Browse entries in the PDBbind-CN Database
HEADER 5OV8_COMPLEX COMPND 5OV8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR LEU SEQRES 2 A 111 GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SER SEQRES 3 A 111 GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU ASP SEQRES 4 A 111 HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS GLN SEQRES 5 A 111 ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP PHE SEQRES 6 A 111 GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU LYS SEQRES 7 A 111 TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA VAL SEQRES 8 A 111 ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN ALA SEQRES 9 A 111 ARG ARG GLN ALA GLU LYS MET HET AXN A 247 63 ATOM 1 N GLN A 629 1.273 -7.167 -14.629 1.00 57.85 N ATOM 2 CA GLN A 629 2.494 -6.612 -14.057 1.00 56.04 C ATOM 3 C GLN A 629 2.271 -5.201 -13.502 1.00 58.35 C ATOM 4 O GLN A 629 1.893 -5.040 -12.341 1.00 66.00 O ATOM 5 CB GLN A 629 3.612 -6.600 -15.102 1.00 49.65 C ATOM 6 CG GLN A 629 3.150 -6.304 -16.521 1.00 47.81 C ATOM 7 CD GLN A 629 4.304 -5.901 -17.413 1.00 48.61 C ATOM 8 OE1 GLN A 629 5.405 -5.630 -16.931 1.00 46.97 O ATOM 9 NE2 GLN A 629 4.055 -5.839 -18.715 1.00 53.62 N ATOM 10 HE22 GLN A 629 3.109 -6.077 -19.075 1.00 0.00 H ATOM 11 HE21 GLN A 629 4.806 -5.552 -19.375 1.00 0.00 H ATOM 12 HN3 GLN A 629 0.947 -6.557 -15.406 1.00 0.00 H ATOM 13 HN2 GLN A 629 0.539 -7.216 -13.894 1.00 0.00 H ATOM 14 HN1 GLN A 629 1.465 -8.122 -14.993 1.00 0.00 H ATOM 15 N LEU A 630 2.513 -4.188 -14.334 1.00 52.17 N ATOM 16 CA LEU A 630 2.303 -2.797 -13.943 1.00 44.64 C ATOM 17 C LEU A 630 0.818 -2.515 -13.758 1.00 33.63 C ATOM 18 O LEU A 630 0.036 -2.623 -14.707 1.00 32.07 O ATOM 19 CB LEU A 630 2.878 -1.857 -14.998 1.00 54.51 C ATOM 20 CG LEU A 630 4.392 -1.783 -15.168 1.00 58.64 C ATOM 21 CD1 LEU A 630 4.755 -0.605 -16.067 1.00 56.05 C ATOM 22 CD2 LEU A 630 5.071 -1.670 -13.810 1.00 59.71 C ATOM 23 H LEU A 630 2.862 -4.395 -15.291 1.00 0.00 H ATOM 24 N THR A 631 0.423 -2.152 -12.540 1.00 30.92 N ATOM 25 CA THR A 631 -0.921 -1.642 -12.354 1.00 27.16 C ATOM 26 C THR A 631 -0.834 -0.256 -11.734 1.00 20.71 C ATOM 27 O THR A 631 0.162 0.067 -11.072 1.00 23.57 O ATOM 28 CB THR A 631 -1.778 -2.551 -11.457 1.00 26.48 C ATOM 29 OG1 THR A 631 -1.308 -2.486 -10.105 1.00 30.67 O ATOM 30 CG2 THR A 631 -1.732 -3.993 -11.947 1.00 33.94 C ATOM 31 HG1 THR A 631 -1.865 -3.073 -9.535 1.00 0.00 H ATOM 32 H THR A 631 1.071 -2.233 -11.731 1.00 0.00 H ATOM 33 N PRO A 632 -1.838 0.594 -11.947 1.00 21.01 N ATOM 34 CA PRO A 632 -1.803 1.917 -11.304 1.00 27.42 C ATOM 35 C PRO A 632 -1.636 1.826 -9.797 1.00 22.31 C ATOM 36 O PRO A 632 -0.917 2.636 -9.198 1.00 24.82 O ATOM 37 CB PRO A 632 -3.148 2.535 -11.699 1.00 26.94 C ATOM 38 CG PRO A 632 -3.561 1.797 -12.963 1.00 24.24 C ATOM 39 CD PRO A 632 -3.024 0.410 -12.807 1.00 25.99 C ATOM 40 N PHE A 633 -2.270 0.826 -9.175 1.00 20.44 N ATOM 41 CA PHE A 633 -2.157 0.655 -7.728 1.00 21.77 C ATOM 42 C PHE A 633 -0.732 0.307 -7.317 1.00 22.85 C ATOM 43 O PHE A 633 -0.202 0.871 -6.351 1.00 19.57 O ATOM 44 CB PHE A 633 -3.125 -0.425 -7.252 1.00 24.58 C ATOM 45 CG PHE A 633 -3.011 -0.709 -5.783 1.00 20.17 C ATOM 46 CD1 PHE A 633 -3.381 0.249 -4.867 1.00 21.43 C ATOM 47 CD2 PHE A 633 -2.515 -1.916 -5.329 1.00 23.96 C ATOM 48 CE1 PHE A 633 -3.259 0.005 -3.511 1.00 24.75 C ATOM 49 CE2 PHE A 633 -2.398 -2.165 -3.968 1.00 26.69 C ATOM 50 CZ PHE A 633 -2.771 -1.201 -3.071 1.00 25.25 C ATOM 51 H PHE A 633 -2.850 0.163 -9.727 1.00 0.00 H ATOM 52 N LEU A 634 -0.090 -0.615 -8.041 1.00 25.49 N ATOM 53 CA LEU A 634 1.282 -0.983 -7.704 1.00 25.28 C ATOM 54 C LEU A 634 2.251 0.156 -7.985 1.00 25.89 C ATOM 55 O LEU A 634 3.264 0.297 -7.286 1.00 22.67 O ATOM 56 CB LEU A 634 1.682 -2.246 -8.460 1.00 24.20 C ATOM 57 CG LEU A 634 1.070 -3.518 -7.872 1.00 22.70 C ATOM 58 CD1 LEU A 634 1.207 -4.713 -8.812 1.00 24.15 C ATOM 59 CD2 LEU A 634 1.707 -3.826 -6.525 1.00 32.54 C ATOM 60 H LEU A 634 -0.568 -1.070 -8.845 1.00 0.00 H ATOM 61 N ILE A 635 1.968 0.963 -9.008 1.00 23.79 N ATOM 62 CA ILE A 635 2.771 2.157 -9.260 1.00 23.45 C ATOM 63 C ILE A 635 2.605 3.153 -8.121 1.00 19.34 C ATOM 64 O ILE A 635 3.567 3.805 -7.696 1.00 23.36 O ATOM 65 CB ILE A 635 2.380 2.776 -10.612 1.00 25.76 C ATOM 66 CG1 ILE A 635 2.878 1.898 -11.765 1.00 21.61 C ATOM 67 CG2 ILE A 635 2.929 4.205 -10.733 1.00 31.30 C ATOM 68 CD1 ILE A 635 4.363 2.044 -12.026 1.00 29.69 C ATOM 69 H ILE A 635 1.167 0.740 -9.633 1.00 0.00 H ATOM 70 N LEU A 636 1.378 3.291 -7.624 1.00 21.77 N ATOM 71 CA LEU A 636 1.111 4.179 -6.502 1.00 18.63 C ATOM 72 C LEU A 636 1.844 3.709 -5.242 1.00 16.42 C ATOM 73 O LEU A 636 2.405 4.520 -4.498 1.00 16.16 O ATOM 74 CB LEU A 636 -0.400 4.244 -6.264 1.00 17.25 C ATOM 75 CG LEU A 636 -0.868 5.076 -5.073 1.00 18.55 C ATOM 76 CD1 LEU A 636 -0.772 6.563 -5.348 1.00 27.32 C ATOM 77 CD2 LEU A 636 -2.283 4.679 -4.670 1.00 25.14 C ATOM 78 H LEU A 636 0.594 2.753 -8.046 1.00 0.00 H ATOM 79 N LEU A 637 1.863 2.396 -5.007 1.00 17.11 N ATOM 80 CA LEU A 637 2.577 1.849 -3.863 1.00 19.32 C ATOM 81 C LEU A 637 4.083 2.041 -4.012 1.00 18.65 C ATOM 82 O LEU A 637 4.784 2.296 -3.026 1.00 19.46 O ATOM 83 CB LEU A 637 2.230 0.372 -3.694 1.00 22.77 C ATOM 84 CG LEU A 637 0.871 0.019 -3.089 1.00 18.41 C ATOM 85 CD1 LEU A 637 0.913 -1.404 -2.564 1.00 20.79 C ATOM 86 CD2 LEU A 637 0.479 0.987 -1.966 1.00 20.09 C ATOM 87 H LEU A 637 1.360 1.753 -5.651 1.00 0.00 H ATOM 88 N ARG A 638 4.606 1.929 -5.235 1.00 19.59 N ATOM 89 CA ARG A 638 6.019 2.232 -5.432 1.00 15.45 C ATOM 90 C ARG A 638 6.320 3.688 -5.110 1.00 16.79 C ATOM 91 O ARG A 638 7.317 3.997 -4.450 1.00 21.75 O ATOM 92 CB ARG A 638 6.430 1.921 -6.870 1.00 18.54 C ATOM 93 CG ARG A 638 6.435 0.453 -7.172 1.00 24.55 C ATOM 94 CD ARG A 638 6.974 0.200 -8.552 1.00 25.01 C ATOM 95 NE ARG A 638 6.890 -1.214 -8.887 1.00 35.38 N ATOM 96 CZ ARG A 638 7.895 -2.070 -8.767 1.00 39.26 C ATOM 97 NH1 ARG A 638 9.068 -1.659 -8.313 1.00 40.70 N ATOM 98 NH2 ARG A 638 7.723 -3.341 -9.096 1.00 44.41 N ATOM 99 HE ARG A 638 5.983 -1.576 -9.244 1.00 0.00 H ATOM 100 HH12 ARG A 638 9.855 -2.333 -8.220 1.00 0.00 H ATOM 101 HH11 ARG A 638 9.203 -0.662 -8.049 1.00 0.00 H ATOM 102 HH22 ARG A 638 8.511 -4.014 -9.002 1.00 0.00 H ATOM 103 HH21 ARG A 638 6.800 -3.667 -9.448 1.00 0.00 H ATOM 104 H ARG A 638 4.014 1.630 -6.036 1.00 0.00 H ATOM 105 N LYS A 639 5.485 4.604 -5.598 1.00 18.87 N ATOM 106 CA LYS A 639 5.726 6.021 -5.337 1.00 17.21 C ATOM 107 C LYS A 639 5.659 6.306 -3.849 1.00 19.03 C ATOM 108 O LYS A 639 6.498 7.030 -3.294 1.00 21.18 O ATOM 109 CB LYS A 639 4.691 6.868 -6.067 1.00 18.90 C ATOM 110 CG LYS A 639 4.957 8.350 -5.995 1.00 23.28 C ATOM 111 CD LYS A 639 3.680 9.137 -6.216 1.00 20.38 C ATOM 112 CE LYS A 639 3.972 10.617 -6.289 1.00 25.17 C ATOM 113 NZ LYS A 639 2.894 11.337 -7.008 1.00 31.24 N ATOM 114 HZ1 LYS A 639 2.815 10.964 -7.976 1.00 0.00 H ATOM 115 HZ2 LYS A 639 1.993 11.199 -6.508 1.00 0.00 H ATOM 116 HZ3 LYS A 639 3.120 12.351 -7.043 1.00 0.00 H ATOM 117 H LYS A 639 4.663 4.311 -6.164 1.00 0.00 H ATOM 118 N THR A 640 4.673 5.712 -3.194 1.00 17.81 N ATOM 119 CA THR A 640 4.467 5.938 -1.776 1.00 14.72 C ATOM 120 C THR A 640 5.624 5.393 -0.948 1.00 19.33 C ATOM 121 O THR A 640 6.049 6.029 0.022 1.00 14.94 O ATOM 122 CB THR A 640 3.146 5.301 -1.351 1.00 12.46 C ATOM 123 OG1 THR A 640 2.080 5.785 -2.194 1.00 20.30 O ATOM 124 CG2 THR A 640 2.868 5.655 0.108 1.00 14.29 C ATOM 125 HG1 THR A 640 2.272 5.547 -3.136 1.00 0.00 H ATOM 126 H THR A 640 4.034 5.071 -3.706 1.00 0.00 H ATOM 127 N LEU A 641 6.123 4.201 -1.297 1.00 19.33 N ATOM 128 CA LEU A 641 7.269 3.634 -0.594 1.00 14.84 C ATOM 129 C LEU A 641 8.491 4.531 -0.737 1.00 16.68 C ATOM 130 O LEU A 641 9.203 4.786 0.242 1.00 21.80 O ATOM 131 CB LEU A 641 7.556 2.217 -1.107 1.00 15.35 C ATOM 132 CG LEU A 641 8.663 1.406 -0.426 1.00 16.80 C ATOM 133 CD1 LEU A 641 8.544 1.389 1.091 1.00 23.35 C ATOM 134 CD2 LEU A 641 8.725 -0.028 -0.957 1.00 20.54 C ATOM 135 H LEU A 641 5.688 3.672 -2.080 1.00 0.00 H ATOM 136 N GLU A 642 8.754 5.011 -1.956 1.00 22.15 N ATOM 137 CA GLU A 642 9.810 5.998 -2.166 1.00 21.68 C ATOM 138 C GLU A 642 9.631 7.196 -1.244 1.00 18.19 C ATOM 139 O GLU A 642 10.586 7.663 -0.605 1.00 20.35 O ATOM 140 CB GLU A 642 9.808 6.463 -3.625 1.00 23.98 C ATOM 141 CG GLU A 642 10.252 5.420 -4.631 1.00 34.17 C ATOM 142 CD GLU A 642 10.597 6.033 -5.987 1.00 36.27 C ATOM 143 OE1 GLU A 642 11.271 5.357 -6.791 1.00 36.95 O ATOM 144 OE2 GLU A 642 10.194 7.190 -6.246 1.00 33.38 O ATOM 145 H GLU A 642 8.198 4.676 -2.768 1.00 0.00 H ATOM 146 N GLN A 643 8.406 7.706 -1.162 1.00 15.81 N ATOM 147 CA GLN A 643 8.162 8.881 -0.333 1.00 21.19 C ATOM 148 C GLN A 643 8.445 8.602 1.140 1.00 17.86 C ATOM 149 O GLN A 643 8.914 9.491 1.859 1.00 21.44 O ATOM 150 CB GLN A 643 6.731 9.375 -0.529 1.00 18.94 C ATOM 151 CG GLN A 643 6.521 10.034 -1.887 1.00 22.53 C ATOM 152 CD GLN A 643 5.094 10.460 -2.101 1.00 26.57 C ATOM 153 OE1 GLN A 643 4.164 9.738 -1.744 1.00 23.72 O ATOM 154 NE2 GLN A 643 4.908 11.639 -2.687 1.00 25.01 N ATOM 155 HE22 GLN A 643 5.727 12.214 -2.971 1.00 0.00 H ATOM 156 HE21 GLN A 643 3.943 11.987 -2.861 1.00 0.00 H ATOM 157 H GLN A 643 7.623 7.268 -1.688 1.00 0.00 H ATOM 158 N LEU A 644 8.146 7.383 1.617 1.00 20.24 N ATOM 159 CA LEU A 644 8.402 7.066 3.024 1.00 19.26 C ATOM 160 C LEU A 644 9.894 6.919 3.297 1.00 18.88 C ATOM 161 O LEU A 644 10.381 7.341 4.354 1.00 22.47 O ATOM 162 CB LEU A 644 7.665 5.790 3.439 1.00 13.23 C ATOM 163 CG LEU A 644 6.140 5.811 3.314 1.00 18.29 C ATOM 164 CD1 LEU A 644 5.589 4.390 3.338 1.00 20.94 C ATOM 165 CD2 LEU A 644 5.518 6.644 4.431 1.00 23.10 C ATOM 166 H LEU A 644 7.733 6.665 0.988 1.00 0.00 H ATOM 167 N GLN A 645 10.630 6.296 2.373 1.00 16.37 N ATOM 168 CA GLN A 645 12.079 6.190 2.524 1.00 22.53 C ATOM 169 C GLN A 645 12.741 7.559 2.550 1.00 19.97 C ATOM 170 O GLN A 645 13.714 7.761 3.287 1.00 22.43 O ATOM 171 CB GLN A 645 12.664 5.333 1.406 1.00 26.74 C ATOM 172 CG GLN A 645 12.233 3.890 1.497 1.00 25.43 C ATOM 173 CD GLN A 645 13.336 2.933 1.112 1.00 37.65 C ATOM 174 OE1 GLN A 645 13.205 2.189 0.144 1.00 41.06 O ATOM 175 NE2 GLN A 645 14.433 2.940 1.877 1.00 36.33 N ATOM 176 HE22 GLN A 645 14.498 3.589 2.687 1.00 0.00 H ATOM 177 HE21 GLN A 645 15.221 2.297 1.662 1.00 0.00 H ATOM 178 H GLN A 645 10.167 5.883 1.538 1.00 0.00 H ATOM 179 N GLU A 646 12.201 8.516 1.793 1.00 17.41 N ATOM 180 CA GLU A 646 12.725 9.878 1.802 1.00 25.16 C ATOM 181 C GLU A 646 12.682 10.498 3.194 1.00 24.39 C ATOM 182 O GLU A 646 13.552 11.303 3.540 1.00 19.27 O ATOM 183 CB GLU A 646 11.936 10.748 0.824 1.00 27.32 C ATOM 184 CG GLU A 646 12.308 10.552 -0.648 1.00 43.07 C ATOM 185 CD GLU A 646 11.369 11.292 -1.592 1.00 49.13 C ATOM 186 OE1 GLU A 646 10.973 12.432 -1.272 1.00 51.38 O ATOM 187 OE2 GLU A 646 11.023 10.731 -2.655 1.00 54.86 O ATOM 188 H GLU A 646 11.390 8.286 1.184 1.00 0.00 H ATOM 189 N LYS A 647 11.673 10.157 3.996 1.00 23.18 N ATOM 190 CA LYS A 647 11.551 10.707 5.338 1.00 22.51 C ATOM 191 C LYS A 647 12.526 10.068 6.322 1.00 20.78 C ATOM 192 O LYS A 647 12.846 10.675 7.354 1.00 20.76 O ATOM 193 CB LYS A 647 10.113 10.546 5.828 1.00 17.24 C ATOM 194 CG LYS A 647 9.065 11.139 4.892 1.00 23.52 C ATOM 195 CD LYS A 647 9.257 12.649 4.721 1.00 28.15 C ATOM 196 CE LYS A 647 7.947 13.353 4.362 1.00 35.26 C ATOM 197 NZ LYS A 647 8.172 14.687 3.737 1.00 34.67 N ATOM 198 HZ1 LYS A 647 8.693 15.296 4.400 1.00 0.00 H ATOM 199 HZ2 LYS A 647 8.725 14.571 2.864 1.00 0.00 H ATOM 200 HZ3 LYS A 647 7.255 15.123 3.513 1.00 0.00 H ATOM 201 H LYS A 647 10.958 9.483 3.655 1.00 0.00 H ATOM 202 N ASP A 648 13.013 8.866 6.022 1.00 19.52 N ATOM 203 CA ASP A 648 14.034 8.202 6.840 1.00 25.28 C ATOM 204 C ASP A 648 15.409 8.659 6.337 1.00 24.19 C ATOM 205 O ASP A 648 16.148 7.941 5.659 1.00 23.45 O ATOM 206 CB ASP A 648 13.836 6.689 6.777 1.00 24.63 C ATOM 207 CG ASP A 648 14.987 5.891 7.370 1.00 20.71 C ATOM 208 OD1 ASP A 648 15.725 6.382 8.260 1.00 22.65 O ATOM 209 OD2 ASP A 648 15.127 4.721 6.953 1.00 22.63 O ATOM 210 H ASP A 648 12.656 8.379 5.175 1.00 0.00 H ATOM 211 N THR A 649 15.721 9.921 6.650 1.00 21.86 N ATOM 212 CA THR A 649 16.912 10.553 6.083 1.00 22.73 C ATOM 213 C THR A 649 18.184 9.833 6.508 1.00 22.22 C ATOM 214 O THR A 649 19.199 9.879 5.797 1.00 21.12 O ATOM 215 CB THR A 649 16.972 12.021 6.508 1.00 28.65 C ATOM 216 OG1 THR A 649 17.194 12.098 7.924 1.00 22.10 O ATOM 217 CG2 THR A 649 15.652 12.718 6.181 1.00 25.72 C ATOM 218 HG1 THR A 649 16.452 11.646 8.398 1.00 0.00 H ATOM 219 H THR A 649 15.113 10.457 7.301 1.00 0.00 H ATOM 220 N GLY A 650 18.158 9.190 7.670 1.00 19.00 N ATOM 221 CA GLY A 650 19.300 8.422 8.123 1.00 27.88 C ATOM 222 C GLY A 650 19.397 7.033 7.538 1.00 26.36 C ATOM 223 O GLY A 650 20.406 6.357 7.761 1.00 23.05 O ATOM 224 H GLY A 650 17.305 9.239 8.263 1.00 0.00 H ATOM 225 N ASN A 651 18.375 6.600 6.797 1.00 19.47 N ATOM 226 CA ASN A 651 18.325 5.270 6.184 1.00 23.82 C ATOM 227 C ASN A 651 18.348 4.166 7.234 1.00 19.42 C ATOM 228 O ASN A 651 18.731 3.029 6.953 1.00 22.41 O ATOM 229 CB ASN A 651 19.464 5.056 5.174 1.00 25.18 C ATOM 230 CG ASN A 651 19.259 5.815 3.850 1.00 27.03 C ATOM 231 OD1 ASN A 651 18.268 6.504 3.636 1.00 27.56 O ATOM 232 ND2 ASN A 651 20.225 5.685 2.963 1.00 20.93 N ATOM 233 HD22 ASN A 651 21.052 5.092 3.178 1.00 0.00 H ATOM 234 HD21 ASN A 651 20.160 6.175 2.048 1.00 0.00 H ATOM 235 H ASN A 651 17.570 7.241 6.646 1.00 0.00 H ATOM 236 N ILE A 652 17.930 4.482 8.460 1.00 17.55 N ATOM 237 CA ILE A 652 18.042 3.498 9.537 1.00 25.04 C ATOM 238 C ILE A 652 16.968 2.429 9.458 1.00 20.23 C ATOM 239 O ILE A 652 17.097 1.385 10.114 1.00 25.91 O ATOM 240 CB ILE A 652 18.000 4.163 10.923 1.00 24.74 C ATOM 241 CG1 ILE A 652 16.633 4.771 11.196 1.00 32.68 C ATOM 242 CG2 ILE A 652 19.085 5.224 11.047 1.00 31.87 C ATOM 243 CD1 ILE A 652 16.461 5.138 12.658 1.00 35.25 C ATOM 244 H ILE A 652 17.527 5.422 8.650 1.00 0.00 H ATOM 245 N PHE A 653 15.925 2.655 8.660 1.00 19.57 N ATOM 246 CA PHE A 653 14.886 1.665 8.408 1.00 19.23 C ATOM 247 C PHE A 653 14.965 1.092 7.009 1.00 18.24 C ATOM 248 O PHE A 653 14.028 0.427 6.573 1.00 19.46 O ATOM 249 CB PHE A 653 13.509 2.289 8.625 1.00 18.40 C ATOM 250 CG PHE A 653 13.346 2.888 9.972 1.00 17.20 C ATOM 251 CD1 PHE A 653 13.257 2.075 11.083 1.00 14.55 C ATOM 252 CD2 PHE A 653 13.299 4.262 10.137 1.00 19.74 C ATOM 253 CE1 PHE A 653 13.116 2.627 12.351 1.00 23.01 C ATOM 254 CE2 PHE A 653 13.154 4.818 11.404 1.00 18.78 C ATOM 255 CZ PHE A 653 13.066 4.000 12.508 1.00 25.95 C ATOM 256 H PHE A 653 15.849 3.582 8.195 1.00 0.00 H ATOM 257 N SER A 654 16.060 1.330 6.291 1.00 22.12 N ATOM 258 CA SER A 654 16.113 0.924 4.893 1.00 22.44 C ATOM 259 C SER A 654 16.285 -0.584 4.730 1.00 25.04 C ATOM 260 O SER A 654 15.851 -1.139 3.715 1.00 28.10 O ATOM 261 CB SER A 654 17.247 1.662 4.177 1.00 24.74 C ATOM 262 OG SER A 654 18.472 1.478 4.852 1.00 24.00 O ATOM 263 HG SER A 654 18.395 1.829 5.774 1.00 0.00 H ATOM 264 H SER A 654 16.876 1.805 6.727 1.00 0.00 H ATOM 265 N GLU A 655 16.898 -1.254 5.695 1.00 22.32 N ATOM 266 CA GLU A 655 17.199 -2.677 5.630 1.00 23.24 C ATOM 267 C GLU A 655 16.772 -3.353 6.920 1.00 22.44 C ATOM 268 O GLU A 655 16.531 -2.681 7.931 1.00 26.36 O ATOM 269 CB GLU A 655 18.705 -2.890 5.403 1.00 31.72 C ATOM 270 CG GLU A 655 19.232 -2.276 4.129 1.00 34.57 C ATOM 271 CD GLU A 655 20.738 -2.318 4.056 1.00 43.81 C ATOM 272 OE1 GLU A 655 21.303 -3.426 3.938 1.00 48.31 O ATOM 273 OE2 GLU A 655 21.356 -1.238 4.131 1.00 49.90 O ATOM 274 H GLU A 655 17.181 -0.733 6.549 1.00 0.00 H ATOM 275 N PRO A 656 16.671 -4.685 6.933 1.00 23.46 N ATOM 276 CA PRO A 656 16.352 -5.377 8.190 1.00 21.61 C ATOM 277 C PRO A 656 17.340 -5.025 9.291 1.00 25.17 C ATOM 278 O PRO A 656 18.543 -4.860 9.053 1.00 24.23 O ATOM 279 CB PRO A 656 16.442 -6.864 7.821 1.00 24.74 C ATOM 280 CG PRO A 656 16.302 -6.922 6.352 1.00 26.19 C ATOM 281 CD PRO A 656 16.804 -5.622 5.799 1.00 24.26 C ATOM 282 N VAL A 657 16.817 -4.903 10.506 1.00 25.03 N ATOM 283 CA VAL A 657 17.656 -4.768 11.689 1.00 19.77 C ATOM 284 C VAL A 657 18.636 -5.933 11.663 1.00 24.81 C ATOM 285 O VAL A 657 18.216 -7.084 11.458 1.00 23.90 O ATOM 286 CB VAL A 657 16.815 -4.753 12.975 1.00 23.76 C ATOM 287 CG1 VAL A 657 17.720 -4.721 14.189 1.00 30.86 C ATOM 288 CG2 VAL A 657 15.891 -3.555 12.964 1.00 21.21 C ATOM 289 H VAL A 657 15.783 -4.904 10.615 1.00 0.00 H ATOM 290 N PRO A 658 19.954 -5.675 11.808 1.00 27.85 N ATOM 291 CA PRO A 658 20.940 -6.748 11.632 1.00 31.27 C ATOM 292 C PRO A 658 20.931 -7.731 12.785 1.00 27.25 C ATOM 293 O PRO A 658 21.435 -7.439 13.874 1.00 34.40 O ATOM 294 CB PRO A 658 22.273 -5.993 11.538 1.00 36.26 C ATOM 295 CG PRO A 658 22.036 -4.717 12.259 1.00 31.85 C ATOM 296 CD PRO A 658 20.587 -4.364 12.019 1.00 23.07 C ATOM 297 N LEU A 659 20.381 -8.921 12.530 1.00 29.17 N ATOM 298 CA LEU A 659 20.185 -9.897 13.593 1.00 32.04 C ATOM 299 C LEU A 659 21.503 -10.299 14.246 1.00 41.92 C ATOM 300 O LEU A 659 21.521 -10.669 15.425 1.00 37.81 O ATOM 301 CB LEU A 659 19.449 -11.120 13.043 1.00 29.77 C ATOM 302 CG LEU A 659 17.981 -10.905 12.639 1.00 27.58 C ATOM 303 CD1 LEU A 659 17.327 -12.241 12.324 1.00 28.54 C ATOM 304 CD2 LEU A 659 17.186 -10.163 13.714 1.00 27.50 C ATOM 305 H LEU A 659 20.089 -9.154 11.559 1.00 0.00 H ATOM 306 N SER A 660 22.612 -10.225 13.507 1.00 46.69 N ATOM 307 CA SER A 660 23.913 -10.508 14.106 1.00 49.77 C ATOM 308 C SER A 660 24.265 -9.476 15.169 1.00 50.68 C ATOM 309 O SER A 660 24.838 -9.817 16.210 1.00 52.34 O ATOM 310 CB SER A 660 24.994 -10.546 13.027 1.00 48.82 C ATOM 311 OG SER A 660 25.638 -9.286 12.912 1.00 45.73 O ATOM 312 HG SER A 660 26.333 -9.335 12.208 1.00 0.00 H ATOM 313 H SER A 660 22.549 -9.965 12.502 1.00 0.00 H ATOM 314 N GLU A 661 23.927 -8.207 14.926 1.00 47.79 N ATOM 315 CA GLU A 661 24.295 -7.157 15.868 1.00 46.87 C ATOM 316 C GLU A 661 23.410 -7.164 17.108 1.00 41.50 C ATOM 317 O GLU A 661 23.865 -6.758 18.183 1.00 45.69 O ATOM 318 CB GLU A 661 24.248 -5.782 15.185 1.00 47.61 C ATOM 319 CG GLU A 661 25.143 -5.664 13.948 1.00 48.20 C ATOM 320 CD GLU A 661 26.378 -4.787 14.172 1.00 51.21 C ATOM 321 OE1 GLU A 661 27.079 -4.471 13.182 1.00 41.80 O ATOM 322 OE2 GLU A 661 26.653 -4.423 15.337 1.00 49.70 O ATOM 323 H GLU A 661 23.400 -7.967 14.062 1.00 0.00 H ATOM 324 N VAL A 662 22.161 -7.611 16.987 1.00 42.86 N ATOM 325 CA VAL A 662 21.243 -7.697 18.125 1.00 40.47 C ATOM 326 C VAL A 662 20.590 -9.078 18.144 1.00 44.05 C ATOM 327 O VAL A 662 19.442 -9.236 17.704 1.00 35.96 O ATOM 328 CB VAL A 662 20.190 -6.574 18.089 1.00 47.34 C ATOM 329 CG1 VAL A 662 20.807 -5.255 18.530 1.00 42.61 C ATOM 330 CG2 VAL A 662 19.608 -6.420 16.688 1.00 51.16 C ATOM 331 H VAL A 662 21.825 -7.910 16.049 1.00 0.00 H ATOM 332 N PRO A 663 21.270 -10.105 18.663 1.00 47.19 N ATOM 333 CA PRO A 663 20.727 -11.470 18.562 1.00 45.28 C ATOM 334 C PRO A 663 19.480 -11.715 19.398 1.00 40.48 C ATOM 335 O PRO A 663 18.845 -12.763 19.223 1.00 39.17 O ATOM 336 CB PRO A 663 21.893 -12.345 19.037 1.00 51.03 C ATOM 337 CG PRO A 663 22.695 -11.454 19.931 1.00 51.67 C ATOM 338 CD PRO A 663 22.564 -10.064 19.367 1.00 52.37 C ATOM 339 N ASP A 664 19.106 -10.803 20.293 1.00 42.55 N ATOM 340 CA ASP A 664 17.889 -10.958 21.080 1.00 38.99 C ATOM 341 C ASP A 664 16.666 -10.353 20.404 1.00 29.44 C ATOM 342 O ASP A 664 15.572 -10.416 20.973 1.00 29.98 O ATOM 343 CB ASP A 664 18.061 -10.332 22.467 1.00 43.20 C ATOM 344 CG ASP A 664 18.269 -8.824 22.416 1.00 51.95 C ATOM 345 OD1 ASP A 664 18.209 -8.228 21.319 1.00 53.14 O ATOM 346 OD2 ASP A 664 18.478 -8.223 23.489 1.00 52.75 O ATOM 347 H ASP A 664 19.697 -9.959 20.434 1.00 0.00 H ATOM 348 N TYR A 665 16.836 -9.769 19.215 1.00 27.64 N ATOM 349 CA TYR A 665 15.754 -9.033 18.566 1.00 26.78 C ATOM 350 C TYR A 665 14.519 -9.909 18.365 1.00 32.80 C ATOM 351 O TYR A 665 13.393 -9.490 18.652 1.00 33.35 O ATOM 352 CB TYR A 665 16.252 -8.463 17.230 1.00 27.46 C ATOM 353 CG TYR A 665 15.317 -7.432 16.620 1.00 24.74 C ATOM 354 CD1 TYR A 665 15.240 -6.145 17.135 1.00 29.20 C ATOM 355 CD2 TYR A 665 14.508 -7.755 15.534 1.00 27.48 C ATOM 356 CE1 TYR A 665 14.382 -5.196 16.580 1.00 26.33 C ATOM 357 CE2 TYR A 665 13.644 -6.816 14.970 1.00 29.33 C ATOM 358 CZ TYR A 665 13.582 -5.544 15.507 1.00 24.95 C ATOM 359 OH TYR A 665 12.742 -4.602 14.956 1.00 19.97 O ATOM 360 HH TYR A 665 12.823 -3.754 15.460 1.00 0.00 H ATOM 361 H TYR A 665 17.759 -9.840 18.741 1.00 0.00 H ATOM 362 N LEU A 666 14.709 -11.138 17.887 1.00 36.13 N ATOM 363 CA LEU A 666 13.557 -11.972 17.570 1.00 33.61 C ATOM 364 C LEU A 666 12.865 -12.521 18.811 1.00 36.19 C ATOM 365 O LEU A 666 11.767 -13.082 18.689 1.00 30.56 O ATOM 366 CB LEU A 666 13.982 -13.116 16.645 1.00 27.59 C ATOM 367 CG LEU A 666 14.533 -12.668 15.287 1.00 35.39 C ATOM 368 CD1 LEU A 666 14.805 -13.866 14.391 1.00 32.40 C ATOM 369 CD2 LEU A 666 13.567 -11.705 14.620 1.00 28.60 C ATOM 370 H LEU A 666 15.673 -11.500 17.741 1.00 0.00 H ATOM 371 N ASP A 667 13.471 -12.367 19.995 1.00 41.27 N ATOM 372 CA ASP A 667 12.786 -12.693 21.244 1.00 42.46 C ATOM 373 C ASP A 667 11.727 -11.662 21.604 1.00 32.86 C ATOM 374 O ASP A 667 10.789 -11.987 22.336 1.00 26.57 O ATOM 375 CB ASP A 667 13.790 -12.807 22.390 1.00 50.04 C ATOM 376 CG ASP A 667 14.632 -14.060 22.301 1.00 62.10 C ATOM 377 OD1 ASP A 667 14.095 -15.102 21.867 1.00 66.82 O ATOM 378 OD2 ASP A 667 15.828 -14.001 22.660 1.00 64.27 O ATOM 379 H ASP A 667 14.447 -12.009 20.026 1.00 0.00 H ATOM 380 N HIS A 668 11.855 -10.432 21.110 1.00 31.49 N ATOM 381 CA HIS A 668 10.862 -9.392 21.341 1.00 29.61 C ATOM 382 C HIS A 668 9.973 -9.119 20.131 1.00 24.98 C ATOM 383 O HIS A 668 8.804 -8.759 20.302 1.00 30.15 O ATOM 384 CB HIS A 668 11.553 -8.086 21.746 1.00 35.63 C ATOM 385 CG HIS A 668 12.491 -8.230 22.904 1.00 49.47 C ATOM 386 ND1 HIS A 668 12.122 -7.939 24.200 1.00 52.02 N ATOM 387 CD2 HIS A 668 13.783 -8.630 22.962 1.00 51.21 C ATOM 388 CE1 HIS A 668 13.147 -8.153 25.006 1.00 54.89 C ATOM 389 NE2 HIS A 668 14.166 -8.574 24.280 1.00 53.68 N ATOM 390 H HIS A 668 12.694 -10.206 20.539 1.00 0.00 H ATOM 391 N ILE A 669 10.491 -9.273 18.919 1.00 24.27 N ATOM 392 CA ILE A 669 9.814 -8.815 17.713 1.00 24.13 C ATOM 393 C ILE A 669 9.419 -10.037 16.893 1.00 30.51 C ATOM 394 O ILE A 669 10.283 -10.746 16.365 1.00 30.29 O ATOM 395 CB ILE A 669 10.701 -7.866 16.898 1.00 24.22 C ATOM 396 CG1 ILE A 669 11.064 -6.621 17.720 1.00 25.80 C ATOM 397 CG2 ILE A 669 10.032 -7.519 15.569 1.00 24.24 C ATOM 398 CD1 ILE A 669 9.864 -5.830 18.238 1.00 23.42 C ATOM 399 H ILE A 669 11.416 -9.739 18.826 1.00 0.00 H ATOM 400 N LYS A 670 8.113 -10.275 16.761 1.00 22.23 N ATOM 401 CA LYS A 670 7.661 -11.458 16.038 1.00 24.53 C ATOM 402 C LYS A 670 7.784 -11.293 14.528 1.00 25.10 C ATOM 403 O LYS A 670 8.086 -12.269 13.834 1.00 25.99 O ATOM 404 CB LYS A 670 6.217 -11.803 16.417 1.00 30.89 C ATOM 405 CG LYS A 670 5.227 -10.674 16.210 1.00 35.95 C ATOM 406 CD LYS A 670 3.822 -11.089 16.606 1.00 36.55 C ATOM 407 CE LYS A 670 3.654 -11.049 18.118 1.00 29.08 C ATOM 408 NZ LYS A 670 3.721 -9.672 18.666 1.00 25.68 N ATOM 409 HZ1 LYS A 670 4.645 -9.253 18.437 1.00 0.00 H ATOM 410 HZ2 LYS A 670 2.964 -9.096 18.246 1.00 0.00 H ATOM 411 HZ3 LYS A 670 3.601 -9.705 19.698 1.00 0.00 H ATOM 412 H LYS A 670 7.419 -9.619 17.173 1.00 0.00 H ATOM 413 N LYS A 671 7.570 -10.084 13.995 1.00 19.82 N ATOM 414 CA LYS A 671 7.639 -9.847 12.552 1.00 19.80 C ATOM 415 C LYS A 671 8.453 -8.592 12.272 1.00 21.44 C ATOM 416 O LYS A 671 7.897 -7.487 12.194 1.00 21.44 O ATOM 417 CB LYS A 671 6.243 -9.736 11.937 1.00 20.05 C ATOM 418 CG LYS A 671 6.255 -9.701 10.405 1.00 31.09 C ATOM 419 CD LYS A 671 4.852 -9.645 9.813 1.00 30.77 C ATOM 420 CE LYS A 671 4.903 -9.590 8.289 1.00 29.85 C ATOM 421 NZ LYS A 671 3.623 -9.109 7.698 1.00 37.50 N ATOM 422 HZ1 LYS A 671 2.853 -9.752 7.972 1.00 0.00 H ATOM 423 HZ2 LYS A 671 3.419 -8.152 8.049 1.00 0.00 H ATOM 424 HZ3 LYS A 671 3.707 -9.089 6.662 1.00 0.00 H ATOM 425 H LYS A 671 7.348 -9.288 14.626 1.00 0.00 H ATOM 426 N PRO A 672 9.779 -8.721 12.122 1.00 24.61 N ATOM 427 CA PRO A 672 10.579 -7.566 11.694 1.00 19.51 C ATOM 428 C PRO A 672 10.079 -7.039 10.360 1.00 17.42 C ATOM 429 O PRO A 672 9.556 -7.785 9.524 1.00 21.50 O ATOM 430 CB PRO A 672 12.001 -8.127 11.571 1.00 23.81 C ATOM 431 CG PRO A 672 12.004 -9.368 12.413 1.00 28.59 C ATOM 432 CD PRO A 672 10.604 -9.916 12.370 1.00 25.93 C ATOM 433 N MET A 673 10.239 -5.731 10.168 1.00 20.08 N ATOM 434 CA MET A 673 9.908 -5.089 8.903 1.00 19.86 C ATOM 435 C MET A 673 10.909 -3.975 8.621 1.00 16.92 C ATOM 436 O MET A 673 11.529 -3.420 9.530 1.00 20.94 O ATOM 437 CB MET A 673 8.473 -4.537 8.910 1.00 22.34 C ATOM 438 CG MET A 673 7.886 -4.193 7.517 1.00 21.64 C ATOM 439 SD MET A 673 8.252 -5.378 6.208 1.00 21.04 S ATOM 440 CE MET A 673 7.338 -6.829 6.742 1.00 20.70 C ATOM 441 H MET A 673 10.612 -5.150 10.946 1.00 0.00 H ATOM 442 N ASP A 674 11.043 -3.643 7.342 1.00 15.46 N ATOM 443 CA ASP A 674 11.920 -2.569 6.899 1.00 16.02 C ATOM 444 C ASP A 674 11.548 -2.249 5.456 1.00 17.88 C ATOM 445 O ASP A 674 10.785 -2.977 4.813 1.00 20.05 O ATOM 446 CB ASP A 674 13.393 -2.968 7.003 1.00 15.13 C ATOM 447 CG ASP A 674 13.720 -4.137 6.096 1.00 22.07 C ATOM 448 OD1 ASP A 674 13.559 -5.295 6.541 1.00 21.86 O ATOM 449 OD2 ASP A 674 14.080 -3.899 4.922 1.00 23.57 O ATOM 450 H ASP A 674 10.500 -4.171 6.629 1.00 0.00 H ATOM 451 N PHE A 675 12.123 -1.155 4.947 1.00 19.09 N ATOM 452 CA PHE A 675 11.717 -0.650 3.641 1.00 18.52 C ATOM 453 C PHE A 675 12.158 -1.569 2.509 1.00 21.95 C ATOM 454 O PHE A 675 11.457 -1.680 1.495 1.00 21.35 O ATOM 455 CB PHE A 675 12.278 0.747 3.435 1.00 18.44 C ATOM 456 CG PHE A 675 11.581 1.802 4.243 1.00 19.59 C ATOM 457 CD1 PHE A 675 10.200 1.854 4.292 1.00 15.99 C ATOM 458 CD2 PHE A 675 12.310 2.733 4.955 1.00 24.18 C ATOM 459 CE1 PHE A 675 9.555 2.826 5.034 1.00 14.95 C ATOM 460 CE2 PHE A 675 11.670 3.701 5.702 1.00 19.30 C ATOM 461 CZ PHE A 675 10.292 3.748 5.731 1.00 18.37 C ATOM 462 H PHE A 675 12.864 -0.662 5.485 1.00 0.00 H ATOM 463 N PHE A 676 13.306 -2.224 2.652 1.00 19.01 N ATOM 464 CA PHE A 676 13.726 -3.169 1.621 1.00 22.21 C ATOM 465 C PHE A 676 12.790 -4.369 1.575 1.00 23.28 C ATOM 466 O PHE A 676 12.352 -4.791 0.495 1.00 26.27 O ATOM 467 CB PHE A 676 15.166 -3.607 1.872 1.00 25.84 C ATOM 468 CG PHE A 676 15.698 -4.561 0.847 1.00 27.07 C ATOM 469 CD1 PHE A 676 16.179 -4.099 -0.358 1.00 31.66 C ATOM 470 CD2 PHE A 676 15.730 -5.918 1.103 1.00 29.38 C ATOM 471 CE1 PHE A 676 16.674 -4.974 -1.305 1.00 35.67 C ATOM 472 CE2 PHE A 676 16.219 -6.800 0.161 1.00 34.09 C ATOM 473 CZ PHE A 676 16.697 -6.325 -1.043 1.00 35.62 C ATOM 474 H PHE A 676 13.900 -2.065 3.491 1.00 0.00 H ATOM 475 N THR A 677 12.463 -4.921 2.746 1.00 20.29 N ATOM 476 CA THR A 677 11.507 -6.021 2.821 1.00 22.10 C ATOM 477 C THR A 677 10.143 -5.604 2.281 1.00 29.33 C ATOM 478 O THR A 677 9.459 -6.402 1.628 1.00 31.01 O ATOM 479 CB THR A 677 11.399 -6.512 4.266 1.00 19.61 C ATOM 480 OG1 THR A 677 12.687 -6.966 4.698 1.00 24.94 O ATOM 481 CG2 THR A 677 10.412 -7.663 4.381 1.00 17.66 C ATOM 482 HG1 THR A 677 13.334 -6.219 4.645 1.00 0.00 H ATOM 483 H THR A 677 12.897 -4.561 3.620 1.00 0.00 H ATOM 484 N MET A 678 9.735 -4.355 2.531 1.00 21.70 N ATOM 485 CA MET A 678 8.493 -3.854 1.951 1.00 16.79 C ATOM 486 C MET A 678 8.573 -3.826 0.426 1.00 18.17 C ATOM 487 O MET A 678 7.600 -4.161 -0.266 1.00 17.61 O ATOM 488 CB MET A 678 8.178 -2.459 2.499 1.00 16.24 C ATOM 489 CG MET A 678 7.670 -2.456 3.935 1.00 17.27 C ATOM 490 SD MET A 678 6.934 -0.871 4.427 1.00 18.71 S ATOM 491 CE MET A 678 5.496 -0.870 3.372 1.00 15.51 C ATOM 492 H MET A 678 10.306 -3.737 3.142 1.00 0.00 H ATOM 493 N LYS A 679 9.724 -3.426 -0.121 1.00 19.83 N ATOM 494 CA LYS A 679 9.856 -3.453 -1.571 1.00 19.75 C ATOM 495 C LYS A 679 9.784 -4.881 -2.092 1.00 26.06 C ATOM 496 O LYS A 679 9.129 -5.145 -3.109 1.00 24.05 O ATOM 497 CB LYS A 679 11.151 -2.779 -2.027 1.00 23.97 C ATOM 498 CG LYS A 679 11.218 -2.675 -3.567 1.00 23.91 C ATOM 499 CD LYS A 679 12.314 -1.739 -4.063 1.00 33.78 C ATOM 500 CE LYS A 679 13.692 -2.384 -3.996 1.00 42.82 C ATOM 501 NZ LYS A 679 13.799 -3.629 -4.818 1.00 44.57 N ATOM 502 HZ1 LYS A 679 13.107 -4.327 -4.479 1.00 0.00 H ATOM 503 HZ2 LYS A 679 13.605 -3.403 -5.814 1.00 0.00 H ATOM 504 HZ3 LYS A 679 14.759 -4.019 -4.730 1.00 0.00 H ATOM 505 H LYS A 679 10.511 -3.102 0.477 1.00 0.00 H ATOM 506 N GLN A 680 10.422 -5.817 -1.389 1.00 23.03 N ATOM 507 CA GLN A 680 10.326 -7.224 -1.769 1.00 30.08 C ATOM 508 C GLN A 680 8.884 -7.705 -1.764 1.00 31.28 C ATOM 509 O GLN A 680 8.461 -8.419 -2.682 1.00 21.56 O ATOM 510 CB GLN A 680 11.167 -8.083 -0.831 1.00 35.64 C ATOM 511 CG GLN A 680 12.656 -7.938 -1.028 1.00 45.24 C ATOM 512 CD GLN A 680 13.442 -8.872 -0.133 1.00 50.60 C ATOM 513 OE1 GLN A 680 13.029 -9.170 0.989 1.00 55.23 O ATOM 514 NE2 GLN A 680 14.576 -9.352 -0.631 1.00 44.41 N ATOM 515 HE22 GLN A 680 14.885 -9.072 -1.584 1.00 0.00 H ATOM 516 HE21 GLN A 680 15.155 -10.008 -0.068 1.00 0.00 H ATOM 517 H GLN A 680 10.992 -5.543 -0.564 1.00 0.00 H ATOM 518 N ASN A 681 8.113 -7.338 -0.731 1.00 25.30 N ATOM 519 CA ASN A 681 6.720 -7.768 -0.673 1.00 23.79 C ATOM 520 C ASN A 681 5.896 -7.104 -1.771 1.00 22.86 C ATOM 521 O ASN A 681 5.016 -7.738 -2.372 1.00 22.96 O ATOM 522 CB ASN A 681 6.134 -7.465 0.716 1.00 24.74 C ATOM 523 CG ASN A 681 6.831 -8.237 1.837 1.00 29.08 C ATOM 524 OD1 ASN A 681 7.486 -9.249 1.595 1.00 29.15 O ATOM 525 ND2 ASN A 681 6.679 -7.764 3.072 1.00 24.06 N ATOM 526 HD22 ASN A 681 6.117 -6.904 3.234 1.00 0.00 H ATOM 527 HD21 ASN A 681 7.123 -8.254 3.875 1.00 0.00 H ATOM 528 H ASN A 681 8.507 -6.747 0.029 1.00 0.00 H ATOM 529 N LEU A 682 6.176 -5.829 -2.059 1.00 21.09 N ATOM 530 CA LEU A 682 5.442 -5.114 -3.099 1.00 21.35 C ATOM 531 C LEU A 682 5.635 -5.773 -4.461 1.00 30.46 C ATOM 532 O LEU A 682 4.666 -6.024 -5.186 1.00 26.58 O ATOM 533 CB LEU A 682 5.898 -3.650 -3.142 1.00 23.36 C ATOM 534 CG LEU A 682 5.186 -2.609 -4.021 1.00 31.00 C ATOM 535 CD1 LEU A 682 5.558 -1.206 -3.547 1.00 29.91 C ATOM 536 CD2 LEU A 682 5.509 -2.749 -5.510 1.00 33.30 C ATOM 537 H LEU A 682 6.928 -5.339 -1.534 1.00 0.00 H ATOM 538 N GLU A 683 6.888 -6.033 -4.839 1.00 31.76 N ATOM 539 CA GLU A 683 7.158 -6.591 -6.158 1.00 33.28 C ATOM 540 C GLU A 683 6.721 -8.044 -6.260 1.00 36.75 C ATOM 541 O GLU A 683 6.566 -8.556 -7.378 1.00 34.53 O ATOM 542 CB GLU A 683 8.646 -6.462 -6.491 1.00 27.22 C ATOM 543 CG GLU A 683 9.129 -5.023 -6.575 1.00 23.32 C ATOM 544 CD GLU A 683 10.595 -4.897 -6.985 1.00 39.27 C ATOM 545 OE1 GLU A 683 10.932 -3.922 -7.685 1.00 46.00 O ATOM 546 OE2 GLU A 683 11.409 -5.769 -6.614 1.00 41.47 O ATOM 547 H GLU A 683 7.676 -5.836 -4.189 1.00 0.00 H ATOM 548 N ALA A 684 6.525 -8.716 -5.125 1.00 29.22 N ATOM 549 CA ALA A 684 6.011 -10.076 -5.097 1.00 34.20 C ATOM 550 C ALA A 684 4.494 -10.122 -4.975 1.00 38.90 C ATOM 551 O ALA A 684 3.938 -11.189 -4.690 1.00 39.97 O ATOM 552 CB ALA A 684 6.656 -10.860 -3.955 1.00 20.64 C ATOM 553 H ALA A 684 6.749 -8.249 -4.223 1.00 0.00 H ATOM 554 N TYR A 685 3.822 -8.987 -5.180 1.00 38.05 N ATOM 555 CA TYR A 685 2.360 -8.898 -5.185 1.00 39.56 C ATOM 556 C TYR A 685 1.754 -9.298 -3.847 1.00 34.84 C ATOM 557 O TYR A 685 0.659 -9.861 -3.794 1.00 40.16 O ATOM 558 CB TYR A 685 1.758 -9.737 -6.318 1.00 38.49 C ATOM 559 CG TYR A 685 2.536 -9.635 -7.602 1.00 41.80 C ATOM 560 CD1 TYR A 685 2.532 -8.461 -8.344 1.00 43.81 C ATOM 561 CD2 TYR A 685 3.288 -10.709 -8.072 1.00 41.23 C ATOM 562 CE1 TYR A 685 3.246 -8.358 -9.515 1.00 45.01 C ATOM 563 CE2 TYR A 685 4.005 -10.616 -9.248 1.00 44.04 C ATOM 564 CZ TYR A 685 3.981 -9.439 -9.963 1.00 45.25 C ATOM 565 OH TYR A 685 4.694 -9.341 -11.131 1.00 46.81 O ATOM 566 HH TYR A 685 4.571 -8.438 -11.517 1.00 0.00 H ATOM 567 H TYR A 685 4.367 -8.117 -5.345 1.00 0.00 H ATOM 568 N ARG A 686 2.437 -9.006 -2.744 1.00 24.87 N ATOM 569 CA ARG A 686 1.858 -9.319 -1.449 1.00 28.64 C ATOM 570 C ARG A 686 0.984 -8.205 -0.895 1.00 29.92 C ATOM 571 O ARG A 686 0.272 -8.442 0.084 1.00 28.93 O ATOM 572 CB ARG A 686 2.951 -9.680 -0.444 1.00 42.69 C ATOM 573 CG ARG A 686 3.253 -11.169 -0.446 1.00 55.51 C ATOM 574 CD ARG A 686 4.387 -11.523 0.484 1.00 59.38 C ATOM 575 NE ARG A 686 5.670 -11.345 -0.182 1.00 61.62 N ATOM 576 CZ ARG A 686 6.833 -11.751 0.310 1.00 59.54 C ATOM 577 NH1 ARG A 686 6.880 -12.371 1.480 1.00 63.74 N ATOM 578 NH2 ARG A 686 7.950 -11.528 -0.367 1.00 51.48 N ATOM 579 HE ARG A 686 5.675 -10.867 -1.106 1.00 0.00 H ATOM 580 HH12 ARG A 686 7.793 -12.689 1.864 1.00 0.00 H ATOM 581 HH11 ARG A 686 6.004 -12.540 2.014 1.00 0.00 H ATOM 582 HH22 ARG A 686 8.863 -11.845 0.017 1.00 0.00 H ATOM 583 HH21 ARG A 686 7.914 -11.035 -1.282 1.00 0.00 H ATOM 584 H ARG A 686 3.374 -8.559 -2.808 1.00 0.00 H ATOM 585 N TYR A 687 0.988 -7.015 -1.501 1.00 25.51 N ATOM 586 CA TYR A 687 0.050 -5.955 -1.135 1.00 30.70 C ATOM 587 C TYR A 687 -1.001 -5.828 -2.234 1.00 28.01 C ATOM 588 O TYR A 687 -0.707 -5.347 -3.330 1.00 30.64 O ATOM 589 CB TYR A 687 0.760 -4.621 -0.913 1.00 25.63 C ATOM 590 CG TYR A 687 1.911 -4.678 0.053 1.00 19.77 C ATOM 591 CD1 TYR A 687 1.735 -5.148 1.352 1.00 17.98 C ATOM 592 CD2 TYR A 687 3.180 -4.255 -0.331 1.00 20.82 C ATOM 593 CE1 TYR A 687 2.789 -5.195 2.248 1.00 19.81 C ATOM 594 CE2 TYR A 687 4.237 -4.300 0.550 1.00 19.73 C ATOM 595 CZ TYR A 687 4.042 -4.773 1.837 1.00 20.83 C ATOM 596 OH TYR A 687 5.112 -4.806 2.708 1.00 23.18 O ATOM 597 HH TYR A 687 4.815 -5.166 3.581 1.00 0.00 H ATOM 598 H TYR A 687 1.680 -6.837 -2.257 1.00 0.00 H ATOM 599 N LEU A 688 -2.233 -6.233 -1.932 1.00 33.40 N ATOM 600 CA LEU A 688 -3.337 -6.075 -2.867 1.00 34.46 C ATOM 601 C LEU A 688 -4.292 -4.950 -2.490 1.00 29.31 C ATOM 602 O LEU A 688 -5.177 -4.615 -3.289 1.00 31.06 O ATOM 603 CB LEU A 688 -4.121 -7.388 -2.993 1.00 43.04 C ATOM 604 CG LEU A 688 -3.299 -8.618 -3.372 1.00 44.29 C ATOM 605 CD1 LEU A 688 -4.090 -9.889 -3.093 1.00 48.24 C ATOM 606 CD2 LEU A 688 -2.862 -8.544 -4.835 1.00 36.34 C ATOM 607 H LEU A 688 -2.410 -6.673 -1.006 1.00 0.00 H ATOM 608 N ASN A 689 -4.148 -4.366 -1.304 1.00 34.58 N ATOM 609 CA ASN A 689 -4.876 -3.154 -0.970 1.00 27.35 C ATOM 610 C ASN A 689 -3.994 -2.287 -0.082 1.00 17.75 C ATOM 611 O ASN A 689 -2.991 -2.743 0.471 1.00 18.50 O ATOM 612 CB ASN A 689 -6.226 -3.453 -0.302 1.00 30.41 C ATOM 613 CG ASN A 689 -6.107 -4.422 0.839 1.00 41.29 C ATOM 614 OD1 ASN A 689 -5.724 -4.043 1.939 1.00 42.00 O ATOM 615 ND2 ASN A 689 -6.459 -5.681 0.594 1.00 45.87 N ATOM 616 HD22 ASN A 689 -6.778 -5.956 -0.357 1.00 0.00 H ATOM 617 HD21 ASN A 689 -6.415 -6.390 1.353 1.00 0.00 H ATOM 618 H ASN A 689 -3.503 -4.784 -0.603 1.00 0.00 H ATOM 619 N PHE A 690 -4.361 -1.010 0.002 1.00 22.28 N ATOM 620 CA PHE A 690 -3.526 -0.045 0.701 1.00 19.00 C ATOM 621 C PHE A 690 -3.354 -0.415 2.169 1.00 19.37 C ATOM 622 O PHE A 690 -2.290 -0.167 2.745 1.00 20.81 O ATOM 623 CB PHE A 690 -4.128 1.350 0.568 1.00 21.53 C ATOM 624 CG PHE A 690 -3.173 2.448 0.882 1.00 20.51 C ATOM 625 CD1 PHE A 690 -2.280 2.902 -0.078 1.00 21.61 C ATOM 626 CD2 PHE A 690 -3.136 3.012 2.149 1.00 21.24 C ATOM 627 CE1 PHE A 690 -1.380 3.908 0.217 1.00 28.68 C ATOM 628 CE2 PHE A 690 -2.261 4.024 2.446 1.00 20.55 C ATOM 629 CZ PHE A 690 -1.367 4.473 1.474 1.00 24.69 C ATOM 630 H PHE A 690 -5.252 -0.700 -0.436 1.00 0.00 H ATOM 631 N ASP A 691 -4.394 -1.006 2.776 1.00 19.10 N ATOM 632 CA ASP A 691 -4.354 -1.423 4.183 1.00 21.38 C ATOM 633 C ASP A 691 -3.151 -2.304 4.497 1.00 23.77 C ATOM 634 O ASP A 691 -2.483 -2.130 5.528 1.00 18.87 O ATOM 635 CB ASP A 691 -5.630 -2.191 4.521 1.00 30.63 C ATOM 636 CG ASP A 691 -6.729 -1.299 4.979 1.00 32.20 C ATOM 637 OD1 ASP A 691 -6.468 -0.086 5.128 1.00 34.19 O ATOM 638 OD2 ASP A 691 -7.847 -1.811 5.197 1.00 32.57 O ATOM 639 H ASP A 691 -5.262 -1.175 2.229 1.00 0.00 H ATOM 640 N ASP A 692 -2.905 -3.304 3.647 1.00 18.24 N ATOM 641 CA ASP A 692 -1.843 -4.261 3.922 1.00 27.57 C ATOM 642 C ASP A 692 -0.470 -3.608 3.814 1.00 22.12 C ATOM 643 O ASP A 692 0.439 -3.931 4.588 1.00 20.56 O ATOM 644 CB ASP A 692 -1.959 -5.446 2.969 1.00 31.30 C ATOM 645 CG ASP A 692 -3.219 -6.255 3.199 1.00 37.48 C ATOM 646 OD1 ASP A 692 -3.739 -6.257 4.337 1.00 42.64 O ATOM 647 OD2 ASP A 692 -3.685 -6.892 2.232 1.00 42.97 O ATOM 648 H ASP A 692 -3.476 -3.400 2.783 1.00 0.00 H ATOM 649 N PHE A 693 -0.312 -2.688 2.858 1.00 18.03 N ATOM 650 CA PHE A 693 0.898 -1.878 2.758 1.00 19.32 C ATOM 651 C PHE A 693 1.092 -1.050 4.023 1.00 20.62 C ATOM 652 O PHE A 693 2.173 -1.038 4.627 1.00 16.59 O ATOM 653 CB PHE A 693 0.783 -0.992 1.511 1.00 24.57 C ATOM 654 CG PHE A 693 1.935 -0.049 1.284 1.00 17.75 C ATOM 655 CD1 PHE A 693 1.903 1.239 1.799 1.00 22.19 C ATOM 656 CD2 PHE A 693 3.014 -0.418 0.496 1.00 14.32 C ATOM 657 CE1 PHE A 693 2.948 2.124 1.574 1.00 19.32 C ATOM 658 CE2 PHE A 693 4.062 0.464 0.252 1.00 18.59 C ATOM 659 CZ PHE A 693 4.035 1.739 0.790 1.00 22.44 C ATOM 660 H PHE A 693 -1.074 -2.545 2.165 1.00 0.00 H ATOM 661 N GLU A 694 0.026 -0.395 4.475 1.00 17.63 N ATOM 662 CA GLU A 694 0.160 0.486 5.625 1.00 14.80 C ATOM 663 C GLU A 694 0.466 -0.320 6.883 1.00 16.58 C ATOM 664 O GLU A 694 1.240 0.120 7.745 1.00 19.21 O ATOM 665 CB GLU A 694 -1.120 1.303 5.783 1.00 23.00 C ATOM 666 CG GLU A 694 -1.216 2.050 7.090 1.00 28.54 C ATOM 667 CD GLU A 694 -2.157 3.229 7.000 1.00 33.64 C ATOM 668 OE1 GLU A 694 -2.738 3.440 5.909 1.00 27.66 O ATOM 669 OE2 GLU A 694 -2.321 3.934 8.017 1.00 38.71 O ATOM 670 H GLU A 694 -0.897 -0.512 4.010 1.00 0.00 H ATOM 671 N GLU A 695 -0.113 -1.519 6.980 1.00 17.40 N ATOM 672 CA GLU A 695 0.144 -2.391 8.118 1.00 20.55 C ATOM 673 C GLU A 695 1.626 -2.732 8.231 1.00 20.50 C ATOM 674 O GLU A 695 2.163 -2.819 9.340 1.00 17.29 O ATOM 675 CB GLU A 695 -0.692 -3.664 7.998 1.00 27.21 C ATOM 676 CG GLU A 695 -2.168 -3.467 8.310 1.00 35.76 C ATOM 677 CD GLU A 695 -2.933 -4.769 8.283 1.00 43.36 C ATOM 678 OE1 GLU A 695 -2.312 -5.825 8.555 1.00 39.27 O ATOM 679 OE2 GLU A 695 -4.147 -4.734 7.972 1.00 50.62 O ATOM 680 H GLU A 695 -0.759 -1.836 6.229 1.00 0.00 H ATOM 681 N ASP A 696 2.307 -2.935 7.099 1.00 20.84 N ATOM 682 CA ASP A 696 3.731 -3.235 7.182 1.00 14.59 C ATOM 683 C ASP A 696 4.532 -1.991 7.528 1.00 13.95 C ATOM 684 O ASP A 696 5.515 -2.081 8.268 1.00 19.81 O ATOM 685 CB ASP A 696 4.235 -3.889 5.894 1.00 19.75 C ATOM 686 CG ASP A 696 4.224 -5.408 5.984 1.00 22.39 C ATOM 687 OD1 ASP A 696 3.860 -5.934 7.059 1.00 25.35 O ATOM 688 OD2 ASP A 696 4.548 -6.090 4.989 1.00 23.77 O ATOM 689 H ASP A 696 1.830 -2.880 6.177 1.00 0.00 H ATOM 690 N PHE A 697 4.127 -0.816 7.030 1.00 11.70 N ATOM 691 CA PHE A 697 4.802 0.399 7.468 1.00 16.94 C ATOM 692 C PHE A 697 4.667 0.578 8.976 1.00 16.35 C ATOM 693 O PHE A 697 5.633 0.913 9.666 1.00 13.34 O ATOM 694 CB PHE A 697 4.247 1.618 6.745 1.00 11.74 C ATOM 695 CG PHE A 697 4.714 2.918 7.324 1.00 13.04 C ATOM 696 CD1 PHE A 697 3.882 3.676 8.127 1.00 21.53 C ATOM 697 CD2 PHE A 697 5.991 3.381 7.061 1.00 22.58 C ATOM 698 CE1 PHE A 697 4.301 4.875 8.653 1.00 23.89 C ATOM 699 CE2 PHE A 697 6.428 4.580 7.599 1.00 27.00 C ATOM 700 CZ PHE A 697 5.576 5.330 8.391 1.00 26.25 C ATOM 701 H PHE A 697 3.346 -0.771 6.344 1.00 0.00 H ATOM 702 N ASN A 698 3.465 0.353 9.504 1.00 16.84 N ATOM 703 CA ASN A 698 3.238 0.509 10.935 1.00 20.51 C ATOM 704 C ASN A 698 4.140 -0.406 11.759 1.00 14.75 C ATOM 705 O ASN A 698 4.581 -0.024 12.847 1.00 18.31 O ATOM 706 CB ASN A 698 1.761 0.249 11.227 1.00 17.00 C ATOM 707 CG ASN A 698 0.876 1.347 10.678 1.00 20.63 C ATOM 708 OD1 ASN A 698 1.350 2.449 10.416 1.00 19.79 O ATOM 709 ND2 ASN A 698 -0.413 1.059 10.502 1.00 23.52 N ATOM 710 HD22 ASN A 698 -0.771 0.111 10.738 1.00 0.00 H ATOM 711 HD21 ASN A 698 -1.061 1.782 10.129 1.00 0.00 H ATOM 712 H ASN A 698 2.679 0.063 8.888 1.00 0.00 H ATOM 713 N LEU A 699 4.446 -1.601 11.247 1.00 15.42 N ATOM 714 CA LEU A 699 5.362 -2.500 11.947 1.00 14.87 C ATOM 715 C LEU A 699 6.767 -1.926 12.027 1.00 12.03 C ATOM 716 O LEU A 699 7.454 -2.099 13.041 1.00 13.61 O ATOM 717 CB LEU A 699 5.414 -3.864 11.259 1.00 20.85 C ATOM 718 CG LEU A 699 4.291 -4.856 11.517 1.00 25.48 C ATOM 719 CD1 LEU A 699 4.606 -6.142 10.773 1.00 28.29 C ATOM 720 CD2 LEU A 699 4.120 -5.104 13.019 1.00 19.72 C ATOM 721 H LEU A 699 4.028 -1.895 10.341 1.00 0.00 H ATOM 722 N ILE A 700 7.237 -1.269 10.961 1.00 15.64 N ATOM 723 CA ILE A 700 8.559 -0.653 11.032 1.00 15.41 C ATOM 724 C ILE A 700 8.630 0.260 12.250 1.00 19.08 C ATOM 725 O ILE A 700 9.614 0.258 13.002 1.00 15.69 O ATOM 726 CB ILE A 700 8.873 0.114 9.728 1.00 12.26 C ATOM 727 CG1 ILE A 700 8.996 -0.850 8.559 1.00 14.87 C ATOM 728 CG2 ILE A 700 10.131 0.941 9.919 1.00 22.39 C ATOM 729 CD1 ILE A 700 9.052 -0.113 7.199 1.00 20.35 C ATOM 730 H ILE A 700 6.668 -1.198 10.093 1.00 0.00 H ATOM 731 N VAL A 701 7.556 1.010 12.495 1.00 15.64 N ATOM 732 CA VAL A 701 7.536 1.967 13.593 1.00 12.84 C ATOM 733 C VAL A 701 7.349 1.250 14.923 1.00 15.32 C ATOM 734 O VAL A 701 8.153 1.402 15.853 1.00 14.56 O ATOM 735 CB VAL A 701 6.431 3.015 13.353 1.00 25.75 C ATOM 736 CG1 VAL A 701 6.341 3.991 14.532 1.00 21.66 C ATOM 737 CG2 VAL A 701 6.679 3.764 12.043 1.00 18.74 C ATOM 738 H VAL A 701 6.716 0.910 11.890 1.00 0.00 H ATOM 739 N SER A 702 6.309 0.424 15.012 1.00 19.18 N ATOM 740 CA SER A 702 5.962 -0.181 16.296 1.00 22.43 C ATOM 741 C SER A 702 7.016 -1.184 16.750 1.00 19.10 C ATOM 742 O SER A 702 7.254 -1.314 17.957 1.00 17.11 O ATOM 743 CB SER A 702 4.582 -0.826 16.205 1.00 19.24 C ATOM 744 OG SER A 702 4.564 -1.910 15.301 1.00 18.99 O ATOM 745 HG SER A 702 3.654 -2.299 15.272 1.00 0.00 H ATOM 746 H SER A 702 5.743 0.209 14.167 1.00 0.00 H ATOM 747 N ASN A 703 7.667 -1.892 15.814 1.00 14.47 N ATOM 748 CA ASN A 703 8.789 -2.739 16.204 1.00 17.40 C ATOM 749 C ASN A 703 9.864 -1.895 16.866 1.00 22.13 C ATOM 750 O ASN A 703 10.382 -2.243 17.933 1.00 21.80 O ATOM 751 CB ASN A 703 9.376 -3.481 14.990 1.00 18.43 C ATOM 752 CG ASN A 703 8.470 -4.586 14.485 1.00 23.22 C ATOM 753 OD1 ASN A 703 7.554 -5.015 15.194 1.00 24.50 O ATOM 754 ND2 ASN A 703 8.717 -5.060 13.257 1.00 17.37 N ATOM 755 HD22 ASN A 703 9.500 -4.668 12.696 1.00 0.00 H ATOM 756 HD21 ASN A 703 8.126 -5.820 12.864 1.00 0.00 H ATOM 757 H ASN A 703 7.374 -1.837 14.818 1.00 0.00 H ATOM 758 N CYS A 704 10.192 -0.761 16.247 1.00 23.70 N ATOM 759 CA CYS A 704 11.267 0.084 16.751 1.00 17.93 C ATOM 760 C CYS A 704 10.925 0.651 18.125 1.00 19.72 C ATOM 761 O CYS A 704 11.752 0.619 19.043 1.00 23.61 O ATOM 762 CB CYS A 704 11.555 1.203 15.752 1.00 15.46 C ATOM 763 SG CYS A 704 12.941 2.233 16.250 1.00 20.84 S ATOM 764 H CYS A 704 9.673 -0.475 15.392 1.00 0.00 H ATOM 765 N LEU A 705 9.713 1.180 18.282 1.00 16.23 N ATOM 766 CA LEU A 705 9.286 1.688 19.588 1.00 17.56 C ATOM 767 C LEU A 705 9.282 0.589 20.650 1.00 22.93 C ATOM 768 O LEU A 705 9.697 0.811 21.797 1.00 21.80 O ATOM 769 CB LEU A 705 7.895 2.311 19.459 1.00 15.95 C ATOM 770 CG LEU A 705 7.700 3.492 18.520 1.00 14.10 C ATOM 771 CD1 LEU A 705 6.187 3.842 18.448 1.00 18.44 C ATOM 772 CD2 LEU A 705 8.527 4.699 18.914 1.00 15.95 C ATOM 773 H LEU A 705 9.064 1.233 17.471 1.00 0.00 H ATOM 774 N LYS A 706 8.832 -0.613 20.282 1.00 25.09 N ATOM 775 CA LYS A 706 8.770 -1.711 21.244 1.00 26.94 C ATOM 776 C LYS A 706 10.161 -2.144 21.698 1.00 25.85 C ATOM 777 O LYS A 706 10.386 -2.371 22.891 1.00 28.38 O ATOM 778 CB LYS A 706 8.015 -2.884 20.623 1.00 26.16 C ATOM 779 CG LYS A 706 7.774 -4.083 21.511 1.00 27.83 C ATOM 780 CD LYS A 706 6.721 -4.968 20.852 1.00 29.45 C ATOM 781 CE LYS A 706 6.897 -6.423 21.211 1.00 36.31 C ATOM 782 NZ LYS A 706 5.983 -7.290 20.409 1.00 38.25 N ATOM 783 HZ1 LYS A 706 4.997 -7.018 20.596 1.00 0.00 H ATOM 784 HZ2 LYS A 706 6.192 -7.169 19.397 1.00 0.00 H ATOM 785 HZ3 LYS A 706 6.126 -8.284 20.677 1.00 0.00 H ATOM 786 H LYS A 706 8.523 -0.769 19.301 1.00 0.00 H ATOM 787 N TYR A 707 11.112 -2.259 20.766 1.00 19.76 N ATOM 788 CA TYR A 707 12.396 -2.863 21.111 1.00 24.58 C ATOM 789 C TYR A 707 13.314 -1.896 21.842 1.00 31.54 C ATOM 790 O TYR A 707 14.058 -2.317 22.734 1.00 30.30 O ATOM 791 CB TYR A 707 13.098 -3.397 19.857 1.00 25.41 C ATOM 792 CG TYR A 707 14.475 -3.982 20.139 1.00 23.84 C ATOM 793 CD1 TYR A 707 14.609 -5.230 20.742 1.00 25.57 C ATOM 794 CD2 TYR A 707 15.630 -3.275 19.827 1.00 22.67 C ATOM 795 CE1 TYR A 707 15.856 -5.765 21.011 1.00 29.61 C ATOM 796 CE2 TYR A 707 16.889 -3.803 20.098 1.00 31.33 C ATOM 797 CZ TYR A 707 16.992 -5.048 20.693 1.00 33.32 C ATOM 798 OH TYR A 707 18.229 -5.592 20.967 1.00 38.44 O ATOM 799 HH TYR A 707 18.112 -6.480 21.389 1.00 0.00 H ATOM 800 H TYR A 707 10.938 -1.920 19.798 1.00 0.00 H ATOM 801 N ASN A 708 13.258 -0.611 21.512 1.00 25.54 N ATOM 802 CA ASN A 708 14.244 0.354 21.975 1.00 23.41 C ATOM 803 C ASN A 708 13.730 1.151 23.163 1.00 23.97 C ATOM 804 O ASN A 708 12.541 1.473 23.237 1.00 23.31 O ATOM 805 CB ASN A 708 14.611 1.301 20.837 1.00 24.55 C ATOM 806 CG ASN A 708 15.334 0.593 19.730 1.00 21.16 C ATOM 807 OD1 ASN A 708 16.515 0.289 19.861 1.00 25.84 O ATOM 808 ND2 ASN A 708 14.629 0.300 18.636 1.00 21.39 N ATOM 809 HD22 ASN A 708 13.629 0.579 18.571 1.00 0.00 H ATOM 810 HD21 ASN A 708 15.079 -0.207 17.848 1.00 0.00 H ATOM 811 H ASN A 708 12.483 -0.283 20.902 1.00 0.00 H ATOM 812 N ALA A 709 14.632 1.452 24.099 1.00 27.58 N ATOM 813 CA ALA A 709 14.306 2.380 25.169 1.00 23.90 C ATOM 814 C ALA A 709 13.909 3.730 24.583 1.00 24.32 C ATOM 815 O ALA A 709 14.238 4.071 23.439 1.00 25.81 O ATOM 816 CB ALA A 709 15.485 2.541 26.131 1.00 27.18 C ATOM 817 H ALA A 709 15.577 1.019 24.063 1.00 0.00 H ATOM 818 N LYS A 710 13.154 4.491 25.371 1.00 27.48 N ATOM 819 CA LYS A 710 12.596 5.736 24.863 1.00 22.10 C ATOM 820 C LYS A 710 13.681 6.763 24.578 1.00 22.17 C ATOM 821 O LYS A 710 13.584 7.524 23.607 1.00 24.55 O ATOM 822 CB LYS A 710 11.569 6.273 25.856 1.00 25.21 C ATOM 823 CG LYS A 710 10.266 5.524 25.796 1.00 17.09 C ATOM 824 CD LYS A 710 9.195 6.227 26.605 1.00 29.17 C ATOM 825 CE LYS A 710 8.776 7.532 25.974 1.00 28.06 C ATOM 826 NZ LYS A 710 7.762 8.227 26.829 1.00 29.97 N ATOM 827 HZ1 LYS A 710 6.925 7.619 26.936 1.00 0.00 H ATOM 828 HZ2 LYS A 710 8.173 8.420 27.764 1.00 0.00 H ATOM 829 HZ3 LYS A 710 7.486 9.123 26.378 1.00 0.00 H ATOM 830 H LYS A 710 12.962 4.196 26.350 1.00 0.00 H ATOM 831 N ASP A 711 14.730 6.788 25.394 1.00 24.12 N ATOM 832 CA ASP A 711 15.788 7.788 25.249 1.00 35.25 C ATOM 833 C ASP A 711 16.892 7.281 24.317 1.00 33.81 C ATOM 834 O ASP A 711 18.061 7.170 24.682 1.00 32.23 O ATOM 835 CB ASP A 711 16.344 8.162 26.617 1.00 46.68 C ATOM 836 CG ASP A 711 17.357 9.282 26.546 1.00 59.64 C ATOM 837 OD1 ASP A 711 17.330 10.045 25.556 1.00 66.09 O ATOM 838 OD2 ASP A 711 18.180 9.394 27.480 1.00 63.19 O ATOM 839 H ASP A 711 14.800 6.080 26.153 1.00 0.00 H ATOM 840 N THR A 712 16.498 6.966 23.083 1.00 27.27 N ATOM 841 CA THR A 712 17.444 6.524 22.070 1.00 29.50 C ATOM 842 C THR A 712 17.129 7.212 20.749 1.00 28.83 C ATOM 843 O THR A 712 16.002 7.651 20.501 1.00 26.35 O ATOM 844 CB THR A 712 17.428 4.999 21.874 1.00 32.43 C ATOM 845 OG1 THR A 712 16.170 4.603 21.323 1.00 27.35 O ATOM 846 CG2 THR A 712 17.670 4.263 23.201 1.00 31.50 C ATOM 847 HG1 THR A 712 15.443 4.865 21.942 1.00 0.00 H ATOM 848 H THR A 712 15.490 7.038 22.839 1.00 0.00 H ATOM 849 N ILE A 713 18.162 7.313 19.906 1.00 24.76 N ATOM 850 CA ILE A 713 17.982 7.848 18.560 1.00 27.97 C ATOM 851 C ILE A 713 16.983 7.003 17.781 1.00 22.90 C ATOM 852 O ILE A 713 16.157 7.533 17.027 1.00 21.65 O ATOM 853 CB ILE A 713 19.339 7.931 17.834 1.00 26.69 C ATOM 854 CG1 ILE A 713 20.130 9.145 18.324 1.00 34.37 C ATOM 855 CG2 ILE A 713 19.148 7.988 16.325 1.00 23.79 C ATOM 856 CD1 ILE A 713 21.622 8.961 18.241 1.00 37.87 C ATOM 857 H ILE A 713 19.107 7.006 20.214 1.00 0.00 H ATOM 858 N PHE A 714 17.051 5.678 17.939 1.00 23.09 N ATOM 859 CA PHE A 714 16.153 4.800 17.195 1.00 16.69 C ATOM 860 C PHE A 714 14.701 5.092 17.554 1.00 21.91 C ATOM 861 O PHE A 714 13.852 5.313 16.675 1.00 19.97 O ATOM 862 CB PHE A 714 16.478 3.334 17.493 1.00 17.14 C ATOM 863 CG PHE A 714 17.748 2.838 16.859 1.00 23.44 C ATOM 864 CD1 PHE A 714 18.116 3.250 15.585 1.00 27.36 C ATOM 865 CD2 PHE A 714 18.554 1.938 17.527 1.00 25.25 C ATOM 866 CE1 PHE A 714 19.288 2.780 15.008 1.00 30.29 C ATOM 867 CE2 PHE A 714 19.716 1.465 16.955 1.00 28.46 C ATOM 868 CZ PHE A 714 20.083 1.881 15.697 1.00 23.70 C ATOM 869 H PHE A 714 17.747 5.270 18.595 1.00 0.00 H ATOM 870 N TYR A 715 14.404 5.094 18.853 1.00 19.36 N ATOM 871 CA TYR A 715 13.044 5.363 19.305 1.00 19.34 C ATOM 872 C TYR A 715 12.567 6.722 18.820 1.00 19.71 C ATOM 873 O TYR A 715 11.453 6.851 18.297 1.00 18.29 O ATOM 874 CB TYR A 715 12.973 5.287 20.830 1.00 16.79 C ATOM 875 CG TYR A 715 11.554 5.302 21.378 1.00 12.99 C ATOM 876 CD1 TYR A 715 10.846 6.496 21.502 1.00 18.56 C ATOM 877 CD2 TYR A 715 10.952 4.130 21.809 1.00 14.19 C ATOM 878 CE1 TYR A 715 9.555 6.519 22.022 1.00 17.81 C ATOM 879 CE2 TYR A 715 9.646 4.138 22.319 1.00 15.75 C ATOM 880 CZ TYR A 715 8.966 5.338 22.426 1.00 12.19 C ATOM 881 OH TYR A 715 7.680 5.374 22.934 1.00 20.14 O ATOM 882 HH TYR A 715 7.353 6.309 22.936 1.00 0.00 H ATOM 883 H TYR A 715 15.150 4.902 19.552 1.00 0.00 H ATOM 884 N ARG A 716 13.391 7.755 19.008 1.00 19.61 N ATOM 885 CA ARG A 716 13.015 9.091 18.550 1.00 20.15 C ATOM 886 C ARG A 716 12.808 9.124 17.040 1.00 17.69 C ATOM 887 O ARG A 716 11.899 9.805 16.546 1.00 19.91 O ATOM 888 CB ARG A 716 14.069 10.110 18.976 1.00 20.20 C ATOM 889 CG ARG A 716 14.070 10.366 20.495 1.00 30.98 C ATOM 890 CD ARG A 716 14.798 11.658 20.835 1.00 33.83 C ATOM 891 NE ARG A 716 16.247 11.486 20.800 1.00 42.05 N ATOM 892 CZ ARG A 716 16.963 11.020 21.818 1.00 44.48 C ATOM 893 NH1 ARG A 716 16.360 10.672 22.945 1.00 45.28 N ATOM 894 NH2 ARG A 716 18.279 10.897 21.709 1.00 47.15 N ATOM 895 HE ARG A 716 16.749 11.743 19.926 1.00 0.00 H ATOM 896 HH12 ARG A 716 16.919 10.307 23.743 1.00 0.00 H ATOM 897 HH11 ARG A 716 15.328 10.764 23.032 1.00 0.00 H ATOM 898 HH22 ARG A 716 18.835 10.532 22.508 1.00 0.00 H ATOM 899 HH21 ARG A 716 18.755 11.166 20.824 1.00 0.00 H ATOM 900 H ARG A 716 14.305 7.609 19.483 1.00 0.00 H ATOM 901 N ALA A 717 13.636 8.392 16.291 1.00 17.86 N ATOM 902 CA ALA A 717 13.486 8.359 14.839 1.00 18.72 C ATOM 903 C ALA A 717 12.188 7.675 14.422 1.00 21.46 C ATOM 904 O ALA A 717 11.559 8.075 13.434 1.00 16.52 O ATOM 905 CB ALA A 717 14.691 7.659 14.204 1.00 18.47 C ATOM 906 H ALA A 717 14.393 7.842 16.745 1.00 0.00 H ATOM 907 N ALA A 718 11.765 6.643 15.159 1.00 22.93 N ATOM 908 CA ALA A 718 10.506 5.985 14.826 1.00 19.22 C ATOM 909 C ALA A 718 9.319 6.908 15.077 1.00 15.51 C ATOM 910 O ALA A 718 8.331 6.879 14.331 1.00 20.89 O ATOM 911 CB ALA A 718 10.362 4.690 15.631 1.00 12.88 C ATOM 912 H ALA A 718 12.331 6.311 15.966 1.00 0.00 H ATOM 913 N VAL A 719 9.378 7.704 16.150 1.00 20.57 N ATOM 914 CA VAL A 719 8.347 8.712 16.390 1.00 18.04 C ATOM 915 C VAL A 719 8.300 9.694 15.228 1.00 17.33 C ATOM 916 O VAL A 719 7.229 10.042 14.726 1.00 16.60 O ATOM 917 CB VAL A 719 8.607 9.440 17.718 1.00 22.69 C ATOM 918 CG1 VAL A 719 7.633 10.607 17.883 1.00 26.06 C ATOM 919 CG2 VAL A 719 8.526 8.458 18.885 1.00 22.95 C ATOM 920 H VAL A 719 10.166 7.605 16.821 1.00 0.00 H ATOM 921 N ARG A 720 9.468 10.160 14.794 1.00 17.06 N ATOM 922 CA ARG A 720 9.535 11.086 13.669 1.00 19.64 C ATOM 923 C ARG A 720 9.002 10.446 12.395 1.00 22.46 C ATOM 924 O ARG A 720 8.291 11.089 11.611 1.00 25.94 O ATOM 925 CB ARG A 720 10.980 11.546 13.475 1.00 19.02 C ATOM 926 CG ARG A 720 11.139 12.718 12.523 1.00 33.64 C ATOM 927 CD ARG A 720 12.453 13.418 12.812 1.00 47.39 C ATOM 928 NE ARG A 720 12.669 13.533 14.253 1.00 52.16 N ATOM 929 CZ ARG A 720 13.707 13.017 14.904 1.00 53.41 C ATOM 930 NH1 ARG A 720 14.644 12.338 14.248 1.00 49.70 N ATOM 931 NH2 ARG A 720 13.805 13.180 16.218 1.00 53.14 N ATOM 932 HE ARG A 720 11.961 14.055 14.808 1.00 0.00 H ATOM 933 HH12 ARG A 720 15.453 11.937 14.764 1.00 0.00 H ATOM 934 HH11 ARG A 720 14.567 12.208 13.219 1.00 0.00 H ATOM 935 HH22 ARG A 720 14.615 12.779 16.733 1.00 0.00 H ATOM 936 HH21 ARG A 720 13.072 13.709 16.732 1.00 0.00 H ATOM 937 H ARG A 720 10.346 9.860 15.264 1.00 0.00 H ATOM 938 N LEU A 721 9.333 9.176 12.169 1.00 21.54 N ATOM 939 CA LEU A 721 8.827 8.499 10.983 1.00 19.38 C ATOM 940 C LEU A 721 7.325 8.294 11.086 1.00 18.29 C ATOM 941 O LEU A 721 6.599 8.419 10.093 1.00 19.67 O ATOM 942 CB LEU A 721 9.538 7.161 10.793 1.00 20.41 C ATOM 943 CG LEU A 721 9.034 6.356 9.592 1.00 18.71 C ATOM 944 CD1 LEU A 721 9.366 7.088 8.299 1.00 33.15 C ATOM 945 CD2 LEU A 721 9.569 4.938 9.597 1.00 16.62 C ATOM 946 H LEU A 721 9.950 8.670 12.836 1.00 0.00 H ATOM 947 N ARG A 722 6.841 7.981 12.282 1.00 14.71 N ATOM 948 CA ARG A 722 5.403 7.840 12.468 1.00 14.41 C ATOM 949 C ARG A 722 4.677 9.116 12.059 1.00 14.95 C ATOM 950 O ARG A 722 3.662 9.064 11.356 1.00 17.67 O ATOM 951 CB ARG A 722 5.103 7.488 13.924 1.00 20.42 C ATOM 952 CG ARG A 722 3.652 7.145 14.188 1.00 24.25 C ATOM 953 CD ARG A 722 3.412 6.897 15.676 1.00 25.35 C ATOM 954 NE ARG A 722 3.640 8.120 16.434 1.00 21.55 N ATOM 955 CZ ARG A 722 4.007 8.146 17.708 1.00 20.04 C ATOM 956 NH1 ARG A 722 4.183 7.010 18.366 1.00 19.13 N ATOM 957 NH2 ARG A 722 4.207 9.310 18.318 1.00 21.66 N ATOM 958 HE ARG A 722 3.507 9.029 15.946 1.00 0.00 H ATOM 959 HH12 ARG A 722 4.471 7.027 19.365 1.00 0.00 H ATOM 960 HH11 ARG A 722 4.033 6.101 17.883 1.00 0.00 H ATOM 961 HH22 ARG A 722 4.495 9.331 19.317 1.00 0.00 H ATOM 962 HH21 ARG A 722 4.076 10.200 17.796 1.00 0.00 H ATOM 963 H ARG A 722 7.487 7.837 13.084 1.00 0.00 H ATOM 964 N GLU A 723 5.198 10.276 12.470 1.00 20.57 N ATOM 965 CA GLU A 723 4.540 11.541 12.150 1.00 19.51 C ATOM 966 C GLU A 723 4.672 11.874 10.672 1.00 21.76 C ATOM 967 O GLU A 723 3.676 12.194 10.011 1.00 20.82 O ATOM 968 CB GLU A 723 5.111 12.678 13.000 1.00 24.42 C ATOM 969 CG GLU A 723 5.350 12.326 14.461 1.00 39.43 C ATOM 970 CD GLU A 723 5.918 13.480 15.274 1.00 47.35 C ATOM 971 OE1 GLU A 723 5.665 13.531 16.497 1.00 47.53 O ATOM 972 OE2 GLU A 723 6.626 14.332 14.695 1.00 49.59 O ATOM 973 H GLU A 723 6.079 10.278 13.022 1.00 0.00 H ATOM 974 N GLN A 724 5.898 11.810 10.142 1.00 21.88 N ATOM 975 CA GLN A 724 6.146 12.236 8.770 1.00 20.09 C ATOM 976 C GLN A 724 5.609 11.222 7.768 1.00 20.76 C ATOM 977 O GLN A 724 5.086 11.599 6.710 1.00 21.54 O ATOM 978 CB GLN A 724 7.647 12.448 8.558 1.00 26.75 C ATOM 979 CG GLN A 724 8.259 13.570 9.381 1.00 28.11 C ATOM 980 CD GLN A 724 9.683 13.882 8.947 1.00 34.55 C ATOM 981 OE1 GLN A 724 10.484 12.979 8.725 1.00 35.19 O ATOM 982 NE2 GLN A 724 10.001 15.164 8.828 1.00 41.87 N ATOM 983 HE22 GLN A 724 9.290 15.897 9.026 1.00 0.00 H ATOM 984 HE21 GLN A 724 10.961 15.437 8.536 1.00 0.00 H ATOM 985 H GLN A 724 6.687 11.451 10.717 1.00 0.00 H ATOM 986 N GLY A 725 5.763 9.932 8.069 1.00 20.44 N ATOM 987 CA GLY A 725 5.231 8.903 7.199 1.00 21.79 C ATOM 988 C GLY A 725 3.721 8.836 7.244 1.00 25.55 C ATOM 989 O GLY A 725 3.082 8.438 6.267 1.00 21.08 O ATOM 990 H GLY A 725 6.270 9.662 8.936 1.00 0.00 H ATOM 991 N GLY A 726 3.127 9.223 8.374 1.00 23.02 N ATOM 992 CA GLY A 726 1.678 9.310 8.441 1.00 24.03 C ATOM 993 C GLY A 726 1.110 10.326 7.468 1.00 28.89 C ATOM 994 O GLY A 726 0.051 10.108 6.871 1.00 22.85 O ATOM 995 H GLY A 726 3.701 9.463 9.207 1.00 0.00 H ATOM 996 N ALA A 727 1.793 11.461 7.313 1.00 30.97 N ATOM 997 CA ALA A 727 1.348 12.454 6.347 1.00 25.12 C ATOM 998 C ALA A 727 1.454 11.907 4.933 1.00 23.19 C ATOM 999 O ALA A 727 0.553 12.102 4.114 1.00 21.81 O ATOM 1000 CB ALA A 727 2.168 13.737 6.486 1.00 30.02 C ATOM 1001 H ALA A 727 2.645 11.637 7.883 1.00 0.00 H ATOM 1002 N VAL A 728 2.549 11.211 4.640 1.00 23.41 N ATOM 1003 CA VAL A 728 2.717 10.572 3.340 1.00 21.12 C ATOM 1004 C VAL A 728 1.562 9.618 3.055 1.00 19.97 C ATOM 1005 O VAL A 728 0.937 9.674 1.992 1.00 20.24 O ATOM 1006 CB VAL A 728 4.077 9.851 3.283 1.00 21.60 C ATOM 1007 CG1 VAL A 728 4.184 9.012 2.001 1.00 16.84 C ATOM 1008 CG2 VAL A 728 5.216 10.846 3.393 1.00 32.79 C ATOM 1009 H VAL A 728 3.301 11.121 5.353 1.00 0.00 H ATOM 1010 N LEU A 729 1.261 8.726 4.005 1.00 18.20 N ATOM 1011 CA LEU A 729 0.216 7.727 3.795 1.00 23.46 C ATOM 1012 C LEU A 729 -1.167 8.359 3.649 1.00 25.54 C ATOM 1013 O LEU A 729 -2.007 7.854 2.887 1.00 22.55 O ATOM 1014 CB LEU A 729 0.202 6.733 4.962 1.00 21.88 C ATOM 1015 CG LEU A 729 1.382 5.765 5.023 1.00 27.33 C ATOM 1016 CD1 LEU A 729 1.338 4.962 6.297 1.00 34.39 C ATOM 1017 CD2 LEU A 729 1.414 4.853 3.793 1.00 28.24 C ATOM 1018 H LEU A 729 1.779 8.744 4.907 1.00 0.00 H ATOM 1019 N ARG A 730 -1.425 9.449 4.371 1.00 22.15 N ATOM 1020 CA ARG A 730 -2.722 10.107 4.262 1.00 28.21 C ATOM 1021 C ARG A 730 -2.993 10.533 2.826 1.00 24.94 C ATOM 1022 O ARG A 730 -4.030 10.200 2.242 1.00 22.57 O ATOM 1023 CB ARG A 730 -2.768 11.304 5.208 1.00 30.07 C ATOM 1024 CG ARG A 730 -4.132 11.930 5.386 1.00 30.85 C ATOM 1025 CD ARG A 730 -4.077 12.861 6.580 1.00 32.02 C ATOM 1026 NE ARG A 730 -3.162 12.347 7.598 1.00 47.28 N ATOM 1027 CZ ARG A 730 -2.197 13.056 8.179 1.00 54.63 C ATOM 1028 NH1 ARG A 730 -2.010 14.326 7.849 1.00 58.07 N ATOM 1029 NH2 ARG A 730 -1.420 12.493 9.098 1.00 51.59 N ATOM 1030 HE ARG A 730 -3.273 11.355 7.889 1.00 0.00 H ATOM 1031 HH12 ARG A 730 -1.255 14.876 8.306 1.00 0.00 H ATOM 1032 HH11 ARG A 730 -2.619 14.772 7.133 1.00 0.00 H ATOM 1033 HH22 ARG A 730 -0.666 13.047 9.552 1.00 0.00 H ATOM 1034 HH21 ARG A 730 -1.566 11.498 9.364 1.00 0.00 H ATOM 1035 H ARG A 730 -0.701 9.831 5.013 1.00 0.00 H ATOM 1036 N GLN A 731 -2.044 11.229 2.216 1.00 25.53 N ATOM 1037 CA GLN A 731 -2.297 11.682 0.858 1.00 26.53 C ATOM 1038 C GLN A 731 -2.219 10.537 -0.142 1.00 29.73 C ATOM 1039 O GLN A 731 -2.955 10.539 -1.136 1.00 27.18 O ATOM 1040 CB GLN A 731 -1.353 12.828 0.528 1.00 30.11 C ATOM 1041 CG GLN A 731 -1.105 13.790 1.725 1.00 43.66 C ATOM 1042 CD GLN A 731 -2.382 14.423 2.336 1.00 47.62 C ATOM 1043 OE1 GLN A 731 -3.502 13.942 2.154 1.00 55.94 O ATOM 1044 NE2 GLN A 731 -2.194 15.502 3.080 1.00 44.58 N ATOM 1045 HE22 GLN A 731 -1.235 15.881 3.213 1.00 0.00 H ATOM 1046 HE21 GLN A 731 -3.005 15.970 3.532 1.00 0.00 H ATOM 1047 H GLN A 731 -1.146 11.444 2.694 1.00 0.00 H ATOM 1048 N ALA A 732 -1.408 9.509 0.128 1.00 22.26 N ATOM 1049 CA ALA A 732 -1.371 8.394 -0.815 1.00 24.89 C ATOM 1050 C ALA A 732 -2.625 7.534 -0.715 1.00 27.09 C ATOM 1051 O ALA A 732 -3.062 6.967 -1.720 1.00 22.35 O ATOM 1052 CB ALA A 732 -0.123 7.544 -0.599 1.00 22.13 C ATOM 1053 H ALA A 732 -0.820 9.503 0.986 1.00 0.00 H ATOM 1054 N ARG A 733 -3.228 7.425 0.472 1.00 18.98 N ATOM 1055 CA ARG A 733 -4.455 6.637 0.573 1.00 26.97 C ATOM 1056 C ARG A 733 -5.610 7.302 -0.167 1.00 26.84 C ATOM 1057 O ARG A 733 -6.484 6.611 -0.706 1.00 28.81 O ATOM 1058 CB ARG A 733 -4.833 6.394 2.039 1.00 30.14 C ATOM 1059 CG ARG A 733 -6.044 5.473 2.174 1.00 39.09 C ATOM 1060 CD ARG A 733 -6.586 5.375 3.585 1.00 42.76 C ATOM 1061 NE ARG A 733 -5.813 4.435 4.393 1.00 40.04 N ATOM 1062 CZ ARG A 733 -5.930 3.109 4.323 1.00 41.82 C ATOM 1063 NH1 ARG A 733 -6.781 2.552 3.466 1.00 42.84 N ATOM 1064 NH2 ARG A 733 -5.176 2.338 5.094 1.00 37.27 N ATOM 1065 HE ARG A 733 -5.125 4.827 5.068 1.00 0.00 H ATOM 1066 HH12 ARG A 733 -6.867 1.517 3.417 1.00 0.00 H ATOM 1067 HH11 ARG A 733 -7.361 3.152 2.845 1.00 0.00 H ATOM 1068 HH22 ARG A 733 -5.266 1.303 5.041 1.00 0.00 H ATOM 1069 HH21 ARG A 733 -4.495 2.768 5.752 1.00 0.00 H ATOM 1070 H ARG A 733 -2.831 7.893 1.311 1.00 0.00 H ATOM 1071 N ARG A 734 -5.624 8.635 -0.213 1.00 29.09 N ATOM 1072 CA ARG A 734 -6.639 9.335 -0.991 1.00 35.53 C ATOM 1073 C ARG A 734 -6.589 8.913 -2.454 1.00 34.46 C ATOM 1074 O ARG A 734 -7.629 8.666 -3.075 1.00 28.98 O ATOM 1075 CB ARG A 734 -6.442 10.844 -0.860 1.00 37.35 C ATOM 1076 CG ARG A 734 -6.517 11.365 0.560 1.00 41.90 C ATOM 1077 H ARG A 734 -4.907 9.178 0.309 1.00 0.00 H ATOM 1078 N GLN A 735 -5.381 8.798 -3.009 1.00 30.44 N ATOM 1079 CA GLN A 735 -5.228 8.390 -4.399 1.00 31.82 C ATOM 1080 C GLN A 735 -5.617 6.935 -4.588 1.00 33.58 C ATOM 1081 O GLN A 735 -6.199 6.571 -5.612 1.00 30.99 O ATOM 1082 CB GLN A 735 -3.785 8.628 -4.849 1.00 23.54 C ATOM 1083 CG GLN A 735 -3.336 10.059 -4.659 1.00 32.25 C ATOM 1084 CD GLN A 735 -4.167 11.026 -5.480 1.00 45.82 C ATOM 1085 OE1 GLN A 735 -4.609 12.067 -4.988 1.00 50.88 O ATOM 1086 NE2 GLN A 735 -4.392 10.680 -6.741 1.00 47.91 N ATOM 1087 HE22 GLN A 735 -4.000 9.792 -7.115 1.00 0.00 H ATOM 1088 HE21 GLN A 735 -4.961 11.296 -7.356 1.00 0.00 H ATOM 1089 H GLN A 735 -4.535 9.003 -2.440 1.00 0.00 H ATOM 1090 N ALA A 736 -5.319 6.090 -3.602 1.00 33.87 N ATOM 1091 CA ALA A 736 -5.730 4.696 -3.690 1.00 33.28 C ATOM 1092 C ALA A 736 -7.240 4.561 -3.631 1.00 35.35 C ATOM 1093 O ALA A 736 -7.795 3.620 -4.205 1.00 40.89 O ATOM 1094 CB ALA A 736 -5.089 3.882 -2.568 1.00 34.61 C ATOM 1095 H ALA A 736 -4.793 6.426 -2.770 1.00 0.00 H ATOM 1096 N GLU A 737 -7.913 5.490 -2.948 1.00 29.72 N ATOM 1097 CA GLU A 737 -9.364 5.408 -2.801 1.00 34.90 C ATOM 1098 C GLU A 737 -10.053 5.544 -4.153 1.00 49.18 C ATOM 1099 O GLU A 737 -10.892 4.715 -4.525 1.00 56.89 O ATOM 1100 CB GLU A 737 -9.851 6.486 -1.830 1.00 35.01 C ATOM 1101 H GLU A 737 -7.397 6.283 -2.515 1.00 0.00 H ATOM 1102 N LYS A 738 -9.695 6.580 -4.912 1.00 50.27 N ATOM 1103 CA LYS A 738 -10.260 6.814 -6.240 1.00 47.69 C ATOM 1104 C LYS A 738 -9.518 5.956 -7.269 1.00 57.48 C ATOM 1105 O LYS A 738 -8.829 6.444 -8.169 1.00 62.54 O ATOM 1106 CB LYS A 738 -10.193 8.294 -6.586 1.00 40.71 C ATOM 1107 CG LYS A 738 -8.989 9.012 -6.002 1.00 35.66 C ATOM 1108 CD LYS A 738 -9.023 10.507 -6.277 1.00 32.40 C ATOM 1109 H LYS A 738 -8.987 7.247 -4.545 1.00 0.00 H ATOM 1110 N MET A 739 -9.670 4.642 -7.118 1.00 54.78 N ATOM 1111 CA MET A 739 -9.074 3.678 -8.040 1.00 52.38 C ATOM 1112 C MET A 739 -9.980 2.471 -8.231 1.00 53.63 C ATOM 1113 O MET A 739 -9.587 1.341 -7.935 1.00 55.67 O ATOM 1114 CB MET A 739 -7.703 3.213 -7.540 1.00 49.68 C ATOM 1115 CG MET A 739 -6.534 4.053 -8.023 1.00 48.23 C ATOM 1116 SD MET A 739 -4.922 3.286 -7.734 1.00 44.22 S ATOM 1117 CE MET A 739 -3.842 4.677 -8.045 1.00 40.02 C ATOM 1118 H MET A 739 -10.232 4.290 -6.317 1.00 0.00 H TER 1119 MET A 739 HETATM 1120 O HOH 1 -2.160 8.003 7.792 1.00 35.31 O HETATM 1121 O HOH 2 19.550 -9.124 25.117 1.00 55.48 O HETATM 1122 O HOH 3 8.261 -13.933 2.079 1.00 46.94 O HETATM 1123 O HOH 4 16.139 6.961 3.541 1.00 21.94 O HETATM 1124 O HOH 5 12.549 13.394 7.963 1.00 38.86 O HETATM 1125 O HOH 6 15.487 4.474 4.247 1.00 28.83 O HETATM 1126 O HOH 7 8.671 -5.105 -10.228 1.00 36.70 O HETATM 1127 O HOH 8 12.794 -6.442 8.430 1.00 24.06 O HETATM 1128 O HOH 9 14.307 -8.383 2.796 1.00 40.61 O HETATM 1129 O HOH 10 -5.510 -5.818 -5.372 1.00 43.62 O HETATM 1130 O HOH 11 18.435 0.422 21.348 1.00 43.09 O HETATM 1131 O HOH 12 15.556 -5.316 -5.093 1.00 42.66 O HETATM 1132 O HOH 13 11.069 10.707 9.456 1.00 32.50 O HETATM 1133 O HOH 14 6.136 -8.223 18.123 1.00 26.06 O HETATM 1134 O HOH 15 3.239 -6.090 -21.042 1.00 41.60 O HETATM 1135 O HOH 16 19.531 -2.632 8.551 1.00 39.29 O HETATM 1136 O HOH 17 12.902 -2.107 15.145 1.00 21.45 O HETATM 1137 O HOH 18 13.509 -6.048 -4.218 1.00 45.67 O HETATM 1138 O HOH 19 2.059 -6.859 8.592 1.00 39.57 O HETATM 1139 O HOH 20 -8.971 0.333 5.983 1.00 21.62 O HETATM 1140 O HOH 21 15.855 11.368 2.456 1.00 38.65 O HETATM 1141 O HOH 22 15.360 12.431 9.665 1.00 42.65 O HETATM 1142 O HOH 23 -0.635 -8.162 -13.246 1.00 49.06 O HETATM 1143 O HOH 24 20.399 -6.300 8.040 1.00 36.53 O HETATM 1144 O HOH 25 8.665 11.941 1.111 1.00 24.62 O HETATM 1145 O HOH 26 10.228 -13.988 16.827 1.00 40.20 O HETATM 1146 O HOH 27 1.139 -3.249 11.678 1.00 20.15 O HETATM 1147 O HOH 28 5.497 14.096 6.157 1.00 40.82 O HETATM 1148 O HOH 29 -2.478 -5.411 11.122 1.00 36.57 O HETATM 1149 O HOH 30 -0.020 4.649 10.107 1.00 38.20 O HETATM 1150 O HOH 31 13.095 13.886 3.913 1.00 36.95 O HETATM 1151 O HOH 32 2.173 -2.158 14.168 1.00 19.06 O HETATM 1152 O HOH 33 16.219 8.666 9.582 1.00 39.05 O HETATM 1153 O HOH 34 4.481 8.823 20.947 1.00 37.51 O HETATM 1154 O HOH 35 6.905 -13.703 11.876 1.00 36.03 O HETATM 1155 O HOH 36 12.749 9.019 11.201 1.00 25.94 O HETATM 1156 O HOH 37 2.188 8.382 -3.011 1.00 19.74 O HETATM 1157 O HOH 38 15.950 0.192 1.336 1.00 35.49 O HETATM 1158 O HOH 39 -1.185 -11.690 -4.642 1.00 30.25 O HETATM 1159 O HOH 40 -2.570 -4.358 -8.554 1.00 33.34 O HETATM 1160 O HOH 41 2.016 10.887 -0.469 1.00 22.40 O HETATM 1161 O HOH 42 1.909 -5.957 -3.961 1.00 25.68 O HETATM 1162 O HOH 43 8.412 9.104 -5.332 1.00 42.06 O HETATM 1163 O HOH 44 8.962 8.717 29.278 1.00 45.24 O HETATM 1164 O HOH 45 19.299 9.167 3.120 1.00 33.25 O HETATM 1165 O HOH 46 14.134 -4.730 24.097 1.00 35.38 O HETATM 1166 O HOH 47 11.719 -1.560 12.797 1.00 17.65 O HETATM 1167 O HOH 48 11.535 -4.455 12.307 1.00 22.36 O HETATM 1168 O HOH 49 -7.057 -0.610 1.978 1.00 25.93 O HETATM 1169 O HOH 50 5.290 -4.244 16.703 1.00 20.59 O HETATM 1170 O HOH 51 6.449 7.815 22.250 1.00 26.96 O HETATM 1171 O HOH 52 9.371 2.033 -4.421 1.00 28.36 O HETATM 1172 O HOH 53 0.982 12.474 10.873 1.00 32.51 O HETATM 1173 O HOH 54 18.675 -0.096 7.591 1.00 37.25 O HETATM 1174 O HOH 55 -6.649 -0.070 -1.413 1.00 31.02 O HETATM 1175 O HOH 56 16.122 -1.284 10.397 1.00 23.82 O HETATM 1176 O HOH 57 21.971 3.968 7.538 1.00 35.80 O HETATM 1177 O HOH 58 2.044 6.752 10.847 1.00 26.93 O HETATM 1178 O HOH 59 15.503 -8.012 11.384 1.00 26.82 O HETATM 1179 O HOH 60 18.322 -14.715 23.890 1.00 44.90 O HETATM 1180 O HOH 61 17.385 0.687 23.795 1.00 30.54 O HETATM 1181 O HOH 62 -1.260 -1.463 11.597 1.00 25.84 O HETATM 1182 O HOH 63 6.497 -7.691 15.196 1.00 27.58 O HETATM 1183 O HOH 64 12.620 3.602 28.057 1.00 27.20 O HETATM 1184 O HOH 65 20.270 8.672 23.605 1.00 49.84 O HETATM 1185 O HOH 66 10.921 12.298 17.634 1.00 39.55 O HETATM 1186 O HOH 67 -0.548 5.280 -10.312 1.00 31.51 O HETATM 1187 O HOH 68 13.990 -5.431 10.820 1.00 23.73 O HETATM 1188 O HOH 69 0.687 -6.662 5.631 1.00 39.33 O HETATM 1189 O HOH 70 6.985 12.994 -4.283 1.00 54.65 O HETATM 1190 O HOH 71 0.851 8.447 15.494 1.00 46.25 O HETATM 1191 O HOH 72 13.372 -1.383 10.722 1.00 17.00 O HETATM 1192 O HOH 73 2.786 4.379 12.211 1.00 24.32 O HETATM 1193 O HOH 74 -7.101 1.527 7.590 1.00 40.47 O HETATM 1194 O HOH 75 -6.545 -6.975 3.505 1.00 35.99 O HETATM 1195 O HOH 76 -9.585 1.485 3.779 1.00 45.13 O HETATM 1196 O HOH 77 10.297 -9.656 -4.763 1.00 48.06 O HETATM 1197 O HOH 78 16.268 10.511 16.416 1.00 33.00 O HETATM 1198 O HOH 79 10.086 0.793 -6.777 1.00 44.06 O HETATM 1199 O HOH 80 20.802 6.414 21.235 1.00 27.55 O HETATM 1200 O HOH 81 13.327 7.171 -1.952 1.00 44.21 O HETATM 1201 O HOH 82 14.580 5.555 28.247 1.00 26.79 O HETATM 1202 O HOH 83 -4.924 -0.656 -10.023 1.00 30.75 O HETATM 1203 O HOH 84 14.741 10.696 11.532 1.00 30.54 O HETATM 1204 O HOH 85 8.083 -2.318 25.114 1.00 37.92 O HETATM 1205 O HOH 86 19.779 4.603 19.256 1.00 38.65 O HETATM 1206 O HOH 87 17.785 12.403 18.127 1.00 37.23 O HETATM 1207 O HOH 88 19.654 -9.881 9.474 1.00 43.71 O HETATM 1208 O HOH 89 8.644 -13.309 10.672 1.00 51.91 O HETATM 1209 O HOH 90 0.706 16.259 8.721 1.00 35.41 O HETATM 1210 O HOH 91 -0.320 10.093 -6.227 1.00 46.84 O HETATM 1211 O HOH 92 16.107 6.058 0.843 1.00 48.02 O HETATM 1212 O HOH 93 0.718 14.810 10.761 1.00 55.69 O HETATM 1213 O HOH 94 6.027 13.288 0.319 1.00 41.62 O HETATM 1214 O HOH 95 -8.486 8.095 1.957 1.00 44.26 O HETATM 1215 O HOH 96 6.364 -6.463 -13.527 1.00 43.07 O HETATM 1216 O HOH 97 15.005 -0.740 -1.164 1.00 53.09 O HETATM 1217 O HOH 98 -1.775 1.674 13.890 1.00 38.67 O HETATM 1218 O HOH 99 12.086 -4.479 25.672 1.00 51.99 O HETATM 1219 O HOH 100 -2.919 -4.699 -15.883 1.00 36.57 O HETATM 1220 O HOH 101 3.564 14.585 3.148 1.00 39.27 O HETATM 1221 O HOH 102 -4.797 0.868 8.619 1.00 44.68 O HETATM 1222 O HOH 103 4.261 -3.998 19.362 1.00 47.23 O HETATM 1223 O HOH 104 11.038 -11.515 -2.694 1.00 45.54 O HETATM 1224 O HOH 105 3.214 13.276 0.420 1.00 35.87 O HETATM 1225 O HOH 106 12.391 14.848 5.712 1.00 46.47 O HETATM 1226 O HOH 107 13.171 -9.232 7.930 1.00 31.30 O HETATM 1227 O HOH 108 -2.069 -12.447 -2.240 1.00 40.44 O HETATM 1228 O HOH 109 -1.921 4.337 12.388 1.00 36.77 O HETATM 1229 O HOH 110 15.817 7.817 -0.224 1.00 43.73 O HETATM 1230 O HOH 111 13.276 8.087 29.002 1.00 33.81 O HETATM 1231 O HOH 112 18.417 12.894 3.128 1.00 34.09 O HETATM 1232 O HOH 113 0.832 12.228 -2.373 1.00 40.04 O HETATM 1233 O HOH 114 0.189 10.187 -4.083 1.00 39.30 O HETATM 1234 O HOH 115 3.652 -8.336 14.676 1.00 30.07 O HETATM 1235 O HOH 116 1.616 13.695 13.365 1.00 46.98 O HETATM 1236 O HOH 117 3.250 -5.974 16.631 1.00 44.43 O HETATM 1237 O HOH 118 -0.101 7.104 10.208 1.00 42.24 O HETATM 1238 O HOH 119 0.953 -4.140 15.905 1.00 38.28 O HETATM 1239 O HOH 120 5.456 15.791 7.677 1.00 55.40 O HETATM 1240 O HOH 121 4.667 -4.333 23.322 1.00 48.56 O HETATM 1241 O HOH 122 6.128 -1.762 24.123 1.00 34.18 O HETATM 1242 O HOH 123 17.009 5.036 28.867 1.00 40.47 O HETATM 1243 O HOH 124 0.339 -5.731 12.378 1.00 46.22 O HETATM 1244 O HOH 125 20.646 -8.773 7.790 1.00 42.75 O HETATM 1245 O HOH 126 12.330 6.224 -11.239 1.00 43.38 O HETATM 1246 O HOH 127 2.151 3.952 14.912 1.00 30.95 O HETATM 1247 O HOH 128 13.172 1.046 28.576 1.00 32.25 O HETATM 1248 O HOH 129 15.030 -10.206 9.869 1.00 33.07 O HETATM 1249 O HOH 130 19.076 1.625 25.837 1.00 42.59 O HETATM 1250 O HOH 131 17.203 -10.918 8.658 1.00 42.67 O HETATM 1251 O HOH 132 1.522 -5.337 18.194 1.00 36.65 O HETATM 1252 O HOH 133 -0.255 -8.593 15.359 1.00 43.25 O HETATM 1253 O HOH 134 22.043 6.282 -2.294 1.00 49.90 O HETATM 1254 O HOH 135 0.021 -6.154 14.881 1.00 39.55 O HETATM 1255 CAA AXN A 136 22.034 5.177 16.485 1.00 -0.06 C HETATM 1256 CBC AXN A 136 22.961 4.358 17.373 1.00 -0.04 C HETATM 1257 CAB AXN A 136 23.452 5.232 18.527 1.00 -0.06 C HETATM 1258 H4 AXN A 136 24.122 4.645 19.172 1.00 0.02 H HETATM 1259 H5 AXN A 136 22.590 5.581 19.115 1.00 0.02 H HETATM 1260 H6 AXN A 136 23.997 6.099 18.125 1.00 0.02 H HETATM 1261 CAS AXN A 136 24.150 3.909 16.538 1.00 -0.02 C HETATM 1262 CAU AXN A 136 23.942 2.624 16.049 1.00 -0.04 C HETATM 1263 CAI AXN A 136 23.866 2.399 14.678 1.00 -0.06 C HETATM 1264 CAK AXN A 136 23.673 1.110 14.194 1.00 -0.04 C HETATM 1265 CAW AXN A 136 23.545 0.051 15.089 1.00 0.11 C HETATM 1266 CAL AXN A 136 23.613 0.276 16.455 1.00 -0.04 C HETATM 1267 CAJ AXN A 136 23.808 1.564 16.939 1.00 -0.06 C HETATM 1268 H14 AXN A 136 23.855 1.742 18.007 1.00 0.06 H HETATM 1269 H16 AXN A 136 23.514 -0.553 17.146 1.00 0.06 H HETATM 1270 SBG AXN A 136 23.296 -1.566 14.470 1.00 0.08 S HETATM 1271 NAT AXN A 136 22.209 -1.441 13.244 1.00 -0.20 N HETATM 1272 CAV AXN A 136 20.931 -1.153 13.530 1.00 0.06 C HETATM 1273 CAM AXN A 136 20.289 -1.567 14.688 1.00 -0.04 C HETATM 1274 CBA AXN A 136 18.942 -1.218 14.872 1.00 0.07 C HETATM 1275 CBB AXN A 136 18.265 -0.468 13.911 1.00 0.07 C HETATM 1276 CAN AXN A 136 18.921 -0.063 12.754 1.00 -0.05 C HETATM 1277 CAX AXN A 136 20.249 -0.411 12.572 1.00 0.03 C HETATM 1278 NBD AXN A 136 20.852 0.006 11.465 1.00 -0.32 N HETATM 1279 CAQ AXN A 136 21.225 -0.740 10.235 1.00 0.02 C HETATM 1280 CAO AXN A 136 22.023 0.293 9.449 1.00 -0.03 C HETATM 1281 CAP AXN A 136 21.233 1.551 9.757 1.00 -0.03 C HETATM 1282 CAR AXN A 136 21.186 1.444 11.268 1.00 0.02 C HETATM 1283 H25 AXN A 136 20.408 2.097 11.691 1.00 0.05 H HETATM 1284 H26 AXN A 136 22.159 1.694 11.717 1.00 0.05 H HETATM 1285 H21 AXN A 136 20.228 1.525 9.311 1.00 0.03 H HETATM 1286 H22 AXN A 136 21.758 2.459 9.425 1.00 0.03 H HETATM 1287 H19 AXN A 136 23.059 0.366 9.811 1.00 0.03 H HETATM 1288 H20 AXN A 136 22.026 0.069 8.372 1.00 0.03 H HETATM 1289 H23 AXN A 136 21.841 -1.619 10.475 1.00 0.05 H HETATM 1290 H24 AXN A 136 20.332 -1.059 9.678 1.00 0.05 H HETATM 1291 H18 AXN A 136 18.399 0.519 12.003 1.00 0.03 H HETATM 1292 NBF AXN A 136 16.975 -0.141 14.088 1.00 -0.23 N HETATM 1293 CAD AXN A 136 16.253 0.656 13.079 1.00 0.04 C HETATM 1294 H10 AXN A 136 15.216 0.814 13.410 1.00 0.05 H HETATM 1295 H11 AXN A 136 16.253 0.119 12.119 1.00 0.05 H HETATM 1296 H12 AXN A 136 16.751 1.629 12.955 1.00 0.05 H HETATM 1297 CAZ AXN A 136 16.337 -0.527 15.202 1.00 0.31 C HETATM 1298 CAY AXN A 136 17.010 -1.277 16.161 1.00 0.31 C HETATM 1299 NBE AXN A 136 18.298 -1.605 15.981 1.00 -0.23 N HETATM 1300 CAC AXN A 136 18.994 -2.403 17.014 1.00 0.04 C HETATM 1301 H7 AXN A 136 18.300 -2.619 17.840 1.00 0.05 H HETATM 1302 H8 AXN A 136 19.855 -1.836 17.397 1.00 0.05 H HETATM 1303 H9 AXN A 136 19.344 -3.348 16.573 1.00 0.05 H HETATM 1304 OAE AXN A 136 16.440 -1.645 17.188 1.00 -0.35 O HETATM 1305 OAF AXN A 136 15.158 -0.218 15.357 1.00 -0.35 O HETATM 1306 H17 AXN A 136 20.817 -2.148 15.435 1.00 0.03 H HETATM 1307 H30 AXN A 136 22.497 -1.578 12.296 1.00 0.21 H HETATM 1308 OAG AXN A 136 24.585 -2.104 13.864 1.00 -0.15 O HETATM 1309 OAH AXN A 136 22.871 -2.500 15.604 1.00 -0.15 O HETATM 1310 H15 AXN A 136 23.622 0.930 13.126 1.00 0.06 H HETATM 1311 H13 AXN A 136 23.957 3.229 13.987 1.00 0.06 H HETATM 1312 H27 AXN A 136 24.282 4.601 15.693 1.00 0.04 H HETATM 1313 H28 AXN A 136 25.055 3.917 17.163 1.00 0.04 H HETATM 1314 H29 AXN A 136 22.427 3.482 17.769 1.00 0.03 H HETATM 1315 H1 AXN A 136 21.166 5.512 17.072 1.00 0.02 H HETATM 1316 H2 AXN A 136 21.691 4.558 15.643 1.00 0.02 H HETATM 1317 H3 AXN A 136 22.576 6.053 16.099 1.00 0.02 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1255 1256 1315 1316 1317 CONECT 1256 1255 1257 1261 1314 CONECT 1257 1256 1258 1259 1260 CONECT 1258 1257 CONECT 1259 1257 CONECT 1260 1257 CONECT 1261 1256 1262 1312 1313 CONECT 1262 1261 1263 1267 CONECT 1263 1262 1264 1311 CONECT 1264 1263 1265 1310 CONECT 1265 1264 1266 1270 CONECT 1266 1265 1267 1269 CONECT 1267 1262 1266 1268 CONECT 1268 1267 CONECT 1269 1266 CONECT 1270 1265 1271 1308 1309 CONECT 1271 1270 1272 1307 CONECT 1272 1271 1273 1277 CONECT 1273 1272 1274 1306 CONECT 1274 1273 1275 1299 CONECT 1275 1274 1276 1292 CONECT 1276 1275 1277 1291 CONECT 1277 1272 1276 1278 CONECT 1278 1277 1279 1282 CONECT 1279 1278 1280 1289 1290 CONECT 1280 1279 1281 1287 1288 CONECT 1281 1280 1282 1285 1286 CONECT 1282 1278 1281 1283 1284 CONECT 1283 1282 CONECT 1284 1282 CONECT 1285 1281 CONECT 1286 1281 CONECT 1287 1280 CONECT 1288 1280 CONECT 1289 1279 CONECT 1290 1279 CONECT 1291 1276 CONECT 1292 1275 1293 1297 CONECT 1293 1292 1294 1295 1296 CONECT 1294 1293 CONECT 1295 1293 CONECT 1296 1293 CONECT 1297 1292 1298 1305 CONECT 1298 1297 1299 1304 CONECT 1299 1274 1298 1300 CONECT 1300 1299 1301 1302 1303 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1300 CONECT 1304 1298 CONECT 1305 1297 CONECT 1306 1273 CONECT 1307 1271 CONECT 1308 1270 CONECT 1309 1270 CONECT 1310 1264 CONECT 1311 1263 CONECT 1312 1261 CONECT 1313 1261 CONECT 1314 1256 CONECT 1315 1255 CONECT 1316 1255 CONECT 1317 1255 MASTER 0 0 0 0 0 0 0 0 1316 1 67 9 END
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Structure:
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116aa, >5EQ1_1|Chain... at 97%
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PDBbind
116aa, >5ETB_1|Chain... at 97%
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RCSB PDB
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116aa, >5EVA_1|Chain... at 97%
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116aa, >5EWH_1|Chain... at 97%
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116aa, >5MWG_1|Chains... at 97%
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116aa, >5MWH_1|Chains... at 97%
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RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
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116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
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116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
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PDBbind
116aa, >5T4V_1|Chain... at 97%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ov8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Peregrin
Ligand Name
AXN
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Eur J Med Chem Vol. 155: pp. 337-352
Ligand Properties
Formula
C
2
4
H
3
0
N
4
O
4
S
Molecular Weight
470.584
Exact Mass
470.199
No. of atoms
63
No. of bonds
66
Polar Surface Area
101.79
LOGP Value
3.54 (
Computed with XLOGP3
)
4.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CC(Cc1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1N1CCCC1)n(C)c(=O)c(=O)n2C)C
InChI String
InChI=1S/C24H30N4O4S/c1-16(2)13-17-7-9-18(10-8-17)33(31,32)25-19-14-21-22(15-20(19)28-11-5-6-12-28)27(4)24(30)23(29)26(21)3/h7-10,14-16,25H,5-6,11-13H2,1-4H3
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
ASD
Information of known allosteric effects of PDB entries
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