Browse entries in the PDBbind-CN Database
HEADER 5TQ1_COMPLEX COMPND 5TQ1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLY SER HIS MET HIS GLU SER LYS GLU TRP TYR HIS ALA SEQRES 2 A 101 SER LEU THR ARG ALA GLN ALA GLU HIS MET LEU MET ARG SEQRES 3 A 101 VAL PRO ARG ASP GLY ALA PHE LEU VAL ARG LYS ARG ASN SEQRES 4 A 101 GLU PRO ASN SER TYR ALA ILE SER PHE ARG ALA GLU GLY SEQRES 5 A 101 LYS ILE LYS HIS CYS ARG VAL GLN GLN GLU GLY GLN THR SEQRES 6 A 101 VAL MET LEU GLY ASN SER GLU PHE ASP SER LEU VAL ASP SEQRES 7 A 101 LEU ILE SER TYR TYR GLU LYS HIS PRO LEU TYR ARG LYS SEQRES 8 A 101 MET LYS LEU ARG TYR PRO ILE ASN GLU GLU HET SER A 265 122 ATOM 1 N GLY A 659 -13.458 -18.147 15.902 1.00 38.62 N ATOM 2 CA GLY A 659 -13.158 -18.777 17.176 1.00 38.37 C ATOM 3 C GLY A 659 -12.256 -17.931 18.051 1.00 33.90 C ATOM 4 O GLY A 659 -11.573 -17.026 17.561 1.00 20.35 O ATOM 5 HN3 GLY A 659 -12.573 -17.982 15.381 1.00 0.00 H ATOM 6 HN2 GLY A 659 -13.937 -17.239 16.070 1.00 0.00 H ATOM 7 HN1 GLY A 659 -14.078 -18.770 15.346 1.00 0.00 H ATOM 8 N SER A 660 -12.243 -18.262 19.348 1.00 29.40 N ATOM 9 CA SER A 660 -11.616 -17.406 20.352 1.00 26.82 C ATOM 10 C SER A 660 -10.124 -17.208 20.090 1.00 21.10 C ATOM 11 O SER A 660 -9.584 -16.125 20.343 1.00 18.08 O ATOM 12 CB SER A 660 -11.842 -18.009 21.739 1.00 42.43 C ATOM 13 OG SER A 660 -11.718 -17.033 22.757 1.00 45.15 O ATOM 14 HG SER A 660 -12.389 -16.320 22.612 1.00 0.00 H ATOM 15 H SER A 660 -12.691 -19.151 19.649 1.00 0.00 H ATOM 16 N HIS A 661 -9.436 -18.240 19.595 1.00 17.80 N ATOM 17 CA HIS A 661 -7.998 -18.161 19.359 1.00 12.44 C ATOM 18 C HIS A 661 -7.632 -18.224 17.877 1.00 11.31 C ATOM 19 O HIS A 661 -6.456 -18.400 17.543 1.00 12.17 O ATOM 20 CB HIS A 661 -7.267 -19.258 20.139 1.00 15.71 C ATOM 21 CG HIS A 661 -7.437 -19.155 21.621 1.00 18.82 C ATOM 22 ND1 HIS A 661 -8.306 -19.957 22.328 1.00 27.16 N ATOM 23 CD2 HIS A 661 -6.855 -18.337 22.529 1.00 33.06 C ATOM 24 CE1 HIS A 661 -8.251 -19.640 23.609 1.00 29.93 C ATOM 25 NE2 HIS A 661 -7.378 -18.660 23.758 1.00 28.14 N ATOM 26 H HIS A 661 -9.938 -19.123 19.372 1.00 0.00 H ATOM 27 N MET A 662 -8.601 -18.032 16.977 1.00 13.02 N ATOM 28 CA MET A 662 -8.330 -18.141 15.547 1.00 10.62 C ATOM 29 C MET A 662 -7.353 -17.085 15.052 1.00 11.10 C ATOM 30 O MET A 662 -6.705 -17.289 14.021 1.00 14.45 O ATOM 31 CB MET A 662 -9.635 -18.007 14.756 1.00 19.85 C ATOM 32 CG MET A 662 -10.560 -19.205 14.856 1.00 29.75 C ATOM 33 SD MET A 662 -9.849 -20.697 14.140 1.00 24.38 S ATOM 34 CE MET A 662 -9.620 -20.210 12.433 1.00 32.09 C ATOM 35 H MET A 662 -9.562 -17.802 17.300 1.00 0.00 H ATOM 36 N HIS A 663 -7.234 -15.960 15.754 1.00 10.95 N ATOM 37 CA HIS A 663 -6.272 -14.945 15.357 1.00 9.84 C ATOM 38 C HIS A 663 -4.838 -15.446 15.479 1.00 9.86 C ATOM 39 O HIS A 663 -3.940 -14.862 14.865 1.00 8.27 O ATOM 40 CB HIS A 663 -6.462 -13.691 16.218 1.00 8.56 C ATOM 41 CG HIS A 663 -6.300 -13.948 17.679 1.00 9.28 C ATOM 42 ND1 HIS A 663 -7.321 -14.446 18.456 1.00 11.14 N ATOM 43 CD2 HIS A 663 -5.226 -13.830 18.497 1.00 8.68 C ATOM 44 CE1 HIS A 663 -6.894 -14.597 19.695 1.00 11.73 C ATOM 45 NE2 HIS A 663 -5.624 -14.236 19.747 1.00 12.83 N ATOM 46 H HIS A 663 -7.832 -15.807 16.591 1.00 0.00 H ATOM 47 N GLU A 664 -4.597 -16.520 16.244 1.00 9.96 N ATOM 48 CA GLU A 664 -3.226 -16.985 16.440 1.00 9.07 C ATOM 49 C GLU A 664 -2.587 -17.528 15.168 1.00 10.46 C ATOM 50 O GLU A 664 -1.365 -17.691 15.148 1.00 13.82 O ATOM 51 CB GLU A 664 -3.166 -18.017 17.568 1.00 10.65 C ATOM 52 CG GLU A 664 -3.482 -17.425 18.925 1.00 12.25 C ATOM 53 CD GLU A 664 -3.058 -18.306 20.077 1.00 21.48 C ATOM 54 OE1 GLU A 664 -3.327 -17.928 21.239 1.00 21.86 O ATOM 55 OE2 GLU A 664 -2.453 -19.369 19.823 1.00 17.25 O ATOM 56 H GLU A 664 -5.386 -17.022 16.698 1.00 0.00 H ATOM 57 N SER A 665 -3.359 -17.790 14.110 1.00 10.13 N ATOM 58 CA SER A 665 -2.774 -18.133 12.816 1.00 10.59 C ATOM 59 C SER A 665 -3.079 -17.097 11.740 1.00 12.57 C ATOM 60 O SER A 665 -2.933 -17.376 10.545 1.00 15.48 O ATOM 61 CB SER A 665 -3.211 -19.521 12.362 1.00 10.88 C ATOM 62 OG SER A 665 -4.608 -19.563 12.179 1.00 12.83 O ATOM 63 HG SER A 665 -4.869 -18.901 11.490 1.00 0.00 H ATOM 64 H SER A 665 -4.393 -17.749 14.209 1.00 0.00 H ATOM 65 N LYS A 666 -3.495 -15.904 12.136 1.00 9.05 N ATOM 66 CA LYS A 666 -3.685 -14.806 11.199 1.00 11.65 C ATOM 67 C LYS A 666 -2.380 -14.040 11.016 1.00 10.79 C ATOM 68 O LYS A 666 -1.673 -13.745 11.985 1.00 11.10 O ATOM 69 CB LYS A 666 -4.767 -13.853 11.708 1.00 10.93 C ATOM 70 CG LYS A 666 -6.183 -14.403 11.600 1.00 11.93 C ATOM 71 CD LYS A 666 -6.668 -14.418 10.160 1.00 15.34 C ATOM 72 CE LYS A 666 -8.147 -14.752 10.082 1.00 26.53 C ATOM 73 NZ LYS A 666 -8.680 -14.616 8.696 1.00 31.41 N ATOM 74 HZ1 LYS A 666 -8.551 -13.637 8.371 1.00 0.00 H ATOM 75 HZ2 LYS A 666 -8.167 -15.263 8.064 1.00 0.00 H ATOM 76 HZ3 LYS A 666 -9.692 -14.854 8.690 1.00 0.00 H ATOM 77 H LYS A 666 -3.692 -15.747 13.145 1.00 0.00 H ATOM 78 N GLU A 667 -2.076 -13.705 9.763 1.00 10.96 N ATOM 79 CA GLU A 667 -0.814 -13.038 9.472 1.00 12.26 C ATOM 80 C GLU A 667 -0.777 -11.615 10.013 1.00 12.89 C ATOM 81 O GLU A 667 0.317 -11.098 10.258 1.00 11.42 O ATOM 82 CB GLU A 667 -0.538 -13.055 7.971 1.00 12.25 C ATOM 83 CG GLU A 667 -0.097 -14.421 7.441 1.00 19.74 C ATOM 84 CD GLU A 667 0.394 -14.354 6.003 1.00 34.11 C ATOM 85 OE1 GLU A 667 -0.446 -14.406 5.078 1.00 41.59 O ATOM 86 OE2 GLU A 667 1.621 -14.230 5.801 1.00 36.20 O ATOM 87 H GLU A 667 -2.740 -13.920 8.992 1.00 0.00 H ATOM 88 N TRP A 668 -1.936 -10.984 10.223 1.00 11.82 N ATOM 89 CA TRP A 668 -1.976 -9.638 10.784 1.00 9.82 C ATOM 90 C TRP A 668 -1.822 -9.606 12.295 1.00 11.57 C ATOM 91 O TRP A 668 -1.777 -8.510 12.874 1.00 9.71 O ATOM 92 CB TRP A 668 -3.248 -8.897 10.369 1.00 11.47 C ATOM 93 CG TRP A 668 -4.579 -9.607 10.529 1.00 9.76 C ATOM 94 CD1 TRP A 668 -5.411 -9.991 9.515 1.00 13.77 C ATOM 95 CD2 TRP A 668 -5.263 -9.957 11.755 1.00 8.63 C ATOM 96 NE1 TRP A 668 -6.556 -10.563 10.023 1.00 14.73 N ATOM 97 CE2 TRP A 668 -6.488 -10.563 11.389 1.00 12.22 C ATOM 98 CE3 TRP A 668 -4.961 -9.827 13.115 1.00 8.27 C ATOM 99 CZ2 TRP A 668 -7.406 -11.021 12.327 1.00 9.78 C ATOM 100 CZ3 TRP A 668 -5.875 -10.297 14.048 1.00 11.03 C ATOM 101 CH2 TRP A 668 -7.081 -10.893 13.644 1.00 9.40 C ATOM 102 HE1 TRP A 668 -7.346 -10.935 9.458 1.00 0.00 H ATOM 103 H TRP A 668 -2.827 -11.462 9.982 1.00 0.00 H ATOM 104 N TYR A 669 -1.740 -10.759 12.944 1.00 8.87 N ATOM 105 CA TYR A 669 -1.552 -10.834 14.384 1.00 8.45 C ATOM 106 C TYR A 669 -0.079 -11.056 14.692 1.00 12.35 C ATOM 107 O TYR A 669 0.550 -11.964 14.139 1.00 11.53 O ATOM 108 CB TYR A 669 -2.395 -11.967 14.973 1.00 8.27 C ATOM 109 CG TYR A 669 -2.216 -12.131 16.456 1.00 7.94 C ATOM 110 CD1 TYR A 669 -2.552 -11.107 17.332 1.00 9.55 C ATOM 111 CD2 TYR A 669 -1.710 -13.310 16.991 1.00 7.02 C ATOM 112 CE1 TYR A 669 -2.390 -11.249 18.691 1.00 9.23 C ATOM 113 CE2 TYR A 669 -1.542 -13.461 18.340 1.00 10.72 C ATOM 114 CZ TYR A 669 -1.886 -12.429 19.192 1.00 9.98 C ATOM 115 OH TYR A 669 -1.724 -12.584 20.549 1.00 11.63 O ATOM 116 HH TYR A 669 -2.271 -13.348 20.860 1.00 0.00 H ATOM 117 H TYR A 669 -1.813 -11.644 12.402 1.00 0.00 H ATOM 118 N HIS A 670 0.472 -10.227 15.577 1.00 10.52 N ATOM 119 CA HIS A 670 1.905 -10.234 15.845 1.00 11.13 C ATOM 120 C HIS A 670 2.245 -10.613 17.276 1.00 12.83 C ATOM 121 O HIS A 670 3.400 -10.445 17.687 1.00 16.59 O ATOM 122 CB HIS A 670 2.521 -8.868 15.517 1.00 9.15 C ATOM 123 CG HIS A 670 2.513 -8.537 14.062 1.00 11.87 C ATOM 124 ND1 HIS A 670 3.669 -8.387 13.323 1.00 14.62 N ATOM 125 CD2 HIS A 670 1.490 -8.328 13.205 1.00 9.73 C ATOM 126 CE1 HIS A 670 3.352 -8.097 12.074 1.00 16.12 C ATOM 127 NE2 HIS A 670 2.035 -8.058 11.976 1.00 13.06 N ATOM 128 H HIS A 670 -0.136 -9.557 16.090 1.00 0.00 H ATOM 129 N ALA A 671 1.287 -11.136 18.035 1.00 15.55 N ATOM 130 CA ALA A 671 1.495 -11.573 19.424 1.00 12.79 C ATOM 131 C ALA A 671 2.224 -10.453 20.167 1.00 18.49 C ATOM 132 O ALA A 671 1.775 -9.302 20.100 1.00 16.73 O ATOM 133 CB ALA A 671 2.120 -12.963 19.485 1.00 13.86 C ATOM 134 H ALA A 671 0.338 -11.242 17.624 1.00 0.00 H ATOM 135 N SER A 672 3.337 -10.724 20.854 1.00 15.43 N ATOM 136 CA SER A 672 3.884 -9.781 21.829 1.00 18.09 C ATOM 137 C SER A 672 4.813 -8.727 21.219 1.00 20.64 C ATOM 138 O SER A 672 5.731 -8.250 21.899 1.00 27.16 O ATOM 139 CB SER A 672 4.569 -10.533 22.967 1.00 22.04 C ATOM 140 OG SER A 672 3.610 -11.268 23.715 1.00 27.29 O ATOM 141 HG SER A 672 3.158 -11.919 23.121 1.00 0.00 H ATOM 142 H SER A 672 3.826 -11.627 20.692 1.00 0.00 H ATOM 143 N LEU A 673 4.589 -8.344 19.965 1.00 17.70 N ATOM 144 CA LEU A 673 5.238 -7.178 19.372 1.00 14.08 C ATOM 145 C LEU A 673 5.001 -5.938 20.229 1.00 10.60 C ATOM 146 O LEU A 673 3.875 -5.675 20.658 1.00 14.38 O ATOM 147 CB LEU A 673 4.592 -6.964 18.006 1.00 14.84 C ATOM 148 CG LEU A 673 5.198 -5.955 17.041 1.00 13.44 C ATOM 149 CD1 LEU A 673 6.442 -6.557 16.399 1.00 17.21 C ATOM 150 CD2 LEU A 673 4.185 -5.557 15.976 1.00 14.11 C ATOM 151 H LEU A 673 3.926 -8.896 19.384 1.00 0.00 H ATOM 152 N THR A 674 6.058 -5.153 20.454 1.00 12.80 N ATOM 153 CA THR A 674 5.929 -3.960 21.283 1.00 12.55 C ATOM 154 C THR A 674 5.310 -2.797 20.502 1.00 10.66 C ATOM 155 O THR A 674 5.266 -2.782 19.268 1.00 12.66 O ATOM 156 CB THR A 674 7.282 -3.483 21.823 1.00 13.44 C ATOM 157 OG1 THR A 674 8.071 -2.962 20.742 1.00 13.21 O ATOM 158 CG2 THR A 674 8.033 -4.621 22.506 1.00 14.27 C ATOM 159 HG1 THR A 674 8.945 -2.654 21.091 1.00 0.00 H ATOM 160 H THR A 674 6.979 -5.394 20.035 1.00 0.00 H ATOM 161 N ARG A 675 4.844 -1.802 21.258 1.00 11.20 N ATOM 162 CA ARG A 675 4.301 -0.593 20.653 1.00 7.03 C ATOM 163 C ARG A 675 5.310 0.058 19.718 1.00 9.66 C ATOM 164 O ARG A 675 4.970 0.438 18.593 1.00 10.76 O ATOM 165 CB ARG A 675 3.898 0.376 21.759 1.00 11.70 C ATOM 166 CG ARG A 675 3.271 1.668 21.292 1.00 13.53 C ATOM 167 CD ARG A 675 3.086 2.595 22.479 1.00 18.92 C ATOM 168 NE ARG A 675 2.576 3.896 22.083 1.00 17.42 N ATOM 169 CZ ARG A 675 1.303 4.282 22.172 1.00 12.84 C ATOM 170 NH1 ARG A 675 0.356 3.477 22.653 1.00 11.90 N ATOM 171 NH2 ARG A 675 0.981 5.498 21.774 1.00 13.71 N ATOM 172 HE ARG A 675 3.258 4.581 21.699 1.00 0.00 H ATOM 173 HH12 ARG A 675 -0.628 3.808 22.710 1.00 0.00 H ATOM 174 HH11 ARG A 675 0.601 2.518 22.972 1.00 0.00 H ATOM 175 HH22 ARG A 675 -0.006 5.821 21.834 1.00 0.00 H ATOM 176 HH21 ARG A 675 1.714 6.134 21.400 1.00 0.00 H ATOM 177 H ARG A 675 4.869 -1.890 22.294 1.00 0.00 H ATOM 178 N ALA A 676 6.562 0.173 20.158 1.00 11.92 N ATOM 179 CA ALA A 676 7.583 0.778 19.312 1.00 12.62 C ATOM 180 C ALA A 676 7.824 -0.052 18.058 1.00 10.73 C ATOM 181 O ALA A 676 7.961 0.498 16.959 1.00 13.06 O ATOM 182 CB ALA A 676 8.881 0.947 20.099 1.00 13.74 C ATOM 183 H ALA A 676 6.812 -0.170 21.108 1.00 0.00 H ATOM 184 N GLN A 677 7.883 -1.382 18.200 1.00 11.49 N ATOM 185 CA GLN A 677 8.043 -2.242 17.032 1.00 9.95 C ATOM 186 C GLN A 677 6.864 -2.094 16.078 1.00 8.50 C ATOM 187 O GLN A 677 7.039 -2.091 14.855 1.00 9.92 O ATOM 188 CB GLN A 677 8.199 -3.702 17.471 1.00 11.49 C ATOM 189 CG GLN A 677 9.576 -4.030 18.042 1.00 16.22 C ATOM 190 CD GLN A 677 9.612 -5.338 18.828 1.00 14.67 C ATOM 191 OE1 GLN A 677 8.580 -5.945 19.121 1.00 16.11 O ATOM 192 NE2 GLN A 677 10.815 -5.773 19.178 1.00 21.04 N ATOM 193 HE22 GLN A 677 11.662 -5.231 18.911 1.00 0.00 H ATOM 194 HE21 GLN A 677 10.912 -6.656 19.719 1.00 0.00 H ATOM 195 H GLN A 677 7.814 -1.804 19.148 1.00 0.00 H ATOM 196 N ALA A 678 5.651 -1.943 16.620 1.00 11.08 N ATOM 197 CA ALA A 678 4.477 -1.781 15.766 1.00 10.00 C ATOM 198 C ALA A 678 4.529 -0.468 15.001 1.00 8.64 C ATOM 199 O ALA A 678 4.252 -0.430 13.798 1.00 10.19 O ATOM 200 CB ALA A 678 3.207 -1.856 16.608 1.00 9.75 C ATOM 201 H ALA A 678 5.543 -1.941 17.654 1.00 0.00 H ATOM 202 N GLU A 679 4.870 0.621 15.692 1.00 9.84 N ATOM 203 CA GLU A 679 5.002 1.904 15.011 1.00 9.04 C ATOM 204 C GLU A 679 6.085 1.841 13.948 1.00 10.04 C ATOM 205 O GLU A 679 5.917 2.382 12.853 1.00 11.04 O ATOM 206 CB GLU A 679 5.298 3.025 16.010 1.00 9.53 C ATOM 207 CG GLU A 679 4.176 3.247 17.031 1.00 8.66 C ATOM 208 CD GLU A 679 4.169 4.632 17.652 1.00 12.09 C ATOM 209 OE1 GLU A 679 3.171 4.974 18.341 1.00 11.20 O ATOM 210 OE2 GLU A 679 5.147 5.386 17.443 1.00 14.44 O ATOM 211 H GLU A 679 5.042 0.555 16.716 1.00 0.00 H ATOM 212 N HIS A 680 7.200 1.176 14.246 1.00 10.27 N ATOM 213 CA HIS A 680 8.259 1.067 13.250 1.00 10.95 C ATOM 214 C HIS A 680 7.739 0.424 11.973 1.00 12.66 C ATOM 215 O HIS A 680 8.004 0.904 10.866 1.00 14.04 O ATOM 216 CB HIS A 680 9.434 0.267 13.803 1.00 12.96 C ATOM 217 CG HIS A 680 10.663 0.369 12.959 1.00 13.37 C ATOM 218 ND1 HIS A 680 10.871 -0.427 11.857 1.00 16.10 N ATOM 219 CD2 HIS A 680 11.734 1.195 13.036 1.00 18.22 C ATOM 220 CE1 HIS A 680 12.022 -0.103 11.293 1.00 17.09 C ATOM 221 NE2 HIS A 680 12.567 0.875 11.992 1.00 22.85 N ATOM 222 H HIS A 680 7.314 0.738 15.182 1.00 0.00 H ATOM 223 N MET A 681 6.991 -0.673 12.111 1.00 11.11 N ATOM 224 CA MET A 681 6.433 -1.345 10.945 1.00 12.30 C ATOM 225 C MET A 681 5.481 -0.438 10.182 1.00 13.69 C ATOM 226 O MET A 681 5.512 -0.394 8.948 1.00 15.06 O ATOM 227 CB MET A 681 5.713 -2.613 11.380 1.00 14.54 C ATOM 228 CG MET A 681 6.654 -3.654 11.921 1.00 13.34 C ATOM 229 SD MET A 681 5.796 -5.176 12.309 1.00 19.23 S ATOM 230 CE MET A 681 6.068 -6.077 10.783 1.00 45.65 C ATOM 231 H MET A 681 6.805 -1.052 13.061 1.00 0.00 H ATOM 232 N LEU A 682 4.618 0.283 10.900 1.00 10.44 N ATOM 233 CA LEU A 682 3.657 1.168 10.253 1.00 11.51 C ATOM 234 C LEU A 682 4.320 2.377 9.600 1.00 12.95 C ATOM 235 O LEU A 682 3.721 2.985 8.704 1.00 15.31 O ATOM 236 CB LEU A 682 2.605 1.612 11.273 1.00 9.84 C ATOM 237 CG LEU A 682 1.588 0.539 11.675 1.00 11.55 C ATOM 238 CD1 LEU A 682 0.997 0.825 13.050 1.00 12.52 C ATOM 239 CD2 LEU A 682 0.483 0.466 10.634 1.00 17.21 C ATOM 240 H LEU A 682 4.631 0.213 11.938 1.00 0.00 H ATOM 241 N MET A 683 5.541 2.723 10.006 1.00 11.62 N ATOM 242 CA MET A 683 6.247 3.875 9.456 1.00 12.82 C ATOM 243 C MET A 683 7.141 3.528 8.270 1.00 19.33 C ATOM 244 O MET A 683 7.696 4.439 7.644 1.00 20.43 O ATOM 245 CB MET A 683 7.091 4.540 10.545 1.00 10.71 C ATOM 246 CG MET A 683 6.275 5.287 11.589 1.00 12.97 C ATOM 247 SD MET A 683 7.265 5.866 12.975 1.00 17.50 S ATOM 248 CE MET A 683 6.010 6.680 13.969 1.00 16.82 C ATOM 249 H MET A 683 6.007 2.152 10.740 1.00 0.00 H ATOM 250 N ARG A 684 7.289 2.250 7.930 1.00 17.60 N ATOM 251 CA ARG A 684 8.200 1.887 6.847 1.00 18.42 C ATOM 252 C ARG A 684 7.686 2.388 5.505 1.00 23.84 C ATOM 253 O ARG A 684 8.424 3.027 4.744 1.00 28.02 O ATOM 254 CB ARG A 684 8.410 0.378 6.825 1.00 21.32 C ATOM 255 CG ARG A 684 9.263 -0.091 7.979 1.00 19.73 C ATOM 256 CD ARG A 684 9.248 -1.591 8.143 1.00 18.16 C ATOM 257 NE ARG A 684 9.731 -1.957 9.471 1.00 18.73 N ATOM 258 CZ ARG A 684 9.971 -3.199 9.876 1.00 20.43 C ATOM 259 NH1 ARG A 684 9.792 -4.222 9.050 1.00 20.92 N ATOM 260 NH2 ARG A 684 10.400 -3.418 11.112 1.00 19.89 N ATOM 261 HE ARG A 684 9.900 -1.188 10.151 1.00 0.00 H ATOM 262 HH12 ARG A 684 9.982 -5.192 9.374 1.00 0.00 H ATOM 263 HH11 ARG A 684 9.462 -4.054 8.078 1.00 0.00 H ATOM 264 HH22 ARG A 684 10.589 -4.389 11.432 1.00 0.00 H ATOM 265 HH21 ARG A 684 10.547 -2.618 11.761 1.00 0.00 H ATOM 266 H ARG A 684 6.758 1.512 8.434 1.00 0.00 H ATOM 267 N VAL A 685 6.426 2.105 5.197 1.00 22.30 N ATOM 268 CA VAL A 685 5.785 2.611 3.988 1.00 20.84 C ATOM 269 C VAL A 685 4.408 3.111 4.408 1.00 16.01 C ATOM 270 O VAL A 685 3.409 2.405 4.212 1.00 17.63 O ATOM 271 CB VAL A 685 5.705 1.524 2.905 1.00 27.37 C ATOM 272 CG1 VAL A 685 5.366 2.146 1.559 1.00 32.91 C ATOM 273 CG2 VAL A 685 7.018 0.753 2.824 1.00 34.59 C ATOM 274 H VAL A 685 5.876 1.501 5.841 1.00 0.00 H ATOM 275 N PRO A 686 4.314 4.300 5.004 1.00 18.20 N ATOM 276 CA PRO A 686 3.048 4.725 5.618 1.00 15.11 C ATOM 277 C PRO A 686 1.898 4.757 4.622 1.00 20.27 C ATOM 278 O PRO A 686 2.036 5.237 3.497 1.00 19.98 O ATOM 279 CB PRO A 686 3.367 6.123 6.158 1.00 19.00 C ATOM 280 CG PRO A 686 4.846 6.126 6.350 1.00 22.80 C ATOM 281 CD PRO A 686 5.401 5.261 5.261 1.00 19.11 C ATOM 282 N ARG A 687 0.744 4.259 5.063 1.00 13.64 N ATOM 283 CA ARG A 687 -0.444 4.196 4.220 1.00 12.99 C ATOM 284 C ARG A 687 -1.665 4.196 5.124 1.00 13.29 C ATOM 285 O ARG A 687 -1.763 3.347 6.016 1.00 11.81 O ATOM 286 CB ARG A 687 -0.417 2.922 3.376 1.00 18.23 C ATOM 287 CG ARG A 687 -1.474 2.850 2.289 1.00 30.29 C ATOM 288 CD ARG A 687 -0.989 3.463 0.974 1.00 51.78 C ATOM 289 NE ARG A 687 -1.271 2.591 -0.168 1.00 64.10 N ATOM 290 CZ ARG A 687 -2.341 2.685 -0.957 1.00 40.18 C ATOM 291 NH1 ARG A 687 -3.259 3.623 -0.752 1.00 34.71 N ATOM 292 NH2 ARG A 687 -2.493 1.835 -1.964 1.00 46.35 N ATOM 293 HE ARG A 687 -0.583 1.840 -0.380 1.00 0.00 H ATOM 294 HH12 ARG A 687 -4.089 3.684 -1.376 1.00 0.00 H ATOM 295 HH11 ARG A 687 -3.148 4.297 0.033 1.00 0.00 H ATOM 296 HH22 ARG A 687 -3.326 1.905 -2.582 1.00 0.00 H ATOM 297 HH21 ARG A 687 -1.779 1.099 -2.135 1.00 0.00 H ATOM 298 H ARG A 687 0.689 3.904 6.039 1.00 0.00 H ATOM 299 N ASP A 688 -2.584 5.137 4.917 1.00 13.70 N ATOM 300 CA ASP A 688 -3.818 5.135 5.691 1.00 11.55 C ATOM 301 C ASP A 688 -4.560 3.828 5.440 1.00 14.83 C ATOM 302 O ASP A 688 -4.671 3.367 4.301 1.00 14.61 O ATOM 303 CB ASP A 688 -4.718 6.311 5.298 1.00 14.94 C ATOM 304 CG ASP A 688 -4.197 7.661 5.792 1.00 20.71 C ATOM 305 OD1 ASP A 688 -3.329 7.706 6.692 1.00 15.02 O ATOM 306 OD2 ASP A 688 -4.685 8.697 5.277 1.00 20.63 O ATOM 307 H ASP A 688 -2.421 5.874 4.202 1.00 0.00 H ATOM 308 N GLY A 689 -5.068 3.227 6.514 1.00 9.73 N ATOM 309 CA GLY A 689 -5.713 1.938 6.433 1.00 10.02 C ATOM 310 C GLY A 689 -4.826 0.769 6.800 1.00 8.66 C ATOM 311 O GLY A 689 -5.328 -0.348 6.936 1.00 10.07 O ATOM 312 H GLY A 689 -4.998 3.700 7.438 1.00 0.00 H ATOM 313 N ALA A 690 -3.524 0.991 6.961 1.00 8.12 N ATOM 314 CA ALA A 690 -2.630 -0.069 7.396 1.00 8.90 C ATOM 315 C ALA A 690 -2.853 -0.372 8.872 1.00 7.19 C ATOM 316 O ALA A 690 -3.172 0.516 9.669 1.00 7.51 O ATOM 317 CB ALA A 690 -1.176 0.337 7.179 1.00 9.99 C ATOM 318 H ALA A 690 -3.140 1.939 6.772 1.00 0.00 H ATOM 319 N PHE A 691 -2.690 -1.640 9.241 1.00 7.39 N ATOM 320 CA PHE A 691 -2.953 -2.032 10.616 1.00 6.86 C ATOM 321 C PHE A 691 -2.259 -3.345 10.932 1.00 9.74 C ATOM 322 O PHE A 691 -1.939 -4.144 10.043 1.00 8.95 O ATOM 323 CB PHE A 691 -4.456 -2.194 10.874 1.00 7.92 C ATOM 324 CG PHE A 691 -5.031 -3.457 10.291 1.00 8.37 C ATOM 325 CD1 PHE A 691 -5.389 -3.523 8.956 1.00 9.60 C ATOM 326 CD2 PHE A 691 -5.191 -4.587 11.078 1.00 9.16 C ATOM 327 CE1 PHE A 691 -5.903 -4.699 8.429 1.00 10.00 C ATOM 328 CE2 PHE A 691 -5.694 -5.754 10.557 1.00 8.78 C ATOM 329 CZ PHE A 691 -6.058 -5.814 9.240 1.00 10.50 C ATOM 330 H PHE A 691 -2.375 -2.349 8.548 1.00 0.00 H ATOM 331 N LEU A 692 -2.062 -3.563 12.228 1.00 7.76 N ATOM 332 CA LEU A 692 -1.725 -4.870 12.771 1.00 6.28 C ATOM 333 C LEU A 692 -2.388 -5.000 14.135 1.00 9.01 C ATOM 334 O LEU A 692 -2.880 -4.028 14.709 1.00 7.52 O ATOM 335 CB LEU A 692 -0.204 -5.065 12.868 1.00 8.99 C ATOM 336 CG LEU A 692 0.589 -4.077 13.726 1.00 12.66 C ATOM 337 CD1 LEU A 692 0.604 -4.455 15.216 1.00 11.16 C ATOM 338 CD2 LEU A 692 2.001 -3.979 13.174 1.00 14.63 C ATOM 339 H LEU A 692 -2.153 -2.762 12.885 1.00 0.00 H ATOM 340 N VAL A 693 -2.401 -6.218 14.657 1.00 8.27 N ATOM 341 CA VAL A 693 -2.940 -6.495 15.981 1.00 7.74 C ATOM 342 C VAL A 693 -1.825 -7.110 16.805 1.00 8.26 C ATOM 343 O VAL A 693 -1.090 -7.974 16.315 1.00 8.56 O ATOM 344 CB VAL A 693 -4.169 -7.423 15.916 1.00 10.27 C ATOM 345 CG1 VAL A 693 -4.704 -7.700 17.310 1.00 11.25 C ATOM 346 CG2 VAL A 693 -5.262 -6.807 15.049 1.00 12.55 C ATOM 347 H VAL A 693 -2.012 -7.005 14.100 1.00 0.00 H ATOM 348 N ARG A 694 -1.693 -6.655 18.051 1.00 8.67 N ATOM 349 CA ARG A 694 -0.663 -7.146 18.950 1.00 8.43 C ATOM 350 C ARG A 694 -1.256 -7.437 20.320 1.00 9.53 C ATOM 351 O ARG A 694 -2.293 -6.890 20.705 1.00 11.91 O ATOM 352 CB ARG A 694 0.516 -6.155 19.079 1.00 9.77 C ATOM 353 CG ARG A 694 0.127 -4.761 19.545 1.00 9.54 C ATOM 354 CD ARG A 694 1.272 -3.784 19.383 1.00 11.08 C ATOM 355 NE ARG A 694 0.826 -2.423 19.636 1.00 10.49 N ATOM 356 CZ ARG A 694 0.727 -1.868 20.839 1.00 9.03 C ATOM 357 NH1 ARG A 694 1.061 -2.540 21.931 1.00 10.73 N ATOM 358 NH2 ARG A 694 0.277 -0.630 20.958 1.00 9.60 N ATOM 359 HE ARG A 694 0.565 -1.841 18.814 1.00 0.00 H ATOM 360 HH12 ARG A 694 0.977 -2.090 22.865 1.00 0.00 H ATOM 361 HH11 ARG A 694 1.407 -3.518 21.854 1.00 0.00 H ATOM 362 HH22 ARG A 694 0.199 -0.193 21.899 1.00 0.00 H ATOM 363 HH21 ARG A 694 0.002 -0.093 20.111 1.00 0.00 H ATOM 364 H ARG A 694 -2.350 -5.924 18.391 1.00 0.00 H ATOM 365 N LYS A 695 -0.598 -8.338 21.045 1.00 8.84 N ATOM 366 CA LYS A 695 -0.951 -8.621 22.423 1.00 9.25 C ATOM 367 C LYS A 695 -0.235 -7.625 23.320 1.00 9.72 C ATOM 368 O LYS A 695 0.977 -7.430 23.196 1.00 12.70 O ATOM 369 CB LYS A 695 -0.537 -10.050 22.791 1.00 11.92 C ATOM 370 CG LYS A 695 -1.076 -10.521 24.136 1.00 12.84 C ATOM 371 CD LYS A 695 -0.826 -12.015 24.364 1.00 20.17 C ATOM 372 CE LYS A 695 -1.454 -12.500 25.673 1.00 39.57 C ATOM 373 NZ LYS A 695 -2.947 -12.417 25.679 1.00 44.26 N ATOM 374 HZ1 LYS A 695 -3.239 -11.429 25.538 1.00 0.00 H ATOM 375 HZ2 LYS A 695 -3.329 -13.005 24.911 1.00 0.00 H ATOM 376 HZ3 LYS A 695 -3.308 -12.760 26.592 1.00 0.00 H ATOM 377 H LYS A 695 0.193 -8.855 20.611 1.00 0.00 H ATOM 378 N ARG A 696 -0.987 -6.982 24.204 1.00 10.87 N ATOM 379 CA ARG A 696 -0.394 -6.022 25.118 1.00 10.81 C ATOM 380 C ARG A 696 0.187 -6.737 26.328 1.00 13.05 C ATOM 381 O ARG A 696 -0.107 -7.902 26.601 1.00 15.16 O ATOM 382 CB ARG A 696 -1.428 -5.000 25.586 1.00 11.47 C ATOM 383 CG ARG A 696 -1.915 -4.065 24.484 1.00 10.58 C ATOM 384 CD ARG A 696 -2.927 -3.065 24.983 1.00 9.94 C ATOM 385 NE ARG A 696 -2.356 -2.103 25.924 1.00 12.97 N ATOM 386 CZ ARG A 696 -2.875 -1.790 27.111 1.00 19.12 C ATOM 387 NH1 ARG A 696 -4.000 -2.346 27.542 1.00 24.37 N ATOM 388 NH2 ARG A 696 -2.267 -0.893 27.877 1.00 18.10 N ATOM 389 HE ARG A 696 -1.475 -1.625 25.645 1.00 0.00 H ATOM 390 HH12 ARG A 696 -4.386 -2.086 28.472 1.00 0.00 H ATOM 391 HH11 ARG A 696 -4.496 -3.042 26.950 1.00 0.00 H ATOM 392 HH22 ARG A 696 -2.667 -0.644 28.804 1.00 0.00 H ATOM 393 HH21 ARG A 696 -1.391 -0.439 27.550 1.00 0.00 H ATOM 394 H ARG A 696 -2.010 -7.167 24.243 1.00 0.00 H ATOM 395 N ASN A 697 1.017 -6.006 27.072 1.00 12.12 N ATOM 396 CA ASN A 697 1.651 -6.520 28.278 1.00 15.18 C ATOM 397 C ASN A 697 0.761 -6.371 29.506 1.00 19.23 C ATOM 398 O ASN A 697 1.264 -6.142 30.614 1.00 28.24 O ATOM 399 CB ASN A 697 2.998 -5.826 28.486 1.00 20.28 C ATOM 400 CG ASN A 697 3.898 -6.571 29.446 1.00 27.48 C ATOM 401 OD1 ASN A 697 3.724 -7.767 29.677 1.00 27.61 O ATOM 402 ND2 ASN A 697 4.870 -5.866 30.012 1.00 26.00 N ATOM 403 HD22 ASN A 697 4.979 -4.857 29.787 1.00 0.00 H ATOM 404 HD21 ASN A 697 5.522 -6.323 30.681 1.00 0.00 H ATOM 405 H ASN A 697 1.220 -5.029 26.779 1.00 0.00 H ATOM 406 N GLU A 698 -0.548 -6.469 29.328 1.00 16.25 N ATOM 407 CA GLU A 698 -1.532 -6.454 30.396 1.00 21.19 C ATOM 408 C GLU A 698 -2.377 -7.694 30.172 1.00 24.19 C ATOM 409 O GLU A 698 -2.479 -8.183 29.042 1.00 18.80 O ATOM 410 CB GLU A 698 -2.449 -5.225 30.303 1.00 22.75 C ATOM 411 CG GLU A 698 -1.737 -3.884 30.150 1.00 36.63 C ATOM 412 CD GLU A 698 -1.425 -3.223 31.477 1.00 37.76 C ATOM 413 OE1 GLU A 698 -2.094 -3.543 32.482 1.00 30.12 O ATOM 414 OE2 GLU A 698 -0.509 -2.375 31.510 1.00 36.75 O ATOM 415 H GLU A 698 -0.896 -6.564 28.353 1.00 0.00 H ATOM 416 N PRO A 699 -3.000 -8.224 31.218 1.00 30.64 N ATOM 417 CA PRO A 699 -3.780 -9.453 31.043 1.00 22.87 C ATOM 418 C PRO A 699 -4.995 -9.215 30.162 1.00 18.13 C ATOM 419 O PRO A 699 -5.694 -8.209 30.295 1.00 21.62 O ATOM 420 CB PRO A 699 -4.196 -9.819 32.474 1.00 33.63 C ATOM 421 CG PRO A 699 -3.321 -8.985 33.368 1.00 34.22 C ATOM 422 CD PRO A 699 -3.051 -7.738 32.606 1.00 32.40 C ATOM 423 N ASN A 700 -5.243 -10.155 29.255 1.00 17.27 N ATOM 424 CA ASN A 700 -6.482 -10.156 28.479 1.00 20.71 C ATOM 425 C ASN A 700 -6.642 -8.854 27.703 1.00 19.56 C ATOM 426 O ASN A 700 -7.718 -8.250 27.685 1.00 19.83 O ATOM 427 CB ASN A 700 -7.689 -10.387 29.389 1.00 25.47 C ATOM 428 CG ASN A 700 -7.672 -11.750 30.044 1.00 27.62 C ATOM 429 OD1 ASN A 700 -7.470 -12.765 29.379 1.00 32.45 O ATOM 430 ND2 ASN A 700 -7.874 -11.779 31.357 1.00 40.43 N ATOM 431 HD22 ASN A 700 -8.041 -10.894 31.877 1.00 0.00 H ATOM 432 HD21 ASN A 700 -7.865 -12.687 31.865 1.00 0.00 H ATOM 433 H ASN A 700 -4.541 -10.905 29.094 1.00 0.00 H ATOM 434 N SER A 701 -5.560 -8.403 27.074 1.00 13.62 N ATOM 435 CA SER A 701 -5.557 -7.105 26.418 1.00 12.87 C ATOM 436 C SER A 701 -4.779 -7.163 25.115 1.00 9.46 C ATOM 437 O SER A 701 -3.675 -7.715 25.053 1.00 10.92 O ATOM 438 CB SER A 701 -4.912 -6.036 27.297 1.00 15.01 C ATOM 439 OG SER A 701 -5.087 -4.757 26.709 1.00 20.75 O ATOM 440 HG SER A 701 -6.054 -4.566 26.619 1.00 0.00 H ATOM 441 H SER A 701 -4.701 -8.989 27.051 1.00 0.00 H ATOM 442 N TYR A 702 -5.351 -6.545 24.087 1.00 10.33 N ATOM 443 CA TYR A 702 -4.744 -6.446 22.772 1.00 8.54 C ATOM 444 C TYR A 702 -4.788 -4.994 22.321 1.00 7.41 C ATOM 445 O TYR A 702 -5.487 -4.162 22.901 1.00 9.16 O ATOM 446 CB TYR A 702 -5.505 -7.318 21.769 1.00 10.78 C ATOM 447 CG TYR A 702 -5.508 -8.781 22.140 1.00 14.26 C ATOM 448 CD1 TYR A 702 -6.424 -9.289 23.044 1.00 16.16 C ATOM 449 CD2 TYR A 702 -4.575 -9.641 21.602 1.00 10.69 C ATOM 450 CE1 TYR A 702 -6.411 -10.628 23.389 1.00 17.53 C ATOM 451 CE2 TYR A 702 -4.551 -10.977 21.937 1.00 16.56 C ATOM 452 CZ TYR A 702 -5.468 -11.465 22.827 1.00 23.99 C ATOM 453 OH TYR A 702 -5.436 -12.802 23.157 1.00 28.01 O ATOM 454 HH TYR A 702 -5.569 -13.346 22.340 1.00 0.00 H ATOM 455 H TYR A 702 -6.284 -6.109 24.232 1.00 0.00 H ATOM 456 N ALA A 703 -4.021 -4.700 21.277 1.00 8.43 N ATOM 457 CA ALA A 703 -4.068 -3.390 20.643 1.00 7.77 C ATOM 458 C ALA A 703 -4.137 -3.562 19.135 1.00 9.09 C ATOM 459 O ALA A 703 -3.453 -4.417 18.566 1.00 10.29 O ATOM 460 CB ALA A 703 -2.843 -2.534 20.979 1.00 10.39 C ATOM 461 H ALA A 703 -3.372 -5.422 20.904 1.00 0.00 H ATOM 462 N ILE A 704 -4.968 -2.746 18.494 1.00 7.37 N ATOM 463 CA ILE A 704 -4.894 -2.525 17.054 1.00 7.10 C ATOM 464 C ILE A 704 -4.023 -1.300 16.862 1.00 8.80 C ATOM 465 O ILE A 704 -4.331 -0.226 17.383 1.00 7.73 O ATOM 466 CB ILE A 704 -6.285 -2.292 16.448 1.00 7.35 C ATOM 467 CG1 ILE A 704 -7.266 -3.386 16.868 1.00 9.57 C ATOM 468 CG2 ILE A 704 -6.174 -2.221 14.929 1.00 9.94 C ATOM 469 CD1 ILE A 704 -8.675 -3.123 16.424 1.00 10.91 C ATOM 470 H ILE A 704 -5.699 -2.246 19.040 1.00 0.00 H ATOM 471 N SER A 705 -2.929 -1.456 16.138 1.00 7.15 N ATOM 472 CA SER A 705 -2.041 -0.352 15.804 1.00 6.43 C ATOM 473 C SER A 705 -2.247 -0.053 14.329 1.00 6.98 C ATOM 474 O SER A 705 -2.191 -0.960 13.502 1.00 8.12 O ATOM 475 CB SER A 705 -0.581 -0.727 16.077 1.00 9.24 C ATOM 476 OG SER A 705 -0.371 -0.985 17.456 1.00 9.02 O ATOM 477 HG SER A 705 -0.594 -0.175 17.980 1.00 0.00 H ATOM 478 H SER A 705 -2.692 -2.408 15.792 1.00 0.00 H ATOM 479 N PHE A 706 -2.516 1.201 13.992 1.00 6.83 N ATOM 480 CA PHE A 706 -2.985 1.495 12.647 1.00 7.44 C ATOM 481 C PHE A 706 -2.615 2.917 12.254 1.00 8.04 C ATOM 482 O PHE A 706 -2.191 3.736 13.076 1.00 7.30 O ATOM 483 CB PHE A 706 -4.501 1.280 12.547 1.00 8.01 C ATOM 484 CG PHE A 706 -5.302 2.164 13.461 1.00 7.56 C ATOM 485 CD1 PHE A 706 -5.514 1.811 14.785 1.00 8.42 C ATOM 486 CD2 PHE A 706 -5.849 3.354 12.999 1.00 9.55 C ATOM 487 CE1 PHE A 706 -6.261 2.631 15.629 1.00 11.84 C ATOM 488 CE2 PHE A 706 -6.596 4.164 13.832 1.00 11.56 C ATOM 489 CZ PHE A 706 -6.804 3.803 15.148 1.00 14.00 C ATOM 490 H PHE A 706 -2.393 1.968 14.684 1.00 0.00 H ATOM 491 N ARG A 707 -2.766 3.196 10.964 1.00 8.18 N ATOM 492 CA ARG A 707 -2.582 4.537 10.433 1.00 8.70 C ATOM 493 C ARG A 707 -3.907 5.044 9.889 1.00 10.61 C ATOM 494 O ARG A 707 -4.552 4.382 9.068 1.00 11.30 O ATOM 495 CB ARG A 707 -1.508 4.584 9.342 1.00 8.72 C ATOM 496 CG ARG A 707 -1.119 6.014 8.942 1.00 13.64 C ATOM 497 CD ARG A 707 0.027 5.985 7.954 1.00 14.11 C ATOM 498 NE ARG A 707 0.642 7.293 7.708 1.00 15.00 N ATOM 499 CZ ARG A 707 0.395 8.062 6.652 1.00 15.88 C ATOM 500 NH1 ARG A 707 -0.494 7.700 5.737 1.00 16.44 N ATOM 501 NH2 ARG A 707 1.039 9.213 6.514 1.00 17.73 N ATOM 502 HE ARG A 707 1.322 7.645 8.412 1.00 0.00 H ATOM 503 HH12 ARG A 707 -0.675 8.313 4.917 1.00 0.00 H ATOM 504 HH11 ARG A 707 -1.010 6.803 5.840 1.00 0.00 H ATOM 505 HH22 ARG A 707 0.850 9.819 5.690 1.00 0.00 H ATOM 506 HH21 ARG A 707 1.733 9.510 7.230 1.00 0.00 H ATOM 507 H ARG A 707 -3.025 2.429 10.311 1.00 0.00 H ATOM 508 N ALA A 708 -4.309 6.219 10.357 1.00 9.54 N ATOM 509 CA ALA A 708 -5.550 6.848 9.939 1.00 9.36 C ATOM 510 C ALA A 708 -5.298 8.339 9.807 1.00 10.81 C ATOM 511 O ALA A 708 -4.701 8.956 10.695 1.00 11.46 O ATOM 512 CB ALA A 708 -6.669 6.601 10.960 1.00 9.68 C ATOM 513 H ALA A 708 -3.711 6.710 11.052 1.00 0.00 H ATOM 514 N GLU A 709 -5.745 8.904 8.692 1.00 12.95 N ATOM 515 CA GLU A 709 -5.641 10.346 8.455 1.00 14.29 C ATOM 516 C GLU A 709 -4.235 10.867 8.748 1.00 11.69 C ATOM 517 O GLU A 709 -4.054 11.920 9.364 1.00 13.89 O ATOM 518 CB GLU A 709 -6.695 11.119 9.247 1.00 16.29 C ATOM 519 CG GLU A 709 -8.133 10.700 8.935 1.00 21.78 C ATOM 520 CD GLU A 709 -8.491 10.879 7.472 1.00 65.15 C ATOM 521 OE1 GLU A 709 -8.058 11.885 6.870 1.00 61.05 O ATOM 522 OE2 GLU A 709 -9.200 10.010 6.922 1.00 54.23 O ATOM 523 H GLU A 709 -6.183 8.304 7.964 1.00 0.00 H ATOM 524 N GLY A 710 -3.226 10.122 8.300 1.00 11.18 N ATOM 525 CA GLY A 710 -1.860 10.598 8.356 1.00 11.99 C ATOM 526 C GLY A 710 -1.157 10.443 9.684 1.00 11.59 C ATOM 527 O GLY A 710 -0.042 10.957 9.840 1.00 12.04 O ATOM 528 H GLY A 710 -3.423 9.181 7.903 1.00 0.00 H ATOM 529 N LYS A 711 -1.759 9.751 10.646 1.00 10.24 N ATOM 530 CA LYS A 711 -1.121 9.547 11.933 1.00 10.51 C ATOM 531 C LYS A 711 -1.245 8.094 12.360 1.00 8.14 C ATOM 532 O LYS A 711 -2.112 7.352 11.895 1.00 10.25 O ATOM 533 CB LYS A 711 -1.701 10.452 13.013 1.00 11.11 C ATOM 534 CG LYS A 711 -1.347 11.918 12.833 1.00 13.30 C ATOM 535 CD LYS A 711 -1.601 12.727 14.089 1.00 16.87 C ATOM 536 CE LYS A 711 -0.596 12.418 15.192 1.00 12.58 C ATOM 537 NZ LYS A 711 -0.929 13.149 16.437 1.00 14.80 N ATOM 538 HZ1 LYS A 711 -0.916 14.172 16.251 1.00 0.00 H ATOM 539 HZ2 LYS A 711 -1.876 12.867 16.761 1.00 0.00 H ATOM 540 HZ3 LYS A 711 -0.228 12.920 17.170 1.00 0.00 H ATOM 541 H LYS A 711 -2.703 9.349 10.473 1.00 0.00 H ATOM 542 N ILE A 712 -0.351 7.705 13.253 1.00 8.88 N ATOM 543 CA ILE A 712 -0.292 6.344 13.769 1.00 8.96 C ATOM 544 C ILE A 712 -0.928 6.333 15.145 1.00 10.59 C ATOM 545 O ILE A 712 -0.558 7.129 16.022 1.00 12.06 O ATOM 546 CB ILE A 712 1.155 5.842 13.795 1.00 10.94 C ATOM 547 CG1 ILE A 712 1.613 5.638 12.351 1.00 14.24 C ATOM 548 CG2 ILE A 712 1.265 4.531 14.582 1.00 13.47 C ATOM 549 CD1 ILE A 712 3.079 5.391 12.191 1.00 18.53 C ATOM 550 H ILE A 712 0.339 8.400 13.602 1.00 0.00 H ATOM 551 N LYS A 713 -1.896 5.442 15.325 1.00 9.05 N ATOM 552 CA LYS A 713 -2.708 5.401 16.524 1.00 8.39 C ATOM 553 C LYS A 713 -2.853 3.970 17.005 1.00 6.87 C ATOM 554 O LYS A 713 -2.566 3.017 16.282 1.00 8.33 O ATOM 555 CB LYS A 713 -4.083 6.027 16.277 1.00 14.02 C ATOM 556 CG LYS A 713 -3.985 7.507 15.901 1.00 19.65 C ATOM 557 CD LYS A 713 -5.178 8.315 16.378 1.00 21.63 C ATOM 558 CE LYS A 713 -4.823 9.793 16.516 1.00 18.91 C ATOM 559 NZ LYS A 713 -4.362 10.365 15.234 1.00 30.19 N ATOM 560 HZ1 LYS A 713 -3.516 9.853 14.911 1.00 0.00 H ATOM 561 HZ2 LYS A 713 -5.116 10.273 14.524 1.00 0.00 H ATOM 562 HZ3 LYS A 713 -4.130 11.370 15.368 1.00 0.00 H ATOM 563 H LYS A 713 -2.079 4.745 14.575 1.00 0.00 H ATOM 564 N HIS A 714 -3.289 3.837 18.251 1.00 7.39 N ATOM 565 CA HIS A 714 -3.425 2.538 18.893 1.00 7.39 C ATOM 566 C HIS A 714 -4.728 2.485 19.674 1.00 9.02 C ATOM 567 O HIS A 714 -5.001 3.369 20.490 1.00 9.93 O ATOM 568 CB HIS A 714 -2.261 2.298 19.858 1.00 7.68 C ATOM 569 CG HIS A 714 -0.916 2.516 19.251 1.00 8.02 C ATOM 570 ND1 HIS A 714 -0.164 1.501 18.695 1.00 8.20 N ATOM 571 CD2 HIS A 714 -0.180 3.643 19.127 1.00 10.84 C ATOM 572 CE1 HIS A 714 0.973 2.000 18.243 1.00 9.89 C ATOM 573 NE2 HIS A 714 0.992 3.296 18.503 1.00 10.10 N ATOM 574 H HIS A 714 -3.542 4.691 18.788 1.00 0.00 H ATOM 575 N CYS A 715 -5.489 1.414 19.464 1.00 8.62 N ATOM 576 CA CYS A 715 -6.790 1.213 20.086 1.00 8.56 C ATOM 577 C CYS A 715 -6.753 -0.056 20.930 1.00 10.22 C ATOM 578 O CYS A 715 -6.373 -1.122 20.434 1.00 10.46 O ATOM 579 CB CYS A 715 -7.861 1.075 19.003 1.00 13.64 C ATOM 580 SG CYS A 715 -9.546 1.025 19.621 1.00 13.57 S ATOM 581 H CYS A 715 -5.135 0.679 18.819 1.00 0.00 H ATOM 582 N ARG A 716 -7.153 0.054 22.196 1.00 10.33 N ATOM 583 CA ARG A 716 -7.139 -1.095 23.089 1.00 9.76 C ATOM 584 C ARG A 716 -8.364 -1.974 22.870 1.00 12.67 C ATOM 585 O ARG A 716 -9.469 -1.476 22.637 1.00 13.68 O ATOM 586 CB ARG A 716 -7.127 -0.605 24.534 1.00 12.76 C ATOM 587 CG ARG A 716 -5.828 0.073 24.927 1.00 14.34 C ATOM 588 CD ARG A 716 -5.991 0.964 26.149 1.00 18.73 C ATOM 589 NE ARG A 716 -6.803 2.133 25.825 1.00 21.01 N ATOM 590 CZ ARG A 716 -7.084 3.118 26.670 1.00 28.16 C ATOM 591 NH1 ARG A 716 -6.622 3.088 27.910 1.00 30.93 N ATOM 592 NH2 ARG A 716 -7.830 4.136 26.267 1.00 24.68 N ATOM 593 HE ARG A 716 -7.190 2.199 24.862 1.00 0.00 H ATOM 594 HH12 ARG A 716 -6.846 3.862 28.567 1.00 0.00 H ATOM 595 HH11 ARG A 716 -6.035 2.290 28.227 1.00 0.00 H ATOM 596 HH22 ARG A 716 -8.053 4.910 26.925 1.00 0.00 H ATOM 597 HH21 ARG A 716 -8.193 4.161 25.293 1.00 0.00 H ATOM 598 H ARG A 716 -7.480 0.975 22.552 1.00 0.00 H ATOM 599 N VAL A 717 -8.156 -3.292 22.947 1.00 10.21 N ATOM 600 CA VAL A 717 -9.218 -4.290 22.880 1.00 10.85 C ATOM 601 C VAL A 717 -9.088 -5.184 24.106 1.00 10.05 C ATOM 602 O VAL A 717 -7.992 -5.664 24.413 1.00 13.34 O ATOM 603 CB VAL A 717 -9.122 -5.126 21.587 1.00 10.36 C ATOM 604 CG1 VAL A 717 -10.203 -6.219 21.543 1.00 11.46 C ATOM 605 CG2 VAL A 717 -9.238 -4.224 20.365 1.00 14.47 C ATOM 606 H VAL A 717 -7.178 -3.626 23.062 1.00 0.00 H ATOM 607 N GLN A 718 -10.196 -5.420 24.798 1.00 12.65 N ATOM 608 CA GLN A 718 -10.181 -6.198 26.030 1.00 16.89 C ATOM 609 C GLN A 718 -10.881 -7.531 25.815 1.00 15.21 C ATOM 610 O GLN A 718 -12.017 -7.568 25.335 1.00 15.78 O ATOM 611 CB GLN A 718 -10.868 -5.434 27.161 1.00 16.20 C ATOM 612 CG GLN A 718 -10.756 -6.116 28.516 1.00 24.75 C ATOM 613 CD GLN A 718 -9.318 -6.286 28.969 1.00 29.29 C ATOM 614 OE1 GLN A 718 -8.472 -5.422 28.733 1.00 24.65 O ATOM 615 NE2 GLN A 718 -9.031 -7.409 29.614 1.00 22.27 N ATOM 616 HE22 GLN A 718 -9.777 -8.112 29.792 1.00 0.00 H ATOM 617 HE21 GLN A 718 -8.060 -7.587 29.942 1.00 0.00 H ATOM 618 H GLN A 718 -11.100 -5.039 24.451 1.00 0.00 H ATOM 619 N GLN A 719 -10.206 -8.618 26.188 1.00 19.82 N ATOM 620 CA GLN A 719 -10.794 -9.952 26.165 1.00 18.40 C ATOM 621 C GLN A 719 -11.503 -10.149 27.500 1.00 22.37 C ATOM 622 O GLN A 719 -10.875 -10.061 28.561 1.00 26.55 O ATOM 623 CB GLN A 719 -9.707 -11.005 25.955 1.00 19.95 C ATOM 624 CG GLN A 719 -10.190 -12.466 25.946 1.00 27.49 C ATOM 625 CD GLN A 719 -10.655 -12.940 24.578 1.00 45.15 C ATOM 626 OE1 GLN A 719 -9.981 -12.726 23.568 1.00 35.25 O ATOM 627 NE2 GLN A 719 -11.808 -13.603 24.541 1.00 30.56 N ATOM 628 HE22 GLN A 719 -12.345 -13.761 25.417 1.00 0.00 H ATOM 629 HE21 GLN A 719 -12.172 -13.963 23.636 1.00 0.00 H ATOM 630 H GLN A 719 -9.222 -8.511 26.508 1.00 0.00 H ATOM 631 N GLU A 720 -12.815 -10.381 27.445 1.00 25.01 N ATOM 632 CA GLU A 720 -13.670 -10.464 28.628 1.00 33.98 C ATOM 633 C GLU A 720 -14.367 -11.817 28.562 1.00 25.94 C ATOM 634 O GLU A 720 -15.314 -11.989 27.791 1.00 25.89 O ATOM 635 CB GLU A 720 -14.705 -9.342 28.629 1.00 37.27 C ATOM 636 CG GLU A 720 -14.148 -7.931 28.492 1.00 36.44 C ATOM 637 CD GLU A 720 -13.785 -7.299 29.825 1.00 69.49 C ATOM 638 OE1 GLU A 720 -13.879 -7.983 30.867 1.00 72.88 O ATOM 639 OE2 GLU A 720 -13.412 -6.107 29.829 1.00 51.22 O ATOM 640 H GLU A 720 -13.253 -10.510 26.511 1.00 0.00 H ATOM 641 N GLY A 721 -13.921 -12.767 29.366 1.00 32.23 N ATOM 642 CA GLY A 721 -14.489 -14.100 29.273 1.00 30.89 C ATOM 643 C GLY A 721 -14.286 -14.648 27.876 1.00 23.86 C ATOM 644 O GLY A 721 -13.151 -14.808 27.409 1.00 38.16 O ATOM 645 H GLY A 721 -13.172 -12.562 30.057 1.00 0.00 H ATOM 646 N GLN A 722 -15.386 -14.921 27.175 1.00 25.35 N ATOM 647 CA GLN A 722 -15.325 -15.535 25.853 1.00 28.42 C ATOM 648 C GLN A 722 -15.350 -14.527 24.714 1.00 20.99 C ATOM 649 O GLN A 722 -15.184 -14.930 23.560 1.00 23.71 O ATOM 650 CB GLN A 722 -16.498 -16.502 25.652 1.00 26.75 C ATOM 651 CG GLN A 722 -16.746 -17.432 26.817 1.00 33.82 C ATOM 652 CD GLN A 722 -15.463 -17.970 27.398 1.00 36.89 C ATOM 653 OE1 GLN A 722 -14.576 -18.420 26.669 1.00 43.81 O ATOM 654 NE2 GLN A 722 -15.346 -17.910 28.716 1.00 32.37 N ATOM 655 HE22 GLN A 722 -16.122 -17.522 29.290 1.00 0.00 H ATOM 656 HE21 GLN A 722 -14.478 -18.251 29.177 1.00 0.00 H ATOM 657 H GLN A 722 -16.315 -14.690 27.582 1.00 0.00 H ATOM 658 N THR A 723 -15.563 -13.247 24.997 1.00 15.89 N ATOM 659 CA THR A 723 -15.758 -12.243 23.959 1.00 16.66 C ATOM 660 C THR A 723 -14.666 -11.186 24.058 1.00 19.30 C ATOM 661 O THR A 723 -13.828 -11.205 24.962 1.00 18.30 O ATOM 662 CB THR A 723 -17.147 -11.599 24.072 1.00 19.04 C ATOM 663 OG1 THR A 723 -17.316 -11.033 25.378 1.00 21.45 O ATOM 664 CG2 THR A 723 -18.248 -12.624 23.819 1.00 28.79 C ATOM 665 HG1 THR A 723 -18.213 -10.620 25.444 1.00 0.00 H ATOM 666 H THR A 723 -15.592 -12.951 25.994 1.00 0.00 H ATOM 667 N VAL A 724 -14.680 -10.262 23.100 1.00 12.44 N ATOM 668 CA VAL A 724 -13.774 -9.123 23.102 1.00 12.76 C ATOM 669 C VAL A 724 -14.594 -7.847 23.016 1.00 10.71 C ATOM 670 O VAL A 724 -15.701 -7.834 22.470 1.00 12.02 O ATOM 671 CB VAL A 724 -12.719 -9.176 21.973 1.00 10.98 C ATOM 672 CG1 VAL A 724 -11.772 -10.357 22.174 1.00 16.14 C ATOM 673 CG2 VAL A 724 -13.381 -9.225 20.603 1.00 16.51 C ATOM 674 H VAL A 724 -15.363 -10.357 22.322 1.00 0.00 H ATOM 675 N MET A 725 -14.028 -6.765 23.545 1.00 9.99 N ATOM 676 CA MET A 725 -14.688 -5.469 23.605 1.00 14.56 C ATOM 677 C MET A 725 -13.760 -4.399 23.058 1.00 11.16 C ATOM 678 O MET A 725 -12.591 -4.333 23.448 1.00 13.36 O ATOM 679 CB MET A 725 -14.971 -5.092 25.061 1.00 16.84 C ATOM 680 CG MET A 725 -15.911 -6.004 25.816 1.00 22.37 C ATOM 681 SD MET A 725 -17.604 -5.967 25.207 1.00 26.04 S ATOM 682 CE MET A 725 -17.908 -4.212 25.050 1.00 18.88 C ATOM 683 H MET A 725 -13.067 -6.849 23.934 1.00 0.00 H ATOM 684 N LEU A 726 -14.284 -3.566 22.173 1.00 12.50 N ATOM 685 CA LEU A 726 -13.605 -2.361 21.717 1.00 13.11 C ATOM 686 C LEU A 726 -14.545 -1.223 22.065 1.00 17.67 C ATOM 687 O LEU A 726 -15.634 -1.116 21.492 1.00 16.84 O ATOM 688 CB LEU A 726 -13.342 -2.402 20.216 1.00 12.25 C ATOM 689 CG LEU A 726 -12.443 -1.284 19.687 1.00 20.77 C ATOM 690 CD1 LEU A 726 -11.727 -1.745 18.432 1.00 27.08 C ATOM 691 CD2 LEU A 726 -13.244 -0.022 19.404 1.00 23.21 C ATOM 692 H LEU A 726 -15.224 -3.782 21.785 1.00 0.00 H ATOM 693 N GLY A 727 -14.140 -0.387 23.008 1.00 19.18 N ATOM 694 CA GLY A 727 -15.076 0.594 23.524 1.00 15.51 C ATOM 695 C GLY A 727 -16.270 -0.118 24.127 1.00 18.73 C ATOM 696 O GLY A 727 -16.134 -0.982 25.002 1.00 24.17 O ATOM 697 H GLY A 727 -13.167 -0.433 23.373 1.00 0.00 H ATOM 698 N ASN A 728 -17.460 0.231 23.643 1.00 22.00 N ATOM 699 CA ASN A 728 -18.701 -0.391 24.084 1.00 21.79 C ATOM 700 C ASN A 728 -19.150 -1.524 23.173 1.00 19.72 C ATOM 701 O ASN A 728 -20.212 -2.111 23.416 1.00 24.21 O ATOM 702 CB ASN A 728 -19.821 0.654 24.158 1.00 46.41 C ATOM 703 CG ASN A 728 -19.654 1.612 25.318 1.00 49.55 C ATOM 704 OD1 ASN A 728 -19.148 1.243 26.377 1.00 46.41 O ATOM 705 ND2 ASN A 728 -20.086 2.853 25.124 1.00 63.86 N ATOM 706 HD22 ASN A 728 -20.507 3.120 24.212 1.00 0.00 H ATOM 707 HD21 ASN A 728 -20.003 3.557 25.885 1.00 0.00 H ATOM 708 H ASN A 728 -17.505 0.978 22.921 1.00 0.00 H ATOM 709 N SER A 729 -18.377 -1.848 22.141 1.00 17.25 N ATOM 710 CA SER A 729 -18.792 -2.810 21.125 1.00 15.69 C ATOM 711 C SER A 729 -18.210 -4.181 21.434 1.00 16.93 C ATOM 712 O SER A 729 -16.990 -4.335 21.535 1.00 16.56 O ATOM 713 CB SER A 729 -18.350 -2.360 19.737 1.00 15.79 C ATOM 714 OG SER A 729 -19.008 -1.159 19.375 1.00 19.43 O ATOM 715 HG SER A 729 -19.987 -1.309 19.370 1.00 0.00 H ATOM 716 H SER A 729 -17.443 -1.400 22.055 1.00 0.00 H ATOM 717 N GLU A 730 -19.082 -5.176 21.536 1.00 16.76 N ATOM 718 CA GLU A 730 -18.686 -6.541 21.845 1.00 16.34 C ATOM 719 C GLU A 730 -18.691 -7.400 20.587 1.00 16.75 C ATOM 720 O GLU A 730 -19.546 -7.237 19.710 1.00 17.60 O ATOM 721 CB GLU A 730 -19.651 -7.140 22.864 1.00 16.18 C ATOM 722 CG GLU A 730 -19.187 -8.436 23.472 1.00 19.12 C ATOM 723 CD GLU A 730 -20.090 -8.898 24.598 1.00 38.62 C ATOM 724 OE1 GLU A 730 -21.208 -8.355 24.732 1.00 42.33 O ATOM 725 OE2 GLU A 730 -19.676 -9.799 25.354 1.00 32.74 O ATOM 726 H GLU A 730 -20.091 -4.971 21.389 1.00 0.00 H ATOM 727 N PHE A 731 -17.729 -8.322 20.512 1.00 11.30 N ATOM 728 CA PHE A 731 -17.606 -9.271 19.413 1.00 12.07 C ATOM 729 C PHE A 731 -17.261 -10.645 19.972 1.00 12.79 C ATOM 730 O PHE A 731 -16.727 -10.769 21.074 1.00 12.22 O ATOM 731 CB PHE A 731 -16.508 -8.847 18.422 1.00 14.36 C ATOM 732 CG PHE A 731 -16.732 -7.493 17.817 1.00 11.41 C ATOM 733 CD1 PHE A 731 -16.260 -6.350 18.445 1.00 13.89 C ATOM 734 CD2 PHE A 731 -17.440 -7.363 16.631 1.00 14.59 C ATOM 735 CE1 PHE A 731 -16.484 -5.100 17.891 1.00 14.18 C ATOM 736 CE2 PHE A 731 -17.660 -6.121 16.076 1.00 15.02 C ATOM 737 CZ PHE A 731 -17.187 -4.993 16.702 1.00 15.40 C ATOM 738 H PHE A 731 -17.029 -8.366 21.280 1.00 0.00 H ATOM 739 N ASP A 732 -17.560 -11.692 19.197 1.00 12.91 N ATOM 740 CA ASP A 732 -17.287 -13.042 19.678 1.00 14.07 C ATOM 741 C ASP A 732 -15.794 -13.303 19.809 1.00 13.58 C ATOM 742 O ASP A 732 -15.383 -14.133 20.625 1.00 15.58 O ATOM 743 CB ASP A 732 -17.882 -14.084 18.734 1.00 16.13 C ATOM 744 CG ASP A 732 -19.375 -14.248 18.900 1.00 24.32 C ATOM 745 OD1 ASP A 732 -19.937 -13.679 19.858 1.00 24.81 O ATOM 746 OD2 ASP A 732 -19.981 -14.966 18.073 1.00 21.85 O ATOM 747 H ASP A 732 -17.984 -11.546 18.259 1.00 0.00 H ATOM 748 N SER A 733 -14.972 -12.630 19.014 1.00 12.45 N ATOM 749 CA SER A 733 -13.559 -12.972 18.941 1.00 11.81 C ATOM 750 C SER A 733 -12.825 -11.849 18.227 1.00 10.06 C ATOM 751 O SER A 733 -13.432 -10.993 17.581 1.00 11.02 O ATOM 752 CB SER A 733 -13.362 -14.255 18.142 1.00 13.08 C ATOM 753 OG SER A 733 -13.723 -14.025 16.798 1.00 13.76 O ATOM 754 HG SER A 733 -13.596 -14.857 16.276 1.00 0.00 H ATOM 755 H SER A 733 -15.342 -11.849 18.436 1.00 0.00 H ATOM 756 N LEU A 734 -11.495 -11.868 18.346 1.00 10.38 N ATOM 757 CA LEU A 734 -10.683 -10.884 17.634 1.00 9.49 C ATOM 758 C LEU A 734 -10.857 -10.996 16.125 1.00 11.76 C ATOM 759 O LEU A 734 -10.895 -9.981 15.425 1.00 10.05 O ATOM 760 CB LEU A 734 -9.208 -11.030 18.006 1.00 11.99 C ATOM 761 CG LEU A 734 -8.801 -10.546 19.394 1.00 9.10 C ATOM 762 CD1 LEU A 734 -7.368 -10.966 19.679 1.00 11.38 C ATOM 763 CD2 LEU A 734 -8.960 -9.032 19.515 1.00 10.19 C ATOM 764 H LEU A 734 -11.037 -12.584 18.946 1.00 0.00 H ATOM 765 N VAL A 735 -10.948 -12.216 15.591 1.00 10.16 N ATOM 766 CA VAL A 735 -11.116 -12.344 14.145 1.00 9.33 C ATOM 767 C VAL A 735 -12.426 -11.700 13.704 1.00 10.65 C ATOM 768 O VAL A 735 -12.483 -11.038 12.662 1.00 11.93 O ATOM 769 CB VAL A 735 -10.978 -13.804 13.663 1.00 13.98 C ATOM 770 CG1 VAL A 735 -9.546 -14.301 13.839 1.00 12.10 C ATOM 771 CG2 VAL A 735 -11.952 -14.724 14.371 1.00 16.36 C ATOM 772 H VAL A 735 -10.900 -13.062 16.194 1.00 0.00 H ATOM 773 N ASP A 736 -13.489 -11.860 14.499 1.00 9.99 N ATOM 774 CA ASP A 736 -14.771 -11.252 14.149 1.00 11.90 C ATOM 775 C ASP A 736 -14.701 -9.732 14.241 1.00 11.65 C ATOM 776 O ASP A 736 -15.277 -9.023 13.407 1.00 10.87 O ATOM 777 CB ASP A 736 -15.873 -11.767 15.071 1.00 9.77 C ATOM 778 CG ASP A 736 -16.418 -13.129 14.653 1.00 25.03 C ATOM 779 OD1 ASP A 736 -15.863 -13.766 13.731 1.00 23.58 O ATOM 780 OD2 ASP A 736 -17.421 -13.558 15.261 1.00 27.87 O ATOM 781 H ASP A 736 -13.403 -12.420 15.371 1.00 0.00 H ATOM 782 N LEU A 737 -14.006 -9.220 15.257 1.00 9.32 N ATOM 783 CA LEU A 737 -13.807 -7.783 15.395 1.00 9.35 C ATOM 784 C LEU A 737 -13.076 -7.217 14.181 1.00 8.80 C ATOM 785 O LEU A 737 -13.491 -6.199 13.609 1.00 9.76 O ATOM 786 CB LEU A 737 -13.038 -7.521 16.693 1.00 9.72 C ATOM 787 CG LEU A 737 -12.744 -6.069 17.079 1.00 9.02 C ATOM 788 CD1 LEU A 737 -12.539 -5.954 18.578 1.00 13.62 C ATOM 789 CD2 LEU A 737 -11.519 -5.516 16.360 1.00 10.57 C ATOM 790 H LEU A 737 -13.597 -9.860 15.967 1.00 0.00 H ATOM 791 N ILE A 738 -11.990 -7.869 13.768 1.00 9.26 N ATOM 792 CA ILE A 738 -11.217 -7.375 12.634 1.00 9.16 C ATOM 793 C ILE A 738 -12.047 -7.434 11.353 1.00 11.01 C ATOM 794 O ILE A 738 -12.028 -6.503 10.541 1.00 11.56 O ATOM 795 CB ILE A 738 -9.875 -8.134 12.539 1.00 9.69 C ATOM 796 CG1 ILE A 738 -9.004 -7.822 13.771 1.00 12.28 C ATOM 797 CG2 ILE A 738 -9.143 -7.775 11.254 1.00 12.23 C ATOM 798 CD1 ILE A 738 -8.557 -6.363 13.888 1.00 10.99 C ATOM 799 H ILE A 738 -11.691 -8.736 14.258 1.00 0.00 H ATOM 800 N SER A 739 -12.804 -8.518 11.160 1.00 11.00 N ATOM 801 CA SER A 739 -13.666 -8.611 9.986 1.00 12.79 C ATOM 802 C SER A 739 -14.671 -7.464 9.940 1.00 13.64 C ATOM 803 O SER A 739 -14.921 -6.886 8.875 1.00 12.92 O ATOM 804 CB SER A 739 -14.399 -9.952 9.991 1.00 17.86 C ATOM 805 OG SER A 739 -13.504 -11.032 9.801 1.00 18.40 O ATOM 806 HG SER A 739 -12.835 -11.037 10.531 1.00 0.00 H ATOM 807 H SER A 739 -12.779 -9.297 11.848 1.00 0.00 H ATOM 808 N TYR A 740 -15.265 -7.123 11.085 1.00 10.80 N ATOM 809 CA TYR A 740 -16.228 -6.028 11.132 1.00 11.11 C ATOM 810 C TYR A 740 -15.578 -4.704 10.751 1.00 10.76 C ATOM 811 O TYR A 740 -16.155 -3.912 9.998 1.00 10.61 O ATOM 812 CB TYR A 740 -16.832 -5.953 12.539 1.00 11.06 C ATOM 813 CG TYR A 740 -17.796 -4.808 12.787 1.00 12.47 C ATOM 814 CD1 TYR A 740 -17.342 -3.559 13.177 1.00 10.57 C ATOM 815 CD2 TYR A 740 -19.162 -4.991 12.668 1.00 14.08 C ATOM 816 CE1 TYR A 740 -18.217 -2.518 13.422 1.00 14.39 C ATOM 817 CE2 TYR A 740 -20.037 -3.950 12.906 1.00 14.31 C ATOM 818 CZ TYR A 740 -19.558 -2.723 13.278 1.00 15.37 C ATOM 819 OH TYR A 740 -20.435 -1.691 13.525 1.00 18.23 O ATOM 820 HH TYR A 740 -19.926 -0.881 13.780 1.00 0.00 H ATOM 821 H TYR A 740 -15.039 -7.645 11.956 1.00 0.00 H ATOM 822 N TYR A 741 -14.381 -4.432 11.263 1.00 8.81 N ATOM 823 CA TYR A 741 -13.754 -3.144 11.007 1.00 7.72 C ATOM 824 C TYR A 741 -13.039 -3.075 9.666 1.00 9.17 C ATOM 825 O TYR A 741 -12.514 -2.012 9.317 1.00 10.25 O ATOM 826 CB TYR A 741 -12.860 -2.735 12.180 1.00 10.53 C ATOM 827 CG TYR A 741 -13.672 -2.341 13.401 1.00 10.49 C ATOM 828 CD1 TYR A 741 -14.451 -1.192 13.395 1.00 11.93 C ATOM 829 CD2 TYR A 741 -13.670 -3.116 14.544 1.00 10.97 C ATOM 830 CE1 TYR A 741 -15.204 -0.829 14.499 1.00 10.67 C ATOM 831 CE2 TYR A 741 -14.410 -2.759 15.650 1.00 12.70 C ATOM 832 CZ TYR A 741 -15.175 -1.619 15.623 1.00 12.79 C ATOM 833 OH TYR A 741 -15.923 -1.274 16.730 1.00 16.79 O ATOM 834 HH TYR A 741 -16.570 -1.997 16.928 1.00 0.00 H ATOM 835 H TYR A 741 -13.893 -5.141 11.847 1.00 0.00 H ATOM 836 N GLU A 742 -13.035 -4.164 8.904 1.00 10.30 N ATOM 837 CA GLU A 742 -12.735 -4.081 7.481 1.00 11.75 C ATOM 838 C GLU A 742 -13.921 -3.530 6.698 1.00 13.88 C ATOM 839 O GLU A 742 -13.740 -2.963 5.614 1.00 16.27 O ATOM 840 CB GLU A 742 -12.370 -5.470 6.956 1.00 12.99 C ATOM 841 CG GLU A 742 -11.049 -6.009 7.466 1.00 17.23 C ATOM 842 CD GLU A 742 -10.853 -7.487 7.157 1.00 31.30 C ATOM 843 OE1 GLU A 742 -11.790 -8.133 6.633 1.00 27.84 O ATOM 844 OE2 GLU A 742 -9.755 -8.004 7.445 1.00 33.49 O ATOM 845 H GLU A 742 -13.249 -5.088 9.330 1.00 0.00 H ATOM 846 N LYS A 743 -15.130 -3.687 7.229 1.00 12.94 N ATOM 847 CA LYS A 743 -16.351 -3.298 6.538 1.00 13.57 C ATOM 848 C LYS A 743 -16.921 -1.978 7.032 1.00 14.32 C ATOM 849 O LYS A 743 -17.629 -1.298 6.279 1.00 16.48 O ATOM 850 CB LYS A 743 -17.423 -4.379 6.726 1.00 18.41 C ATOM 851 CG LYS A 743 -17.052 -5.744 6.166 1.00 17.94 C ATOM 852 CD LYS A 743 -18.104 -6.792 6.523 1.00 22.28 C ATOM 853 CE LYS A 743 -17.794 -8.143 5.900 1.00 53.23 C ATOM 854 NZ LYS A 743 -17.841 -8.100 4.411 1.00 77.06 N ATOM 855 HZ1 LYS A 743 -18.792 -7.812 4.104 1.00 0.00 H ATOM 856 HZ2 LYS A 743 -17.141 -7.415 4.063 1.00 0.00 H ATOM 857 HZ3 LYS A 743 -17.623 -9.043 4.031 1.00 0.00 H ATOM 858 H LYS A 743 -15.207 -4.105 8.178 1.00 0.00 H ATOM 859 N HIS A 744 -16.633 -1.600 8.272 1.00 12.49 N ATOM 860 CA HIS A 744 -17.193 -0.412 8.889 1.00 11.23 C ATOM 861 C HIS A 744 -16.084 0.356 9.589 1.00 11.26 C ATOM 862 O HIS A 744 -15.134 -0.250 10.078 1.00 10.41 O ATOM 863 CB HIS A 744 -18.252 -0.809 9.924 1.00 13.30 C ATOM 864 CG HIS A 744 -19.251 -1.792 9.406 1.00 12.00 C ATOM 865 ND1 HIS A 744 -20.260 -1.441 8.534 1.00 15.80 N ATOM 866 CD2 HIS A 744 -19.384 -3.121 9.621 1.00 14.47 C ATOM 867 CE1 HIS A 744 -20.976 -2.511 8.242 1.00 15.45 C ATOM 868 NE2 HIS A 744 -20.467 -3.545 8.889 1.00 19.07 N ATOM 869 H HIS A 744 -15.975 -2.183 8.827 1.00 0.00 H ATOM 870 N PRO A 745 -16.180 1.682 9.663 1.00 12.48 N ATOM 871 CA PRO A 745 -15.045 2.469 10.163 1.00 12.59 C ATOM 872 C PRO A 745 -14.680 2.156 11.611 1.00 11.23 C ATOM 873 O PRO A 745 -15.544 1.998 12.475 1.00 15.34 O ATOM 874 CB PRO A 745 -15.520 3.919 10.010 1.00 15.74 C ATOM 875 CG PRO A 745 -16.612 3.877 9.013 1.00 24.98 C ATOM 876 CD PRO A 745 -17.266 2.538 9.155 1.00 17.20 C ATOM 877 N LEU A 746 -13.372 2.098 11.868 1.00 12.31 N ATOM 878 CA LEU A 746 -12.825 1.921 13.207 1.00 14.32 C ATOM 879 C LEU A 746 -12.563 3.251 13.890 1.00 13.66 C ATOM 880 O LEU A 746 -12.813 3.403 15.092 1.00 16.52 O ATOM 881 CB LEU A 746 -11.489 1.181 13.114 1.00 10.77 C ATOM 882 CG LEU A 746 -10.673 1.055 14.399 1.00 12.66 C ATOM 883 CD1 LEU A 746 -11.449 0.256 15.430 1.00 17.55 C ATOM 884 CD2 LEU A 746 -9.314 0.411 14.131 1.00 17.04 C ATOM 885 H LEU A 746 -12.709 2.184 11.072 1.00 0.00 H ATOM 886 N TYR A 747 -12.033 4.206 13.142 1.00 12.04 N ATOM 887 CA TYR A 747 -11.614 5.483 13.697 1.00 11.67 C ATOM 888 C TYR A 747 -11.896 6.541 12.653 1.00 14.89 C ATOM 889 O TYR A 747 -11.378 6.452 11.537 1.00 13.93 O ATOM 890 CB TYR A 747 -10.120 5.453 14.026 1.00 12.63 C ATOM 891 CG TYR A 747 -9.604 6.728 14.627 1.00 16.02 C ATOM 892 CD1 TYR A 747 -9.782 7.003 15.975 1.00 17.69 C ATOM 893 CD2 TYR A 747 -8.948 7.664 13.846 1.00 20.02 C ATOM 894 CE1 TYR A 747 -9.318 8.175 16.531 1.00 20.69 C ATOM 895 CE2 TYR A 747 -8.477 8.841 14.392 1.00 20.08 C ATOM 896 CZ TYR A 747 -8.662 9.087 15.735 1.00 23.97 C ATOM 897 OH TYR A 747 -8.197 10.260 16.283 1.00 34.21 O ATOM 898 HH TYR A 747 -8.410 10.279 17.250 1.00 0.00 H ATOM 899 H TYR A 747 -11.912 4.037 12.123 1.00 0.00 H ATOM 900 N ARG A 748 -12.693 7.544 13.024 1.00 12.92 N ATOM 901 CA ARG A 748 -13.213 8.509 12.066 1.00 15.97 C ATOM 902 C ARG A 748 -13.834 7.746 10.902 1.00 16.94 C ATOM 903 O ARG A 748 -14.784 6.986 11.109 1.00 15.38 O ATOM 904 CB ARG A 748 -12.121 9.498 11.657 1.00 18.17 C ATOM 905 CG ARG A 748 -11.616 10.328 12.841 1.00 18.19 C ATOM 906 CD ARG A 748 -10.608 11.384 12.423 1.00 21.75 C ATOM 907 NE ARG A 748 -11.240 12.505 11.729 1.00 23.85 N ATOM 908 CZ ARG A 748 -10.573 13.486 11.128 1.00 28.68 C ATOM 909 NH1 ARG A 748 -11.237 14.464 10.527 1.00 36.73 N ATOM 910 NH2 ARG A 748 -9.245 13.487 11.119 1.00 36.02 N ATOM 911 HE ARG A 748 -12.279 12.537 11.704 1.00 0.00 H ATOM 912 HH12 ARG A 748 -10.718 15.232 10.056 1.00 0.00 H ATOM 913 HH11 ARG A 748 -12.277 14.463 10.526 1.00 0.00 H ATOM 914 HH22 ARG A 748 -8.729 14.257 10.647 1.00 0.00 H ATOM 915 HH21 ARG A 748 -8.721 12.718 11.584 1.00 0.00 H ATOM 916 H ARG A 748 -12.951 7.640 14.027 1.00 0.00 H ATOM 917 N LYS A 749 -13.317 7.922 9.689 1.00 15.77 N ATOM 918 CA LYS A 749 -13.840 7.216 8.527 1.00 11.83 C ATOM 919 C LYS A 749 -12.909 6.111 8.044 1.00 14.28 C ATOM 920 O LYS A 749 -13.164 5.515 6.996 1.00 16.32 O ATOM 921 CB LYS A 749 -14.163 8.203 7.403 1.00 17.80 C ATOM 922 CG LYS A 749 -15.216 9.232 7.814 1.00 24.61 C ATOM 923 CD LYS A 749 -15.567 10.177 6.678 1.00 28.89 C ATOM 924 CE LYS A 749 -16.458 11.310 7.166 1.00 25.04 C ATOM 925 NZ LYS A 749 -17.743 10.812 7.739 1.00 23.10 N ATOM 926 HZ1 LYS A 749 -18.264 10.282 7.011 1.00 0.00 H ATOM 927 HZ2 LYS A 749 -17.542 10.188 8.546 1.00 0.00 H ATOM 928 HZ3 LYS A 749 -18.315 11.620 8.057 1.00 0.00 H ATOM 929 H LYS A 749 -12.520 8.579 9.567 1.00 0.00 H ATOM 930 N MET A 750 -11.850 5.814 8.791 1.00 12.94 N ATOM 931 CA MET A 750 -10.870 4.828 8.361 1.00 12.20 C ATOM 932 C MET A 750 -11.328 3.415 8.700 1.00 13.01 C ATOM 933 O MET A 750 -11.797 3.141 9.809 1.00 14.25 O ATOM 934 CB MET A 750 -9.519 5.126 9.008 1.00 10.58 C ATOM 935 CG MET A 750 -8.490 4.056 8.809 1.00 10.31 C ATOM 936 SD MET A 750 -8.509 2.981 10.252 1.00 16.58 S ATOM 937 CE MET A 750 -7.125 1.903 9.877 1.00 16.17 C ATOM 938 H MET A 750 -11.719 6.297 9.703 1.00 0.00 H ATOM 939 N LYS A 751 -11.198 2.525 7.725 1.00 9.98 N ATOM 940 CA LYS A 751 -11.410 1.099 7.873 1.00 9.79 C ATOM 941 C LYS A 751 -10.066 0.380 7.814 1.00 11.92 C ATOM 942 O LYS A 751 -9.076 0.887 7.275 1.00 10.50 O ATOM 943 CB LYS A 751 -12.313 0.583 6.747 1.00 10.31 C ATOM 944 CG LYS A 751 -13.690 1.224 6.720 1.00 11.80 C ATOM 945 CD LYS A 751 -14.518 0.756 5.535 1.00 16.71 C ATOM 946 CE LYS A 751 -15.887 1.407 5.555 1.00 20.11 C ATOM 947 NZ LYS A 751 -16.783 0.887 4.485 1.00 23.98 N ATOM 948 HZ1 LYS A 751 -16.354 1.071 3.556 1.00 0.00 H ATOM 949 HZ2 LYS A 751 -16.913 -0.137 4.611 1.00 0.00 H ATOM 950 HZ3 LYS A 751 -17.705 1.365 4.544 1.00 0.00 H ATOM 951 H LYS A 751 -10.924 2.876 6.785 1.00 0.00 H ATOM 952 N LEU A 752 -10.037 -0.813 8.387 1.00 10.47 N ATOM 953 CA LEU A 752 -8.859 -1.664 8.292 1.00 9.27 C ATOM 954 C LEU A 752 -8.753 -2.195 6.863 1.00 11.08 C ATOM 955 O LEU A 752 -9.661 -2.880 6.382 1.00 17.09 O ATOM 956 CB LEU A 752 -9.002 -2.808 9.292 1.00 10.21 C ATOM 957 CG LEU A 752 -9.174 -2.399 10.759 1.00 10.38 C ATOM 958 CD1 LEU A 752 -9.287 -3.655 11.623 1.00 11.63 C ATOM 959 CD2 LEU A 752 -8.031 -1.529 11.238 1.00 10.91 C ATOM 960 H LEU A 752 -10.869 -1.148 8.914 1.00 0.00 H ATOM 961 N ARG A 753 -7.664 -1.875 6.176 1.00 10.27 N ATOM 962 CA ARG A 753 -7.566 -2.208 4.757 1.00 10.90 C ATOM 963 C ARG A 753 -6.279 -2.927 4.391 1.00 12.25 C ATOM 964 O ARG A 753 -6.316 -3.846 3.567 1.00 17.99 O ATOM 965 CB ARG A 753 -7.705 -0.908 3.929 1.00 14.26 C ATOM 966 CG ARG A 753 -7.349 -1.016 2.442 1.00 32.86 C ATOM 967 CD ARG A 753 -8.564 -1.130 1.541 1.00 43.11 C ATOM 968 NE ARG A 753 -8.159 -1.171 0.135 1.00 24.79 N ATOM 969 CZ ARG A 753 -8.034 -0.106 -0.654 1.00 31.79 C ATOM 970 NH1 ARG A 753 -8.291 1.116 -0.198 1.00 41.13 N ATOM 971 NH2 ARG A 753 -7.647 -0.269 -1.913 1.00 29.00 N ATOM 972 HE ARG A 753 -7.953 -2.103 -0.279 1.00 0.00 H ATOM 973 HH12 ARG A 753 -8.189 1.938 -0.827 1.00 0.00 H ATOM 974 HH11 ARG A 753 -8.594 1.250 0.788 1.00 0.00 H ATOM 975 HH22 ARG A 753 -7.546 0.557 -2.537 1.00 0.00 H ATOM 976 HH21 ARG A 753 -7.444 -1.223 -2.275 1.00 0.00 H ATOM 977 H ARG A 753 -6.878 -1.386 6.649 1.00 0.00 H ATOM 978 N TYR A 754 -5.143 -2.531 4.963 1.00 11.80 N ATOM 979 CA TYR A 754 -3.831 -3.002 4.519 1.00 11.33 C ATOM 980 C TYR A 754 -3.131 -3.682 5.686 1.00 11.31 C ATOM 981 O TYR A 754 -2.381 -3.036 6.430 1.00 11.22 O ATOM 982 CB TYR A 754 -2.976 -1.850 3.994 1.00 11.76 C ATOM 983 CG TYR A 754 -3.568 -1.117 2.818 1.00 12.02 C ATOM 984 CD1 TYR A 754 -3.752 -1.755 1.601 1.00 17.14 C ATOM 985 CD2 TYR A 754 -3.935 0.210 2.922 1.00 12.62 C ATOM 986 CE1 TYR A 754 -4.296 -1.085 0.520 1.00 22.95 C ATOM 987 CE2 TYR A 754 -4.476 0.888 1.854 1.00 13.99 C ATOM 988 CZ TYR A 754 -4.654 0.236 0.656 1.00 20.37 C ATOM 989 OH TYR A 754 -5.193 0.917 -0.408 1.00 23.02 O ATOM 990 HH TYR A 754 -5.254 0.312 -1.189 1.00 0.00 H ATOM 991 H TYR A 754 -5.191 -1.861 5.757 1.00 0.00 H ATOM 992 N PRO A 755 -3.319 -4.982 5.872 1.00 11.43 N ATOM 993 CA PRO A 755 -2.655 -5.653 6.992 1.00 10.06 C ATOM 994 C PRO A 755 -1.146 -5.648 6.826 1.00 12.92 C ATOM 995 O PRO A 755 -0.617 -5.876 5.735 1.00 15.62 O ATOM 996 CB PRO A 755 -3.208 -7.080 6.935 1.00 14.49 C ATOM 997 CG PRO A 755 -3.640 -7.268 5.529 1.00 18.34 C ATOM 998 CD PRO A 755 -4.079 -5.925 5.033 1.00 16.11 C ATOM 999 N ILE A 756 -0.458 -5.386 7.925 1.00 12.28 N ATOM 1000 CA ILE A 756 0.982 -5.578 7.998 1.00 15.41 C ATOM 1001 C ILE A 756 1.206 -6.988 8.510 1.00 13.38 C ATOM 1002 O ILE A 756 0.865 -7.298 9.656 1.00 14.15 O ATOM 1003 CB ILE A 756 1.637 -4.551 8.927 1.00 15.77 C ATOM 1004 CG1 ILE A 756 1.409 -3.144 8.376 1.00 17.57 C ATOM 1005 CG2 ILE A 756 3.125 -4.879 9.100 1.00 19.49 C ATOM 1006 CD1 ILE A 756 2.204 -2.065 9.065 1.00 28.97 C ATOM 1007 H ILE A 756 -0.962 -5.032 8.763 1.00 0.00 H ATOM 1008 N ASN A 757 1.778 -7.837 7.668 1.00 12.95 N ATOM 1009 CA ASN A 757 1.868 -9.253 7.973 1.00 14.11 C ATOM 1010 C ASN A 757 3.152 -9.560 8.730 1.00 20.79 C ATOM 1011 O ASN A 757 4.162 -8.862 8.602 1.00 22.89 O ATOM 1012 CB ASN A 757 1.786 -10.081 6.692 1.00 20.31 C ATOM 1013 CG ASN A 757 0.396 -10.073 6.086 1.00 21.30 C ATOM 1014 OD1 ASN A 757 -0.599 -9.830 6.779 1.00 24.49 O ATOM 1015 ND2 ASN A 757 0.314 -10.344 4.791 1.00 38.16 N ATOM 1016 HD22 ASN A 757 1.177 -10.543 4.246 1.00 0.00 H ATOM 1017 HD21 ASN A 757 -0.613 -10.358 4.320 1.00 0.00 H ATOM 1018 H ASN A 757 2.169 -7.482 6.772 1.00 0.00 H ATOM 1019 N GLU A 758 3.085 -10.597 9.558 1.00 16.93 N ATOM 1020 CA GLU A 758 4.273 -11.096 10.229 1.00 27.92 C ATOM 1021 C GLU A 758 5.262 -11.597 9.184 1.00 26.21 C ATOM 1022 O GLU A 758 4.880 -12.224 8.191 1.00 30.07 O ATOM 1023 CB GLU A 758 3.872 -12.231 11.169 1.00 28.87 C ATOM 1024 CG GLU A 758 4.980 -12.756 12.056 1.00 37.83 C ATOM 1025 CD GLU A 758 4.541 -13.969 12.850 1.00 27.37 C ATOM 1026 OE1 GLU A 758 3.649 -14.696 12.367 1.00 30.93 O ATOM 1027 OE2 GLU A 758 5.079 -14.190 13.956 1.00 45.39 O ATOM 1028 H GLU A 758 2.169 -11.058 9.728 1.00 0.00 H ATOM 1029 N GLU A 759 6.538 -11.302 9.400 1.00 37.27 N ATOM 1030 CA GLU A 759 7.564 -11.601 8.407 1.00 49.81 C ATOM 1031 C GLU A 759 8.036 -13.049 8.528 1.00 45.66 C ATOM 1032 O GLU A 759 7.744 -13.732 9.511 1.00 52.26 O ATOM 1033 CB GLU A 759 8.751 -10.649 8.572 1.00 46.27 C ATOM 1034 CG GLU A 759 8.372 -9.169 8.577 1.00 47.55 C ATOM 1035 CD GLU A 759 9.244 -8.345 9.508 1.00 50.96 C ATOM 1036 OE1 GLU A 759 9.545 -8.821 10.623 1.00 71.15 O ATOM 1037 OE2 GLU A 759 9.630 -7.219 9.125 1.00 37.43 O ATOM 1038 H GLU A 759 6.812 -10.849 10.295 1.00 0.00 H TER 1039 GLU A 759 HETATM 1040 O HOH 1 -5.932 -6.342 31.450 1.00 33.68 O HETATM 1041 O HOH 2 -2.348 -15.644 5.496 1.00 36.56 O HETATM 1042 O HOH 3 -16.642 -17.271 30.616 1.00 27.07 O HETATM 1043 O HOH 4 -7.545 -3.536 27.074 1.00 33.46 O HETATM 1044 O HOH 5 1.257 -1.688 29.818 1.00 40.16 O HETATM 1045 O HOH 6 4.261 -1.285 28.447 1.00 41.29 O HETATM 1046 O HOH 7 2.068 -5.896 32.959 1.00 37.46 O HETATM 1047 O HOH 8 -6.414 -18.029 11.277 1.00 32.71 O HETATM 1048 O HOH 9 5.593 -10.752 16.442 1.00 38.46 O HETATM 1049 O HOH 10 3.239 -14.485 7.746 1.00 38.74 O HETATM 1050 O HOH 11 5.346 -7.374 6.901 1.00 41.04 O HETATM 1051 O HOH 12 -9.237 -6.560 32.011 1.00 39.81 O HETATM 1052 O HOH 13 -10.238 -10.385 8.253 1.00 38.59 O HETATM 1053 O HOH 14 2.256 -5.137 22.571 1.00 14.63 O HETATM 1054 O HOH 15 -11.820 -4.713 31.295 1.00 32.65 O HETATM 1055 O HOH 16 4.676 0.035 6.539 1.00 17.98 O HETATM 1056 O HOH 17 -4.938 1.404 28.942 1.00 46.69 O HETATM 1057 O HOH 18 -11.326 -0.436 24.126 1.00 29.51 O HETATM 1058 O HOH 19 -22.739 -6.372 23.970 1.00 34.00 O HETATM 1059 O HOH 20 -5.470 10.369 12.853 1.00 28.29 O HETATM 1060 O HOH 21 3.425 6.440 20.508 1.00 22.21 O HETATM 1061 O HOH 22 -6.270 8.962 3.196 1.00 35.90 O HETATM 1062 O HOH 23 -18.615 8.770 6.329 1.00 34.87 O HETATM 1063 O HOH 24 7.540 -10.056 11.802 1.00 41.80 O HETATM 1064 O HOH 25 -0.784 -18.190 9.257 1.00 28.88 O HETATM 1065 O HOH 26 -19.642 -1.800 4.635 1.00 33.60 O HETATM 1066 O HOH 27 -12.873 -14.193 22.177 1.00 22.85 O HETATM 1067 O HOH 28 -15.283 -16.166 16.484 1.00 31.04 O HETATM 1068 O HOH 29 -1.016 -14.984 21.478 1.00 14.97 O HETATM 1069 O HOH 30 10.625 -2.440 21.324 1.00 16.78 O HETATM 1070 O HOH 31 -7.208 -7.785 6.664 1.00 33.99 O HETATM 1071 O HOH 32 -21.398 -6.047 8.735 1.00 33.30 O HETATM 1072 O HOH 33 -19.338 0.503 14.609 1.00 21.63 O HETATM 1073 O HOH 34 -1.590 -5.143 34.578 1.00 30.32 O HETATM 1074 O HOH 35 -17.735 -9.563 12.460 1.00 21.17 O HETATM 1075 O HOH 36 2.769 -13.788 23.282 1.00 38.42 O HETATM 1076 O HOH 37 8.871 5.498 3.768 1.00 42.58 O HETATM 1077 O HOH 38 -2.789 -9.762 26.866 1.00 21.23 O HETATM 1078 O HOH 39 -17.386 7.296 10.400 1.00 23.64 O HETATM 1079 O HOH 40 -11.196 -13.990 9.520 1.00 35.41 O HETATM 1080 O HOH 41 0.886 7.331 2.194 1.00 37.28 O HETATM 1081 O HOH 42 -14.483 -8.175 6.231 1.00 25.80 O HETATM 1082 O HOH 43 -1.501 9.603 16.659 1.00 19.53 O HETATM 1083 O HOH 44 -21.714 -1.016 19.662 1.00 22.95 O HETATM 1084 O HOH 45 -22.431 -2.317 15.282 1.00 20.34 O HETATM 1085 O HOH 46 -8.246 -12.028 7.929 1.00 32.59 O HETATM 1086 O HOH 47 -3.009 10.797 4.761 1.00 36.30 O HETATM 1087 O HOH 48 5.003 -6.898 24.166 1.00 33.47 O HETATM 1088 O HOH 49 -11.465 -2.268 4.253 1.00 21.80 O HETATM 1089 O HOH 50 -18.283 1.889 12.520 1.00 19.18 O HETATM 1090 O HOH 51 1.291 2.533 7.517 1.00 15.12 O HETATM 1091 O HOH 52 -10.694 -13.629 20.606 1.00 12.43 O HETATM 1092 O HOH 53 2.532 0.606 2.329 1.00 40.64 O HETATM 1093 O HOH 54 10.752 -6.104 11.577 1.00 30.44 O HETATM 1094 O HOH 55 -18.779 -1.434 16.648 1.00 27.66 O HETATM 1095 O HOH 56 -20.850 -8.336 17.551 1.00 21.12 O HETATM 1096 O HOH 57 -20.481 1.096 7.451 1.00 30.76 O HETATM 1097 O HOH 58 -3.225 -10.727 6.639 1.00 25.80 O HETATM 1098 O HOH 59 -18.993 2.153 5.624 1.00 34.83 O HETATM 1099 O HOH 60 10.837 1.961 3.834 1.00 44.23 O HETATM 1100 O HOH 61 4.275 5.864 1.952 1.00 39.53 O HETATM 1101 O HOH 62 -5.000 14.467 8.704 1.00 21.07 O HETATM 1102 O HOH 63 -20.366 -11.070 20.777 1.00 24.41 O HETATM 1103 O HOH 64 -7.726 12.564 13.285 1.00 27.49 O HETATM 1104 O HOH 65 -14.714 -13.343 10.836 1.00 37.51 O HETATM 1105 O HOH 66 -13.644 8.075 15.616 1.00 21.96 O HETATM 1106 O HOH 67 -10.154 -20.941 19.285 1.00 24.47 O HETATM 1107 O HOH 68 -5.290 12.956 11.671 1.00 34.49 O HETATM 1108 O HOH 69 -11.706 4.253 17.542 1.00 31.15 O HETATM 1109 O HOH 70 -18.958 -11.576 16.750 1.00 24.20 O HETATM 1110 O HOH 71 -0.431 11.321 18.538 1.00 20.30 O HETATM 1111 O HOH 72 -0.419 7.220 18.847 1.00 18.20 O HETATM 1112 O HOH 73 -10.639 -11.636 10.596 1.00 18.03 O HETATM 1113 O HOH 74 -12.677 -10.919 7.084 1.00 35.27 O HETATM 1114 O HOH 75 13.412 -4.689 18.736 1.00 26.70 O HETATM 1115 O HOH 76 6.214 -9.521 13.962 1.00 29.93 O HETATM 1116 O HOH 77 9.232 3.056 16.828 1.00 23.13 O HETATM 1117 O HOH 78 10.071 2.744 10.137 1.00 19.97 O HETATM 1118 O HOH 79 -17.835 10.009 10.498 1.00 24.57 O HETATM 1119 O HOH 80 10.651 4.363 5.984 1.00 42.06 O HETATM 1120 O HOH 81 10.667 -7.613 21.395 1.00 36.10 O HETATM 1121 O HOH 82 -3.787 -15.135 21.817 1.00 26.84 O HETATM 1122 O HOH 83 -9.973 -14.631 17.305 1.00 12.34 O HETATM 1123 O HOH 84 2.084 0.433 5.862 1.00 19.00 O HETATM 1124 O HOH 85 4.858 -2.012 24.155 1.00 25.40 O HETATM 1125 O HOH 86 -7.325 5.318 29.636 1.00 41.07 O HETATM 1126 O HOH 87 -3.730 -14.353 7.461 1.00 24.66 O HETATM 1127 O HOH 88 2.842 -8.768 25.050 1.00 37.91 O HETATM 1128 O HOH 89 2.477 -6.948 4.958 1.00 26.36 O HETATM 1129 O HOH 90 7.682 4.543 18.664 1.00 19.97 O HETATM 1130 O HOH 91 -7.335 -16.811 7.278 1.00 39.73 O HETATM 1131 O HOH 92 -7.690 7.388 7.065 1.00 20.88 O HETATM 1132 O HOH 93 8.962 -8.555 17.767 1.00 44.33 O HETATM 1133 O HOH 94 9.542 -3.554 14.224 1.00 23.02 O HETATM 1134 O HOH 95 3.197 -15.969 9.719 1.00 30.68 O HETATM 1135 O HOH 96 -0.821 -12.891 2.541 1.00 30.34 O HETATM 1136 O HOH 97 -9.307 3.002 5.165 1.00 27.08 O HETATM 1137 O HOH 98 -1.450 -5.095 2.964 1.00 32.46 O HETATM 1138 O HOH 99 14.268 3.286 11.348 1.00 39.52 O HETATM 1139 O HOH 100 -11.245 6.583 4.901 1.00 37.17 O HETATM 1140 O HOH 101 7.350 0.052 23.092 1.00 19.06 O HETATM 1141 O HOH 102 -8.019 3.207 2.034 1.00 46.52 O HETATM 1142 O HOH 103 -22.083 -4.846 22.152 1.00 27.08 O HETATM 1143 O HOH 104 -16.003 -1.775 3.067 1.00 33.28 O HETATM 1144 O HOH 105 -2.253 0.155 30.937 1.00 37.47 O HETATM 1145 O HOH 106 -7.984 -5.762 5.407 1.00 32.99 O HETATM 1146 O HOH 107 -9.059 10.610 19.303 1.00 40.86 O HETATM 1147 O HOH 108 -4.197 -13.119 28.498 1.00 42.07 O HETATM 1148 O HOH 109 -17.363 -12.173 11.393 1.00 37.57 O HETATM 1149 O HOH 110 -4.900 -16.856 7.975 1.00 26.95 O HETATM 1150 O HOH 111 4.780 5.846 23.572 1.00 28.12 O HETATM 1151 O HOH 112 0.484 -1.916 5.054 1.00 32.35 O HETATM 1152 O HOH 113 -6.895 9.692 19.438 1.00 38.60 O HETATM 1153 O HOH 114 1.706 -8.141 2.501 1.00 41.73 O HETATM 1154 O HOH 115 11.307 -0.418 17.094 1.00 25.70 O HETATM 1155 O HOH 116 -18.275 -8.515 9.742 1.00 29.90 O HETATM 1156 O HOH 117 9.363 3.974 14.406 1.00 29.22 O HETATM 1157 O HOH 118 0.140 -7.085 33.897 1.00 35.75 O HETATM 1158 O HOH 119 -14.609 -6.695 3.768 1.00 34.21 O HETATM 1159 O HOH 120 -20.480 -3.848 16.484 1.00 34.58 O HETATM 1160 O HOH 121 6.360 3.846 20.958 1.00 36.45 O HETATM 1161 O HOH 122 -2.030 -18.106 6.958 1.00 33.25 O HETATM 1162 O HOH 123 -0.573 12.582 5.569 1.00 34.21 O HETATM 1163 O HOH 124 3.670 -4.518 24.650 1.00 21.11 O HETATM 1164 O HOH 125 -6.277 -10.074 6.145 1.00 31.98 O HETATM 1165 O HOH 126 10.046 -0.789 23.370 1.00 31.45 O HETATM 1166 O HOH 127 -21.446 1.560 20.953 1.00 32.83 O HETATM 1167 O HOH 128 6.995 2.786 23.200 1.00 26.71 O HETATM 1168 O HOH 129 -8.309 5.346 5.338 1.00 27.04 O HETATM 1169 O HOH 130 5.796 -16.262 7.018 1.00 42.50 O HETATM 1170 O HOH 131 8.833 -8.558 14.611 1.00 33.36 O HETATM 1171 O HOH 132 -12.241 10.700 16.742 1.00 38.21 O HETATM 1172 O HOH 133 12.798 -6.254 15.600 1.00 32.78 O HETATM 1173 O HOH 134 -22.465 -0.460 5.119 1.00 37.16 O HETATM 1174 O HOH 135 5.473 -2.268 5.198 1.00 31.79 O HETATM 1175 O HOH 136 10.755 4.678 12.169 1.00 28.86 O HETATM 1176 O HOH 137 12.800 2.870 15.737 1.00 50.22 O HETATM 1177 O HOH 138 11.843 2.923 8.317 1.00 39.99 O HETATM 1178 O HOH 139 10.192 -6.113 14.738 1.00 28.72 O HETATM 1179 O HOH 140 -12.059 -0.011 2.638 1.00 32.47 O HETATM 1180 O HOH 141 -12.569 6.847 18.054 1.00 33.95 O HETATM 1181 O HOH 142 -20.126 -8.367 13.751 1.00 42.99 O HETATM 1182 O HOH 143 11.570 3.632 18.809 1.00 36.21 O HETATM 1183 O HOH 144 8.009 -2.758 4.380 1.00 47.17 O HETATM 1184 O HOH 145 4.587 3.856 25.700 1.00 39.09 O HETATM 1185 O HOH 146 -10.915 2.054 24.049 1.00 22.06 O HETATM 1186 O HOH 147 -12.895 0.953 25.963 1.00 44.68 O HETATM 1187 O HOH 148 1.480 -3.177 26.140 1.00 16.89 O HETATM 1188 O HOH 149 0.668 0.384 28.129 1.00 30.69 O HETATM 1189 O HOH 150 -8.245 2.576 23.177 1.00 16.32 O HETATM 1190 O HOH 151 4.197 -0.186 25.726 1.00 28.10 O HETATM 1191 O HOH 152 -9.635 6.699 27.345 1.00 45.49 O HETATM 1192 O HOH 153 -11.821 5.168 30.593 1.00 23.47 O HETATM 1193 O HOH 154 -2.859 6.313 19.911 1.00 12.01 O HETATM 1194 O HOH 155 -1.788 4.387 29.122 1.00 26.39 O HETATM 1195 O HOH 156 2.162 3.215 29.341 1.00 40.81 O HETATM 1196 O HOH 157 -4.272 7.214 26.497 1.00 25.02 O HETATM 1197 O HOH 158 2.621 7.313 23.965 1.00 23.93 O HETATM 1198 O HOH 159 -16.742 1.126 29.300 1.00 40.75 O HETATM 1199 O HOH 160 1.006 3.894 32.070 1.00 41.53 O HETATM 1200 O HOH 161 -12.430 8.570 27.129 1.00 43.96 O HETATM 1201 O HOH 162 -4.256 8.783 19.811 1.00 21.55 O HETATM 1202 O HOH 163 6.167 8.388 23.728 1.00 44.48 O HETATM 1203 N SER A 164 2.621 6.006 30.105 1.00 0.24 N HETATM 1204 CA SER A 164 2.388 7.213 29.324 1.00 0.09 C HETATM 1205 C SER A 164 2.106 6.875 27.860 1.00 0.23 C HETATM 1206 O SER A 164 2.250 7.724 26.978 1.00 -0.39 O HETATM 1207 N SER A 164 1.717 5.628 27.603 1.00 -0.26 N HETATM 1208 CA SER A 164 1.273 5.252 26.268 1.00 0.15 C HETATM 1209 C SER A 164 -0.055 5.932 25.971 1.00 0.21 C HETATM 1210 O SER A 164 -0.980 5.901 26.792 1.00 -0.39 O HETATM 1211 N SER A 164 -0.139 6.562 24.807 1.00 -0.26 N HETATM 1212 CA SER A 164 -1.353 7.253 24.395 1.00 0.13 C HETATM 1213 C SER A 164 -2.185 6.338 23.510 1.00 0.20 C HETATM 1214 O SER A 164 -1.706 5.844 22.486 1.00 -0.39 O HETATM 1215 N SER A 164 -3.431 6.112 23.912 1.00 -0.26 N HETATM 1216 CA SER A 164 -4.355 5.328 23.110 1.00 0.15 C HETATM 1217 C SER A 164 -5.554 6.173 22.701 1.00 0.21 C HETATM 1218 O SER A 164 -5.843 7.210 23.310 1.00 -0.39 O HETATM 1219 N SER A 164 -6.257 5.731 21.669 1.00 -0.26 N HETATM 1220 CA SER A 164 -7.508 6.355 21.270 1.00 0.13 C HETATM 1221 C SER A 164 -8.438 6.283 22.475 1.00 0.21 C HETATM 1222 O SER A 164 -8.496 5.248 23.139 1.00 -0.39 O HETATM 1223 N SER A 164 -9.148 7.374 22.775 1.00 -0.25 N HETATM 1224 CA SER A 164 -9.958 7.403 24.000 1.00 0.13 C HETATM 1225 C SER A 164 -11.010 6.307 24.020 1.00 0.20 C HETATM 1226 O SER A 164 -11.599 5.963 22.992 1.00 -0.39 O HETATM 1227 N SER A 164 -11.243 5.764 25.214 1.00 -0.26 N HETATM 1228 CA SER A 164 -12.293 4.781 25.418 1.00 0.14 C HETATM 1229 C SER A 164 -13.641 5.345 24.975 1.00 0.21 C HETATM 1230 O SER A 164 -13.795 6.538 24.703 1.00 -0.39 O HETATM 1231 N SER A 164 -14.630 4.458 24.916 1.00 -0.27 N HETATM 1232 CA SER A 164 -16.021 4.848 24.700 1.00 0.10 C HETATM 1233 C SER A 164 -16.254 5.248 23.246 1.00 0.06 C HETATM 1234 O SER A 164 -15.524 4.825 22.349 1.00 -0.57 O HETATM 1235 OXT SER A 164 -17.177 6.003 22.938 1.00 -0.57 O HETATM 1236 CB SER A 164 -16.416 6.007 25.627 1.00 -0.01 C HETATM 1237 CG SER A 164 -15.920 5.893 27.075 1.00 0.00 C HETATM 1238 CD SER A 164 -16.663 4.844 27.876 1.00 0.04 C HETATM 1239 OE1 SER A 164 -17.909 4.817 27.811 1.00 -0.57 O HETATM 1240 OE2 SER A 164 -15.999 4.045 28.572 1.00 -0.57 O HETATM 1241 H54 SER A 164 -16.051 6.868 27.568 1.00 0.04 H HETATM 1242 H55 SER A 164 -14.852 5.630 27.060 1.00 0.04 H HETATM 1243 H52 SER A 164 -17.514 6.065 25.648 1.00 0.03 H HETATM 1244 H53 SER A 164 -16.008 6.936 25.201 1.00 0.03 H HETATM 1245 H51 SER A 164 -16.661 3.984 24.931 1.00 0.07 H HETATM 1246 H50 SER A 164 -14.413 3.488 25.023 1.00 0.19 H HETATM 1247 CB SER A 164 -12.385 4.408 26.899 1.00 0.04 C HETATM 1248 CG SER A 164 -11.304 3.434 27.329 1.00 0.04 C HETATM 1249 OD1 SER A 164 -10.954 2.548 26.523 1.00 -0.57 O HETATM 1250 OD2 SER A 164 -10.809 3.550 28.474 1.00 -0.57 O HETATM 1251 H48 SER A 164 -13.367 3.948 27.085 1.00 0.05 H HETATM 1252 H49 SER A 164 -12.290 5.325 27.499 1.00 0.05 H HETATM 1253 H47 SER A 164 -12.062 3.882 24.828 1.00 0.08 H HETATM 1254 H46 SER A 164 -10.679 6.041 25.992 1.00 0.19 H HETATM 1255 CB SER A 164 -10.604 8.792 23.968 1.00 -0.01 C HETATM 1256 CG SER A 164 -9.696 9.610 23.139 1.00 -0.03 C HETATM 1257 CD SER A 164 -9.149 8.682 22.095 1.00 0.04 C HETATM 1258 H44 SER A 164 -9.796 8.664 21.206 1.00 0.05 H HETATM 1259 H45 SER A 164 -8.130 8.975 21.802 1.00 0.05 H HETATM 1260 H42 SER A 164 -8.880 10.019 23.753 1.00 0.03 H HETATM 1261 H43 SER A 164 -10.248 10.435 22.666 1.00 0.03 H HETATM 1262 H40 SER A 164 -10.681 9.207 24.984 1.00 0.03 H HETATM 1263 H41 SER A 164 -11.605 8.744 23.515 1.00 0.03 H HETATM 1264 H39 SER A 164 -9.316 7.295 24.887 1.00 0.08 H HETATM 1265 CB SER A 164 -8.106 5.658 20.041 1.00 -0.01 C HETATM 1266 CG1 SER A 164 -9.519 6.156 19.766 1.00 -0.06 C HETATM 1267 H33 SER A 164 -9.924 5.641 18.882 1.00 0.02 H HETATM 1268 H34 SER A 164 -9.496 7.240 19.581 1.00 0.02 H HETATM 1269 H35 SER A 164 -10.158 5.946 20.637 1.00 0.02 H HETATM 1270 CG2 SER A 164 -7.221 5.894 18.833 1.00 -0.06 C HETATM 1271 H36 SER A 164 -6.205 5.530 19.046 1.00 0.02 H HETATM 1272 H37 SER A 164 -7.185 6.970 18.609 1.00 0.02 H HETATM 1273 H38 SER A 164 -7.630 5.353 17.967 1.00 0.02 H HETATM 1274 H32 SER A 164 -8.150 4.577 20.239 1.00 0.03 H HETATM 1275 H31 SER A 164 -7.325 7.410 21.016 1.00 0.08 H HETATM 1276 H30 SER A 164 -5.918 4.946 21.150 1.00 0.19 H HETATM 1277 CB SER A 164 -4.844 4.125 23.912 1.00 0.04 C HETATM 1278 CG SER A 164 -3.772 3.117 24.269 1.00 -0.00 C HETATM 1279 CD1 SER A 164 -3.131 3.169 25.497 1.00 -0.02 C HETATM 1280 CE1 SER A 164 -2.154 2.250 25.836 1.00 0.01 C HETATM 1281 CZ SER A 164 -1.802 1.263 24.945 1.00 0.17 C HETATM 1282 CE2 SER A 164 -2.440 1.173 23.722 1.00 0.01 C HETATM 1283 CD2 SER A 164 -3.412 2.103 23.390 1.00 -0.02 C HETATM 1284 H27 SER A 164 -3.901 2.038 22.425 1.00 0.07 H HETATM 1285 H29 SER A 164 -2.182 0.381 23.028 1.00 0.07 H HETATM 1286 OH SER A 164 -0.897 0.387 25.299 1.00 -0.20 O HETATM 1287 P SER A 164 0.541 0.096 24.621 1.00 0.13 P HETATM 1288 O1P SER A 164 0.632 0.793 23.258 1.00 -0.67 O HETATM 1289 O2P SER A 164 1.598 0.580 25.619 1.00 -0.67 O HETATM 1290 O3P SER A 164 0.626 -1.374 24.484 1.00 -0.67 O HETATM 1291 H28 SER A 164 -1.667 2.308 26.802 1.00 0.07 H HETATM 1292 H26 SER A 164 -3.400 3.944 26.205 1.00 0.07 H HETATM 1293 H24 SER A 164 -5.614 3.609 23.319 1.00 0.06 H HETATM 1294 H25 SER A 164 -5.289 4.496 24.847 1.00 0.06 H HETATM 1295 H23 SER A 164 -3.836 4.976 22.206 1.00 0.08 H HETATM 1296 H22 SER A 164 -3.740 6.489 24.785 1.00 0.19 H HETATM 1297 CB SER A 164 -1.019 8.580 23.693 1.00 -0.01 C HETATM 1298 CG1 SER A 164 -2.263 9.212 23.081 1.00 -0.06 C HETATM 1299 H16 SER A 164 -1.990 10.157 22.588 1.00 0.02 H HETATM 1300 H17 SER A 164 -3.000 9.411 23.873 1.00 0.02 H HETATM 1301 H18 SER A 164 -2.697 8.524 22.340 1.00 0.02 H HETATM 1302 CG2 SER A 164 -0.375 9.539 24.686 1.00 -0.06 C HETATM 1303 H19 SER A 164 0.521 9.071 25.120 1.00 0.02 H HETATM 1304 H20 SER A 164 -1.091 9.773 25.488 1.00 0.02 H HETATM 1305 H21 SER A 164 -0.089 10.466 24.168 1.00 0.02 H HETATM 1306 H15 SER A 164 -0.301 8.375 22.885 1.00 0.03 H HETATM 1307 H14 SER A 164 -1.941 7.486 25.295 1.00 0.08 H HETATM 1308 H13 SER A 164 0.652 6.563 24.196 1.00 0.19 H HETATM 1309 CB SER A 164 1.117 3.734 26.166 1.00 0.08 C HETATM 1310 OG SER A 164 2.380 3.101 26.089 1.00 -0.39 O HETATM 1311 H12 SER A 164 2.259 2.161 26.026 1.00 0.21 H HETATM 1312 H10 SER A 164 0.537 3.491 25.264 1.00 0.06 H HETATM 1313 H11 SER A 164 0.583 3.366 27.055 1.00 0.06 H HETATM 1314 H9 SER A 164 2.021 5.584 25.533 1.00 0.08 H HETATM 1315 H8 SER A 164 1.730 4.944 28.332 1.00 0.19 H HETATM 1316 CB SER A 164 3.592 8.152 29.423 1.00 0.10 C HETATM 1317 OG SER A 164 4.748 7.565 28.850 1.00 -0.39 O HETATM 1318 H7 SER A 164 4.585 7.376 27.933 1.00 0.21 H HETATM 1319 H5 SER A 164 3.789 8.372 30.483 1.00 0.06 H HETATM 1320 H6 SER A 164 3.363 9.087 28.890 1.00 0.06 H HETATM 1321 H4 SER A 164 1.508 7.728 29.737 1.00 0.11 H HETATM 1322 H1 SER A 164 2.804 6.256 31.064 1.00 0.20 H HETATM 1323 H2 SER A 164 3.415 5.511 29.730 1.00 0.20 H HETATM 1324 H3 SER A 164 1.806 5.415 30.062 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1203 1204 1322 1323 1324 CONECT 1204 1203 1205 1316 1321 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 1208 1315 CONECT 1208 1207 1209 1309 1314 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1308 CONECT 1212 1211 1213 1297 1307 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 1216 1296 CONECT 1216 1215 1217 1277 1295 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 1220 1276 CONECT 1220 1219 1221 1265 1275 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1257 CONECT 1224 1223 1225 1255 1264 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1254 CONECT 1228 1227 1229 1247 1253 CONECT 1229 1228 1230 1231 CONECT 1230 1229 CONECT 1231 1229 1232 1246 CONECT 1232 1231 1233 1236 1245 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1232 1237 1243 1244 CONECT 1237 1236 1238 1241 1242 CONECT 1238 1237 1239 1240 CONECT 1239 1238 CONECT 1240 1238 CONECT 1241 1237 CONECT 1242 1237 CONECT 1243 1236 CONECT 1244 1236 CONECT 1245 1232 CONECT 1246 1231 CONECT 1247 1228 1248 1251 1252 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 CONECT 1251 1247 CONECT 1252 1247 CONECT 1253 1228 CONECT 1254 1227 CONECT 1255 1224 1256 1262 1263 CONECT 1256 1255 1257 1260 1261 CONECT 1257 1223 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 CONECT 1260 1256 CONECT 1261 1256 CONECT 1262 1255 CONECT 1263 1255 CONECT 1264 1224 CONECT 1265 1220 1266 1270 1274 CONECT 1266 1265 1267 1268 1269 CONECT 1267 1266 CONECT 1268 1266 CONECT 1269 1266 CONECT 1270 1265 1271 1272 1273 CONECT 1271 1270 CONECT 1272 1270 CONECT 1273 1270 CONECT 1274 1265 CONECT 1275 1220 CONECT 1276 1219 CONECT 1277 1216 1278 1293 1294 CONECT 1278 1277 1279 1283 CONECT 1279 1278 1280 1292 CONECT 1280 1279 1281 1291 CONECT 1281 1280 1282 1286 CONECT 1282 1281 1283 1285 CONECT 1283 1278 1282 1284 CONECT 1284 1283 CONECT 1285 1282 CONECT 1286 1281 1287 CONECT 1287 1286 1288 1289 1290 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1287 CONECT 1291 1280 CONECT 1292 1279 CONECT 1293 1277 CONECT 1294 1277 CONECT 1295 1216 CONECT 1296 1215 CONECT 1297 1212 1298 1302 1306 CONECT 1298 1297 1299 1300 1301 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1298 CONECT 1302 1297 1303 1304 1305 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 CONECT 1306 1297 CONECT 1307 1212 CONECT 1308 1211 CONECT 1309 1208 1310 1312 1313 CONECT 1310 1309 1311 CONECT 1311 1310 CONECT 1312 1309 CONECT 1313 1309 CONECT 1314 1208 CONECT 1315 1207 CONECT 1316 1204 1317 1319 1320 CONECT 1317 1316 1318 CONECT 1318 1317 CONECT 1319 1316 CONECT 1320 1316 CONECT 1321 1204 CONECT 1322 1203 CONECT 1323 1203 CONECT 1324 1203 MASTER 0 0 0 0 0 0 0 0 1323 1 126 8 END
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11-mer
1h25
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11-mer
1l2z
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1lcj
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11-mer
1mik
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1om2
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1qnh
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3mea
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3met
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3oap
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3odi
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3odl
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3p9h
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3qzv
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3rl7
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11-mer
3rl8
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3zke
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3zkf
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4aa2
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11-mer
4b8o
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11-mer
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4ds1
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11-mer
4fgy
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11-mer
4ht6
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11-mer
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PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
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PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
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PDBbind
11-mer
4o3t
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PDBbind
11-mer
4o62
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11-mer
4pl6
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11-mer
4pli
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11-mer
4pr5
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11-mer
4pra
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PDBbind
11-mer
4prb
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11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
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PDBbind
11-mer
4prh
RCSB PDB
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11-mer
4pri
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PDBbind
11-mer
4prn
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PDBbind
11-mer
4prp
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11-mer
4pxf
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4qc1
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PDBbind
11-mer
4qyo
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PDBbind
11-mer
4tk1
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PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
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11-mer
4wph
RCSB PDB
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11-mer
4x6s
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PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
5tq1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.49(Å)
Affinity (Kd/Ki/IC50)
Kd=3.21uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochemistry Vol. 56: pp. 2225-2237
Ligand Properties
Formula
C
3
9
H
6
1
N
8
O
1
9
P
Molecular Weight
976.918
Exact Mass
976.379
No. of atoms
128
No. of bonds
129
Polar Surface Area
458.42
LOGP Value
-2.49 (
Computed with XLOGP3
)
-3.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(=O)O)C(C)C)Cc1ccc(cc1)OP(O)(O)O)C(C)C)NC(=O)[C@H](CO)[NH3+]
InChI String
InChI=1S/C39H61N8O19P/c1-18(2)30(45-35(57)26(17-49)44-32(54)22(40)16-48)37(59)43-24(14-20-7-9-21(10-8-20)66-67(63,64)65)34(56)46-31(19(3)4)38(60)47-13-5-6-27(47)36(58)42-25(15-29(52)53)33(55)41-23(39(61)62)11-12-28(50)51/h7-10,18-19,22-27,30-31,48-49,63-65,67H,5-6,11-17,40H2,1-4H3,(H,41,55)(H,42,58)(H,43,59)(H,44,54)(H,45,57)(H,46,56)(H,50,51)(H,52,53)(H,61,62)/p+1/t22-,23-,24-,25-,26-,27-,30-,31-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08487
P15127
Entrez Gene ID
NCBI Entrez Gene ID:
281987
ASD
Information of known allosteric effects of PDB entries
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