292 lines (291 with data), 22.5 kB
HEADER 1IMX_POCKET
COMPND 1IMX_POCKET
REMARK GENERATED BY X-TOOL on Mon Nov 18 15:59:54 2013
ATOM 1 N GLU 3 21.345 23.186 19.281 1.00 40.58 N
ATOM 2 HN1 GLU 3 20.985 24.090 18.914 1.00 0.00 H
ATOM 3 HN2 GLU 3 22.163 22.881 18.715 1.00 0.00 H
ATOM 4 HN3 GLU 3 20.597 22.466 19.227 1.00 0.00 H
ATOM 5 CA GLU 3 21.763 23.360 20.702 1.00 39.28 C
ATOM 6 C GLU 3 22.290 22.034 21.238 1.00 36.12 C
ATOM 7 O GLU 3 21.547 21.053 21.341 1.00 34.69 O
ATOM 8 CB GLU 3 20.574 23.829 21.544 1.00 43.29 C
ATOM 9 CG GLU 3 20.929 24.248 22.961 1.00 47.70 C
ATOM 10 CD GLU 3 21.855 25.450 23.005 1.00 51.18 C
ATOM 11 OE1 GLU 3 23.016 25.333 22.555 1.00 53.19 O
ATOM 12 OE2 GLU 3 21.417 26.516 23.491 1.00 53.34 O
ATOM 13 N THR 4 23.577 22.006 21.570 1.00 32.31 N
ATOM 14 H THR 4 24.151 22.867 21.463 1.00 0.00 H
ATOM 15 CA THR 4 24.198 20.790 22.081 1.00 28.03 C
ATOM 16 C THR 4 24.819 21.025 23.459 1.00 25.42 C
ATOM 17 O THR 4 24.815 22.142 23.979 1.00 24.26 O
ATOM 18 CB THR 4 25.302 20.275 21.124 1.00 27.05 C
ATOM 19 OG1 THR 4 26.390 21.207 21.103 1.00 30.04 O
ATOM 20 HG1 THR 4 27.094 20.876 20.491 1.00 0.00 H
ATOM 21 CG2 THR 4 24.759 20.119 19.705 1.00 30.38 C
ATOM 22 N LEU 5 25.352 19.960 24.043 1.00 23.00 N
ATOM 23 H LEU 5 25.327 19.046 23.548 1.00 0.00 H
ATOM 24 CA LEU 5 25.973 20.038 25.363 1.00 20.75 C
ATOM 25 C LEU 5 27.440 19.652 25.278 1.00 21.04 C
ATOM 26 O LEU 5 27.760 18.511 24.968 1.00 19.87 O
ATOM 27 CB LEU 5 25.267 19.090 26.330 1.00 22.80 C
ATOM 28 CG LEU 5 23.833 19.428 26.732 1.00 23.29 C
ATOM 29 CD1 LEU 5 23.208 18.236 27.457 1.00 23.30 C
ATOM 30 CD2 LEU 5 23.837 20.660 27.606 1.00 23.89 C
ATOM 31 N CYS 6 28.325 20.596 25.571 1.00 22.34 N
ATOM 32 H CYS 6 27.995 21.544 25.841 1.00 0.00 H
ATOM 33 CA CYS 6 29.754 20.318 25.518 1.00 23.49 C
ATOM 34 C CYS 6 30.466 20.794 26.775 1.00 21.36 C
ATOM 35 O CYS 6 29.958 21.639 27.503 1.00 21.75 O
ATOM 36 CB CYS 6 30.390 21.014 24.318 1.00 25.95 C
ATOM 37 SG CYS 6 29.722 20.565 22.681 1.00 32.41 S
ATOM 38 N ALA 8 31.859 21.763 30.227 1.00 18.95 N
ATOM 39 H ALA 8 32.421 22.554 29.852 1.00 0.00 H
ATOM 40 CA ALA 8 31.240 21.895 31.539 1.00 19.05 C
ATOM 41 C ALA 8 29.720 21.775 31.502 1.00 19.49 C
ATOM 42 O ALA 8 29.117 21.255 32.440 1.00 17.58 O
ATOM 43 CB ALA 8 31.636 23.226 32.172 1.00 21.91 C
ATOM 44 N GLU 9 29.103 22.272 30.432 1.00 19.90 N
ATOM 45 H GLU 9 29.661 22.719 29.677 1.00 0.00 H
ATOM 46 CA GLU 9 27.648 22.195 30.309 1.00 22.32 C
ATOM 47 C GLU 9 27.196 20.741 30.267 1.00 20.10 C
ATOM 48 O GLU 9 26.156 20.387 30.827 1.00 18.44 O
ATOM 49 CB GLU 9 27.170 22.921 29.044 1.00 23.26 C
ATOM 50 CG GLU 9 27.153 24.436 29.162 1.00 33.59 C
ATOM 51 CD GLU 9 26.747 25.128 27.865 1.00 40.51 C
ATOM 52 OE1 GLU 9 25.691 24.772 27.288 1.00 41.76 O
ATOM 53 OE2 GLU 9 27.486 26.037 27.427 1.00 46.41 O
ATOM 54 N LEU 10 27.988 19.906 29.601 1.00 18.27 N
ATOM 55 H LEU 10 28.854 20.280 29.162 1.00 0.00 H
ATOM 56 CA LEU 10 27.688 18.489 29.464 1.00 19.45 C
ATOM 57 C LEU 10 27.833 17.797 30.805 1.00 18.61 C
ATOM 58 O LEU 10 27.012 16.967 31.162 1.00 18.14 O
ATOM 59 CB LEU 10 28.625 17.834 28.439 1.00 17.40 C
ATOM 60 CG LEU 10 28.493 16.318 28.247 1.00 17.55 C
ATOM 61 CD1 LEU 10 27.070 15.981 27.806 1.00 19.10 C
ATOM 62 CD2 LEU 10 29.503 15.836 27.210 1.00 20.59 C
ATOM 63 N VAL 11 28.881 18.145 31.544 1.00 18.70 N
ATOM 64 H VAL 11 29.548 18.855 31.181 1.00 0.00 H
ATOM 65 CA VAL 11 29.112 17.550 32.852 1.00 16.93 C
ATOM 66 C VAL 11 28.022 17.975 33.830 1.00 16.76 C
ATOM 67 O VAL 11 27.551 17.152 34.623 1.00 15.91 O
ATOM 68 CB VAL 11 30.497 17.947 33.409 1.00 18.06 C
ATOM 69 CG1 VAL 11 30.688 17.361 34.802 1.00 18.45 C
ATOM 70 CG2 VAL 11 31.590 17.425 32.478 1.00 19.40 C
ATOM 71 N ASP 12 27.617 19.246 33.773 1.00 17.21 N
ATOM 72 H ASP 12 28.070 19.894 33.097 1.00 0.00 H
ATOM 73 CA ASP 12 26.545 19.750 34.644 1.00 18.82 C
ATOM 74 C ASP 12 25.275 18.943 34.378 1.00 17.00 C
ATOM 75 O ASP 12 24.578 18.538 35.304 1.00 16.81 O
ATOM 76 CB ASP 12 26.199 21.225 34.361 1.00 20.21 C
ATOM 77 CG ASP 12 27.135 22.216 35.041 1.00 28.80 C
ATOM 78 OD1 ASP 12 27.539 21.989 36.197 1.00 30.36 O
ATOM 79 OD2 ASP 12 27.433 23.256 34.416 1.00 32.22 O
ATOM 80 N ALA 13 24.965 18.729 33.104 1.00 17.79 N
ATOM 81 H ALA 13 25.588 19.094 32.356 1.00 0.00 H
ATOM 82 CA ALA 13 23.758 17.986 32.739 1.00 16.89 C
ATOM 83 C ALA 13 23.801 16.566 33.268 1.00 14.97 C
ATOM 84 O ALA 13 22.814 16.064 33.792 1.00 17.49 O
ATOM 85 CB ALA 13 23.572 17.971 31.210 1.00 14.93 C
ATOM 86 N LEU 14 24.949 15.913 33.134 1.00 15.67 N
ATOM 87 H LEU 14 25.758 16.382 32.679 1.00 0.00 H
ATOM 88 CA LEU 14 25.086 14.548 33.618 1.00 18.93 C
ATOM 89 C LEU 14 24.970 14.472 35.133 1.00 18.34 C
ATOM 90 O LEU 14 24.328 13.566 35.662 1.00 20.26 O
ATOM 91 CB LEU 14 26.422 13.961 33.171 1.00 18.87 C
ATOM 92 CG LEU 14 26.467 13.635 31.678 1.00 21.41 C
ATOM 93 CD1 LEU 14 27.904 13.344 31.265 1.00 21.95 C
ATOM 94 CD2 LEU 14 25.559 12.447 31.384 1.00 23.31 C
ATOM 95 N GLN 15 25.599 15.408 35.835 1.00 18.83 N
ATOM 96 H GLN 15 26.140 16.150 35.346 1.00 0.00 H
ATOM 97 CA GLN 15 25.530 15.394 37.296 1.00 20.82 C
ATOM 98 C GLN 15 24.092 15.594 37.756 1.00 20.67 C
ATOM 99 O GLN 15 23.660 15.000 38.737 1.00 21.67 O
ATOM 100 CB GLN 15 26.433 16.479 37.902 1.00 23.04 C
ATOM 101 CG GLN 15 27.904 16.332 37.526 1.00 27.53 C
ATOM 102 CD GLN 15 28.806 17.317 38.255 1.00 32.52 C
ATOM 103 OE1 GLN 15 29.329 17.021 39.327 1.00 37.34 O
ATOM 104 NE2 GLN 15 28.984 18.495 37.677 1.00 34.41 N
ATOM 105 1HE2 GLN 15 29.586 19.211 38.131 1.00 0.00 H
ATOM 106 2HE2 GLN 15 28.522 18.704 36.769 1.00 0.00 H
ATOM 107 N PHE 16 23.345 16.425 37.042 1.00 21.19 N
ATOM 108 H PHE 16 23.752 16.902 36.212 1.00 0.00 H
ATOM 109 CA PHE 16 21.957 16.675 37.412 1.00 20.83 C
ATOM 110 C PHE 16 21.060 15.477 37.109 1.00 21.49 C
ATOM 111 O PHE 16 20.275 15.039 37.960 1.00 21.46 O
ATOM 112 CB PHE 16 21.413 17.895 36.672 1.00 21.79 C
ATOM 113 CG PHE 16 20.010 18.257 37.071 1.00 23.48 C
ATOM 114 CD1 PHE 16 19.769 18.915 38.272 1.00 26.61 C
ATOM 115 CD2 PHE 16 18.927 17.902 36.270 1.00 24.91 C
ATOM 116 CE1 PHE 16 18.464 19.217 38.678 1.00 27.63 C
ATOM 117 CE2 PHE 16 17.617 18.195 36.660 1.00 25.43 C
ATOM 118 CZ PHE 16 17.385 18.856 37.869 1.00 27.34 C
ATOM 119 N VAL 17 21.175 14.948 35.894 1.00 20.63 N
ATOM 120 H VAL 17 21.861 15.354 35.226 1.00 0.00 H
ATOM 121 CA VAL 17 20.361 13.811 35.478 1.00 22.47 C
ATOM 122 C VAL 17 20.721 12.504 36.183 1.00 23.97 C
ATOM 123 O VAL 17 19.843 11.718 36.548 1.00 24.72 O
ATOM 124 CB VAL 17 20.462 13.592 33.943 1.00 23.54 C
ATOM 125 CG1 VAL 17 19.797 12.278 33.543 1.00 23.66 C
ATOM 126 CG2 VAL 17 19.809 14.749 33.220 1.00 22.83 C
ATOM 127 N CYS 18 22.008 12.269 36.393 1.00 23.54 N
ATOM 128 H CYS 18 22.720 12.972 36.110 1.00 0.00 H
ATOM 129 CA CYS 18 22.420 11.024 37.020 1.00 26.98 C
ATOM 130 C CYS 18 22.367 11.045 38.544 1.00 28.88 C
ATOM 131 O CYS 18 22.364 9.994 39.186 1.00 28.42 O
ATOM 132 CB CYS 18 23.819 10.655 36.546 1.00 24.14 C
ATOM 133 SG CYS 18 23.954 10.474 34.742 1.00 25.19 S
ATOM 134 N GLU 46 27.577 11.775 20.472 1.00 25.17 N
ATOM 135 H GLU 46 28.054 11.284 21.255 1.00 0.00 H
ATOM 136 CA GLU 46 26.124 11.817 20.450 1.00 25.18 C
ATOM 137 C GLU 46 25.461 13.097 20.946 1.00 25.24 C
ATOM 138 O GLU 46 24.452 13.525 20.380 1.00 22.77 O
ATOM 139 CB GLU 46 25.607 10.607 21.238 1.00 27.92 C
ATOM 140 CG GLU 46 24.101 10.473 21.364 1.00 32.79 C
ATOM 141 CD GLU 46 23.689 9.078 21.804 1.00 33.57 C
ATOM 142 OE1 GLU 46 24.427 8.467 22.604 1.00 34.85 O
ATOM 143 OE2 GLU 46 22.626 8.591 21.360 1.00 38.92 O
ATOM 144 N CYS 47 26.043 13.720 21.972 1.00 23.11 N
ATOM 145 H CYS 47 26.938 13.346 22.348 1.00 0.00 H
ATOM 146 CA CYS 47 25.460 14.911 22.581 1.00 22.91 C
ATOM 147 C CYS 47 26.165 16.251 22.458 1.00 22.44 C
ATOM 148 O CYS 47 25.554 17.285 22.732 1.00 22.24 O
ATOM 149 CB CYS 47 25.219 14.640 24.065 1.00 24.62 C
ATOM 150 SG CYS 47 24.166 13.200 24.416 1.00 27.16 S
ATOM 151 N CYS 48 27.441 16.259 22.084 1.00 20.75 N
ATOM 152 H CYS 48 27.933 15.363 21.894 1.00 0.00 H
ATOM 153 CA CYS 48 28.152 17.528 21.940 1.00 21.81 C
ATOM 154 C CYS 48 28.352 17.853 20.460 1.00 23.14 C
ATOM 155 O CYS 48 28.018 18.941 20.012 1.00 24.19 O
ATOM 156 CB CYS 48 29.495 17.488 22.682 1.00 24.97 C
ATOM 157 SG CYS 48 30.650 18.822 22.208 1.00 26.62 S
ATOM 158 N ARG 50 26.791 16.340 18.183 1.00 30.00 N
ATOM 159 H ARG 50 27.036 15.820 19.050 1.00 0.00 H
ATOM 160 CA ARG 50 25.433 16.246 17.669 1.00 30.05 C
ATOM 161 C ARG 50 24.488 16.564 18.821 1.00 29.81 C
ATOM 162 O ARG 50 24.905 16.609 19.980 1.00 27.39 O
ATOM 163 CB ARG 50 25.160 14.835 17.152 1.00 30.92 C
ATOM 164 CG ARG 50 26.121 14.387 16.053 1.00 35.02 C
ATOM 165 CD ARG 50 25.747 13.021 15.519 1.00 37.07 C
ATOM 166 NE ARG 50 26.569 12.638 14.374 1.00 39.96 N
ATOM 167 HE ARG 50 26.122 12.643 13.435 1.00 0.00 H
ATOM 168 CZ ARG 50 27.849 12.283 14.448 1.00 41.40 C
ATOM 169 NH1 ARG 50 28.471 12.253 15.622 1.00 39.89 N
ATOM 170 1HH1 ARG 50 27.957 12.508 16.489 1.00 0.00 H
ATOM 171 2HH1 ARG 50 29.472 11.975 15.673 1.00 0.00 H
ATOM 172 NH2 ARG 50 28.508 11.962 13.341 1.00 39.75 N
ATOM 173 1HH2 ARG 50 28.023 11.989 12.421 1.00 0.00 H
ATOM 174 2HH2 ARG 50 29.509 11.684 13.394 1.00 0.00 H
ATOM 175 N SER 51 23.222 16.797 18.505 1.00 29.87 N
ATOM 176 H SER 51 22.925 16.766 17.509 1.00 0.00 H
ATOM 177 CA SER 51 22.242 17.096 19.541 1.00 31.37 C
ATOM 178 C SER 51 21.575 15.797 19.960 1.00 29.64 C
ATOM 179 O SER 51 21.213 14.976 19.120 1.00 30.88 O
ATOM 180 CB SER 51 21.192 18.080 19.015 1.00 32.94 C
ATOM 181 OG SER 51 20.610 17.597 17.816 1.00 37.55 O
ATOM 182 HG SER 51 21.315 17.484 17.131 1.00 0.00 H
ATOM 183 N CYS 52 21.422 15.596 21.263 1.00 28.52 N
ATOM 184 H CYS 52 21.755 16.311 21.941 1.00 0.00 H
ATOM 185 CA CYS 52 20.791 14.381 21.744 1.00 26.31 C
ATOM 186 C CYS 52 19.670 14.760 22.708 1.00 26.88 C
ATOM 187 O CYS 52 19.685 15.844 23.280 1.00 26.07 O
ATOM 188 CB CYS 52 21.832 13.473 22.426 1.00 26.56 C
ATOM 189 SG CYS 52 22.278 13.907 24.144 1.00 28.95 S
ATOM 190 N ASP 53 18.683 13.886 22.869 1.00 28.02 N
ATOM 191 H ASP 53 18.694 12.987 22.346 1.00 0.00 H
ATOM 192 CA ASP 53 17.586 14.188 23.778 1.00 27.91 C
ATOM 193 C ASP 53 17.844 13.595 25.159 1.00 25.38 C
ATOM 194 O ASP 53 18.759 12.787 25.337 1.00 24.78 O
ATOM 195 CB ASP 53 16.254 13.679 23.215 1.00 33.12 C
ATOM 196 CG ASP 53 16.282 12.206 22.878 1.00 37.43 C
ATOM 197 OD1 ASP 53 16.730 11.405 23.722 1.00 40.45 O
ATOM 198 OD2 ASP 53 15.841 11.845 21.765 1.00 43.58 O
ATOM 199 N LEU 54 17.031 13.999 26.130 1.00 23.51 N
ATOM 200 H LEU 54 16.264 14.662 25.896 1.00 0.00 H
ATOM 201 CA LEU 54 17.172 13.548 27.516 1.00 21.61 C
ATOM 202 C LEU 54 17.299 12.032 27.684 1.00 24.44 C
ATOM 203 O LEU 54 18.137 11.554 28.450 1.00 23.83 O
ATOM 204 CB LEU 54 15.990 14.063 28.351 1.00 24.06 C
ATOM 205 CG LEU 54 16.009 13.745 29.851 1.00 23.03 C
ATOM 206 CD1 LEU 54 17.280 14.311 30.477 1.00 23.05 C
ATOM 207 CD2 LEU 54 14.766 14.337 30.519 1.00 21.62 C
ATOM 208 N ARG 55 16.453 11.282 26.983 1.00 25.32 N
ATOM 209 H ARG 55 15.758 11.748 26.365 1.00 0.00 H
ATOM 210 CA ARG 55 16.472 9.824 27.056 1.00 29.27 C
ATOM 211 C ARG 55 17.863 9.270 26.741 1.00 29.08 C
ATOM 212 O ARG 55 18.388 8.439 27.481 1.00 30.02 O
ATOM 213 CB ARG 55 15.428 9.252 26.084 1.00 32.36 C
ATOM 214 CG ARG 55 15.889 8.069 25.255 1.00 38.90 C
ATOM 215 CD ARG 55 14.976 7.878 24.047 1.00 45.72 C
ATOM 216 NE ARG 55 15.564 6.999 23.039 1.00 47.82 N
ATOM 217 HE ARG 55 16.393 6.433 23.311 1.00 0.00 H
ATOM 218 CZ ARG 55 15.107 6.877 21.797 1.00 50.67 C
ATOM 219 NH1 ARG 55 14.051 7.577 21.403 1.00 51.86 N
ATOM 220 1HH1 ARG 55 13.578 8.223 22.067 1.00 0.00 H
ATOM 221 2HH1 ARG 55 13.696 7.479 20.430 1.00 0.00 H
ATOM 222 NH2 ARG 55 15.713 6.063 20.942 1.00 52.69 N
ATOM 223 1HH2 ARG 55 16.547 5.519 21.243 1.00 0.00 H
ATOM 224 2HH2 ARG 55 15.354 5.969 19.970 1.00 0.00 H
ATOM 225 N ARG 56 18.459 9.741 25.650 1.00 28.87 N
ATOM 226 H ARG 56 17.970 10.454 25.071 1.00 0.00 H
ATOM 227 CA ARG 56 19.784 9.280 25.247 1.00 28.25 C
ATOM 228 C ARG 56 20.836 9.710 26.261 1.00 26.10 C
ATOM 229 O ARG 56 21.733 8.943 26.605 1.00 24.59 O
ATOM 230 CB ARG 56 20.131 9.824 23.864 1.00 32.15 C
ATOM 231 CG ARG 56 19.160 9.383 22.777 1.00 36.63 C
ATOM 232 CD ARG 56 19.130 7.868 22.640 1.00 41.12 C
ATOM 233 NE ARG 56 20.433 7.335 22.246 1.00 45.83 N
ATOM 234 HE ARG 56 21.219 8.008 22.136 1.00 0.00 H
ATOM 235 CZ ARG 56 20.682 6.048 22.019 1.00 47.14 C
ATOM 236 NH1 ARG 56 19.715 5.143 22.145 1.00 48.10 N
ATOM 237 1HH1 ARG 56 18.758 5.440 22.422 1.00 0.00 H
ATOM 238 2HH1 ARG 56 19.916 4.138 21.966 1.00 0.00 H
ATOM 239 NH2 ARG 56 21.903 5.663 21.668 1.00 47.14 N
ATOM 240 1HH2 ARG 56 22.662 6.367 21.571 1.00 0.00 H
ATOM 241 2HH2 ARG 56 22.100 4.657 21.490 1.00 0.00 H
ATOM 242 N LEU 57 20.722 10.937 26.749 1.00 23.77 N
ATOM 243 H LEU 57 19.948 11.550 26.422 1.00 0.00 H
ATOM 244 CA LEU 57 21.666 11.438 27.737 1.00 24.25 C
ATOM 245 C LEU 57 21.681 10.571 28.999 1.00 23.07 C
ATOM 246 O LEU 57 22.743 10.211 29.503 1.00 22.21 O
ATOM 247 CB LEU 57 21.313 12.878 28.114 1.00 23.53 C
ATOM 248 CG LEU 57 22.196 13.524 29.182 1.00 26.78 C
ATOM 249 CD1 LEU 57 23.607 13.680 28.642 1.00 27.05 C
ATOM 250 CD2 LEU 57 21.616 14.880 29.573 1.00 29.06 C
ATOM 251 N GLU 58 20.502 10.221 29.505 1.00 22.38 N
ATOM 252 H GLU 58 19.629 10.524 29.028 1.00 0.00 H
ATOM 253 CA GLU 58 20.416 9.418 30.720 1.00 23.58 C
ATOM 254 C GLU 58 20.997 8.011 30.577 1.00 24.58 C
ATOM 255 O GLU 58 21.277 7.344 31.571 1.00 25.79 O
ATOM 256 CB GLU 58 18.962 9.339 31.208 1.00 28.54 C
ATOM 257 CG GLU 58 18.846 8.882 32.659 1.00 33.93 C
ATOM 258 CD GLU 58 17.432 8.981 33.202 1.00 39.15 C
ATOM 259 OE1 GLU 58 17.255 8.853 34.436 1.00 40.04 O
ATOM 260 OE2 GLU 58 16.501 9.186 32.393 1.00 38.91 O
HETATM 261 O HOH 1 19.233 24.775 26.258 1.00 26.52 O
HETATM 262 O HOH 2 23.844 21.902 31.091 1.00 25.18 O
HETATM 263 O HOH 3 21.586 23.586 27.578 1.00 27.61 O
HETATM 264 O HOH 4 24.598 19.907 37.713 1.00 33.98 O
HETATM 265 O HOH 5 30.826 19.432 40.704 1.00 25.98 O
HETATM 266 O HOH 6 16.726 17.213 41.032 1.00 30.65 O
HETATM 267 O HOH 9 27.375 23.380 25.609 1.00 25.50 O
HETATM 268 O HOH 11 24.421 23.879 32.911 1.00 33.11 O
HETATM 269 O HOH 14 22.741 17.594 22.815 1.00 25.10 O
HETATM 270 O HOH 18 29.885 25.101 35.288 1.00 44.79 O
HETATM 271 O HOH 22 27.367 20.489 38.261 1.00 39.77 O
HETATM 272 O HOH 26 20.578 26.000 50.412 1.00 41.51 O
HETATM 273 O HOH 27 22.836 23.748 25.121 1.00 39.96 O
HETATM 274 O HOH 29 13.819 12.315 25.864 1.00 37.09 O
HETATM 275 O HOH 35 17.805 27.198 25.358 1.00 45.50 O
HETATM 276 O HOH 37 33.353 19.907 46.297 1.00 52.88 O
HETATM 277 O HOH 38 19.542 18.349 42.699 1.00 70.96 O
HETATM 278 O HOH 40 19.479 20.986 17.061 1.00 47.48 O
HETATM 279 O HOH 42 18.640 26.687 48.506 1.00 42.18 O
HETATM 280 O HOH 43 23.874 24.715 29.142 1.00 52.80 O
HETATM 281 O HOH 44 28.777 25.529 32.466 1.00 64.12 O
HETATM 282 O HOH 45 19.754 15.805 40.466 1.00 32.06 O
CONECT 37 36 157
CONECT 133 132
CONECT 150 149 189
CONECT 157 37 156
CONECT 189 150 188
END