O3* DT3 21 4.189 7.682 0.250 1.00 0.00
O
HETATM 696 H3T DT3 21 4.562 7.653 -1.300 1.00 0.00
H
CONECT 1 2 3 55 56
CONECT 11 10 12 36 37
CONECT 12 11 13 38 39
CONECT 13 12 14 40 41
CONECT 14 13 15 42 43
CONECT 15 14 16 44 45
CONECT 16 15 17 46 47
CONECT 17 16 18 48 49
CONECT 18 17 19 50 51
CONECT 19 18 52 53 54
CONECT 3 1 4 20 21
CONECT 4 3 5 22 23
CONECT 5 4 6 24 25
CONECT 6 5 7 26 27
CONECT 7 6 8 28 29
CONECT 8 7 9 30 31
CONECT 9 8 10 32 33
CONECT 10 9 11 34 35
CONECT 55 1
CONECT 36 11
CONECT 37 11
CONECT 56 1
CONECT 38 12
CONECT 39 12
CONECT 40 13
CONECT 41 13
CONECT 42 14
CONECT 43 14
CONECT 44 15
CONECT 45 15
CONECT 46 16
CONECT 47 16
CONECT 48 17
CONECT 49 17
CONECT 50 18
CONECT 51 18
CONECT 52 19
CONECT 53 19
CONECT 54 19
CONECT 20 3
CONECT 21 3
CONECT 22 4
CONECT 23 4
CONECT 24 5
CONECT 25 5
CONECT 26 6
CONECT 27 6
CONECT 28 7
CONECT 29 7
CONECT 30 8
CONECT 31 8
CONECT 32 9
CONECT 33 9
CONECT 34 10
CONECT 35 10
CONECT 2 1 57
CONECT 57 2 58 59 60
CONECT 118 117
CONECT 94 93
CONECT 108 107
CONECT 119 117
CONECT 95 93
CONECT 109 107
CONECT 99 98 100 101 117
CONECT 111 110 112 113
CONECT 117 99 115 118 119
CONECT 115 96 116 117 120
CONECT 114 101 105 113
CONECT 96 93 97 98 115
CONECT 105 104 106 114
CONECT 93 92 94 95 96
CONECT 106 105 107 110
CONECT 102 101 103 104
CONECT 100 99
CONECT 112 111
CONECT 116 115
CONECT 97 96
CONECT 103 102
CONECT 110 106 111
CONECT 113 111 114
CONECT 107 106 108 109
CONECT 104 102 105
CONECT 101 99 102 114
CONECT 90 89
CONECT 91 89
CONECT 120 115 121
CONECT 98 96 99
CONECT 92 89 93
CONECT 89 88 90 91 92
CONECT 150 149
CONECT 126 125
CONECT 140 139
CONECT 151 149
CONECT 127 125
CONECT 141 139
CONECT 131 130 132 133 149
CONECT 143 142 144 145
CONECT 149 131 147 150 151
CONECT 147 128 148 149 152
CONECT 146 133 137 145
CONECT 128 125 129 130 147
CONECT 137 136 138 146
CONECT 125 124 126 127 128
CONECT 138 137 139 142
CONECT 134 133 135 136
CONECT 132 131
CONECT 144 143
CONECT 148 147
CONECT 129 128
CONECT 135 134
CONECT 142 138 143
CONECT 145 143 146
CONECT 139 138 140 141
CONECT 136 134 137
CONECT 133 131 134 146
CONECT 122 121
CONECT 123 121
CONECT 152 147 153
CONECT 130 128 131
CONECT 124 121 125
CONECT 121 120 122 123 124
CONECT 182 181
CONECT 158 157
CONECT 172 171
CONECT 183 181
CONECT 159 157
CONECT 173 171
CONECT 163 162 164 165 181
CONECT 175 174 176 177
CONECT 181 163 179 182 183
CONECT 179 160 180 181 184
CONECT 178 165 169 177
CONECT 160 157 161 162 179
CONECT 169 168 170 178
CONECT 157 156 158 159 160
CONECT 170 169 171 174
CONECT 166 165 167 168
CONECT 164 163
CONECT 176 175
CONECT 180 179
CONECT 161 160
CONECT 167 166
CONECT 174 170 175
CONECT 177 175 178
CONECT 171 170 172 173
CONECT 168 166 169
CONECT 165 163 166 178
CONECT 154 153
CONECT 155 153
CONECT 184 179 185
CONECT 162 160 163
CONECT 156 153 157
CONECT 153 152 154 155 156
CONECT 214 213
CONECT 190 189
CONECT 204 203
CONECT 215 213
CONECT 191 189
CONECT 205 203
CONECT 195 194 196 197 213
CONECT 207 206 208 209
CONECT 213 195 211 214 215
CONECT 211 192 212 213 216
CONECT 210 197 201 209
CONECT 192 189 193 194 211
CONECT 201 200 202 210
CONECT 189 188 190 191 192
CONECT 202 201 203 206
CONECT 198 197 199 200
CONECT 196 195
CONECT 208 207
CONECT 212 211
CONECT 193 192
CONECT 199 198
CONECT 206 202 207
CONECT 209 207 210
CONECT 203 202 204 205
CONECT 200 198 201
CONECT 197 195 198 210
CONECT 186 185
CONECT 187 185
CONECT 216 211 217
CONECT 194 192 195
CONECT 188 185 189
CONECT 185 184 186 187 188
CONECT 246 245
CONECT 222 221
CONECT 236 235
CONECT 247 245
CONECT 223 221
CONECT 237 235
CONECT 227 226 228 229 245
CONECT 239 238 240 241
CONECT 245 227 243 246 247
CONECT 243 224 244 245 248
CONECT 242 229 233 241
CONECT 224 221 225 226 243
CONECT 233 232 234 242
CONECT 221 220 222 223 224
CONECT 234 233 235 238
CONECT 230 229 231 232
CONECT 228 227
CONECT 240 239
CONECT 244 243
CONECT 225 224
CONECT 231 230
CONECT 238 234 239
CONECT 241 239 242
CONECT 235 234 236 237
CONECT 232 230 233
CONECT 229 227 230 242
CONECT 218 217
CONECT 219 217
CONECT 248 243 249
CONECT 226 224 227
CONECT 220 217 221
CONECT 217 216 218 219 220
CONECT 278 277
CONECT 254 253
CONECT 268 267
CONECT 279 277
CONECT 255 253
CONECT 269 267
CONECT 259 258 260 261 277
CONECT 271 270 272 273
CONECT 277 259 275 278 279
CONECT 275 256 276 277 280
CONECT 274 261 265 273
CONECT 256 253 257 258 275
CONECT 265 264 266 274
CONECT 253 252 254 255 256
CONECT 266 265 267 270
CONECT 262 261 263 264
CONECT 260 259
CONECT 272 271
CONECT 276 275
CONECT 257 256
CONECT 263 262
CONECT 270 266 271
CONECT 273 271 274
CONECT 267 266 268 269
CONECT 264 262 265
CONECT 261 259 262 274
CONECT 250 249
CONECT 251 249
CONECT 280 275 281
CONECT 258 256 259
CONECT 252 249 253
CONECT 249 248 250 251 252
CONECT 310 309
CONECT 286 285
CONECT 300 299
CONECT 311 309
CONECT 287 285
CONECT 301 299
CONECT 291 290 292 293 309
CONECT 303 302 304 305
CONECT 309 291 307 310 311
CONECT 307 288 308 309 312
CONECT 306 293 297 305
CONECT 288 285 289 290 307
CONECT 297 296 298 306
CONECT 285 284 286 287 288
CONECT 298 297 299 302
CONECT 294 293 295 296
CONECT 292 291
CONECT 304 303
CONECT 308 307
CONECT 289 288
CONECT 295 294
CONECT 302 298 303
CONECT 305 303 306
CONECT 299 298 300 301
CONECT 296 294 297
CONECT 293 291 294 306
CONECT 282 281
CONECT 283 281
CONECT 312 307 313
CONECT 290 288 291
CONECT 284 281 285
CONECT 281 280 282 283 284
CONECT 342 341
CONECT 318 317
CONECT 332 331
CONECT 343 341
CONECT 319 317
CONECT 333 331
CONECT 323 322 324 325 341
CONECT 335 334 336 337
CONECT 341 323 339 342 343
CONECT 339 320 340 341 344
CONECT 338 325 329 337
CONECT 320 317 321 322 339
CONECT 329 328 330 338
CONECT 317 316 318 319 320
CONECT 330 329 331 334
CONECT 326 325 327 328
CONECT 324 323
CONECT 336 335
CONECT 340 339
CONECT 321 320
CONECT 327 326
CONECT 334 330 335
CONECT 337 335 338
CONECT 331 330 332 333
CONECT 328 326 329
CONECT 325 323 326 338
CONECT 314 313
CONECT 315 313
CONECT 344 339 345
CONECT 322 320 323
CONECT 316 313 317
CONECT 313 312 314 315 316
CONECT 374 373
CONECT 350 349
CONECT 364 363
CONECT 375 373
CONECT 351 349
CONECT 365 363
CONECT 355 354 356 357 373
CONECT 367 366 368 369
CONECT 373 355 371 374 375
CONECT 371 352 372 373 376
CONECT 370 357 361 369
CONECT 352 349 353 354 371
CONECT 361 360 362 370
CONECT 349 348 350 351 352
CONECT 362 361 363 366
CONECT 358 357 359 360
CONECT 356 355
CONECT 368 367
CONECT 372 371
CONECT 353 352
CONECT 359 358
CONECT 366 362 367
CONECT 369 367 370
CONECT 363 362 364 365
CONECT 360 358 361
CONECT 357 355 358 370
CONECT 346 345
CONECT 347 345
CONECT 376 371
CONECT 354 352 355
CONECT 348 345 349
CONECT 345 344 346 347 348
CONECT 405 404
CONECT 381 380
CONECT 393 392
CONECT 406 404
CONECT 382 380
CONECT 394 392
CONECT 395 392
CONECT 386 385 387 388 404
CONECT 400 388 398 401
CONECT 404 386 402 405 406
CONECT 402 383 403 404 407
CONECT 396 391 397 398
CONECT 383 380 384 385 402
CONECT 391 389 392 396
CONECT 380 379 381 382 383
CONECT 389 388 390 391
CONECT 392 391 393 394 395
CONECT 387 386
CONECT 399 398
CONECT 403 402
CONECT 384 383
CONECT 390 389
CONECT 388 386 389 400
CONECT 398 396 399 400
CONECT 401 400
CONECT 407 402 408
CONECT 397 396
CONECT 385 383 386
CONECT 379 380
CONECT 437 436
CONECT 413 412
CONECT 425 424
CONECT 438 436
CONECT 414 412
CONECT 426 424
CONECT 427 424
CONECT 418 417 419 420 436
CONECT 432 420 430 433
CONECT 436 418 434 437 438
CONECT 434 415 435 436 439
CONECT 428 423 429 430
CONECT 415 412 416 417 434
CONECT 423 421 424 428
CONECT 412 411 413 414 415
CONECT 421 420 422 423
CONECT 424 423 425 426 427
CONECT 419 418
CONECT 431 430
CONECT 435 434
CONECT 416 415
CONECT 422 421
CONECT 420 418 421 432
CONECT 430 428 431 432
CONECT 409 408
CONECT 433 432
CONECT 410 408
CONECT 439 434 440
CONECT 429 428
CONECT 417 415 418
CONECT 411 408 412
CONECT 408 407 409 410 411
CONECT 469 468
CONECT 445 444
CONECT 457 456
CONECT 470 468
CONECT 446 444
CONECT 458 456
CONECT 459 456
CONECT 450 449 451 452 468
CONECT 464 452 462 465
CONECT 468 450 466 469 470
CONECT 466 447 467 468 471
CONECT 460 455 461 462
CONECT 447 444 448 449 466
CONECT 455 453 456 460
CONECT 444 443 445 446 447
CONECT 453 452 454 455
CONECT 456 455 457 458 459
CONECT 451 450
CONECT 463 462
CONECT 467 466
CONECT 448 447
CONECT 454 453
CONECT 452 450 453 464
CONECT 462 460 463 464
CONECT 441 440
CONECT 465 464
CONECT 442 440
CONECT 471 466 472
CONECT 461 460
CONECT 449 447 450
CONECT 443 440 444
CONECT 440 439 441 442 443
CONECT 501 500
CONECT 477 476
CONECT 489 488
CONECT 502 500
CONECT 478 476
CONECT 490 488
CONECT 491 488
CONECT 482 481 483 484 500
CONECT 496 484 494 497
CONECT 500 482 498 501 502
CONECT 498 479 499 500 503
CONECT 492 487 493 494
CONECT 479 476 480 481 498
CONECT 487 485 488 492
CONECT 476 475 477 478 479
CONECT 485 484 486 487
CONECT 488 487 489 490 491
CONECT 483 482
CONECT 495 494
CONECT 499 498
CONECT 480 479
CONECT 486 485
CONECT 484 482 485 496
CONECT 494 492 495 496
CONECT 473 472
CONECT 497 496
CONECT 474 472
CONECT 503 498 504
CONECT 493 492
CONECT 481 479 482
CONECT 475 472 476
CONECT 472 471 473 474 475
CONECT 533 532
CONECT 509 508
CONECT 521 520
CONECT 534 532
CONECT 510 508
CONECT 522 520
CONECT 523 520
CONECT 514 513 515 516 532
CONECT 528 516 526 529
CONECT 532 514 530 533 534
CONECT 530 511 531 532 535
CONECT 524 519 525 526
CONECT 511 508 512 513 530
CONECT 519 517 520 524
CONECT 508 507 509 510 511
CONECT 517 516 518 519
CONECT 520 519 521 522 523
CONECT 515 514
CONECT 527 526
CONECT 531 530
CONECT 512 511
CONECT 518 517
CONECT 516 514 517 528
CONECT 526 524 527 528
CONECT 505 504
CONECT 529 528
CONECT 506 504
CONECT 535 530 536
CONECT 525 524
CONECT 513 511 514
CONECT 507 504 508
CONECT 504 503 505 506 507
CONECT 565 564
CONECT 541 540
CONECT 553 552
CONECT 566 564
CONECT 542 540
CONECT 554 552
CONECT 555 552
CONECT 546 545 547 548 564
CONECT 560 548 558 561
CONECT 564 546 562 565 566
CONECT 562 543 563 564 567
CONECT 556 551 557 558
CONECT 543 540 544 545 562
CONECT 551 549 552 556
CONECT 540 539 541 542 543
CONECT 549 548 550 551
CONECT 552 551 553 554 555
CONECT 547 546
CONECT 559 558
CONECT 563 562
CONECT 544 543
CONECT 550 549
CONECT 548 546 549 560
CONECT 558 556 559 560
CONECT 537 536
CONECT 561 560
CONECT 538 536
CONECT 567 562 568
CONECT 557 556
CONECT 545 543 546
CONECT 539 536 540
CONECT 536 535 537 538 539
CONECT 597 596
CONECT 573 572
CONECT 585 584
CONECT 598 596
CONECT 574 572
CONECT 586 584
CONECT 587 584
CONECT 578 577 579 580 596
CONECT 592 580 590 593
CONECT 596 578 594 597 598
CONECT 594 575 595 596 599
CONECT 588 583 589 590
CONECT 575 572 576 577 594
CONECT 583 581 584 588
CONECT 572 571 573 574 575
CONECT 581 580 582 583
CONECT 584 583 585 586 587
CONECT 579 578
CONECT 591 590
CONECT 595 594
CONECT 576 575
CONECT 582 581
CONECT 580 578 581 592
CONECT 590 588 591 592
CONECT 569 568
CONECT 593 592
CONECT 570 568
CONECT 599 594 600
CONECT 589 588
CONECT 577 575 578
CONECT 571 568 572
CONECT 568 567 569 570 571
CONECT 629 628
CONECT 605 604
CONECT 617 616
CONECT 630 628
CONECT 606 604
CONECT 618 616
CONECT 619 616
CONECT 610 609 611 612 628
CONECT 624 612 622 625
CONECT 628 610 626 629 630
CONECT 626 607 627 628 631
CONECT 620 615 621 622
CONECT 607 604 608 609 626
CONECT 615 613 616 620
CONECT 604 603 605 606 607
CONECT 613 612 614 615
CONECT 616 615 617 618 619
CONECT 611 610
CONECT 623 622
CONECT 627 626
CONECT 608 607
CONECT 614 613
CONECT 612 610 613 624
CONECT 622 620 623 624
CONECT 601 600
CONECT 625 624
CONECT 602 600
CONECT 631 626 632
CONECT 621 620
CONECT 609 607 610
CONECT 603 600 604
CONECT 600 599 601 602 603
CONECT 661 660
CONECT 637 636
CONECT 649 648
CONECT 662 660
CONECT 638 636
CONECT 650 648
CONECT 651 648
CONECT 642 641 643 644 660
CONECT 656 644 654 657
CONECT 660 642 658 661 662
CONECT 658 639 659 660 663
CONECT 652 647 653 654
CONECT 639 636 640 641 658
CONECT 647 645 648 652
CONECT 636 635 637 638 639
CONECT 645 644 646 647
CONECT 648 647 649 650 651
CONECT 643 642
CONECT 655 654
CONECT 659 658
CONECT 640 639
CONECT 646 645
CONECT 644 642 645 656
CONECT 654 652 655 656
CONECT 633 632
CONECT 657 656
CONECT 634 632
CONECT 663 658 664
CONECT 653 652
CONECT 641 639 642
CONECT 635 632 636
CONECT 632 631 633 634 635
CONECT 693 692
CONECT 669 668
CONECT 681 680
CONECT 694 692
CONECT 670 668
CONECT 682 680
CONECT 683 680
CONECT 674 673 675 676 692
CONECT 688 676 686 689
CONECT 692 674 690 693 694
CONECT 690 671 691 692 695
CONECT 684 679 685 686
CONECT 671 668 672 673 690
CONECT 679 677 680 684
CONECT 668 667 669 670 671
CONECT 677 676 678 679
CONECT 680 679 681 682 683
CONECT 675 674
CONECT 687 686
CONECT 691 690
CONECT 672 671
CONECT 678 677
CONECT 676 674 677 688
CONECT 686 684 687 688
CONECT 665 664
CONECT 689 688
CONECT 666 664
CONECT 695 690
CONECT 685 684
CONECT 673 671 674
CONECT 667 664 668
CONECT 664 663 665 666 667
END
On Tue, Jan 11, 2022 at 9:19 AM David A Case <david.case.rutgers.edu> wrote:
> On Mon, Jan 10, 2022, Daniel Konstantinovsky wrote:
> >
> >I am trying to bond a newly parameterized residue to the phosphate of a
> >*non-terminal* DA residue. It is non terminal in the original PDB.
> However,
> >tleap seems to make it a DA5 anyway
>
> Can you post the part of the pdb file that shows the problem? Without
> knowing what is in that , it's hard to tell why tleap might want to make a
> chain break before that residue.
>
> ....dac
>
>
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Received on Tue Jan 11 2022 - 07:30:03 PST
