Browse entries in the PDBbind-CN Database
HEADER 5OVC_COMPLEX COMPND 5OVC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 96 SER VAL ALA ILE LEU GLN LYS ARG ASP HIS GLU GLY PHE SEQRES 2 A 96 GLY PHE VAL LEU ARG GLY ALA LYS ALA GLU THR PRO ILE SEQRES 3 A 96 GLU GLU PHE THR PRO THR PRO ALA PHE PRO ALA LEU GLN SEQRES 4 A 96 TYR LEU GLU SER VAL ASP VAL GLU GLY VAL ALA TRP LYS SEQRES 5 A 96 ALA GLY LEU ARG THR GLY ASP PHE LEU ILE GLU VAL ASN SEQRES 6 A 96 GLY VAL ASN VAL VAL LYS VAL GLY HIS LYS GLN VAL VAL SEQRES 7 A 96 GLY LEU ILE ARG GLN GLY GLY ASN ARG LEU VAL MET LYS SEQRES 8 A 96 VAL VAL SER VAL THR HET ACE A 226 106 ATOM 1 N SER A 579 -3.712 -24.671 -8.380 1.00 33.30 N ATOM 2 CA SER A 579 -2.397 -24.733 -7.749 1.00 30.34 C ATOM 3 C SER A 579 -1.862 -23.335 -7.466 1.00 32.13 C ATOM 4 O SER A 579 -2.316 -22.354 -8.053 1.00 30.11 O ATOM 5 CB SER A 579 -1.412 -25.494 -8.634 1.00 31.38 C ATOM 6 OG SER A 579 -1.228 -24.824 -9.868 1.00 37.30 O ATOM 7 HG SER A 579 -0.587 -25.332 -10.426 1.00 0.00 H ATOM 8 HN3 SER A 579 -3.640 -24.152 -9.278 1.00 0.00 H ATOM 9 HN2 SER A 579 -4.376 -24.180 -7.747 1.00 0.00 H ATOM 10 HN1 SER A 579 -4.054 -25.636 -8.562 1.00 0.00 H ATOM 11 N VAL A 580 -0.893 -23.247 -6.560 1.00 24.28 N ATOM 12 CA VAL A 580 -0.291 -21.975 -6.181 1.00 23.15 C ATOM 13 C VAL A 580 1.192 -22.025 -6.511 1.00 27.64 C ATOM 14 O VAL A 580 1.890 -22.967 -6.121 1.00 35.22 O ATOM 15 CB VAL A 580 -0.515 -21.658 -4.691 1.00 38.20 C ATOM 16 CG1 VAL A 580 0.180 -20.355 -4.312 1.00 28.18 C ATOM 17 CG2 VAL A 580 -2.006 -21.562 -4.396 1.00 53.21 C ATOM 18 H VAL A 580 -0.552 -24.118 -6.105 1.00 0.00 H ATOM 19 N ALA A 581 1.664 -21.013 -7.229 1.00 23.84 N ATOM 20 CA ALA A 581 3.060 -20.891 -7.620 1.00 21.92 C ATOM 21 C ALA A 581 3.684 -19.730 -6.866 1.00 21.66 C ATOM 22 O ALA A 581 3.094 -18.646 -6.793 1.00 22.11 O ATOM 23 CB ALA A 581 3.189 -20.666 -9.129 1.00 22.28 C ATOM 24 H ALA A 581 1.002 -20.269 -7.527 1.00 0.00 H ATOM 25 N ILE A 582 4.873 -19.957 -6.319 1.00 20.44 N ATOM 26 CA ILE A 582 5.596 -18.962 -5.533 1.00 22.37 C ATOM 27 C ILE A 582 6.849 -18.578 -6.306 1.00 19.78 C ATOM 28 O ILE A 582 7.747 -19.411 -6.501 1.00 18.85 O ATOM 29 CB ILE A 582 5.944 -19.494 -4.134 1.00 20.01 C ATOM 30 CG1 ILE A 582 4.667 -19.814 -3.359 1.00 24.96 C ATOM 31 CG2 ILE A 582 6.791 -18.480 -3.368 1.00 18.67 C ATOM 32 CD1 ILE A 582 4.914 -20.515 -2.027 1.00 24.31 C ATOM 33 H ILE A 582 5.311 -20.890 -6.458 1.00 0.00 H ATOM 34 N LEU A 583 6.919 -17.313 -6.723 1.00 18.00 N ATOM 35 CA LEU A 583 7.974 -16.816 -7.598 1.00 19.73 C ATOM 36 C LEU A 583 8.802 -15.759 -6.886 1.00 17.43 C ATOM 37 O LEU A 583 8.255 -14.778 -6.374 1.00 20.91 O ATOM 38 CB LEU A 583 7.390 -16.218 -8.879 1.00 20.67 C ATOM 39 CG LEU A 583 6.701 -17.164 -9.866 1.00 17.14 C ATOM 40 CD1 LEU A 583 5.288 -17.495 -9.431 1.00 23.71 C ATOM 41 CD2 LEU A 583 6.710 -16.541 -11.255 1.00 19.62 C ATOM 42 H LEU A 583 6.184 -16.648 -6.408 1.00 0.00 H ATOM 43 N GLN A 584 10.120 -15.939 -6.899 1.00 19.03 N ATOM 44 CA GLN A 584 11.057 -15.022 -6.257 1.00 21.78 C ATOM 45 C GLN A 584 12.291 -14.944 -7.144 1.00 22.60 C ATOM 46 O GLN A 584 13.024 -15.929 -7.266 1.00 21.37 O ATOM 47 CB GLN A 584 11.405 -15.510 -4.849 1.00 21.67 C ATOM 48 CG GLN A 584 12.441 -14.679 -4.110 1.00 23.86 C ATOM 49 CD GLN A 584 12.512 -15.028 -2.628 1.00 22.93 C ATOM 50 OE1 GLN A 584 12.591 -14.142 -1.776 1.00 23.81 O ATOM 51 NE2 GLN A 584 12.501 -16.322 -2.316 1.00 21.71 N ATOM 52 HE22 GLN A 584 12.433 -17.038 -3.068 1.00 0.00 H ATOM 53 HE21 GLN A 584 12.560 -16.617 -1.321 1.00 0.00 H ATOM 54 H GLN A 584 10.501 -16.773 -7.390 1.00 0.00 H ATOM 55 N LYS A 585 12.517 -13.786 -7.761 1.00 23.23 N ATOM 56 CA LYS A 585 13.521 -13.635 -8.807 1.00 21.01 C ATOM 57 C LYS A 585 14.562 -12.589 -8.426 1.00 24.25 C ATOM 58 O LYS A 585 14.418 -11.854 -7.445 1.00 23.85 O ATOM 59 CB LYS A 585 12.868 -13.229 -10.133 1.00 23.16 C ATOM 60 CG LYS A 585 12.283 -11.828 -10.113 1.00 22.36 C ATOM 61 CD LYS A 585 11.763 -11.419 -11.484 1.00 21.79 C ATOM 62 CE LYS A 585 11.367 -9.957 -11.510 1.00 23.71 C ATOM 63 NZ LYS A 585 12.546 -9.050 -11.384 1.00 23.04 N ATOM 64 HZ1 LYS A 585 13.031 -9.237 -10.484 1.00 0.00 H ATOM 65 HZ2 LYS A 585 13.200 -9.222 -12.174 1.00 0.00 H ATOM 66 HZ3 LYS A 585 12.225 -8.061 -11.407 1.00 0.00 H ATOM 67 H LYS A 585 11.955 -12.956 -7.486 1.00 0.00 H ATOM 68 N ARG A 586 15.619 -12.533 -9.236 1.00 23.78 N ATOM 69 CA ARG A 586 16.639 -11.500 -9.126 1.00 24.92 C ATOM 70 C ARG A 586 16.159 -10.208 -9.780 1.00 22.49 C ATOM 71 O ARG A 586 15.334 -10.222 -10.697 1.00 19.05 O ATOM 72 CB ARG A 586 17.941 -11.957 -9.788 1.00 29.56 C ATOM 73 CG ARG A 586 18.593 -13.184 -9.150 1.00 47.38 C ATOM 74 CD ARG A 586 19.724 -13.727 -10.020 1.00 53.88 C ATOM 75 NE ARG A 586 20.418 -14.858 -9.405 1.00 69.06 N ATOM 76 CZ ARG A 586 21.521 -14.766 -8.663 1.00 58.38 C ATOM 77 NH1 ARG A 586 22.066 -15.863 -8.155 1.00 37.87 N ATOM 78 NH2 ARG A 586 22.084 -13.589 -8.424 1.00 76.23 N ATOM 79 HE ARG A 586 20.020 -15.807 -9.559 1.00 0.00 H ATOM 80 HH12 ARG A 586 22.927 -15.795 -7.575 1.00 0.00 H ATOM 81 HH11 ARG A 586 21.633 -16.791 -8.336 1.00 0.00 H ATOM 82 HH22 ARG A 586 22.945 -13.533 -7.843 1.00 0.00 H ATOM 83 HH21 ARG A 586 21.665 -12.722 -8.818 1.00 0.00 H ATOM 84 H ARG A 586 15.719 -13.256 -9.976 1.00 0.00 H ATOM 85 N ASP A 587 16.711 -9.084 -9.315 1.00 25.07 N ATOM 86 CA ASP A 587 16.269 -7.775 -9.796 1.00 24.17 C ATOM 87 C ASP A 587 16.300 -7.683 -11.318 1.00 24.84 C ATOM 88 O ASP A 587 15.343 -7.208 -11.939 1.00 26.42 O ATOM 89 CB ASP A 587 17.144 -6.671 -9.198 1.00 26.84 C ATOM 90 CG ASP A 587 16.492 -5.985 -8.018 1.00 93.53 C ATOM 91 OD1 ASP A 587 16.873 -6.284 -6.867 1.00140.49 O ATOM 92 OD2 ASP A 587 15.589 -5.152 -8.244 1.00 99.93 O ATOM 93 H ASP A 587 17.465 -9.140 -8.601 1.00 0.00 H ATOM 94 N HIS A 588 17.378 -8.179 -11.925 1.00 19.44 N ATOM 95 CA HIS A 588 17.726 -7.939 -13.322 1.00 23.49 C ATOM 96 C HIS A 588 17.077 -8.916 -14.295 1.00 24.27 C ATOM 97 O HIS A 588 17.261 -8.765 -15.508 1.00 20.94 O ATOM 98 CB HIS A 588 19.250 -8.007 -13.490 1.00 24.09 C ATOM 99 CG HIS A 588 19.849 -9.317 -13.075 1.00 22.50 C ATOM 100 ND1 HIS A 588 20.390 -9.525 -11.825 1.00 39.27 N ATOM 101 CD2 HIS A 588 19.992 -10.486 -13.744 1.00 25.61 C ATOM 102 CE1 HIS A 588 20.842 -10.764 -11.742 1.00 25.35 C ATOM 103 NE2 HIS A 588 20.610 -11.369 -12.892 1.00 25.47 N ATOM 104 H HIS A 588 18.016 -8.779 -11.364 1.00 0.00 H ATOM 105 N GLU A 589 16.333 -9.904 -13.809 1.00 21.79 N ATOM 106 CA GLU A 589 15.753 -10.928 -14.661 1.00 23.40 C ATOM 107 C GLU A 589 14.236 -10.812 -14.607 1.00 19.19 C ATOM 108 O GLU A 589 13.669 -10.154 -13.728 1.00 20.92 O ATOM 109 CB GLU A 589 16.201 -12.340 -14.248 1.00 22.00 C ATOM 110 CG GLU A 589 15.549 -12.861 -12.982 1.00 23.20 C ATOM 111 CD GLU A 589 16.186 -14.149 -12.480 1.00 34.72 C ATOM 112 OE1 GLU A 589 16.771 -14.889 -13.299 1.00 32.28 O ATOM 113 OE2 GLU A 589 16.111 -14.419 -11.263 1.00 29.58 O ATOM 114 H GLU A 589 16.160 -9.946 -12.784 1.00 0.00 H ATOM 115 N GLY A 590 13.586 -11.434 -15.583 1.00 21.28 N ATOM 116 CA GLY A 590 12.143 -11.510 -15.587 1.00 20.08 C ATOM 117 C GLY A 590 11.646 -12.758 -14.882 1.00 17.09 C ATOM 118 O GLY A 590 12.413 -13.673 -14.572 1.00 21.00 O ATOM 119 H GLY A 590 14.124 -11.874 -16.357 1.00 0.00 H ATOM 120 N PHE A 591 10.338 -12.768 -14.609 1.00 19.60 N ATOM 121 CA PHE A 591 9.696 -13.984 -14.128 1.00 22.30 C ATOM 122 C PHE A 591 9.636 -15.055 -15.210 1.00 19.28 C ATOM 123 O PHE A 591 9.540 -16.242 -14.885 1.00 21.60 O ATOM 124 CB PHE A 591 8.287 -13.682 -13.619 1.00 20.46 C ATOM 125 CG PHE A 591 8.254 -12.889 -12.337 1.00 19.74 C ATOM 126 CD1 PHE A 591 7.743 -11.601 -12.314 1.00 21.19 C ATOM 127 CD2 PHE A 591 8.731 -13.437 -11.154 1.00 24.15 C ATOM 128 CE1 PHE A 591 7.710 -10.875 -11.142 1.00 22.47 C ATOM 129 CE2 PHE A 591 8.701 -12.716 -9.977 1.00 20.98 C ATOM 130 CZ PHE A 591 8.194 -11.436 -9.965 1.00 19.51 C ATOM 131 H PHE A 591 9.775 -11.903 -14.741 1.00 0.00 H ATOM 132 N GLY A 592 9.688 -14.666 -16.481 1.00 21.14 N ATOM 133 CA GLY A 592 9.750 -15.632 -17.559 1.00 21.87 C ATOM 134 C GLY A 592 8.400 -16.158 -17.996 1.00 17.36 C ATOM 135 O GLY A 592 8.229 -17.369 -18.167 1.00 20.69 O ATOM 136 H GLY A 592 9.684 -13.650 -16.705 1.00 0.00 H ATOM 137 N PHE A 593 7.430 -15.265 -18.180 1.00 20.88 N ATOM 138 CA PHE A 593 6.164 -15.670 -18.768 1.00 15.99 C ATOM 139 C PHE A 593 5.547 -14.485 -19.488 1.00 18.48 C ATOM 140 O PHE A 593 5.914 -13.329 -19.259 1.00 21.94 O ATOM 141 CB PHE A 593 5.192 -16.259 -17.725 1.00 18.02 C ATOM 142 CG PHE A 593 4.706 -15.284 -16.669 1.00 19.06 C ATOM 143 CD1 PHE A 593 3.561 -14.532 -16.874 1.00 20.11 C ATOM 144 CD2 PHE A 593 5.351 -15.186 -15.443 1.00 21.48 C ATOM 145 CE1 PHE A 593 3.090 -13.666 -15.896 1.00 19.60 C ATOM 146 CE2 PHE A 593 4.886 -14.322 -14.460 1.00 20.07 C ATOM 147 CZ PHE A 593 3.756 -13.564 -14.685 1.00 21.00 C ATOM 148 H PHE A 593 7.579 -14.274 -17.902 1.00 0.00 H ATOM 149 N VAL A 594 4.630 -14.799 -20.397 1.00 19.06 N ATOM 150 CA VAL A 594 3.829 -13.803 -21.091 1.00 16.95 C ATOM 151 C VAL A 594 2.387 -13.991 -20.654 1.00 17.98 C ATOM 152 O VAL A 594 1.833 -15.096 -20.762 1.00 18.98 O ATOM 153 CB VAL A 594 3.958 -13.917 -22.617 1.00 19.62 C ATOM 154 CG1 VAL A 594 3.036 -12.917 -23.291 1.00 20.41 C ATOM 155 CG2 VAL A 594 5.398 -13.693 -23.051 1.00 23.11 C ATOM 156 H VAL A 594 4.478 -15.803 -20.622 1.00 0.00 H ATOM 157 N LEU A 595 1.791 -12.914 -20.154 1.00 18.71 N ATOM 158 CA LEU A 595 0.383 -12.875 -19.790 1.00 17.52 C ATOM 159 C LEU A 595 -0.410 -12.317 -20.965 1.00 17.46 C ATOM 160 O LEU A 595 -0.011 -11.314 -21.559 1.00 20.74 O ATOM 161 CB LEU A 595 0.181 -11.997 -18.555 1.00 20.07 C ATOM 162 CG LEU A 595 -1.220 -11.941 -17.952 1.00 21.73 C ATOM 163 CD1 LEU A 595 -1.501 -13.228 -17.189 1.00 20.77 C ATOM 164 CD2 LEU A 595 -1.375 -10.712 -17.051 1.00 22.49 C ATOM 165 H LEU A 595 2.360 -12.055 -20.016 1.00 0.00 H ATOM 166 N ARG A 596 -1.527 -12.965 -21.296 1.00 19.73 N ATOM 167 CA ARG A 596 -2.454 -12.473 -22.308 1.00 20.31 C ATOM 168 C ARG A 596 -3.868 -12.539 -21.752 1.00 20.46 C ATOM 169 O ARG A 596 -4.209 -13.478 -21.026 1.00 20.16 O ATOM 170 CB ARG A 596 -2.359 -13.293 -23.600 1.00 20.57 C ATOM 171 CG ARG A 596 -3.276 -12.818 -24.717 1.00 19.03 C ATOM 172 CD ARG A 596 -2.942 -13.530 -26.028 1.00 24.30 C ATOM 173 NE ARG A 596 -3.570 -14.849 -26.122 1.00 24.54 N ATOM 174 CZ ARG A 596 -2.975 -15.956 -26.572 1.00 25.54 C ATOM 175 NH1 ARG A 596 -1.707 -15.943 -26.960 1.00 26.83 N ATOM 176 NH2 ARG A 596 -3.658 -17.094 -26.632 1.00 23.80 N ATOM 177 HE ARG A 596 -4.560 -14.930 -25.813 1.00 0.00 H ATOM 178 HH12 ARG A 596 -1.261 -16.816 -27.308 1.00 0.00 H ATOM 179 HH11 ARG A 596 -1.159 -15.060 -26.917 1.00 0.00 H ATOM 180 HH22 ARG A 596 -3.198 -17.959 -26.982 1.00 0.00 H ATOM 181 HH21 ARG A 596 -4.653 -17.120 -26.329 1.00 0.00 H ATOM 182 H ARG A 596 -1.746 -13.859 -20.812 1.00 0.00 H ATOM 183 N GLY A 597 -4.688 -11.551 -22.088 1.00 18.85 N ATOM 184 CA GLY A 597 -6.070 -11.582 -21.658 1.00 21.33 C ATOM 185 C GLY A 597 -6.798 -10.288 -21.946 1.00 20.13 C ATOM 186 O GLY A 597 -6.260 -9.344 -22.543 1.00 21.14 O ATOM 187 H GLY A 597 -4.338 -10.756 -22.659 1.00 0.00 H ATOM 188 N ALA A 598 -8.052 -10.271 -21.498 1.00 19.85 N ATOM 189 CA ALA A 598 -9.006 -9.246 -21.909 1.00 21.10 C ATOM 190 C ALA A 598 -8.585 -7.852 -21.454 1.00 21.41 C ATOM 191 O ALA A 598 -8.187 -7.645 -20.303 1.00 21.14 O ATOM 192 CB ALA A 598 -10.388 -9.578 -21.348 1.00 23.81 C ATOM 193 H ALA A 598 -8.361 -11.011 -20.835 1.00 0.00 H ATOM 194 N LYS A 599 -8.691 -6.890 -22.367 1.00 24.23 N ATOM 195 CA LYS A 599 -8.468 -5.492 -22.029 1.00 30.05 C ATOM 196 C LYS A 599 -9.653 -4.937 -21.251 1.00 30.80 C ATOM 197 O LYS A 599 -10.805 -5.319 -21.474 1.00 33.45 O ATOM 198 CB LYS A 599 -8.262 -4.657 -23.292 1.00 27.71 C ATOM 199 CG LYS A 599 -6.941 -4.881 -23.997 1.00 30.08 C ATOM 200 CD LYS A 599 -6.919 -4.141 -25.330 1.00 30.76 C ATOM 201 CE LYS A 599 -5.511 -3.810 -25.786 1.00 79.24 C ATOM 202 NZ LYS A 599 -5.504 -3.262 -27.173 1.00 64.84 N ATOM 203 HZ1 LYS A 599 -5.906 -3.966 -27.825 1.00 0.00 H ATOM 204 HZ2 LYS A 599 -6.075 -2.393 -27.204 1.00 0.00 H ATOM 205 HZ3 LYS A 599 -4.526 -3.046 -27.454 1.00 0.00 H ATOM 206 H LYS A 599 -8.939 -7.143 -23.345 1.00 0.00 H ATOM 207 N ALA A 600 -9.361 -4.001 -20.345 1.00 33.63 N ATOM 208 CA ALA A 600 -10.421 -3.365 -19.569 1.00 35.49 C ATOM 209 C ALA A 600 -11.386 -2.591 -20.459 1.00 38.17 C ATOM 210 O ALA A 600 -12.555 -2.407 -20.094 1.00 39.49 O ATOM 211 CB ALA A 600 -9.811 -2.436 -18.522 1.00 40.69 C ATOM 212 H ALA A 600 -8.371 -3.723 -20.191 1.00 0.00 H ATOM 213 N GLU A 601 -10.924 -2.126 -21.624 1.00 39.41 N ATOM 214 CA GLU A 601 -11.788 -1.335 -22.495 1.00 42.43 C ATOM 215 C GLU A 601 -12.877 -2.176 -23.150 1.00 38.26 C ATOM 216 O GLU A 601 -13.844 -1.612 -23.672 1.00 40.96 O ATOM 217 CB GLU A 601 -10.954 -0.632 -23.569 1.00 48.81 C ATOM 218 CG GLU A 601 -10.448 -1.548 -24.676 1.00 72.89 C ATOM 219 CD GLU A 601 -9.498 -0.846 -25.629 1.00102.05 C ATOM 220 OE1 GLU A 601 -9.069 0.286 -25.320 1.00113.57 O ATOM 221 OE2 GLU A 601 -9.182 -1.427 -26.688 1.00 77.69 O ATOM 222 H GLU A 601 -9.945 -2.329 -21.911 1.00 0.00 H ATOM 223 N THR A 602 -12.753 -3.499 -23.133 1.00 37.30 N ATOM 224 CA THR A 602 -13.798 -4.360 -23.670 1.00 39.72 C ATOM 225 C THR A 602 -14.857 -4.595 -22.598 1.00 39.82 C ATOM 226 O THR A 602 -14.682 -4.213 -21.442 1.00 34.04 O ATOM 227 CB THR A 602 -13.190 -5.669 -24.175 1.00 47.21 C ATOM 228 OG1 THR A 602 -12.680 -6.441 -23.078 1.00 32.87 O ATOM 229 CG2 THR A 602 -12.056 -5.385 -25.157 1.00 38.51 C ATOM 230 HG1 THR A 602 -11.981 -5.921 -22.607 1.00 0.00 H ATOM 231 H THR A 602 -11.895 -3.927 -22.729 1.00 0.00 H ATOM 232 N PRO A 603 -16.006 -5.190 -22.957 1.00 37.51 N ATOM 233 CA PRO A 603 -17.079 -5.391 -21.961 1.00 39.63 C ATOM 234 C PRO A 603 -16.790 -6.551 -21.011 1.00 38.52 C ATOM 235 O PRO A 603 -17.517 -7.547 -20.953 1.00 33.17 O ATOM 236 CB PRO A 603 -18.312 -5.643 -22.846 1.00 37.88 C ATOM 237 CG PRO A 603 -17.910 -5.290 -24.245 1.00 48.16 C ATOM 238 CD PRO A 603 -16.451 -5.541 -24.313 1.00 42.72 C ATOM 239 N ILE A 604 -15.706 -6.424 -20.240 1.00 31.96 N ATOM 240 CA ILE A 604 -15.344 -7.482 -19.304 1.00 36.89 C ATOM 241 C ILE A 604 -16.423 -7.688 -18.247 1.00 30.92 C ATOM 242 O ILE A 604 -16.467 -8.745 -17.609 1.00 33.76 O ATOM 243 CB ILE A 604 -13.976 -7.189 -18.643 1.00 42.91 C ATOM 244 CG1 ILE A 604 -13.967 -5.808 -17.980 1.00 56.07 C ATOM 245 CG2 ILE A 604 -12.853 -7.310 -19.670 1.00 37.34 C ATOM 246 CD1 ILE A 604 -12.715 -5.532 -17.155 1.00 50.82 C ATOM 247 H ILE A 604 -15.119 -5.568 -20.308 1.00 0.00 H ATOM 248 N GLU A 605 -17.312 -6.710 -18.049 1.00 35.24 N ATOM 249 CA GLU A 605 -18.386 -6.886 -17.078 1.00 36.81 C ATOM 250 C GLU A 605 -19.391 -7.949 -17.506 1.00 36.24 C ATOM 251 O GLU A 605 -20.191 -8.390 -16.671 1.00 41.50 O ATOM 252 CB GLU A 605 -19.111 -5.557 -16.829 1.00 41.39 C ATOM 253 CG GLU A 605 -19.939 -5.023 -18.003 1.00 52.20 C ATOM 254 CD GLU A 605 -19.110 -4.261 -19.020 1.00 65.89 C ATOM 255 OE1 GLU A 605 -19.710 -3.618 -19.909 1.00 49.41 O ATOM 256 OE2 GLU A 605 -17.864 -4.297 -18.928 1.00 48.21 O ATOM 257 H GLU A 605 -17.238 -5.823 -18.587 1.00 0.00 H ATOM 258 N GLU A 606 -19.364 -8.371 -18.769 1.00 33.50 N ATOM 259 CA GLU A 606 -20.292 -9.366 -19.293 1.00 35.12 C ATOM 260 C GLU A 606 -19.740 -10.786 -19.214 1.00 44.24 C ATOM 261 O GLU A 606 -20.434 -11.728 -19.610 1.00 53.17 O ATOM 262 CB GLU A 606 -20.644 -9.034 -20.752 1.00 34.79 C ATOM 263 CG GLU A 606 -21.103 -7.595 -20.974 1.00 37.77 C ATOM 264 CD GLU A 606 -21.434 -7.294 -22.429 1.00 60.75 C ATOM 265 OE1 GLU A 606 -21.312 -8.205 -23.276 1.00 41.99 O ATOM 266 OE2 GLU A 606 -21.818 -6.142 -22.727 1.00 47.83 O ATOM 267 H GLU A 606 -18.649 -7.973 -19.410 1.00 0.00 H ATOM 268 N PHE A 607 -18.522 -10.960 -18.706 1.00 36.83 N ATOM 269 CA PHE A 607 -17.870 -12.265 -18.685 1.00 34.90 C ATOM 270 C PHE A 607 -18.368 -13.105 -17.514 1.00 40.49 C ATOM 271 O PHE A 607 -18.452 -12.620 -16.381 1.00 42.68 O ATOM 272 CB PHE A 607 -16.354 -12.088 -18.601 1.00 32.40 C ATOM 273 CG PHE A 607 -15.607 -13.338 -18.215 1.00 40.39 C ATOM 274 CD1 PHE A 607 -15.532 -14.420 -19.076 1.00 38.39 C ATOM 275 CD2 PHE A 607 -14.954 -13.414 -16.998 1.00 34.13 C ATOM 276 CE1 PHE A 607 -14.827 -15.563 -18.720 1.00 30.69 C ATOM 277 CE2 PHE A 607 -14.250 -14.547 -16.638 1.00 25.99 C ATOM 278 CZ PHE A 607 -14.181 -15.621 -17.495 1.00 28.46 C ATOM 279 H PHE A 607 -18.019 -10.140 -18.312 1.00 0.00 H ATOM 280 N THR A 608 -18.688 -14.366 -17.790 1.00 36.17 N ATOM 281 CA THR A 608 -19.091 -15.326 -16.759 1.00 35.27 C ATOM 282 C THR A 608 -18.090 -16.474 -16.708 1.00 48.29 C ATOM 283 O THR A 608 -18.044 -17.289 -17.650 1.00 40.82 O ATOM 284 CB THR A 608 -20.495 -15.862 -17.036 1.00 59.26 C ATOM 285 OG1 THR A 608 -21.441 -14.790 -16.954 1.00 48.31 O ATOM 286 CG2 THR A 608 -20.875 -16.946 -16.030 1.00 66.56 C ATOM 287 HG1 THR A 608 -22.350 -15.139 -17.134 1.00 0.00 H ATOM 288 H THR A 608 -18.651 -14.684 -18.779 1.00 0.00 H ATOM 289 N PRO A 609 -17.286 -16.603 -15.649 1.00 37.63 N ATOM 290 CA PRO A 609 -16.297 -17.690 -15.603 1.00 40.16 C ATOM 291 C PRO A 609 -16.950 -19.063 -15.650 1.00 50.02 C ATOM 292 O PRO A 609 -18.008 -19.291 -15.060 1.00 41.84 O ATOM 293 CB PRO A 609 -15.578 -17.465 -14.267 1.00 41.94 C ATOM 294 CG PRO A 609 -15.855 -16.059 -13.896 1.00 52.21 C ATOM 295 CD PRO A 609 -17.187 -15.718 -14.475 1.00 32.25 C ATOM 296 N THR A 610 -16.296 -19.983 -16.349 1.00 40.07 N ATOM 297 CA THR A 610 -16.732 -21.366 -16.447 1.00 58.10 C ATOM 298 C THR A 610 -15.503 -22.263 -16.424 1.00 36.27 C ATOM 299 O THR A 610 -14.389 -21.805 -16.696 1.00 28.43 O ATOM 300 CB THR A 610 -17.541 -21.625 -17.726 1.00 77.38 C ATOM 301 OG1 THR A 610 -16.676 -21.592 -18.869 1.00 41.18 O ATOM 302 CG2 THR A 610 -18.634 -20.577 -17.895 1.00 94.90 C ATOM 303 HG1 THR A 610 -16.245 -20.703 -18.930 1.00 0.00 H ATOM 304 H THR A 610 -15.430 -19.700 -16.851 1.00 0.00 H ATOM 305 N PRO A 611 -15.671 -23.544 -16.089 1.00 43.60 N ATOM 306 CA PRO A 611 -14.504 -24.442 -16.090 1.00 53.43 C ATOM 307 C PRO A 611 -13.792 -24.505 -17.428 1.00 45.87 C ATOM 308 O PRO A 611 -12.586 -24.774 -17.463 1.00 35.40 O ATOM 309 CB PRO A 611 -15.109 -25.797 -15.702 1.00 52.76 C ATOM 310 CG PRO A 611 -16.326 -25.449 -14.923 1.00 41.16 C ATOM 311 CD PRO A 611 -16.877 -24.213 -15.573 1.00 77.23 C ATOM 312 N ALA A 612 -14.499 -24.261 -18.534 1.00 39.21 N ATOM 313 CA ALA A 612 -13.864 -24.273 -19.846 1.00 37.76 C ATOM 314 C ALA A 612 -13.089 -22.992 -20.119 1.00 50.27 C ATOM 315 O ALA A 612 -12.150 -23.004 -20.920 1.00 37.99 O ATOM 316 CB ALA A 612 -14.913 -24.486 -20.936 1.00 32.09 C ATOM 317 H ALA A 612 -15.517 -24.060 -18.458 1.00 0.00 H ATOM 318 N PHE A 613 -13.470 -21.887 -19.482 1.00 30.41 N ATOM 319 CA PHE A 613 -12.751 -20.619 -19.610 1.00 25.13 C ATOM 320 C PHE A 613 -12.856 -19.907 -18.268 1.00 26.47 C ATOM 321 O PHE A 613 -13.750 -19.081 -18.046 1.00 27.39 O ATOM 322 CB PHE A 613 -13.317 -19.761 -20.744 1.00 26.91 C ATOM 323 CG PHE A 613 -12.306 -18.828 -21.356 1.00 22.78 C ATOM 324 CD1 PHE A 613 -11.898 -17.688 -20.684 1.00 23.35 C ATOM 325 CD2 PHE A 613 -11.754 -19.103 -22.597 1.00 27.42 C ATOM 326 CE1 PHE A 613 -10.964 -16.835 -21.233 1.00 24.02 C ATOM 327 CE2 PHE A 613 -10.827 -18.254 -23.159 1.00 22.85 C ATOM 328 CZ PHE A 613 -10.423 -17.116 -22.472 1.00 24.86 C ATOM 329 H PHE A 613 -14.310 -21.926 -18.870 1.00 0.00 H ATOM 330 N PRO A 614 -11.968 -20.232 -17.325 1.00 24.70 N ATOM 331 CA PRO A 614 -12.184 -19.828 -15.930 1.00 23.82 C ATOM 332 C PRO A 614 -11.717 -18.433 -15.539 1.00 25.76 C ATOM 333 O PRO A 614 -12.005 -18.019 -14.408 1.00 27.63 O ATOM 334 CB PRO A 614 -11.392 -20.894 -15.151 1.00 28.00 C ATOM 335 CG PRO A 614 -10.310 -21.290 -16.064 1.00 26.71 C ATOM 336 CD PRO A 614 -10.872 -21.207 -17.454 1.00 28.31 C ATOM 337 N ALA A 615 -11.022 -17.695 -16.401 1.00 23.67 N ATOM 338 CA ALA A 615 -10.563 -16.363 -16.026 1.00 21.04 C ATOM 339 C ALA A 615 -10.257 -15.564 -17.282 1.00 20.41 C ATOM 340 O ALA A 615 -10.099 -16.121 -18.369 1.00 22.05 O ATOM 341 CB ALA A 615 -9.327 -16.426 -15.120 1.00 23.87 C ATOM 342 H ALA A 615 -10.805 -18.070 -17.346 1.00 0.00 H ATOM 343 N LEU A 616 -10.152 -14.243 -17.106 1.00 22.50 N ATOM 344 CA LEU A 616 -9.903 -13.346 -18.230 1.00 24.39 C ATOM 345 C LEU A 616 -8.444 -13.334 -18.671 1.00 21.61 C ATOM 346 O LEU A 616 -8.172 -13.061 -19.845 1.00 22.67 O ATOM 347 CB LEU A 616 -10.330 -11.920 -17.875 1.00 22.61 C ATOM 348 CG LEU A 616 -11.831 -11.639 -17.786 1.00 22.78 C ATOM 349 CD1 LEU A 616 -12.076 -10.178 -17.458 1.00 23.59 C ATOM 350 CD2 LEU A 616 -12.539 -12.005 -19.082 1.00 23.71 C ATOM 351 H LEU A 616 -10.250 -13.847 -16.149 1.00 0.00 H ATOM 352 N GLN A 617 -7.499 -13.600 -17.762 1.00 19.88 N ATOM 353 CA GLN A 617 -6.074 -13.574 -18.069 1.00 21.84 C ATOM 354 C GLN A 617 -5.476 -14.964 -17.901 1.00 20.48 C ATOM 355 O GLN A 617 -5.895 -15.738 -17.038 1.00 21.97 O ATOM 356 CB GLN A 617 -5.301 -12.604 -17.163 1.00 21.87 C ATOM 357 CG GLN A 617 -5.983 -11.270 -16.891 1.00 19.83 C ATOM 358 CD GLN A 617 -6.177 -10.431 -18.138 1.00 21.71 C ATOM 359 OE1 GLN A 617 -5.345 -10.435 -19.046 1.00 22.05 O ATOM 360 NE2 GLN A 617 -7.277 -9.695 -18.182 1.00 23.21 N ATOM 361 HE22 GLN A 617 -7.953 -9.722 -17.392 1.00 0.00 H ATOM 362 HE21 GLN A 617 -7.465 -9.090 -19.006 1.00 0.00 H ATOM 363 H GLN A 617 -7.794 -13.836 -16.793 1.00 0.00 H ATOM 364 N TYR A 618 -4.469 -15.264 -18.714 1.00 18.58 N ATOM 365 CA TYR A 618 -3.868 -16.592 -18.716 1.00 20.58 C ATOM 366 C TYR A 618 -2.455 -16.484 -19.273 1.00 19.37 C ATOM 367 O TYR A 618 -2.057 -15.449 -19.819 1.00 19.62 O ATOM 368 CB TYR A 618 -4.720 -17.575 -19.534 1.00 20.98 C ATOM 369 CG TYR A 618 -5.041 -17.046 -20.911 1.00 20.84 C ATOM 370 CD1 TYR A 618 -6.167 -16.267 -21.128 1.00 21.88 C ATOM 371 CD2 TYR A 618 -4.200 -17.297 -21.983 1.00 21.88 C ATOM 372 CE1 TYR A 618 -6.454 -15.757 -22.387 1.00 20.78 C ATOM 373 CE2 TYR A 618 -4.479 -16.795 -23.243 1.00 18.79 C ATOM 374 CZ TYR A 618 -5.604 -16.030 -23.437 1.00 19.71 C ATOM 375 OH TYR A 618 -5.880 -15.532 -24.681 1.00 21.94 O ATOM 376 HH TYR A 618 -6.719 -15.008 -24.647 1.00 0.00 H ATOM 377 H TYR A 618 -4.102 -14.537 -19.361 1.00 0.00 H ATOM 378 N LEU A 619 -1.694 -17.568 -19.115 1.00 19.83 N ATOM 379 CA LEU A 619 -0.296 -17.612 -19.539 1.00 18.08 C ATOM 380 C LEU A 619 -0.232 -18.017 -21.009 1.00 20.44 C ATOM 381 O LEU A 619 -0.523 -19.165 -21.368 1.00 20.91 O ATOM 382 CB LEU A 619 0.513 -18.569 -18.663 1.00 22.30 C ATOM 383 CG LEU A 619 0.519 -18.247 -17.164 1.00 21.35 C ATOM 384 CD1 LEU A 619 1.513 -19.141 -16.414 1.00 23.45 C ATOM 385 CD2 LEU A 619 0.845 -16.778 -16.896 1.00 20.10 C ATOM 386 H LEU A 619 -2.111 -18.413 -18.674 1.00 0.00 H ATOM 387 N GLU A 620 0.145 -17.061 -21.858 1.00 20.20 N ATOM 388 CA GLU A 620 0.380 -17.355 -23.266 1.00 23.20 C ATOM 389 C GLU A 620 1.582 -18.267 -23.437 1.00 20.23 C ATOM 390 O GLU A 620 1.585 -19.144 -24.309 1.00 23.99 O ATOM 391 CB GLU A 620 0.587 -16.051 -24.039 1.00 22.90 C ATOM 392 CG GLU A 620 1.299 -16.211 -25.380 1.00 24.47 C ATOM 393 CD GLU A 620 1.436 -14.898 -26.118 1.00 30.07 C ATOM 394 OE1 GLU A 620 0.428 -14.168 -26.218 1.00 28.16 O ATOM 395 OE2 GLU A 620 2.554 -14.592 -26.592 1.00 29.31 O ATOM 396 H GLU A 620 0.274 -16.089 -21.510 1.00 0.00 H ATOM 397 N SER A 621 2.622 -18.053 -22.634 1.00 21.77 N ATOM 398 CA SER A 621 3.828 -18.860 -22.715 1.00 23.54 C ATOM 399 C SER A 621 4.595 -18.738 -21.407 1.00 21.02 C ATOM 400 O SER A 621 4.427 -17.779 -20.645 1.00 20.63 O ATOM 401 CB SER A 621 4.710 -18.437 -23.896 1.00 26.97 C ATOM 402 OG SER A 621 5.155 -17.104 -23.753 1.00 26.06 O ATOM 403 HG SER A 621 5.683 -17.021 -22.920 1.00 0.00 H ATOM 404 H SER A 621 2.570 -17.289 -21.931 1.00 0.00 H ATOM 405 N VAL A 622 5.447 -19.730 -21.167 1.00 22.30 N ATOM 406 CA VAL A 622 6.326 -19.774 -20.003 1.00 20.03 C ATOM 407 C VAL A 622 7.710 -20.203 -20.478 1.00 23.72 C ATOM 408 O VAL A 622 7.852 -21.257 -21.111 1.00 24.87 O ATOM 409 CB VAL A 622 5.807 -20.740 -18.925 1.00 23.89 C ATOM 410 CG1 VAL A 622 6.749 -20.758 -17.724 1.00 21.14 C ATOM 411 CG2 VAL A 622 4.395 -20.357 -18.496 1.00 21.43 C ATOM 412 H VAL A 622 5.489 -20.517 -21.845 1.00 0.00 H ATOM 413 N ASP A 623 8.725 -19.395 -20.181 1.00 20.25 N ATOM 414 CA ASP A 623 10.080 -19.712 -20.612 1.00 22.65 C ATOM 415 C ASP A 623 10.573 -20.975 -19.916 1.00 24.81 C ATOM 416 O ASP A 623 10.525 -21.077 -18.688 1.00 21.85 O ATOM 417 CB ASP A 623 11.039 -18.562 -20.306 1.00 20.56 C ATOM 418 CG ASP A 623 10.665 -17.271 -21.006 1.00 26.03 C ATOM 419 OD1 ASP A 623 11.160 -16.212 -20.576 1.00 35.87 O ATOM 420 OD2 ASP A 623 9.879 -17.312 -21.971 1.00 35.60 O ATOM 421 H ASP A 623 8.549 -18.528 -19.635 1.00 0.00 H ATOM 422 N VAL A 624 11.070 -21.932 -20.698 1.00 24.77 N ATOM 423 CA VAL A 624 11.585 -23.165 -20.115 1.00 23.26 C ATOM 424 C VAL A 624 12.774 -22.844 -19.221 1.00 25.91 C ATOM 425 O VAL A 624 13.683 -22.099 -19.606 1.00 26.49 O ATOM 426 CB VAL A 624 11.956 -24.166 -21.219 1.00 28.38 C ATOM 427 CG1 VAL A 624 12.579 -25.421 -20.622 1.00 36.28 C ATOM 428 CG2 VAL A 624 10.727 -24.532 -22.024 1.00 32.23 C ATOM 429 H VAL A 624 11.091 -21.799 -21.729 1.00 0.00 H ATOM 430 N GLU A 625 12.764 -23.411 -18.014 1.00 25.83 N ATOM 431 CA GLU A 625 13.789 -23.207 -16.989 1.00 28.58 C ATOM 432 C GLU A 625 13.898 -21.751 -16.534 1.00 27.39 C ATOM 433 O GLU A 625 14.901 -21.362 -15.926 1.00 34.10 O ATOM 434 CB GLU A 625 15.160 -23.710 -17.456 1.00 32.05 C ATOM 435 CG GLU A 625 15.224 -25.213 -17.745 1.00 42.88 C ATOM 436 CD GLU A 625 14.848 -26.072 -16.553 1.00 88.34 C ATOM 437 OE1 GLU A 625 14.823 -25.552 -15.419 1.00 78.10 O ATOM 438 OE2 GLU A 625 14.575 -27.274 -16.754 1.00107.60 O ATOM 439 H GLU A 625 11.971 -24.044 -17.784 1.00 0.00 H ATOM 440 N GLY A 626 12.884 -20.931 -16.799 1.00 27.01 N ATOM 441 CA GLY A 626 12.780 -19.638 -16.160 1.00 24.40 C ATOM 442 C GLY A 626 12.187 -19.758 -14.762 1.00 19.96 C ATOM 443 O GLY A 626 11.844 -20.839 -14.284 1.00 21.53 O ATOM 444 H GLY A 626 12.153 -21.225 -17.478 1.00 0.00 H ATOM 445 N VAL A 627 12.058 -18.607 -14.097 1.00 21.46 N ATOM 446 CA VAL A 627 11.573 -18.593 -12.715 1.00 19.99 C ATOM 447 C VAL A 627 10.165 -19.175 -12.632 1.00 20.43 C ATOM 448 O VAL A 627 9.871 -20.016 -11.775 1.00 19.08 O ATOM 449 CB VAL A 627 11.624 -17.161 -12.147 1.00 20.98 C ATOM 450 CG1 VAL A 627 10.953 -17.088 -10.768 1.00 25.54 C ATOM 451 CG2 VAL A 627 13.060 -16.676 -12.073 1.00 23.90 C ATOM 452 H VAL A 627 12.304 -17.712 -14.565 1.00 0.00 H ATOM 453 N ALA A 628 9.269 -18.719 -13.511 1.00 20.64 N ATOM 454 CA ALA A 628 7.898 -19.221 -13.505 1.00 18.55 C ATOM 455 C ALA A 628 7.860 -20.714 -13.799 1.00 20.72 C ATOM 456 O ALA A 628 7.108 -21.465 -13.165 1.00 21.23 O ATOM 457 CB ALA A 628 7.058 -18.447 -14.523 1.00 19.39 C ATOM 458 H ALA A 628 9.551 -17.999 -14.207 1.00 0.00 H ATOM 459 N TRP A 629 8.656 -21.158 -14.769 1.00 18.81 N ATOM 460 CA TRP A 629 8.755 -22.580 -15.076 1.00 23.14 C ATOM 461 C TRP A 629 9.193 -23.373 -13.851 1.00 23.15 C ATOM 462 O TRP A 629 8.578 -24.386 -13.493 1.00 23.13 O ATOM 463 CB TRP A 629 9.737 -22.777 -16.227 1.00 25.59 C ATOM 464 CG TRP A 629 9.973 -24.205 -16.596 1.00 23.79 C ATOM 465 CD1 TRP A 629 10.824 -25.086 -15.991 1.00 24.49 C ATOM 466 CD2 TRP A 629 9.358 -24.915 -17.672 1.00 25.49 C ATOM 467 NE1 TRP A 629 10.770 -26.302 -16.623 1.00 28.09 N ATOM 468 CE2 TRP A 629 9.877 -26.222 -17.660 1.00 25.66 C ATOM 469 CE3 TRP A 629 8.414 -24.571 -18.644 1.00 25.67 C ATOM 470 CZ2 TRP A 629 9.483 -27.187 -18.580 1.00 35.84 C ATOM 471 CZ3 TRP A 629 8.026 -25.529 -19.559 1.00 34.68 C ATOM 472 CH2 TRP A 629 8.559 -26.820 -19.520 1.00 34.75 C ATOM 473 HE1 TRP A 629 11.317 -27.146 -16.359 1.00 0.00 H ATOM 474 H TRP A 629 9.218 -20.477 -15.319 1.00 0.00 H ATOM 475 N LYS A 630 10.267 -22.931 -13.196 1.00 20.93 N ATOM 476 CA LYS A 630 10.761 -23.653 -12.028 1.00 22.08 C ATOM 477 C LYS A 630 9.746 -23.640 -10.890 1.00 22.26 C ATOM 478 O LYS A 630 9.746 -24.545 -10.052 1.00 23.95 O ATOM 479 CB LYS A 630 12.093 -23.057 -11.571 1.00 40.59 C ATOM 480 CG LYS A 630 13.246 -23.356 -12.515 1.00 41.46 C ATOM 481 CD LYS A 630 14.582 -22.865 -11.966 1.00 42.22 C ATOM 482 CE LYS A 630 14.836 -21.404 -12.313 1.00 41.26 C ATOM 483 NZ LYS A 630 16.212 -20.964 -11.943 1.00 73.29 N ATOM 484 HZ1 LYS A 630 16.348 -21.080 -10.919 1.00 0.00 H ATOM 485 HZ2 LYS A 630 16.909 -21.542 -12.454 1.00 0.00 H ATOM 486 HZ3 LYS A 630 16.335 -19.964 -12.199 1.00 0.00 H ATOM 487 H LYS A 630 10.754 -22.070 -13.518 1.00 0.00 H ATOM 488 N ALA A 631 8.886 -22.628 -10.838 1.00 21.87 N ATOM 489 CA ALA A 631 7.816 -22.593 -9.848 1.00 20.90 C ATOM 490 C ALA A 631 6.608 -23.425 -10.257 1.00 21.01 C ATOM 491 O ALA A 631 5.648 -23.507 -9.484 1.00 22.79 O ATOM 492 CB ALA A 631 7.383 -21.149 -9.587 1.00 20.59 C ATOM 493 H ALA A 631 8.978 -21.846 -11.517 1.00 0.00 H ATOM 494 N GLY A 632 6.634 -24.044 -11.440 1.00 24.61 N ATOM 495 CA GLY A 632 5.599 -24.973 -11.850 1.00 21.53 C ATOM 496 C GLY A 632 4.569 -24.429 -12.817 1.00 21.25 C ATOM 497 O GLY A 632 3.675 -25.183 -13.226 1.00 25.31 O ATOM 498 H GLY A 632 7.424 -23.853 -12.089 1.00 0.00 H ATOM 499 N LEU A 633 4.660 -23.156 -13.192 1.00 21.07 N ATOM 500 CA LEU A 633 3.716 -22.570 -14.130 1.00 22.10 C ATOM 501 C LEU A 633 3.967 -23.088 -15.540 1.00 23.43 C ATOM 502 O LEU A 633 5.102 -23.372 -15.928 1.00 21.88 O ATOM 503 CB LEU A 633 3.827 -21.046 -14.108 1.00 18.24 C ATOM 504 CG LEU A 633 3.383 -20.387 -12.798 1.00 20.22 C ATOM 505 CD1 LEU A 633 3.673 -18.898 -12.819 1.00 23.16 C ATOM 506 CD2 LEU A 633 1.905 -20.630 -12.549 1.00 21.96 C ATOM 507 H LEU A 633 5.424 -22.566 -12.805 1.00 0.00 H ATOM 508 N ARG A 634 2.886 -23.217 -16.308 1.00 20.05 N ATOM 509 CA ARG A 634 2.965 -23.731 -17.667 1.00 20.04 C ATOM 510 C ARG A 634 2.028 -22.944 -18.574 1.00 18.38 C ATOM 511 O ARG A 634 1.068 -22.317 -18.123 1.00 20.10 O ATOM 512 CB ARG A 634 2.619 -25.223 -17.715 1.00 23.25 C ATOM 513 CG ARG A 634 3.604 -26.123 -16.967 1.00 23.25 C ATOM 514 CD ARG A 634 4.977 -26.132 -17.625 1.00 24.69 C ATOM 515 NE ARG A 634 5.897 -27.098 -17.018 1.00 26.20 N ATOM 516 CZ ARG A 634 6.676 -26.855 -15.966 1.00 28.63 C ATOM 517 NH1 ARG A 634 6.655 -25.673 -15.362 1.00 22.08 N ATOM 518 NH2 ARG A 634 7.485 -27.805 -15.512 1.00 27.17 N ATOM 519 HE ARG A 634 5.945 -28.047 -17.442 1.00 0.00 H ATOM 520 HH12 ARG A 634 7.269 -25.497 -14.541 1.00 0.00 H ATOM 521 HH11 ARG A 634 6.024 -24.923 -15.710 1.00 0.00 H ATOM 522 HH22 ARG A 634 8.095 -27.620 -14.691 1.00 0.00 H ATOM 523 HH21 ARG A 634 7.508 -28.735 -15.978 1.00 0.00 H ATOM 524 H ARG A 634 1.959 -22.942 -15.925 1.00 0.00 H ATOM 525 N THR A 635 2.327 -22.987 -19.870 1.00 22.94 N ATOM 526 CA THR A 635 1.449 -22.406 -20.877 1.00 21.64 C ATOM 527 C THR A 635 0.014 -22.887 -20.679 1.00 19.57 C ATOM 528 O THR A 635 -0.235 -24.066 -20.416 1.00 24.03 O ATOM 529 CB THR A 635 1.951 -22.787 -22.275 1.00 24.42 C ATOM 530 OG1 THR A 635 3.252 -22.219 -22.486 1.00 27.81 O ATOM 531 CG2 THR A 635 1.001 -22.288 -23.356 1.00 26.37 C ATOM 532 HG1 THR A 635 3.878 -22.568 -21.803 1.00 0.00 H ATOM 533 H THR A 635 3.210 -23.447 -20.172 1.00 0.00 H ATOM 534 N GLY A 636 -0.937 -21.959 -20.810 1.00 23.13 N ATOM 535 CA GLY A 636 -2.345 -22.271 -20.670 1.00 26.62 C ATOM 536 C GLY A 636 -2.909 -22.128 -19.269 1.00 24.45 C ATOM 537 O GLY A 636 -4.123 -22.283 -19.091 1.00 32.72 O ATOM 538 H GLY A 636 -0.658 -20.979 -21.020 1.00 0.00 H ATOM 539 N ASP A 637 -2.076 -21.846 -18.272 1.00 20.24 N ATOM 540 CA ASP A 637 -2.571 -21.645 -16.916 1.00 18.17 C ATOM 541 C ASP A 637 -3.404 -20.367 -16.840 1.00 22.69 C ATOM 542 O ASP A 637 -2.956 -19.295 -17.257 1.00 24.27 O ATOM 543 CB ASP A 637 -1.405 -21.561 -15.927 1.00 21.85 C ATOM 544 CG ASP A 637 -0.772 -22.917 -15.617 1.00 25.68 C ATOM 545 OD1 ASP A 637 -1.323 -23.961 -16.013 1.00 24.58 O ATOM 546 OD2 ASP A 637 0.294 -22.931 -14.959 1.00 26.96 O ATOM 547 H ASP A 637 -1.057 -21.768 -18.462 1.00 0.00 H ATOM 548 N PHE A 638 -4.619 -20.481 -16.307 1.00 19.19 N ATOM 549 CA PHE A 638 -5.489 -19.329 -16.087 1.00 17.74 C ATOM 550 C PHE A 638 -5.236 -18.734 -14.708 1.00 19.89 C ATOM 551 O PHE A 638 -5.135 -19.461 -13.720 1.00 22.45 O ATOM 552 CB PHE A 638 -6.960 -19.729 -16.207 1.00 21.44 C ATOM 553 CG PHE A 638 -7.421 -19.937 -17.620 1.00 25.45 C ATOM 554 CD1 PHE A 638 -7.203 -21.143 -18.262 1.00 22.65 C ATOM 555 CD2 PHE A 638 -8.083 -18.926 -18.301 1.00 20.20 C ATOM 556 CE1 PHE A 638 -7.628 -21.335 -19.558 1.00 24.52 C ATOM 557 CE2 PHE A 638 -8.511 -19.110 -19.595 1.00 24.73 C ATOM 558 CZ PHE A 638 -8.286 -20.314 -20.228 1.00 28.07 C ATOM 559 H PHE A 638 -4.961 -21.425 -16.037 1.00 0.00 H ATOM 560 N LEU A 639 -5.153 -17.403 -14.645 1.00 21.87 N ATOM 561 CA LEU A 639 -4.848 -16.703 -13.398 1.00 22.26 C ATOM 562 C LEU A 639 -6.106 -16.470 -12.570 1.00 23.28 C ATOM 563 O LEU A 639 -7.012 -15.750 -13.001 1.00 21.96 O ATOM 564 CB LEU A 639 -4.190 -15.358 -13.678 1.00 25.17 C ATOM 565 CG LEU A 639 -2.674 -15.303 -13.734 1.00 28.24 C ATOM 566 CD1 LEU A 639 -2.186 -15.983 -15.000 1.00 51.64 C ATOM 567 CD2 LEU A 639 -2.229 -13.850 -13.667 1.00 22.23 C ATOM 568 H LEU A 639 -5.310 -16.847 -15.510 1.00 0.00 H ATOM 569 N ILE A 640 -6.128 -17.027 -11.364 1.00 19.44 N ATOM 570 CA ILE A 640 -7.232 -16.857 -10.423 1.00 21.16 C ATOM 571 C ILE A 640 -6.919 -15.789 -9.380 1.00 25.02 C ATOM 572 O ILE A 640 -7.762 -14.950 -9.068 1.00 22.52 O ATOM 573 CB ILE A 640 -7.565 -18.204 -9.743 1.00 24.13 C ATOM 574 CG1 ILE A 640 -7.809 -19.302 -10.782 1.00 24.28 C ATOM 575 CG2 ILE A 640 -8.762 -18.055 -8.802 1.00 29.35 C ATOM 576 CD1 ILE A 640 -8.793 -18.947 -11.887 1.00 26.81 C ATOM 577 H ILE A 640 -5.319 -17.613 -11.076 1.00 0.00 H ATOM 578 N GLU A 641 -5.719 -15.823 -8.809 1.00 22.47 N ATOM 579 CA GLU A 641 -5.325 -14.851 -7.798 1.00 21.50 C ATOM 580 C GLU A 641 -3.896 -14.390 -8.034 1.00 21.74 C ATOM 581 O GLU A 641 -3.046 -15.175 -8.457 1.00 21.13 O ATOM 582 CB GLU A 641 -5.432 -15.432 -6.382 1.00 25.09 C ATOM 583 CG GLU A 641 -6.831 -15.833 -5.973 1.00 33.45 C ATOM 584 CD GLU A 641 -6.919 -16.259 -4.521 1.00 44.59 C ATOM 585 OE1 GLU A 641 -8.038 -16.571 -4.069 1.00 38.61 O ATOM 586 OE2 GLU A 641 -5.873 -16.290 -3.833 1.00 36.31 O ATOM 587 H GLU A 641 -5.044 -16.562 -9.091 1.00 0.00 H ATOM 588 N VAL A 642 -3.645 -13.115 -7.739 1.00 20.43 N ATOM 589 CA VAL A 642 -2.302 -12.542 -7.697 1.00 20.78 C ATOM 590 C VAL A 642 -2.107 -11.946 -6.310 1.00 21.13 C ATOM 591 O VAL A 642 -2.839 -11.031 -5.914 1.00 20.90 O ATOM 592 CB VAL A 642 -2.092 -11.480 -8.787 1.00 21.45 C ATOM 593 CG1 VAL A 642 -0.727 -10.805 -8.644 1.00 21.22 C ATOM 594 CG2 VAL A 642 -2.225 -12.104 -10.160 1.00 22.66 C ATOM 595 H VAL A 642 -4.451 -12.493 -7.527 1.00 0.00 H ATOM 596 N ASN A 643 -1.126 -12.471 -5.572 1.00 19.68 N ATOM 597 CA ASN A 643 -0.800 -11.982 -4.233 1.00 21.18 C ATOM 598 C ASN A 643 -2.050 -11.897 -3.364 1.00 22.86 C ATOM 599 O ASN A 643 -2.267 -10.928 -2.631 1.00 24.86 O ATOM 600 CB ASN A 643 -0.080 -10.637 -4.307 1.00 20.67 C ATOM 601 CG ASN A 643 1.233 -10.727 -5.063 1.00 23.43 C ATOM 602 OD1 ASN A 643 1.925 -11.747 -5.016 1.00 23.04 O ATOM 603 ND2 ASN A 643 1.581 -9.660 -5.762 1.00 23.68 N ATOM 604 HD22 ASN A 643 0.966 -8.822 -5.772 1.00 0.00 H ATOM 605 HD21 ASN A 643 2.470 -9.659 -6.301 1.00 0.00 H ATOM 606 H ASN A 643 -0.572 -13.259 -5.965 1.00 0.00 H ATOM 607 N GLY A 644 -2.885 -12.932 -3.456 1.00 24.40 N ATOM 608 CA GLY A 644 -4.076 -13.043 -2.643 1.00 24.59 C ATOM 609 C GLY A 644 -5.277 -12.280 -3.154 1.00 27.03 C ATOM 610 O GLY A 644 -6.334 -12.328 -2.515 1.00 31.41 O ATOM 611 H GLY A 644 -2.672 -13.688 -4.138 1.00 0.00 H ATOM 612 N VAL A 645 -5.153 -11.576 -4.273 1.00 26.35 N ATOM 613 CA VAL A 645 -6.240 -10.779 -4.832 1.00 24.95 C ATOM 614 C VAL A 645 -6.853 -11.541 -6.000 1.00 25.53 C ATOM 615 O VAL A 645 -6.147 -11.924 -6.938 1.00 23.14 O ATOM 616 CB VAL A 645 -5.737 -9.396 -5.279 1.00 22.88 C ATOM 617 CG1 VAL A 645 -6.852 -8.609 -5.957 1.00 28.93 C ATOM 618 CG2 VAL A 645 -5.178 -8.623 -4.083 1.00 28.40 C ATOM 619 H VAL A 645 -4.241 -11.593 -4.773 1.00 0.00 H ATOM 620 N ASN A 646 -8.165 -11.757 -5.948 1.00 27.75 N ATOM 621 CA ASN A 646 -8.852 -12.457 -7.028 1.00 25.27 C ATOM 622 C ASN A 646 -8.853 -11.600 -8.288 1.00 24.28 C ATOM 623 O ASN A 646 -9.218 -10.421 -8.246 1.00 24.87 O ATOM 624 CB ASN A 646 -10.284 -12.793 -6.619 1.00 23.98 C ATOM 625 CG ASN A 646 -10.987 -13.672 -7.633 1.00 29.59 C ATOM 626 OD1 ASN A 646 -11.345 -13.221 -8.724 1.00 28.15 O ATOM 627 ND2 ASN A 646 -11.198 -14.933 -7.275 1.00 33.54 N ATOM 628 HD22 ASN A 646 -10.878 -15.270 -6.344 1.00 0.00 H ATOM 629 HD21 ASN A 646 -11.683 -15.584 -7.925 1.00 0.00 H ATOM 630 H ASN A 646 -8.708 -11.422 -5.127 1.00 0.00 H ATOM 631 N VAL A 647 -8.452 -12.197 -9.414 1.00 23.13 N ATOM 632 CA VAL A 647 -8.340 -11.467 -10.674 1.00 20.80 C ATOM 633 C VAL A 647 -9.131 -12.159 -11.783 1.00 20.02 C ATOM 634 O VAL A 647 -8.947 -11.858 -12.969 1.00 22.78 O ATOM 635 CB VAL A 647 -6.862 -11.299 -11.079 1.00 17.95 C ATOM 636 CG1 VAL A 647 -6.134 -10.427 -10.080 1.00 22.06 C ATOM 637 CG2 VAL A 647 -6.171 -12.663 -11.225 1.00 21.29 C ATOM 638 H VAL A 647 -8.213 -13.209 -9.393 1.00 0.00 H ATOM 639 N VAL A 648 -10.043 -13.062 -11.411 1.00 21.38 N ATOM 640 CA VAL A 648 -10.804 -13.816 -12.411 1.00 23.58 C ATOM 641 C VAL A 648 -11.481 -12.875 -13.402 1.00 21.46 C ATOM 642 O VAL A 648 -11.502 -13.133 -14.613 1.00 25.09 O ATOM 643 CB VAL A 648 -11.824 -14.737 -11.713 1.00 26.49 C ATOM 644 CG1 VAL A 648 -12.767 -15.381 -12.721 1.00 28.68 C ATOM 645 CG2 VAL A 648 -11.093 -15.810 -10.926 1.00 26.14 C ATOM 646 H VAL A 648 -10.215 -13.232 -10.399 1.00 0.00 H ATOM 647 N LYS A 649 -12.030 -11.766 -12.908 1.00 21.93 N ATOM 648 CA LYS A 649 -12.811 -10.845 -13.726 1.00 23.46 C ATOM 649 C LYS A 649 -12.135 -9.487 -13.881 1.00 23.36 C ATOM 650 O LYS A 649 -12.810 -8.479 -14.112 1.00 30.44 O ATOM 651 CB LYS A 649 -14.204 -10.660 -13.132 1.00 28.24 C ATOM 652 CG LYS A 649 -15.021 -11.932 -13.030 1.00 33.73 C ATOM 653 CD LYS A 649 -16.446 -11.610 -12.606 1.00 42.53 C ATOM 654 CE LYS A 649 -17.212 -12.845 -12.179 1.00 96.31 C ATOM 655 NZ LYS A 649 -18.574 -12.488 -11.692 1.00 72.52 N ATOM 656 HZ1 LYS A 649 -18.492 -11.847 -10.877 1.00 0.00 H ATOM 657 HZ2 LYS A 649 -19.101 -12.016 -12.454 1.00 0.00 H ATOM 658 HZ3 LYS A 649 -19.076 -13.353 -11.406 1.00 0.00 H ATOM 659 H LYS A 649 -11.896 -11.549 -11.900 1.00 0.00 H ATOM 660 N VAL A 650 -10.811 -9.443 -13.768 1.00 22.53 N ATOM 661 CA VAL A 650 -10.062 -8.190 -13.779 1.00 23.34 C ATOM 662 C VAL A 650 -9.375 -8.021 -15.126 1.00 23.84 C ATOM 663 O VAL A 650 -8.896 -8.994 -15.730 1.00 20.59 O ATOM 664 CB VAL A 650 -9.048 -8.150 -12.619 1.00 22.84 C ATOM 665 CG1 VAL A 650 -8.226 -6.873 -12.654 1.00 23.86 C ATOM 666 CG2 VAL A 650 -9.775 -8.267 -11.288 1.00 24.47 C ATOM 667 H VAL A 650 -10.288 -10.336 -13.668 1.00 0.00 H ATOM 668 N GLY A 651 -9.328 -6.778 -15.598 1.00 24.55 N ATOM 669 CA GLY A 651 -8.731 -6.475 -16.880 1.00 23.65 C ATOM 670 C GLY A 651 -7.216 -6.546 -16.852 1.00 19.50 C ATOM 671 O GLY A 651 -6.569 -6.558 -15.805 1.00 21.35 O ATOM 672 H GLY A 651 -9.731 -6.005 -15.031 1.00 0.00 H ATOM 673 N HIS A 652 -6.647 -6.561 -18.061 1.00 20.77 N ATOM 674 CA HIS A 652 -5.233 -6.884 -18.227 1.00 18.72 C ATOM 675 C HIS A 652 -4.327 -5.906 -17.477 1.00 19.05 C ATOM 676 O HIS A 652 -3.460 -6.323 -16.701 1.00 22.25 O ATOM 677 CB HIS A 652 -4.882 -6.904 -19.711 1.00 23.86 C ATOM 678 CG HIS A 652 -3.516 -7.441 -19.997 1.00 20.65 C ATOM 679 ND1 HIS A 652 -3.245 -8.791 -20.046 1.00 19.69 N ATOM 680 CD2 HIS A 652 -2.346 -6.813 -20.256 1.00 19.52 C ATOM 681 CE1 HIS A 652 -1.967 -8.972 -20.325 1.00 20.49 C ATOM 682 NE2 HIS A 652 -1.398 -7.786 -20.456 1.00 18.78 N ATOM 683 H HIS A 652 -7.222 -6.339 -18.899 1.00 0.00 H ATOM 684 N LYS A 653 -4.481 -4.603 -17.725 1.00 21.74 N ATOM 685 CA LYS A 653 -3.568 -3.635 -17.120 1.00 28.75 C ATOM 686 C LYS A 653 -3.610 -3.701 -15.597 1.00 24.92 C ATOM 687 O LYS A 653 -2.572 -3.579 -14.938 1.00 23.01 O ATOM 688 CB LYS A 653 -3.896 -2.226 -17.608 1.00 29.34 C ATOM 689 CG LYS A 653 -3.514 -1.993 -19.066 1.00 42.18 C ATOM 690 CD LYS A 653 -4.251 -0.808 -19.674 1.00 49.33 C ATOM 691 CE LYS A 653 -3.437 0.466 -19.601 1.00 72.81 C ATOM 692 NZ LYS A 653 -4.154 1.587 -20.269 1.00 65.33 N ATOM 693 HZ1 LYS A 653 -4.316 1.347 -21.268 1.00 0.00 H ATOM 694 HZ2 LYS A 653 -5.067 1.743 -19.797 1.00 0.00 H ATOM 695 HZ3 LYS A 653 -3.578 2.451 -20.207 1.00 0.00 H ATOM 696 H LYS A 653 -5.248 -4.278 -18.347 1.00 0.00 H ATOM 697 N GLN A 654 -4.795 -3.900 -15.016 1.00 25.13 N ATOM 698 CA GLN A 654 -4.884 -3.986 -13.561 1.00 21.75 C ATOM 699 C GLN A 654 -4.202 -5.241 -13.033 1.00 23.86 C ATOM 700 O GLN A 654 -3.576 -5.208 -11.967 1.00 22.84 O ATOM 701 CB GLN A 654 -6.344 -3.948 -13.113 1.00 26.51 C ATOM 702 CG GLN A 654 -6.997 -2.592 -13.270 1.00 54.81 C ATOM 703 CD GLN A 654 -8.319 -2.499 -12.536 1.00 81.65 C ATOM 704 OE1 GLN A 654 -9.157 -3.397 -12.625 1.00 55.22 O ATOM 705 NE2 GLN A 654 -8.509 -1.413 -11.798 1.00 84.36 N ATOM 706 HE22 GLN A 654 -7.773 -0.680 -11.753 1.00 0.00 H ATOM 707 HE21 GLN A 654 -9.394 -1.295 -11.265 1.00 0.00 H ATOM 708 H GLN A 654 -5.652 -3.993 -15.598 1.00 0.00 H ATOM 709 N VAL A 655 -4.306 -6.359 -13.755 1.00 20.60 N ATOM 710 CA VAL A 655 -3.616 -7.569 -13.320 1.00 19.71 C ATOM 711 C VAL A 655 -2.107 -7.379 -13.418 1.00 20.86 C ATOM 712 O VAL A 655 -1.358 -7.791 -12.522 1.00 22.23 O ATOM 713 CB VAL A 655 -4.096 -8.788 -14.131 1.00 19.17 C ATOM 714 CG1 VAL A 655 -3.288 -10.034 -13.763 1.00 18.99 C ATOM 715 CG2 VAL A 655 -5.568 -9.037 -13.872 1.00 22.75 C ATOM 716 H VAL A 655 -4.877 -6.368 -14.624 1.00 0.00 H ATOM 717 N VAL A 656 -1.636 -6.748 -14.495 1.00 20.00 N ATOM 718 CA VAL A 656 -0.206 -6.492 -14.633 1.00 21.46 C ATOM 719 C VAL A 656 0.278 -5.588 -13.509 1.00 21.15 C ATOM 720 O VAL A 656 1.378 -5.772 -12.973 1.00 20.12 O ATOM 721 CB VAL A 656 0.094 -5.890 -16.017 1.00 20.19 C ATOM 722 CG1 VAL A 656 1.512 -5.346 -16.070 1.00 21.64 C ATOM 723 CG2 VAL A 656 -0.106 -6.948 -17.097 1.00 19.89 C ATOM 724 H VAL A 656 -2.291 -6.437 -15.240 1.00 0.00 H ATOM 725 N GLY A 657 -0.534 -4.601 -13.134 1.00 21.09 N ATOM 726 CA GLY A 657 -0.165 -3.733 -12.027 1.00 26.74 C ATOM 727 C GLY A 657 -0.004 -4.490 -10.723 1.00 26.09 C ATOM 728 O GLY A 657 0.923 -4.229 -9.952 1.00 23.39 O ATOM 729 H GLY A 657 -1.434 -4.451 -13.634 1.00 0.00 H ATOM 730 N LEU A 658 -0.908 -5.434 -10.453 1.00 22.00 N ATOM 731 CA LEU A 658 -0.790 -6.239 -9.241 1.00 26.36 C ATOM 732 C LEU A 658 0.461 -7.109 -9.277 1.00 24.09 C ATOM 733 O LEU A 658 1.137 -7.272 -8.257 1.00 26.31 O ATOM 734 CB LEU A 658 -2.039 -7.102 -9.057 1.00 27.44 C ATOM 735 CG LEU A 658 -3.345 -6.370 -8.753 1.00 24.47 C ATOM 736 CD1 LEU A 658 -4.510 -7.333 -8.862 1.00 28.05 C ATOM 737 CD2 LEU A 658 -3.316 -5.736 -7.370 1.00 32.46 C ATOM 738 H LEU A 658 -1.699 -5.597 -11.108 1.00 0.00 H ATOM 739 N ILE A 659 0.783 -7.680 -10.440 1.00 20.91 N ATOM 740 CA ILE A 659 1.998 -8.482 -10.570 1.00 20.81 C ATOM 741 C ILE A 659 3.234 -7.626 -10.307 1.00 20.36 C ATOM 742 O ILE A 659 4.149 -8.032 -9.579 1.00 25.56 O ATOM 743 CB ILE A 659 2.056 -9.147 -11.958 1.00 20.69 C ATOM 744 CG1 ILE A 659 0.952 -10.213 -12.088 1.00 17.78 C ATOM 745 CG2 ILE A 659 3.433 -9.755 -12.195 1.00 22.62 C ATOM 746 CD1 ILE A 659 0.782 -10.794 -13.490 1.00 26.85 C ATOM 747 H ILE A 659 0.161 -7.553 -11.264 1.00 0.00 H ATOM 748 N ARG A 660 3.289 -6.431 -10.901 1.00 21.53 N ATOM 749 CA ARG A 660 4.478 -5.595 -10.762 1.00 22.47 C ATOM 750 C ARG A 660 4.615 -5.010 -9.363 1.00 25.57 C ATOM 751 O ARG A 660 5.725 -4.634 -8.970 1.00 29.68 O ATOM 752 CB ARG A 660 4.453 -4.469 -11.797 1.00 22.62 C ATOM 753 CG ARG A 660 4.690 -4.959 -13.221 1.00 29.16 C ATOM 754 CD ARG A 660 4.484 -3.852 -14.234 1.00 37.82 C ATOM 755 NE ARG A 660 4.840 -4.267 -15.592 1.00 28.12 N ATOM 756 CZ ARG A 660 4.449 -3.631 -16.693 1.00 27.81 C ATOM 757 NH1 ARG A 660 3.674 -2.558 -16.604 1.00 28.46 N ATOM 758 NH2 ARG A 660 4.824 -4.070 -17.889 1.00 25.51 N ATOM 759 HE ARG A 660 5.436 -5.112 -15.703 1.00 0.00 H ATOM 760 HH12 ARG A 660 3.370 -2.063 -17.467 1.00 0.00 H ATOM 761 HH11 ARG A 660 3.370 -2.212 -15.672 1.00 0.00 H ATOM 762 HH22 ARG A 660 4.516 -3.569 -18.747 1.00 0.00 H ATOM 763 HH21 ARG A 660 5.426 -4.914 -17.968 1.00 0.00 H ATOM 764 H ARG A 660 2.482 -6.095 -11.464 1.00 0.00 H ATOM 765 N GLN A 661 3.522 -4.946 -8.600 1.00 23.95 N ATOM 766 CA GLN A 661 3.551 -4.274 -7.304 1.00 27.78 C ATOM 767 C GLN A 661 4.450 -4.996 -6.304 1.00 26.42 C ATOM 768 O GLN A 661 5.029 -4.351 -5.420 1.00 26.58 O ATOM 769 CB GLN A 661 2.119 -4.140 -6.775 1.00 28.77 C ATOM 770 CG GLN A 661 1.943 -4.273 -5.270 1.00 46.47 C ATOM 771 CD GLN A 661 1.829 -5.717 -4.831 1.00 67.02 C ATOM 772 OE1 GLN A 661 1.086 -6.498 -5.424 1.00 60.04 O ATOM 773 NE2 GLN A 661 2.574 -6.082 -3.797 1.00 47.93 N ATOM 774 HE22 GLN A 661 3.188 -5.386 -3.327 1.00 0.00 H ATOM 775 HE21 GLN A 661 2.545 -7.064 -3.456 1.00 0.00 H ATOM 776 H GLN A 661 2.638 -5.381 -8.933 1.00 0.00 H ATOM 777 N GLY A 662 4.586 -6.318 -6.423 1.00 27.67 N ATOM 778 CA GLY A 662 5.441 -7.080 -5.529 1.00 29.75 C ATOM 779 C GLY A 662 6.914 -7.059 -5.873 1.00 22.73 C ATOM 780 O GLY A 662 7.728 -7.609 -5.121 1.00 25.22 O ATOM 781 H GLY A 662 4.067 -6.815 -7.175 1.00 0.00 H ATOM 782 N GLY A 663 7.283 -6.436 -6.988 1.00 24.96 N ATOM 783 CA GLY A 663 8.679 -6.357 -7.372 1.00 26.73 C ATOM 784 C GLY A 663 9.248 -7.697 -7.791 1.00 23.06 C ATOM 785 O GLY A 663 8.865 -8.247 -8.827 1.00 26.13 O ATOM 786 H GLY A 663 6.560 -5.999 -7.594 1.00 0.00 H ATOM 787 N ASN A 664 10.170 -8.235 -6.997 1.00 20.49 N ATOM 788 CA ASN A 664 10.801 -9.509 -7.312 1.00 22.63 C ATOM 789 C ASN A 664 10.051 -10.709 -6.749 1.00 19.49 C ATOM 790 O ASN A 664 10.499 -11.845 -6.945 1.00 21.99 O ATOM 791 CB ASN A 664 12.240 -9.512 -6.796 1.00 21.59 C ATOM 792 CG ASN A 664 13.116 -8.512 -7.516 1.00 22.32 C ATOM 793 OD1 ASN A 664 12.940 -8.262 -8.707 1.00 24.48 O ATOM 794 ND2 ASN A 664 14.068 -7.930 -6.794 1.00 30.07 N ATOM 795 HD22 ASN A 664 14.180 -8.173 -5.789 1.00 0.00 H ATOM 796 HD21 ASN A 664 14.701 -7.232 -7.234 1.00 0.00 H ATOM 797 H ASN A 664 10.447 -7.733 -6.129 1.00 0.00 H ATOM 798 N ARG A 665 8.927 -10.493 -6.066 1.00 18.04 N ATOM 799 CA ARG A 665 8.210 -11.556 -5.381 1.00 20.07 C ATOM 800 C ARG A 665 6.756 -11.570 -5.824 1.00 23.46 C ATOM 801 O ARG A 665 6.110 -10.519 -5.898 1.00 24.66 O ATOM 802 CB ARG A 665 8.331 -11.383 -3.866 1.00 21.92 C ATOM 803 CG ARG A 665 9.742 -11.648 -3.424 1.00 24.57 C ATOM 804 CD ARG A 665 10.050 -11.250 -1.998 1.00 24.71 C ATOM 805 NE ARG A 665 11.436 -11.611 -1.729 1.00 36.65 N ATOM 806 CZ ARG A 665 12.483 -10.824 -1.955 1.00 32.64 C ATOM 807 NH1 ARG A 665 13.704 -11.269 -1.693 1.00 35.11 N ATOM 808 NH2 ARG A 665 12.316 -9.591 -2.418 1.00 32.60 N ATOM 809 HE ARG A 665 11.619 -12.554 -1.331 1.00 0.00 H ATOM 810 HH12 ARG A 665 14.528 -10.659 -1.867 1.00 0.00 H ATOM 811 HH11 ARG A 665 13.838 -12.228 -1.313 1.00 0.00 H ATOM 812 HH22 ARG A 665 13.143 -8.984 -2.591 1.00 0.00 H ATOM 813 HH21 ARG A 665 11.359 -9.232 -2.608 1.00 0.00 H ATOM 814 H ARG A 665 8.548 -9.526 -6.021 1.00 0.00 H ATOM 815 N LEU A 666 6.247 -12.768 -6.095 1.00 21.24 N ATOM 816 CA LEU A 666 4.946 -12.941 -6.724 1.00 19.78 C ATOM 817 C LEU A 666 4.393 -14.301 -6.332 1.00 20.15 C ATOM 818 O LEU A 666 5.114 -15.302 -6.378 1.00 21.93 O ATOM 819 CB LEU A 666 5.071 -12.821 -8.246 1.00 19.62 C ATOM 820 CG LEU A 666 3.872 -13.220 -9.098 1.00 19.95 C ATOM 821 CD1 LEU A 666 2.681 -12.299 -8.844 1.00 19.86 C ATOM 822 CD2 LEU A 666 4.285 -13.198 -10.562 1.00 25.92 C ATOM 823 H LEU A 666 6.800 -13.614 -5.848 1.00 0.00 H ATOM 824 N VAL A 667 3.127 -14.323 -5.921 1.00 20.79 N ATOM 825 CA VAL A 667 2.392 -15.550 -5.640 1.00 18.37 C ATOM 826 C VAL A 667 1.160 -15.562 -6.530 1.00 21.46 C ATOM 827 O VAL A 667 0.381 -14.602 -6.530 1.00 25.53 O ATOM 828 CB VAL A 667 1.998 -15.650 -4.155 1.00 23.70 C ATOM 829 CG1 VAL A 667 1.161 -16.901 -3.905 1.00 25.53 C ATOM 830 CG2 VAL A 667 3.243 -15.639 -3.272 1.00 22.65 C ATOM 831 H VAL A 667 2.636 -13.415 -5.793 1.00 0.00 H ATOM 832 N MET A 668 0.967 -16.649 -7.273 1.00 22.71 N ATOM 833 CA MET A 668 -0.136 -16.728 -8.223 1.00 22.96 C ATOM 834 C MET A 668 -0.857 -18.059 -8.098 1.00 20.68 C ATOM 835 O MET A 668 -0.230 -19.121 -8.151 1.00 29.93 O ATOM 836 CB MET A 668 0.357 -16.539 -9.658 1.00 33.25 C ATOM 837 CG MET A 668 0.843 -15.135 -9.936 1.00 27.65 C ATOM 838 SD MET A 668 0.682 -14.692 -11.669 1.00 27.55 S ATOM 839 CE MET A 668 1.894 -15.777 -12.417 1.00 44.05 C ATOM 840 H MET A 668 1.615 -17.457 -7.174 1.00 0.00 H ATOM 841 N LYS A 669 -2.175 -17.990 -7.941 1.00 23.04 N ATOM 842 CA LYS A 669 -3.032 -19.164 -7.944 1.00 25.76 C ATOM 843 C LYS A 669 -3.591 -19.305 -9.349 1.00 22.51 C ATOM 844 O LYS A 669 -4.143 -18.346 -9.896 1.00 19.64 O ATOM 845 CB LYS A 669 -4.165 -19.030 -6.926 1.00 24.88 C ATOM 846 CG LYS A 669 -5.095 -20.231 -6.869 1.00 27.39 C ATOM 847 CD LYS A 669 -6.361 -19.930 -6.071 1.00 41.05 C ATOM 848 CE LYS A 669 -6.054 -19.408 -4.676 1.00 87.06 C ATOM 849 NZ LYS A 669 -5.164 -20.318 -3.908 1.00106.50 N ATOM 850 HZ1 LYS A 669 -5.622 -21.246 -3.809 1.00 0.00 H ATOM 851 HZ2 LYS A 669 -4.262 -20.428 -4.414 1.00 0.00 H ATOM 852 HZ3 LYS A 669 -4.987 -19.914 -2.966 1.00 0.00 H ATOM 853 H LYS A 669 -2.612 -17.055 -7.810 1.00 0.00 H ATOM 854 N VAL A 670 -3.436 -20.491 -9.933 1.00 20.94 N ATOM 855 CA VAL A 670 -3.819 -20.720 -11.318 1.00 20.27 C ATOM 856 C VAL A 670 -4.620 -22.012 -11.408 1.00 23.65 C ATOM 857 O VAL A 670 -4.578 -22.863 -10.518 1.00 23.16 O ATOM 858 CB VAL A 670 -2.590 -20.792 -12.252 1.00 21.11 C ATOM 859 CG1 VAL A 670 -1.768 -19.520 -12.156 1.00 26.72 C ATOM 860 CG2 VAL A 670 -1.732 -22.009 -11.917 1.00 25.95 C ATOM 861 H VAL A 670 -3.030 -21.276 -9.384 1.00 0.00 H ATOM 862 N VAL A 671 -5.348 -22.157 -12.515 1.00 25.54 N ATOM 863 CA VAL A 671 -5.978 -23.420 -12.877 1.00 24.02 C ATOM 864 C VAL A 671 -5.496 -23.788 -14.269 1.00 25.67 C ATOM 865 O VAL A 671 -5.489 -22.946 -15.173 1.00 26.01 O ATOM 866 CB VAL A 671 -7.518 -23.356 -12.817 1.00 32.40 C ATOM 867 CG1 VAL A 671 -7.966 -22.714 -11.522 1.00 31.47 C ATOM 868 CG2 VAL A 671 -8.107 -22.623 -14.007 1.00 80.64 C ATOM 869 H VAL A 671 -5.471 -21.338 -13.144 1.00 0.00 H ATOM 870 N SER A 672 -5.070 -25.032 -14.427 1.00 25.76 N ATOM 871 CA SER A 672 -4.505 -25.490 -15.685 1.00 31.87 C ATOM 872 C SER A 672 -5.622 -25.900 -16.628 1.00 33.39 C ATOM 873 O SER A 672 -6.522 -26.659 -16.254 1.00 38.86 O ATOM 874 CB SER A 672 -3.550 -26.659 -15.449 1.00 64.80 C ATOM 875 OG SER A 672 -2.429 -26.251 -14.679 1.00 61.90 O ATOM 876 HG SER A 672 -1.943 -25.535 -15.160 1.00 0.00 H ATOM 877 H SER A 672 -5.142 -25.698 -13.631 1.00 0.00 H ATOM 878 N VAL A 673 -5.569 -25.382 -17.854 1.00 51.62 N ATOM 879 CA VAL A 673 -6.498 -25.832 -18.881 1.00 63.39 C ATOM 880 C VAL A 673 -6.155 -27.250 -19.314 1.00 71.74 C ATOM 881 O VAL A 673 -7.041 -28.032 -19.683 1.00 79.84 O ATOM 882 CB VAL A 673 -6.472 -24.852 -20.068 1.00 89.84 C ATOM 883 CG1 VAL A 673 -5.113 -24.882 -20.770 1.00 82.79 C ATOM 884 CG2 VAL A 673 -7.600 -25.156 -21.035 1.00 54.25 C ATOM 885 H VAL A 673 -4.862 -24.654 -18.079 1.00 0.00 H ATOM 886 N THR A 674 -4.875 -27.604 -19.274 1.00 96.93 N ATOM 887 CA THR A 674 -4.413 -28.923 -19.679 1.00 93.55 C ATOM 888 C THR A 674 -4.807 -29.978 -18.651 1.00 89.86 C ATOM 889 O THR A 674 -4.668 -31.178 -18.891 1.00102.03 O ATOM 890 CB THR A 674 -2.883 -28.938 -19.870 1.00 98.57 C ATOM 891 OG1 THR A 674 -2.252 -28.295 -18.754 1.00 77.72 O ATOM 892 CG2 THR A 674 -2.495 -28.218 -21.156 1.00 91.55 C ATOM 893 OXT THR A 674 -5.273 -29.655 -17.558 1.00 97.30 O ATOM 894 HG1 THR A 674 -1.270 -28.306 -18.880 1.00 0.00 H ATOM 895 H THR A 674 -4.175 -26.911 -18.940 1.00 0.00 H TER 896 THR A 674 HETATM 897 O HOH 1 -22.641 -11.937 -19.302 1.00 71.38 O HETATM 898 O HOH 2 -10.138 -15.798 -4.679 1.00 40.04 O HETATM 899 O HOH 3 2.646 -8.129 -2.664 1.00 35.92 O HETATM 900 O HOH 4 7.608 -17.453 -22.553 1.00 38.69 O HETATM 901 O HOH 5 -10.172 -4.202 -14.645 1.00 34.57 O HETATM 902 O HOH 6 1.016 -24.120 -10.501 1.00 40.58 O HETATM 903 O HOH 7 -10.610 -8.651 -7.203 1.00 39.75 O HETATM 904 O HOH 8 -0.188 -27.861 -17.408 1.00 68.13 O HETATM 905 O HOH 9 19.286 -8.291 -17.159 1.00 49.83 O HETATM 906 O HOH 10 6.863 -7.812 -10.386 1.00 32.34 O HETATM 907 O HOH 11 0.920 -24.926 -13.438 1.00 37.25 O HETATM 908 O HOH 12 -19.081 -2.240 -22.030 1.00 42.69 O HETATM 909 O HOH 13 3.754 -12.389 -27.405 1.00 31.57 O HETATM 910 O HOH 14 4.062 -9.388 -7.311 1.00 22.97 O HETATM 911 O HOH 15 -13.081 -19.379 -12.392 1.00 29.90 O HETATM 912 O HOH 16 -22.137 -4.171 -20.958 1.00 36.49 O HETATM 913 O HOH 17 4.888 -15.844 -26.093 1.00 25.16 O HETATM 914 O HOH 18 -0.514 -1.990 -15.556 1.00 25.23 O HETATM 915 O HOH 19 -16.398 -18.630 -19.278 1.00 36.39 O HETATM 916 O HOH 20 2.289 -1.925 -9.807 1.00 38.42 O HETATM 917 O HOH 21 -1.752 -25.172 -18.376 1.00 30.60 O HETATM 918 O HOH 22 14.543 -17.693 -8.631 1.00 31.51 O HETATM 919 O HOH 23 9.708 -19.318 -16.795 1.00 20.64 O HETATM 920 O HOH 24 1.156 -26.265 -21.199 1.00 36.65 O HETATM 921 O HOH 25 14.920 -8.287 -4.236 1.00 43.82 O HETATM 922 O HOH 26 16.522 -16.992 -10.445 1.00 31.55 O HETATM 923 O HOH 27 3.802 -12.004 -3.037 1.00 30.28 O HETATM 924 O HOH 28 -17.410 -10.022 -15.375 1.00 48.39 O HETATM 925 O HOH 29 -1.603 -8.308 -2.175 1.00 37.29 O HETATM 926 O HOH 30 6.605 -23.356 -22.369 1.00 33.21 O HETATM 927 O HOH 31 -16.188 -3.063 -17.131 1.00 53.73 O HETATM 928 O HOH 32 -12.407 -11.098 -10.126 1.00 28.90 O HETATM 929 O HOH 33 13.042 -16.148 -15.615 1.00 23.03 O HETATM 930 O HOH 34 6.978 -4.266 -3.444 1.00 47.83 O HETATM 931 O HOH 35 2.812 -25.555 -6.408 1.00 32.51 O HETATM 932 O HOH 36 -11.114 -24.781 -15.118 1.00 45.23 O HETATM 933 O HOH 37 11.220 -20.480 -9.399 1.00 21.66 O HETATM 934 O HOH 38 2.543 -23.324 -3.434 1.00 37.46 O HETATM 935 O HOH 39 -21.408 -4.841 -25.162 1.00 50.16 O HETATM 936 O HOH 40 12.930 -16.199 -18.400 1.00 29.38 O HETATM 937 O HOH 41 -3.718 -2.854 -10.436 1.00 36.92 O HETATM 938 O HOH 42 4.780 -0.260 -17.798 1.00 37.57 O HETATM 939 O HOH 43 -2.303 -15.301 -4.866 1.00 32.25 O HETATM 940 O HOH 44 -13.554 -1.878 -17.504 1.00 40.03 O HETATM 941 O HOH 45 -19.001 -15.151 -20.495 1.00 60.10 O HETATM 942 O HOH 46 18.938 -11.554 -16.740 1.00 41.41 O HETATM 943 O HOH 47 -7.557 -13.526 -14.815 1.00 20.67 O HETATM 944 O HOH 48 7.985 -4.554 -10.705 1.00 38.85 O HETATM 945 O HOH 49 14.227 -7.108 -14.565 1.00 27.43 O HETATM 946 O HOH 50 -9.741 -10.724 -3.803 1.00 32.05 O HETATM 947 O HOH 51 -0.241 -17.983 -28.337 1.00 28.62 O HETATM 948 O HOH 52 -0.527 -20.297 -25.874 1.00 35.32 O HETATM 949 O HOH 53 18.250 -9.381 -6.899 1.00 39.17 O HETATM 950 O HOH 54 12.010 -5.619 -9.382 1.00 47.23 O HETATM 951 O HOH 55 15.520 -16.619 -15.243 1.00 35.72 O HETATM 952 O HOH 56 3.875 -28.026 -13.694 1.00 39.46 O HETATM 953 O HOH 57 11.410 -6.500 -12.139 1.00 39.82 O HETATM 954 O HOH 58 11.936 -26.440 -10.087 1.00 33.50 O HETATM 955 O HOH 59 -3.000 -19.874 -27.130 1.00 22.96 O HETATM 956 O HOH 60 9.014 -27.211 -12.991 1.00 32.85 O HETATM 957 O HOH 61 21.080 -10.993 -7.595 1.00 51.73 O HETATM 958 O HOH 62 2.991 -24.642 -9.129 1.00 37.32 O HETATM 959 O HOH 63 -3.232 -17.524 -3.773 1.00 37.44 O HETATM 960 O HOH 64 -7.183 -14.737 -1.106 1.00 59.02 O HETATM 961 O HOH 65 -7.226 -3.296 -16.511 1.00 28.14 O HETATM 962 O HOH 66 13.900 -4.839 -11.023 1.00 66.23 O HETATM 963 O HOH 67 -5.317 -26.967 -12.221 1.00 38.69 O HETATM 964 O HOH 68 4.755 -24.461 -20.651 1.00 28.57 O HETATM 965 O HOH 69 -8.118 -1.260 -21.901 1.00 35.17 O HETATM 966 O HOH 70 2.725 -15.463 -29.406 1.00 38.22 O HETATM 967 O HOH 71 2.081 -1.430 -14.385 1.00 29.05 O HETATM 968 O HOH 72 11.149 -7.033 -4.470 1.00 32.95 O HETATM 969 O HOH 73 0.261 -27.481 -14.977 1.00 42.39 O HETATM 970 O HOH 74 3.399 -3.399 -20.442 1.00 23.10 O HETATM 971 O HOH 75 -1.893 -20.380 -23.745 1.00 41.88 O HETATM 972 O HOH 76 15.494 -8.863 -1.858 1.00 47.12 O HETATM 973 O HOH 77 15.220 -12.600 -17.832 1.00 26.49 O HETATM 974 O HOH 78 11.111 -21.337 -23.678 1.00 32.55 O HETATM 975 O HOH 79 4.925 -9.869 -3.151 1.00 35.44 O HETATM 976 O HOH 80 -0.400 -25.849 -5.021 1.00 35.60 O HETATM 977 O HOH 81 7.438 -5.978 -15.505 1.00 22.14 O HETATM 978 O HOH 82 9.325 -7.774 -2.453 1.00 51.83 O HETATM 979 O HOH 83 -1.401 -25.562 -22.895 1.00 54.70 O HETATM 980 O HOH 84 -17.440 -25.201 -19.037 1.00 43.88 O HETATM 981 O HOH 85 6.213 -21.293 -23.887 1.00 40.13 O HETATM 982 O HOH 86 0.705 -2.185 -17.987 1.00 31.99 O HETATM 983 O HOH 87 -2.792 -2.393 -25.433 1.00 70.84 O HETATM 984 O HOH 88 3.270 0.758 -16.058 1.00 47.29 O HETATM 985 O HOH 89 -14.721 -13.045 -9.296 1.00 60.44 O HETATM 986 O HOH 90 -23.033 -6.886 -17.953 1.00 52.87 O HETATM 987 O HOH 91 -14.641 -21.832 -13.239 1.00 40.71 O HETATM 988 O HOH 92 15.810 -21.781 -8.565 1.00 42.20 O HETATM 989 O HOH 93 -2.204 0.954 -23.129 1.00 61.96 O HETATM 990 O HOH 94 12.931 -13.537 -18.966 1.00 28.28 O HETATM 991 O HOH 95 -17.300 -21.796 -12.567 1.00 70.75 O HETATM 992 O HOH 96 6.961 -8.528 -1.674 1.00 49.19 O HETATM 993 O HOH 97 17.821 -2.178 -9.148 1.00 56.65 O HETATM 994 O HOH 98 2.710 -27.367 -10.223 1.00 61.69 O HETATM 995 O HOH 99 14.981 -18.369 -19.246 1.00 70.22 O HETATM 996 O HOH 100 -12.679 -8.591 -8.955 1.00 45.45 O HETATM 997 O HOH 101 -23.851 -9.478 -17.807 1.00 45.93 O HETATM 998 O HOH 102 13.382 -18.513 -23.593 1.00 54.51 O HETATM 999 O HOH 103 1.735 -28.388 -19.468 1.00 39.41 O HETATM 1000 O HOH 104 -12.113 -2.260 -15.479 1.00 45.40 O HETATM 1001 O HOH 105 -3.686 -0.607 -12.040 1.00 54.39 O HETATM 1002 O HOH 106 3.714 -26.633 -21.830 1.00 55.62 O HETATM 1003 O HOH 107 -1.231 0.641 -15.447 1.00 45.31 O HETATM 1004 O HOH 108 2.974 -0.751 -11.995 1.00 35.53 O HETATM 1005 O HOH 109 -14.762 -17.896 -10.505 1.00 37.97 O HETATM 1006 O HOH 110 -0.146 -0.588 -21.704 1.00 32.63 O HETATM 1007 O HOH 111 -12.093 -23.817 -12.781 1.00 35.84 O HETATM 1008 O HOH 112 -4.124 -3.081 -22.362 1.00 33.03 O HETATM 1009 O HOH 113 8.013 -25.306 -23.883 1.00 38.15 O HETATM 1010 O HOH 114 -11.482 -21.642 -11.120 1.00 45.60 O HETATM 1011 O HOH 115 -6.861 -15.251 -27.673 1.00 19.96 O HETATM 1012 O HOH 116 0.851 -4.099 -20.012 1.00 27.16 O HETATM 1013 O HOH 117 6.889 -5.951 -18.253 1.00 20.32 O HETATM 1014 O HOH 118 -5.414 -12.010 -28.922 1.00 24.96 O HETATM 1015 O HOH 119 8.954 -8.417 -14.470 1.00 31.11 O HETATM 1016 O HOH 120 10.351 -12.622 -19.509 1.00 22.89 O HETATM 1017 O HOH 121 7.494 -11.404 -25.613 1.00 23.70 O HETATM 1018 O HOH 122 -6.929 -7.829 -29.403 1.00 33.49 O HETATM 1019 O HOH 123 3.622 -8.353 -25.937 1.00 33.97 O HETATM 1020 O HOH 124 -0.158 -5.809 -25.670 1.00 28.52 O HETATM 1021 O HOH 125 3.014 -10.919 -29.541 1.00 57.51 O HETATM 1022 O HOH 126 2.734 -8.062 -28.194 1.00 32.79 O HETATM 1023 O HOH 127 0.644 -5.972 -28.156 1.00 34.97 O HETATM 1024 O HOH 128 4.669 -10.630 -25.422 1.00 33.74 O HETATM 1025 O HOH 129 -1.187 -3.012 -21.831 1.00 31.45 O HETATM 1026 C ACE A 130 -8.845 -7.792 -26.270 1.00 0.18 C HETATM 1027 O ACE A 130 -9.276 -7.824 -25.118 1.00 -0.40 O HETATM 1028 CH3 ACE A 130 -9.682 -7.301 -27.416 1.00 0.03 C HETATM 1029 H1 ACE A 130 -9.099 -7.360 -28.347 1.00 0.05 H HETATM 1030 H2 ACE A 130 -9.977 -6.257 -27.234 1.00 0.05 H HETATM 1031 H3 ACE A 130 -10.582 -7.926 -27.507 1.00 0.05 H HETATM 1032 N ACE A 130 -7.619 -8.191 -26.604 1.00 -0.27 N HETATM 1033 CA ACE A 130 -6.666 -8.692 -25.619 1.00 0.13 C HETATM 1034 C ACE A 130 -5.385 -7.884 -25.671 1.00 0.20 C HETATM 1035 O ACE A 130 -5.074 -7.254 -26.685 1.00 -0.39 O HETATM 1036 N ACE A 130 -4.651 -7.907 -24.566 1.00 -0.26 N HETATM 1037 CA ACE A 130 -3.299 -7.387 -24.504 1.00 0.13 C HETATM 1038 C ACE A 130 -2.363 -8.513 -24.094 1.00 0.20 C HETATM 1039 O ACE A 130 -2.790 -9.522 -23.527 1.00 -0.39 O HETATM 1040 N ACE A 130 -1.078 -8.327 -24.397 1.00 -0.26 N HETATM 1041 CA ACE A 130 -0.024 -9.288 -24.090 1.00 0.13 C HETATM 1042 C ACE A 130 1.123 -8.550 -23.411 1.00 0.20 C HETATM 1043 O ACE A 130 1.602 -7.536 -23.931 1.00 -0.39 O HETATM 1044 N ACE A 130 1.575 -9.062 -22.269 1.00 -0.26 N HETATM 1045 CA ACE A 130 2.654 -8.437 -21.508 1.00 0.16 C HETATM 1046 C ACE A 130 3.650 -9.501 -21.065 1.00 0.21 C HETATM 1047 O ACE A 130 3.256 -10.520 -20.491 1.00 -0.39 O HETATM 1048 N ACE A 130 4.935 -9.263 -21.330 1.00 -0.26 N HETATM 1049 CA ACE A 130 5.998 -10.142 -20.856 1.00 0.13 C HETATM 1050 C ACE A 130 6.444 -9.683 -19.475 1.00 0.20 C HETATM 1051 O ACE A 130 6.654 -8.485 -19.248 1.00 -0.39 O HETATM 1052 N ACE A 130 6.586 -10.636 -18.558 1.00 -0.27 N HETATM 1053 CA ACE A 130 6.930 -10.333 -17.174 1.00 0.09 C HETATM 1054 C ACE A 130 8.126 -11.162 -16.707 1.00 0.06 C HETATM 1055 O ACE A 130 8.700 -10.870 -15.656 1.00 -0.57 O HETATM 1056 OXT ACE A 130 8.545 -12.127 -17.359 1.00 -0.57 O HETATM 1057 CB ACE A 130 5.719 -10.578 -16.268 1.00 -0.02 C HETATM 1058 CG ACE A 130 4.548 -9.631 -16.568 1.00 -0.04 C HETATM 1059 CD1 ACE A 130 3.199 -10.268 -16.283 1.00 -0.06 C HETATM 1060 H48 ACE A 130 2.398 -9.550 -16.514 1.00 0.02 H HETATM 1061 H49 ACE A 130 3.144 -10.550 -15.221 1.00 0.02 H HETATM 1062 H50 ACE A 130 3.078 -11.165 -16.907 1.00 0.02 H HETATM 1063 CD2 ACE A 130 4.717 -8.327 -15.804 1.00 -0.06 C HETATM 1064 H51 ACE A 130 5.702 -7.893 -16.032 1.00 0.02 H HETATM 1065 H52 ACE A 130 4.644 -8.523 -14.724 1.00 0.02 H HETATM 1066 H53 ACE A 130 3.928 -7.622 -16.103 1.00 0.02 H HETATM 1067 H47 ACE A 130 4.579 -9.396 -17.642 1.00 0.03 H HETATM 1068 H45 ACE A 130 6.028 -10.434 -15.222 1.00 0.03 H HETATM 1069 H46 ACE A 130 5.378 -11.614 -16.410 1.00 0.03 H HETATM 1070 H44 ACE A 130 7.203 -9.269 -17.110 1.00 0.07 H HETATM 1071 H43 ACE A 130 6.453 -11.590 -18.826 1.00 0.19 H HETATM 1072 CB ACE A 130 7.186 -10.151 -21.820 1.00 -0.01 C HETATM 1073 CG ACE A 130 8.313 -11.041 -21.347 1.00 -0.02 C HETATM 1074 CD ACE A 130 9.296 -11.337 -22.447 1.00 0.06 C HETATM 1075 NE ACE A 130 8.861 -12.451 -23.288 1.00 -0.27 N HETATM 1076 CZ ACE A 130 9.022 -13.734 -22.968 1.00 0.29 C HETATM 1077 NH1 ACE A 130 9.596 -14.077 -21.824 1.00 -0.28 N HETATM 1078 H39 ACE A 130 9.716 -15.072 -21.586 1.00 0.26 H HETATM 1079 H40 ACE A 130 9.922 -13.349 -21.173 1.00 0.26 H HETATM 1080 NH2 ACE A 130 8.602 -14.681 -23.790 1.00 -0.28 N HETATM 1081 H41 ACE A 130 8.154 -14.427 -24.682 1.00 0.26 H HETATM 1082 H42 ACE A 130 8.723 -15.672 -23.538 1.00 0.26 H HETATM 1083 H38 ACE A 130 8.402 -12.230 -24.183 1.00 0.26 H HETATM 1084 H36 ACE A 130 10.267 -11.591 -21.996 1.00 0.07 H HETATM 1085 H37 ACE A 130 9.406 -10.441 -23.075 1.00 0.07 H HETATM 1086 H34 ACE A 130 7.889 -11.989 -20.985 1.00 0.03 H HETATM 1087 H35 ACE A 130 8.842 -10.538 -20.524 1.00 0.03 H HETATM 1088 H32 ACE A 130 7.567 -9.124 -21.919 1.00 0.03 H HETATM 1089 H33 ACE A 130 6.841 -10.511 -22.801 1.00 0.03 H HETATM 1090 H31 ACE A 130 5.602 -11.166 -20.781 1.00 0.08 H HETATM 1091 H30 ACE A 130 5.177 -8.457 -21.870 1.00 0.19 H HETATM 1092 CB ACE A 130 2.108 -7.685 -20.280 1.00 0.09 C HETATM 1093 OG1 ACE A 130 1.133 -6.712 -20.688 1.00 -0.39 O HETATM 1094 H26 ACE A 130 0.415 -7.151 -21.130 1.00 0.21 H HETATM 1095 CG2 ACE A 130 3.228 -6.981 -19.534 1.00 -0.03 C HETATM 1096 H27 ACE A 130 2.813 -6.452 -18.663 1.00 0.03 H HETATM 1097 H28 ACE A 130 3.716 -6.258 -20.203 1.00 0.03 H HETATM 1098 H29 ACE A 130 3.966 -7.723 -19.195 1.00 0.03 H HETATM 1099 H25 ACE A 130 1.631 -8.411 -19.605 1.00 0.06 H HETATM 1100 H24 ACE A 130 3.170 -7.716 -22.159 1.00 0.08 H HETATM 1101 H23 ACE A 130 1.162 -9.903 -21.920 1.00 0.19 H HETATM 1102 CB ACE A 130 0.477 -9.976 -25.364 1.00 0.00 C HETATM 1103 CG ACE A 130 -0.584 -10.774 -26.108 1.00 0.04 C HETATM 1104 CD ACE A 130 -0.271 -10.920 -27.583 1.00 0.17 C HETATM 1105 OE1 ACE A 130 -0.431 -9.975 -28.354 1.00 -0.40 O HETATM 1106 NE2 ACE A 130 0.182 -12.105 -27.984 1.00 -0.30 N HETATM 1107 H21 ACE A 130 0.404 -12.255 -28.947 1.00 0.18 H HETATM 1108 H22 ACE A 130 0.300 -12.845 -27.322 1.00 0.18 H HETATM 1109 H19 ACE A 130 -1.551 -10.261 -26.002 1.00 0.05 H HETATM 1110 H20 ACE A 130 -0.650 -11.777 -25.660 1.00 0.05 H HETATM 1111 H17 ACE A 130 1.291 -10.662 -25.087 1.00 0.03 H HETATM 1112 H18 ACE A 130 0.864 -9.202 -26.043 1.00 0.03 H HETATM 1113 H16 ACE A 130 -0.421 -10.052 -23.406 1.00 0.08 H HETATM 1114 H15 ACE A 130 -0.822 -7.479 -24.862 1.00 0.19 H HETATM 1115 CB ACE A 130 -3.191 -6.218 -23.520 1.00 -0.02 C HETATM 1116 H12 ACE A 130 -2.154 -5.851 -23.500 1.00 0.03 H HETATM 1117 H13 ACE A 130 -3.479 -6.557 -22.514 1.00 0.03 H HETATM 1118 H14 ACE A 130 -3.861 -5.407 -23.840 1.00 0.03 H HETATM 1119 H11 ACE A 130 -3.011 -7.028 -25.503 1.00 0.08 H HETATM 1120 H10 ACE A 130 -5.049 -8.301 -23.738 1.00 0.19 H HETATM 1121 CB ACE A 130 -6.336 -10.160 -25.863 1.00 -0.00 C HETATM 1122 CG ACE A 130 -7.436 -11.134 -25.499 1.00 0.00 C HETATM 1123 CD ACE A 130 -6.943 -12.567 -25.521 1.00 0.04 C HETATM 1124 OE1 ACE A 130 -6.260 -12.945 -26.497 1.00 -0.57 O HETATM 1125 OE2 ACE A 130 -7.208 -13.310 -24.554 1.00 -0.57 O HETATM 1126 H8 ACE A 130 -8.259 -11.029 -26.221 1.00 0.04 H HETATM 1127 H9 ACE A 130 -7.802 -10.898 -24.489 1.00 0.04 H HETATM 1128 H6 ACE A 130 -5.446 -10.413 -25.268 1.00 0.03 H HETATM 1129 H7 ACE A 130 -6.110 -10.285 -26.932 1.00 0.03 H HETATM 1130 H5 ACE A 130 -7.112 -8.591 -24.619 1.00 0.08 H HETATM 1131 H4 ACE A 130 -7.342 -8.146 -27.564 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1026 1027 1028 1032 CONECT 1027 1026 CONECT 1028 1026 1029 1030 1031 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1028 CONECT 1032 1026 1033 1131 CONECT 1033 1032 1034 1121 1130 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1120 CONECT 1037 1036 1038 1115 1119 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1114 CONECT 1041 1040 1042 1102 1113 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1101 CONECT 1045 1044 1046 1092 1100 CONECT 1046 1045 1047 1048 CONECT 1047 1046 CONECT 1048 1046 1049 1091 CONECT 1049 1048 1050 1072 1090 CONECT 1050 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 1053 1071 CONECT 1053 1052 1054 1057 1070 CONECT 1054 1053 1055 1056 CONECT 1055 1054 CONECT 1056 1054 CONECT 1057 1053 1058 1068 1069 CONECT 1058 1057 1059 1063 1067 CONECT 1059 1058 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1058 1064 1065 1066 CONECT 1064 1063 CONECT 1065 1063 CONECT 1066 1063 CONECT 1067 1058 CONECT 1068 1057 CONECT 1069 1057 CONECT 1070 1053 CONECT 1071 1052 CONECT 1072 1049 1073 1088 1089 CONECT 1073 1072 1074 1086 1087 CONECT 1074 1073 1075 1084 1085 CONECT 1075 1074 1076 1083 CONECT 1076 1075 1077 1080 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1076 1081 1082 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1075 CONECT 1084 1074 CONECT 1085 1074 CONECT 1086 1073 CONECT 1087 1073 CONECT 1088 1072 CONECT 1089 1072 CONECT 1090 1049 CONECT 1091 1048 CONECT 1092 1045 1093 1095 1099 CONECT 1093 1092 1094 CONECT 1094 1093 CONECT 1095 1092 1096 1097 1098 CONECT 1096 1095 CONECT 1097 1095 CONECT 1098 1095 CONECT 1099 1092 CONECT 1100 1045 CONECT 1101 1044 CONECT 1102 1041 1103 1111 1112 CONECT 1103 1102 1104 1109 1110 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1108 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1103 CONECT 1110 1103 CONECT 1111 1102 CONECT 1112 1102 CONECT 1113 1041 CONECT 1114 1040 CONECT 1115 1037 1116 1117 1118 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1115 CONECT 1119 1037 CONECT 1120 1036 CONECT 1121 1033 1122 1128 1129 CONECT 1122 1121 1123 1126 1127 CONECT 1123 1122 1124 1125 CONECT 1124 1123 CONECT 1125 1123 CONECT 1126 1122 CONECT 1127 1122 CONECT 1128 1121 CONECT 1129 1121 CONECT 1130 1033 CONECT 1131 1032 MASTER 0 0 0 0 0 0 0 0 1130 1 110 8 END
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4ezx
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Entry Information
PDB ID
5ovc
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
SH3 and multiple ankyrin repeat domains protein 3
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=1.1uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Neurochem. Vol. 145: pp. 449-463
Ligand Properties
Formula
C
3
1
H
5
5
N
1
0
O
1
2
Molecular Weight
759.828
Exact Mass
759.400
No. of atoms
108
No. of bonds
107
Polar Surface Area
378.53
LOGP Value
0.53 (
Computed with XLOGP3
)
-1.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 0
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC(=O)O)C)CCC(=O)N)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C31H54N10O12/c1-14(2)13-21(30(52)53)40-27(49)18(7-6-12-35-31(33)34)39-29(51)24(16(4)42)41-28(50)20(8-10-22(32)44)38-25(47)15(3)36-26(48)19(37-17(5)43)9-11-23(45)46/h14-16,18-21,24,42H,6-13H2,1-5H3,(H2,32,44)(H,36,48)(H,37,43)(H,38,47)(H,39,51)(H,40,49)(H,41,50)(H,45,46)(H,52,53)(H4,33,34,35)/p+1/t15-,16+,18-,19-,20-,21-,24-/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):
P97836
Q9JLU4
Entrez Gene ID
NCBI Entrez Gene ID:
65040
59312
ASD
Information of known allosteric effects of PDB entries
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