Browse entries in the PDBbind-CN Database
HEADER 5LDP_COMPLEX COMPND 5LDP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 175 SER GLU PRO GLN ARG LEU PHE PHE ALA ILE ASP LEU PRO SEQRES 2 A 175 ALA GLU ILE ARG GLU GLN ILE ILE HIS TRP ARG ALA LYS SEQRES 3 A 175 HIS PHE PRO PRO GLU ALA GLY ARG PRO VAL ALA ALA ASP SEQRES 4 A 175 ASN LEU HIS LEU THR LEU ALA PHE LEU GLY GLU VAL SER SEQRES 5 A 175 ALA GLU LYS GLU LYS ALA LEU SER LEU LEU ALA GLY ARG SEQRES 6 A 175 ILE ARG GLN PRO GLY PHE THR LEU THR LEU ASP ASP ALA SEQRES 7 A 175 GLY GLN TRP LEU ARG SER ARG VAL VAL TRP LEU GLY MET SEQRES 8 A 175 ARG GLN PRO PRO ARG GLY LEU ILE GLN LEU ALA ASN MET SEQRES 9 A 175 LEU ARG SER GLN ALA ALA ARG SER GLY CYS PHE GLN SER SEQRES 10 A 175 ASN ARG PRO PHE HIS PRO HIS ILE THR LEU LEU ARG ASP SEQRES 11 A 175 ALA SER GLU ALA VAL THR ILE PRO PRO PRO GLY PHE ASN SEQRES 12 A 175 TRP SER TYR ALA VAL THR GLU PHE THR LEU TYR ALA SER SEQRES 13 A 175 SER PHE ALA ARG GLY ARG THR ARG TYR THR PRO LEU LYS SEQRES 14 A 175 ARG TRP ALA LEU THR GLN HET MG A 1 1 HET ATP A 333 43 ATOM 1 N SER A 2 -40.226 -1.069 9.103 1.00106.86 N ATOM 2 CA SER A 2 -41.068 -2.096 9.707 1.00114.84 C ATOM 3 C SER A 2 -40.528 -2.513 11.072 1.00114.55 C ATOM 4 O SER A 2 -41.245 -2.493 12.074 1.00121.85 O ATOM 5 CB SER A 2 -41.166 -3.313 8.785 1.00115.15 C ATOM 6 OG SER A 2 -39.884 -3.874 8.558 1.00110.85 O ATOM 7 HG SER A 2 -39.970 -4.659 7.960 1.00 0.00 H ATOM 8 HN3 SER A 2 -39.262 -1.440 8.982 1.00 0.00 H ATOM 9 HN2 SER A 2 -40.202 -0.234 9.722 1.00 0.00 H ATOM 10 HN1 SER A 2 -40.616 -0.804 8.176 1.00 0.00 H ATOM 11 N GLU A 3 -39.256 -2.888 11.099 1.00109.63 N ATOM 12 CA GLU A 3 -38.619 -3.365 12.318 1.00108.75 C ATOM 13 C GLU A 3 -37.926 -2.245 13.095 1.00100.70 C ATOM 14 O GLU A 3 -37.110 -1.511 12.532 1.00 98.03 O ATOM 15 CB GLU A 3 -37.603 -4.460 11.980 1.00110.27 C ATOM 16 CG GLU A 3 -36.703 -4.850 13.139 1.00108.19 C ATOM 17 CD GLU A 3 -35.639 -5.853 12.741 1.00108.73 C ATOM 18 OE1 GLU A 3 -35.451 -6.073 11.524 1.00110.22 O ATOM 19 OE2 GLU A 3 -34.993 -6.421 13.648 1.00107.29 O ATOM 20 H GLU A 3 -38.697 -2.840 10.223 1.00 0.00 H ATOM 21 N PRO A 4 -38.261 -2.108 14.391 1.00 89.34 N ATOM 22 CA PRO A 4 -37.512 -1.251 15.323 1.00 78.76 C ATOM 23 C PRO A 4 -36.132 -1.847 15.644 1.00 63.04 C ATOM 24 O PRO A 4 -36.063 -2.948 16.185 1.00 58.30 O ATOM 25 CB PRO A 4 -38.410 -1.219 16.567 1.00 80.72 C ATOM 26 CG PRO A 4 -39.237 -2.465 16.478 1.00 84.45 C ATOM 27 CD PRO A 4 -39.459 -2.703 15.014 1.00 88.31 C ATOM 28 N GLN A 5 -35.047 -1.144 15.321 1.00 49.07 N ATOM 29 CA GLN A 5 -33.716 -1.748 15.443 1.00 48.31 C ATOM 30 C GLN A 5 -32.767 -1.079 16.444 1.00 50.48 C ATOM 31 O GLN A 5 -32.868 0.110 16.736 1.00 51.48 O ATOM 32 CB GLN A 5 -33.030 -1.774 14.068 1.00 51.30 C ATOM 33 CG GLN A 5 -33.807 -2.557 13.005 1.00 54.50 C ATOM 34 CD GLN A 5 -32.994 -2.746 11.733 1.00 62.00 C ATOM 35 OE1 GLN A 5 -33.091 -1.950 10.797 1.00 67.01 O ATOM 36 NE2 GLN A 5 -32.178 -3.797 11.700 1.00 50.48 N ATOM 37 HE22 GLN A 5 -32.129 -4.443 12.514 1.00 0.00 H ATOM 38 HE21 GLN A 5 -31.590 -3.972 10.861 1.00 0.00 H ATOM 39 H GLN A 5 -35.144 -0.166 14.982 1.00 0.00 H ATOM 40 N ARG A 6 -31.819 -1.870 16.938 1.00 40.68 N ATOM 41 CA ARG A 6 -30.788 -1.405 17.849 1.00 38.07 C ATOM 42 C ARG A 6 -29.529 -1.017 17.051 1.00 34.07 C ATOM 43 O ARG A 6 -28.817 -1.893 16.557 1.00 36.63 O ATOM 44 CB ARG A 6 -30.479 -2.500 18.861 1.00 51.77 C ATOM 45 CG ARG A 6 -29.417 -2.189 19.877 1.00 42.79 C ATOM 46 CD ARG A 6 -29.313 -3.375 20.833 1.00 48.63 C ATOM 47 NE ARG A 6 -28.381 -3.119 21.919 1.00 45.05 N ATOM 48 CZ ARG A 6 -28.732 -2.529 23.056 1.00 53.70 C ATOM 49 NH1 ARG A 6 -27.829 -2.327 24.006 1.00 50.47 N ATOM 50 NH2 ARG A 6 -29.991 -2.139 23.234 1.00 51.86 N ATOM 51 HE ARG A 6 -27.390 -3.412 21.800 1.00 0.00 H ATOM 52 HH12 ARG A 6 -28.105 -1.865 24.896 1.00 0.00 H ATOM 53 HH11 ARG A 6 -26.845 -2.631 23.861 1.00 0.00 H ATOM 54 HH22 ARG A 6 -30.271 -1.677 24.122 1.00 0.00 H ATOM 55 HH21 ARG A 6 -30.695 -2.297 22.485 1.00 0.00 H ATOM 56 H ARG A 6 -31.816 -2.872 16.658 1.00 0.00 H ATOM 57 N LEU A 7 -29.250 0.283 16.944 1.00 32.48 N ATOM 58 CA LEU A 7 -28.227 0.762 15.987 1.00 29.59 C ATOM 59 C LEU A 7 -27.004 1.456 16.565 1.00 30.52 C ATOM 60 O LEU A 7 -27.071 2.086 17.617 1.00 30.06 O ATOM 61 CB LEU A 7 -28.874 1.737 15.006 1.00 30.28 C ATOM 62 CG LEU A 7 -30.168 1.288 14.339 1.00 40.37 C ATOM 63 CD1 LEU A 7 -30.619 2.351 13.351 1.00 37.27 C ATOM 64 CD2 LEU A 7 -30.009 -0.077 13.664 1.00 33.57 C ATOM 65 H LEU A 7 -29.757 0.968 17.540 1.00 0.00 H ATOM 66 N PHE A 8 -25.884 1.374 15.838 1.00 29.11 N ATOM 67 CA PHE A 8 -24.696 2.157 16.174 1.00 25.30 C ATOM 68 C PHE A 8 -23.838 2.360 14.936 1.00 26.39 C ATOM 69 O PHE A 8 -23.909 1.578 13.990 1.00 25.24 O ATOM 70 CB PHE A 8 -23.860 1.498 17.286 1.00 23.30 C ATOM 71 CG PHE A 8 -23.254 0.172 16.898 1.00 25.99 C ATOM 72 CD1 PHE A 8 -21.942 0.105 16.437 1.00 25.49 C ATOM 73 CD2 PHE A 8 -23.990 -1.003 16.998 1.00 27.12 C ATOM 74 CE1 PHE A 8 -21.365 -1.117 16.087 1.00 24.96 C ATOM 75 CE2 PHE A 8 -23.428 -2.228 16.656 1.00 29.40 C ATOM 76 CZ PHE A 8 -22.087 -2.280 16.196 1.00 25.05 C ATOM 77 H PHE A 8 -25.858 0.739 15.015 1.00 0.00 H ATOM 78 N PHE A 9 -23.074 3.447 14.945 1.00 23.12 N ATOM 79 CA PHE A 9 -22.093 3.739 13.894 1.00 22.14 C ATOM 80 C PHE A 9 -20.719 3.269 14.361 1.00 24.44 C ATOM 81 O PHE A 9 -20.383 3.411 15.540 1.00 21.75 O ATOM 82 CB PHE A 9 -22.017 5.226 13.614 1.00 22.74 C ATOM 83 CG PHE A 9 -23.211 5.804 12.928 1.00 27.41 C ATOM 84 CD1 PHE A 9 -23.355 5.690 11.549 1.00 23.04 C ATOM 85 CD2 PHE A 9 -24.146 6.537 13.640 1.00 26.94 C ATOM 86 CE1 PHE A 9 -24.425 6.257 10.893 1.00 24.91 C ATOM 87 CE2 PHE A 9 -25.245 7.120 12.985 1.00 25.43 C ATOM 88 CZ PHE A 9 -25.381 6.981 11.609 1.00 30.55 C ATOM 89 H PHE A 9 -23.176 4.120 15.731 1.00 0.00 H ATOM 90 N ALA A 10 -19.903 2.758 13.441 1.00 20.84 N ATOM 91 CA ALA A 10 -18.597 2.275 13.819 1.00 18.16 C ATOM 92 C ALA A 10 -17.576 2.363 12.682 1.00 17.36 C ATOM 93 O ALA A 10 -17.930 2.512 11.500 1.00 21.36 O ATOM 94 CB ALA A 10 -18.678 0.860 14.269 1.00 21.15 C ATOM 95 H ALA A 10 -20.208 2.707 12.448 1.00 0.00 H ATOM 96 N ILE A 11 -16.312 2.250 13.072 1.00 17.52 N ATOM 97 CA ILE A 11 -15.189 2.100 12.157 1.00 19.38 C ATOM 98 C ILE A 11 -14.700 0.666 12.273 1.00 22.79 C ATOM 99 O ILE A 11 -14.589 0.119 13.384 1.00 20.34 O ATOM 100 CB ILE A 11 -14.052 3.077 12.492 1.00 22.26 C ATOM 101 CG1 ILE A 11 -14.367 4.459 11.923 1.00 20.56 C ATOM 102 CG2 ILE A 11 -12.702 2.572 11.946 1.00 23.18 C ATOM 103 CD1 ILE A 11 -13.385 5.523 12.347 1.00 24.46 C ATOM 104 H ILE A 11 -16.112 2.270 14.092 1.00 0.00 H ATOM 105 N ASP A 12 -14.417 0.049 11.135 1.00 20.58 N ATOM 106 CA ASP A 12 -14.013 -1.350 11.121 1.00 20.13 C ATOM 107 C ASP A 12 -12.502 -1.535 10.965 1.00 21.41 C ATOM 108 O ASP A 12 -11.778 -0.595 10.608 1.00 22.56 O ATOM 109 CB ASP A 12 -14.759 -2.091 10.010 1.00 22.48 C ATOM 110 CG ASP A 12 -16.228 -2.343 10.375 1.00 27.54 C ATOM 111 OD1 ASP A 12 -16.457 -3.028 11.389 1.00 31.28 O ATOM 112 OD2 ASP A 12 -17.137 -1.852 9.661 1.00 29.44 O ATOM 113 H ASP A 12 -14.484 0.572 10.238 1.00 0.00 H ATOM 114 N LEU A 13 -12.052 -2.750 11.262 1.00 21.71 N ATOM 115 CA LEU A 13 -10.643 -3.155 11.143 1.00 19.22 C ATOM 116 C LEU A 13 -10.416 -3.972 9.892 1.00 20.34 C ATOM 117 O LEU A 13 -11.207 -4.880 9.598 1.00 24.85 O ATOM 118 CB LEU A 13 -10.225 -4.008 12.360 1.00 24.44 C ATOM 119 CG LEU A 13 -10.247 -3.405 13.756 1.00 32.78 C ATOM 120 CD1 LEU A 13 -10.108 -4.552 14.775 1.00 38.82 C ATOM 121 CD2 LEU A 13 -9.118 -2.444 13.927 1.00 33.23 C ATOM 122 H LEU A 13 -12.737 -3.456 11.599 1.00 0.00 H ATOM 123 N PRO A 14 -9.321 -3.689 9.157 1.00 22.56 N ATOM 124 CA PRO A 14 -8.937 -4.568 8.040 1.00 23.66 C ATOM 125 C PRO A 14 -8.656 -5.977 8.559 1.00 25.45 C ATOM 126 O PRO A 14 -8.248 -6.125 9.704 1.00 22.40 O ATOM 127 CB PRO A 14 -7.646 -3.915 7.474 1.00 23.63 C ATOM 128 CG PRO A 14 -7.587 -2.541 8.061 1.00 30.58 C ATOM 129 CD PRO A 14 -8.368 -2.586 9.370 1.00 24.70 C ATOM 130 N ALA A 15 -8.860 -6.992 7.727 1.00 28.37 N ATOM 131 CA ALA A 15 -8.771 -8.381 8.175 1.00 29.97 C ATOM 132 C ALA A 15 -7.393 -8.741 8.757 1.00 32.87 C ATOM 133 O ALA A 15 -7.306 -9.443 9.760 1.00 28.41 O ATOM 134 CB ALA A 15 -9.106 -9.307 7.032 1.00 38.85 C ATOM 135 H ALA A 15 -9.089 -6.794 6.732 1.00 0.00 H ATOM 136 N GLU A 16 -6.332 -8.249 8.123 1.00 32.33 N ATOM 137 CA GLU A 16 -4.969 -8.524 8.574 1.00 35.30 C ATOM 138 C GLU A 16 -4.755 -8.092 10.023 1.00 27.21 C ATOM 139 O GLU A 16 -4.210 -8.833 10.833 1.00 29.89 O ATOM 140 CB GLU A 16 -3.953 -7.814 7.675 1.00 40.83 C ATOM 141 CG GLU A 16 -2.524 -8.314 7.840 1.00 50.14 C ATOM 142 CD GLU A 16 -1.509 -7.185 7.883 1.00 52.41 C ATOM 143 OE1 GLU A 16 -1.640 -6.305 8.762 1.00 46.23 O ATOM 144 OE2 GLU A 16 -0.583 -7.179 7.040 1.00 52.94 O ATOM 145 H GLU A 16 -6.476 -7.652 7.283 1.00 0.00 H ATOM 146 N ILE A 17 -5.184 -6.878 10.338 1.00 24.92 N ATOM 147 CA ILE A 17 -5.004 -6.316 11.671 1.00 22.82 C ATOM 148 C ILE A 17 -5.882 -7.045 12.679 1.00 26.76 C ATOM 149 O ILE A 17 -5.459 -7.325 13.806 1.00 24.90 O ATOM 150 CB ILE A 17 -5.294 -4.813 11.652 1.00 23.91 C ATOM 151 CG1 ILE A 17 -4.229 -4.128 10.784 1.00 34.21 C ATOM 152 CG2 ILE A 17 -5.281 -4.240 13.054 1.00 27.55 C ATOM 153 CD1 ILE A 17 -4.204 -2.650 10.912 1.00 40.34 C ATOM 154 H ILE A 17 -5.664 -6.309 9.612 1.00 0.00 H ATOM 155 N ARG A 18 -7.103 -7.377 12.281 1.00 23.83 N ATOM 156 CA ARG A 18 -7.981 -8.169 13.147 1.00 22.41 C ATOM 157 C ARG A 18 -7.312 -9.508 13.508 1.00 25.34 C ATOM 158 O ARG A 18 -7.363 -9.955 14.662 1.00 23.76 O ATOM 159 CB ARG A 18 -9.342 -8.387 12.461 1.00 26.73 C ATOM 160 CG ARG A 18 -10.359 -9.241 13.231 1.00 30.20 C ATOM 161 CD ARG A 18 -11.602 -9.564 12.359 1.00 32.68 C ATOM 162 NE ARG A 18 -12.023 -8.409 11.553 1.00 32.12 N ATOM 163 CZ ARG A 18 -12.840 -7.446 11.975 1.00 29.89 C ATOM 164 NH1 ARG A 18 -13.363 -7.487 13.199 1.00 26.71 N ATOM 165 NH2 ARG A 18 -13.147 -6.440 11.163 1.00 25.98 N ATOM 166 HE ARG A 18 -11.656 -8.339 10.582 1.00 0.00 H ATOM 167 HH12 ARG A 18 -14.000 -6.729 13.518 1.00 0.00 H ATOM 168 HH11 ARG A 18 -13.134 -8.277 13.836 1.00 0.00 H ATOM 169 HH22 ARG A 18 -13.785 -5.685 11.488 1.00 0.00 H ATOM 170 HH21 ARG A 18 -12.750 -6.407 10.202 1.00 0.00 H ATOM 171 H ARG A 18 -7.440 -7.072 11.346 1.00 0.00 H ATOM 172 N GLU A 19 -6.680 -10.147 12.526 1.00 28.96 N ATOM 173 CA GLU A 19 -6.006 -11.407 12.791 1.00 29.51 C ATOM 174 C GLU A 19 -4.844 -11.202 13.746 1.00 31.36 C ATOM 175 O GLU A 19 -4.646 -11.994 14.669 1.00 30.92 O ATOM 176 CB GLU A 19 -5.519 -12.057 11.493 1.00 43.76 C ATOM 177 CG GLU A 19 -6.497 -13.072 10.932 1.00 64.94 C ATOM 178 CD GLU A 19 -6.835 -14.159 11.941 1.00 75.99 C ATOM 179 OE1 GLU A 19 -5.902 -14.816 12.456 1.00 81.21 O ATOM 180 OE2 GLU A 19 -8.035 -14.344 12.231 1.00 77.98 O ATOM 181 H GLU A 19 -6.669 -9.744 11.567 1.00 0.00 H ATOM 182 N GLN A 20 -4.075 -10.139 13.539 1.00 26.44 N ATOM 183 CA GLN A 20 -2.994 -9.841 14.481 1.00 30.79 C ATOM 184 C GLN A 20 -3.491 -9.592 15.895 1.00 30.23 C ATOM 185 O GLN A 20 -2.859 -10.010 16.875 1.00 26.32 O ATOM 186 CB GLN A 20 -2.208 -8.630 14.028 1.00 25.97 C ATOM 187 CG GLN A 20 -1.379 -8.851 12.782 1.00 28.68 C ATOM 188 CD GLN A 20 -0.851 -7.537 12.271 1.00 38.35 C ATOM 189 OE1 GLN A 20 -1.618 -6.681 11.831 1.00 45.27 O ATOM 190 NE2 GLN A 20 0.442 -7.341 12.381 1.00 36.33 N ATOM 191 HE22 GLN A 20 1.052 -8.094 12.759 1.00 0.00 H ATOM 192 HE21 GLN A 20 0.857 -6.433 12.090 1.00 0.00 H ATOM 193 H GLN A 20 -4.239 -9.524 12.716 1.00 0.00 H ATOM 194 N ILE A 21 -4.608 -8.889 16.007 1.00 22.70 N ATOM 195 CA ILE A 21 -5.140 -8.549 17.307 1.00 25.12 C ATOM 196 C ILE A 21 -5.560 -9.830 18.040 1.00 30.07 C ATOM 197 O ILE A 21 -5.267 -9.996 19.219 1.00 27.25 O ATOM 198 CB ILE A 21 -6.321 -7.584 17.173 1.00 23.51 C ATOM 199 CG1 ILE A 21 -5.825 -6.187 16.792 1.00 25.21 C ATOM 200 CG2 ILE A 21 -7.110 -7.520 18.462 1.00 23.80 C ATOM 201 CD1 ILE A 21 -6.956 -5.276 16.321 1.00 25.45 C ATOM 202 H ILE A 21 -5.108 -8.578 15.150 1.00 0.00 H ATOM 203 N ILE A 22 -6.228 -10.750 17.351 1.00 24.17 N ATOM 204 CA ILE A 22 -6.709 -11.937 18.055 1.00 28.48 C ATOM 205 C ILE A 22 -5.546 -12.845 18.424 1.00 33.91 C ATOM 206 O ILE A 22 -5.594 -13.515 19.449 1.00 31.44 O ATOM 207 CB ILE A 22 -7.757 -12.731 17.246 1.00 38.80 C ATOM 208 CG1 ILE A 22 -7.196 -13.157 15.898 1.00 48.03 C ATOM 209 CG2 ILE A 22 -9.036 -11.892 17.060 1.00 35.13 C ATOM 210 CD1 ILE A 22 -7.994 -14.268 15.242 1.00 52.59 C ATOM 211 H ILE A 22 -6.404 -10.628 16.333 1.00 0.00 H ATOM 212 N HIS A 23 -4.502 -12.861 17.599 1.00 31.47 N ATOM 213 CA HIS A 23 -3.316 -13.653 17.906 1.00 33.17 C ATOM 214 C HIS A 23 -2.627 -13.132 19.165 1.00 34.21 C ATOM 215 O HIS A 23 -2.233 -13.908 20.040 1.00 32.73 O ATOM 216 CB HIS A 23 -2.341 -13.643 16.727 1.00 33.83 C ATOM 217 CG HIS A 23 -2.806 -14.445 15.552 1.00 40.24 C ATOM 218 ND1 HIS A 23 -3.550 -15.598 15.685 1.00 46.85 N ATOM 219 CD2 HIS A 23 -2.631 -14.262 14.222 1.00 45.15 C ATOM 220 CE1 HIS A 23 -3.815 -16.089 14.488 1.00 50.11 C ATOM 221 NE2 HIS A 23 -3.269 -15.296 13.583 1.00 47.50 N ATOM 222 H HIS A 23 -4.532 -12.301 16.723 1.00 0.00 H ATOM 223 N TRP A 24 -2.481 -11.811 19.237 1.00 28.46 N ATOM 224 CA TRP A 24 -1.882 -11.134 20.393 1.00 28.46 C ATOM 225 C TRP A 24 -2.729 -11.316 21.659 1.00 28.45 C ATOM 226 O TRP A 24 -2.201 -11.511 22.750 1.00 32.81 O ATOM 227 CB TRP A 24 -1.731 -9.648 20.065 1.00 26.65 C ATOM 228 CG TRP A 24 -1.291 -8.707 21.159 1.00 27.47 C ATOM 229 CD1 TRP A 24 -0.012 -8.302 21.438 1.00 30.69 C ATOM 230 CD2 TRP A 24 -2.143 -7.972 22.048 1.00 26.63 C ATOM 231 NE1 TRP A 24 -0.018 -7.374 22.457 1.00 29.59 N ATOM 232 CE2 TRP A 24 -1.312 -7.168 22.859 1.00 32.15 C ATOM 233 CE3 TRP A 24 -3.527 -7.934 22.253 1.00 27.44 C ATOM 234 CZ2 TRP A 24 -1.822 -6.333 23.861 1.00 31.57 C ATOM 235 CZ3 TRP A 24 -4.031 -7.102 23.244 1.00 31.08 C ATOM 236 CH2 TRP A 24 -3.181 -6.316 24.033 1.00 30.81 C ATOM 237 HE1 TRP A 24 0.821 -6.907 22.855 1.00 0.00 H ATOM 238 H TRP A 24 -2.807 -11.232 18.437 1.00 0.00 H ATOM 239 N ARG A 25 -4.043 -11.223 21.499 1.00 27.10 N ATOM 240 CA ARG A 25 -4.963 -11.376 22.625 1.00 32.68 C ATOM 241 C ARG A 25 -4.839 -12.768 23.219 1.00 33.66 C ATOM 242 O ARG A 25 -4.761 -12.929 24.431 1.00 36.67 O ATOM 243 CB ARG A 25 -6.408 -11.129 22.186 1.00 31.18 C ATOM 244 CG ARG A 25 -7.415 -11.204 23.337 1.00 38.42 C ATOM 245 CD ARG A 25 -8.821 -10.896 22.853 1.00 38.74 C ATOM 246 NE ARG A 25 -9.308 -11.917 21.931 1.00 38.11 N ATOM 247 CZ ARG A 25 -10.406 -11.796 21.191 1.00 33.29 C ATOM 248 NH1 ARG A 25 -10.765 -12.792 20.397 1.00 42.73 N ATOM 249 NH2 ARG A 25 -11.153 -10.692 21.247 1.00 30.08 N ATOM 250 HE ARG A 25 -8.760 -12.797 21.847 1.00 0.00 H ATOM 251 HH12 ARG A 25 -11.622 -12.709 19.813 1.00 0.00 H ATOM 252 HH11 ARG A 25 -10.190 -13.658 20.357 1.00 0.00 H ATOM 253 HH22 ARG A 25 -12.009 -10.613 20.662 1.00 0.00 H ATOM 254 HH21 ARG A 25 -10.879 -9.910 21.876 1.00 0.00 H ATOM 255 H ARG A 25 -4.427 -11.037 20.551 1.00 0.00 H ATOM 256 N ALA A 26 -4.835 -13.773 22.350 1.00 35.59 N ATOM 257 CA ALA A 26 -4.715 -15.162 22.784 1.00 37.53 C ATOM 258 C ALA A 26 -3.402 -15.389 23.519 1.00 46.80 C ATOM 259 O ALA A 26 -3.338 -16.107 24.527 1.00 44.53 O ATOM 260 CB ALA A 26 -4.816 -16.095 21.587 1.00 41.99 C ATOM 261 H ALA A 26 -4.920 -13.565 21.335 1.00 0.00 H ATOM 262 N LYS A 27 -2.347 -14.777 22.995 1.00 39.00 N ATOM 263 CA LYS A 27 -1.022 -14.943 23.552 1.00 42.89 C ATOM 264 C LYS A 27 -0.914 -14.321 24.929 1.00 39.10 C ATOM 265 O LYS A 27 -0.173 -14.806 25.766 1.00 41.48 O ATOM 266 CB LYS A 27 0.025 -14.326 22.624 1.00 43.31 C ATOM 267 CG LYS A 27 1.440 -14.358 23.173 1.00 47.48 C ATOM 268 CD LYS A 27 2.410 -13.681 22.204 1.00 47.07 C ATOM 269 CE LYS A 27 3.831 -13.665 22.760 1.00 66.57 C ATOM 270 NZ LYS A 27 4.727 -12.764 21.968 1.00 72.12 N ATOM 271 HZ1 LYS A 27 4.765 -13.094 20.982 1.00 0.00 H ATOM 272 HZ2 LYS A 27 4.353 -11.794 21.996 1.00 0.00 H ATOM 273 HZ3 LYS A 27 5.683 -12.781 22.377 1.00 0.00 H ATOM 274 H LYS A 27 -2.476 -14.164 22.165 1.00 0.00 H ATOM 275 N HIS A 28 -1.634 -13.234 25.172 1.00 39.90 N ATOM 276 CA HIS A 28 -1.386 -12.495 26.405 1.00 37.00 C ATOM 277 C HIS A 28 -2.500 -12.596 27.444 1.00 43.49 C ATOM 278 O HIS A 28 -2.322 -12.142 28.571 1.00 39.78 O ATOM 279 CB HIS A 28 -1.112 -11.021 26.079 1.00 35.30 C ATOM 280 CG HIS A 28 0.203 -10.797 25.393 1.00 35.71 C ATOM 281 ND1 HIS A 28 1.410 -10.924 26.047 1.00 39.27 N ATOM 282 CD2 HIS A 28 0.501 -10.468 24.111 1.00 37.88 C ATOM 283 CE1 HIS A 28 2.397 -10.679 25.198 1.00 41.52 C ATOM 284 NE2 HIS A 28 1.871 -10.408 24.016 1.00 36.67 N ATOM 285 H HIS A 28 -2.359 -12.915 24.498 1.00 0.00 H ATOM 286 N PHE A 29 -3.633 -13.193 27.081 1.00 38.92 N ATOM 287 CA PHE A 29 -4.778 -13.227 27.984 1.00 40.22 C ATOM 288 C PHE A 29 -5.382 -14.610 28.079 1.00 43.88 C ATOM 289 O PHE A 29 -6.014 -15.087 27.137 1.00 41.20 O ATOM 290 CB PHE A 29 -5.834 -12.216 27.532 1.00 37.23 C ATOM 291 CG PHE A 29 -5.367 -10.800 27.599 1.00 37.35 C ATOM 292 CD1 PHE A 29 -4.865 -10.168 26.474 1.00 35.24 C ATOM 293 CD2 PHE A 29 -5.376 -10.110 28.806 1.00 42.17 C ATOM 294 CE1 PHE A 29 -4.421 -8.853 26.540 1.00 38.75 C ATOM 295 CE2 PHE A 29 -4.933 -8.796 28.877 1.00 36.28 C ATOM 296 CZ PHE A 29 -4.454 -8.167 27.742 1.00 33.53 C ATOM 297 H PHE A 29 -3.703 -13.640 26.144 1.00 0.00 H ATOM 298 N PRO A 30 -5.195 -15.265 29.234 1.00 49.14 N ATOM 299 CA PRO A 30 -5.759 -16.595 29.464 1.00 53.73 C ATOM 300 C PRO A 30 -7.270 -16.489 29.458 1.00 52.51 C ATOM 301 O PRO A 30 -7.774 -15.390 29.684 1.00 48.00 O ATOM 302 CB PRO A 30 -5.236 -16.976 30.854 1.00 51.05 C ATOM 303 CG PRO A 30 -4.176 -15.958 31.174 1.00 54.47 C ATOM 304 CD PRO A 30 -4.543 -14.728 30.435 1.00 46.06 C ATOM 305 N PRO A 31 -7.978 -17.598 29.200 1.00 55.42 N ATOM 306 CA PRO A 31 -9.445 -17.579 29.227 1.00 60.81 C ATOM 307 C PRO A 31 -9.980 -16.906 30.489 1.00 66.21 C ATOM 308 O PRO A 31 -10.983 -16.182 30.431 1.00 65.56 O ATOM 309 CB PRO A 31 -9.807 -19.063 29.192 1.00 68.26 C ATOM 310 CG PRO A 31 -8.690 -19.685 28.401 1.00 67.14 C ATOM 311 CD PRO A 31 -7.446 -18.899 28.754 1.00 59.98 C ATOM 312 N GLU A 32 -9.281 -17.126 31.603 1.00 61.03 N ATOM 313 CA GLU A 32 -9.671 -16.621 32.920 1.00 61.83 C ATOM 314 C GLU A 32 -9.840 -15.107 32.971 1.00 65.41 C ATOM 315 O GLU A 32 -10.608 -14.588 33.785 1.00 70.84 O ATOM 316 CB GLU A 32 -8.631 -17.037 33.982 1.00 61.20 C ATOM 317 CG GLU A 32 -8.430 -18.530 34.137 1.00 65.09 C ATOM 318 CD GLU A 32 -7.248 -19.071 33.353 1.00 62.70 C ATOM 319 OE1 GLU A 32 -7.448 -19.462 32.187 1.00 60.56 O ATOM 320 OE2 GLU A 32 -6.126 -19.135 33.911 1.00 64.08 O ATOM 321 H GLU A 32 -8.409 -17.688 31.532 1.00 0.00 H ATOM 322 N ALA A 33 -9.115 -14.406 32.105 1.00 57.68 N ATOM 323 CA ALA A 33 -9.030 -12.949 32.156 1.00 59.48 C ATOM 324 C ALA A 33 -10.309 -12.245 31.701 1.00 57.04 C ATOM 325 O ALA A 33 -10.522 -11.072 32.006 1.00 51.45 O ATOM 326 CB ALA A 33 -7.853 -12.476 31.314 1.00 52.46 C ATOM 327 H ALA A 33 -8.590 -14.913 31.365 1.00 0.00 H ATOM 328 N GLY A 34 -11.147 -12.950 30.953 1.00 58.44 N ATOM 329 CA GLY A 34 -12.384 -12.366 30.479 1.00 54.48 C ATOM 330 C GLY A 34 -12.887 -13.022 29.216 1.00 52.33 C ATOM 331 O GLY A 34 -12.222 -13.877 28.629 1.00 51.33 O ATOM 332 H GLY A 34 -10.913 -13.932 30.704 1.00 0.00 H ATOM 333 N ARG A 35 -14.069 -12.602 28.788 1.00 49.85 N ATOM 334 CA ARG A 35 -14.731 -13.209 27.652 1.00 47.16 C ATOM 335 C ARG A 35 -14.290 -12.486 26.392 1.00 50.41 C ATOM 336 O ARG A 35 -14.518 -11.284 26.257 1.00 42.91 O ATOM 337 CB ARG A 35 -16.253 -13.148 27.834 1.00 57.50 C ATOM 338 CG ARG A 35 -17.056 -13.776 26.709 1.00 71.65 C ATOM 339 CD ARG A 35 -18.565 -13.756 26.996 1.00 81.53 C ATOM 340 NE ARG A 35 -19.144 -12.409 26.959 1.00 80.35 N ATOM 341 CZ ARG A 35 -19.556 -11.792 25.852 1.00 84.76 C ATOM 342 NH1 ARG A 35 -19.447 -12.387 24.671 1.00 84.08 N ATOM 343 NH2 ARG A 35 -20.072 -10.570 25.923 1.00 87.96 N ATOM 344 HE ARG A 35 -19.240 -11.899 27.860 1.00 0.00 H ATOM 345 HH12 ARG A 35 -19.771 -11.899 23.811 1.00 0.00 H ATOM 346 HH11 ARG A 35 -19.038 -13.341 24.605 1.00 0.00 H ATOM 347 HH22 ARG A 35 -20.393 -10.090 25.058 1.00 0.00 H ATOM 348 HH21 ARG A 35 -20.155 -10.093 26.844 1.00 0.00 H ATOM 349 H ARG A 35 -14.534 -11.814 29.282 1.00 0.00 H ATOM 350 N PRO A 36 -13.628 -13.213 25.478 1.00 44.54 N ATOM 351 CA PRO A 36 -13.101 -12.609 24.254 1.00 44.54 C ATOM 352 C PRO A 36 -14.209 -12.191 23.305 1.00 39.69 C ATOM 353 O PRO A 36 -15.170 -12.929 23.068 1.00 43.27 O ATOM 354 CB PRO A 36 -12.261 -13.724 23.627 1.00 46.04 C ATOM 355 CG PRO A 36 -12.065 -14.734 24.718 1.00 48.14 C ATOM 356 CD PRO A 36 -13.283 -14.639 25.582 1.00 45.65 C ATOM 357 N VAL A 37 -14.083 -10.985 22.787 1.00 41.43 N ATOM 358 CA VAL A 37 -14.944 -10.533 21.708 1.00 40.51 C ATOM 359 C VAL A 37 -14.621 -11.336 20.445 1.00 43.25 C ATOM 360 O VAL A 37 -13.454 -11.452 20.067 1.00 42.84 O ATOM 361 CB VAL A 37 -14.750 -9.018 21.445 1.00 33.91 C ATOM 362 CG1 VAL A 37 -15.646 -8.548 20.300 1.00 38.84 C ATOM 363 CG2 VAL A 37 -15.044 -8.227 22.712 1.00 36.33 C ATOM 364 H VAL A 37 -13.353 -10.345 23.158 1.00 0.00 H ATOM 365 N ALA A 38 -15.647 -11.890 19.801 1.00 45.11 N ATOM 366 CA ALA A 38 -15.456 -12.621 18.550 1.00 44.13 C ATOM 367 C ALA A 38 -14.747 -11.754 17.516 1.00 45.62 C ATOM 368 O ALA A 38 -15.016 -10.552 17.412 1.00 44.62 O ATOM 369 CB ALA A 38 -16.795 -13.109 18.014 1.00 53.44 C ATOM 370 H ALA A 38 -16.605 -11.800 20.197 1.00 0.00 H ATOM 371 N ALA A 39 -13.830 -12.360 16.763 1.00 44.51 N ATOM 372 CA ALA A 39 -12.986 -11.620 15.822 1.00 44.27 C ATOM 373 C ALA A 39 -13.794 -10.715 14.877 1.00 47.52 C ATOM 374 O ALA A 39 -13.426 -9.566 14.621 1.00 39.56 O ATOM 375 CB ALA A 39 -12.137 -12.584 15.015 1.00 53.11 C ATOM 376 H ALA A 39 -13.710 -13.390 16.846 1.00 0.00 H ATOM 377 N ASP A 40 -14.900 -11.244 14.366 1.00 42.98 N ATOM 378 CA ASP A 40 -15.755 -10.502 13.447 1.00 37.59 C ATOM 379 C ASP A 40 -16.413 -9.314 14.107 1.00 38.47 C ATOM 380 O ASP A 40 -16.888 -8.413 13.426 1.00 37.25 O ATOM 381 CB ASP A 40 -16.835 -11.416 12.869 1.00 48.57 C ATOM 382 CG ASP A 40 -16.270 -12.445 11.921 1.00 67.59 C ATOM 383 OD1 ASP A 40 -15.214 -12.166 11.311 1.00 75.02 O ATOM 384 OD2 ASP A 40 -16.874 -13.529 11.787 1.00 80.08 O ATOM 385 H ASP A 40 -15.164 -12.215 14.629 1.00 0.00 H ATOM 386 N ASN A 41 -16.449 -9.309 15.432 1.00 36.93 N ATOM 387 CA ASN A 41 -17.165 -8.267 16.149 1.00 32.82 C ATOM 388 C ASN A 41 -16.260 -7.147 16.637 1.00 33.23 C ATOM 389 O ASN A 41 -16.744 -6.169 17.192 1.00 31.96 O ATOM 390 CB ASN A 41 -17.936 -8.872 17.328 1.00 40.12 C ATOM 391 CG ASN A 41 -19.170 -9.659 16.879 1.00 43.30 C ATOM 392 OD1 ASN A 41 -19.602 -9.565 15.726 1.00 44.70 O ATOM 393 ND2 ASN A 41 -19.744 -10.424 17.792 1.00 52.18 N ATOM 394 HD22 ASN A 41 -19.347 -10.474 18.752 1.00 0.00 H ATOM 395 HD21 ASN A 41 -20.592 -10.975 17.550 1.00 0.00 H ATOM 396 H ASN A 41 -15.960 -10.058 15.963 1.00 0.00 H ATOM 397 N LEU A 42 -14.954 -7.284 16.433 1.00 28.99 N ATOM 398 CA LEU A 42 -14.022 -6.223 16.815 1.00 24.17 C ATOM 399 C LEU A 42 -14.294 -4.985 16.000 1.00 28.66 C ATOM 400 O LEU A 42 -14.327 -5.065 14.784 1.00 26.39 O ATOM 401 CB LEU A 42 -12.574 -6.649 16.590 1.00 23.41 C ATOM 402 CG LEU A 42 -12.117 -7.840 17.414 1.00 31.82 C ATOM 403 CD1 LEU A 42 -10.724 -8.265 16.953 1.00 32.49 C ATOM 404 CD2 LEU A 42 -12.139 -7.475 18.892 1.00 35.37 C ATOM 405 H LEU A 42 -14.590 -8.155 15.997 1.00 0.00 H ATOM 406 N HIS A 43 -14.474 -3.848 16.660 1.00 24.70 N ATOM 407 CA HIS A 43 -14.782 -2.605 15.952 1.00 23.23 C ATOM 408 C HIS A 43 -14.546 -1.443 16.892 1.00 24.79 C ATOM 409 O HIS A 43 -14.363 -1.645 18.080 1.00 23.00 O ATOM 410 CB HIS A 43 -16.234 -2.578 15.471 1.00 18.99 C ATOM 411 CG HIS A 43 -17.220 -2.503 16.596 1.00 22.42 C ATOM 412 ND1 HIS A 43 -17.663 -3.627 17.262 1.00 31.18 N ATOM 413 CD2 HIS A 43 -17.786 -1.445 17.223 1.00 23.46 C ATOM 414 CE1 HIS A 43 -18.500 -3.266 18.222 1.00 34.26 C ATOM 415 NE2 HIS A 43 -18.593 -1.946 18.218 1.00 29.84 N ATOM 416 H HIS A 43 -14.395 -3.840 17.697 1.00 0.00 H ATOM 417 N LEU A 44 -14.604 -0.231 16.355 1.00 19.31 N ATOM 418 CA LEU A 44 -14.456 0.985 17.140 1.00 18.64 C ATOM 419 C LEU A 44 -15.756 1.791 17.045 1.00 21.18 C ATOM 420 O LEU A 44 -16.074 2.319 15.993 1.00 20.77 O ATOM 421 CB LEU A 44 -13.272 1.813 16.619 1.00 19.29 C ATOM 422 CG LEU A 44 -12.886 3.002 17.525 1.00 27.86 C ATOM 423 CD1 LEU A 44 -11.416 3.414 17.262 1.00 29.96 C ATOM 424 CD2 LEU A 44 -13.792 4.200 17.330 1.00 30.55 C ATOM 425 H LEU A 44 -14.762 -0.147 15.330 1.00 0.00 H ATOM 426 N THR A 45 -16.510 1.890 18.133 1.00 21.78 N ATOM 427 CA THR A 45 -17.816 2.526 18.036 1.00 23.32 C ATOM 428 C THR A 45 -17.671 4.037 17.953 1.00 26.37 C ATOM 429 O THR A 45 -16.917 4.621 18.726 1.00 25.09 O ATOM 430 CB THR A 45 -18.698 2.158 19.241 1.00 26.51 C ATOM 431 OG1 THR A 45 -18.936 0.746 19.226 1.00 25.56 O ATOM 432 CG2 THR A 45 -20.034 2.896 19.180 1.00 23.99 C ATOM 433 HG1 THR A 45 -19.504 0.500 19.999 1.00 0.00 H ATOM 434 H THR A 45 -16.172 1.518 19.043 1.00 0.00 H ATOM 435 N LEU A 46 -18.387 4.659 17.016 1.00 20.71 N ATOM 436 CA LEU A 46 -18.436 6.119 16.922 1.00 22.39 C ATOM 437 C LEU A 46 -19.597 6.722 17.715 1.00 26.28 C ATOM 438 O LEU A 46 -19.449 7.736 18.405 1.00 26.53 O ATOM 439 CB LEU A 46 -18.552 6.548 15.467 1.00 21.05 C ATOM 440 CG LEU A 46 -17.369 6.184 14.575 1.00 21.45 C ATOM 441 CD1 LEU A 46 -17.781 6.299 13.101 1.00 19.00 C ATOM 442 CD2 LEU A 46 -16.211 7.141 14.907 1.00 23.24 C ATOM 443 H LEU A 46 -18.926 4.091 16.332 1.00 0.00 H ATOM 444 N ALA A 47 -20.763 6.101 17.597 1.00 23.49 N ATOM 445 CA ALA A 47 -21.960 6.624 18.261 1.00 29.04 C ATOM 446 C ALA A 47 -22.938 5.497 18.436 1.00 26.84 C ATOM 447 O ALA A 47 -23.194 4.755 17.492 1.00 26.84 O ATOM 448 CB ALA A 47 -22.598 7.769 17.445 1.00 29.17 C ATOM 449 H ALA A 47 -20.828 5.234 17.027 1.00 0.00 H ATOM 450 N PHE A 48 -23.462 5.357 19.644 1.00 25.85 N ATOM 451 CA PHE A 48 -24.514 4.386 19.913 1.00 31.35 C ATOM 452 C PHE A 48 -25.887 5.065 19.843 1.00 35.70 C ATOM 453 O PHE A 48 -26.126 6.040 20.546 1.00 37.79 O ATOM 454 CB PHE A 48 -24.314 3.739 21.293 1.00 31.19 C ATOM 455 CG PHE A 48 -25.417 2.767 21.684 1.00 35.70 C ATOM 456 CD1 PHE A 48 -25.494 1.507 21.106 1.00 38.60 C ATOM 457 CD2 PHE A 48 -26.367 3.117 22.638 1.00 40.88 C ATOM 458 CE1 PHE A 48 -26.491 0.615 21.469 1.00 39.19 C ATOM 459 CE2 PHE A 48 -27.375 2.230 23.005 1.00 41.89 C ATOM 460 CZ PHE A 48 -27.437 0.980 22.419 1.00 44.38 C ATOM 461 H PHE A 48 -23.114 5.955 20.420 1.00 0.00 H ATOM 462 N LEU A 49 -26.789 4.544 19.012 1.00 31.89 N ATOM 463 CA LEU A 49 -28.102 5.167 18.813 1.00 36.56 C ATOM 464 C LEU A 49 -29.219 4.568 19.668 1.00 41.62 C ATOM 465 O LEU A 49 -30.285 5.173 19.838 1.00 38.38 O ATOM 466 CB LEU A 49 -28.493 5.072 17.332 1.00 34.03 C ATOM 467 CG LEU A 49 -27.443 5.608 16.364 1.00 38.58 C ATOM 468 CD1 LEU A 49 -27.931 5.472 14.918 1.00 34.19 C ATOM 469 CD2 LEU A 49 -27.118 7.054 16.713 1.00 37.60 C ATOM 470 H LEU A 49 -26.556 3.674 18.492 1.00 0.00 H ATOM 471 N GLY A 50 -28.987 3.377 20.203 1.00 39.46 N ATOM 472 CA GLY A 50 -30.034 2.675 20.917 1.00 38.49 C ATOM 473 C GLY A 50 -31.116 2.156 19.982 1.00 46.55 C ATOM 474 O GLY A 50 -30.854 1.822 18.826 1.00 40.77 O ATOM 475 H GLY A 50 -28.046 2.944 20.109 1.00 0.00 H ATOM 476 N GLU A 51 -32.347 2.086 20.482 1.00 43.32 N ATOM 477 CA GLU A 51 -33.473 1.578 19.698 1.00 45.23 C ATOM 478 C GLU A 51 -34.075 2.651 18.799 1.00 56.06 C ATOM 479 O GLU A 51 -34.576 3.667 19.275 1.00 56.70 O ATOM 480 CB GLU A 51 -34.560 1.023 20.626 1.00 52.21 C ATOM 481 CG GLU A 51 -34.022 0.091 21.695 1.00 58.62 C ATOM 482 CD GLU A 51 -33.529 -1.232 21.127 1.00 59.78 C ATOM 483 OE1 GLU A 51 -32.593 -1.815 21.714 1.00 62.60 O ATOM 484 OE2 GLU A 51 -34.086 -1.694 20.103 1.00 60.50 O ATOM 485 H GLU A 51 -32.514 2.402 21.459 1.00 0.00 H ATOM 486 N VAL A 52 -34.059 2.390 17.498 1.00 43.42 N ATOM 487 CA VAL A 52 -34.394 3.386 16.496 1.00 42.78 C ATOM 488 C VAL A 52 -35.505 2.879 15.602 1.00 45.06 C ATOM 489 O VAL A 52 -35.411 1.777 15.071 1.00 52.63 O ATOM 490 CB VAL A 52 -33.148 3.736 15.620 1.00 38.75 C ATOM 491 CG1 VAL A 52 -33.497 4.759 14.561 1.00 45.54 C ATOM 492 CG2 VAL A 52 -32.017 4.234 16.497 1.00 50.32 C ATOM 493 H VAL A 52 -33.796 1.434 17.184 1.00 0.00 H ATOM 494 N SER A 53 -36.556 3.680 15.442 1.00 47.50 N ATOM 495 CA SER A 53 -37.651 3.348 14.537 1.00 50.02 C ATOM 496 C SER A 53 -37.162 3.369 13.101 1.00 52.75 C ATOM 497 O SER A 53 -36.121 3.940 12.811 1.00 45.98 O ATOM 498 CB SER A 53 -38.797 4.339 14.682 1.00 59.68 C ATOM 499 OG SER A 53 -38.439 5.566 14.066 1.00 51.37 O ATOM 500 HG SER A 53 -39.184 6.211 14.160 1.00 0.00 H ATOM 501 H SER A 53 -36.598 4.570 15.979 1.00 0.00 H ATOM 502 N ALA A 54 -37.932 2.782 12.196 1.00 58.21 N ATOM 503 CA ALA A 54 -37.552 2.790 10.792 1.00 54.33 C ATOM 504 C ALA A 54 -37.485 4.224 10.267 1.00 52.94 C ATOM 505 O ALA A 54 -36.573 4.573 9.529 1.00 51.23 O ATOM 506 CB ALA A 54 -38.528 1.962 9.976 1.00 55.73 C ATOM 507 H ALA A 54 -38.812 2.313 12.491 1.00 0.00 H ATOM 508 N GLU A 55 -38.448 5.057 10.661 1.00 49.83 N ATOM 509 CA GLU A 55 -38.477 6.454 10.226 1.00 52.97 C ATOM 510 C GLU A 55 -37.264 7.232 10.742 1.00 49.23 C ATOM 511 O GLU A 55 -36.667 8.025 10.018 1.00 46.10 O ATOM 512 CB GLU A 55 -39.774 7.130 10.686 1.00 63.14 C ATOM 513 CG GLU A 55 -39.844 8.631 10.404 1.00 66.57 C ATOM 514 CD GLU A 55 -41.229 9.223 10.670 1.00 79.77 C ATOM 515 OE1 GLU A 55 -42.029 8.585 11.387 1.00 83.69 O ATOM 516 OE2 GLU A 55 -41.522 10.327 10.157 1.00 76.93 O ATOM 517 H GLU A 55 -39.196 4.706 11.292 1.00 0.00 H ATOM 518 N LYS A 56 -36.904 7.003 11.997 1.00 46.85 N ATOM 519 CA LYS A 56 -35.775 7.694 12.611 1.00 45.01 C ATOM 520 C LYS A 56 -34.462 7.237 11.973 1.00 43.45 C ATOM 521 O LYS A 56 -33.547 8.038 11.742 1.00 39.75 O ATOM 522 CB LYS A 56 -35.761 7.442 14.122 1.00 47.57 C ATOM 523 CG LYS A 56 -34.561 8.027 14.858 1.00 52.92 C ATOM 524 CD LYS A 56 -34.545 9.543 14.784 1.00 63.55 C ATOM 525 CE LYS A 56 -35.670 10.166 15.602 1.00 75.50 C ATOM 526 NZ LYS A 56 -35.621 11.656 15.536 1.00 75.54 N ATOM 527 HZ1 LYS A 56 -34.711 11.989 15.914 1.00 0.00 H ATOM 528 HZ2 LYS A 56 -35.720 11.961 14.547 1.00 0.00 H ATOM 529 HZ3 LYS A 56 -36.398 12.053 16.102 1.00 0.00 H ATOM 530 H LYS A 56 -37.441 6.312 12.559 1.00 0.00 H ATOM 531 N GLU A 57 -34.366 5.943 11.687 1.00 39.08 N ATOM 532 CA GLU A 57 -33.174 5.418 11.028 1.00 36.13 C ATOM 533 C GLU A 57 -32.947 6.090 9.675 1.00 41.11 C ATOM 534 O GLU A 57 -31.829 6.475 9.353 1.00 33.93 O ATOM 535 CB GLU A 57 -33.270 3.909 10.838 1.00 36.56 C ATOM 536 CG GLU A 57 -32.094 3.351 10.080 1.00 41.33 C ATOM 537 CD GLU A 57 -32.281 1.899 9.671 1.00 52.47 C ATOM 538 OE1 GLU A 57 -33.045 1.180 10.346 1.00 56.39 O ATOM 539 OE2 GLU A 57 -31.654 1.480 8.673 1.00 57.56 O ATOM 540 H GLU A 57 -35.145 5.300 11.934 1.00 0.00 H ATOM 541 N LYS A 58 -34.011 6.236 8.895 1.00 40.08 N ATOM 542 CA LYS A 58 -33.918 6.904 7.599 1.00 47.60 C ATOM 543 C LYS A 58 -33.433 8.355 7.737 1.00 46.05 C ATOM 544 O LYS A 58 -32.564 8.796 6.987 1.00 37.78 O ATOM 545 CB LYS A 58 -35.267 6.876 6.879 1.00 47.53 C ATOM 546 CG LYS A 58 -35.222 7.515 5.507 1.00 56.53 C ATOM 547 CD LYS A 58 -36.560 7.419 4.790 1.00 66.91 C ATOM 548 CE LYS A 58 -36.506 8.129 3.443 1.00 71.05 C ATOM 549 NZ LYS A 58 -37.821 8.095 2.742 1.00 76.52 N ATOM 550 HZ1 LYS A 58 -38.100 7.107 2.578 1.00 0.00 H ATOM 551 HZ2 LYS A 58 -38.538 8.566 3.330 1.00 0.00 H ATOM 552 HZ3 LYS A 58 -37.739 8.589 1.830 1.00 0.00 H ATOM 553 H LYS A 58 -34.930 5.867 9.213 1.00 0.00 H ATOM 554 N ALA A 59 -33.990 9.095 8.695 1.00 41.24 N ATOM 555 CA ALA A 59 -33.562 10.478 8.915 1.00 43.70 C ATOM 556 C ALA A 59 -32.085 10.568 9.346 1.00 41.08 C ATOM 557 O ALA A 59 -31.343 11.417 8.843 1.00 39.25 O ATOM 558 CB ALA A 59 -34.463 11.157 9.944 1.00 44.16 C ATOM 559 H ALA A 59 -34.736 8.686 9.293 1.00 0.00 H ATOM 560 N LEU A 60 -31.659 9.692 10.259 1.00 34.59 N ATOM 561 CA LEU A 60 -30.272 9.675 10.714 1.00 32.11 C ATOM 562 C LEU A 60 -29.308 9.302 9.593 1.00 37.26 C ATOM 563 O LEU A 60 -28.204 9.860 9.493 1.00 32.10 O ATOM 564 CB LEU A 60 -30.102 8.708 11.888 1.00 31.33 C ATOM 565 CG LEU A 60 -30.739 9.227 13.177 1.00 41.28 C ATOM 566 CD1 LEU A 60 -30.447 8.296 14.338 1.00 42.28 C ATOM 567 CD2 LEU A 60 -30.265 10.640 13.484 1.00 40.77 C ATOM 568 H LEU A 60 -32.332 9.005 10.656 1.00 0.00 H ATOM 569 N SER A 61 -29.733 8.364 8.749 1.00 33.67 N ATOM 570 CA SER A 61 -28.918 7.928 7.618 1.00 31.71 C ATOM 571 C SER A 61 -28.701 9.049 6.620 1.00 29.80 C ATOM 572 O SER A 61 -27.608 9.161 6.030 1.00 30.50 O ATOM 573 CB SER A 61 -29.563 6.731 6.927 1.00 37.04 C ATOM 574 OG SER A 61 -29.491 5.597 7.770 1.00 37.86 O ATOM 575 HG SER A 61 -29.970 5.785 8.616 1.00 0.00 H ATOM 576 H SER A 61 -30.667 7.932 8.899 1.00 0.00 H ATOM 577 N LEU A 62 -29.736 9.861 6.412 1.00 32.10 N ATOM 578 CA LEU A 62 -29.620 11.011 5.526 1.00 33.83 C ATOM 579 C LEU A 62 -28.608 11.994 6.092 1.00 33.01 C ATOM 580 O LEU A 62 -27.766 12.499 5.359 1.00 35.72 O ATOM 581 CB LEU A 62 -30.976 11.702 5.311 1.00 39.93 C ATOM 582 CG LEU A 62 -31.922 10.970 4.358 1.00 47.33 C ATOM 583 CD1 LEU A 62 -33.317 11.601 4.351 1.00 49.77 C ATOM 584 CD2 LEU A 62 -31.329 10.934 2.953 1.00 53.51 C ATOM 585 H LEU A 62 -30.640 9.671 6.889 1.00 0.00 H ATOM 586 N LEU A 63 -28.690 12.265 7.396 1.00 32.77 N ATOM 587 CA LEU A 63 -27.732 13.170 8.030 1.00 33.04 C ATOM 588 C LEU A 63 -26.307 12.615 7.918 1.00 30.14 C ATOM 589 O LEU A 63 -25.366 13.356 7.594 1.00 30.46 O ATOM 590 CB LEU A 63 -28.096 13.425 9.498 1.00 37.84 C ATOM 591 CG LEU A 63 -29.341 14.294 9.739 1.00 43.45 C ATOM 592 CD1 LEU A 63 -29.551 14.535 11.235 1.00 37.63 C ATOM 593 CD2 LEU A 63 -29.268 15.633 8.966 1.00 43.12 C ATOM 594 H LEU A 63 -29.442 11.829 7.967 1.00 0.00 H ATOM 595 N ALA A 64 -26.144 11.322 8.168 1.00 28.12 N ATOM 596 CA ALA A 64 -24.831 10.693 8.014 1.00 26.04 C ATOM 597 C ALA A 64 -24.290 10.869 6.592 1.00 28.13 C ATOM 598 O ALA A 64 -23.080 11.008 6.394 1.00 26.49 O ATOM 599 CB ALA A 64 -24.889 9.208 8.367 1.00 24.45 C ATOM 600 H ALA A 64 -26.956 10.750 8.476 1.00 0.00 H ATOM 601 N GLY A 65 -25.188 10.846 5.607 1.00 28.24 N ATOM 602 CA GLY A 65 -24.805 10.981 4.212 1.00 28.80 C ATOM 603 C GLY A 65 -24.421 12.398 3.821 1.00 35.87 C ATOM 604 O GLY A 65 -23.923 12.623 2.714 1.00 31.84 O ATOM 605 H GLY A 65 -26.194 10.728 5.844 1.00 0.00 H ATOM 606 N ARG A 66 -24.644 13.353 4.722 1.00 31.50 N ATOM 607 CA ARG A 66 -24.250 14.735 4.477 1.00 33.83 C ATOM 608 C ARG A 66 -22.810 15.015 4.933 1.00 33.15 C ATOM 609 O ARG A 66 -22.221 16.034 4.582 1.00 35.30 O ATOM 610 CB ARG A 66 -25.217 15.710 5.182 1.00 35.94 C ATOM 611 CG ARG A 66 -26.687 15.619 4.739 1.00 37.38 C ATOM 612 CD ARG A 66 -27.486 16.858 5.246 1.00 40.46 C ATOM 613 NE ARG A 66 -26.681 18.051 4.993 1.00 70.43 N ATOM 614 CZ ARG A 66 -26.304 18.941 5.908 1.00 62.33 C ATOM 615 NH1 ARG A 66 -25.538 19.955 5.536 1.00 51.74 N ATOM 616 NH2 ARG A 66 -26.692 18.834 7.180 1.00 59.65 N ATOM 617 HE ARG A 66 -26.376 18.219 4.013 1.00 0.00 H ATOM 618 HH12 ARG A 66 -25.233 20.661 6.236 1.00 0.00 H ATOM 619 HH11 ARG A 66 -25.241 20.046 4.543 1.00 0.00 H ATOM 620 HH22 ARG A 66 -26.385 19.541 7.878 1.00 0.00 H ATOM 621 HH21 ARG A 66 -27.301 18.044 7.473 1.00 0.00 H ATOM 622 H ARG A 66 -25.109 13.108 5.619 1.00 0.00 H ATOM 623 N ILE A 67 -22.246 14.096 5.707 1.00 22.36 N ATOM 624 CA ILE A 67 -20.907 14.290 6.272 1.00 21.99 C ATOM 625 C ILE A 67 -19.854 14.339 5.165 1.00 28.51 C ATOM 626 O ILE A 67 -19.847 13.494 4.275 1.00 26.22 O ATOM 627 CB ILE A 67 -20.562 13.169 7.284 1.00 24.23 C ATOM 628 CG1 ILE A 67 -21.383 13.372 8.569 1.00 28.49 C ATOM 629 CG2 ILE A 67 -19.032 13.112 7.564 1.00 21.58 C ATOM 630 CD1 ILE A 67 -21.244 12.217 9.581 1.00 29.80 C ATOM 631 H ILE A 67 -22.765 13.220 5.917 1.00 0.00 H ATOM 632 N ARG A 68 -18.978 15.330 5.252 1.00 24.96 N ATOM 633 CA ARG A 68 -17.851 15.497 4.325 1.00 28.00 C ATOM 634 C ARG A 68 -16.577 15.661 5.124 1.00 30.37 C ATOM 635 O ARG A 68 -16.326 16.693 5.744 1.00 31.67 O ATOM 636 CB ARG A 68 -18.057 16.726 3.425 1.00 28.38 C ATOM 637 CG ARG A 68 -19.337 16.706 2.626 1.00 29.65 C ATOM 638 CD ARG A 68 -19.272 15.684 1.481 1.00 33.71 C ATOM 639 NE ARG A 68 -20.507 15.740 0.715 1.00 31.07 N ATOM 640 CZ ARG A 68 -21.569 14.979 0.955 1.00 32.00 C ATOM 641 NH1 ARG A 68 -21.532 14.058 1.922 1.00 32.34 N ATOM 642 NH2 ARG A 68 -22.659 15.138 0.227 1.00 29.50 N ATOM 643 HE ARG A 68 -20.562 16.419 -0.071 1.00 0.00 H ATOM 644 HH12 ARG A 68 -22.366 13.464 2.107 1.00 0.00 H ATOM 645 HH11 ARG A 68 -20.670 13.935 2.490 1.00 0.00 H ATOM 646 HH22 ARG A 68 -23.496 14.547 0.407 1.00 0.00 H ATOM 647 HH21 ARG A 68 -22.681 15.854 -0.527 1.00 0.00 H ATOM 648 H ARG A 68 -19.095 16.025 6.016 1.00 0.00 H ATOM 649 N GLN A 69 -15.762 14.641 5.159 1.00 30.34 N ATOM 650 CA GLN A 69 -14.466 14.875 5.718 1.00 37.71 C ATOM 651 C GLN A 69 -13.520 13.854 5.186 1.00 28.71 C ATOM 652 O GLN A 69 -13.946 12.771 4.788 1.00 34.70 O ATOM 653 CB GLN A 69 -14.529 14.820 7.222 1.00 38.41 C ATOM 654 CG GLN A 69 -14.942 13.489 7.734 1.00 31.64 C ATOM 655 CD GLN A 69 -14.583 13.377 9.190 1.00 45.96 C ATOM 656 OE1 GLN A 69 -15.327 13.837 10.061 1.00 43.50 O ATOM 657 NE2 GLN A 69 -13.415 12.819 9.463 1.00 45.86 N ATOM 658 HE22 GLN A 69 -12.824 12.446 8.693 1.00 0.00 H ATOM 659 HE21 GLN A 69 -13.088 12.753 10.448 1.00 0.00 H ATOM 660 H GLN A 69 -16.041 13.706 4.799 1.00 0.00 H ATOM 661 N PRO A 70 -12.239 14.206 5.165 1.00 29.98 N ATOM 662 CA PRO A 70 -11.174 13.331 4.689 1.00 29.07 C ATOM 663 C PRO A 70 -11.040 12.076 5.534 1.00 26.16 C ATOM 664 O PRO A 70 -11.377 12.069 6.716 1.00 27.79 O ATOM 665 CB PRO A 70 -9.914 14.201 4.824 1.00 34.90 C ATOM 666 CG PRO A 70 -10.399 15.583 4.871 1.00 42.87 C ATOM 667 CD PRO A 70 -11.738 15.546 5.516 1.00 35.11 C ATOM 668 N GLY A 71 -10.522 11.024 4.930 1.00 26.39 N ATOM 669 CA GLY A 71 -10.157 9.851 5.695 1.00 28.66 C ATOM 670 C GLY A 71 -8.940 10.166 6.541 1.00 29.56 C ATOM 671 O GLY A 71 -8.359 11.253 6.459 1.00 29.42 O ATOM 672 H GLY A 71 -10.375 11.038 3.900 1.00 0.00 H ATOM 673 N PHE A 72 -8.543 9.218 7.371 1.00 22.41 N ATOM 674 CA PHE A 72 -7.429 9.467 8.270 1.00 24.06 C ATOM 675 C PHE A 72 -6.818 8.134 8.595 1.00 25.38 C ATOM 676 O PHE A 72 -7.428 7.093 8.342 1.00 22.98 O ATOM 677 CB PHE A 72 -7.896 10.187 9.545 1.00 26.40 C ATOM 678 CG PHE A 72 -9.107 9.573 10.156 1.00 23.85 C ATOM 679 CD1 PHE A 72 -10.363 10.075 9.881 1.00 27.51 C ATOM 680 CD2 PHE A 72 -8.999 8.449 10.970 1.00 27.68 C ATOM 681 CE1 PHE A 72 -11.500 9.492 10.434 1.00 29.58 C ATOM 682 CE2 PHE A 72 -10.124 7.863 11.514 1.00 25.93 C ATOM 683 CZ PHE A 72 -11.368 8.383 11.258 1.00 28.18 C ATOM 684 H PHE A 72 -9.026 8.297 7.381 1.00 0.00 H ATOM 685 N THR A 73 -5.608 8.179 9.139 1.00 23.97 N ATOM 686 CA THR A 73 -4.910 6.984 9.586 1.00 23.86 C ATOM 687 C THR A 73 -5.102 6.736 11.093 1.00 19.89 C ATOM 688 O THR A 73 -4.995 7.649 11.902 1.00 23.35 O ATOM 689 CB THR A 73 -3.443 7.118 9.263 1.00 27.07 C ATOM 690 OG1 THR A 73 -3.320 7.112 7.844 1.00 31.98 O ATOM 691 CG2 THR A 73 -2.637 5.972 9.843 1.00 26.11 C ATOM 692 HG1 THR A 73 -3.679 6.261 7.486 1.00 0.00 H ATOM 693 H THR A 73 -5.142 9.102 9.250 1.00 0.00 H ATOM 694 N LEU A 74 -5.446 5.506 11.451 1.00 16.56 N ATOM 695 CA LEU A 74 -5.446 5.119 12.854 1.00 19.95 C ATOM 696 C LEU A 74 -4.217 4.280 13.114 1.00 18.88 C ATOM 697 O LEU A 74 -3.882 3.401 12.319 1.00 22.44 O ATOM 698 CB LEU A 74 -6.704 4.327 13.225 1.00 24.21 C ATOM 699 CG LEU A 74 -8.056 5.038 13.169 1.00 25.08 C ATOM 700 CD1 LEU A 74 -9.180 4.089 13.574 1.00 25.08 C ATOM 701 CD2 LEU A 74 -8.042 6.251 14.064 1.00 29.39 C ATOM 702 H LEU A 74 -5.718 4.813 10.724 1.00 0.00 H ATOM 703 N THR A 75 -3.558 4.543 14.234 1.00 19.39 N ATOM 704 CA THR A 75 -2.434 3.716 14.678 1.00 15.64 C ATOM 705 C THR A 75 -2.687 3.335 16.117 1.00 21.15 C ATOM 706 O THR A 75 -2.672 4.204 16.975 1.00 19.38 O ATOM 707 CB THR A 75 -1.113 4.458 14.552 1.00 20.03 C ATOM 708 OG1 THR A 75 -0.919 4.805 13.169 1.00 23.48 O ATOM 709 CG2 THR A 75 0.068 3.588 15.042 1.00 20.53 C ATOM 710 HG1 THR A 75 -0.062 5.290 13.069 1.00 0.00 H ATOM 711 H THR A 75 -3.847 5.358 14.812 1.00 0.00 H ATOM 712 N LEU A 76 -2.918 2.050 16.367 1.00 17.64 N ATOM 713 CA LEU A 76 -3.267 1.583 17.713 1.00 20.36 C ATOM 714 C LEU A 76 -1.993 1.396 18.520 1.00 22.09 C ATOM 715 O LEU A 76 -1.320 0.379 18.399 1.00 23.94 O ATOM 716 CB LEU A 76 -4.059 0.273 17.648 1.00 23.21 C ATOM 717 CG LEU A 76 -5.281 0.360 16.728 1.00 21.51 C ATOM 718 CD1 LEU A 76 -5.920 -1.019 16.524 1.00 25.41 C ATOM 719 CD2 LEU A 76 -6.247 1.352 17.380 1.00 25.64 C ATOM 720 H LEU A 76 -2.850 1.361 15.591 1.00 0.00 H ATOM 721 N ASP A 77 -1.681 2.376 19.353 1.00 20.26 N ATOM 722 CA ASP A 77 -0.464 2.339 20.148 1.00 22.07 C ATOM 723 C ASP A 77 -0.698 2.122 21.653 1.00 23.62 C ATOM 724 O ASP A 77 0.256 2.102 22.426 1.00 25.10 O ATOM 725 CB ASP A 77 0.331 3.636 19.907 1.00 19.93 C ATOM 726 CG ASP A 77 -0.429 4.903 20.319 1.00 26.76 C ATOM 727 OD1 ASP A 77 0.171 6.012 20.297 1.00 22.74 O ATOM 728 OD2 ASP A 77 -1.622 4.811 20.675 1.00 27.81 O ATOM 729 H ASP A 77 -2.321 3.191 19.441 1.00 0.00 H ATOM 730 N ASP A 78 -1.961 1.925 22.038 1.00 21.35 N ATOM 731 CA ASP A 78 -2.357 1.857 23.456 1.00 22.71 C ATOM 732 C ASP A 78 -3.219 0.630 23.777 1.00 25.46 C ATOM 733 O ASP A 78 -3.897 0.101 22.900 1.00 24.32 O ATOM 734 CB ASP A 78 -3.122 3.125 23.840 1.00 28.66 C ATOM 735 CG ASP A 78 -2.864 3.560 25.276 1.00 33.49 C ATOM 736 OD1 ASP A 78 -2.232 2.802 26.041 1.00 31.60 O ATOM 737 OD2 ASP A 78 -3.298 4.670 25.632 1.00 34.96 O ATOM 738 H ASP A 78 -2.694 1.815 21.309 1.00 0.00 H ATOM 739 N ALA A 79 -3.187 0.181 25.032 1.00 26.07 N ATOM 740 CA ALA A 79 -4.104 -0.847 25.503 1.00 27.60 C ATOM 741 C ALA A 79 -4.332 -0.572 26.971 1.00 33.38 C ATOM 742 O ALA A 79 -3.447 -0.026 27.623 1.00 32.16 O ATOM 743 CB ALA A 79 -3.526 -2.228 25.300 1.00 27.27 C ATOM 744 H ALA A 79 -2.488 0.576 25.693 1.00 0.00 H ATOM 745 N GLY A 80 -5.506 -0.930 27.487 1.00 26.55 N ATOM 746 CA GLY A 80 -5.814 -0.671 28.882 1.00 30.23 C ATOM 747 C GLY A 80 -6.991 -1.492 29.365 1.00 36.00 C ATOM 748 O GLY A 80 -7.552 -2.305 28.633 1.00 32.69 O ATOM 749 H GLY A 80 -6.211 -1.401 26.884 1.00 0.00 H ATOM 750 N GLN A 81 -7.363 -1.275 30.621 1.00 32.13 N ATOM 751 CA GLN A 81 -8.532 -1.935 31.178 1.00 38.95 C ATOM 752 C GLN A 81 -9.413 -0.888 31.825 1.00 39.66 C ATOM 753 O GLN A 81 -8.914 0.002 32.509 1.00 41.59 O ATOM 754 CB GLN A 81 -8.105 -2.998 32.187 1.00 41.70 C ATOM 755 CG GLN A 81 -9.240 -3.768 32.848 1.00 47.68 C ATOM 756 CD GLN A 81 -8.754 -5.038 33.539 1.00 51.79 C ATOM 757 OE1 GLN A 81 -7.551 -5.216 33.776 1.00 52.33 O ATOM 758 NE2 GLN A 81 -9.687 -5.932 33.855 1.00 50.96 N ATOM 759 HE22 GLN A 81 -10.686 -5.741 33.637 1.00 0.00 H ATOM 760 HE21 GLN A 81 -9.418 -6.822 34.320 1.00 0.00 H ATOM 761 H GLN A 81 -6.810 -0.624 31.214 1.00 0.00 H ATOM 762 N TRP A 82 -10.717 -0.965 31.599 1.00 34.65 N ATOM 763 CA TRP A 82 -11.644 -0.152 32.406 1.00 45.17 C ATOM 764 C TRP A 82 -12.436 -1.034 33.356 1.00 47.69 C ATOM 765 O TRP A 82 -13.360 -1.729 32.938 1.00 46.24 O ATOM 766 CB TRP A 82 -12.607 0.650 31.525 1.00 35.69 C ATOM 767 CG TRP A 82 -11.935 1.699 30.695 1.00 46.70 C ATOM 768 CD1 TRP A 82 -10.793 2.398 31.002 1.00 44.30 C ATOM 769 CD2 TRP A 82 -12.349 2.159 29.403 1.00 42.79 C ATOM 770 NE1 TRP A 82 -10.480 3.268 29.980 1.00 42.57 N ATOM 771 CE2 TRP A 82 -11.420 3.142 28.988 1.00 41.92 C ATOM 772 CE3 TRP A 82 -13.419 1.841 28.557 1.00 45.17 C ATOM 773 CZ2 TRP A 82 -11.525 3.802 27.761 1.00 47.36 C ATOM 774 CZ3 TRP A 82 -13.522 2.506 27.333 1.00 45.93 C ATOM 775 CH2 TRP A 82 -12.580 3.473 26.952 1.00 44.34 C ATOM 776 HE1 TRP A 82 -9.665 3.914 29.963 1.00 0.00 H ATOM 777 H TRP A 82 -11.083 -1.595 30.857 1.00 0.00 H ATOM 778 N LEU A 83 -12.072 -1.003 34.635 1.00 40.68 N ATOM 779 CA LEU A 83 -12.753 -1.811 35.636 1.00 43.19 C ATOM 780 C LEU A 83 -14.224 -1.417 35.751 1.00 55.08 C ATOM 781 O LEU A 83 -15.067 -2.250 36.073 1.00 48.85 O ATOM 782 CB LEU A 83 -12.066 -1.678 37.001 1.00 52.85 C ATOM 783 CG LEU A 83 -10.639 -2.219 37.061 1.00 58.46 C ATOM 784 CD1 LEU A 83 -10.074 -2.116 38.469 1.00 55.74 C ATOM 785 CD2 LEU A 83 -10.616 -3.656 36.572 1.00 58.68 C ATOM 786 H LEU A 83 -11.285 -0.389 34.926 1.00 0.00 H ATOM 787 N ARG A 84 -14.524 -0.152 35.475 1.00 47.94 N ATOM 788 CA ARG A 84 -15.877 0.367 35.651 1.00 54.33 C ATOM 789 C ARG A 84 -16.856 -0.433 34.799 1.00 58.81 C ATOM 790 O ARG A 84 -17.895 -0.896 35.282 1.00 56.68 O ATOM 791 CB ARG A 84 -15.923 1.849 35.290 1.00 57.61 C ATOM 792 CG ARG A 84 -17.246 2.543 35.534 1.00 67.11 C ATOM 793 CD ARG A 84 -17.162 3.983 35.049 1.00 66.71 C ATOM 794 NE ARG A 84 -18.462 4.635 35.016 1.00 67.10 N ATOM 795 CZ ARG A 84 -18.980 5.312 36.033 1.00 61.61 C ATOM 796 NH1 ARG A 84 -20.174 5.873 35.914 1.00 62.15 N ATOM 797 NH2 ARG A 84 -18.304 5.423 37.166 1.00 59.98 N ATOM 798 HE ARG A 84 -19.020 4.566 34.141 1.00 0.00 H ATOM 799 HH12 ARG A 84 -20.581 6.404 36.710 1.00 0.00 H ATOM 800 HH11 ARG A 84 -20.705 5.783 35.024 1.00 0.00 H ATOM 801 HH22 ARG A 84 -18.709 5.953 37.964 1.00 0.00 H ATOM 802 HH21 ARG A 84 -17.368 4.980 37.258 1.00 0.00 H ATOM 803 H ARG A 84 -13.778 0.483 35.126 1.00 0.00 H ATOM 804 N SER A 85 -16.503 -0.625 33.535 1.00 46.03 N ATOM 805 CA SER A 85 -17.356 -1.373 32.628 1.00 46.53 C ATOM 806 C SER A 85 -16.791 -2.760 32.327 1.00 53.04 C ATOM 807 O SER A 85 -17.315 -3.471 31.465 1.00 44.58 O ATOM 808 CB SER A 85 -17.557 -0.594 31.338 1.00 45.22 C ATOM 809 OG SER A 85 -16.323 -0.408 30.669 1.00 47.38 O ATOM 810 HG SER A 85 -16.475 0.100 29.833 1.00 0.00 H ATOM 811 H SER A 85 -15.603 -0.235 33.189 1.00 0.00 H ATOM 812 N ARG A 86 -15.723 -3.128 33.038 1.00 44.97 N ATOM 813 CA ARG A 86 -15.156 -4.475 32.986 1.00 40.69 C ATOM 814 C ARG A 86 -14.675 -4.895 31.595 1.00 41.26 C ATOM 815 O ARG A 86 -14.956 -6.008 31.146 1.00 41.91 O ATOM 816 CB ARG A 86 -16.174 -5.509 33.484 1.00 46.67 C ATOM 817 CG ARG A 86 -16.842 -5.195 34.823 1.00 54.68 C ATOM 818 CD ARG A 86 -17.363 -6.485 35.448 1.00 52.73 C ATOM 819 NE ARG A 86 -18.339 -6.257 36.507 1.00 66.11 N ATOM 820 CZ ARG A 86 -19.622 -5.995 36.285 1.00 72.98 C ATOM 821 NH1 ARG A 86 -20.450 -5.805 37.305 1.00 72.40 N ATOM 822 NH2 ARG A 86 -20.074 -5.918 35.037 1.00 76.16 N ATOM 823 HE ARG A 86 -18.012 -6.302 37.493 1.00 0.00 H ATOM 824 HH12 ARG A 86 -21.454 -5.600 37.128 1.00 0.00 H ATOM 825 HH11 ARG A 86 -20.095 -5.861 38.281 1.00 0.00 H ATOM 826 HH22 ARG A 86 -21.078 -5.713 34.859 1.00 0.00 H ATOM 827 HH21 ARG A 86 -19.424 -6.063 34.239 1.00 0.00 H ATOM 828 H ARG A 86 -15.273 -2.424 33.658 1.00 0.00 H ATOM 829 N VAL A 87 -13.948 -4.021 30.912 1.00 39.48 N ATOM 830 CA VAL A 87 -13.430 -4.394 29.603 1.00 39.39 C ATOM 831 C VAL A 87 -11.932 -4.149 29.493 1.00 36.69 C ATOM 832 O VAL A 87 -11.374 -3.307 30.191 1.00 37.52 O ATOM 833 CB VAL A 87 -14.143 -3.643 28.463 1.00 35.92 C ATOM 834 CG1 VAL A 87 -15.615 -4.047 28.384 1.00 36.37 C ATOM 835 CG2 VAL A 87 -13.990 -2.132 28.612 1.00 35.88 C ATOM 836 H VAL A 87 -13.750 -3.079 31.307 1.00 0.00 H ATOM 837 N VAL A 88 -11.296 -4.922 28.621 1.00 31.72 N ATOM 838 CA VAL A 88 -9.934 -4.658 28.172 1.00 30.32 C ATOM 839 C VAL A 88 -9.986 -4.186 26.720 1.00 33.02 C ATOM 840 O VAL A 88 -10.696 -4.778 25.895 1.00 32.57 O ATOM 841 CB VAL A 88 -9.053 -5.905 28.319 1.00 31.07 C ATOM 842 CG1 VAL A 88 -7.695 -5.705 27.648 1.00 29.42 C ATOM 843 CG2 VAL A 88 -8.900 -6.260 29.831 1.00 34.03 C ATOM 844 H VAL A 88 -11.792 -5.754 28.241 1.00 0.00 H ATOM 845 N TRP A 89 -9.255 -3.116 26.416 1.00 28.64 N ATOM 846 CA TRP A 89 -9.394 -2.436 25.123 1.00 26.11 C ATOM 847 C TRP A 89 -8.069 -2.046 24.485 1.00 26.72 C ATOM 848 O TRP A 89 -7.033 -1.990 25.144 1.00 27.83 O ATOM 849 CB TRP A 89 -10.248 -1.168 25.276 1.00 26.20 C ATOM 850 CG TRP A 89 -9.761 -0.293 26.408 1.00 28.25 C ATOM 851 CD1 TRP A 89 -10.246 -0.261 27.696 1.00 36.63 C ATOM 852 CD2 TRP A 89 -8.686 0.656 26.360 1.00 26.82 C ATOM 853 NE1 TRP A 89 -9.541 0.658 28.442 1.00 33.37 N ATOM 854 CE2 TRP A 89 -8.577 1.231 27.651 1.00 34.50 C ATOM 855 CE3 TRP A 89 -7.814 1.093 25.346 1.00 30.53 C ATOM 856 CZ2 TRP A 89 -7.622 2.208 27.958 1.00 37.01 C ATOM 857 CZ3 TRP A 89 -6.861 2.061 25.656 1.00 29.08 C ATOM 858 CH2 TRP A 89 -6.774 2.605 26.955 1.00 35.11 C ATOM 859 HE1 TRP A 89 -9.712 0.881 29.443 1.00 0.00 H ATOM 860 H TRP A 89 -8.570 -2.754 27.110 1.00 0.00 H ATOM 861 N LEU A 90 -8.135 -1.774 23.184 1.00 23.68 N ATOM 862 CA LEU A 90 -7.059 -1.165 22.400 1.00 21.09 C ATOM 863 C LEU A 90 -7.461 0.259 22.051 1.00 24.84 C ATOM 864 O LEU A 90 -8.634 0.540 21.864 1.00 23.31 O ATOM 865 CB LEU A 90 -6.814 -1.946 21.099 1.00 23.30 C ATOM 866 CG LEU A 90 -6.382 -3.407 21.156 1.00 34.24 C ATOM 867 CD1 LEU A 90 -6.251 -3.972 19.731 1.00 26.49 C ATOM 868 CD2 LEU A 90 -5.052 -3.538 21.900 1.00 31.35 C ATOM 869 H LEU A 90 -9.017 -2.012 22.687 1.00 0.00 H ATOM 870 N GLY A 91 -6.503 1.163 21.938 1.00 26.22 N ATOM 871 CA GLY A 91 -6.855 2.512 21.555 1.00 30.35 C ATOM 872 C GLY A 91 -5.665 3.287 21.060 1.00 31.14 C ATOM 873 O GLY A 91 -4.660 2.712 20.651 1.00 24.74 O ATOM 874 H GLY A 91 -5.512 0.908 22.122 1.00 0.00 H ATOM 875 N MET A 92 -5.797 4.606 21.121 1.00 30.36 N ATOM 876 CA MET A 92 -4.763 5.527 20.686 1.00 26.69 C ATOM 877 C MET A 92 -4.471 6.538 21.777 1.00 35.66 C ATOM 878 O MET A 92 -5.387 7.023 22.447 1.00 31.27 O ATOM 879 CB MET A 92 -5.202 6.256 19.423 1.00 32.49 C ATOM 880 CG MET A 92 -5.398 5.354 18.255 1.00 32.17 C ATOM 881 SD MET A 92 -6.906 5.750 17.353 1.00 45.68 S ATOM 882 CE MET A 92 -8.149 5.178 18.521 1.00 32.01 C ATOM 883 H MET A 92 -6.683 4.998 21.498 1.00 0.00 H ATOM 884 N ARG A 93 -3.199 6.855 21.970 1.00 28.22 N ATOM 885 CA ARG A 93 -2.825 7.859 22.950 1.00 28.27 C ATOM 886 C ARG A 93 -3.328 9.227 22.511 1.00 30.73 C ATOM 887 O ARG A 93 -3.848 10.006 23.312 1.00 30.65 O ATOM 888 CB ARG A 93 -1.303 7.867 23.142 1.00 24.61 C ATOM 889 CG ARG A 93 -0.777 6.617 23.840 1.00 31.98 C ATOM 890 CD ARG A 93 0.748 6.577 23.798 1.00 28.84 C ATOM 891 NE ARG A 93 1.283 5.367 24.388 1.00 27.07 N ATOM 892 CZ ARG A 93 1.399 5.175 25.698 1.00 28.73 C ATOM 893 NH1 ARG A 93 1.922 4.054 26.161 1.00 30.30 N ATOM 894 NH2 ARG A 93 0.984 6.111 26.550 1.00 30.84 N ATOM 895 HE ARG A 93 1.594 4.606 23.751 1.00 0.00 H ATOM 896 HH12 ARG A 93 2.011 3.907 27.187 1.00 0.00 H ATOM 897 HH11 ARG A 93 2.244 3.319 25.500 1.00 0.00 H ATOM 898 HH22 ARG A 93 1.076 5.959 27.575 1.00 0.00 H ATOM 899 HH21 ARG A 93 0.568 6.994 26.191 1.00 0.00 H ATOM 900 H ARG A 93 -2.460 6.379 21.413 1.00 0.00 H ATOM 901 N GLN A 94 -3.176 9.510 21.227 1.00 23.40 N ATOM 902 CA GLN A 94 -3.575 10.793 20.662 1.00 27.68 C ATOM 903 C GLN A 94 -4.397 10.536 19.400 1.00 30.53 C ATOM 904 O GLN A 94 -3.866 10.539 18.275 1.00 28.62 O ATOM 905 CB GLN A 94 -2.341 11.652 20.354 1.00 30.77 C ATOM 906 CG GLN A 94 -1.380 11.809 21.540 1.00 26.76 C ATOM 907 CD GLN A 94 -1.997 12.650 22.643 1.00 35.80 C ATOM 908 OE1 GLN A 94 -2.883 13.467 22.381 1.00 33.55 O ATOM 909 NE2 GLN A 94 -1.543 12.449 23.879 1.00 29.25 N ATOM 910 HE22 GLN A 94 -0.794 11.748 24.050 1.00 0.00 H ATOM 911 HE21 GLN A 94 -1.938 12.993 24.673 1.00 0.00 H ATOM 912 H GLN A 94 -2.758 8.793 20.600 1.00 0.00 H ATOM 913 N PRO A 95 -5.700 10.277 19.578 1.00 28.07 N ATOM 914 CA PRO A 95 -6.516 9.983 18.401 1.00 27.89 C ATOM 915 C PRO A 95 -6.460 11.112 17.357 1.00 28.41 C ATOM 916 O PRO A 95 -6.418 12.297 17.712 1.00 28.33 O ATOM 917 CB PRO A 95 -7.925 9.826 18.986 1.00 30.89 C ATOM 918 CG PRO A 95 -7.735 9.588 20.427 1.00 33.61 C ATOM 919 CD PRO A 95 -6.501 10.328 20.812 1.00 29.41 C ATOM 920 N PRO A 96 -6.450 10.756 16.064 1.00 29.86 N ATOM 921 CA PRO A 96 -6.428 11.788 15.022 1.00 28.81 C ATOM 922 C PRO A 96 -7.634 12.712 15.118 1.00 34.38 C ATOM 923 O PRO A 96 -8.725 12.258 15.467 1.00 28.01 O ATOM 924 CB PRO A 96 -6.460 10.988 13.710 1.00 31.96 C ATOM 925 CG PRO A 96 -6.878 9.621 14.080 1.00 34.59 C ATOM 926 CD PRO A 96 -6.448 9.394 15.504 1.00 27.83 C ATOM 927 N ARG A 97 -7.441 13.992 14.821 1.00 36.80 N ATOM 928 CA ARG A 97 -8.537 14.946 14.886 1.00 41.48 C ATOM 929 C ARG A 97 -9.739 14.466 14.066 1.00 32.76 C ATOM 930 O ARG A 97 -10.883 14.626 14.491 1.00 35.07 O ATOM 931 CB ARG A 97 -8.082 16.332 14.411 1.00 48.72 C ATOM 932 CG ARG A 97 -9.120 17.426 14.637 1.00 64.23 C ATOM 933 CD ARG A 97 -9.602 17.438 16.093 1.00 79.63 C ATOM 934 NE ARG A 97 -10.545 18.521 16.392 1.00 88.30 N ATOM 935 CZ ARG A 97 -11.870 18.385 16.423 1.00 83.33 C ATOM 936 NH1 ARG A 97 -12.427 17.211 16.167 1.00 76.91 N ATOM 937 NH2 ARG A 97 -12.640 19.426 16.711 1.00 87.71 N ATOM 938 HE ARG A 97 -10.151 19.462 16.594 1.00 0.00 H ATOM 939 HH12 ARG A 97 -13.462 17.110 16.192 1.00 0.00 H ATOM 940 HH11 ARG A 97 -11.830 16.390 15.941 1.00 0.00 H ATOM 941 HH22 ARG A 97 -13.674 19.317 16.735 1.00 0.00 H ATOM 942 HH21 ARG A 97 -12.210 20.351 16.913 1.00 0.00 H ATOM 943 H ARG A 97 -6.494 14.316 14.538 1.00 0.00 H ATOM 944 N GLY A 98 -9.480 13.840 12.921 1.00 30.35 N ATOM 945 CA GLY A 98 -10.559 13.438 12.030 1.00 31.42 C ATOM 946 C GLY A 98 -11.497 12.418 12.675 1.00 34.08 C ATOM 947 O GLY A 98 -12.706 12.399 12.433 1.00 25.18 O ATOM 948 H GLY A 98 -8.495 13.635 12.659 1.00 0.00 H ATOM 949 N LEU A 99 -10.941 11.559 13.509 1.00 26.44 N ATOM 950 CA LEU A 99 -11.762 10.574 14.188 1.00 25.12 C ATOM 951 C LEU A 99 -12.662 11.250 15.219 1.00 28.62 C ATOM 952 O LEU A 99 -13.854 10.960 15.295 1.00 27.36 O ATOM 953 CB LEU A 99 -10.888 9.526 14.867 1.00 25.24 C ATOM 954 CG LEU A 99 -11.574 8.512 15.779 1.00 28.92 C ATOM 955 CD1 LEU A 99 -12.501 7.605 14.998 1.00 28.08 C ATOM 956 CD2 LEU A 99 -10.524 7.704 16.495 1.00 29.10 C ATOM 957 H LEU A 99 -9.915 11.588 13.679 1.00 0.00 H ATOM 958 N ILE A 100 -12.079 12.132 16.023 1.00 27.25 N ATOM 959 CA ILE A 100 -12.850 12.849 17.043 1.00 29.31 C ATOM 960 C ILE A 100 -13.973 13.634 16.363 1.00 33.89 C ATOM 961 O ILE A 100 -15.116 13.636 16.822 1.00 28.62 O ATOM 962 CB ILE A 100 -11.977 13.816 17.877 1.00 33.68 C ATOM 963 CG1 ILE A 100 -10.826 13.058 18.528 1.00 46.01 C ATOM 964 CG2 ILE A 100 -12.813 14.481 18.975 1.00 36.10 C ATOM 965 CD1 ILE A 100 -11.288 11.866 19.326 1.00 45.52 C ATOM 966 H ILE A 100 -11.060 12.317 15.927 1.00 0.00 H ATOM 967 N GLN A 101 -13.639 14.308 15.269 1.00 29.03 N ATOM 968 CA GLN A 101 -14.617 15.151 14.592 1.00 36.83 C ATOM 969 C GLN A 101 -15.754 14.315 14.040 1.00 31.33 C ATOM 970 O GLN A 101 -16.916 14.703 14.137 1.00 26.88 O ATOM 971 CB GLN A 101 -13.984 15.960 13.450 1.00 39.39 C ATOM 972 CG GLN A 101 -15.049 16.672 12.602 1.00 48.56 C ATOM 973 CD GLN A 101 -14.485 17.582 11.513 1.00 59.20 C ATOM 974 OE1 GLN A 101 -13.704 17.154 10.662 1.00 57.32 O ATOM 975 NE2 GLN A 101 -14.895 18.846 11.535 1.00 61.54 N ATOM 976 HE22 GLN A 101 -15.556 19.166 12.272 1.00 0.00 H ATOM 977 HE21 GLN A 101 -14.555 19.515 10.815 1.00 0.00 H ATOM 978 H GLN A 101 -12.672 14.234 14.892 1.00 0.00 H ATOM 979 N LEU A 102 -15.417 13.170 13.448 1.00 27.37 N ATOM 980 CA LEU A 102 -16.430 12.280 12.886 1.00 29.85 C ATOM 981 C LEU A 102 -17.387 11.791 13.968 1.00 25.13 C ATOM 982 O LEU A 102 -18.613 11.859 13.796 1.00 25.59 O ATOM 983 CB LEU A 102 -15.790 11.076 12.190 1.00 25.46 C ATOM 984 CG LEU A 102 -16.754 10.036 11.626 1.00 25.96 C ATOM 985 CD1 LEU A 102 -17.630 10.633 10.525 1.00 24.50 C ATOM 986 CD2 LEU A 102 -15.957 8.817 11.075 1.00 27.04 C ATOM 987 H LEU A 102 -14.413 12.905 13.385 1.00 0.00 H ATOM 988 N ALA A 103 -16.828 11.301 15.071 1.00 22.78 N ATOM 989 CA ALA A 103 -17.635 10.901 16.221 1.00 23.77 C ATOM 990 C ALA A 103 -18.524 12.029 16.742 1.00 27.18 C ATOM 991 O ALA A 103 -19.718 11.819 17.016 1.00 28.71 O ATOM 992 CB ALA A 103 -16.738 10.395 17.338 1.00 25.82 C ATOM 993 H ALA A 103 -15.794 11.200 15.116 1.00 0.00 H ATOM 994 N ASN A 104 -17.946 13.214 16.935 1.00 33.41 N ATOM 995 CA ASN A 104 -18.733 14.326 17.451 1.00 35.31 C ATOM 996 C ASN A 104 -19.872 14.635 16.502 1.00 34.33 C ATOM 997 O ASN A 104 -20.985 14.933 16.933 1.00 32.85 O ATOM 998 CB ASN A 104 -17.887 15.586 17.650 1.00 39.31 C ATOM 999 CG ASN A 104 -16.933 15.470 18.806 1.00 46.69 C ATOM 1000 OD1 ASN A 104 -17.051 14.564 19.630 1.00 46.60 O ATOM 1001 ND2 ASN A 104 -15.980 16.399 18.883 1.00 47.30 N ATOM 1002 HD22 ASN A 104 -15.922 17.145 18.161 1.00 0.00 H ATOM 1003 HD21 ASN A 104 -15.295 16.377 19.665 1.00 0.00 H ATOM 1004 H ASN A 104 -16.937 13.344 16.718 1.00 0.00 H ATOM 1005 N MET A 105 -19.581 14.589 15.201 1.00 29.19 N ATOM 1006 CA MET A 105 -20.602 14.904 14.213 1.00 31.59 C ATOM 1007 C MET A 105 -21.796 13.953 14.303 1.00 34.50 C ATOM 1008 O MET A 105 -22.947 14.407 14.384 1.00 33.35 O ATOM 1009 CB MET A 105 -20.031 14.869 12.803 1.00 29.89 C ATOM 1010 CG MET A 105 -20.969 15.467 11.822 1.00 43.09 C ATOM 1011 SD MET A 105 -21.248 17.194 12.251 1.00 58.25 S ATOM 1012 CE MET A 105 -19.554 17.772 12.207 1.00 32.94 C ATOM 1013 H MET A 105 -18.623 14.328 14.892 1.00 0.00 H ATOM 1014 N LEU A 106 -21.522 12.648 14.318 1.00 25.73 N ATOM 1015 CA LEU A 106 -22.574 11.625 14.414 1.00 24.72 C ATOM 1016 C LEU A 106 -23.367 11.704 15.737 1.00 30.36 C ATOM 1017 O LEU A 106 -24.595 11.598 15.731 1.00 30.08 O ATOM 1018 CB LEU A 106 -21.982 10.224 14.252 1.00 25.39 C ATOM 1019 CG LEU A 106 -21.450 10.005 12.817 1.00 22.44 C ATOM 1020 CD1 LEU A 106 -20.536 8.769 12.741 1.00 24.02 C ATOM 1021 CD2 LEU A 106 -22.580 9.890 11.808 1.00 25.06 C ATOM 1022 H LEU A 106 -20.529 12.343 14.260 1.00 0.00 H ATOM 1023 N ARG A 107 -22.665 11.891 16.850 1.00 27.35 N ATOM 1024 CA ARG A 107 -23.306 12.036 18.152 1.00 29.74 C ATOM 1025 C ARG A 107 -24.183 13.276 18.164 1.00 36.16 C ATOM 1026 O ARG A 107 -25.284 13.283 18.711 1.00 34.71 O ATOM 1027 CB ARG A 107 -22.251 12.123 19.255 1.00 36.01 C ATOM 1028 CG ARG A 107 -21.449 10.834 19.404 1.00 38.39 C ATOM 1029 CD ARG A 107 -20.106 11.052 20.097 1.00 44.36 C ATOM 1030 NE ARG A 107 -20.181 10.850 21.537 1.00 66.48 N ATOM 1031 CZ ARG A 107 -19.953 9.679 22.121 1.00 69.23 C ATOM 1032 NH1 ARG A 107 -19.642 8.616 21.375 1.00 56.45 N ATOM 1033 NH2 ARG A 107 -20.037 9.571 23.439 1.00 70.07 N ATOM 1034 HE ARG A 107 -20.425 11.663 22.138 1.00 0.00 H ATOM 1035 HH12 ARG A 107 -19.463 7.697 21.828 1.00 0.00 H ATOM 1036 HH11 ARG A 107 -19.579 8.707 20.341 1.00 0.00 H ATOM 1037 HH22 ARG A 107 -19.859 8.655 23.898 1.00 0.00 H ATOM 1038 HH21 ARG A 107 -20.281 10.402 24.014 1.00 0.00 H ATOM 1039 H ARG A 107 -21.628 11.935 16.791 1.00 0.00 H ATOM 1040 N SER A 108 -23.682 14.343 17.561 1.00 32.41 N ATOM 1041 CA SER A 108 -24.432 15.593 17.547 1.00 35.28 C ATOM 1042 C SER A 108 -25.691 15.417 16.709 1.00 40.91 C ATOM 1043 O SER A 108 -26.764 15.899 17.072 1.00 38.36 O ATOM 1044 CB SER A 108 -23.570 16.724 17.003 1.00 41.48 C ATOM 1045 OG SER A 108 -24.352 17.887 16.799 1.00 51.36 O ATOM 1046 HG SER A 108 -24.751 18.170 17.660 1.00 0.00 H ATOM 1047 H SER A 108 -22.753 14.289 17.097 1.00 0.00 H ATOM 1048 N GLN A 109 -25.562 14.708 15.586 1.00 33.37 N ATOM 1049 CA GLN A 109 -26.711 14.442 14.725 1.00 34.21 C ATOM 1050 C GLN A 109 -27.775 13.611 15.446 1.00 35.49 C ATOM 1051 O GLN A 109 -28.975 13.882 15.320 1.00 38.20 O ATOM 1052 CB GLN A 109 -26.254 13.747 13.437 1.00 31.87 C ATOM 1053 CG GLN A 109 -25.618 14.717 12.438 1.00 36.91 C ATOM 1054 CD GLN A 109 -25.012 14.016 11.224 1.00 36.53 C ATOM 1055 OE1 GLN A 109 -24.864 12.795 11.205 1.00 30.72 O ATOM 1056 NE2 GLN A 109 -24.660 14.798 10.209 1.00 34.69 N ATOM 1057 HE22 GLN A 109 -24.804 15.826 10.270 1.00 0.00 H ATOM 1058 HE21 GLN A 109 -24.240 14.382 9.353 1.00 0.00 H ATOM 1059 H GLN A 109 -24.627 14.339 15.319 1.00 0.00 H ATOM 1060 N ALA A 110 -27.318 12.608 16.197 1.00 35.52 N ATOM 1061 CA ALA A 110 -28.197 11.758 16.987 1.00 39.07 C ATOM 1062 C ALA A 110 -28.932 12.572 18.051 1.00 42.21 C ATOM 1063 O ALA A 110 -30.168 12.566 18.111 1.00 44.04 O ATOM 1064 CB ALA A 110 -27.400 10.633 17.641 1.00 35.21 C ATOM 1065 H ALA A 110 -26.294 12.426 16.219 1.00 0.00 H ATOM 1066 N ALA A 111 -28.161 13.268 18.887 1.00 45.03 N ATOM 1067 CA ALA A 111 -28.728 14.102 19.957 1.00 51.09 C ATOM 1068 C ALA A 111 -29.796 15.046 19.432 1.00 53.10 C ATOM 1069 O ALA A 111 -30.875 15.179 20.015 1.00 56.65 O ATOM 1070 CB ALA A 111 -27.632 14.900 20.648 1.00 45.34 C ATOM 1071 H ALA A 111 -27.128 13.220 18.779 1.00 0.00 H ATOM 1072 N ARG A 112 -29.495 15.708 18.325 1.00 48.76 N ATOM 1073 CA ARG A 112 -30.418 16.668 17.758 1.00 55.39 C ATOM 1074 C ARG A 112 -31.643 15.944 17.198 1.00 66.00 C ATOM 1075 O ARG A 112 -32.690 16.558 16.980 1.00 63.98 O ATOM 1076 CB ARG A 112 -29.710 17.519 16.693 1.00 56.93 C ATOM 1077 CG ARG A 112 -28.463 18.232 17.253 1.00 54.69 C ATOM 1078 CD ARG A 112 -27.903 19.327 16.345 1.00 60.34 C ATOM 1079 NE ARG A 112 -27.200 18.785 15.181 1.00 59.88 N ATOM 1080 CZ ARG A 112 -27.762 18.605 13.987 1.00 61.42 C ATOM 1081 NH1 ARG A 112 -29.034 18.934 13.792 1.00 64.20 N ATOM 1082 NH2 ARG A 112 -27.056 18.104 12.987 1.00 51.26 N ATOM 1083 HE ARG A 112 -26.200 18.524 15.293 1.00 0.00 H ATOM 1084 HH12 ARG A 112 -29.471 18.792 12.859 1.00 0.00 H ATOM 1085 HH11 ARG A 112 -29.593 19.333 14.573 1.00 0.00 H ATOM 1086 HH22 ARG A 112 -27.499 17.965 12.056 1.00 0.00 H ATOM 1087 HH21 ARG A 112 -26.058 17.849 13.131 1.00 0.00 H ATOM 1088 H ARG A 112 -28.583 15.536 17.857 1.00 0.00 H ATOM 1089 N SER A 113 -31.521 14.630 17.010 1.00 67.52 N ATOM 1090 CA SER A 113 -32.640 13.819 16.524 1.00 69.10 C ATOM 1091 C SER A 113 -33.391 13.071 17.636 1.00 69.78 C ATOM 1092 O SER A 113 -34.221 12.204 17.353 1.00 69.73 O ATOM 1093 CB SER A 113 -32.150 12.813 15.484 1.00 60.72 C ATOM 1094 OG SER A 113 -31.744 13.462 14.293 1.00 65.43 O ATOM 1095 HG SER A 113 -31.007 14.091 14.496 1.00 0.00 H ATOM 1096 H SER A 113 -30.611 14.170 17.213 1.00 0.00 H ATOM 1097 N GLY A 114 -33.095 13.397 18.891 1.00 89.66 N ATOM 1098 CA GLY A 114 -33.796 12.802 20.017 1.00 90.92 C ATOM 1099 C GLY A 114 -33.081 11.633 20.672 1.00 86.04 C ATOM 1100 O GLY A 114 -33.489 11.173 21.732 1.00 94.28 O ATOM 1101 H GLY A 114 -32.344 14.094 19.071 1.00 0.00 H ATOM 1102 N CYS A 115 -32.017 11.152 20.041 1.00 77.60 N ATOM 1103 CA CYS A 115 -31.247 10.019 20.562 1.00 82.01 C ATOM 1104 C CYS A 115 -30.286 10.426 21.677 1.00 86.88 C ATOM 1105 O CYS A 115 -29.244 11.032 21.410 1.00 87.54 O ATOM 1106 CB CYS A 115 -30.450 9.348 19.434 1.00 71.79 C ATOM 1107 SG CYS A 115 -31.437 8.470 18.212 1.00 81.08 S ATOM 1108 H CYS A 115 -31.720 11.594 19.148 1.00 0.00 H ATOM 1109 N PHE A 116 -30.623 10.069 22.916 1.00 90.01 N ATOM 1110 CA PHE A 116 -29.792 10.403 24.074 1.00 92.05 C ATOM 1111 C PHE A 116 -28.324 10.021 23.900 1.00 86.28 C ATOM 1112 O PHE A 116 -28.005 8.880 23.558 1.00 75.41 O ATOM 1113 CB PHE A 116 -30.327 9.727 25.336 1.00 95.68 C ATOM 1114 CG PHE A 116 -29.415 9.867 26.524 1.00100.85 C ATOM 1115 CD1 PHE A 116 -29.557 10.929 27.399 1.00108.32 C ATOM 1116 CD2 PHE A 116 -28.409 8.942 26.761 1.00 96.32 C ATOM 1117 CE1 PHE A 116 -28.718 11.065 28.487 1.00112.62 C ATOM 1118 CE2 PHE A 116 -27.566 9.076 27.846 1.00100.65 C ATOM 1119 CZ PHE A 116 -27.723 10.138 28.711 1.00108.72 C ATOM 1120 H PHE A 116 -31.504 9.537 23.065 1.00 0.00 H ATOM 1121 N GLN A 117 -27.437 10.979 24.161 1.00 90.11 N ATOM 1122 CA GLN A 117 -25.997 10.748 24.087 1.00 82.63 C ATOM 1123 C GLN A 117 -25.335 11.018 25.437 1.00 86.25 C ATOM 1124 O GLN A 117 -25.564 12.059 26.056 1.00 88.22 O ATOM 1125 CB GLN A 117 -25.358 11.627 23.005 1.00 72.22 C ATOM 1126 CG GLN A 117 -25.917 11.418 21.602 1.00 65.60 C ATOM 1127 CD GLN A 117 -25.643 10.025 21.062 1.00 60.86 C ATOM 1128 OE1 GLN A 117 -24.491 9.623 20.912 1.00 56.34 O ATOM 1129 NE2 GLN A 117 -26.705 9.278 20.779 1.00 61.16 N ATOM 1130 HE22 GLN A 117 -27.662 9.659 20.922 1.00 0.00 H ATOM 1131 HE21 GLN A 117 -26.579 8.312 20.415 1.00 0.00 H ATOM 1132 H GLN A 117 -27.781 11.924 24.427 1.00 0.00 H ATOM 1133 N SER A 118 -24.512 10.073 25.882 1.00 83.92 N ATOM 1134 CA SER A 118 -23.779 10.208 27.137 1.00 98.13 C ATOM 1135 C SER A 118 -22.884 11.444 27.141 1.00 98.33 C ATOM 1136 O SER A 118 -22.157 11.692 26.180 1.00 93.11 O ATOM 1137 CB SER A 118 -22.933 8.959 27.392 1.00 97.14 C ATOM 1138 OG SER A 118 -22.093 9.138 28.517 1.00103.61 O ATOM 1139 HG SER A 118 -21.557 8.318 28.661 1.00 0.00 H ATOM 1140 H SER A 118 -24.386 9.209 25.317 1.00 0.00 H ATOM 1141 N ASN A 119 -22.933 12.215 28.224 1.00104.05 N ATOM 1142 CA ASN A 119 -22.091 13.402 28.344 1.00102.53 C ATOM 1143 C ASN A 119 -20.618 13.043 28.558 1.00 99.26 C ATOM 1144 O ASN A 119 -19.749 13.917 28.561 1.00 97.22 O ATOM 1145 CB ASN A 119 -22.583 14.301 29.482 1.00107.37 C ATOM 1146 CG ASN A 119 -22.469 13.640 30.842 1.00114.81 C ATOM 1147 OD1 ASN A 119 -22.512 12.416 30.959 1.00112.82 O ATOM 1148 ND2 ASN A 119 -22.328 14.453 31.884 1.00126.17 N ATOM 1149 HD22 ASN A 119 -22.296 15.482 31.740 1.00 0.00 H ATOM 1150 HD21 ASN A 119 -22.249 14.060 32.844 1.00 0.00 H ATOM 1151 H ASN A 119 -23.582 11.968 28.998 1.00 0.00 H ATOM 1152 N ARG A 120 -20.344 11.752 28.732 1.00 95.06 N ATOM 1153 CA ARG A 120 -18.974 11.274 28.893 1.00 86.55 C ATOM 1154 C ARG A 120 -18.169 11.508 27.626 1.00 78.58 C ATOM 1155 O ARG A 120 -18.581 11.082 26.548 1.00 71.55 O ATOM 1156 CB ARG A 120 -18.945 9.785 29.246 1.00 92.17 C ATOM 1157 CG ARG A 120 -17.581 9.133 29.016 1.00 93.71 C ATOM 1158 CD ARG A 120 -17.538 7.693 29.519 1.00 97.38 C ATOM 1159 NE ARG A 120 -17.786 7.592 30.958 1.00100.97 N ATOM 1160 CZ ARG A 120 -16.835 7.625 31.888 1.00104.92 C ATOM 1161 NH1 ARG A 120 -15.564 7.761 31.540 1.00107.93 N ATOM 1162 NH2 ARG A 120 -17.153 7.521 33.170 1.00109.37 N ATOM 1163 HE ARG A 120 -18.771 7.487 31.275 1.00 0.00 H ATOM 1164 HH12 ARG A 120 -14.825 7.786 32.271 1.00 0.00 H ATOM 1165 HH11 ARG A 120 -15.306 7.843 30.536 1.00 0.00 H ATOM 1166 HH22 ARG A 120 -16.407 7.547 33.895 1.00 0.00 H ATOM 1167 HH21 ARG A 120 -18.148 7.413 33.452 1.00 0.00 H ATOM 1168 H ARG A 120 -21.126 11.066 28.754 1.00 0.00 H ATOM 1169 N PRO A 121 -17.019 12.191 27.764 1.00 78.07 N ATOM 1170 CA PRO A 121 -16.099 12.496 26.663 1.00 76.36 C ATOM 1171 C PRO A 121 -15.824 11.253 25.824 1.00 68.78 C ATOM 1172 O PRO A 121 -15.542 10.192 26.380 1.00 74.52 O ATOM 1173 CB PRO A 121 -14.834 12.978 27.385 1.00 76.44 C ATOM 1174 CG PRO A 121 -15.338 13.537 28.685 1.00 85.14 C ATOM 1175 CD PRO A 121 -16.520 12.686 29.063 1.00 84.97 C ATOM 1176 N PHE A 122 -15.948 11.377 24.508 1.00 64.60 N ATOM 1177 CA PHE A 122 -15.678 10.268 23.593 1.00 50.13 C ATOM 1178 C PHE A 122 -14.296 9.690 23.879 1.00 54.88 C ATOM 1179 O PHE A 122 -13.315 10.429 23.929 1.00 49.46 O ATOM 1180 CB PHE A 122 -15.800 10.762 22.148 1.00 43.97 C ATOM 1181 CG PHE A 122 -15.494 9.727 21.111 1.00 40.62 C ATOM 1182 CD1 PHE A 122 -16.154 8.511 21.108 1.00 37.03 C ATOM 1183 CD2 PHE A 122 -14.570 9.991 20.107 1.00 35.35 C ATOM 1184 CE1 PHE A 122 -15.882 7.551 20.137 1.00 42.68 C ATOM 1185 CE2 PHE A 122 -14.291 9.044 19.138 1.00 29.62 C ATOM 1186 CZ PHE A 122 -14.945 7.820 19.150 1.00 36.48 C ATOM 1187 H PHE A 122 -16.247 12.292 24.115 1.00 0.00 H ATOM 1188 N HIS A 123 -14.232 8.382 24.126 1.00 52.20 N ATOM 1189 CA HIS A 123 -12.958 7.695 24.360 1.00 49.04 C ATOM 1190 C HIS A 123 -12.815 6.566 23.346 1.00 43.48 C ATOM 1191 O HIS A 123 -13.188 5.437 23.626 1.00 44.72 O ATOM 1192 CB HIS A 123 -12.862 7.117 25.780 1.00 55.94 C ATOM 1193 CG HIS A 123 -13.127 8.109 26.872 1.00 80.77 C ATOM 1194 ND1 HIS A 123 -12.393 9.266 27.025 1.00 80.27 N ATOM 1195 CD2 HIS A 123 -14.031 8.102 27.883 1.00 81.51 C ATOM 1196 CE1 HIS A 123 -12.844 9.937 28.072 1.00 83.86 C ATOM 1197 NE2 HIS A 123 -13.839 9.253 28.609 1.00 81.74 N ATOM 1198 H HIS A 123 -15.114 7.831 24.154 1.00 0.00 H ATOM 1199 N PRO A 124 -12.298 6.874 22.155 1.00 41.58 N ATOM 1200 CA PRO A 124 -12.320 5.820 21.134 1.00 32.98 C ATOM 1201 C PRO A 124 -11.515 4.603 21.557 1.00 34.54 C ATOM 1202 O PRO A 124 -10.411 4.714 22.078 1.00 37.00 O ATOM 1203 CB PRO A 124 -11.718 6.493 19.897 1.00 28.34 C ATOM 1204 CG PRO A 124 -11.009 7.724 20.399 1.00 30.41 C ATOM 1205 CD PRO A 124 -11.736 8.143 21.663 1.00 36.13 C ATOM 1206 N HIS A 125 -12.101 3.433 21.356 1.00 24.69 N ATOM 1207 CA HIS A 125 -11.479 2.207 21.806 1.00 28.28 C ATOM 1208 C HIS A 125 -12.046 1.025 21.045 1.00 26.39 C ATOM 1209 O HIS A 125 -13.127 1.113 20.469 1.00 24.75 O ATOM 1210 CB HIS A 125 -11.701 2.022 23.309 1.00 26.63 C ATOM 1211 CG HIS A 125 -13.130 1.755 23.682 1.00 28.17 C ATOM 1212 ND1 HIS A 125 -14.064 2.755 23.808 1.00 30.68 N ATOM 1213 CD2 HIS A 125 -13.781 0.598 23.955 1.00 28.49 C ATOM 1214 CE1 HIS A 125 -15.230 2.233 24.162 1.00 39.81 C ATOM 1215 NE2 HIS A 125 -15.087 0.922 24.245 1.00 28.38 N ATOM 1216 H HIS A 125 -13.019 3.395 20.869 1.00 0.00 H ATOM 1217 N ILE A 126 -11.299 -0.075 21.056 1.00 20.50 N ATOM 1218 CA ILE A 126 -11.766 -1.339 20.517 1.00 18.91 C ATOM 1219 C ILE A 126 -11.732 -2.333 21.667 1.00 21.87 C ATOM 1220 O ILE A 126 -10.652 -2.669 22.150 1.00 25.17 O ATOM 1221 CB ILE A 126 -10.841 -1.833 19.373 1.00 23.21 C ATOM 1222 CG1 ILE A 126 -10.915 -0.842 18.207 1.00 22.30 C ATOM 1223 CG2 ILE A 126 -11.218 -3.261 18.936 1.00 21.39 C ATOM 1224 CD1 ILE A 126 -9.634 -0.801 17.386 1.00 31.25 C ATOM 1225 H ILE A 126 -10.344 -0.028 21.466 1.00 0.00 H ATOM 1226 N THR A 127 -12.895 -2.760 22.129 1.00 24.05 N ATOM 1227 CA THR A 127 -12.961 -3.710 23.228 1.00 27.35 C ATOM 1228 C THR A 127 -12.499 -5.080 22.756 1.00 27.48 C ATOM 1229 O THR A 127 -12.941 -5.545 21.702 1.00 27.75 O ATOM 1230 CB THR A 127 -14.374 -3.797 23.762 1.00 29.87 C ATOM 1231 OG1 THR A 127 -14.748 -2.514 24.276 1.00 36.80 O ATOM 1232 CG2 THR A 127 -14.485 -4.868 24.859 1.00 35.03 C ATOM 1233 HG1 THR A 127 -15.672 -2.558 24.629 1.00 0.00 H ATOM 1234 H THR A 127 -13.776 -2.411 21.700 1.00 0.00 H ATOM 1235 N LEU A 128 -11.631 -5.720 23.538 1.00 29.18 N ATOM 1236 CA LEU A 128 -11.096 -7.044 23.227 1.00 29.89 C ATOM 1237 C LEU A 128 -11.646 -8.121 24.137 1.00 33.30 C ATOM 1238 O LEU A 128 -11.852 -9.252 23.713 1.00 36.25 O ATOM 1239 CB LEU A 128 -9.580 -7.074 23.378 1.00 37.05 C ATOM 1240 CG LEU A 128 -8.766 -6.029 22.648 1.00 44.57 C ATOM 1241 CD1 LEU A 128 -7.343 -6.166 23.110 1.00 50.86 C ATOM 1242 CD2 LEU A 128 -8.898 -6.256 21.146 1.00 44.48 C ATOM 1243 H LEU A 128 -11.318 -5.254 24.414 1.00 0.00 H ATOM 1244 N LEU A 129 -11.807 -7.764 25.406 1.00 35.38 N ATOM 1245 CA LEU A 129 -12.369 -8.663 26.420 1.00 38.80 C ATOM 1246 C LEU A 129 -13.531 -7.998 27.153 1.00 42.86 C ATOM 1247 O LEU A 129 -13.470 -6.807 27.472 1.00 39.80 O ATOM 1248 CB LEU A 129 -11.304 -9.075 27.435 1.00 43.54 C ATOM 1249 CG LEU A 129 -10.107 -9.865 26.916 1.00 45.38 C ATOM 1250 CD1 LEU A 129 -9.143 -10.144 28.065 1.00 42.57 C ATOM 1251 CD2 LEU A 129 -10.565 -11.164 26.275 1.00 47.56 C ATOM 1252 H LEU A 129 -11.522 -6.806 25.693 1.00 0.00 H ATOM 1253 N ARG A 130 -14.581 -8.774 27.419 1.00 42.69 N ATOM 1254 CA ARG A 130 -15.683 -8.324 28.264 1.00 45.08 C ATOM 1255 C ARG A 130 -15.718 -9.144 29.531 1.00 50.55 C ATOM 1256 O ARG A 130 -15.098 -10.211 29.610 1.00 53.18 O ATOM 1257 CB ARG A 130 -17.031 -8.437 27.551 1.00 45.39 C ATOM 1258 CG ARG A 130 -17.162 -7.560 26.326 1.00 52.17 C ATOM 1259 CD ARG A 130 -18.543 -7.670 25.683 1.00 55.82 C ATOM 1260 NE ARG A 130 -18.505 -7.059 24.359 1.00 64.09 N ATOM 1261 CZ ARG A 130 -18.706 -5.765 24.129 1.00 73.20 C ATOM 1262 NH1 ARG A 130 -18.989 -4.949 25.139 1.00 74.72 N ATOM 1263 NH2 ARG A 130 -18.629 -5.286 22.889 1.00 71.42 N ATOM 1264 HE ARG A 130 -18.308 -7.674 23.544 1.00 0.00 H ATOM 1265 HH12 ARG A 130 -19.147 -3.937 24.961 1.00 0.00 H ATOM 1266 HH11 ARG A 130 -19.053 -5.323 26.107 1.00 0.00 H ATOM 1267 HH22 ARG A 130 -18.787 -4.273 22.712 1.00 0.00 H ATOM 1268 HH21 ARG A 130 -18.411 -5.924 22.097 1.00 0.00 H ATOM 1269 H ARG A 130 -14.617 -9.730 27.012 1.00 0.00 H ATOM 1270 N ASP A 131 -16.456 -8.642 30.518 1.00 51.07 N ATOM 1271 CA ASP A 131 -16.564 -9.301 31.813 1.00 54.60 C ATOM 1272 C ASP A 131 -15.174 -9.536 32.392 1.00 58.45 C ATOM 1273 O ASP A 131 -14.912 -10.542 33.043 1.00 56.63 O ATOM 1274 CB ASP A 131 -17.347 -10.604 31.673 1.00 63.88 C ATOM 1275 CG ASP A 131 -18.776 -10.367 31.202 1.00 75.58 C ATOM 1276 OD1 ASP A 131 -19.491 -9.577 31.855 1.00 78.67 O ATOM 1277 OD2 ASP A 131 -19.177 -10.947 30.169 1.00 80.11 O ATOM 1278 H ASP A 131 -16.971 -7.752 30.360 1.00 0.00 H ATOM 1279 N ALA A 132 -14.278 -8.599 32.105 1.00 56.25 N ATOM 1280 CA ALA A 132 -12.954 -8.587 32.703 1.00 58.19 C ATOM 1281 C ALA A 132 -13.035 -7.857 34.040 1.00 63.70 C ATOM 1282 O ALA A 132 -12.516 -6.753 34.196 1.00 66.52 O ATOM 1283 CB ALA A 132 -11.946 -7.919 31.767 1.00 49.44 C ATOM 1284 H ALA A 132 -14.532 -7.849 31.430 1.00 0.00 H ATOM 1285 N SER A 133 -13.700 -8.485 35.003 1.00 63.80 N ATOM 1286 CA SER A 133 -14.027 -7.835 36.268 1.00 67.63 C ATOM 1287 C SER A 133 -12.824 -7.706 37.196 1.00 71.03 C ATOM 1288 O SER A 133 -12.874 -6.991 38.194 1.00 75.90 O ATOM 1289 CB SER A 133 -15.143 -8.604 36.976 1.00 65.22 C ATOM 1290 OG SER A 133 -14.776 -9.956 37.187 1.00 66.05 O ATOM 1291 HG SER A 133 -15.515 -10.429 37.646 1.00 0.00 H ATOM 1292 H SER A 133 -13.997 -9.470 34.851 1.00 0.00 H ATOM 1293 N GLU A 134 -11.747 -8.409 36.870 1.00 68.39 N ATOM 1294 CA GLU A 134 -10.558 -8.390 37.705 1.00 67.93 C ATOM 1295 C GLU A 134 -9.402 -7.724 36.973 1.00 62.24 C ATOM 1296 O GLU A 134 -9.224 -7.910 35.762 1.00 59.18 O ATOM 1297 CB GLU A 134 -10.182 -9.812 38.132 1.00 70.44 C ATOM 1298 CG GLU A 134 -11.357 -10.632 38.655 1.00 82.85 C ATOM 1299 CD GLU A 134 -12.019 -10.003 39.870 1.00 95.73 C ATOM 1300 OE1 GLU A 134 -11.388 -9.127 40.500 1.00101.56 O ATOM 1301 OE2 GLU A 134 -13.169 -10.382 40.194 1.00 94.62 O ATOM 1302 H GLU A 134 -11.754 -8.983 36.003 1.00 0.00 H ATOM 1303 N ALA A 135 -8.636 -6.927 37.710 1.00 54.86 N ATOM 1304 CA ALA A 135 -7.469 -6.256 37.154 1.00 55.42 C ATOM 1305 C ALA A 135 -6.497 -7.283 36.585 1.00 53.21 C ATOM 1306 O ALA A 135 -6.265 -8.319 37.201 1.00 53.14 O ATOM 1307 CB ALA A 135 -6.791 -5.403 38.222 1.00 55.01 C ATOM 1308 H ALA A 135 -8.876 -6.778 38.711 1.00 0.00 H ATOM 1309 N VAL A 136 -5.951 -7.010 35.402 1.00 55.75 N ATOM 1310 CA VAL A 136 -4.973 -7.909 34.786 1.00 58.02 C ATOM 1311 C VAL A 136 -3.848 -7.114 34.140 1.00 53.30 C ATOM 1312 O VAL A 136 -4.031 -5.952 33.774 1.00 56.51 O ATOM 1313 CB VAL A 136 -5.602 -8.833 33.702 1.00 50.90 C ATOM 1314 CG1 VAL A 136 -6.699 -9.716 34.301 1.00 60.33 C ATOM 1315 CG2 VAL A 136 -6.120 -8.017 32.523 1.00 49.24 C ATOM 1316 H VAL A 136 -6.225 -6.139 34.904 1.00 0.00 H ATOM 1317 N THR A 137 -2.690 -7.746 33.994 1.00 51.59 N ATOM 1318 CA THR A 137 -1.549 -7.096 33.354 1.00 46.88 C ATOM 1319 C THR A 137 -1.869 -6.826 31.902 1.00 48.46 C ATOM 1320 O THR A 137 -2.355 -7.713 31.200 1.00 46.21 O ATOM 1321 CB THR A 137 -0.269 -7.942 33.439 1.00 50.12 C ATOM 1322 OG1 THR A 137 -0.013 -8.294 34.807 1.00 59.92 O ATOM 1323 CG2 THR A 137 0.898 -7.146 32.902 1.00 45.35 C ATOM 1324 HG1 THR A 137 0.812 -8.839 34.858 1.00 0.00 H ATOM 1325 H THR A 137 -2.593 -8.721 34.341 1.00 0.00 H ATOM 1326 N ILE A 138 -1.602 -5.598 31.459 1.00 50.17 N ATOM 1327 CA ILE A 138 -1.868 -5.189 30.086 1.00 39.15 C ATOM 1328 C ILE A 138 -0.585 -4.898 29.325 1.00 36.74 C ATOM 1329 O ILE A 138 0.080 -3.899 29.589 1.00 40.24 O ATOM 1330 CB ILE A 138 -2.732 -3.923 30.021 1.00 39.81 C ATOM 1331 CG1 ILE A 138 -3.944 -4.032 30.948 1.00 44.69 C ATOM 1332 CG2 ILE A 138 -3.180 -3.672 28.601 1.00 37.17 C ATOM 1333 CD1 ILE A 138 -4.914 -5.079 30.522 1.00 40.88 C ATOM 1334 H ILE A 138 -1.189 -4.907 32.117 1.00 0.00 H ATOM 1335 N PRO A 139 -0.239 -5.752 28.358 1.00 39.27 N ATOM 1336 CA PRO A 139 0.960 -5.447 27.575 1.00 32.81 C ATOM 1337 C PRO A 139 0.683 -4.345 26.568 1.00 30.25 C ATOM 1338 O PRO A 139 -0.475 -4.092 26.260 1.00 31.87 O ATOM 1339 CB PRO A 139 1.268 -6.772 26.848 1.00 46.85 C ATOM 1340 CG PRO A 139 0.110 -7.712 27.163 1.00 50.18 C ATOM 1341 CD PRO A 139 -0.987 -6.882 27.787 1.00 47.56 C ATOM 1342 N PRO A 140 1.738 -3.721 26.022 1.00 31.02 N ATOM 1343 CA PRO A 140 1.509 -2.817 24.894 1.00 27.04 C ATOM 1344 C PRO A 140 0.979 -3.591 23.688 1.00 29.76 C ATOM 1345 O PRO A 140 1.185 -4.804 23.600 1.00 29.56 O ATOM 1346 CB PRO A 140 2.900 -2.254 24.599 1.00 29.69 C ATOM 1347 CG PRO A 140 3.843 -3.313 25.102 1.00 30.46 C ATOM 1348 CD PRO A 140 3.168 -3.943 26.292 1.00 35.14 C ATOM 1349 N PRO A 141 0.292 -2.899 22.774 1.00 29.34 N ATOM 1350 CA PRO A 141 -0.200 -3.552 21.555 1.00 27.84 C ATOM 1351 C PRO A 141 0.963 -4.036 20.676 1.00 25.28 C ATOM 1352 O PRO A 141 2.132 -3.745 20.956 1.00 25.07 O ATOM 1353 CB PRO A 141 -1.001 -2.453 20.857 1.00 28.80 C ATOM 1354 CG PRO A 141 -0.517 -1.155 21.457 1.00 33.77 C ATOM 1355 CD PRO A 141 -0.086 -1.478 22.852 1.00 29.85 C ATOM 1356 N GLY A 142 0.637 -4.793 19.637 1.00 22.64 N ATOM 1357 CA GLY A 142 1.653 -5.288 18.729 1.00 22.67 C ATOM 1358 C GLY A 142 2.189 -4.160 17.879 1.00 24.40 C ATOM 1359 O GLY A 142 1.688 -3.036 17.937 1.00 22.90 O ATOM 1360 H GLY A 142 -0.361 -5.035 19.471 1.00 0.00 H ATOM 1361 N PHE A 143 3.217 -4.463 17.094 1.00 21.96 N ATOM 1362 CA PHE A 143 3.901 -3.451 16.277 1.00 24.24 C ATOM 1363 C PHE A 143 3.128 -3.135 14.994 1.00 21.34 C ATOM 1364 O PHE A 143 2.678 -4.041 14.295 1.00 23.43 O ATOM 1365 CB PHE A 143 5.337 -3.925 15.931 1.00 23.54 C ATOM 1366 CG PHE A 143 5.960 -3.170 14.764 1.00 21.15 C ATOM 1367 CD1 PHE A 143 6.145 -1.797 14.837 1.00 26.48 C ATOM 1368 CD2 PHE A 143 6.319 -3.833 13.595 1.00 26.49 C ATOM 1369 CE1 PHE A 143 6.683 -1.092 13.764 1.00 28.64 C ATOM 1370 CE2 PHE A 143 6.880 -3.120 12.509 1.00 20.10 C ATOM 1371 CZ PHE A 143 7.052 -1.754 12.614 1.00 22.65 C ATOM 1372 H PHE A 143 3.548 -5.448 17.056 1.00 0.00 H ATOM 1373 N ASN A 144 2.993 -1.847 14.693 1.00 18.16 N ATOM 1374 CA ASN A 144 2.554 -1.399 13.377 1.00 18.99 C ATOM 1375 C ASN A 144 1.086 -1.703 13.082 1.00 25.18 C ATOM 1376 O ASN A 144 0.713 -1.953 11.931 1.00 22.39 O ATOM 1377 CB ASN A 144 3.446 -2.023 12.264 1.00 19.61 C ATOM 1378 CG ASN A 144 3.735 -1.029 11.141 1.00 22.16 C ATOM 1379 OD1 ASN A 144 3.670 0.185 11.351 1.00 23.07 O ATOM 1380 ND2 ASN A 144 4.048 -1.534 9.944 1.00 26.40 N ATOM 1381 HD22 ASN A 144 4.092 -2.564 9.810 1.00 0.00 H ATOM 1382 HD21 ASN A 144 4.248 -0.897 9.147 1.00 0.00 H ATOM 1383 H ASN A 144 3.208 -1.136 15.421 1.00 0.00 H ATOM 1384 N TRP A 145 0.242 -1.652 14.115 1.00 17.97 N ATOM 1385 CA TRP A 145 -1.183 -1.827 13.898 1.00 16.34 C ATOM 1386 C TRP A 145 -1.773 -0.510 13.409 1.00 20.92 C ATOM 1387 O TRP A 145 -2.394 0.231 14.164 1.00 20.24 O ATOM 1388 CB TRP A 145 -1.867 -2.300 15.186 1.00 17.48 C ATOM 1389 CG TRP A 145 -1.457 -3.700 15.587 1.00 18.17 C ATOM 1390 CD1 TRP A 145 -0.638 -4.569 14.908 1.00 24.05 C ATOM 1391 CD2 TRP A 145 -1.878 -4.383 16.777 1.00 20.64 C ATOM 1392 NE1 TRP A 145 -0.535 -5.763 15.616 1.00 20.75 N ATOM 1393 CE2 TRP A 145 -1.288 -5.661 16.766 1.00 20.37 C ATOM 1394 CE3 TRP A 145 -2.694 -4.016 17.861 1.00 22.02 C ATOM 1395 CZ2 TRP A 145 -1.499 -6.589 17.805 1.00 21.90 C ATOM 1396 CZ3 TRP A 145 -2.908 -4.936 18.885 1.00 21.14 C ATOM 1397 CH2 TRP A 145 -2.307 -6.199 18.852 1.00 23.19 C ATOM 1398 HE1 TRP A 145 0.018 -6.594 15.325 1.00 0.00 H ATOM 1399 H TRP A 145 0.605 -1.487 15.075 1.00 0.00 H ATOM 1400 N SER A 146 -1.551 -0.214 12.126 1.00 19.87 N ATOM 1401 CA SER A 146 -1.807 1.120 11.597 1.00 19.61 C ATOM 1402 C SER A 146 -2.479 0.953 10.256 1.00 20.94 C ATOM 1403 O SER A 146 -2.044 0.117 9.462 1.00 18.99 O ATOM 1404 CB SER A 146 -0.505 1.914 11.436 1.00 21.22 C ATOM 1405 OG SER A 146 -0.759 3.219 10.888 1.00 22.08 O ATOM 1406 HG SER A 146 -1.185 3.125 9.999 1.00 0.00 H ATOM 1407 H SER A 146 -1.187 -0.952 11.490 1.00 0.00 H ATOM 1408 N TYR A 147 -3.525 1.732 9.991 1.00 20.19 N ATOM 1409 CA TYR A 147 -4.205 1.594 8.708 1.00 21.07 C ATOM 1410 C TYR A 147 -5.032 2.807 8.352 1.00 24.95 C ATOM 1411 O TYR A 147 -5.389 3.618 9.211 1.00 19.47 O ATOM 1412 CB TYR A 147 -5.100 0.345 8.707 1.00 18.73 C ATOM 1413 CG TYR A 147 -6.283 0.421 9.641 1.00 23.01 C ATOM 1414 CD1 TYR A 147 -7.544 0.776 9.170 1.00 23.01 C ATOM 1415 CD2 TYR A 147 -6.143 0.137 10.985 1.00 22.04 C ATOM 1416 CE1 TYR A 147 -8.627 0.836 10.009 1.00 22.52 C ATOM 1417 CE2 TYR A 147 -7.240 0.186 11.848 1.00 22.74 C ATOM 1418 CZ TYR A 147 -8.474 0.547 11.347 1.00 23.12 C ATOM 1419 OH TYR A 147 -9.577 0.608 12.174 1.00 25.58 O ATOM 1420 HH TYR A 147 -10.369 0.882 11.647 1.00 0.00 H ATOM 1421 H TYR A 147 -3.853 2.430 10.689 1.00 0.00 H ATOM 1422 N ALA A 148 -5.354 2.931 7.069 1.00 18.78 N ATOM 1423 CA ALA A 148 -6.173 4.054 6.649 1.00 15.79 C ATOM 1424 C ALA A 148 -7.646 3.729 6.772 1.00 20.26 C ATOM 1425 O ALA A 148 -8.100 2.688 6.309 1.00 21.90 O ATOM 1426 CB ALA A 148 -5.828 4.461 5.184 1.00 23.55 C ATOM 1427 H ALA A 148 -5.023 2.232 6.374 1.00 0.00 H ATOM 1428 N VAL A 149 -8.383 4.648 7.384 1.00 18.90 N ATOM 1429 CA VAL A 149 -9.826 4.558 7.517 1.00 17.14 C ATOM 1430 C VAL A 149 -10.470 5.249 6.315 1.00 22.09 C ATOM 1431 O VAL A 149 -10.211 6.423 6.086 1.00 20.42 O ATOM 1432 CB VAL A 149 -10.310 5.220 8.803 1.00 19.53 C ATOM 1433 CG1 VAL A 149 -11.873 5.141 8.885 1.00 17.91 C ATOM 1434 CG2 VAL A 149 -9.672 4.518 9.996 1.00 21.93 C ATOM 1435 H VAL A 149 -7.902 5.476 7.789 1.00 0.00 H ATOM 1436 N THR A 150 -11.254 4.502 5.542 1.00 19.61 N ATOM 1437 CA THR A 150 -11.802 5.007 4.289 1.00 22.54 C ATOM 1438 C THR A 150 -13.302 5.211 4.323 1.00 22.06 C ATOM 1439 O THR A 150 -13.870 5.772 3.392 1.00 21.66 O ATOM 1440 CB THR A 150 -11.540 4.031 3.118 1.00 23.67 C ATOM 1441 OG1 THR A 150 -12.274 2.820 3.366 1.00 23.70 O ATOM 1442 CG2 THR A 150 -10.027 3.741 2.930 1.00 25.74 C ATOM 1443 HG1 THR A 150 -12.117 2.183 2.625 1.00 0.00 H ATOM 1444 H THR A 150 -11.482 3.532 5.840 1.00 0.00 H ATOM 1445 N GLU A 151 -13.954 4.724 5.382 1.00 19.40 N ATOM 1446 CA GLU A 151 -15.415 4.653 5.467 1.00 21.47 C ATOM 1447 C GLU A 151 -15.854 4.545 6.919 1.00 17.05 C ATOM 1448 O GLU A 151 -15.043 4.227 7.784 1.00 20.18 O ATOM 1449 CB GLU A 151 -16.012 3.409 4.769 1.00 24.88 C ATOM 1450 CG GLU A 151 -15.441 2.940 3.519 1.00 38.15 C ATOM 1451 CD GLU A 151 -16.113 1.630 3.081 1.00 37.32 C ATOM 1452 OE1 GLU A 151 -16.657 1.635 1.964 1.00 32.34 O ATOM 1453 OE2 GLU A 151 -16.123 0.624 3.849 1.00 25.43 O ATOM 1454 H GLU A 151 -13.396 4.377 6.188 1.00 0.00 H ATOM 1455 N PHE A 152 -17.139 4.792 7.157 1.00 21.33 N ATOM 1456 CA PHE A 152 -17.763 4.383 8.423 1.00 21.92 C ATOM 1457 C PHE A 152 -19.086 3.709 8.110 1.00 19.41 C ATOM 1458 O PHE A 152 -19.623 3.814 6.991 1.00 18.95 O ATOM 1459 CB PHE A 152 -17.935 5.566 9.387 1.00 17.48 C ATOM 1460 CG PHE A 152 -18.884 6.623 8.903 1.00 24.33 C ATOM 1461 CD1 PHE A 152 -20.177 6.689 9.406 1.00 26.23 C ATOM 1462 CD2 PHE A 152 -18.484 7.563 7.976 1.00 21.14 C ATOM 1463 CE1 PHE A 152 -21.064 7.663 8.975 1.00 25.39 C ATOM 1464 CE2 PHE A 152 -19.377 8.546 7.521 1.00 23.56 C ATOM 1465 CZ PHE A 152 -20.672 8.594 8.028 1.00 25.69 C ATOM 1466 H PHE A 152 -17.710 5.281 6.438 1.00 0.00 H ATOM 1467 N THR A 153 -19.609 2.967 9.087 1.00 20.84 N ATOM 1468 CA THR A 153 -20.699 2.056 8.803 1.00 20.75 C ATOM 1469 C THR A 153 -21.764 2.147 9.880 1.00 17.27 C ATOM 1470 O THR A 153 -21.437 2.322 11.075 1.00 21.03 O ATOM 1471 CB THR A 153 -20.174 0.608 8.689 1.00 22.41 C ATOM 1472 OG1 THR A 153 -19.361 0.510 7.509 1.00 22.31 O ATOM 1473 CG2 THR A 153 -21.320 -0.388 8.582 1.00 24.48 C ATOM 1474 HG1 THR A 153 -18.601 1.141 7.580 1.00 0.00 H ATOM 1475 H THR A 153 -19.234 3.042 10.054 1.00 0.00 H ATOM 1476 N LEU A 154 -23.023 2.064 9.447 1.00 20.59 N ATOM 1477 CA LEU A 154 -24.163 1.919 10.362 1.00 23.66 C ATOM 1478 C LEU A 154 -24.486 0.433 10.537 1.00 23.93 C ATOM 1479 O LEU A 154 -24.671 -0.287 9.547 1.00 21.34 O ATOM 1480 CB LEU A 154 -25.399 2.658 9.825 1.00 20.43 C ATOM 1481 CG LEU A 154 -26.698 2.472 10.631 1.00 21.17 C ATOM 1482 CD1 LEU A 154 -26.556 3.161 11.981 1.00 23.37 C ATOM 1483 CD2 LEU A 154 -27.898 3.019 9.857 1.00 25.82 C ATOM 1484 H LEU A 154 -23.204 2.103 8.424 1.00 0.00 H ATOM 1485 N TYR A 155 -24.526 -0.015 11.787 1.00 23.99 N ATOM 1486 CA TYR A 155 -24.764 -1.412 12.140 1.00 25.82 C ATOM 1487 C TYR A 155 -26.044 -1.583 12.909 1.00 31.14 C ATOM 1488 O TYR A 155 -26.412 -0.715 13.703 1.00 27.16 O ATOM 1489 CB TYR A 155 -23.627 -1.979 13.009 1.00 25.60 C ATOM 1490 CG TYR A 155 -22.377 -2.290 12.223 1.00 24.75 C ATOM 1491 CD1 TYR A 155 -22.282 -3.462 11.474 1.00 27.85 C ATOM 1492 CD2 TYR A 155 -21.298 -1.414 12.223 1.00 23.13 C ATOM 1493 CE1 TYR A 155 -21.141 -3.755 10.737 1.00 29.58 C ATOM 1494 CE2 TYR A 155 -20.148 -1.688 11.450 1.00 24.73 C ATOM 1495 CZ TYR A 155 -20.091 -2.867 10.724 1.00 30.16 C ATOM 1496 OH TYR A 155 -18.981 -3.174 9.988 1.00 31.93 O ATOM 1497 HH TYR A 155 -18.194 -3.227 10.586 1.00 0.00 H ATOM 1498 H TYR A 155 -24.380 0.668 12.558 1.00 0.00 H ATOM 1499 N ALA A 156 -26.673 -2.743 12.727 1.00 29.41 N ATOM 1500 CA ALA A 156 -27.710 -3.178 13.645 1.00 32.55 C ATOM 1501 C ALA A 156 -27.172 -4.296 14.530 1.00 34.93 C ATOM 1502 O ALA A 156 -26.413 -5.169 14.076 1.00 35.25 O ATOM 1503 CB ALA A 156 -28.949 -3.630 12.892 1.00 34.57 C ATOM 1504 H ALA A 156 -26.418 -3.344 11.918 1.00 0.00 H ATOM 1505 N SER A 157 -27.561 -4.250 15.801 1.00 37.15 N ATOM 1506 CA SER A 157 -27.112 -5.223 16.783 1.00 40.03 C ATOM 1507 C SER A 157 -28.255 -6.141 17.222 1.00 44.42 C ATOM 1508 O SER A 157 -29.329 -5.663 17.591 1.00 47.16 O ATOM 1509 CB SER A 157 -26.521 -4.500 17.995 1.00 40.00 C ATOM 1510 OG SER A 157 -26.409 -5.374 19.090 1.00 43.79 O ATOM 1511 HG SER A 157 -26.025 -4.887 19.862 1.00 0.00 H ATOM 1512 H SER A 157 -28.208 -3.493 16.102 1.00 0.00 H ATOM 1513 N SER A 158 -28.025 -7.449 17.177 1.00 47.05 N ATOM 1514 CA SER A 158 -29.051 -8.418 17.578 1.00 54.30 C ATOM 1515 C SER A 158 -28.443 -9.536 18.408 1.00 63.45 C ATOM 1516 O SER A 158 -27.265 -9.834 18.280 1.00 59.23 O ATOM 1517 CB SER A 158 -29.744 -9.012 16.358 1.00 64.97 C ATOM 1518 OG SER A 158 -28.866 -9.876 15.656 1.00 68.96 O ATOM 1519 HG SER A 158 -28.072 -9.366 15.357 1.00 0.00 H ATOM 1520 H SER A 158 -27.099 -7.793 16.851 1.00 0.00 H ATOM 1521 N PHE A 159 -29.244 -10.170 19.254 1.00 76.80 N ATOM 1522 CA PHE A 159 -28.700 -11.202 20.122 1.00 94.35 C ATOM 1523 C PHE A 159 -29.565 -12.452 20.165 1.00 99.99 C ATOM 1524 O PHE A 159 -30.754 -12.388 20.465 1.00103.28 O ATOM 1525 CB PHE A 159 -28.507 -10.661 21.538 1.00104.24 C ATOM 1526 CG PHE A 159 -28.035 -11.697 22.520 1.00116.04 C ATOM 1527 CD1 PHE A 159 -26.702 -12.076 22.560 1.00117.70 C ATOM 1528 CD2 PHE A 159 -28.924 -12.294 23.405 1.00121.92 C ATOM 1529 CE1 PHE A 159 -26.266 -13.030 23.465 1.00119.72 C ATOM 1530 CE2 PHE A 159 -28.493 -13.247 24.311 1.00122.08 C ATOM 1531 CZ PHE A 159 -27.163 -13.615 24.342 1.00121.69 C ATOM 1532 H PHE A 159 -30.255 -9.930 19.296 1.00 0.00 H ATOM 1533 N ALA A 160 -28.947 -13.589 19.869 1.00101.49 N ATOM 1534 CA ALA A 160 -29.618 -14.877 19.946 1.00108.02 C ATOM 1535 C ALA A 160 -28.589 -15.983 20.130 1.00113.95 C ATOM 1536 O ALA A 160 -27.464 -15.878 19.639 1.00116.12 O ATOM 1537 CB ALA A 160 -30.450 -15.124 18.700 1.00106.88 C ATOM 1538 H ALA A 160 -27.951 -13.558 19.572 1.00 0.00 H ATOM 1539 N ARG A 161 -28.971 -17.031 20.849 1.00122.70 N ATOM 1540 CA ARG A 161 -28.120 -18.207 21.013 1.00129.64 C ATOM 1541 C ARG A 161 -26.880 -17.935 21.867 1.00127.55 C ATOM 1542 O ARG A 161 -25.971 -18.763 21.928 1.00131.75 O ATOM 1543 CB ARG A 161 -27.693 -18.737 19.643 1.00131.48 C ATOM 1544 CG ARG A 161 -28.847 -18.963 18.686 1.00132.83 C ATOM 1545 CD ARG A 161 -28.594 -18.292 17.347 1.00124.56 C ATOM 1546 NE ARG A 161 -29.594 -18.685 16.361 1.00127.24 N ATOM 1547 CZ ARG A 161 -29.646 -18.216 15.120 1.00123.27 C ATOM 1548 NH1 ARG A 161 -30.593 -18.635 14.289 1.00122.22 N ATOM 1549 NH2 ARG A 161 -28.749 -17.328 14.712 1.00120.48 N ATOM 1550 HE ARG A 161 -30.314 -19.378 16.649 1.00 0.00 H ATOM 1551 HH12 ARG A 161 -30.632 -18.267 13.317 1.00 0.00 H ATOM 1552 HH11 ARG A 161 -31.295 -19.332 14.610 1.00 0.00 H ATOM 1553 HH22 ARG A 161 -28.787 -16.959 13.740 1.00 0.00 H ATOM 1554 HH21 ARG A 161 -28.007 -17.001 15.364 1.00 0.00 H ATOM 1555 H ARG A 161 -29.904 -17.015 21.309 1.00 0.00 H ATOM 1556 N GLY A 162 -26.846 -16.782 22.525 1.00121.43 N ATOM 1557 CA GLY A 162 -25.718 -16.428 23.369 1.00120.47 C ATOM 1558 C GLY A 162 -24.597 -15.759 22.595 1.00114.84 C ATOM 1559 O GLY A 162 -23.499 -15.549 23.119 1.00115.00 O ATOM 1560 H GLY A 162 -27.643 -16.120 22.434 1.00 0.00 H ATOM 1561 N ARG A 163 -24.877 -15.424 21.340 1.00100.23 N ATOM 1562 CA ARG A 163 -23.904 -14.749 20.495 1.00 89.14 C ATOM 1563 C ARG A 163 -24.498 -13.482 19.891 1.00 86.66 C ATOM 1564 O ARG A 163 -25.540 -13.513 19.233 1.00 84.89 O ATOM 1565 CB ARG A 163 -23.410 -15.681 19.390 1.00 87.14 C ATOM 1566 CG ARG A 163 -22.813 -16.974 19.912 1.00 98.70 C ATOM 1567 CD ARG A 163 -22.221 -17.805 18.792 1.00103.39 C ATOM 1568 NE ARG A 163 -21.720 -19.086 19.281 1.00111.59 N ATOM 1569 CZ ARG A 163 -21.160 -20.011 18.509 1.00114.51 C ATOM 1570 NH1 ARG A 163 -21.029 -19.793 17.206 1.00111.11 N ATOM 1571 NH2 ARG A 163 -20.733 -21.152 19.039 1.00119.56 N ATOM 1572 HE ARG A 163 -21.807 -19.287 20.298 1.00 0.00 H ATOM 1573 HH12 ARG A 163 -20.591 -20.515 16.599 1.00 0.00 H ATOM 1574 HH11 ARG A 163 -21.364 -18.900 16.792 1.00 0.00 H ATOM 1575 HH22 ARG A 163 -20.295 -21.875 18.433 1.00 0.00 H ATOM 1576 HH21 ARG A 163 -20.837 -21.322 20.060 1.00 0.00 H ATOM 1577 H ARG A 163 -25.815 -15.650 20.952 1.00 0.00 H ATOM 1578 N THR A 164 -23.832 -12.362 20.132 1.00 79.13 N ATOM 1579 CA THR A 164 -24.262 -11.098 19.565 1.00 72.31 C ATOM 1580 C THR A 164 -23.779 -11.005 18.120 1.00 62.70 C ATOM 1581 O THR A 164 -22.676 -11.447 17.799 1.00 56.93 O ATOM 1582 CB THR A 164 -23.748 -9.912 20.398 1.00 74.70 C ATOM 1583 OG1 THR A 164 -22.614 -10.330 21.169 1.00 77.41 O ATOM 1584 CG2 THR A 164 -24.835 -9.440 21.361 1.00 63.87 C ATOM 1585 HG1 THR A 164 -22.282 -9.567 21.706 1.00 0.00 H ATOM 1586 H THR A 164 -22.987 -12.390 20.738 1.00 0.00 H ATOM 1587 N ARG A 165 -24.631 -10.469 17.250 1.00 45.32 N ATOM 1588 CA ARG A 165 -24.314 -10.313 15.830 1.00 42.33 C ATOM 1589 C ARG A 165 -24.451 -8.865 15.434 1.00 41.60 C ATOM 1590 O ARG A 165 -25.384 -8.193 15.876 1.00 45.68 O ATOM 1591 CB ARG A 165 -25.242 -11.153 14.951 1.00 50.67 C ATOM 1592 CG ARG A 165 -25.257 -12.631 15.292 1.00 62.45 C ATOM 1593 CD ARG A 165 -23.849 -13.195 15.247 1.00 74.90 C ATOM 1594 NE ARG A 165 -23.185 -12.878 13.985 1.00 79.86 N ATOM 1595 CZ ARG A 165 -23.144 -13.696 12.937 1.00 80.36 C ATOM 1596 NH1 ARG A 165 -23.723 -14.894 13.003 1.00 76.62 N ATOM 1597 NH2 ARG A 165 -22.518 -13.317 11.827 1.00 77.12 N ATOM 1598 HE ARG A 165 -22.715 -11.954 13.901 1.00 0.00 H ATOM 1599 HH12 ARG A 165 -23.691 -15.533 12.183 1.00 0.00 H ATOM 1600 HH11 ARG A 165 -24.207 -15.190 13.874 1.00 0.00 H ATOM 1601 HH22 ARG A 165 -22.484 -13.954 11.006 1.00 0.00 H ATOM 1602 HH21 ARG A 165 -22.062 -12.383 11.780 1.00 0.00 H ATOM 1603 H ARG A 165 -25.559 -10.148 17.593 1.00 0.00 H ATOM 1604 N TYR A 166 -23.527 -8.384 14.604 1.00 35.50 N ATOM 1605 CA TYR A 166 -23.654 -7.061 14.020 1.00 31.00 C ATOM 1606 C TYR A 166 -23.918 -7.210 12.520 1.00 47.75 C ATOM 1607 O TYR A 166 -23.202 -7.934 11.835 1.00 51.56 O ATOM 1608 CB TYR A 166 -22.395 -6.216 14.243 1.00 35.03 C ATOM 1609 CG TYR A 166 -21.979 -6.063 15.679 1.00 36.65 C ATOM 1610 CD1 TYR A 166 -22.914 -5.843 16.687 1.00 31.55 C ATOM 1611 CD2 TYR A 166 -20.641 -6.135 16.028 1.00 34.63 C ATOM 1612 CE1 TYR A 166 -22.510 -5.705 18.002 1.00 33.30 C ATOM 1613 CE2 TYR A 166 -20.234 -5.994 17.315 1.00 36.59 C ATOM 1614 CZ TYR A 166 -21.160 -5.775 18.304 1.00 41.13 C ATOM 1615 OH TYR A 166 -20.703 -5.645 19.588 1.00 40.91 O ATOM 1616 HH TYR A 166 -21.469 -5.492 20.196 1.00 0.00 H ATOM 1617 H TYR A 166 -22.699 -8.967 14.370 1.00 0.00 H ATOM 1618 N THR A 167 -24.940 -6.527 12.014 1.00 33.00 N ATOM 1619 CA THR A 167 -25.270 -6.587 10.591 1.00 34.17 C ATOM 1620 C THR A 167 -25.100 -5.223 9.952 1.00 26.09 C ATOM 1621 O THR A 167 -25.735 -4.266 10.375 1.00 30.95 O ATOM 1622 CB THR A 167 -26.717 -7.072 10.370 1.00 39.48 C ATOM 1623 OG1 THR A 167 -26.910 -8.307 11.055 1.00 45.26 O ATOM 1624 CG2 THR A 167 -26.992 -7.293 8.898 1.00 39.15 C ATOM 1625 HG1 THR A 167 -26.748 -8.175 12.023 1.00 0.00 H ATOM 1626 H THR A 167 -25.518 -5.936 12.645 1.00 0.00 H ATOM 1627 N PRO A 168 -24.239 -5.114 8.915 1.00 25.69 N ATOM 1628 CA PRO A 168 -24.073 -3.807 8.287 1.00 25.61 C ATOM 1629 C PRO A 168 -25.352 -3.373 7.558 1.00 26.06 C ATOM 1630 O PRO A 168 -25.980 -4.215 6.891 1.00 27.34 O ATOM 1631 CB PRO A 168 -22.909 -4.039 7.301 1.00 23.20 C ATOM 1632 CG PRO A 168 -22.970 -5.484 6.987 1.00 29.03 C ATOM 1633 CD PRO A 168 -23.406 -6.147 8.275 1.00 29.84 C ATOM 1634 N LEU A 169 -25.742 -2.108 7.721 1.00 24.51 N ATOM 1635 CA LEU A 169 -26.931 -1.554 7.067 1.00 25.49 C ATOM 1636 C LEU A 169 -26.560 -0.591 5.946 1.00 31.44 C ATOM 1637 O LEU A 169 -27.141 -0.631 4.867 1.00 26.35 O ATOM 1638 CB LEU A 169 -27.828 -0.807 8.067 1.00 24.93 C ATOM 1639 CG LEU A 169 -28.392 -1.614 9.250 1.00 36.45 C ATOM 1640 CD1 LEU A 169 -29.367 -0.755 10.050 1.00 33.21 C ATOM 1641 CD2 LEU A 169 -29.092 -2.884 8.745 1.00 35.00 C ATOM 1642 H LEU A 169 -25.179 -1.489 8.338 1.00 0.00 H ATOM 1643 N LYS A 170 -25.603 0.287 6.229 1.00 24.73 N ATOM 1644 CA LYS A 170 -25.166 1.318 5.286 1.00 23.18 C ATOM 1645 C LYS A 170 -23.708 1.674 5.553 1.00 24.34 C ATOM 1646 O LYS A 170 -23.260 1.651 6.702 1.00 23.30 O ATOM 1647 CB LYS A 170 -26.023 2.585 5.395 1.00 24.94 C ATOM 1648 CG LYS A 170 -27.535 2.347 5.468 1.00 27.50 C ATOM 1649 CD LYS A 170 -28.303 3.667 5.533 1.00 33.11 C ATOM 1650 CE LYS A 170 -29.831 3.458 5.532 1.00 38.73 C ATOM 1651 NZ LYS A 170 -30.346 2.841 6.795 1.00 32.60 N ATOM 1652 HZ1 LYS A 170 -29.902 1.910 6.931 1.00 0.00 H ATOM 1653 HZ2 LYS A 170 -30.114 3.457 7.600 1.00 0.00 H ATOM 1654 HZ3 LYS A 170 -31.378 2.728 6.729 1.00 0.00 H ATOM 1655 H LYS A 170 -25.145 0.239 7.161 1.00 0.00 H ATOM 1656 N ARG A 171 -22.977 2.008 4.492 1.00 20.05 N ATOM 1657 CA ARG A 171 -21.615 2.495 4.614 1.00 20.21 C ATOM 1658 C ARG A 171 -21.482 3.840 3.911 1.00 22.41 C ATOM 1659 O ARG A 171 -22.188 4.115 2.936 1.00 22.96 O ATOM 1660 CB ARG A 171 -20.619 1.490 4.017 1.00 20.30 C ATOM 1661 CG ARG A 171 -20.748 0.106 4.620 1.00 20.55 C ATOM 1662 CD ARG A 171 -19.543 -0.721 4.225 1.00 19.87 C ATOM 1663 NE ARG A 171 -19.769 -2.154 4.406 1.00 27.99 N ATOM 1664 CZ ARG A 171 -19.498 -2.823 5.517 1.00 27.69 C ATOM 1665 NH1 ARG A 171 -19.011 -2.180 6.571 1.00 26.40 N ATOM 1666 NH2 ARG A 171 -19.722 -4.132 5.569 1.00 27.91 N ATOM 1667 HE ARG A 171 -20.170 -2.685 3.607 1.00 0.00 H ATOM 1668 HH12 ARG A 171 -18.797 -2.701 7.445 1.00 0.00 H ATOM 1669 HH11 ARG A 171 -18.843 -1.155 6.523 1.00 0.00 H ATOM 1670 HH22 ARG A 171 -19.511 -4.662 6.439 1.00 0.00 H ATOM 1671 HH21 ARG A 171 -20.108 -4.627 4.740 1.00 0.00 H ATOM 1672 H ARG A 171 -23.395 1.917 3.544 1.00 0.00 H ATOM 1673 N TRP A 172 -20.571 4.672 4.394 1.00 19.93 N ATOM 1674 CA TRP A 172 -20.271 5.939 3.737 1.00 21.50 C ATOM 1675 C TRP A 172 -18.762 6.139 3.625 1.00 17.93 C ATOM 1676 O TRP A 172 -18.054 6.026 4.612 1.00 18.76 O ATOM 1677 CB TRP A 172 -20.870 7.116 4.505 1.00 21.88 C ATOM 1678 CG TRP A 172 -22.369 7.116 4.626 1.00 24.72 C ATOM 1679 CD1 TRP A 172 -23.256 7.780 3.817 1.00 25.69 C ATOM 1680 CD2 TRP A 172 -23.155 6.435 5.615 1.00 23.27 C ATOM 1681 NE1 TRP A 172 -24.553 7.565 4.253 1.00 28.12 N ATOM 1682 CE2 TRP A 172 -24.519 6.733 5.346 1.00 25.03 C ATOM 1683 CE3 TRP A 172 -22.845 5.602 6.698 1.00 22.21 C ATOM 1684 CZ2 TRP A 172 -25.572 6.225 6.129 1.00 25.68 C ATOM 1685 CZ3 TRP A 172 -23.894 5.100 7.481 1.00 22.90 C ATOM 1686 CH2 TRP A 172 -25.239 5.410 7.187 1.00 22.52 C ATOM 1687 HE1 TRP A 172 -25.411 7.967 3.824 1.00 0.00 H ATOM 1688 H TRP A 172 -20.058 4.416 5.262 1.00 0.00 H ATOM 1689 N ALA A 173 -18.279 6.458 2.420 1.00 19.14 N ATOM 1690 CA ALA A 173 -16.858 6.761 2.259 1.00 20.61 C ATOM 1691 C ALA A 173 -16.516 8.105 2.901 1.00 23.49 C ATOM 1692 O ALA A 173 -17.340 9.028 2.914 1.00 20.51 O ATOM 1693 CB ALA A 173 -16.476 6.801 0.746 1.00 20.71 C ATOM 1694 H ALA A 173 -18.914 6.491 1.597 1.00 0.00 H ATOM 1695 N LEU A 174 -15.293 8.265 3.386 1.00 20.77 N ATOM 1696 CA LEU A 174 -14.890 9.565 3.928 1.00 18.79 C ATOM 1697 C LEU A 174 -14.310 10.485 2.843 1.00 22.00 C ATOM 1698 O LEU A 174 -13.165 10.309 2.447 1.00 23.31 O ATOM 1699 CB LEU A 174 -13.877 9.355 5.055 1.00 23.17 C ATOM 1700 CG LEU A 174 -14.499 8.701 6.291 1.00 22.87 C ATOM 1701 CD1 LEU A 174 -13.416 8.307 7.297 1.00 25.96 C ATOM 1702 CD2 LEU A 174 -15.503 9.660 6.922 1.00 23.66 C ATOM 1703 H LEU A 174 -14.622 7.471 3.382 1.00 0.00 H ATOM 1704 N THR A 175 -15.114 11.441 2.365 1.00 20.74 N ATOM 1705 CA THR A 175 -14.761 12.323 1.231 1.00 25.91 C ATOM 1706 C THR A 175 -14.923 13.808 1.555 1.00 35.01 C ATOM 1707 O THR A 175 -15.844 14.196 2.265 1.00 25.79 O ATOM 1708 CB THR A 175 -15.621 12.023 -0.043 1.00 35.72 C ATOM 1709 OG1 THR A 175 -16.999 12.386 0.175 1.00 31.04 O ATOM 1710 CG2 THR A 175 -15.529 10.550 -0.440 1.00 26.75 C ATOM 1711 HG1 THR A 175 -17.056 13.353 0.380 1.00 0.00 H ATOM 1712 H THR A 175 -16.041 11.572 2.817 1.00 0.00 H ATOM 1713 N GLN A 176 -14.037 14.639 1.005 1.00 34.39 N ATOM 1714 CA GLN A 176 -14.048 16.076 1.261 1.00 33.49 C ATOM 1715 C GLN A 176 -15.203 16.800 0.566 1.00 37.91 C ATOM 1716 O GLN A 176 -15.585 17.897 0.969 1.00 43.71 O ATOM 1717 CB GLN A 176 -12.729 16.702 0.808 1.00 45.77 C ATOM 1718 CG GLN A 176 -11.608 16.626 1.817 1.00 48.77 C ATOM 1719 CD GLN A 176 -11.593 17.816 2.759 1.00 53.68 C ATOM 1720 OE1 GLN A 176 -12.641 18.293 3.200 1.00 50.85 O ATOM 1721 NE2 GLN A 176 -10.397 18.306 3.067 1.00 53.81 N ATOM 1722 OXT GLN A 176 -15.772 16.338 -0.422 1.00 40.74 O ATOM 1723 HE22 GLN A 176 -9.539 17.871 2.671 1.00 0.00 H ATOM 1724 HE21 GLN A 176 -10.319 19.124 3.704 1.00 0.00 H ATOM 1725 H GLN A 176 -13.311 14.249 0.370 1.00 0.00 H TER 1726 GLN A 176 HETATM 1727 MG MG A 1 -24.051 -4.054 25.349 1.00 68.74 MG HETATM 1728 O HOH 2 -12.224 7.587 1.875 1.00 39.70 O HETATM 1729 O HOH 3 -16.474 15.614 10.131 1.00 51.10 O HETATM 1730 O HOH 4 -38.749 5.985 2.689 1.00 64.67 O HETATM 1731 O HOH 5 -17.605 -3.110 24.856 1.00 52.05 O HETATM 1732 O HOH 6 -9.672 10.980 -4.915 1.00 28.58 O HETATM 1733 O HOH 7 -9.655 -12.605 12.174 1.00 47.31 O HETATM 1734 O HOH 8 -17.300 14.289 -1.231 1.00 33.95 O HETATM 1735 O HOH 9 -15.873 19.029 5.571 1.00 55.45 O HETATM 1736 O HOH 10 -21.412 -9.878 14.114 1.00 42.06 O HETATM 1737 O HOH 11 -10.938 13.506 8.645 1.00 42.14 O HETATM 1738 O HOH 12 -6.616 12.873 7.031 1.00 56.89 O HETATM 1739 O HOH 13 -16.702 -0.554 0.809 1.00 22.20 O HETATM 1740 O HOH 14 -37.812 9.551 8.422 1.00 50.04 O HETATM 1741 O HOH 15 -5.424 -17.152 25.853 1.00 46.14 O HETATM 1742 O HOH 16 -19.067 -4.988 27.649 1.00 54.75 O HETATM 1743 O HOH 17 -11.572 17.156 12.009 1.00 56.03 O HETATM 1744 O HOH 18 -3.502 9.690 12.135 1.00 51.88 O HETATM 1745 O HOH 19 -14.125 -4.394 12.326 1.00 28.29 O HETATM 1746 O HOH 20 -10.215 -10.055 34.803 1.00 50.96 O HETATM 1747 O HOH 21 -28.423 7.086 21.794 1.00 59.88 O HETATM 1748 O HOH 22 -29.492 -1.624 4.550 1.00 51.95 O HETATM 1749 O HOH 23 -32.513 13.606 8.152 1.00 39.66 O HETATM 1750 O HOH 24 1.786 1.624 24.457 1.00 23.92 O HETATM 1751 O HOH 25 -3.503 1.590 29.648 1.00 49.83 O HETATM 1752 O HOH 26 0.602 6.890 12.887 1.00 46.20 O HETATM 1753 O HOH 27 -13.217 12.338 -3.029 1.00 43.74 O HETATM 1754 O HOH 28 -0.240 3.558 8.346 1.00 32.05 O HETATM 1755 O HOH 29 3.336 -6.564 14.023 1.00 41.11 O HETATM 1756 O HOH 30 -27.575 12.776 2.754 1.00 36.73 O HETATM 1757 O HOH 31 -8.103 5.971 21.983 1.00 33.91 O HETATM 1758 O HOH 32 -20.898 7.710 25.105 1.00 59.80 O HETATM 1759 O HOH 33 -17.377 -5.556 20.565 1.00 30.82 O HETATM 1760 O HOH 34 -23.662 10.927 0.682 1.00 24.90 O HETATM 1761 O HOH 35 -1.539 -16.478 20.045 1.00 45.16 O HETATM 1762 O HOH 36 -17.824 -6.393 30.107 1.00 41.36 O HETATM 1763 O HOH 37 -14.477 1.840 8.850 1.00 24.04 O HETATM 1764 O HOH 38 -17.636 -2.630 22.015 1.00 30.96 O HETATM 1765 O HOH 39 -27.255 8.436 3.475 1.00 26.25 O HETATM 1766 O HOH 40 3.015 -6.749 23.351 1.00 37.74 O HETATM 1767 O HOH 41 -7.963 -14.181 25.512 1.00 40.52 O HETATM 1768 O HOH 42 -1.383 8.086 19.555 1.00 25.43 O HETATM 1769 O HOH 43 -2.373 -1.232 7.131 1.00 40.86 O HETATM 1770 O HOH 44 -0.213 -10.585 16.627 1.00 34.95 O HETATM 1771 O HOH 45 -12.648 -13.036 11.038 1.00 65.81 O HETATM 1772 O HOH 46 -35.240 2.744 8.009 1.00 46.17 O HETATM 1773 O HOH 47 -16.766 0.571 8.362 1.00 32.42 O HETATM 1774 O HOH 48 -11.865 1.385 8.727 1.00 24.07 O HETATM 1775 O HOH 49 -17.842 8.676 25.477 1.00 53.90 O HETATM 1776 O HOH 50 -23.025 18.012 2.871 1.00 31.09 O HETATM 1777 O HOH 51 -9.418 -14.330 27.769 1.00 46.42 O HETATM 1778 O HOH 52 -28.293 -5.205 5.804 1.00 49.32 O HETATM 1779 O HOH 53 -3.025 12.536 16.588 1.00 45.11 O HETATM 1780 O HOH 54 -11.790 -6.012 40.528 1.00 51.63 O HETATM 1781 O HOH 55 -26.651 10.560 11.658 1.00 31.38 O HETATM 1782 O HOH 56 -18.796 10.056 0.811 1.00 23.63 O HETATM 1783 O HOH 57 -25.584 18.019 10.657 1.00 31.86 O HETATM 1784 O HOH 58 -27.710 -7.913 13.668 1.00 39.57 O HETATM 1785 O HOH 59 -29.679 18.466 11.136 1.00 59.96 O HETATM 1786 O HOH 60 -15.577 -13.923 14.617 1.00 60.56 O HETATM 1787 O HOH 61 3.101 -10.036 21.556 1.00 40.81 O HETATM 1788 O HOH 62 -6.270 5.612 24.763 1.00 51.68 O HETATM 1789 O HOH 63 -21.163 11.035 4.269 1.00 20.17 O HETATM 1790 O HOH 64 -15.930 0.860 20.661 1.00 24.13 O HETATM 1791 O HOH 65 -8.084 7.081 4.403 1.00 33.99 O HETATM 1792 O HOH 66 -7.407 0.439 4.803 1.00 33.45 O HETATM 1793 O HOH 67 -32.636 -1.320 8.110 1.00 43.46 O HETATM 1794 O HOH 68 -24.581 19.504 19.084 1.00 52.42 O HETATM 1795 O HOH 69 -39.698 7.734 15.338 1.00 52.97 O HETATM 1796 O HOH 70 -4.307 10.650 9.532 1.00 38.94 O HETATM 1797 O HOH 71 -22.947 7.358 21.593 1.00 37.61 O HETATM 1798 O HOH 72 -34.908 0.828 12.453 1.00 53.23 O HETATM 1799 O HOH 73 -17.479 11.894 3.866 1.00 28.49 O HETATM 1800 O HOH 74 -26.751 -0.840 26.172 1.00 54.65 O HETATM 1801 O HOH 75 -10.084 0.749 35.660 1.00 46.33 O HETATM 1802 O HOH 76 -5.273 -3.615 34.816 1.00 52.26 O HETATM 1803 O HOH 77 -15.734 18.199 16.690 1.00 61.27 O HETATM 1804 O HOH 78 -36.877 5.830 17.284 1.00 48.22 O HETATM 1805 O HOH 79 -26.475 9.967 14.338 1.00 27.16 O HETATM 1806 O HOH 80 -18.625 -3.733 13.111 1.00 48.02 O HETATM 1807 O HOH 81 -18.923 -5.348 8.128 1.00 54.24 O HETATM 1808 O HOH 82 -7.949 -14.422 20.799 1.00 46.10 O HETATM 1809 O HOH 83 -9.222 -11.567 9.628 1.00 50.71 O HETATM 1810 O HOH 84 -15.130 3.911 20.856 1.00 24.74 O HETATM 1811 O HOH 85 -14.703 -4.483 19.700 1.00 26.65 O HETATM 1812 O HOH 86 -6.328 -6.852 5.608 1.00 32.26 O HETATM 1813 O HOH 87 -2.423 4.628 6.657 1.00 50.84 O HETATM 1814 O HOH 88 -4.061 1.125 5.171 1.00 29.11 O HETATM 1815 O HOH 89 -31.582 -4.631 16.010 1.00 38.99 O HETATM 1816 O HOH 90 -15.399 -1.901 20.807 1.00 24.43 O HETATM 1817 O HOH 91 -12.883 2.229 35.012 1.00 46.14 O HETATM 1818 O HOH 92 -11.181 16.319 9.392 1.00 44.40 O HETATM 1819 O HOH 93 -17.041 20.140 2.212 1.00 55.03 O HETATM 1820 O HOH 94 -32.248 7.367 4.396 1.00 53.70 O HETATM 1821 O HOH 95 -40.928 3.908 11.852 1.00 50.50 O HETATM 1822 O HOH 96 -33.104 3.730 6.062 1.00 63.21 O HETATM 1823 O HOH 97 -18.066 0.835 22.465 1.00 30.51 O HETATM 1824 O HOH 98 -25.643 14.191 0.832 1.00 34.99 O HETATM 1825 O HOH 99 4.246 -7.262 17.380 1.00 33.68 O HETATM 1826 O HOH 100 0.189 9.007 26.359 1.00 33.05 O HETATM 1827 O HOH 101 1.297 -8.202 15.720 1.00 31.98 O HETATM 1828 O HOH 102 4.073 -4.581 9.594 1.00 31.22 O HETATM 1829 O HOH 103 -9.945 -6.129 4.976 1.00 37.11 O HETATM 1830 O HOH 104 -0.198 2.933 28.356 1.00 52.54 O HETATM 1831 O HOH 105 -19.087 3.122 22.896 1.00 39.96 O HETATM 1832 O HOH 106 -2.519 15.304 19.922 1.00 49.11 O HETATM 1833 O HOH 107 -5.822 12.237 24.142 1.00 56.36 O HETATM 1834 O HOH 108 -22.738 -2.604 25.892 1.00 50.95 O HETATM 1835 O HOH 109 -20.130 -7.635 11.360 1.00 55.26 O HETATM 1836 O HOH 110 -33.105 3.823 22.984 1.00 43.61 O HETATM 1837 O HOH 111 -2.820 7.297 17.489 1.00 43.47 O HETATM 1838 O HOH 112 -18.898 -7.829 21.058 1.00 49.52 O HETATM 1839 O HOH 113 -6.872 13.378 11.223 1.00 39.79 O HETATM 1840 O HOH 114 -8.597 -14.721 23.195 1.00 57.21 O HETATM 1841 O HOH 115 -18.972 -9.803 22.762 1.00 58.44 O HETATM 1842 O HOH 116 1.573 4.542 29.324 1.00 61.33 O HETATM 1843 O HOH 117 -29.022 13.798 24.027 1.00 54.82 O HETATM 1844 O HOH 118 -0.076 0.399 26.330 1.00 26.72 O HETATM 1845 O HOH 119 -20.419 -7.075 4.375 1.00 23.73 O HETATM 1846 O HOH 120 -4.360 7.275 15.821 1.00 37.21 O HETATM 1847 O HOH 121 -14.453 -7.329 6.517 1.00 64.87 O HETATM 1848 O HOH 122 -11.894 -15.006 17.386 1.00 55.07 O HETATM 1849 O HOH 123 0.976 -0.858 8.414 1.00 53.95 O HETATM 1850 O HOH 124 -29.231 6.291 2.944 1.00 46.21 O HETATM 1851 O HOH 125 -1.637 0.713 6.136 1.00 55.41 O HETATM 1852 O HOH 126 -16.512 5.073 22.990 1.00 30.87 O HETATM 1853 O HOH 127 -5.504 8.321 5.468 1.00 51.98 O HETATM 1854 O HOH 128 -28.287 17.576 1.979 1.00 43.89 O HETATM 1855 O HOH 129 1.431 -11.429 19.183 1.00 30.23 O HETATM 1856 O HOH 130 -2.732 -6.458 37.224 1.00 57.29 O HETATM 1857 O HOH 131 -9.417 7.710 1.863 1.00 52.78 O HETATM 1858 O HOH 132 -3.485 -4.195 36.811 1.00 59.24 O HETATM 1859 O HOH 133 4.473 -8.283 25.188 1.00 42.72 O HETATM 1860 O HOH 134 -9.030 5.589 25.337 1.00 47.45 O HETATM 1861 O HOH 135 -10.062 11.460 22.613 1.00 52.85 O HETATM 1862 O HOH 136 3.128 6.154 29.550 1.00 42.15 O HETATM 1863 O HOH 137 -21.757 19.219 0.749 1.00 48.83 O HETATM 1864 O HOH 138 0.079 -12.285 14.338 1.00 46.44 O HETATM 1865 O HOH 139 -21.427 9.905 1.698 1.00 27.04 O HETATM 1866 O HOH 140 -9.589 13.245 -5.520 1.00 60.11 O HETATM 1867 O HOH 141 -16.040 -6.163 8.578 1.00 55.72 O HETATM 1868 O HOH 142 -24.992 17.893 20.666 1.00 57.41 O HETATM 1869 O HOH 143 6.638 -9.795 23.710 1.00 54.04 O HETATM 1870 O HOH 144 -10.664 -15.821 14.766 1.00 59.45 O HETATM 1871 O HOH 145 -7.933 -13.061 8.127 1.00 54.77 O HETATM 1872 O HOH 146 -4.268 11.687 7.078 1.00 52.27 O HETATM 1873 O HOH 147 -4.144 -3.435 6.945 1.00 54.31 O HETATM 1874 O HOH 148 -8.196 -16.910 19.499 1.00 73.09 O HETATM 1875 O HOH 149 2.811 -8.859 29.640 1.00 56.06 O HETATM 1876 O HOH 150 -29.447 14.755 1.991 1.00 55.44 O HETATM 1877 O HOH 151 -33.220 15.160 10.177 1.00 54.39 O HETATM 1878 O HOH 152 1.714 1.321 7.418 1.00 43.42 O HETATM 1879 O HOH 153 5.029 -1.163 5.612 1.00 42.64 O HETATM 1880 O HOH 154 6.621 -8.739 21.117 1.00 53.88 O HETATM 1881 O HOH 155 -8.351 13.186 22.038 1.00 54.83 O HETATM 1882 O HOH 156 -32.538 17.288 10.733 1.00 45.52 O HETATM 1883 O HOH 157 -21.445 -8.759 7.016 1.00 56.63 O HETATM 1884 PG ATP A 158 -24.274 -7.218 24.368 1.00 0.19 P HETATM 1885 O1G ATP A 158 -25.398 -8.174 24.036 1.00 -0.61 O HETATM 1886 O2G ATP A 158 -24.749 -5.851 24.826 1.00 -0.61 O HETATM 1887 O3G ATP A 158 -23.159 -7.811 25.206 1.00 -0.61 O HETATM 1888 O3B ATP A 158 -23.605 -7.007 22.916 1.00 -0.15 O HETATM 1889 PB ATP A 158 -22.857 -5.649 22.475 1.00 0.36 P HETATM 1890 O1B ATP A 158 -21.731 -6.046 21.546 1.00 -0.57 O HETATM 1891 O2B ATP A 158 -22.548 -4.753 23.658 1.00 -0.57 O HETATM 1892 O3A ATP A 158 -24.035 -5.034 21.560 1.00 -0.12 O HETATM 1893 PA ATP A 158 -24.752 -3.625 21.831 1.00 0.33 P HETATM 1894 O1A ATP A 158 -25.906 -3.566 20.857 1.00 -0.57 O HETATM 1895 O2A ATP A 158 -25.090 -3.478 23.321 1.00 -0.57 O HETATM 1896 O5' ATP A 158 -23.618 -2.534 21.530 1.00 -0.24 O HETATM 1897 C5' ATP A 158 -23.231 -2.239 20.189 1.00 0.11 C HETATM 1898 C4' ATP A 158 -22.032 -1.317 20.304 1.00 0.12 C HETATM 1899 O4' ATP A 158 -22.434 -0.074 20.889 1.00 -0.34 O HETATM 1900 C1' ATP A 158 -21.772 0.116 22.150 1.00 0.20 C HETATM 1901 C2' ATP A 158 -21.235 -1.249 22.567 1.00 0.14 C HETATM 1902 C3' ATP A 158 -20.980 -1.914 21.224 1.00 0.11 C HETATM 1903 O3' ATP A 158 -19.703 -1.499 20.741 1.00 -0.39 O HETATM 1904 H5 ATP A 158 -19.023 -1.858 21.298 1.00 0.21 H HETATM 1905 H4 ATP A 158 -21.050 -3.010 21.285 1.00 0.06 H HETATM 1906 O2' ATP A 158 -20.067 -1.180 23.407 1.00 -0.38 O HETATM 1907 H7 ATP A 158 -19.390 -0.680 22.966 1.00 0.21 H HETATM 1908 H6 ATP A 158 -22.009 -1.803 23.118 1.00 0.07 H HETATM 1909 N9 ATP A 158 -22.765 0.534 23.167 1.00 -0.19 N HETATM 1910 C8 ATP A 158 -23.743 -0.239 23.690 1.00 0.11 C HETATM 1911 N7 ATP A 158 -24.475 0.454 24.604 1.00 -0.30 N HETATM 1912 C5 ATP A 158 -23.940 1.694 24.677 1.00 0.10 C HETATM 1913 C6 ATP A 158 -24.217 2.934 25.430 1.00 0.13 C HETATM 1914 N6 ATP A 158 -25.243 2.975 26.323 1.00 -0.32 N HETATM 1915 H10 ATP A 158 -25.435 3.840 26.847 1.00 0.18 H HETATM 1916 H11 ATP A 158 -25.828 2.141 26.474 1.00 0.18 H HETATM 1917 N1 ATP A 158 -23.416 4.005 25.196 1.00 -0.27 N HETATM 1918 C2 ATP A 158 -22.396 3.969 24.314 1.00 0.05 C HETATM 1919 N3 ATP A 158 -22.085 2.880 23.585 1.00 -0.27 N HETATM 1920 C4 ATP A 158 -22.808 1.740 23.726 1.00 0.16 C HETATM 1921 H12 ATP A 158 -21.796 4.862 24.185 1.00 0.10 H HETATM 1922 H9 ATP A 158 -23.921 -1.278 23.416 1.00 0.13 H HETATM 1923 H8 ATP A 158 -20.963 0.857 22.064 1.00 0.10 H HETATM 1924 H3 ATP A 158 -21.605 -1.146 19.305 1.00 0.07 H HETATM 1925 H1 ATP A 158 -24.051 -1.738 19.654 1.00 0.06 H HETATM 1926 H2 ATP A 158 -22.956 -3.162 19.657 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1884 1885 1886 1887 1888 CONECT 1885 1884 CONECT 1886 1884 CONECT 1887 1884 CONECT 1888 1884 1889 CONECT 1889 1888 1890 1891 1892 CONECT 1890 1889 CONECT 1891 1889 CONECT 1892 1889 1893 CONECT 1893 1892 1894 1895 1896 CONECT 1894 1893 CONECT 1895 1893 CONECT 1896 1893 1897 CONECT 1897 1896 1898 1925 1926 CONECT 1898 1897 1899 1902 1924 CONECT 1899 1898 1900 CONECT 1900 1899 1901 1909 1923 CONECT 1901 1900 1902 1906 1908 CONECT 1902 1898 1901 1903 1905 CONECT 1903 1902 1904 CONECT 1904 1903 CONECT 1905 1902 CONECT 1906 1901 1907 CONECT 1907 1906 CONECT 1908 1901 CONECT 1909 1900 1910 1920 CONECT 1910 1909 1911 1922 CONECT 1911 1910 1912 CONECT 1912 1911 1913 1920 CONECT 1913 1912 1914 1917 CONECT 1914 1913 1915 1916 CONECT 1915 1914 CONECT 1916 1914 CONECT 1917 1913 1918 CONECT 1918 1917 1919 1921 CONECT 1919 1918 1920 CONECT 1920 1909 1912 1919 CONECT 1921 1918 CONECT 1922 1910 CONECT 1923 1900 CONECT 1924 1898 CONECT 1925 1897 CONECT 1926 1897 MASTER 0 0 0 0 0 0 0 0 1925 1 47 14 END
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Related entries of code: 5ldp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ldk
RCSB PDB
PDBbind
177aa, >5LDK_1|Chains... *
5ldm
RCSB PDB
PDBbind
177aa, >5LDM_1|Chains... at 100%
5ldo
RCSB PDB
PDBbind
177aa, >5LDO_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b38
RCSB PDB
PDBbind
ATP
1b39
RCSB PDB
PDBbind
ATP
1gz3
RCSB PDB
PDBbind
ATP
1gz4
RCSB PDB
PDBbind
ATP
1m83
RCSB PDB
PDBbind
ATP
1mau
RCSB PDB
PDBbind
ATP
1maw
RCSB PDB
PDBbind
ATP
1r0x
RCSB PDB
PDBbind
ATP
1r10
RCSB PDB
PDBbind
ATP
1vjc
RCSB PDB
PDBbind
ATP
1vjd
RCSB PDB
PDBbind
ATP
1xsc
RCSB PDB
PDBbind
ATP
1y8p
RCSB PDB
PDBbind
ATP
1yid
RCSB PDB
PDBbind
ATP
2cbz
RCSB PDB
PDBbind
ATP
2e5y
RCSB PDB
PDBbind
ATP
2fgh
RCSB PDB
PDBbind
ATP
2hmu
RCSB PDB
PDBbind
ATP
2hmw
RCSB PDB
PDBbind
ATP
2j9l
RCSB PDB
PDBbind
ATP
2kmx
RCSB PDB
PDBbind
ATP
2p09
RCSB PDB
PDBbind
ATP
2p0x
RCSB PDB
PDBbind
ATP
2pze
RCSB PDB
PDBbind
ATP
2vhq
RCSB PDB
PDBbind
ATP
2vt3
RCSB PDB
PDBbind
ATP
2w5g
RCSB PDB
PDBbind
ATP
2w5i
RCSB PDB
PDBbind
ATP
2xbp
RCSB PDB
PDBbind
ATP
2ych
RCSB PDB
PDBbind
ATP
3b2q
RCSB PDB
PDBbind
ATP
3d2e
RCSB PDB
PDBbind
ATP
3dgl
RCSB PDB
PDBbind
ATP
3dgo
RCSB PDB
PDBbind
ATP
3dnt
RCSB PDB
PDBbind
ATP
3efs
RCSB PDB
PDBbind
ATP
3lf0
RCSB PDB
PDBbind
ATP
3ncq
RCSB PDB
PDBbind
ATP
3qo3
RCSB PDB
PDBbind
ATP
3qx9
RCSB PDB
PDBbind
ATP
3qxc
RCSB PDB
PDBbind
ATP
3ta0
RCSB PDB
PDBbind
ATP
3umo
RCSB PDB
PDBbind
ATP
3ump
RCSB PDB
PDBbind
ATP
4fut
RCSB PDB
PDBbind
ATP
4fvq
RCSB PDB
PDBbind
ATP
4fvr
RCSB PDB
PDBbind
ATP
4jn4
RCSB PDB
PDBbind
ATP
4jne
RCSB PDB
PDBbind
ATP
4k8o
RCSB PDB
PDBbind
ATP
4ozn
RCSB PDB
PDBbind
ATP
4usw
RCSB PDB
PDBbind
ATP
4wz6
RCSB PDB
PDBbind
ATP
4yb7
RCSB PDB
PDBbind
ATP
5d6j
RCSB PDB
PDBbind
ATP
5eou
RCSB PDB
PDBbind
ATP
5f1c
RCSB PDB
PDBbind
ATP
5f1x
RCSB PDB
PDBbind
ATP
5ldk
RCSB PDB
PDBbind
ATP
5svk
RCSB PDB
PDBbind
ATP
5svl
RCSB PDB
PDBbind
ATP
5tgc
RCSB PDB
PDBbind
ATP
5v2l
RCSB PDB
PDBbind
ATP
5wrs
RCSB PDB
PDBbind
ATP
5x9h
RCSB PDB
PDBbind
ATP
5z68
RCSB PDB
PDBbind
ATP
6cvv
RCSB PDB
PDBbind
ATP
6r4s
RCSB PDB
PDBbind
ATP
6ntb
RCSB PDB
PDBbind
ATP
6mm2
RCSB PDB
PDBbind
ATP
6h78
RCSB PDB
PDBbind
ATP
6h77
RCSB PDB
PDBbind
ATP
6aec
RCSB PDB
PDBbind
ATP
5xvu
RCSB PDB
PDBbind
ATP
Entry Information
PDB ID
5ldp
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
RNA 2',3'-cyclic phosphodiesterase
Ligand Name
ATP
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=67uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) PLoS ONE Vol. 12: pp. e0170355-e0170355
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.07 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/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):
A0A140NFI1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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