Browse entries in the PDBbind-CN Database
HEADER 1UTI_COMPLEX COMPND 1UTI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 VAL ARG TRP ALA ARG ALA LEU TYR ASP PHE GLU ALA LEU SEQRES 2 A 57 GLU GLU ASP GLU LEU GLY PHE ARG SER GLY GLU VAL VAL SEQRES 3 A 57 GLU VAL LEU ASP SER SER ASN PRO SER TRP TRP THR GLY SEQRES 4 A 57 ARG LEU HIS ASN LYS LEU GLY LEU PHE PRO ALA ASN TYR SEQRES 5 A 57 VAL ALA PRO MET MET HET GLY A 121 272 ATOM 1 N VAL A 1 0.121 12.330 10.741 1.00 20.74 N ATOM 2 CA VAL A 1 0.617 11.452 9.636 1.00 20.39 C ATOM 3 C VAL A 1 -0.418 10.374 9.332 1.00 19.62 C ATOM 4 O VAL A 1 -0.812 9.630 10.226 1.00 20.06 O ATOM 5 CB VAL A 1 1.956 10.769 10.005 1.00 20.59 C ATOM 6 CG1 VAL A 1 2.399 9.791 8.902 1.00 20.51 C ATOM 7 CG2 VAL A 1 3.030 11.815 10.257 1.00 21.49 C ATOM 8 HA VAL A 1 0.780 12.083 8.762 1.00 0.00 H ATOM 9 HB VAL A 1 1.806 10.196 10.920 1.00 0.00 H ATOM 10 HG11 VAL A 1 1.638 9.022 8.773 1.00 0.00 H ATOM 11 HG12 VAL A 1 2.530 10.335 7.967 1.00 0.00 H ATOM 12 HG13 VAL A 1 3.342 9.326 9.188 1.00 0.00 H ATOM 13 HG21 VAL A 1 3.171 12.413 9.357 1.00 0.00 H ATOM 14 HG22 VAL A 1 2.721 12.461 11.079 1.00 0.00 H ATOM 15 HG23 VAL A 1 3.965 11.319 10.515 1.00 0.00 H ATOM 16 HN3 VAL A 1 -0.040 11.756 11.593 1.00 0.00 H ATOM 17 HN2 VAL A 1 -0.771 12.780 10.451 1.00 0.00 H ATOM 18 HN1 VAL A 1 0.830 13.063 10.944 1.00 0.00 H ATOM 19 N ARG A 2 -0.849 10.296 8.074 1.00 18.21 N ATOM 20 CA ARG A 2 -1.880 9.340 7.656 1.00 17.65 C ATOM 21 C ARG A 2 -1.306 8.161 6.867 1.00 15.88 C ATOM 22 O ARG A 2 -1.841 7.056 6.926 1.00 14.66 O ATOM 23 CB ARG A 2 -2.936 10.041 6.802 1.00 18.17 C ATOM 24 CG ARG A 2 -3.711 11.139 7.532 1.00 20.95 C ATOM 25 CD ARG A 2 -5.020 10.673 8.152 1.00 24.96 C ATOM 26 NE ARG A 2 -4.808 9.701 9.223 1.00 27.62 N ATOM 27 CZ ARG A 2 -4.357 9.991 10.443 1.00 29.59 C ATOM 28 NH1 ARG A 2 -4.057 11.242 10.792 1.00 30.61 N ATOM 29 NH2 ARG A 2 -4.201 9.018 11.331 1.00 30.54 N ATOM 30 HA ARG A 2 -2.328 8.947 8.569 1.00 0.00 H ATOM 31 HB2 ARG A 2 -2.437 10.489 5.942 1.00 0.00 H ATOM 32 HB3 ARG A 2 -3.649 9.292 6.457 1.00 0.00 H ATOM 33 HG2 ARG A 2 -3.078 11.534 8.326 1.00 0.00 H ATOM 34 HG3 ARG A 2 -3.934 11.932 6.819 1.00 0.00 H ATOM 35 HD2 ARG A 2 -5.632 10.213 7.376 1.00 0.00 H ATOM 36 HD3 ARG A 2 -5.543 11.538 8.561 1.00 0.00 H ATOM 37 HE ARG A 2 -5.026 8.705 9.017 1.00 0.00 H ATOM 38 HH12 ARG A 2 -3.707 11.445 11.750 1.00 0.00 H ATOM 39 HH11 ARG A 2 -4.173 12.015 10.106 1.00 0.00 H ATOM 40 HH22 ARG A 2 -3.850 9.236 12.285 1.00 0.00 H ATOM 41 HH21 ARG A 2 -4.430 8.037 11.073 1.00 0.00 H ATOM 42 H ARG A 2 -0.440 10.936 7.363 1.00 0.00 H ATOM 43 N TRP A 3 -0.243 8.415 6.110 1.00 14.75 N ATOM 44 CA TRP A 3 0.351 7.422 5.221 1.00 14.21 C ATOM 45 C TRP A 3 1.870 7.484 5.327 1.00 13.60 C ATOM 46 O TRP A 3 2.436 8.555 5.453 1.00 14.04 O ATOM 47 CB TRP A 3 -0.092 7.687 3.774 1.00 14.37 C ATOM 48 CG TRP A 3 -1.551 7.675 3.593 1.00 14.40 C ATOM 49 CD1 TRP A 3 -2.376 8.745 3.474 1.00 16.21 C ATOM 50 CD2 TRP A 3 -2.375 6.516 3.518 1.00 14.26 C ATOM 51 NE1 TRP A 3 -3.678 8.322 3.338 1.00 16.72 N ATOM 52 CE2 TRP A 3 -3.703 6.953 3.358 1.00 15.33 C ATOM 53 CE3 TRP A 3 -2.126 5.142 3.572 1.00 14.25 C ATOM 54 CZ2 TRP A 3 -4.774 6.063 3.247 1.00 15.74 C ATOM 55 CZ3 TRP A 3 -3.184 4.264 3.464 1.00 15.16 C ATOM 56 CH2 TRP A 3 -4.490 4.727 3.301 1.00 16.00 C ATOM 57 HA TRP A 3 0.016 6.427 5.514 1.00 0.00 H ATOM 58 HB2 TRP A 3 0.285 8.664 3.471 1.00 0.00 H ATOM 59 HB3 TRP A 3 0.341 6.918 3.134 1.00 0.00 H ATOM 60 HE1 TRP A 3 -4.508 8.941 3.237 1.00 0.00 H ATOM 61 HD1 TRP A 3 -2.055 9.787 3.485 1.00 0.00 H ATOM 62 HZ2 TRP A 3 -5.796 6.420 3.122 1.00 0.00 H ATOM 63 HH2 TRP A 3 -5.303 4.006 3.215 1.00 0.00 H ATOM 64 HZ3 TRP A 3 -2.997 3.191 3.507 1.00 0.00 H ATOM 65 HE3 TRP A 3 -1.109 4.769 3.698 1.00 0.00 H ATOM 66 H TRP A 3 0.184 9.362 6.153 1.00 0.00 H ATOM 67 N ALA A 4 2.524 6.330 5.278 1.00 12.59 N ATOM 68 CA ALA A 4 3.983 6.272 5.317 1.00 12.02 C ATOM 69 C ALA A 4 4.463 5.098 4.483 1.00 11.62 C ATOM 70 O ALA A 4 3.787 4.083 4.383 1.00 11.63 O ATOM 71 CB ALA A 4 4.471 6.142 6.754 1.00 12.15 C ATOM 72 HA ALA A 4 4.391 7.194 4.903 1.00 0.00 H ATOM 73 HB1 ALA A 4 4.134 7.004 7.330 1.00 0.00 H ATOM 74 HB2 ALA A 4 4.067 5.229 7.192 1.00 0.00 H ATOM 75 HB3 ALA A 4 5.560 6.100 6.764 1.00 0.00 H ATOM 76 H ALA A 4 1.984 5.444 5.210 1.00 0.00 H ATOM 77 N ARG A 5 5.632 5.244 3.873 1.00 11.83 N ATOM 78 CA ARG A 5 6.182 4.206 3.013 1.00 12.15 C ATOM 79 C ARG A 5 7.334 3.483 3.702 1.00 11.50 C ATOM 80 O ARG A 5 8.223 4.124 4.261 1.00 11.26 O ATOM 81 CB ARG A 5 6.664 4.838 1.708 1.00 12.89 C ATOM 82 CG ARG A 5 7.227 3.873 0.701 1.00 15.61 C ATOM 83 CD ARG A 5 7.364 4.456 -0.692 1.00 19.09 C ATOM 84 NE ARG A 5 7.069 3.449 -1.704 1.00 22.77 N ATOM 85 CZ ARG A 5 7.970 2.767 -2.407 1.00 24.82 C ATOM 86 NH1 ARG A 5 9.277 2.934 -2.222 1.00 26.88 N ATOM 87 NH2 ARG A 5 7.550 1.881 -3.294 1.00 25.53 N ATOM 88 HA ARG A 5 5.403 3.473 2.801 1.00 0.00 H ATOM 89 HB2 ARG A 5 5.819 5.351 1.249 1.00 0.00 H ATOM 90 HB3 ARG A 5 7.440 5.564 1.951 1.00 0.00 H ATOM 91 HG2 ARG A 5 8.213 3.557 1.041 1.00 0.00 H ATOM 92 HG3 ARG A 5 6.568 3.007 0.648 1.00 0.00 H ATOM 93 HD2 ARG A 5 8.384 4.815 -0.831 1.00 0.00 H ATOM 94 HD3 ARG A 5 6.669 5.288 -0.802 1.00 0.00 H ATOM 95 HE ARG A 5 6.067 3.246 -1.893 1.00 0.00 H ATOM 96 HH12 ARG A 5 9.956 2.386 -2.787 1.00 0.00 H ATOM 97 HH11 ARG A 5 9.619 3.613 -1.512 1.00 0.00 H ATOM 98 HH22 ARG A 5 8.239 1.338 -3.853 1.00 0.00 H ATOM 99 HH21 ARG A 5 6.531 1.727 -3.433 1.00 0.00 H ATOM 100 H ARG A 5 6.170 6.123 4.013 1.00 0.00 H ATOM 101 N ALA A 6 7.322 2.154 3.647 1.00 10.80 N ATOM 102 CA ALA A 6 8.354 1.344 4.287 1.00 10.63 C ATOM 103 C ALA A 6 9.703 1.552 3.610 1.00 10.63 C ATOM 104 O ALA A 6 9.828 1.430 2.396 1.00 11.75 O ATOM 105 CB ALA A 6 7.981 -0.119 4.251 1.00 10.13 C ATOM 106 HA ALA A 6 8.433 1.662 5.327 1.00 0.00 H ATOM 107 HB1 ALA A 6 7.039 -0.265 4.779 1.00 0.00 H ATOM 108 HB2 ALA A 6 7.872 -0.439 3.215 1.00 0.00 H ATOM 109 HB3 ALA A 6 8.764 -0.704 4.733 1.00 0.00 H ATOM 110 H ALA A 6 6.554 1.678 3.132 1.00 0.00 H ATOM 111 N LEU A 7 10.705 1.884 4.409 1.00 10.68 N ATOM 112 CA LEU A 7 12.072 2.069 3.937 1.00 11.25 C ATOM 113 C LEU A 7 12.847 0.759 3.922 1.00 11.23 C ATOM 114 O LEU A 7 13.804 0.615 3.166 1.00 11.99 O ATOM 115 CB LEU A 7 12.800 3.067 4.832 1.00 11.46 C ATOM 116 CG LEU A 7 12.278 4.503 4.811 1.00 12.17 C ATOM 117 CD1 LEU A 7 12.947 5.321 5.911 1.00 12.90 C ATOM 118 CD2 LEU A 7 12.492 5.146 3.448 1.00 14.16 C ATOM 119 HA LEU A 7 12.017 2.447 2.916 1.00 0.00 H ATOM 120 HB2 LEU A 7 12.733 2.704 5.858 1.00 0.00 H ATOM 121 HB3 LEU A 7 13.845 3.089 4.524 1.00 0.00 H ATOM 122 HG LEU A 7 11.204 4.481 4.998 1.00 0.00 H ATOM 123 HD21 LEU A 7 13.557 5.159 3.217 1.00 0.00 H ATOM 124 HD22 LEU A 7 11.961 4.571 2.689 1.00 0.00 H ATOM 125 HD23 LEU A 7 12.110 6.167 3.465 1.00 0.00 H ATOM 126 HD11 LEU A 7 12.726 4.874 6.880 1.00 0.00 H ATOM 127 HD12 LEU A 7 14.025 5.330 5.751 1.00 0.00 H ATOM 128 HD13 LEU A 7 12.566 6.342 5.885 1.00 0.00 H ATOM 129 H LEU A 7 10.508 2.019 5.421 1.00 0.00 H ATOM 130 N TYR A 8 12.453 -0.172 4.791 1.00 11.05 N ATOM 131 CA TYR A 8 13.109 -1.470 4.946 1.00 11.20 C ATOM 132 C TYR A 8 12.058 -2.544 5.205 1.00 11.17 C ATOM 133 O TYR A 8 10.959 -2.243 5.653 1.00 11.58 O ATOM 134 CB TYR A 8 14.083 -1.447 6.138 1.00 11.19 C ATOM 135 CG TYR A 8 14.967 -0.224 6.171 1.00 11.20 C ATOM 136 CD1 TYR A 8 16.128 -0.164 5.408 1.00 11.67 C ATOM 137 CD2 TYR A 8 14.632 0.881 6.943 1.00 11.08 C ATOM 138 CE1 TYR A 8 16.932 0.954 5.423 1.00 12.80 C ATOM 139 CE2 TYR A 8 15.427 2.006 6.962 1.00 12.06 C ATOM 140 CZ TYR A 8 16.580 2.036 6.200 1.00 12.69 C ATOM 141 OH TYR A 8 17.382 3.151 6.205 1.00 14.43 O ATOM 142 HA TYR A 8 13.660 -1.686 4.031 1.00 0.00 H ATOM 143 HB3 TYR A 8 14.719 -2.331 6.081 1.00 0.00 H ATOM 144 HB2 TYR A 8 13.502 -1.478 7.059 1.00 0.00 H ATOM 145 HD2 TYR A 8 13.723 0.858 7.545 1.00 0.00 H ATOM 146 HE2 TYR A 8 15.149 2.865 7.573 1.00 0.00 H ATOM 147 HE1 TYR A 8 17.842 0.983 4.823 1.00 0.00 H ATOM 148 HD1 TYR A 8 16.406 -1.016 4.788 1.00 0.00 H ATOM 149 HH TYR A 8 17.701 3.323 7.126 1.00 0.00 H ATOM 150 H TYR A 8 11.632 0.037 5.394 1.00 0.00 H ATOM 151 N ASP A 9 12.396 -3.800 4.931 1.00 11.56 N ATOM 152 CA ASP A 9 11.579 -4.922 5.387 1.00 11.72 C ATOM 153 C ASP A 9 11.547 -4.901 6.908 1.00 11.19 C ATOM 154 O ASP A 9 12.576 -4.698 7.547 1.00 11.48 O ATOM 155 CB ASP A 9 12.190 -6.270 4.988 1.00 11.97 C ATOM 156 CG ASP A 9 12.241 -6.499 3.492 1.00 14.22 C ATOM 157 OD1 ASP A 9 11.575 -5.785 2.717 1.00 15.22 O ATOM 158 OD2 ASP A 9 12.937 -7.418 3.009 1.00 18.56 O ATOM 159 HA ASP A 9 10.592 -4.819 4.937 1.00 0.00 H ATOM 160 HB2 ASP A 9 13.207 -6.316 5.378 1.00 0.00 H ATOM 161 HB3 ASP A 9 11.594 -7.064 5.437 1.00 0.00 H ATOM 162 H ASP A 9 13.259 -3.988 4.381 1.00 0.00 H ATOM 163 N PHE A 10 10.375 -5.125 7.487 1.00 10.88 N ATOM 164 CA PHE A 10 10.250 -5.299 8.930 1.00 10.78 C ATOM 165 C PHE A 10 9.556 -6.630 9.201 1.00 11.30 C ATOM 166 O PHE A 10 8.476 -6.880 8.679 1.00 11.58 O ATOM 167 CB PHE A 10 9.466 -4.146 9.557 1.00 10.71 C ATOM 168 CG PHE A 10 9.103 -4.389 10.997 1.00 10.39 C ATOM 169 CD1 PHE A 10 10.087 -4.602 11.944 1.00 10.22 C ATOM 170 CD2 PHE A 10 7.779 -4.430 11.399 1.00 10.48 C ATOM 171 CE1 PHE A 10 9.760 -4.842 13.269 1.00 9.94 C ATOM 172 CE2 PHE A 10 7.448 -4.680 12.726 1.00 10.73 C ATOM 173 CZ PHE A 10 8.438 -4.888 13.657 1.00 10.21 C ATOM 174 HA PHE A 10 11.242 -5.300 9.381 1.00 0.00 H ATOM 175 HB2 PHE A 10 10.073 -3.243 9.500 1.00 0.00 H ATOM 176 HB3 PHE A 10 8.548 -4.001 8.988 1.00 0.00 H ATOM 177 HD2 PHE A 10 6.988 -4.265 10.668 1.00 0.00 H ATOM 178 HE2 PHE A 10 6.401 -4.711 13.029 1.00 0.00 H ATOM 179 HZ PHE A 10 8.179 -5.088 14.697 1.00 0.00 H ATOM 180 HE1 PHE A 10 10.549 -4.995 14.005 1.00 0.00 H ATOM 181 HD1 PHE A 10 11.135 -4.581 11.644 1.00 0.00 H ATOM 182 H PHE A 10 9.521 -5.178 6.896 1.00 0.00 H ATOM 183 N GLU A 11 10.201 -7.474 10.002 1.00 12.11 N ATOM 184 CA GLU A 11 9.656 -8.771 10.380 1.00 12.80 C ATOM 185 C GLU A 11 8.940 -8.643 11.718 1.00 12.43 C ATOM 186 O GLU A 11 9.556 -8.295 12.725 1.00 12.52 O ATOM 187 CB GLU A 11 10.785 -9.792 10.510 1.00 13.32 C ATOM 188 CG GLU A 11 10.315 -11.230 10.610 1.00 16.60 C ATOM 189 CD GLU A 11 9.862 -11.803 9.278 1.00 18.12 C ATOM 190 OE1 GLU A 11 10.385 -11.386 8.224 1.00 22.40 O ATOM 191 OE2 GLU A 11 8.974 -12.675 9.287 1.00 21.93 O ATOM 192 HA GLU A 11 8.956 -9.104 9.614 1.00 0.00 H ATOM 193 HB2 GLU A 11 11.429 -9.703 9.635 1.00 0.00 H ATOM 194 HB3 GLU A 11 11.358 -9.556 11.407 1.00 0.00 H ATOM 195 HG2 GLU A 11 11.137 -11.838 10.988 1.00 0.00 H ATOM 196 HG3 GLU A 11 9.480 -11.274 11.309 1.00 0.00 H ATOM 197 H GLU A 11 11.132 -7.197 10.373 1.00 0.00 H ATOM 198 N ALA A 12 7.648 -8.945 11.734 1.00 12.66 N ATOM 199 CA ALA A 12 6.880 -8.960 12.974 1.00 13.02 C ATOM 200 C ALA A 12 7.292 -10.179 13.787 1.00 13.07 C ATOM 201 O ALA A 12 7.229 -11.313 13.294 1.00 13.82 O ATOM 202 CB ALA A 12 5.397 -9.016 12.674 1.00 12.97 C ATOM 203 HA ALA A 12 7.080 -8.050 13.539 1.00 0.00 H ATOM 204 HB1 ALA A 12 5.113 -8.141 12.089 1.00 0.00 H ATOM 205 HB2 ALA A 12 5.176 -9.921 12.107 1.00 0.00 H ATOM 206 HB3 ALA A 12 4.838 -9.027 13.610 1.00 0.00 H ATOM 207 H ALA A 12 7.171 -9.177 10.840 1.00 0.00 H ATOM 208 N LEU A 13 7.707 -9.942 15.030 1.00 12.91 N ATOM 209 CA LEU A 13 8.145 -11.002 15.938 1.00 13.00 C ATOM 210 C LEU A 13 7.261 -11.159 17.170 1.00 14.02 C ATOM 211 O LEU A 13 7.422 -12.119 17.913 1.00 14.18 O ATOM 212 CB LEU A 13 9.584 -10.752 16.376 1.00 12.75 C ATOM 213 CG LEU A 13 10.607 -10.593 15.250 1.00 11.84 C ATOM 214 CD1 LEU A 13 11.976 -10.336 15.844 1.00 10.40 C ATOM 215 CD2 LEU A 13 10.650 -11.815 14.345 1.00 11.31 C ATOM 216 HA LEU A 13 8.069 -11.933 15.376 1.00 0.00 H ATOM 217 HB2 LEU A 13 9.598 -9.839 16.972 1.00 0.00 H ATOM 218 HB3 LEU A 13 9.896 -11.593 16.995 1.00 0.00 H ATOM 219 HG LEU A 13 10.304 -9.745 14.636 1.00 0.00 H ATOM 220 HD21 LEU A 13 10.922 -12.692 14.933 1.00 0.00 H ATOM 221 HD22 LEU A 13 9.669 -11.968 13.896 1.00 0.00 H ATOM 222 HD23 LEU A 13 11.390 -11.658 13.560 1.00 0.00 H ATOM 223 HD11 LEU A 13 11.947 -9.424 16.440 1.00 0.00 H ATOM 224 HD12 LEU A 13 12.260 -11.177 16.477 1.00 0.00 H ATOM 225 HD13 LEU A 13 12.704 -10.223 15.041 1.00 0.00 H ATOM 226 H LEU A 13 7.720 -8.959 15.370 1.00 0.00 H ATOM 227 N GLU A 14 6.342 -10.221 17.386 1.00 15.07 N ATOM 228 CA GLU A 14 5.366 -10.300 18.476 1.00 16.10 C ATOM 229 C GLU A 14 3.948 -10.141 17.923 1.00 16.63 C ATOM 230 O GLU A 14 3.750 -9.687 16.791 1.00 16.48 O ATOM 231 CB GLU A 14 5.702 -9.280 19.578 1.00 16.38 C ATOM 232 CG GLU A 14 7.079 -9.559 20.178 1.00 16.90 C ATOM 233 CD GLU A 14 7.383 -8.864 21.496 1.00 17.39 C ATOM 234 OE1 GLU A 14 6.546 -8.096 22.018 1.00 17.77 O ATOM 235 OE2 GLU A 14 8.501 -9.081 22.016 1.00 16.44 O ATOM 236 HA GLU A 14 5.417 -11.284 18.942 1.00 0.00 H ATOM 237 HB2 GLU A 14 5.695 -8.277 19.151 1.00 0.00 H ATOM 238 HB3 GLU A 14 4.950 -9.343 20.365 1.00 0.00 H ATOM 239 HG2 GLU A 14 7.161 -10.634 20.340 1.00 0.00 H ATOM 240 HG3 GLU A 14 7.829 -9.244 19.453 1.00 0.00 H ATOM 241 H GLU A 14 6.315 -9.396 16.754 1.00 0.00 H ATOM 242 N GLU A 15 2.965 -10.551 18.721 1.00 17.56 N ATOM 243 CA GLU A 15 1.577 -10.656 18.265 1.00 17.89 C ATOM 244 C GLU A 15 0.994 -9.320 17.809 1.00 16.92 C ATOM 245 O GLU A 15 0.164 -9.261 16.901 1.00 17.62 O ATOM 246 CB GLU A 15 0.717 -11.234 19.394 1.00 18.63 C ATOM 247 CG GLU A 15 -0.668 -11.691 18.981 1.00 21.75 C ATOM 248 CD GLU A 15 -0.945 -13.121 19.406 1.00 25.17 C ATOM 249 OE1 GLU A 15 -0.838 -14.026 18.551 1.00 27.95 O ATOM 250 OE2 GLU A 15 -1.257 -13.343 20.598 1.00 28.10 O ATOM 251 HA GLU A 15 1.572 -11.315 17.397 1.00 0.00 H ATOM 252 HB2 GLU A 15 1.244 -12.091 19.815 1.00 0.00 H ATOM 253 HB3 GLU A 15 0.605 -10.466 20.160 1.00 0.00 H ATOM 254 HG2 GLU A 15 -1.407 -11.037 19.443 1.00 0.00 H ATOM 255 HG3 GLU A 15 -0.752 -11.623 17.896 1.00 0.00 H ATOM 256 H GLU A 15 3.190 -10.806 19.704 1.00 0.00 H ATOM 257 N ASP A 16 1.467 -8.253 18.434 1.00 15.23 N ATOM 258 CA ASP A 16 0.952 -6.913 18.185 1.00 14.24 C ATOM 259 C ASP A 16 1.707 -6.154 17.090 1.00 13.22 C ATOM 260 O ASP A 16 1.441 -4.979 16.887 1.00 12.53 O ATOM 261 CB ASP A 16 0.948 -6.111 19.486 1.00 14.21 C ATOM 262 CG ASP A 16 2.335 -5.943 20.093 1.00 15.10 C ATOM 263 OD1 ASP A 16 3.303 -6.577 19.609 1.00 15.13 O ATOM 264 OD2 ASP A 16 2.538 -5.195 21.068 1.00 16.39 O ATOM 265 HA ASP A 16 -0.066 -7.034 17.815 1.00 0.00 H ATOM 266 HB2 ASP A 16 0.537 -5.122 19.282 1.00 0.00 H ATOM 267 HB3 ASP A 16 0.314 -6.625 20.208 1.00 0.00 H ATOM 268 H ASP A 16 2.233 -8.376 19.127 1.00 0.00 H ATOM 269 N GLU A 17 2.615 -6.826 16.382 1.00 12.18 N ATOM 270 CA GLU A 17 3.474 -6.173 15.390 1.00 11.33 C ATOM 271 C GLU A 17 2.958 -6.370 13.960 1.00 11.61 C ATOM 272 O GLU A 17 2.386 -7.409 13.629 1.00 12.09 O ATOM 273 CB GLU A 17 4.925 -6.665 15.523 1.00 11.08 C ATOM 274 CG GLU A 17 5.540 -6.270 16.856 1.00 10.36 C ATOM 275 CD GLU A 17 6.954 -6.772 17.074 1.00 10.00 C ATOM 276 OE1 GLU A 17 7.570 -7.345 16.148 1.00 11.16 O ATOM 277 OE2 GLU A 17 7.451 -6.570 18.202 1.00 11.78 O ATOM 278 HA GLU A 17 3.449 -5.102 15.593 1.00 0.00 H ATOM 279 HB2 GLU A 17 4.938 -7.752 15.437 1.00 0.00 H ATOM 280 HB3 GLU A 17 5.519 -6.231 14.719 1.00 0.00 H ATOM 281 HG2 GLU A 17 5.553 -5.182 16.915 1.00 0.00 H ATOM 282 HG3 GLU A 17 4.911 -6.669 17.652 1.00 0.00 H ATOM 283 H GLU A 17 2.717 -7.849 16.539 1.00 0.00 H ATOM 284 N LEU A 18 3.152 -5.343 13.137 1.00 11.43 N ATOM 285 CA LEU A 18 2.747 -5.339 11.734 1.00 11.31 C ATOM 286 C LEU A 18 3.969 -5.431 10.842 1.00 11.29 C ATOM 287 O LEU A 18 4.725 -4.470 10.722 1.00 11.82 O ATOM 288 CB LEU A 18 1.989 -4.053 11.400 1.00 11.19 C ATOM 289 CG LEU A 18 1.519 -3.910 9.947 1.00 12.02 C ATOM 290 CD1 LEU A 18 0.360 -4.854 9.698 1.00 13.72 C ATOM 291 CD2 LEU A 18 1.138 -2.474 9.654 1.00 12.82 C ATOM 292 HA LEU A 18 2.097 -6.198 11.564 1.00 0.00 H ATOM 293 HB2 LEU A 18 1.109 -4.007 12.042 1.00 0.00 H ATOM 294 HB3 LEU A 18 2.644 -3.211 11.624 1.00 0.00 H ATOM 295 HG LEU A 18 2.332 -4.176 9.272 1.00 0.00 H ATOM 296 HD21 LEU A 18 0.331 -2.170 10.320 1.00 0.00 H ATOM 297 HD22 LEU A 18 2.003 -1.830 9.813 1.00 0.00 H ATOM 298 HD23 LEU A 18 0.807 -2.391 8.619 1.00 0.00 H ATOM 299 HD11 LEU A 18 0.683 -5.879 9.878 1.00 0.00 H ATOM 300 HD12 LEU A 18 -0.460 -4.607 10.373 1.00 0.00 H ATOM 301 HD13 LEU A 18 0.026 -4.753 8.665 1.00 0.00 H ATOM 302 H LEU A 18 3.619 -4.494 13.515 1.00 0.00 H ATOM 303 N GLY A 19 4.155 -6.584 10.209 1.00 11.52 N ATOM 304 CA GLY A 19 5.257 -6.775 9.295 1.00 11.36 C ATOM 305 C GLY A 19 4.973 -6.130 7.957 1.00 11.39 C ATOM 306 O GLY A 19 3.823 -5.921 7.581 1.00 11.99 O ATOM 307 HA3 GLY A 19 5.417 -7.843 9.149 1.00 0.00 H ATOM 308 HA2 GLY A 19 6.155 -6.329 9.722 1.00 0.00 H ATOM 309 H GLY A 19 3.492 -7.367 10.375 1.00 0.00 H ATOM 310 N PHE A 20 6.036 -5.785 7.244 1.00 11.32 N ATOM 311 CA PHE A 20 5.908 -5.312 5.872 1.00 11.46 C ATOM 312 C PHE A 20 7.202 -5.492 5.099 1.00 12.06 C ATOM 313 O PHE A 20 8.250 -5.780 5.667 1.00 11.61 O ATOM 314 CB PHE A 20 5.419 -3.846 5.809 1.00 11.72 C ATOM 315 CG PHE A 20 6.148 -2.887 6.730 1.00 11.34 C ATOM 316 CD1 PHE A 20 7.475 -2.542 6.511 1.00 10.77 C ATOM 317 CD2 PHE A 20 5.485 -2.311 7.806 1.00 11.94 C ATOM 318 CE1 PHE A 20 8.124 -1.650 7.351 1.00 10.69 C ATOM 319 CE2 PHE A 20 6.131 -1.415 8.646 1.00 10.84 C ATOM 320 CZ PHE A 20 7.443 -1.092 8.431 1.00 10.50 C ATOM 321 HA PHE A 20 5.146 -5.928 5.394 1.00 0.00 H ATOM 322 HB2 PHE A 20 5.542 -3.492 4.786 1.00 0.00 H ATOM 323 HB3 PHE A 20 4.361 -3.830 6.073 1.00 0.00 H ATOM 324 HD2 PHE A 20 4.442 -2.566 7.993 1.00 0.00 H ATOM 325 HE2 PHE A 20 5.591 -0.967 9.480 1.00 0.00 H ATOM 326 HZ PHE A 20 7.953 -0.401 9.102 1.00 0.00 H ATOM 327 HE1 PHE A 20 9.165 -1.386 7.167 1.00 0.00 H ATOM 328 HD1 PHE A 20 8.013 -2.977 5.669 1.00 0.00 H ATOM 329 H PHE A 20 6.981 -5.853 7.673 1.00 0.00 H ATOM 330 N ARG A 21 7.102 -5.340 3.785 1.00 12.44 N ATOM 331 CA ARG A 21 8.262 -5.324 2.914 1.00 13.65 C ATOM 332 C ARG A 21 8.583 -3.884 2.539 1.00 13.42 C ATOM 333 O ARG A 21 7.697 -3.026 2.501 1.00 12.33 O ATOM 334 CB ARG A 21 7.977 -6.118 1.641 1.00 14.09 C ATOM 335 CG ARG A 21 7.673 -7.587 1.860 1.00 17.38 C ATOM 336 CD ARG A 21 7.964 -8.459 0.642 1.00 21.86 C ATOM 337 NE ARG A 21 9.383 -8.807 0.534 1.00 26.19 N ATOM 338 CZ ARG A 21 9.992 -9.772 1.230 1.00 28.43 C ATOM 339 NH1 ARG A 21 9.321 -10.521 2.104 1.00 30.04 N ATOM 340 NH2 ARG A 21 11.290 -9.991 1.048 1.00 30.19 N ATOM 341 HA ARG A 21 9.106 -5.776 3.436 1.00 0.00 H ATOM 342 HB2 ARG A 21 7.119 -5.665 1.144 1.00 0.00 H ATOM 343 HB3 ARG A 21 8.851 -6.046 0.994 1.00 0.00 H ATOM 344 HG2 ARG A 21 8.279 -7.944 2.693 1.00 0.00 H ATOM 345 HG3 ARG A 21 6.617 -7.687 2.111 1.00 0.00 H ATOM 346 HD2 ARG A 21 7.666 -7.918 -0.256 1.00 0.00 H ATOM 347 HD3 ARG A 21 7.382 -9.378 0.721 1.00 0.00 H ATOM 348 HE ARG A 21 9.961 -8.261 -0.136 1.00 0.00 H ATOM 349 HH12 ARG A 21 9.814 -11.267 2.636 1.00 0.00 H ATOM 350 HH11 ARG A 21 8.305 -10.360 2.255 1.00 0.00 H ATOM 351 HH22 ARG A 21 11.771 -10.740 1.586 1.00 0.00 H ATOM 352 HH21 ARG A 21 11.824 -9.413 0.368 1.00 0.00 H ATOM 353 H ARG A 21 6.158 -5.228 3.364 1.00 0.00 H ATOM 354 N SER A 22 9.851 -3.626 2.241 1.00 13.96 N ATOM 355 CA SER A 22 10.288 -2.335 1.722 1.00 14.48 C ATOM 356 C SER A 22 9.407 -1.883 0.555 1.00 14.25 C ATOM 357 O SER A 22 9.097 -2.671 -0.344 1.00 14.49 O ATOM 358 CB SER A 22 11.747 -2.407 1.263 1.00 14.79 C ATOM 359 OG SER A 22 12.259 -1.112 1.018 1.00 16.84 O ATOM 360 HA SER A 22 10.199 -1.608 2.529 1.00 0.00 H ATOM 361 HB2 SER A 22 11.805 -2.994 0.347 1.00 0.00 H ATOM 362 HB3 SER A 22 12.343 -2.887 2.039 1.00 0.00 H ATOM 363 HG SER A 22 12.211 -0.577 1.849 1.00 0.00 H ATOM 364 H SER A 22 10.560 -4.373 2.383 1.00 0.00 H ATOM 365 N GLY A 23 8.987 -0.625 0.600 1.00 13.64 N ATOM 366 CA GLY A 23 8.213 -0.024 -0.475 1.00 13.87 C ATOM 367 C GLY A 23 6.704 -0.107 -0.326 1.00 14.26 C ATOM 368 O GLY A 23 5.975 0.559 -1.061 1.00 14.92 O ATOM 369 HA3 GLY A 23 8.486 -0.524 -1.404 1.00 0.00 H ATOM 370 HA2 GLY A 23 8.486 1.029 -0.536 1.00 0.00 H ATOM 371 H GLY A 23 9.220 -0.048 1.434 1.00 0.00 H ATOM 372 N GLU A 24 6.243 -0.913 0.626 1.00 14.24 N ATOM 373 CA GLU A 24 4.823 -1.036 0.953 1.00 14.22 C ATOM 374 C GLU A 24 4.345 0.261 1.617 1.00 13.48 C ATOM 375 O GLU A 24 5.125 0.965 2.267 1.00 12.66 O ATOM 376 CB GLU A 24 4.644 -2.237 1.900 1.00 14.56 C ATOM 377 CG GLU A 24 3.323 -2.985 1.898 1.00 14.94 C ATOM 378 CD GLU A 24 3.503 -4.511 1.881 1.00 13.18 C ATOM 379 OE1 GLU A 24 2.713 -5.193 1.196 1.00 12.43 O ATOM 380 OE2 GLU A 24 4.423 -5.050 2.552 1.00 10.08 O ATOM 381 HA GLU A 24 4.230 -1.200 0.053 1.00 0.00 H ATOM 382 HB2 GLU A 24 5.421 -2.960 1.650 1.00 0.00 H ATOM 383 HB3 GLU A 24 4.803 -1.871 2.914 1.00 0.00 H ATOM 384 HG2 GLU A 24 2.765 -2.710 2.793 1.00 0.00 H ATOM 385 HG3 GLU A 24 2.757 -2.691 1.014 1.00 0.00 H ATOM 386 H GLU A 24 6.926 -1.484 1.164 1.00 0.00 H ATOM 387 N VAL A 25 3.069 0.582 1.446 1.00 13.10 N ATOM 388 CA VAL A 25 2.485 1.792 2.018 1.00 13.20 C ATOM 389 C VAL A 25 1.568 1.414 3.172 1.00 13.08 C ATOM 390 O VAL A 25 0.632 0.638 3.011 1.00 13.88 O ATOM 391 CB VAL A 25 1.715 2.597 0.957 1.00 13.23 C ATOM 392 CG1 VAL A 25 0.896 3.696 1.607 1.00 13.55 C ATOM 393 CG2 VAL A 25 2.693 3.177 -0.055 1.00 13.70 C ATOM 394 HA VAL A 25 3.291 2.426 2.388 1.00 0.00 H ATOM 395 HB VAL A 25 1.025 1.931 0.439 1.00 0.00 H ATOM 396 HG11 VAL A 25 0.182 3.253 2.301 1.00 0.00 H ATOM 397 HG12 VAL A 25 1.560 4.370 2.148 1.00 0.00 H ATOM 398 HG13 VAL A 25 0.360 4.252 0.837 1.00 0.00 H ATOM 399 HG21 VAL A 25 3.397 3.833 0.457 1.00 0.00 H ATOM 400 HG22 VAL A 25 3.236 2.366 -0.539 1.00 0.00 H ATOM 401 HG23 VAL A 25 2.143 3.746 -0.805 1.00 0.00 H ATOM 402 H VAL A 25 2.463 -0.050 0.885 1.00 0.00 H ATOM 403 N VAL A 26 1.878 1.953 4.345 1.00 12.41 N ATOM 404 CA VAL A 26 1.129 1.690 5.561 1.00 12.53 C ATOM 405 C VAL A 26 0.206 2.858 5.901 1.00 11.90 C ATOM 406 O VAL A 26 0.590 4.018 5.831 1.00 11.85 O ATOM 407 CB VAL A 26 2.096 1.438 6.728 1.00 12.24 C ATOM 408 CG1 VAL A 26 1.348 1.243 8.041 1.00 14.13 C ATOM 409 CG2 VAL A 26 2.988 0.239 6.434 1.00 13.11 C ATOM 410 HA VAL A 26 0.516 0.804 5.397 1.00 0.00 H ATOM 411 HB VAL A 26 2.725 2.322 6.835 1.00 0.00 H ATOM 412 HG11 VAL A 26 0.765 2.137 8.262 1.00 0.00 H ATOM 413 HG12 VAL A 26 0.681 0.385 7.954 1.00 0.00 H ATOM 414 HG13 VAL A 26 2.065 1.067 8.843 1.00 0.00 H ATOM 415 HG21 VAL A 26 2.369 -0.646 6.290 1.00 0.00 H ATOM 416 HG22 VAL A 26 3.566 0.431 5.530 1.00 0.00 H ATOM 417 HG23 VAL A 26 3.665 0.077 7.273 1.00 0.00 H ATOM 418 H VAL A 26 2.696 2.594 4.395 1.00 0.00 H ATOM 419 N GLU A 27 -1.030 2.526 6.252 1.00 11.85 N ATOM 420 CA GLU A 27 -1.963 3.476 6.826 1.00 11.88 C ATOM 421 C GLU A 27 -1.547 3.715 8.271 1.00 11.82 C ATOM 422 O GLU A 27 -1.473 2.776 9.048 1.00 12.15 O ATOM 423 CB GLU A 27 -3.372 2.892 6.774 1.00 12.49 C ATOM 424 CG GLU A 27 -4.460 3.804 7.310 1.00 13.88 C ATOM 425 CD GLU A 27 -5.776 3.080 7.494 1.00 16.19 C ATOM 426 OE1 GLU A 27 -5.864 1.905 7.108 1.00 17.75 O ATOM 427 OE2 GLU A 27 -6.726 3.691 8.024 1.00 18.31 O ATOM 428 HA GLU A 27 -1.956 4.415 6.273 1.00 0.00 H ATOM 429 HB2 GLU A 27 -3.605 2.660 5.735 1.00 0.00 H ATOM 430 HB3 GLU A 27 -3.380 1.973 7.360 1.00 0.00 H ATOM 431 HG2 GLU A 27 -4.141 4.203 8.273 1.00 0.00 H ATOM 432 HG3 GLU A 27 -4.606 4.626 6.609 1.00 0.00 H ATOM 433 H GLU A 27 -1.342 1.544 6.110 1.00 0.00 H ATOM 434 N VAL A 28 -1.239 4.958 8.609 1.00 11.25 N ATOM 435 CA VAL A 28 -0.784 5.283 9.960 1.00 11.63 C ATOM 436 C VAL A 28 -1.958 5.724 10.817 1.00 11.67 C ATOM 437 O VAL A 28 -2.638 6.698 10.499 1.00 11.92 O ATOM 438 CB VAL A 28 0.305 6.370 9.946 1.00 11.55 C ATOM 439 CG1 VAL A 28 0.798 6.654 11.363 1.00 12.74 C ATOM 440 CG2 VAL A 28 1.457 5.950 9.055 1.00 12.40 C ATOM 441 HA VAL A 28 -0.346 4.382 10.389 1.00 0.00 H ATOM 442 HB VAL A 28 -0.126 7.287 9.544 1.00 0.00 H ATOM 443 HG11 VAL A 28 -0.036 6.997 11.975 1.00 0.00 H ATOM 444 HG12 VAL A 28 1.214 5.742 11.791 1.00 0.00 H ATOM 445 HG13 VAL A 28 1.567 7.425 11.331 1.00 0.00 H ATOM 446 HG21 VAL A 28 1.886 5.021 9.431 1.00 0.00 H ATOM 447 HG22 VAL A 28 1.092 5.798 8.039 1.00 0.00 H ATOM 448 HG23 VAL A 28 2.219 6.730 9.056 1.00 0.00 H ATOM 449 H VAL A 28 -1.322 5.716 7.901 1.00 0.00 H ATOM 450 N LEU A 29 -2.157 5.004 11.920 1.00 11.82 N ATOM 451 CA LEU A 29 -3.250 5.246 12.861 1.00 12.22 C ATOM 452 C LEU A 29 -2.783 6.020 14.095 1.00 12.83 C ATOM 453 O LEU A 29 -3.483 6.918 14.552 1.00 14.47 O ATOM 454 CB LEU A 29 -3.899 3.914 13.244 1.00 12.03 C ATOM 455 CG LEU A 29 -4.686 3.308 12.073 1.00 12.04 C ATOM 456 CD1 LEU A 29 -5.079 1.874 12.370 1.00 12.31 C ATOM 457 CD2 LEU A 29 -5.916 4.150 11.764 1.00 12.75 C ATOM 458 HA LEU A 29 -3.995 5.874 12.371 1.00 0.00 H ATOM 459 HB2 LEU A 29 -3.119 3.215 13.545 1.00 0.00 H ATOM 460 HB3 LEU A 29 -4.580 4.080 14.079 1.00 0.00 H ATOM 461 HG LEU A 29 -4.041 3.306 11.194 1.00 0.00 H ATOM 462 HD21 LEU A 29 -6.560 4.186 12.643 1.00 0.00 H ATOM 463 HD22 LEU A 29 -5.606 5.160 11.497 1.00 0.00 H ATOM 464 HD23 LEU A 29 -6.460 3.704 10.931 1.00 0.00 H ATOM 465 HD11 LEU A 29 -4.181 1.279 12.535 1.00 0.00 H ATOM 466 HD12 LEU A 29 -5.703 1.847 13.263 1.00 0.00 H ATOM 467 HD13 LEU A 29 -5.635 1.469 11.525 1.00 0.00 H ATOM 468 H LEU A 29 -1.498 4.226 12.123 1.00 0.00 H ATOM 469 N ASP A 30 -1.606 5.680 14.618 1.00 12.71 N ATOM 470 CA ASP A 30 -0.957 6.481 15.657 1.00 12.58 C ATOM 471 C ASP A 30 0.491 6.761 15.307 1.00 12.45 C ATOM 472 O ASP A 30 1.241 5.843 14.996 1.00 12.17 O ATOM 473 CB ASP A 30 -0.991 5.782 17.013 1.00 12.64 C ATOM 474 CG ASP A 30 -0.243 6.559 18.082 1.00 13.50 C ATOM 475 OD1 ASP A 30 -0.662 7.699 18.362 1.00 14.75 O ATOM 476 OD2 ASP A 30 0.772 6.127 18.677 1.00 14.56 O ATOM 477 HA ASP A 30 -1.515 7.416 15.716 1.00 0.00 H ATOM 478 HB2 ASP A 30 -2.030 5.669 17.324 1.00 0.00 H ATOM 479 HB3 ASP A 30 -0.535 4.797 16.911 1.00 0.00 H ATOM 480 H ASP A 30 -1.133 4.818 14.277 1.00 0.00 H ATOM 481 N SER A 31 0.872 8.032 15.395 1.00 12.59 N ATOM 482 CA SER A 31 2.261 8.464 15.254 1.00 13.03 C ATOM 483 C SER A 31 2.757 9.286 16.458 1.00 13.00 C ATOM 484 O SER A 31 3.784 9.959 16.365 1.00 14.02 O ATOM 485 CB SER A 31 2.430 9.260 13.959 1.00 12.87 C ATOM 486 OG SER A 31 1.596 10.403 13.932 1.00 14.07 O ATOM 487 HA SER A 31 2.875 7.564 15.216 1.00 0.00 H ATOM 488 HB2 SER A 31 2.177 8.619 13.115 1.00 0.00 H ATOM 489 HB3 SER A 31 3.469 9.579 13.873 1.00 0.00 H ATOM 490 HG SER A 31 0.650 10.121 14.003 1.00 0.00 H ATOM 491 H SER A 31 0.145 8.754 15.573 1.00 0.00 H ATOM 492 N SER A 32 2.045 9.229 17.585 1.00 13.15 N ATOM 493 CA SER A 32 2.445 9.964 18.798 1.00 13.65 C ATOM 494 C SER A 32 3.524 9.251 19.624 1.00 13.31 C ATOM 495 O SER A 32 4.315 9.907 20.312 1.00 14.23 O ATOM 496 CB SER A 32 1.229 10.278 19.678 1.00 13.64 C ATOM 497 OG SER A 32 0.654 9.119 20.231 1.00 15.73 O ATOM 498 HA SER A 32 2.888 10.895 18.444 1.00 0.00 H ATOM 499 HB2 SER A 32 0.479 10.786 19.071 1.00 0.00 H ATOM 500 HB3 SER A 32 1.544 10.934 20.489 1.00 0.00 H ATOM 501 HG SER A 32 0.358 8.519 19.502 1.00 0.00 H ATOM 502 H SER A 32 1.182 8.649 17.608 1.00 0.00 H ATOM 503 N ASN A 33 3.547 7.921 19.572 1.00 12.64 N ATOM 504 CA ASN A 33 4.634 7.138 20.158 1.00 12.30 C ATOM 505 C ASN A 33 5.869 7.330 19.274 1.00 12.04 C ATOM 506 O ASN A 33 5.807 7.068 18.082 1.00 11.70 O ATOM 507 CB ASN A 33 4.195 5.668 20.236 1.00 12.16 C ATOM 508 CG ASN A 33 5.225 4.750 20.886 1.00 12.36 C ATOM 509 OD1 ASN A 33 6.427 4.935 20.747 1.00 11.41 O ATOM 510 ND2 ASN A 33 4.741 3.730 21.573 1.00 13.33 N ATOM 511 HA ASN A 33 4.877 7.461 21.170 1.00 0.00 H ATOM 512 HB2 ASN A 33 3.273 5.615 20.815 1.00 0.00 H ATOM 513 HB3 ASN A 33 4.007 5.311 19.223 1.00 0.00 H ATOM 514 HD22 ASN A 33 3.713 3.608 21.668 1.00 0.00 H ATOM 515 HD21 ASN A 33 5.389 3.049 22.019 1.00 0.00 H ATOM 516 H ASN A 33 2.766 7.423 19.099 1.00 0.00 H ATOM 517 N PRO A 34 6.977 7.825 19.817 1.00 11.53 N ATOM 518 CA PRO A 34 8.151 8.128 18.983 1.00 11.78 C ATOM 519 C PRO A 34 8.927 6.907 18.484 1.00 11.75 C ATOM 520 O PRO A 34 9.682 7.027 17.518 1.00 12.28 O ATOM 521 CB PRO A 34 9.028 8.969 19.910 1.00 11.71 C ATOM 522 CG PRO A 34 8.653 8.537 21.282 1.00 12.14 C ATOM 523 CD PRO A 34 7.198 8.184 21.233 1.00 11.67 C ATOM 524 HA PRO A 34 7.843 8.621 18.061 1.00 0.00 H ATOM 525 HD3 PRO A 34 6.979 7.340 21.888 1.00 0.00 H ATOM 526 HD2 PRO A 34 6.581 9.035 21.520 1.00 0.00 H ATOM 527 HG3 PRO A 34 8.821 9.347 21.991 1.00 0.00 H ATOM 528 HG2 PRO A 34 9.242 7.669 21.578 1.00 0.00 H ATOM 529 HB2 PRO A 34 10.084 8.775 19.721 1.00 0.00 H ATOM 530 HB3 PRO A 34 8.825 10.031 19.772 1.00 0.00 H ATOM 531 N SER A 35 8.730 5.760 19.122 1.00 11.45 N ATOM 532 CA SER A 35 9.473 4.534 18.826 1.00 11.61 C ATOM 533 C SER A 35 8.689 3.613 17.889 1.00 10.84 C ATOM 534 O SER A 35 9.210 3.127 16.880 1.00 9.87 O ATOM 535 CB SER A 35 9.751 3.779 20.131 1.00 11.98 C ATOM 536 OG SER A 35 10.602 4.521 20.980 1.00 15.44 O ATOM 537 HA SER A 35 10.404 4.819 18.336 1.00 0.00 H ATOM 538 HB2 SER A 35 10.225 2.826 19.897 1.00 0.00 H ATOM 539 HB3 SER A 35 8.807 3.597 20.645 1.00 0.00 H ATOM 540 HG SER A 35 10.763 4.010 21.812 1.00 0.00 H ATOM 541 H SER A 35 8.010 5.731 19.872 1.00 0.00 H ATOM 542 N TRP A 36 7.432 3.375 18.249 1.00 10.44 N ATOM 543 CA TRP A 36 6.562 2.429 17.564 1.00 10.44 C ATOM 544 C TRP A 36 5.257 3.095 17.155 1.00 10.53 C ATOM 545 O TRP A 36 4.499 3.560 18.002 1.00 11.05 O ATOM 546 CB TRP A 36 6.235 1.261 18.485 1.00 10.63 C ATOM 547 CG TRP A 36 7.382 0.365 18.778 1.00 10.21 C ATOM 548 CD1 TRP A 36 8.288 0.495 19.798 1.00 9.53 C ATOM 549 CD2 TRP A 36 7.733 -0.829 18.079 1.00 10.63 C ATOM 550 NE1 TRP A 36 9.183 -0.547 19.763 1.00 10.33 N ATOM 551 CE2 TRP A 36 8.871 -1.371 18.712 1.00 10.12 C ATOM 552 CE3 TRP A 36 7.196 -1.505 16.977 1.00 10.48 C ATOM 553 CZ2 TRP A 36 9.480 -2.555 18.282 1.00 11.19 C ATOM 554 CZ3 TRP A 36 7.797 -2.681 16.552 1.00 10.64 C ATOM 555 CH2 TRP A 36 8.931 -3.193 17.200 1.00 10.89 C ATOM 556 HA TRP A 36 7.086 2.076 16.676 1.00 0.00 H ATOM 557 HB2 TRP A 36 5.868 1.664 19.429 1.00 0.00 H ATOM 558 HB3 TRP A 36 5.450 0.667 18.016 1.00 0.00 H ATOM 559 HE1 TRP A 36 9.971 -0.688 20.427 1.00 0.00 H ATOM 560 HD1 TRP A 36 8.297 1.304 20.528 1.00 0.00 H ATOM 561 HZ2 TRP A 36 10.358 -2.955 18.789 1.00 0.00 H ATOM 562 HH2 TRP A 36 9.384 -4.115 16.836 1.00 0.00 H ATOM 563 HZ3 TRP A 36 7.380 -3.217 15.699 1.00 0.00 H ATOM 564 HE3 TRP A 36 6.319 -1.114 16.461 1.00 0.00 H ATOM 565 H TRP A 36 7.048 3.893 19.065 1.00 0.00 H ATOM 566 N TRP A 37 5.002 3.140 15.856 1.00 9.84 N ATOM 567 CA TRP A 37 3.735 3.636 15.325 1.00 9.84 C ATOM 568 C TRP A 37 2.740 2.498 15.146 1.00 9.71 C ATOM 569 O TRP A 37 3.126 1.341 15.036 1.00 10.02 O ATOM 570 CB TRP A 37 3.986 4.351 13.997 1.00 9.32 C ATOM 571 CG TRP A 37 4.649 5.672 14.163 1.00 10.07 C ATOM 572 CD1 TRP A 37 5.100 6.226 15.326 1.00 9.64 C ATOM 573 CD2 TRP A 37 4.926 6.619 13.140 1.00 10.75 C ATOM 574 NE1 TRP A 37 5.644 7.462 15.087 1.00 11.20 N ATOM 575 CE2 TRP A 37 5.549 7.729 13.747 1.00 11.43 C ATOM 576 CE3 TRP A 37 4.714 6.644 11.759 1.00 11.39 C ATOM 577 CZ2 TRP A 37 5.951 8.850 13.026 1.00 12.69 C ATOM 578 CZ3 TRP A 37 5.112 7.754 11.044 1.00 13.15 C ATOM 579 CH2 TRP A 37 5.723 8.844 11.678 1.00 12.66 C ATOM 580 HA TRP A 37 3.304 4.342 16.035 1.00 0.00 H ATOM 581 HB2 TRP A 37 4.621 3.719 13.377 1.00 0.00 H ATOM 582 HB3 TRP A 37 3.029 4.503 13.498 1.00 0.00 H ATOM 583 HE1 TRP A 37 6.059 8.091 15.803 1.00 0.00 H ATOM 584 HD1 TRP A 37 5.037 5.753 16.306 1.00 0.00 H ATOM 585 HZ2 TRP A 37 6.428 9.698 13.516 1.00 0.00 H ATOM 586 HH2 TRP A 37 6.023 9.707 11.083 1.00 0.00 H ATOM 587 HZ3 TRP A 37 4.948 7.784 9.967 1.00 0.00 H ATOM 588 HE3 TRP A 37 4.242 5.800 11.255 1.00 0.00 H ATOM 589 H TRP A 37 5.730 2.810 15.190 1.00 0.00 H ATOM 590 N THR A 38 1.452 2.827 15.168 1.00 10.22 N ATOM 591 CA THR A 38 0.381 1.856 14.948 1.00 10.76 C ATOM 592 C THR A 38 -0.178 2.095 13.561 1.00 10.84 C ATOM 593 O THR A 38 -0.388 3.235 13.177 1.00 11.44 O ATOM 594 CB THR A 38 -0.726 2.051 15.979 1.00 10.87 C ATOM 595 OG1 THR A 38 -0.203 1.811 17.291 1.00 12.44 O ATOM 596 CG2 THR A 38 -1.840 1.008 15.811 1.00 11.02 C ATOM 597 HA THR A 38 0.768 0.842 15.044 1.00 0.00 H ATOM 598 HB THR A 38 -1.105 3.064 15.843 1.00 0.00 H ATOM 599 HG1 THR A 38 0.534 2.447 17.473 1.00 0.00 H ATOM 600 HG23 THR A 38 -2.297 1.121 14.828 1.00 0.00 H ATOM 601 HG21 THR A 38 -1.417 0.008 15.903 1.00 0.00 H ATOM 602 HG22 THR A 38 -2.595 1.157 16.583 1.00 0.00 H ATOM 603 H THR A 38 1.195 3.818 15.350 1.00 0.00 H ATOM 604 N GLY A 39 -0.417 1.029 12.815 1.00 11.08 N ATOM 605 CA GLY A 39 -0.893 1.176 11.456 1.00 11.43 C ATOM 606 C GLY A 39 -1.567 -0.059 10.919 1.00 11.79 C ATOM 607 O GLY A 39 -1.795 -1.038 11.633 1.00 11.24 O ATOM 608 HA3 GLY A 39 -0.043 1.411 10.816 1.00 0.00 H ATOM 609 HA2 GLY A 39 -1.607 1.999 11.427 1.00 0.00 H ATOM 610 H GLY A 39 -0.262 0.079 13.208 1.00 0.00 H ATOM 611 N ARG A 40 -1.883 0.000 9.631 1.00 12.66 N ATOM 612 CA ARG A 40 -2.639 -1.041 8.985 1.00 13.66 C ATOM 613 C ARG A 40 -2.090 -1.326 7.601 1.00 14.49 C ATOM 614 O ARG A 40 -1.691 -0.414 6.884 1.00 14.71 O ATOM 615 CB ARG A 40 -4.095 -0.619 8.889 1.00 13.72 C ATOM 616 CG ARG A 40 -5.070 -1.721 8.539 1.00 13.36 C ATOM 617 CD ARG A 40 -6.453 -1.509 9.111 1.00 11.67 C ATOM 618 NE ARG A 40 -6.948 -0.143 8.929 1.00 8.22 N ATOM 619 CZ ARG A 40 -8.187 0.237 9.230 1.00 6.66 C ATOM 620 NH1 ARG A 40 -9.050 -0.630 9.740 1.00 7.23 N ATOM 621 NH2 ARG A 40 -8.563 1.491 9.028 1.00 7.46 N ATOM 622 HA ARG A 40 -2.559 -1.953 9.577 1.00 0.00 H ATOM 623 HB2 ARG A 40 -4.389 -0.204 9.853 1.00 0.00 H ATOM 624 HB3 ARG A 40 -4.171 0.153 8.124 1.00 0.00 H ATOM 625 HG2 ARG A 40 -5.151 -1.778 7.454 1.00 0.00 H ATOM 626 HG3 ARG A 40 -4.678 -2.663 8.923 1.00 0.00 H ATOM 627 HD2 ARG A 40 -6.424 -1.728 10.178 1.00 0.00 H ATOM 628 HD3 ARG A 40 -7.141 -2.196 8.618 1.00 0.00 H ATOM 629 HE ARG A 40 -6.295 0.569 8.543 1.00 0.00 H ATOM 630 HH12 ARG A 40 -10.017 -0.326 9.973 1.00 0.00 H ATOM 631 HH11 ARG A 40 -8.760 -1.615 9.907 1.00 0.00 H ATOM 632 HH22 ARG A 40 -9.532 1.788 9.263 1.00 0.00 H ATOM 633 HH21 ARG A 40 -7.890 2.179 8.634 1.00 0.00 H ATOM 634 H ARG A 40 -1.576 0.822 9.073 1.00 0.00 H ATOM 635 N LEU A 41 -2.083 -2.613 7.270 1.00 15.82 N ATOM 636 CA LEU A 41 -1.696 -3.124 5.964 1.00 17.25 C ATOM 637 C LEU A 41 -2.365 -4.494 5.775 1.00 18.11 C ATOM 638 O LEU A 41 -2.351 -5.317 6.686 1.00 19.30 O ATOM 639 CB LEU A 41 -0.179 -3.261 5.928 1.00 17.24 C ATOM 640 CG LEU A 41 0.491 -3.778 4.666 1.00 17.34 C ATOM 641 CD1 LEU A 41 0.362 -2.754 3.556 1.00 18.29 C ATOM 642 CD2 LEU A 41 1.948 -4.108 4.984 1.00 18.59 C ATOM 643 HA LEU A 41 -2.009 -2.453 5.164 1.00 0.00 H ATOM 644 HB2 LEU A 41 0.235 -2.272 6.126 1.00 0.00 H ATOM 645 HB3 LEU A 41 0.099 -3.938 6.736 1.00 0.00 H ATOM 646 HG LEU A 41 0.004 -4.689 4.317 1.00 0.00 H ATOM 647 HD21 LEU A 41 2.456 -3.208 5.331 1.00 0.00 H ATOM 648 HD22 LEU A 41 1.985 -4.870 5.762 1.00 0.00 H ATOM 649 HD23 LEU A 41 2.439 -4.480 4.085 1.00 0.00 H ATOM 650 HD11 LEU A 41 -0.693 -2.570 3.354 1.00 0.00 H ATOM 651 HD12 LEU A 41 0.842 -1.825 3.863 1.00 0.00 H ATOM 652 HD13 LEU A 41 0.845 -3.133 2.656 1.00 0.00 H ATOM 653 H LEU A 41 -2.374 -3.301 7.993 1.00 0.00 H ATOM 654 N HIS A 42 -2.944 -4.736 4.603 1.00 20.10 N ATOM 655 CA HIS A 42 -3.676 -5.976 4.321 1.00 20.98 C ATOM 656 C HIS A 42 -4.846 -6.151 5.297 1.00 21.21 C ATOM 657 O HIS A 42 -5.167 -7.267 5.714 1.00 21.70 O ATOM 658 CB HIS A 42 -2.730 -7.191 4.338 1.00 21.25 C ATOM 659 CG HIS A 42 -1.529 -7.026 3.459 1.00 23.05 C ATOM 660 ND1 HIS A 42 -0.251 -6.896 3.956 1.00 24.92 N ATOM 661 CD2 HIS A 42 -1.417 -6.945 2.112 1.00 23.65 C ATOM 662 CE1 HIS A 42 0.597 -6.750 2.954 1.00 24.99 C ATOM 663 NE2 HIS A 42 -0.085 -6.778 1.823 1.00 25.05 N ATOM 664 HA HIS A 42 -4.095 -5.907 3.317 1.00 0.00 H ATOM 665 HB2 HIS A 42 -2.390 -7.349 5.361 1.00 0.00 H ATOM 666 HB3 HIS A 42 -3.286 -8.066 4.002 1.00 0.00 H ATOM 667 HD2 HIS A 42 -2.233 -7.002 1.391 1.00 0.00 H ATOM 668 HE1 HIS A 42 1.676 -6.627 3.045 1.00 0.00 H ATOM 669 H HIS A 42 -2.875 -4.017 3.855 1.00 0.00 H ATOM 670 N ASN A 43 -5.475 -5.022 5.639 1.00 21.35 N ATOM 671 CA ASN A 43 -6.530 -4.939 6.657 1.00 21.20 C ATOM 672 C ASN A 43 -6.100 -5.436 8.041 1.00 20.81 C ATOM 673 O ASN A 43 -6.937 -5.622 8.922 1.00 21.20 O ATOM 674 CB ASN A 43 -7.799 -5.658 6.182 1.00 21.71 C ATOM 675 CG ASN A 43 -8.282 -5.147 4.840 1.00 22.31 C ATOM 676 OD1 ASN A 43 -8.450 -3.941 4.648 1.00 24.55 O ATOM 677 ND2 ASN A 43 -8.492 -6.058 3.898 1.00 24.22 N ATOM 678 HA ASN A 43 -6.745 -3.878 6.781 1.00 0.00 H ATOM 679 HB2 ASN A 43 -7.587 -6.724 6.096 1.00 0.00 H ATOM 680 HB3 ASN A 43 -8.586 -5.504 6.920 1.00 0.00 H ATOM 681 HD22 ASN A 43 -8.337 -7.065 4.105 1.00 0.00 H ATOM 682 HD21 ASN A 43 -8.811 -5.765 2.953 1.00 0.00 H ATOM 683 H ASN A 43 -5.199 -4.145 5.152 1.00 0.00 H ATOM 684 N LYS A 44 -4.790 -5.609 8.226 1.00 20.13 N ATOM 685 CA LYS A 44 -4.214 -6.112 9.471 1.00 19.61 C ATOM 686 C LYS A 44 -3.640 -4.946 10.257 1.00 17.90 C ATOM 687 O LYS A 44 -3.000 -4.073 9.686 1.00 17.28 O ATOM 688 CB LYS A 44 -3.077 -7.111 9.204 1.00 20.34 C ATOM 689 CG LYS A 44 -3.388 -8.194 8.190 1.00 22.54 C ATOM 690 CD LYS A 44 -4.700 -8.877 8.509 1.00 24.33 C ATOM 691 CE LYS A 44 -4.863 -10.166 7.734 1.00 25.67 C ATOM 692 NZ LYS A 44 -6.268 -10.646 7.808 1.00 26.98 N ATOM 693 HA LYS A 44 -5.005 -6.617 10.026 1.00 0.00 H ATOM 694 HB2 LYS A 44 -2.214 -6.551 8.844 1.00 0.00 H ATOM 695 HB3 LYS A 44 -2.826 -7.595 10.148 1.00 0.00 H ATOM 696 HG2 LYS A 44 -3.451 -7.746 7.198 1.00 0.00 H ATOM 697 HG3 LYS A 44 -2.588 -8.935 8.203 1.00 0.00 H ATOM 698 HD2 LYS A 44 -4.733 -9.099 9.576 1.00 0.00 H ATOM 699 HD3 LYS A 44 -5.520 -8.205 8.254 1.00 0.00 H ATOM 700 HE2 LYS A 44 -4.202 -10.924 8.155 1.00 0.00 H ATOM 701 HE3 LYS A 44 -4.597 -9.993 6.691 1.00 0.00 H ATOM 702 HZ1 LYS A 44 -6.523 -10.815 8.802 1.00 0.00 H ATOM 703 HZ2 LYS A 44 -6.901 -9.926 7.404 1.00 0.00 H ATOM 704 HZ3 LYS A 44 -6.359 -11.531 7.270 1.00 0.00 H ATOM 705 H LYS A 44 -4.146 -5.374 7.444 1.00 0.00 H ATOM 706 N LEU A 45 -3.850 -4.974 11.567 1.00 16.74 N ATOM 707 CA LEU A 45 -3.382 -3.936 12.479 1.00 15.69 C ATOM 708 C LEU A 45 -2.114 -4.385 13.173 1.00 14.22 C ATOM 709 O LEU A 45 -1.967 -5.555 13.533 1.00 14.09 O ATOM 710 CB LEU A 45 -4.407 -3.683 13.588 1.00 16.10 C ATOM 711 CG LEU A 45 -5.688 -2.908 13.314 1.00 17.93 C ATOM 712 CD1 LEU A 45 -6.614 -3.098 14.500 1.00 18.57 C ATOM 713 CD2 LEU A 45 -5.384 -1.439 13.097 1.00 18.25 C ATOM 714 HA LEU A 45 -3.219 -3.037 11.884 1.00 0.00 H ATOM 715 HB2 LEU A 45 -4.711 -4.662 13.958 1.00 0.00 H ATOM 716 HB3 LEU A 45 -3.882 -3.145 14.377 1.00 0.00 H ATOM 717 HG LEU A 45 -6.166 -3.279 12.407 1.00 0.00 H ATOM 718 HD21 LEU A 45 -4.907 -1.032 13.989 1.00 0.00 H ATOM 719 HD22 LEU A 45 -4.714 -1.330 12.244 1.00 0.00 H ATOM 720 HD23 LEU A 45 -6.312 -0.902 12.903 1.00 0.00 H ATOM 721 HD11 LEU A 45 -6.834 -4.159 14.621 1.00 0.00 H ATOM 722 HD12 LEU A 45 -6.131 -2.720 15.401 1.00 0.00 H ATOM 723 HD13 LEU A 45 -7.541 -2.551 14.327 1.00 0.00 H ATOM 724 H LEU A 45 -4.376 -5.778 11.964 1.00 0.00 H ATOM 725 N GLY A 46 -1.215 -3.443 13.411 1.00 12.44 N ATOM 726 CA GLY A 46 -0.085 -3.730 14.264 1.00 11.66 C ATOM 727 C GLY A 46 0.827 -2.548 14.478 1.00 11.09 C ATOM 728 O GLY A 46 0.651 -1.480 13.888 1.00 10.79 O ATOM 729 HA3 GLY A 46 0.494 -4.534 13.810 1.00 0.00 H ATOM 730 HA2 GLY A 46 -0.460 -4.056 15.234 1.00 0.00 H ATOM 731 H GLY A 46 -1.322 -2.500 12.986 1.00 0.00 H ATOM 732 N LEU A 47 1.804 -2.751 15.352 1.00 10.45 N ATOM 733 CA LEU A 47 2.813 -1.751 15.650 1.00 10.56 C ATOM 734 C LEU A 47 4.047 -2.032 14.805 1.00 9.83 C ATOM 735 O LEU A 47 4.376 -3.185 14.525 1.00 10.32 O ATOM 736 CB LEU A 47 3.170 -1.792 17.133 1.00 10.75 C ATOM 737 CG LEU A 47 2.051 -1.289 18.052 1.00 12.70 C ATOM 738 CD1 LEU A 47 1.793 -2.274 19.178 1.00 14.35 C ATOM 739 CD2 LEU A 47 2.394 0.074 18.614 1.00 13.94 C ATOM 740 HA LEU A 47 2.427 -0.758 15.417 1.00 0.00 H ATOM 741 HB2 LEU A 47 3.400 -2.823 17.403 1.00 0.00 H ATOM 742 HB3 LEU A 47 4.051 -1.171 17.292 1.00 0.00 H ATOM 743 HG LEU A 47 1.141 -1.201 17.458 1.00 0.00 H ATOM 744 HD21 LEU A 47 3.319 0.007 19.187 1.00 0.00 H ATOM 745 HD22 LEU A 47 2.523 0.781 17.795 1.00 0.00 H ATOM 746 HD23 LEU A 47 1.586 0.412 19.263 1.00 0.00 H ATOM 747 HD11 LEU A 47 1.497 -3.235 18.758 1.00 0.00 H ATOM 748 HD12 LEU A 47 2.702 -2.398 19.766 1.00 0.00 H ATOM 749 HD13 LEU A 47 0.995 -1.894 19.816 1.00 0.00 H ATOM 750 H LEU A 47 1.849 -3.666 15.845 1.00 0.00 H ATOM 751 N PHE A 48 4.747 -0.972 14.427 1.00 9.62 N ATOM 752 CA PHE A 48 5.965 -1.098 13.632 1.00 9.16 C ATOM 753 C PHE A 48 6.916 0.057 13.968 1.00 9.22 C ATOM 754 O PHE A 48 6.484 1.093 14.491 1.00 9.07 O ATOM 755 CB PHE A 48 5.619 -1.087 12.141 1.00 9.17 C ATOM 756 CG PHE A 48 4.910 0.163 11.703 1.00 9.29 C ATOM 757 CD1 PHE A 48 5.633 1.268 11.275 1.00 9.80 C ATOM 758 CD2 PHE A 48 3.530 0.252 11.750 1.00 10.19 C ATOM 759 CE1 PHE A 48 4.997 2.429 10.905 1.00 10.83 C ATOM 760 CE2 PHE A 48 2.888 1.417 11.380 1.00 10.23 C ATOM 761 CZ PHE A 48 3.623 2.507 10.947 1.00 10.76 C ATOM 762 HA PHE A 48 6.456 -2.042 13.867 1.00 0.00 H ATOM 763 HB2 PHE A 48 6.543 -1.178 11.571 1.00 0.00 H ATOM 764 HB3 PHE A 48 4.977 -1.942 11.929 1.00 0.00 H ATOM 765 HD2 PHE A 48 2.944 -0.605 12.082 1.00 0.00 H ATOM 766 HE2 PHE A 48 1.801 1.478 11.429 1.00 0.00 H ATOM 767 HZ PHE A 48 3.117 3.422 10.641 1.00 0.00 H ATOM 768 HE1 PHE A 48 5.581 3.289 10.578 1.00 0.00 H ATOM 769 HD1 PHE A 48 6.721 1.214 11.232 1.00 0.00 H ATOM 770 H PHE A 48 4.420 -0.025 14.704 1.00 0.00 H ATOM 771 N PRO A 49 8.209 -0.092 13.678 1.00 9.42 N ATOM 772 CA PRO A 49 9.167 0.967 14.003 1.00 9.79 C ATOM 773 C PRO A 49 8.957 2.247 13.198 1.00 9.70 C ATOM 774 O PRO A 49 8.891 2.221 11.965 1.00 9.55 O ATOM 775 CB PRO A 49 10.520 0.328 13.680 1.00 10.01 C ATOM 776 CG PRO A 49 10.256 -1.127 13.641 1.00 10.29 C ATOM 777 CD PRO A 49 8.883 -1.266 13.097 1.00 10.01 C ATOM 778 HA PRO A 49 9.068 1.293 15.038 1.00 0.00 H ATOM 779 HD3 PRO A 49 8.881 -1.226 12.008 1.00 0.00 H ATOM 780 HD2 PRO A 49 8.417 -2.195 13.426 1.00 0.00 H ATOM 781 HG3 PRO A 49 10.314 -1.552 14.643 1.00 0.00 H ATOM 782 HG2 PRO A 49 10.975 -1.628 12.993 1.00 0.00 H ATOM 783 HB2 PRO A 49 10.888 0.677 12.715 1.00 0.00 H ATOM 784 HB3 PRO A 49 11.250 0.565 14.454 1.00 0.00 H ATOM 785 N ALA A 50 8.855 3.370 13.898 1.00 10.31 N ATOM 786 CA ALA A 50 8.732 4.668 13.245 1.00 10.48 C ATOM 787 C ALA A 50 9.897 4.912 12.290 1.00 10.07 C ATOM 788 O ALA A 50 9.729 5.507 11.221 1.00 10.39 O ATOM 789 CB ALA A 50 8.661 5.772 14.277 1.00 10.69 C ATOM 790 HA ALA A 50 7.810 4.669 12.664 1.00 0.00 H ATOM 791 HB1 ALA A 50 7.794 5.613 14.918 1.00 0.00 H ATOM 792 HB2 ALA A 50 9.568 5.762 14.881 1.00 0.00 H ATOM 793 HB3 ALA A 50 8.569 6.734 13.773 1.00 0.00 H ATOM 794 H ALA A 50 8.863 3.323 14.937 1.00 0.00 H ATOM 795 N ASN A 51 11.079 4.442 12.677 1.00 9.98 N ATOM 796 CA ASN A 51 12.287 4.661 11.892 1.00 9.80 C ATOM 797 C ASN A 51 12.367 3.751 10.660 1.00 10.04 C ATOM 798 O ASN A 51 13.264 3.906 9.839 1.00 10.19 O ATOM 799 CB ASN A 51 13.543 4.531 12.776 1.00 9.70 C ATOM 800 CG ASN A 51 13.767 3.122 13.284 1.00 9.28 C ATOM 801 OD1 ASN A 51 12.905 2.543 13.944 1.00 9.25 O ATOM 802 ND2 ASN A 51 14.926 2.559 12.976 1.00 10.28 N ATOM 803 HA ASN A 51 12.240 5.681 11.511 1.00 0.00 H ATOM 804 HB2 ASN A 51 14.412 4.832 12.191 1.00 0.00 H ATOM 805 HB3 ASN A 51 13.435 5.196 13.633 1.00 0.00 H ATOM 806 HD22 ASN A 51 15.627 3.085 12.416 1.00 0.00 H ATOM 807 HD21 ASN A 51 15.135 1.591 13.295 1.00 0.00 H ATOM 808 H ASN A 51 11.143 3.903 13.564 1.00 0.00 H ATOM 809 N TYR A 52 11.431 2.814 10.530 1.00 10.15 N ATOM 810 CA TYR A 52 11.371 1.955 9.351 1.00 9.92 C ATOM 811 C TYR A 52 10.470 2.500 8.242 1.00 10.14 C ATOM 812 O TYR A 52 10.360 1.871 7.197 1.00 10.02 O ATOM 813 CB TYR A 52 10.934 0.541 9.737 1.00 9.51 C ATOM 814 CG TYR A 52 12.086 -0.377 10.103 1.00 9.14 C ATOM 815 CD1 TYR A 52 12.995 -0.029 11.096 1.00 9.04 C ATOM 816 CD2 TYR A 52 12.263 -1.595 9.464 1.00 9.88 C ATOM 817 CE1 TYR A 52 14.053 -0.859 11.429 1.00 8.94 C ATOM 818 CE2 TYR A 52 13.323 -2.433 9.793 1.00 9.57 C ATOM 819 CZ TYR A 52 14.212 -2.065 10.773 1.00 10.60 C ATOM 820 OH TYR A 52 15.254 -2.921 11.081 1.00 11.31 O ATOM 821 HA TYR A 52 12.382 1.930 8.945 1.00 0.00 H ATOM 822 HB3 TYR A 52 10.400 0.104 8.893 1.00 0.00 H ATOM 823 HB2 TYR A 52 10.263 0.610 10.594 1.00 0.00 H ATOM 824 HD2 TYR A 52 11.559 -1.901 8.690 1.00 0.00 H ATOM 825 HE2 TYR A 52 13.448 -3.383 9.273 1.00 0.00 H ATOM 826 HE1 TYR A 52 14.758 -0.562 12.206 1.00 0.00 H ATOM 827 HD1 TYR A 52 12.873 0.917 11.624 1.00 0.00 H ATOM 828 HH TYR A 52 15.805 -2.522 11.800 1.00 0.00 H ATOM 829 H TYR A 52 10.727 2.691 11.285 1.00 0.00 H ATOM 830 N VAL A 53 9.838 3.650 8.456 1.00 10.12 N ATOM 831 CA VAL A 53 9.008 4.266 7.421 1.00 11.13 C ATOM 832 C VAL A 53 9.348 5.736 7.223 1.00 11.73 C ATOM 833 O VAL A 53 9.953 6.367 8.086 1.00 11.82 O ATOM 834 CB VAL A 53 7.493 4.127 7.723 1.00 10.97 C ATOM 835 CG1 VAL A 53 7.109 2.664 7.911 1.00 11.14 C ATOM 836 CG2 VAL A 53 7.083 4.940 8.942 1.00 9.80 C ATOM 837 HA VAL A 53 9.229 3.724 6.502 1.00 0.00 H ATOM 838 HB VAL A 53 6.956 4.523 6.862 1.00 0.00 H ATOM 839 HG11 VAL A 53 7.338 2.110 7.001 1.00 0.00 H ATOM 840 HG12 VAL A 53 7.673 2.246 8.745 1.00 0.00 H ATOM 841 HG13 VAL A 53 6.042 2.594 8.122 1.00 0.00 H ATOM 842 HG21 VAL A 53 7.639 4.593 9.813 1.00 0.00 H ATOM 843 HG22 VAL A 53 7.302 5.993 8.765 1.00 0.00 H ATOM 844 HG23 VAL A 53 6.015 4.815 9.118 1.00 0.00 H ATOM 845 H VAL A 53 9.936 4.121 9.378 1.00 0.00 H ATOM 846 N ALA A 54 8.945 6.260 6.068 1.00 12.58 N ATOM 847 CA ALA A 54 9.063 7.674 5.737 1.00 13.35 C ATOM 848 C ALA A 54 7.654 8.197 5.494 1.00 14.52 C ATOM 849 O ALA A 54 6.984 7.736 4.567 1.00 13.49 O ATOM 850 CB ALA A 54 9.908 7.850 4.489 1.00 13.79 C ATOM 851 HA ALA A 54 9.545 8.222 6.547 1.00 0.00 H ATOM 852 HB1 ALA A 54 10.902 7.439 4.664 1.00 0.00 H ATOM 853 HB2 ALA A 54 9.438 7.326 3.657 1.00 0.00 H ATOM 854 HB3 ALA A 54 9.988 8.911 4.253 1.00 0.00 H ATOM 855 H ALA A 54 8.522 5.624 5.362 1.00 0.00 H ATOM 856 N PRO A 55 7.175 9.115 6.332 1.00 16.36 N ATOM 857 CA PRO A 55 5.859 9.719 6.119 1.00 17.71 C ATOM 858 C PRO A 55 5.730 10.281 4.709 1.00 19.29 C ATOM 859 O PRO A 55 6.699 10.818 4.169 1.00 18.81 O ATOM 860 CB PRO A 55 5.822 10.845 7.156 1.00 17.84 C ATOM 861 CG PRO A 55 6.704 10.382 8.229 1.00 17.34 C ATOM 862 CD PRO A 55 7.819 9.642 7.548 1.00 16.52 C ATOM 863 HA PRO A 55 5.043 9.005 6.225 1.00 0.00 H ATOM 864 HD3 PRO A 55 8.639 10.314 7.297 1.00 0.00 H ATOM 865 HD2 PRO A 55 8.193 8.833 8.175 1.00 0.00 H ATOM 866 HG3 PRO A 55 6.165 9.719 8.905 1.00 0.00 H ATOM 867 HG2 PRO A 55 7.097 11.230 8.790 1.00 0.00 H ATOM 868 HB2 PRO A 55 6.192 11.777 6.727 1.00 0.00 H ATOM 869 HB3 PRO A 55 4.808 10.995 7.527 1.00 0.00 H ATOM 870 N MET A 56 4.551 10.130 4.119 1.00 21.18 N ATOM 871 CA MET A 56 4.278 10.643 2.788 1.00 23.15 C ATOM 872 C MET A 56 3.457 11.916 2.943 1.00 24.92 C ATOM 873 O MET A 56 2.285 11.864 3.319 1.00 25.67 O ATOM 874 CB MET A 56 3.534 9.591 1.967 1.00 22.99 C ATOM 875 CG MET A 56 4.311 8.273 1.830 1.00 22.97 C ATOM 876 SD MET A 56 3.397 6.795 1.323 1.00 22.45 S ATOM 877 CE MET A 56 2.000 7.040 1.889 1.00 24.80 C ATOM 878 HA MET A 56 5.203 10.870 2.257 1.00 0.00 H ATOM 879 HB2 MET A 56 2.580 9.383 2.452 1.00 0.00 H ATOM 880 HB3 MET A 56 3.353 9.993 0.970 1.00 0.00 H ATOM 881 HG2 MET A 56 4.761 8.059 2.800 1.00 0.00 H ATOM 882 HG3 MET A 56 5.098 8.436 1.094 1.00 0.00 H ATOM 883 HE1 MET A 56 2.061 7.143 2.972 1.00 0.00 H ATOM 884 HE2 MET A 56 1.590 7.954 1.459 1.00 0.00 H ATOM 885 HE3 MET A 56 1.355 6.198 1.639 1.00 0.00 H ATOM 886 H MET A 56 3.796 9.627 4.627 1.00 0.00 H ATOM 887 N MET A 57 4.104 13.054 2.701 1.00 26.91 N ATOM 888 CA MET A 57 3.447 14.362 2.718 1.00 28.15 C ATOM 889 C MET A 57 4.356 15.436 2.122 1.00 28.50 C ATOM 890 O MET A 57 5.531 15.547 2.479 1.00 29.11 O ATOM 891 CB MET A 57 3.035 14.761 4.142 1.00 28.82 C ATOM 892 CG MET A 57 4.131 14.622 5.197 1.00 30.66 C ATOM 893 SD MET A 57 3.697 13.472 6.528 1.00 35.30 S ATOM 894 CE MET A 57 2.384 14.371 7.348 1.00 35.19 C ATOM 895 HA MET A 57 2.547 14.282 2.108 1.00 0.00 H ATOM 896 HB2 MET A 57 2.716 15.803 4.122 1.00 0.00 H ATOM 897 HB3 MET A 57 2.197 14.131 4.440 1.00 0.00 H ATOM 898 HG2 MET A 57 4.319 15.603 5.634 1.00 0.00 H ATOM 899 HG3 MET A 57 5.038 14.263 4.710 1.00 0.00 H ATOM 900 HE1 MET A 57 2.768 15.326 7.707 1.00 0.00 H ATOM 901 HE2 MET A 57 1.571 14.547 6.644 1.00 0.00 H ATOM 902 HE3 MET A 57 2.016 13.786 8.191 1.00 0.00 H ATOM 903 H MET A 57 5.122 13.012 2.490 1.00 0.00 H TER 904 MET A 57 HETATM 905 O HOH 1 -1.083 9.891 12.707 1.00 30.21 O HETATM 906 O HOH 2 6.287 -14.752 11.033 1.00 22.19 O HETATM 907 O HOH 3 -0.217 -8.561 9.976 1.00 24.91 O HETATM 908 O HOH 4 15.485 2.808 2.276 1.00 31.08 O HETATM 909 O HOH 5 15.373 -1.251 2.060 1.00 29.84 O HETATM 910 O HOH 6 17.264 5.159 7.927 1.00 14.23 O HETATM 911 O HOH 7 11.717 -6.441 0.093 1.00 27.87 O HETATM 912 O HOH 8 15.363 -4.349 3.893 1.00 30.14 O HETATM 913 O HOH 9 7.518 -8.939 7.098 1.00 23.57 O HETATM 914 O HOH 10 12.947 -6.933 11.087 1.00 26.24 O HETATM 915 O HOH 11 8.555 -13.460 11.834 1.00 20.67 O HETATM 916 O HOH 12 9.526 -15.051 8.363 1.00 26.23 O HETATM 917 O HOH 13 11.920 -7.356 13.766 1.00 12.00 O HETATM 918 O HOH 14 6.442 -10.411 9.370 1.00 18.84 O HETATM 919 O HOH 15 3.569 -6.162 23.232 1.00 31.18 O HETATM 920 O HOH 16 0.726 -3.688 22.275 1.00 20.23 O HETATM 921 O HOH 17 10.291 10.250 9.885 1.00 20.38 O HETATM 922 O HOH 18 2.304 -8.961 10.732 1.00 26.34 O HETATM 923 O HOH 19 1.776 -7.652 7.246 1.00 31.51 O HETATM 924 O HOH 20 5.581 -8.754 5.239 1.00 30.50 O HETATM 925 O HOH 21 6.924 -3.293 -2.160 1.00 33.73 O HETATM 926 O HOH 22 10.191 -4.991 -1.398 1.00 27.33 O HETATM 927 O HOH 23 1.361 -1.128 -0.371 1.00 16.70 O HETATM 928 O HOH 24 3.091 -2.719 -2.303 1.00 29.97 O HETATM 929 O HOH 25 3.832 -7.527 3.517 1.00 24.13 O HETATM 930 O HOH 26 -1.807 -0.232 2.959 1.00 22.62 O HETATM 931 O HOH 27 -6.828 6.241 8.801 1.00 22.19 O HETATM 932 O HOH 28 -8.193 1.340 5.931 1.00 28.29 O HETATM 933 O HOH 29 -5.174 0.386 5.102 1.00 24.69 O HETATM 934 O HOH 30 -2.884 8.888 17.843 1.00 37.61 O HETATM 935 O HOH 31 1.701 3.582 18.395 1.00 11.53 O HETATM 936 O HOH 32 -1.095 10.167 16.227 1.00 23.77 O HETATM 937 O HOH 33 5.309 12.304 20.563 1.00 26.90 O HETATM 938 O HOH 34 10.586 8.978 16.035 1.00 15.04 O HETATM 939 O HOH 35 12.463 6.753 18.779 1.00 31.35 O HETATM 940 O HOH 36 -9.917 3.365 10.797 1.00 17.68 O HETATM 941 O HOH 37 -5.339 -2.197 4.602 1.00 39.66 O HETATM 942 O HOH 38 -1.874 -6.935 16.057 1.00 30.67 O HETATM 943 O HOH 39 -5.637 -7.158 12.964 1.00 27.20 O HETATM 944 O HOH 40 -0.331 -7.672 12.446 1.00 31.08 O HETATM 945 O HOH 41 8.644 8.040 11.160 1.00 21.82 O HETATM 946 O HOH 42 15.226 5.709 9.532 1.00 13.11 O HETATM 947 O HOH 43 11.680 7.699 13.379 1.00 24.28 O HETATM 948 O HOH 44 11.770 4.039 15.974 1.00 13.56 O HETATM 949 O HOH 45 16.711 4.444 11.660 1.00 12.74 O HETATM 950 O HOH 46 15.174 -5.680 10.990 1.00 17.78 O HETATM 951 O HOH 47 11.785 8.371 8.476 1.00 15.45 O HETATM 952 O HOH 48 7.729 8.877 1.828 1.00 29.95 O HETATM 953 O HOH 49 0.343 11.517 5.198 1.00 30.14 O HETATM 954 O HOH 50 26.833 -7.591 10.541 1.00 18.93 O HETATM 955 O HOH 51 14.294 -4.859 28.367 1.00 29.02 O HETATM 956 O HOH 52 14.082 -9.197 13.426 1.00 26.86 O HETATM 957 O HOH 53 10.701 -6.526 26.128 1.00 21.06 O HETATM 958 O HOH 54 14.978 -4.123 25.882 1.00 17.15 O HETATM 959 O HOH 55 17.274 -1.781 19.751 1.00 19.44 O HETATM 960 O HOH 56 13.836 -4.745 19.513 1.00 11.99 O HETATM 961 O HOH 57 13.480 -5.592 22.157 1.00 12.99 O HETATM 962 O HOH 58 14.886 -7.129 16.112 1.00 14.61 O HETATM 963 O HOH 59 16.629 -1.693 25.973 1.00 22.30 O HETATM 964 O HOH 60 12.269 -4.460 25.159 1.00 14.50 O HETATM 965 O HOH 61 13.591 4.091 21.063 1.00 25.56 O HETATM 966 O HOH 62 7.273 1.641 28.221 1.00 50.92 O HETATM 967 O HOH 63 14.390 5.165 23.954 1.00 40.75 O HETATM 968 N GLY A 64 24.930 -0.300 4.277 1.00 0.24 N HETATM 969 CA GLY A 64 24.039 -1.331 3.680 1.00 0.05 C HETATM 970 C GLY A 64 22.943 -1.808 4.618 1.00 0.22 C HETATM 971 O GLY A 64 21.773 -1.876 4.224 1.00 -0.39 O HETATM 972 N GLY A 64 23.306 -2.132 5.859 1.00 -0.26 N HETATM 973 CA GLY A 64 22.391 -2.855 6.744 1.00 0.13 C HETATM 974 CB GLY A 64 23.149 -3.513 7.899 1.00 0.00 C HETATM 975 CG GLY A 64 24.185 -4.535 7.441 1.00 0.04 C HETATM 976 CD GLY A 64 24.405 -5.652 8.444 1.00 0.17 C HETATM 977 NE2 GLY A 64 23.517 -6.637 8.446 1.00 -0.30 N HETATM 978 H12 GLY A 64 23.616 -7.398 9.087 1.00 0.18 H HETATM 979 H13 GLY A 64 22.749 -6.619 7.806 1.00 0.18 H HETATM 980 OE1 GLY A 64 25.368 -5.623 9.203 1.00 -0.40 O HETATM 981 H10 GLY A 64 25.141 -4.016 7.280 1.00 0.05 H HETATM 982 H11 GLY A 64 23.844 -4.978 6.493 1.00 0.05 H HETATM 983 H8 GLY A 64 22.421 -4.022 8.549 1.00 0.03 H HETATM 984 H9 GLY A 64 23.664 -2.727 8.470 1.00 0.03 H HETATM 985 C GLY A 64 21.296 -1.946 7.292 1.00 0.21 C HETATM 986 O GLY A 64 21.562 -0.788 7.612 1.00 -0.39 O HETATM 987 N GLY A 64 20.072 -2.467 7.404 1.00 -0.25 N HETATM 988 CA GLY A 64 18.968 -1.681 7.966 1.00 0.13 C HETATM 989 C GLY A 64 19.239 -1.301 9.415 1.00 0.21 C HETATM 990 O GLY A 64 20.034 -1.958 10.092 1.00 -0.39 O HETATM 991 N GLY A 64 18.581 -0.251 9.893 1.00 -0.25 N HETATM 992 CA GLY A 64 18.775 0.190 11.272 1.00 0.13 C HETATM 993 C GLY A 64 18.170 -0.786 12.260 1.00 0.20 C HETATM 994 O GLY A 64 17.376 -1.650 11.883 1.00 -0.39 O HETATM 995 N GLY A 64 18.548 -0.641 13.521 1.00 -0.26 N HETATM 996 CA GLY A 64 17.969 -1.447 14.580 1.00 0.13 C HETATM 997 CB GLY A 64 18.664 -1.176 15.919 1.00 -0.01 C HETATM 998 CG GLY A 64 20.156 -1.477 16.013 1.00 -0.04 C HETATM 999 CD1 GLY A 64 20.628 -1.193 17.424 1.00 -0.06 C HETATM 1000 H33 GLY A 64 21.704 -1.408 17.501 1.00 0.02 H HETATM 1001 H34 GLY A 64 20.076 -1.830 18.131 1.00 0.02 H HETATM 1002 H35 GLY A 64 20.447 -0.135 17.665 1.00 0.02 H HETATM 1003 CD2 GLY A 64 20.469 -2.913 15.627 1.00 -0.06 C HETATM 1004 H36 GLY A 64 20.120 -3.101 14.601 1.00 0.02 H HETATM 1005 H37 GLY A 64 19.959 -3.598 16.320 1.00 0.02 H HETATM 1006 H38 GLY A 64 21.555 -3.079 15.681 1.00 0.02 H HETATM 1007 H32 GLY A 64 20.691 -0.811 15.320 1.00 0.03 H HETATM 1008 H30 GLY A 64 18.157 -1.784 16.682 1.00 0.03 H HETATM 1009 H31 GLY A 64 18.528 -0.109 16.151 1.00 0.03 H HETATM 1010 C GLY A 64 16.487 -1.155 14.734 1.00 0.20 C HETATM 1011 O GLY A 64 16.019 -0.049 14.464 1.00 -0.39 O HETATM 1012 N GLY A 64 15.769 -2.175 15.181 1.00 -0.26 N HETATM 1013 CA GLY A 64 14.420 -2.039 15.700 1.00 0.13 C HETATM 1014 CB GLY A 64 13.697 -3.406 15.659 1.00 -0.01 C HETATM 1015 CG2 GLY A 64 13.631 -3.921 14.219 1.00 -0.06 C HETATM 1016 H45 GLY A 64 14.647 -3.968 13.799 1.00 0.02 H HETATM 1017 H46 GLY A 64 13.015 -3.240 13.614 1.00 0.02 H HETATM 1018 H47 GLY A 64 13.184 -4.926 14.209 1.00 0.02 H HETATM 1019 CG1 GLY A 64 12.310 -3.326 16.278 1.00 -0.06 C HETATM 1020 H42 GLY A 64 11.830 -4.314 16.230 1.00 0.02 H HETATM 1021 H43 GLY A 64 11.703 -2.596 15.723 1.00 0.02 H HETATM 1022 H44 GLY A 64 12.395 -3.010 17.328 1.00 0.02 H HETATM 1023 H41 GLY A 64 14.288 -4.121 16.251 1.00 0.03 H HETATM 1024 C GLY A 64 14.524 -1.539 17.141 1.00 0.21 C HETATM 1025 O GLY A 64 15.370 -2.015 17.905 1.00 -0.39 O HETATM 1026 N GLY A 64 13.698 -0.565 17.522 1.00 -0.25 N HETATM 1027 CA GLY A 64 13.719 -0.080 18.906 1.00 0.13 C HETATM 1028 C GLY A 64 13.328 -1.172 19.898 1.00 0.21 C HETATM 1029 O GLY A 64 12.717 -2.175 19.516 1.00 -0.39 O HETATM 1030 N GLY A 64 13.670 -0.993 21.171 1.00 -0.25 N HETATM 1031 CA GLY A 64 13.255 -1.959 22.190 1.00 0.13 C HETATM 1032 C GLY A 64 11.752 -2.228 22.144 1.00 0.20 C HETATM 1033 O GLY A 64 10.958 -1.294 22.037 1.00 -0.39 O HETATM 1034 N GLY A 64 11.368 -3.497 22.235 1.00 -0.26 N HETATM 1035 CA GLY A 64 9.951 -3.871 22.242 1.00 0.13 C HETATM 1036 CB GLY A 64 9.766 -5.399 22.209 1.00 -0.01 C HETATM 1037 CG GLY A 64 9.509 -5.948 20.818 1.00 -0.02 C HETATM 1038 CD GLY A 64 10.680 -5.845 19.856 1.00 0.06 C HETATM 1039 NE GLY A 64 10.248 -6.248 18.519 1.00 -0.27 N HETATM 1040 CZ GLY A 64 11.056 -6.594 17.528 1.00 0.29 C HETATM 1041 NH2 GLY A 64 12.370 -6.550 17.672 1.00 -0.28 N HETATM 1042 H73 GLY A 64 12.780 -6.272 18.575 1.00 0.26 H HETATM 1043 H74 GLY A 64 12.983 -6.793 16.881 1.00 0.26 H HETATM 1044 NH1 GLY A 64 10.537 -6.952 16.364 1.00 -0.28 N HETATM 1045 H71 GLY A 64 11.155 -7.223 15.586 1.00 0.26 H HETATM 1046 H72 GLY A 64 9.515 -6.960 16.236 1.00 0.26 H HETATM 1047 H70 GLY A 64 9.235 -6.264 18.333 1.00 0.26 H HETATM 1048 H68 GLY A 64 11.492 -6.506 20.194 1.00 0.07 H HETATM 1049 H69 GLY A 64 11.041 -4.806 19.827 1.00 0.07 H HETATM 1050 H66 GLY A 64 8.663 -5.395 20.385 1.00 0.03 H HETATM 1051 H67 GLY A 64 9.241 -7.010 20.916 1.00 0.03 H HETATM 1052 H64 GLY A 64 8.911 -5.660 22.850 1.00 0.03 H HETATM 1053 H65 GLY A 64 10.678 -5.869 22.605 1.00 0.03 H HETATM 1054 C GLY A 64 9.170 -3.265 23.413 1.00 0.20 C HETATM 1055 O GLY A 64 7.968 -3.056 23.291 1.00 -0.39 O HETATM 1056 N GLY A 64 9.840 -2.970 24.524 1.00 -0.26 N HETATM 1057 CA GLY A 64 9.160 -2.396 25.683 1.00 0.13 C HETATM 1058 CB GLY A 64 10.079 -2.352 26.911 1.00 -0.01 C HETATM 1059 CG GLY A 64 11.279 -1.424 26.817 1.00 -0.04 C HETATM 1060 CD GLY A 64 12.290 -1.747 27.923 1.00 -0.01 C HETATM 1061 CE GLY A 64 13.202 -0.581 28.243 1.00 -0.04 C HETATM 1062 NZ GLY A 64 13.920 -0.059 27.058 1.00 0.22 N HETATM 1063 H85 GLY A 64 14.508 0.712 27.334 1.00 0.20 H HETATM 1064 H86 GLY A 64 13.252 0.257 26.372 1.00 0.20 H HETATM 1065 H87 GLY A 64 14.489 -0.790 26.661 1.00 0.20 H HETATM 1066 H83 GLY A 64 13.945 -0.911 28.984 1.00 0.08 H HETATM 1067 H84 GLY A 64 12.595 0.231 28.669 1.00 0.08 H HETATM 1068 H81 GLY A 64 12.908 -2.597 27.598 1.00 0.03 H HETATM 1069 H82 GLY A 64 11.738 -2.022 28.834 1.00 0.03 H HETATM 1070 H79 GLY A 64 10.942 -0.383 26.927 1.00 0.03 H HETATM 1071 H80 GLY A 64 11.761 -1.552 25.837 1.00 0.03 H HETATM 1072 H77 GLY A 64 10.455 -3.371 27.085 1.00 0.03 H HETATM 1073 H78 GLY A 64 9.474 -2.032 27.772 1.00 0.03 H HETATM 1074 C GLY A 64 8.588 -1.018 25.381 1.00 0.20 C HETATM 1075 O GLY A 64 7.658 -0.568 26.049 1.00 -0.39 O HETATM 1076 N GLY A 64 9.115 -0.364 24.351 1.00 -0.26 N HETATM 1077 CA GLY A 64 8.650 0.964 23.973 1.00 0.13 C HETATM 1078 CB GLY A 64 9.753 1.719 23.231 1.00 -0.00 C HETATM 1079 CG GLY A 64 10.929 2.055 24.138 1.00 0.00 C HETATM 1080 CD GLY A 64 12.095 2.664 23.399 1.00 0.04 C HETATM 1081 OE2 GLY A 64 13.156 2.859 24.025 1.00 -0.57 O HETATM 1082 OE1 GLY A 64 11.957 2.952 22.193 1.00 -0.57 O HETATM 1083 H92 GLY A 64 11.269 1.130 24.626 1.00 0.04 H HETATM 1084 H93 GLY A 64 10.588 2.769 24.902 1.00 0.04 H HETATM 1085 H90 GLY A 64 9.335 2.655 22.831 1.00 0.03 H HETATM 1086 H91 GLY A 64 10.113 1.094 22.401 1.00 0.03 H HETATM 1087 C GLY A 64 7.351 0.972 23.165 1.00 0.20 C HETATM 1088 O GLY A 64 6.840 2.041 22.852 1.00 -0.39 O HETATM 1089 N GLY A 64 6.814 -0.205 22.850 1.00 -0.26 N HETATM 1090 CA GLY A 64 5.501 -0.301 22.218 1.00 0.13 C HETATM 1091 CB GLY A 64 5.196 -1.739 21.803 1.00 -0.01 C HETATM 1092 CG GLY A 64 5.956 -2.168 20.559 1.00 -0.04 C HETATM 1093 CD GLY A 64 5.559 -3.548 20.069 1.00 -0.01 C HETATM 1094 CE GLY A 64 5.971 -4.630 21.039 1.00 -0.04 C HETATM 1095 NZ GLY A 64 5.866 -5.969 20.418 1.00 0.22 N HETATM 1096 H104 GLY A 64 6.146 -6.671 21.085 1.00 0.20 H HETATM 1097 H105 GLY A 64 6.468 -6.013 19.611 1.00 0.20 H HETATM 1098 H106 GLY A 64 4.913 -6.135 20.136 1.00 0.20 H HETATM 1099 H102 GLY A 64 5.315 -4.591 21.921 1.00 0.08 H HETATM 1100 H103 GLY A 64 7.013 -4.458 21.348 1.00 0.08 H HETATM 1101 H100 GLY A 64 6.045 -3.735 19.100 1.00 0.03 H HETATM 1102 H101 GLY A 64 4.467 -3.580 19.943 1.00 0.03 H HETATM 1103 H98 GLY A 64 7.032 -2.174 20.790 1.00 0.03 H HETATM 1104 H99 GLY A 64 5.757 -1.441 19.758 1.00 0.03 H HETATM 1105 H96 GLY A 64 4.118 -1.826 21.603 1.00 0.03 H HETATM 1106 H97 GLY A 64 5.471 -2.409 22.631 1.00 0.03 H HETATM 1107 C GLY A 64 4.426 0.211 23.163 1.00 0.20 C HETATM 1108 O GLY A 64 3.438 0.787 22.719 1.00 -0.39 O HETATM 1109 N GLY A 64 4.630 0.012 24.464 1.00 -0.26 N HETATM 1110 CA GLY A 64 3.747 0.588 25.475 1.00 0.13 C HETATM 1111 CB GLY A 64 4.109 0.079 26.872 1.00 -0.00 C HETATM 1112 CG GLY A 64 4.122 -1.439 27.046 1.00 -0.00 C HETATM 1113 SD GLY A 64 3.145 -2.056 28.470 1.00 -0.16 S HETATM 1114 CE GLY A 64 3.410 -0.767 29.703 1.00 -0.02 C HETATM 1115 H113 GLY A 64 2.865 -1.023 30.624 1.00 0.03 H HETATM 1116 H114 GLY A 64 3.042 0.194 29.314 1.00 0.03 H HETATM 1117 H115 GLY A 64 4.485 -0.686 29.923 1.00 0.03 H HETATM 1118 H111 GLY A 64 5.165 -1.759 27.182 1.00 0.04 H HETATM 1119 H112 GLY A 64 3.716 -1.892 26.130 1.00 0.04 H HETATM 1120 H109 GLY A 64 3.378 0.493 27.582 1.00 0.03 H HETATM 1121 H110 GLY A 64 5.113 0.455 27.118 1.00 0.03 H HETATM 1122 C GLY A 64 3.829 2.114 25.460 1.00 0.20 C HETATM 1123 O GLY A 64 4.772 2.691 24.923 1.00 -0.39 O HETATM 1124 N GLY A 64 2.846 2.763 26.073 1.00 -0.26 N HETATM 1125 CA GLY A 64 2.755 4.224 26.066 1.00 0.13 C HETATM 1126 CB GLY A 64 1.394 4.669 26.608 1.00 -0.01 C HETATM 1127 CG GLY A 64 0.905 5.989 26.055 1.00 -0.02 C HETATM 1128 CD GLY A 64 -0.438 6.429 26.618 1.00 0.06 C HETATM 1129 NE GLY A 64 -0.407 7.815 27.079 1.00 -0.27 N HETATM 1130 CZ GLY A 64 -0.375 8.884 26.285 1.00 0.29 C HETATM 1131 NH2 GLY A 64 -0.377 8.754 24.961 1.00 -0.28 N HETATM 1132 H127 GLY A 64 -0.399 7.816 24.536 1.00 0.26 H HETATM 1133 H128 GLY A 64 -0.356 9.591 24.361 1.00 0.26 H HETATM 1134 NH1 GLY A 64 -0.346 10.099 26.818 1.00 -0.28 N HETATM 1135 H125 GLY A 64 -0.321 10.928 26.208 1.00 0.26 H HETATM 1136 H126 GLY A 64 -0.348 10.213 27.842 1.00 0.26 H HETATM 1137 H124 GLY A 64 -0.410 7.978 28.096 1.00 0.26 H HETATM 1138 H122 GLY A 64 -0.699 5.778 27.465 1.00 0.07 H HETATM 1139 H123 GLY A 64 -1.202 6.332 25.832 1.00 0.07 H HETATM 1140 H120 GLY A 64 0.809 5.894 24.963 1.00 0.03 H HETATM 1141 H121 GLY A 64 1.651 6.762 26.292 1.00 0.03 H HETATM 1142 H118 GLY A 64 1.472 4.761 27.701 1.00 0.03 H HETATM 1143 H119 GLY A 64 0.654 3.895 26.357 1.00 0.03 H HETATM 1144 C GLY A 64 3.885 4.881 26.871 1.00 0.20 C HETATM 1145 O GLY A 64 4.452 4.274 27.783 1.00 -0.39 O HETATM 1146 N GLY A 64 4.188 6.131 26.529 1.00 -0.27 N HETATM 1147 CA GLY A 64 5.306 6.863 27.105 1.00 0.12 C HETATM 1148 C GLY A 64 6.640 6.449 26.508 1.00 0.20 C HETATM 1149 O GLY A 64 7.686 6.637 27.135 1.00 -0.39 O HETATM 1150 N GLY A 64 6.600 5.918 25.284 1.00 -0.26 N HETATM 1151 CA GLY A 64 7.734 5.221 24.672 1.00 0.14 C HETATM 1152 CB GLY A 64 8.886 6.183 24.338 1.00 -0.01 C HETATM 1153 CG GLY A 64 10.214 5.482 24.054 1.00 -0.04 C HETATM 1154 CD GLY A 64 11.166 6.335 23.231 1.00 -0.01 C HETATM 1155 CE GLY A 64 11.754 7.478 24.033 1.00 -0.04 C HETATM 1156 NZ GLY A 64 13.225 7.366 24.150 1.00 0.22 N HETATM 1157 H142 GLY A 64 13.579 8.141 24.688 1.00 0.20 H HETATM 1158 H143 GLY A 64 13.637 7.379 23.230 1.00 0.20 H HETATM 1159 H144 GLY A 64 13.460 6.501 24.611 1.00 0.20 H HETATM 1160 H140 GLY A 64 11.315 7.469 25.041 1.00 0.08 H HETATM 1161 H141 GLY A 64 11.508 8.427 23.534 1.00 0.08 H HETATM 1162 H138 GLY A 64 10.617 6.751 22.373 1.00 0.03 H HETATM 1163 H139 GLY A 64 11.987 5.699 22.868 1.00 0.03 H HETATM 1164 H136 GLY A 64 10.010 4.552 23.503 1.00 0.03 H HETATM 1165 H137 GLY A 64 10.697 5.242 25.013 1.00 0.03 H HETATM 1166 H134 GLY A 64 9.028 6.863 25.191 1.00 0.03 H HETATM 1167 H135 GLY A 64 8.604 6.765 23.448 1.00 0.03 H HETATM 1168 C GLY A 64 8.210 4.092 25.586 1.00 0.26 C HETATM 1169 O GLY A 64 7.399 3.376 26.178 1.00 -0.37 O HETATM 1170 O1 GLY A 64 9.513 3.880 25.745 1.00 -0.29 O HETATM 1171 H145 GLY A 64 9.740 3.979 26.662 1.00 0.25 H HETATM 1172 H133 GLY A 64 7.387 4.774 23.729 1.00 0.08 H HETATM 1173 H132 GLY A 64 5.753 6.000 24.758 1.00 0.19 H HETATM 1174 H130 GLY A 64 5.331 6.675 28.189 1.00 0.08 H HETATM 1175 H131 GLY A 64 5.156 7.937 26.923 1.00 0.08 H HETATM 1176 H129 GLY A 64 3.621 6.589 25.844 1.00 0.19 H HETATM 1177 H117 GLY A 64 2.841 4.564 25.023 1.00 0.08 H HETATM 1178 H116 GLY A 64 2.145 2.237 26.555 1.00 0.19 H HETATM 1179 H108 GLY A 64 2.714 0.287 25.246 1.00 0.08 H HETATM 1180 H107 GLY A 64 5.407 -0.546 24.756 1.00 0.19 H HETATM 1181 H95 GLY A 64 5.503 0.328 21.316 1.00 0.08 H HETATM 1182 H94 GLY A 64 7.322 -1.043 23.051 1.00 0.19 H HETATM 1183 H89 GLY A 64 8.446 1.508 24.907 1.00 0.08 H HETATM 1184 H88 GLY A 64 9.848 -0.793 23.823 1.00 0.19 H HETATM 1185 H76 GLY A 64 8.315 -3.057 25.927 1.00 0.08 H HETATM 1186 H75 GLY A 64 10.824 -3.144 24.567 1.00 0.19 H HETATM 1187 H63 GLY A 64 9.511 -3.467 21.318 1.00 0.08 H HETATM 1188 H62 GLY A 64 12.062 -4.214 22.300 1.00 0.19 H HETATM 1189 CB GLY A 64 13.647 -1.278 23.507 1.00 -0.01 C HETATM 1190 CG GLY A 64 14.692 -0.293 23.156 1.00 -0.03 C HETATM 1191 CD GLY A 64 14.468 0.106 21.736 1.00 0.04 C HETATM 1192 H60 GLY A 64 13.917 1.056 21.681 1.00 0.05 H HETATM 1193 H61 GLY A 64 15.425 0.206 21.204 1.00 0.05 H HETATM 1194 H58 GLY A 64 14.614 0.587 23.811 1.00 0.03 H HETATM 1195 H59 GLY A 64 15.688 -0.746 23.267 1.00 0.03 H HETATM 1196 H56 GLY A 64 14.042 -2.018 24.218 1.00 0.03 H HETATM 1197 H57 GLY A 64 12.777 -0.772 23.950 1.00 0.03 H HETATM 1198 H55 GLY A 64 13.795 -2.909 22.065 1.00 0.08 H HETATM 1199 CB GLY A 64 12.687 1.058 18.914 1.00 -0.01 C HETATM 1200 CG GLY A 64 11.884 0.894 17.699 1.00 -0.03 C HETATM 1201 CD GLY A 64 12.717 0.161 16.700 1.00 0.04 C HETATM 1202 H53 GLY A 64 12.102 -0.539 16.116 1.00 0.05 H HETATM 1203 H54 GLY A 64 13.220 0.863 16.019 1.00 0.05 H HETATM 1204 H51 GLY A 64 10.976 0.316 17.925 1.00 0.03 H HETATM 1205 H52 GLY A 64 11.602 1.880 17.300 1.00 0.03 H HETATM 1206 H49 GLY A 64 13.195 2.033 18.906 1.00 0.03 H HETATM 1207 H50 GLY A 64 12.047 0.986 19.806 1.00 0.03 H HETATM 1208 H48 GLY A 64 14.718 0.300 19.165 1.00 0.08 H HETATM 1209 H40 GLY A 64 13.859 -1.312 15.094 1.00 0.08 H HETATM 1210 H39 GLY A 64 16.178 -3.087 15.160 1.00 0.19 H HETATM 1211 H29 GLY A 64 18.098 -2.508 14.320 1.00 0.08 H HETATM 1212 H28 GLY A 64 19.247 0.038 13.748 1.00 0.19 H HETATM 1213 CB GLY A 64 18.030 1.524 11.311 1.00 -0.01 C HETATM 1214 CG GLY A 64 16.955 1.376 10.292 1.00 -0.03 C HETATM 1215 CD GLY A 64 17.576 0.571 9.195 1.00 0.04 C HETATM 1216 H26 GLY A 64 16.826 -0.063 8.700 1.00 0.05 H HETATM 1217 H27 GLY A 64 18.053 1.225 8.450 1.00 0.05 H HETATM 1218 H24 GLY A 64 16.088 0.848 10.717 1.00 0.03 H HETATM 1219 H25 GLY A 64 16.637 2.361 9.918 1.00 0.03 H HETATM 1220 H22 GLY A 64 18.703 2.354 11.049 1.00 0.03 H HETATM 1221 H23 GLY A 64 17.600 1.701 12.308 1.00 0.03 H HETATM 1222 H21 GLY A 64 19.843 0.324 11.496 1.00 0.08 H HETATM 1223 CB GLY A 64 17.770 -2.632 7.880 1.00 -0.01 C HETATM 1224 CG GLY A 64 18.170 -3.671 6.915 1.00 -0.03 C HETATM 1225 CD GLY A 64 19.636 -3.824 7.031 1.00 0.04 C HETATM 1226 H19 GLY A 64 19.899 -4.554 7.811 1.00 0.05 H HETATM 1227 H20 GLY A 64 20.080 -4.135 6.074 1.00 0.05 H HETATM 1228 H17 GLY A 64 17.671 -4.621 7.154 1.00 0.03 H HETATM 1229 H18 GLY A 64 17.902 -3.362 5.894 1.00 0.03 H HETATM 1230 H15 GLY A 64 16.878 -2.097 7.523 1.00 0.03 H HETATM 1231 H16 GLY A 64 17.561 -3.079 8.863 1.00 0.03 H HETATM 1232 H14 GLY A 64 18.794 -0.771 7.373 1.00 0.08 H HETATM 1233 H7 GLY A 64 21.910 -3.649 6.154 1.00 0.08 H HETATM 1234 H6 GLY A 64 24.215 -1.878 6.190 1.00 0.19 H HETATM 1235 H4 GLY A 64 24.653 -2.198 3.394 1.00 0.11 H HETATM 1236 H5 GLY A 64 23.567 -0.905 2.783 1.00 0.11 H HETATM 1237 H1 GLY A 64 25.630 -0.030 3.604 1.00 0.20 H HETATM 1238 H2 GLY A 64 25.380 -0.678 5.096 1.00 0.20 H HETATM 1239 H3 GLY A 64 24.384 0.507 4.535 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 968 969 1237 1238 1239 CONECT 969 968 970 1235 1236 CONECT 970 969 971 972 CONECT 971 970 CONECT 972 970 973 1234 CONECT 973 972 974 985 1233 CONECT 974 973 975 983 984 CONECT 975 974 976 981 982 CONECT 976 975 977 980 CONECT 977 976 978 979 CONECT 978 977 CONECT 979 977 CONECT 980 976 CONECT 981 975 CONECT 982 975 CONECT 983 974 CONECT 984 974 CONECT 985 973 986 987 CONECT 986 985 CONECT 987 985 988 1225 CONECT 988 987 989 1223 1232 CONECT 989 988 990 991 CONECT 990 989 CONECT 991 989 992 1215 CONECT 992 991 993 1213 1222 CONECT 993 992 994 995 CONECT 994 993 CONECT 995 993 996 1212 CONECT 996 995 997 1010 1211 CONECT 997 996 998 1008 1009 CONECT 998 997 999 1003 1007 CONECT 999 998 1000 1001 1002 CONECT 1000 999 CONECT 1001 999 CONECT 1002 999 CONECT 1003 998 1004 1005 1006 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1003 CONECT 1007 998 CONECT 1008 997 CONECT 1009 997 CONECT 1010 996 1011 1012 CONECT 1011 1010 CONECT 1012 1010 1013 1210 CONECT 1013 1012 1014 1024 1209 CONECT 1014 1013 1015 1019 1023 CONECT 1015 1014 1016 1017 1018 CONECT 1016 1015 CONECT 1017 1015 CONECT 1018 1015 CONECT 1019 1014 1020 1021 1022 CONECT 1020 1019 CONECT 1021 1019 CONECT 1022 1019 CONECT 1023 1014 CONECT 1024 1013 1025 1026 CONECT 1025 1024 CONECT 1026 1024 1027 1201 CONECT 1027 1026 1028 1199 1208 CONECT 1028 1027 1029 1030 CONECT 1029 1028 CONECT 1030 1028 1031 1191 CONECT 1031 1030 1032 1189 1198 CONECT 1032 1031 1033 1034 CONECT 1033 1032 CONECT 1034 1032 1035 1188 CONECT 1035 1034 1036 1054 1187 CONECT 1036 1035 1037 1052 1053 CONECT 1037 1036 1038 1050 1051 CONECT 1038 1037 1039 1048 1049 CONECT 1039 1038 1040 1047 CONECT 1040 1039 1041 1044 CONECT 1041 1040 1042 1043 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1040 1045 1046 CONECT 1045 1044 CONECT 1046 1044 CONECT 1047 1039 CONECT 1048 1038 CONECT 1049 1038 CONECT 1050 1037 CONECT 1051 1037 CONECT 1052 1036 CONECT 1053 1036 CONECT 1054 1035 1055 1056 CONECT 1055 1054 CONECT 1056 1054 1057 1186 CONECT 1057 1056 1058 1074 1185 CONECT 1058 1057 1059 1072 1073 CONECT 1059 1058 1060 1070 1071 CONECT 1060 1059 1061 1068 1069 CONECT 1061 1060 1062 1066 1067 CONECT 1062 1061 1063 1064 1065 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1062 CONECT 1066 1061 CONECT 1067 1061 CONECT 1068 1060 CONECT 1069 1060 CONECT 1070 1059 CONECT 1071 1059 CONECT 1072 1058 CONECT 1073 1058 CONECT 1074 1057 1075 1076 CONECT 1075 1074 CONECT 1076 1074 1077 1184 CONECT 1077 1076 1078 1087 1183 CONECT 1078 1077 1079 1085 1086 CONECT 1079 1078 1080 1083 1084 CONECT 1080 1079 1081 1082 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1079 CONECT 1084 1079 CONECT 1085 1078 CONECT 1086 1078 CONECT 1087 1077 1088 1089 CONECT 1088 1087 CONECT 1089 1087 1090 1182 CONECT 1090 1089 1091 1107 1181 CONECT 1091 1090 1092 1105 1106 CONECT 1092 1091 1093 1103 1104 CONECT 1093 1092 1094 1101 1102 CONECT 1094 1093 1095 1099 1100 CONECT 1095 1094 1096 1097 1098 CONECT 1096 1095 CONECT 1097 1095 CONECT 1098 1095 CONECT 1099 1094 CONECT 1100 1094 CONECT 1101 1093 CONECT 1102 1093 CONECT 1103 1092 CONECT 1104 1092 CONECT 1105 1091 CONECT 1106 1091 CONECT 1107 1090 1108 1109 CONECT 1108 1107 CONECT 1109 1107 1110 1180 CONECT 1110 1109 1111 1122 1179 CONECT 1111 1110 1112 1120 1121 CONECT 1112 1111 1113 1118 1119 CONECT 1113 1112 1114 CONECT 1114 1113 1115 1116 1117 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1114 CONECT 1118 1112 CONECT 1119 1112 CONECT 1120 1111 CONECT 1121 1111 CONECT 1122 1110 1123 1124 CONECT 1123 1122 CONECT 1124 1122 1125 1178 CONECT 1125 1124 1126 1144 1177 CONECT 1126 1125 1127 1142 1143 CONECT 1127 1126 1128 1140 1141 CONECT 1128 1127 1129 1138 1139 CONECT 1129 1128 1130 1137 CONECT 1130 1129 1131 1134 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 CONECT 1134 1130 1135 1136 CONECT 1135 1134 CONECT 1136 1134 CONECT 1137 1129 CONECT 1138 1128 CONECT 1139 1128 CONECT 1140 1127 CONECT 1141 1127 CONECT 1142 1126 CONECT 1143 1126 CONECT 1144 1125 1145 1146 CONECT 1145 1144 CONECT 1146 1144 1147 1176 CONECT 1147 1146 1148 1174 1175 CONECT 1148 1147 1149 1150 CONECT 1149 1148 CONECT 1150 1148 1151 1173 CONECT 1151 1150 1152 1168 1172 CONECT 1152 1151 1153 1166 1167 CONECT 1153 1152 1154 1164 1165 CONECT 1154 1153 1155 1162 1163 CONECT 1155 1154 1156 1160 1161 CONECT 1156 1155 1157 1158 1159 CONECT 1157 1156 CONECT 1158 1156 CONECT 1159 1156 CONECT 1160 1155 CONECT 1161 1155 CONECT 1162 1154 CONECT 1163 1154 CONECT 1164 1153 CONECT 1165 1153 CONECT 1166 1152 CONECT 1167 1152 CONECT 1168 1151 1169 1170 CONECT 1169 1168 CONECT 1170 1168 1171 CONECT 1171 1170 CONECT 1172 1151 CONECT 1173 1150 CONECT 1174 1147 CONECT 1175 1147 CONECT 1176 1146 CONECT 1177 1125 CONECT 1178 1124 CONECT 1179 1110 CONECT 1180 1109 CONECT 1181 1090 CONECT 1182 1089 CONECT 1183 1077 CONECT 1184 1076 CONECT 1185 1057 CONECT 1186 1056 CONECT 1187 1035 CONECT 1188 1034 CONECT 1189 1031 1190 1196 1197 CONECT 1190 1189 1191 1194 1195 CONECT 1191 1030 1190 1192 1193 CONECT 1192 1191 CONECT 1193 1191 CONECT 1194 1190 CONECT 1195 1190 CONECT 1196 1189 CONECT 1197 1189 CONECT 1198 1031 CONECT 1199 1027 1200 1206 1207 CONECT 1200 1199 1201 1204 1205 CONECT 1201 1026 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 CONECT 1204 1200 CONECT 1205 1200 CONECT 1206 1199 CONECT 1207 1199 CONECT 1208 1027 CONECT 1209 1013 CONECT 1210 1012 CONECT 1211 996 CONECT 1212 995 CONECT 1213 992 1214 1220 1221 CONECT 1214 1213 1215 1218 1219 CONECT 1215 991 1214 1216 1217 CONECT 1216 1215 CONECT 1217 1215 CONECT 1218 1214 CONECT 1219 1214 CONECT 1220 1213 CONECT 1221 1213 CONECT 1222 992 CONECT 1223 988 1224 1230 1231 CONECT 1224 1223 1225 1228 1229 CONECT 1225 987 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 CONECT 1228 1224 CONECT 1229 1224 CONECT 1230 1223 CONECT 1231 1223 CONECT 1232 988 CONECT 1233 973 CONECT 1234 972 CONECT 1235 969 CONECT 1236 969 CONECT 1237 968 CONECT 1238 968 CONECT 1239 968 MASTER 0 0 0 0 0 0 0 0 1238 1 276 5 END
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Related entries of code: 1uti
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3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3g7l
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
1uti
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Grb2-related adaptor protein 2(SH3 domain)
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
(2004) J.Biol.Chem. Vol. 279: pp. 28724
Ligand Properties
Formula
C
8
0
H
1
4
6
N
2
6
O
2
0
S
Molecular Weight
1824.240
Exact Mass
1823.090
No. of atoms
273
No. of bonds
276
Polar Surface Area
786.91
LOGP Value
-4.86 (
Computed with XLOGP3
)
-6.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 46
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CCCC[NH3+])CCC[NH+]=C(N)N)CCSC)CCCC[NH3+])CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C[NH3+])CCC(=O)N)CC(C)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C80H140N26O20S/c1-45(2)42-55(101-73(120)57-24-15-38-104(57)75(122)58-25-16-39-105(58)74(121)53(27-29-60(85)107)93-61(108)43-84)71(118)102-64(46(3)4)77(124)106-40-17-26-59(106)76(123)103-37-14-23-56(103)72(119)100-50(22-13-36-91-80(88)89)68(115)96-48(18-6-9-32-81)66(113)98-51(28-30-63(110)111)69(116)97-49(19-7-10-33-82)67(114)99-52(31-41-127-5)70(117)95-47(21-12-35-90-79(86)87)65(112)92-44-62(109)94-54(78(125)126)20-8-11-34-83/h45-59,64H,6-44,81-84H2,1-5H3,(H2,85,107)(H,92,112)(H,93,108)(H,94,109)(H,95,117)(H,96,115)(H,97,116)(H,98,113)(H,99,114)(H,100,119)(H,101,120)(H,102,118)(H,110,111)(H,125,126)(H4,86,87,90)(H4,88,89,91)/p+6/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P70218
O89100
Entrez Gene ID
NCBI Entrez Gene ID:
26411
17444
ASD
Information of known allosteric effects of PDB entries
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