Browse entries in the PDBbind-CN Database
HEADER 5N49_COMPLEX COMPND 5N49_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 114 ALA MET GLU LEU ARG LEU THR GLU LEU THR ARG LEU LEU SEQRES 2 B 114 ARG SER VAL LEU ASP GLN LEU GLN ASP LYS ASP PRO ALA SEQRES 3 B 114 ARG ILE PHE ALA GLN PRO VAL SER LEU LYS GLU VAL PRO SEQRES 4 B 114 ASP TYR LEU ASP HIS ILE LYS HIS PRO MET ASP PHE ALA SEQRES 5 B 114 THR MET ARG LYS ARG LEU GLU ALA GLN GLY TYR LYS ASN SEQRES 6 B 114 LEU HIS GLU PHE GLU GLU ASP PHE ASP LEU ILE ILE ASP SEQRES 7 B 114 ASN CYS MET LYS TYR ASN ALA ARG ASP THR VAL PHE TYR SEQRES 8 B 114 ARG ALA ALA VAL ARG LEU ARG ASP GLN GLY GLY VAL VAL SEQRES 9 B 114 LEU ARG GLN ALA ARG ARG GLU VAL ASP SER HET UNN A 242 45 ATOM 1 N ALA B 559 -2.737 -28.796 0.662 1.00 36.31 N ATOM 2 CA ALA B 559 -1.454 -28.378 1.415 1.00 36.88 C ATOM 3 C ALA B 559 -1.608 -27.100 2.289 1.00 40.23 C ATOM 4 O ALA B 559 -1.046 -26.975 3.406 1.00 35.91 O ATOM 5 CB ALA B 559 -0.354 -28.124 0.407 1.00 34.93 C ATOM 6 HN3 ALA B 559 -3.031 -28.027 0.026 1.00 0.00 H ATOM 7 HN2 ALA B 559 -3.494 -28.987 1.349 1.00 0.00 H ATOM 8 HN1 ALA B 559 -2.547 -29.654 0.106 1.00 0.00 H ATOM 9 N MET B 560 -2.290 -26.114 1.701 1.00 45.94 N ATOM 10 CA MET B 560 -2.657 -24.883 2.408 1.00 44.87 C ATOM 11 C MET B 560 -3.410 -25.255 3.670 1.00 42.58 C ATOM 12 O MET B 560 -3.125 -24.701 4.739 1.00 38.14 O ATOM 13 CB MET B 560 -3.508 -23.939 1.520 1.00 43.53 C ATOM 14 H MET B 560 -2.571 -26.223 0.706 1.00 0.00 H ATOM 15 N GLU B 561 -4.330 -26.209 3.574 1.00 44.54 N ATOM 16 CA GLU B 561 -5.143 -26.598 4.752 1.00 50.45 C ATOM 17 C GLU B 561 -4.320 -27.306 5.820 1.00 53.59 C ATOM 18 O GLU B 561 -4.590 -27.136 7.014 1.00 50.25 O ATOM 19 CB GLU B 561 -6.414 -27.393 4.358 1.00 55.92 C ATOM 20 H GLU B 561 -4.482 -26.688 2.663 1.00 0.00 H ATOM 21 N LEU B 562 -3.290 -28.060 5.423 1.00 49.72 N ATOM 22 CA LEU B 562 -2.341 -28.605 6.409 1.00 49.79 C ATOM 23 C LEU B 562 -1.680 -27.492 7.237 1.00 49.11 C ATOM 24 O LEU B 562 -1.651 -27.579 8.452 1.00 44.79 O ATOM 25 CB LEU B 562 -1.227 -29.455 5.756 1.00 53.63 C ATOM 26 CG LEU B 562 -0.934 -30.875 6.272 1.00 49.83 C ATOM 27 CD1 LEU B 562 0.463 -31.303 5.822 1.00 51.22 C ATOM 28 CD2 LEU B 562 -1.120 -31.110 7.765 1.00 52.25 C ATOM 29 H LEU B 562 -3.158 -28.263 4.412 1.00 0.00 H ATOM 30 N ARG B 563 -1.133 -26.472 6.569 1.00 50.48 N ATOM 31 CA ARG B 563 -0.554 -25.302 7.259 1.00 54.20 C ATOM 32 C ARG B 563 -1.630 -24.622 8.146 1.00 52.39 C ATOM 33 O ARG B 563 -1.470 -24.447 9.356 1.00 60.14 O ATOM 34 CB ARG B 563 0.061 -24.315 6.236 1.00 53.06 C ATOM 35 H ARG B 563 -1.115 -26.503 5.530 1.00 0.00 H ATOM 36 N LEU B 564 -2.737 -24.277 7.513 1.00 51.24 N ATOM 37 CA LEU B 564 -3.936 -23.722 8.146 1.00 56.66 C ATOM 38 C LEU B 564 -4.560 -24.536 9.341 1.00 66.57 C ATOM 39 O LEU B 564 -5.160 -23.927 10.246 1.00 80.79 O ATOM 40 CB LEU B 564 -4.963 -23.487 7.019 1.00 55.93 C ATOM 41 CG LEU B 564 -6.419 -23.151 7.278 1.00 62.03 C ATOM 42 CD1 LEU B 564 -6.492 -21.784 7.925 1.00 61.00 C ATOM 43 CD2 LEU B 564 -7.251 -23.241 5.997 1.00 60.11 C ATOM 44 H LEU B 564 -2.759 -24.410 6.482 1.00 0.00 H ATOM 45 N THR B 565 -4.447 -25.874 9.337 1.00 56.25 N ATOM 46 CA THR B 565 -4.773 -26.731 10.501 1.00 53.21 C ATOM 47 C THR B 565 -3.964 -26.353 11.752 1.00 56.31 C ATOM 48 O THR B 565 -4.521 -26.341 12.867 1.00 58.35 O ATOM 49 CB THR B 565 -4.610 -28.267 10.175 1.00 57.44 C ATOM 50 OG1 THR B 565 -5.823 -28.776 9.602 1.00 53.05 O ATOM 51 CG2 THR B 565 -4.284 -29.153 11.422 1.00 63.62 C ATOM 52 HG1 THR B 565 -6.024 -28.284 8.767 1.00 0.00 H ATOM 53 H THR B 565 -4.112 -26.335 8.467 1.00 0.00 H ATOM 54 N GLU B 566 -2.668 -26.052 11.593 1.00 51.52 N ATOM 55 CA GLU B 566 -1.833 -25.615 12.735 1.00 52.91 C ATOM 56 C GLU B 566 -2.311 -24.253 13.288 1.00 55.29 C ATOM 57 O GLU B 566 -2.269 -24.036 14.513 1.00 51.87 O ATOM 58 CB GLU B 566 -0.348 -25.466 12.373 1.00 58.83 C ATOM 59 CG GLU B 566 0.367 -26.701 11.805 1.00 69.94 C ATOM 60 CD GLU B 566 1.618 -26.340 10.979 1.00 75.45 C ATOM 61 OE1 GLU B 566 2.584 -25.774 11.560 1.00 74.13 O ATOM 62 OE2 GLU B 566 1.639 -26.618 9.751 1.00 82.69 O ATOM 63 H GLU B 566 -2.240 -26.127 10.648 1.00 0.00 H ATOM 64 N LEU B 567 -2.704 -23.346 12.377 1.00 44.23 N ATOM 65 CA LEU B 567 -3.154 -22.000 12.746 1.00 48.06 C ATOM 66 C LEU B 567 -4.418 -22.050 13.596 1.00 42.89 C ATOM 67 O LEU B 567 -4.483 -21.408 14.679 1.00 39.29 O ATOM 68 CB LEU B 567 -3.422 -21.109 11.510 1.00 46.73 C ATOM 69 CG LEU B 567 -3.897 -19.662 11.784 1.00 45.66 C ATOM 70 CD1 LEU B 567 -2.911 -18.914 12.669 1.00 46.40 C ATOM 71 CD2 LEU B 567 -4.154 -18.861 10.500 1.00 47.25 C ATOM 72 H LEU B 567 -2.688 -23.609 11.371 1.00 0.00 H ATOM 73 N THR B 568 -5.404 -22.786 13.083 1.00 44.60 N ATOM 74 CA THR B 568 -6.618 -23.083 13.783 1.00 42.07 C ATOM 75 C THR B 568 -6.295 -23.504 15.210 1.00 48.38 C ATOM 76 O THR B 568 -6.733 -22.837 16.156 1.00 41.45 O ATOM 77 CB THR B 568 -7.428 -24.108 12.999 1.00 45.21 C ATOM 78 OG1 THR B 568 -7.674 -23.573 11.689 1.00 46.43 O ATOM 79 CG2 THR B 568 -8.769 -24.394 13.641 1.00 45.80 C ATOM 80 HG1 THR B 568 -6.810 -23.401 11.237 1.00 0.00 H ATOM 81 H THR B 568 -5.285 -23.165 12.122 1.00 0.00 H ATOM 82 N ARG B 569 -5.460 -24.525 15.382 1.00 43.27 N ATOM 83 CA ARG B 569 -5.152 -25.020 16.729 1.00 53.23 C ATOM 84 C ARG B 569 -4.707 -23.890 17.655 1.00 48.81 C ATOM 85 O ARG B 569 -5.185 -23.775 18.787 1.00 45.55 O ATOM 86 CB ARG B 569 -4.047 -26.095 16.678 1.00 65.87 C ATOM 87 CG ARG B 569 -3.994 -27.054 17.882 1.00 77.73 C ATOM 88 CD ARG B 569 -4.300 -28.534 17.565 1.00 83.49 C ATOM 89 NE ARG B 569 -3.882 -28.949 16.213 1.00 91.58 N ATOM 90 CZ ARG B 569 -2.623 -29.063 15.767 1.00 92.62 C ATOM 91 NH1 ARG B 569 -1.576 -28.821 16.558 1.00 87.14 N ATOM 92 NH2 ARG B 569 -2.412 -29.424 14.498 1.00 95.61 N ATOM 93 HE ARG B 569 -4.640 -29.176 15.538 1.00 0.00 H ATOM 94 HH12 ARG B 569 -0.610 -28.917 16.186 1.00 0.00 H ATOM 95 HH11 ARG B 569 -1.726 -28.536 17.547 1.00 0.00 H ATOM 96 HH22 ARG B 569 -1.441 -29.516 14.138 1.00 0.00 H ATOM 97 HH21 ARG B 569 -3.219 -29.613 13.870 1.00 0.00 H ATOM 98 H ARG B 569 -5.021 -24.977 14.554 1.00 0.00 H ATOM 99 N LEU B 570 -3.791 -23.048 17.175 1.00 43.38 N ATOM 100 CA LEU B 570 -3.278 -21.961 17.997 1.00 43.34 C ATOM 101 C LEU B 570 -4.384 -20.932 18.305 1.00 42.12 C ATOM 102 O LEU B 570 -4.490 -20.464 19.429 1.00 39.72 O ATOM 103 CB LEU B 570 -2.127 -21.274 17.298 1.00 47.80 C ATOM 104 CG LEU B 570 -1.411 -20.109 17.982 1.00 55.00 C ATOM 105 CD1 LEU B 570 -1.349 -20.172 19.520 1.00 60.56 C ATOM 106 CD2 LEU B 570 0.001 -20.035 17.406 1.00 55.26 C ATOM 107 H LEU B 570 -3.439 -23.169 16.204 1.00 0.00 H ATOM 108 N LEU B 571 -5.166 -20.587 17.289 1.00 36.84 N ATOM 109 CA LEU B 571 -6.291 -19.640 17.428 1.00 39.45 C ATOM 110 C LEU B 571 -7.360 -20.162 18.378 1.00 40.19 C ATOM 111 O LEU B 571 -7.814 -19.406 19.231 1.00 36.87 O ATOM 112 CB LEU B 571 -6.883 -19.230 16.052 1.00 35.46 C ATOM 113 CG LEU B 571 -5.984 -18.288 15.202 1.00 32.49 C ATOM 114 CD1 LEU B 571 -6.652 -17.988 13.875 1.00 31.38 C ATOM 115 CD2 LEU B 571 -5.478 -17.000 15.839 1.00 34.25 C ATOM 116 H LEU B 571 -4.978 -21.002 16.354 1.00 0.00 H ATOM 117 N ARG B 572 -7.733 -21.439 18.274 1.00 36.55 N ATOM 118 CA ARG B 572 -8.579 -22.094 19.303 1.00 37.87 C ATOM 119 C ARG B 572 -8.095 -21.816 20.749 1.00 38.66 C ATOM 120 O ARG B 572 -8.881 -21.457 21.637 1.00 34.30 O ATOM 121 CB ARG B 572 -8.673 -23.624 19.052 1.00 41.28 C ATOM 122 CG ARG B 572 -9.912 -24.317 19.618 1.00 48.70 C ATOM 123 CD ARG B 572 -10.062 -25.777 19.161 1.00 52.87 C ATOM 124 NE ARG B 572 -10.402 -25.970 17.736 1.00 50.85 N ATOM 125 CZ ARG B 572 -9.578 -26.427 16.778 1.00 52.62 C ATOM 126 NH1 ARG B 572 -8.296 -26.733 17.028 1.00 52.64 N ATOM 127 NH2 ARG B 572 -10.027 -26.549 15.519 1.00 53.21 N ATOM 128 HE ARG B 572 -11.372 -25.729 17.447 1.00 0.00 H ATOM 129 HH12 ARG B 572 -7.686 -27.084 16.262 1.00 0.00 H ATOM 130 HH11 ARG B 572 -7.912 -26.619 17.988 1.00 0.00 H ATOM 131 HH22 ARG B 572 -9.394 -26.902 14.773 1.00 0.00 H ATOM 132 HH21 ARG B 572 -11.008 -26.290 15.289 1.00 0.00 H ATOM 133 H ARG B 572 -7.422 -21.991 17.449 1.00 0.00 H ATOM 134 N SER B 573 -6.802 -21.989 20.997 1.00 35.77 N ATOM 135 CA SER B 573 -6.293 -21.753 22.322 1.00 37.46 C ATOM 136 C SER B 573 -6.393 -20.252 22.712 1.00 32.57 C ATOM 137 O SER B 573 -6.660 -19.901 23.875 1.00 30.91 O ATOM 138 CB SER B 573 -4.859 -22.240 22.442 1.00 38.05 C ATOM 139 OG SER B 573 -4.263 -21.662 23.580 1.00 40.55 O ATOM 140 HG SER B 573 -4.272 -20.676 23.491 1.00 0.00 H ATOM 141 H SER B 573 -6.160 -22.294 20.237 1.00 0.00 H ATOM 142 N VAL B 574 -6.134 -19.380 21.755 1.00 29.25 N ATOM 143 CA VAL B 574 -6.193 -17.923 21.989 1.00 29.15 C ATOM 144 C VAL B 574 -7.658 -17.513 22.342 1.00 28.58 C ATOM 145 O VAL B 574 -7.886 -16.714 23.276 1.00 29.64 O ATOM 146 CB VAL B 574 -5.713 -17.149 20.760 1.00 30.21 C ATOM 147 CG1 VAL B 574 -6.018 -15.636 20.884 1.00 30.36 C ATOM 148 CG2 VAL B 574 -4.197 -17.367 20.578 1.00 31.21 C ATOM 149 H VAL B 574 -5.881 -19.729 20.809 1.00 0.00 H ATOM 150 N LEU B 575 -8.600 -18.052 21.599 1.00 25.22 N ATOM 151 CA LEU B 575 -9.991 -17.702 21.774 1.00 28.97 C ATOM 152 C LEU B 575 -10.519 -18.215 23.115 1.00 32.25 C ATOM 153 O LEU B 575 -11.270 -17.494 23.802 1.00 26.02 O ATOM 154 CB LEU B 575 -10.801 -18.287 20.665 1.00 28.04 C ATOM 155 CG LEU B 575 -12.280 -17.907 20.639 1.00 31.70 C ATOM 156 CD1 LEU B 575 -12.532 -16.413 20.503 1.00 30.64 C ATOM 157 CD2 LEU B 575 -12.928 -18.669 19.511 1.00 32.55 C ATOM 158 H LEU B 575 -8.338 -18.745 20.869 1.00 0.00 H ATOM 159 N ASP B 576 -10.100 -19.432 23.518 1.00 28.61 N ATOM 160 CA ASP B 576 -10.388 -19.897 24.863 1.00 29.34 C ATOM 161 C ASP B 576 -9.877 -18.941 25.931 1.00 27.83 C ATOM 162 O ASP B 576 -10.629 -18.615 26.844 1.00 30.62 O ATOM 163 CB ASP B 576 -9.790 -21.285 25.122 1.00 33.43 C ATOM 164 CG ASP B 576 -10.487 -22.382 24.361 1.00 32.56 C ATOM 165 OD1 ASP B 576 -11.517 -22.182 23.685 1.00 36.32 O ATOM 166 OD2 ASP B 576 -9.969 -23.487 24.417 1.00 42.62 O ATOM 167 H ASP B 576 -9.568 -20.040 22.863 1.00 0.00 H ATOM 168 N GLN B 577 -8.619 -18.487 25.809 1.00 25.21 N ATOM 169 CA GLN B 577 -8.037 -17.551 26.739 1.00 28.79 C ATOM 170 C GLN B 577 -8.816 -16.225 26.762 1.00 26.83 C ATOM 171 O GLN B 577 -8.998 -15.661 27.812 1.00 27.12 O ATOM 172 CB GLN B 577 -6.550 -17.295 26.476 1.00 28.15 C ATOM 173 CG GLN B 577 -5.695 -18.557 26.727 1.00 31.72 C ATOM 174 CD GLN B 577 -4.273 -18.370 26.287 1.00 35.10 C ATOM 175 OE1 GLN B 577 -3.543 -17.564 26.865 1.00 42.14 O ATOM 176 NE2 GLN B 577 -3.882 -19.052 25.214 1.00 39.35 N ATOM 177 HE22 GLN B 577 -4.533 -19.723 24.758 1.00 0.00 H ATOM 178 HE21 GLN B 577 -2.925 -18.915 24.831 1.00 0.00 H ATOM 179 H GLN B 577 -8.042 -18.824 25.012 1.00 0.00 H ATOM 180 N LEU B 578 -9.230 -15.770 25.589 1.00 22.68 N ATOM 181 CA LEU B 578 -10.011 -14.528 25.471 1.00 23.99 C ATOM 182 C LEU B 578 -11.364 -14.627 26.168 1.00 24.27 C ATOM 183 O LEU B 578 -11.696 -13.737 26.974 1.00 23.46 O ATOM 184 CB LEU B 578 -10.151 -14.125 24.005 1.00 25.82 C ATOM 185 CG LEU B 578 -8.848 -13.651 23.342 1.00 23.97 C ATOM 186 CD1 LEU B 578 -9.130 -13.323 21.875 1.00 24.29 C ATOM 187 CD2 LEU B 578 -8.123 -12.490 23.963 1.00 25.94 C ATOM 188 H LEU B 578 -8.997 -16.305 24.728 1.00 0.00 H ATOM 189 N GLN B 579 -12.133 -15.681 25.900 1.00 23.10 N ATOM 190 CA GLN B 579 -13.367 -15.914 26.624 1.00 26.09 C ATOM 191 C GLN B 579 -13.146 -15.958 28.131 1.00 29.46 C ATOM 192 O GLN B 579 -14.043 -15.507 28.859 1.00 27.83 O ATOM 193 CB GLN B 579 -14.068 -17.201 26.207 1.00 28.07 C ATOM 194 CG GLN B 579 -14.496 -17.154 24.777 1.00 31.66 C ATOM 195 CD GLN B 579 -15.777 -17.912 24.514 1.00 33.30 C ATOM 196 OE1 GLN B 579 -15.782 -18.847 23.700 1.00 38.74 O ATOM 197 NE2 GLN B 579 -16.889 -17.482 25.139 1.00 34.00 N ATOM 198 HE22 GLN B 579 -16.834 -16.693 25.814 1.00 0.00 H ATOM 199 HE21 GLN B 579 -17.803 -17.939 24.946 1.00 0.00 H ATOM 200 H GLN B 579 -11.843 -16.349 25.158 1.00 0.00 H ATOM 201 N ASP B 580 -12.009 -16.469 28.634 1.00 28.72 N ATOM 202 CA ASP B 580 -11.794 -16.497 30.095 1.00 28.58 C ATOM 203 C ASP B 580 -11.658 -15.120 30.647 1.00 27.97 C ATOM 204 O ASP B 580 -11.741 -14.936 31.839 1.00 30.55 O ATOM 205 CB ASP B 580 -10.518 -17.293 30.505 1.00 31.33 C ATOM 206 CG ASP B 580 -10.639 -18.790 30.232 1.00 37.05 C ATOM 207 OD1 ASP B 580 -11.753 -19.339 30.350 1.00 42.80 O ATOM 208 OD2 ASP B 580 -9.601 -19.412 29.928 1.00 45.72 O ATOM 209 H ASP B 580 -11.280 -16.845 27.994 1.00 0.00 H ATOM 210 N LYS B 581 -11.384 -14.140 29.803 1.00 24.04 N ATOM 211 CA LYS B 581 -11.312 -12.780 30.246 1.00 25.48 C ATOM 212 C LYS B 581 -12.696 -12.088 30.237 1.00 24.58 C ATOM 213 O LYS B 581 -12.788 -10.873 30.484 1.00 32.45 O ATOM 214 CB LYS B 581 -10.322 -11.990 29.412 1.00 24.75 C ATOM 215 CG LYS B 581 -8.899 -12.555 29.337 1.00 26.57 C ATOM 216 CD LYS B 581 -8.239 -12.800 30.680 1.00 29.75 C ATOM 217 CE LYS B 581 -6.840 -13.370 30.406 1.00 36.13 C ATOM 218 NZ LYS B 581 -6.123 -13.532 31.687 1.00 41.02 N ATOM 219 HZ1 LYS B 581 -6.038 -12.607 32.155 1.00 0.00 H ATOM 220 HZ2 LYS B 581 -6.653 -14.185 32.299 1.00 0.00 H ATOM 221 HZ3 LYS B 581 -5.175 -13.918 31.506 1.00 0.00 H ATOM 222 H LYS B 581 -11.218 -14.360 28.800 1.00 0.00 H ATOM 223 N ASP B 582 -13.733 -12.826 29.855 1.00 25.74 N ATOM 224 CA ASP B 582 -15.110 -12.346 29.919 1.00 23.92 C ATOM 225 C ASP B 582 -15.912 -13.299 30.788 1.00 25.14 C ATOM 226 O ASP B 582 -16.767 -14.013 30.296 1.00 23.80 O ATOM 227 CB ASP B 582 -15.658 -12.234 28.486 1.00 23.43 C ATOM 228 CG ASP B 582 -17.143 -12.027 28.441 1.00 21.76 C ATOM 229 OD1 ASP B 582 -17.691 -11.290 29.318 1.00 24.15 O ATOM 230 OD2 ASP B 582 -17.769 -12.559 27.503 1.00 21.55 O ATOM 231 H ASP B 582 -13.556 -13.786 29.495 1.00 0.00 H ATOM 232 N PRO B 583 -15.628 -13.371 32.116 1.00 30.26 N ATOM 233 CA PRO B 583 -16.363 -14.360 32.936 1.00 28.42 C ATOM 234 C PRO B 583 -17.885 -14.012 33.069 1.00 23.18 C ATOM 235 O PRO B 583 -18.724 -14.899 33.270 1.00 22.02 O ATOM 236 CB PRO B 583 -15.632 -14.286 34.298 1.00 30.60 C ATOM 237 CG PRO B 583 -15.194 -12.877 34.381 1.00 32.11 C ATOM 238 CD PRO B 583 -14.790 -12.492 32.952 1.00 34.37 C ATOM 239 N ALA B 584 -18.254 -12.776 32.808 1.00 21.65 N ATOM 240 CA ALA B 584 -19.675 -12.408 32.790 1.00 22.01 C ATOM 241 C ALA B 584 -20.435 -12.964 31.598 1.00 21.90 C ATOM 242 O ALA B 584 -21.660 -12.925 31.585 1.00 23.28 O ATOM 243 CB ALA B 584 -19.798 -10.920 32.847 1.00 21.14 C ATOM 244 H ALA B 584 -17.532 -12.053 32.613 1.00 0.00 H ATOM 245 N ARG B 585 -19.716 -13.456 30.592 1.00 20.44 N ATOM 246 CA ARG B 585 -20.308 -13.948 29.351 1.00 21.33 C ATOM 247 C ARG B 585 -21.013 -12.903 28.542 1.00 19.99 C ATOM 248 O ARG B 585 -21.780 -13.255 27.661 1.00 19.53 O ATOM 249 CB ARG B 585 -21.266 -15.141 29.553 1.00 23.77 C ATOM 250 CG ARG B 585 -20.703 -16.254 30.451 1.00 28.15 C ATOM 251 CD ARG B 585 -19.466 -16.916 29.885 1.00 33.64 C ATOM 252 NE ARG B 585 -19.747 -17.822 28.754 1.00 43.88 N ATOM 253 CZ ARG B 585 -18.832 -18.555 28.110 1.00 45.43 C ATOM 254 NH1 ARG B 585 -17.544 -18.486 28.435 1.00 46.74 N ATOM 255 NH2 ARG B 585 -19.201 -19.336 27.105 1.00 49.47 N ATOM 256 HE ARG B 585 -20.733 -17.896 28.433 1.00 0.00 H ATOM 257 HH12 ARG B 585 -16.847 -19.063 27.923 1.00 0.00 H ATOM 258 HH11 ARG B 585 -17.234 -17.855 29.201 1.00 0.00 H ATOM 259 HH22 ARG B 585 -18.492 -19.907 26.603 1.00 0.00 H ATOM 260 HH21 ARG B 585 -20.200 -19.378 26.819 1.00 0.00 H ATOM 261 H ARG B 585 -18.682 -13.492 30.695 1.00 0.00 H ATOM 262 N ILE B 586 -20.719 -11.627 28.801 1.00 19.96 N ATOM 263 CA ILE B 586 -21.252 -10.529 28.027 1.00 18.76 C ATOM 264 C ILE B 586 -21.026 -10.645 26.511 1.00 18.59 C ATOM 265 O ILE B 586 -21.865 -10.159 25.742 1.00 21.33 O ATOM 266 CB ILE B 586 -20.745 -9.166 28.620 1.00 20.03 C ATOM 267 CG1 ILE B 586 -21.427 -8.941 29.970 1.00 19.65 C ATOM 268 CG2 ILE B 586 -21.113 -8.018 27.716 1.00 20.00 C ATOM 269 CD1 ILE B 586 -20.852 -7.828 30.830 1.00 21.35 C ATOM 270 H ILE B 586 -20.080 -11.414 29.593 1.00 0.00 H ATOM 271 N PHE B 587 -19.885 -11.217 26.101 1.00 17.31 N ATOM 272 CA PHE B 587 -19.459 -11.234 24.727 1.00 19.04 C ATOM 273 C PHE B 587 -19.523 -12.660 24.108 1.00 22.35 C ATOM 274 O PHE B 587 -19.002 -12.903 23.006 1.00 20.75 O ATOM 275 CB PHE B 587 -18.068 -10.645 24.594 1.00 17.48 C ATOM 276 CG PHE B 587 -17.939 -9.240 25.128 1.00 16.11 C ATOM 277 CD1 PHE B 587 -18.496 -8.176 24.451 1.00 15.66 C ATOM 278 CD2 PHE B 587 -17.293 -9.000 26.297 1.00 16.32 C ATOM 279 CE1 PHE B 587 -18.401 -6.887 24.925 1.00 17.05 C ATOM 280 CE2 PHE B 587 -17.268 -7.718 26.836 1.00 17.36 C ATOM 281 CZ PHE B 587 -17.784 -6.658 26.138 1.00 16.97 C ATOM 282 H PHE B 587 -19.277 -11.671 26.812 1.00 0.00 H ATOM 283 N ALA B 588 -20.208 -13.559 24.792 1.00 18.86 N ATOM 284 CA ALA B 588 -20.129 -15.006 24.462 1.00 24.12 C ATOM 285 C ALA B 588 -21.074 -15.392 23.352 1.00 24.44 C ATOM 286 O ALA B 588 -20.934 -16.443 22.796 1.00 26.34 O ATOM 287 CB ALA B 588 -20.406 -15.863 25.695 1.00 23.87 C ATOM 288 H ALA B 588 -20.815 -13.248 25.577 1.00 0.00 H ATOM 289 N GLN B 589 -22.046 -14.551 23.057 1.00 22.35 N ATOM 290 CA GLN B 589 -23.027 -14.796 22.054 1.00 24.34 C ATOM 291 C GLN B 589 -23.410 -13.422 21.474 1.00 24.86 C ATOM 292 O GLN B 589 -23.067 -12.389 22.081 1.00 20.89 O ATOM 293 CB GLN B 589 -24.289 -15.508 22.649 1.00 25.17 C ATOM 294 CG GLN B 589 -25.061 -14.689 23.705 1.00 27.00 C ATOM 295 CD GLN B 589 -24.268 -14.651 25.020 1.00 27.65 C ATOM 296 OE1 GLN B 589 -23.984 -15.736 25.584 1.00 26.04 O ATOM 297 NE2 GLN B 589 -23.863 -13.425 25.501 1.00 23.65 N ATOM 298 HE22 GLN B 589 -24.126 -12.555 24.995 1.00 0.00 H ATOM 299 HE21 GLN B 589 -23.295 -13.369 26.370 1.00 0.00 H ATOM 300 H GLN B 589 -22.099 -13.658 23.587 1.00 0.00 H ATOM 301 N PRO B 590 -24.166 -13.407 20.346 1.00 24.03 N ATOM 302 CA PRO B 590 -24.641 -12.143 19.779 1.00 23.27 C ATOM 303 C PRO B 590 -25.368 -11.331 20.787 1.00 25.64 C ATOM 304 O PRO B 590 -26.082 -11.862 21.636 1.00 22.78 O ATOM 305 CB PRO B 590 -25.525 -12.563 18.574 1.00 24.17 C ATOM 306 CG PRO B 590 -24.922 -13.867 18.140 1.00 25.92 C ATOM 307 CD PRO B 590 -24.451 -14.554 19.427 1.00 25.20 C ATOM 308 N VAL B 591 -25.137 -10.030 20.733 1.00 20.50 N ATOM 309 CA VAL B 591 -26.042 -9.149 21.459 1.00 22.38 C ATOM 310 C VAL B 591 -27.507 -9.506 21.136 1.00 21.44 C ATOM 311 O VAL B 591 -27.914 -9.600 19.971 1.00 22.25 O ATOM 312 CB VAL B 591 -25.757 -7.662 21.177 1.00 21.67 C ATOM 313 CG1 VAL B 591 -26.838 -6.784 21.801 1.00 22.00 C ATOM 314 CG2 VAL B 591 -24.306 -7.298 21.548 1.00 21.92 C ATOM 315 H VAL B 591 -24.336 -9.649 20.190 1.00 0.00 H ATOM 316 N SER B 592 -28.301 -9.748 22.171 1.00 24.25 N ATOM 317 CA SER B 592 -29.711 -10.148 21.977 1.00 22.93 C ATOM 318 C SER B 592 -30.549 -9.103 21.360 1.00 22.83 C ATOM 319 O SER B 592 -30.629 -7.994 21.875 1.00 24.99 O ATOM 320 CB SER B 592 -30.371 -10.494 23.341 1.00 27.25 C ATOM 321 OG SER B 592 -31.761 -10.681 23.139 1.00 24.01 O ATOM 322 HG SER B 592 -32.155 -9.849 22.776 1.00 0.00 H ATOM 323 H SER B 592 -27.925 -9.655 23.136 1.00 0.00 H ATOM 324 N LEU B 593 -31.206 -9.408 20.244 1.00 22.76 N ATOM 325 CA LEU B 593 -32.072 -8.440 19.622 1.00 25.50 C ATOM 326 C LEU B 593 -33.427 -8.407 20.279 1.00 29.58 C ATOM 327 O LEU B 593 -34.188 -7.440 20.106 1.00 26.98 O ATOM 328 CB LEU B 593 -32.202 -8.691 18.110 1.00 28.74 C ATOM 329 CG LEU B 593 -30.846 -8.730 17.379 1.00 31.65 C ATOM 330 CD1 LEU B 593 -31.038 -9.173 15.912 1.00 32.71 C ATOM 331 CD2 LEU B 593 -30.138 -7.371 17.526 1.00 32.08 C ATOM 332 H LEU B 593 -31.094 -10.350 19.819 1.00 0.00 H ATOM 333 N LYS B 594 -33.699 -9.407 21.117 1.00 26.80 N ATOM 334 CA LYS B 594 -34.846 -9.319 22.048 1.00 31.28 C ATOM 335 C LYS B 594 -34.626 -8.215 23.097 1.00 25.57 C ATOM 336 O LYS B 594 -35.508 -7.417 23.364 1.00 25.34 O ATOM 337 CB LYS B 594 -35.102 -10.723 22.702 1.00 34.72 C ATOM 338 CG LYS B 594 -36.192 -10.789 23.788 1.00 39.26 C ATOM 339 CD LYS B 594 -36.091 -12.097 24.609 1.00 46.04 C ATOM 340 CE LYS B 594 -37.103 -12.113 25.755 1.00 44.99 C ATOM 341 NZ LYS B 594 -36.678 -11.189 26.850 1.00 42.31 N ATOM 342 HZ1 LYS B 594 -35.752 -11.489 27.215 1.00 0.00 H ATOM 343 HZ2 LYS B 594 -36.608 -10.221 26.477 1.00 0.00 H ATOM 344 HZ3 LYS B 594 -37.380 -11.216 27.617 1.00 0.00 H ATOM 345 H LYS B 594 -33.100 -10.257 21.117 1.00 0.00 H ATOM 346 N GLU B 595 -33.442 -8.163 23.699 1.00 23.38 N ATOM 347 CA GLU B 595 -33.137 -7.201 24.748 1.00 22.11 C ATOM 348 C GLU B 595 -32.857 -5.819 24.171 1.00 23.63 C ATOM 349 O GLU B 595 -33.089 -4.860 24.829 1.00 22.01 O ATOM 350 CB GLU B 595 -31.940 -7.644 25.606 1.00 24.36 C ATOM 351 CG GLU B 595 -32.040 -9.049 26.228 1.00 24.76 C ATOM 352 CD GLU B 595 -33.162 -9.165 27.285 1.00 25.23 C ATOM 353 OE1 GLU B 595 -33.511 -8.119 27.796 1.00 22.80 O ATOM 354 OE2 GLU B 595 -33.676 -10.312 27.550 1.00 29.65 O ATOM 355 H GLU B 595 -32.704 -8.836 23.409 1.00 0.00 H ATOM 356 N VAL B 596 -32.264 -5.758 22.972 1.00 22.40 N ATOM 357 CA VAL B 596 -31.825 -4.549 22.350 1.00 24.23 C ATOM 358 C VAL B 596 -32.390 -4.497 20.911 1.00 25.26 C ATOM 359 O VAL B 596 -31.669 -4.717 19.937 1.00 21.53 O ATOM 360 CB VAL B 596 -30.301 -4.493 22.315 1.00 25.66 C ATOM 361 CG1 VAL B 596 -29.884 -3.072 22.016 1.00 26.71 C ATOM 362 CG2 VAL B 596 -29.714 -4.934 23.655 1.00 26.30 C ATOM 363 H VAL B 596 -32.113 -6.650 22.459 1.00 0.00 H ATOM 364 N PRO B 597 -33.714 -4.241 20.786 1.00 28.42 N ATOM 365 CA PRO B 597 -34.344 -4.342 19.469 1.00 28.81 C ATOM 366 C PRO B 597 -33.788 -3.370 18.435 1.00 29.03 C ATOM 367 O PRO B 597 -33.845 -3.698 17.306 1.00 31.52 O ATOM 368 CB PRO B 597 -35.824 -3.999 19.728 1.00 30.12 C ATOM 369 CG PRO B 597 -36.020 -4.001 21.194 1.00 32.13 C ATOM 370 CD PRO B 597 -34.695 -3.958 21.874 1.00 29.84 C ATOM 371 N ASP B 598 -33.225 -2.244 18.844 1.00 26.16 N ATOM 372 CA ASP B 598 -32.688 -1.258 17.906 1.00 30.86 C ATOM 373 C ASP B 598 -31.173 -1.465 17.588 1.00 27.71 C ATOM 374 O ASP B 598 -30.580 -0.597 16.916 1.00 24.67 O ATOM 375 CB ASP B 598 -32.940 0.182 18.427 1.00 32.31 C ATOM 376 CG ASP B 598 -31.989 0.613 19.524 1.00 37.07 C ATOM 377 OD1 ASP B 598 -31.231 -0.210 20.114 1.00 35.23 O ATOM 378 OD2 ASP B 598 -31.955 1.825 19.803 1.00 41.36 O ATOM 379 H ASP B 598 -33.162 -2.054 19.865 1.00 0.00 H ATOM 380 N TYR B 599 -30.578 -2.560 18.073 1.00 23.34 N ATOM 381 CA TYR B 599 -29.109 -2.675 18.036 1.00 23.94 C ATOM 382 C TYR B 599 -28.590 -2.538 16.592 1.00 23.87 C ATOM 383 O TYR B 599 -27.599 -1.852 16.371 1.00 21.16 O ATOM 384 CB TYR B 599 -28.663 -3.990 18.658 1.00 20.88 C ATOM 385 CG TYR B 599 -27.181 -4.149 18.787 1.00 21.17 C ATOM 386 CD1 TYR B 599 -26.443 -3.396 19.697 1.00 19.15 C ATOM 387 CD2 TYR B 599 -26.487 -5.109 18.049 1.00 19.52 C ATOM 388 CE1 TYR B 599 -25.057 -3.529 19.806 1.00 19.56 C ATOM 389 CE2 TYR B 599 -25.118 -5.262 18.175 1.00 20.34 C ATOM 390 CZ TYR B 599 -24.391 -4.481 19.089 1.00 19.86 C ATOM 391 OH TYR B 599 -23.010 -4.598 19.192 1.00 17.97 O ATOM 392 HH TYR B 599 -22.678 -3.973 19.884 1.00 0.00 H ATOM 393 H TYR B 599 -31.151 -3.329 18.476 1.00 0.00 H ATOM 394 N LEU B 600 -29.229 -3.192 15.619 1.00 23.52 N ATOM 395 CA LEU B 600 -28.680 -3.177 14.257 1.00 26.33 C ATOM 396 C LEU B 600 -28.821 -1.830 13.548 1.00 24.63 C ATOM 397 O LEU B 600 -28.176 -1.633 12.536 1.00 24.29 O ATOM 398 CB LEU B 600 -29.234 -4.296 13.366 1.00 29.00 C ATOM 399 CG LEU B 600 -29.172 -5.729 13.933 1.00 29.57 C ATOM 400 CD1 LEU B 600 -29.813 -6.677 12.918 1.00 36.32 C ATOM 401 CD2 LEU B 600 -27.770 -6.178 14.247 1.00 28.62 C ATOM 402 H LEU B 600 -30.108 -3.708 15.824 1.00 0.00 H ATOM 403 N ASP B 601 -29.629 -0.906 14.065 1.00 22.83 N ATOM 404 CA ASP B 601 -29.596 0.465 13.614 1.00 26.13 C ATOM 405 C ASP B 601 -28.326 1.164 14.012 1.00 25.88 C ATOM 406 O ASP B 601 -27.904 2.137 13.338 1.00 27.65 O ATOM 407 CB ASP B 601 -30.761 1.314 14.158 1.00 27.63 C ATOM 408 CG ASP B 601 -32.151 0.812 13.693 1.00 31.06 C ATOM 409 OD1 ASP B 601 -32.227 0.087 12.702 1.00 33.75 O ATOM 410 OD2 ASP B 601 -33.149 1.138 14.369 1.00 36.41 O ATOM 411 H ASP B 601 -30.300 -1.179 14.812 1.00 0.00 H ATOM 412 N HIS B 602 -27.747 0.775 15.147 1.00 21.82 N ATOM 413 CA HIS B 602 -26.506 1.414 15.624 1.00 20.35 C ATOM 414 C HIS B 602 -25.265 0.705 15.125 1.00 19.66 C ATOM 415 O HIS B 602 -24.260 1.343 14.861 1.00 19.46 O ATOM 416 CB HIS B 602 -26.481 1.424 17.173 1.00 20.07 C ATOM 417 CG HIS B 602 -27.576 2.245 17.755 1.00 20.53 C ATOM 418 ND1 HIS B 602 -27.385 3.552 18.110 1.00 21.26 N ATOM 419 CD2 HIS B 602 -28.901 2.009 17.915 1.00 23.09 C ATOM 420 CE1 HIS B 602 -28.525 4.070 18.532 1.00 22.81 C ATOM 421 NE2 HIS B 602 -29.467 3.164 18.411 1.00 22.14 N ATOM 422 H HIS B 602 -28.176 0.010 15.705 1.00 0.00 H ATOM 423 N ILE B 603 -25.298 -0.623 15.101 1.00 18.15 N ATOM 424 CA ILE B 603 -24.138 -1.421 14.882 1.00 18.74 C ATOM 425 C ILE B 603 -24.323 -2.221 13.617 1.00 19.97 C ATOM 426 O ILE B 603 -25.184 -3.095 13.526 1.00 19.81 O ATOM 427 CB ILE B 603 -23.802 -2.292 16.113 1.00 17.18 C ATOM 428 CG1 ILE B 603 -23.374 -1.438 17.317 1.00 18.98 C ATOM 429 CG2 ILE B 603 -22.685 -3.277 15.789 1.00 17.78 C ATOM 430 CD1 ILE B 603 -22.138 -0.609 17.066 1.00 19.38 C ATOM 431 H ILE B 603 -26.210 -1.101 15.248 1.00 0.00 H ATOM 432 N LYS B 604 -23.491 -1.926 12.628 1.00 20.95 N ATOM 433 CA LYS B 604 -23.661 -2.545 11.304 1.00 27.54 C ATOM 434 C LYS B 604 -23.002 -3.885 11.136 1.00 29.48 C ATOM 435 O LYS B 604 -23.364 -4.608 10.237 1.00 27.41 O ATOM 436 CB LYS B 604 -23.189 -1.553 10.223 1.00 30.83 C ATOM 437 CG LYS B 604 -24.171 -0.371 10.028 1.00 31.44 C ATOM 438 CD LYS B 604 -25.633 -0.819 9.768 1.00 38.77 C ATOM 439 CE LYS B 604 -26.649 0.263 10.149 1.00 41.52 C ATOM 440 NZ LYS B 604 -28.040 -0.040 9.749 1.00 38.89 N ATOM 441 HZ1 LYS B 604 -28.086 -0.151 8.716 1.00 0.00 H ATOM 442 HZ2 LYS B 604 -28.347 -0.921 10.208 1.00 0.00 H ATOM 443 HZ3 LYS B 604 -28.662 0.740 10.043 1.00 0.00 H ATOM 444 H LYS B 604 -22.714 -1.254 12.789 1.00 0.00 H ATOM 445 N HIS B 605 -22.013 -4.218 11.977 1.00 24.99 N ATOM 446 CA HIS B 605 -21.314 -5.471 11.884 1.00 26.32 C ATOM 447 C HIS B 605 -21.184 -6.102 13.290 1.00 22.64 C ATOM 448 O HIS B 605 -20.103 -6.058 13.902 1.00 18.92 O ATOM 449 CB HIS B 605 -19.937 -5.236 11.218 1.00 29.91 C ATOM 450 CG HIS B 605 -20.043 -4.607 9.854 1.00 38.04 C ATOM 451 ND1 HIS B 605 -20.676 -5.234 8.796 1.00 44.35 N ATOM 452 CD2 HIS B 605 -19.694 -3.381 9.402 1.00 41.18 C ATOM 453 CE1 HIS B 605 -20.687 -4.432 7.745 1.00 40.98 C ATOM 454 NE2 HIS B 605 -20.100 -3.302 8.084 1.00 44.94 N ATOM 455 H HIS B 605 -21.742 -3.546 12.723 1.00 0.00 H ATOM 456 N PRO B 606 -22.257 -6.682 13.784 1.00 23.50 N ATOM 457 CA PRO B 606 -22.198 -7.348 15.100 1.00 22.67 C ATOM 458 C PRO B 606 -21.152 -8.467 15.141 1.00 23.57 C ATOM 459 O PRO B 606 -20.824 -9.087 14.119 1.00 20.61 O ATOM 460 CB PRO B 606 -23.612 -7.957 15.277 1.00 25.28 C ATOM 461 CG PRO B 606 -24.454 -7.223 14.270 1.00 30.75 C ATOM 462 CD PRO B 606 -23.520 -6.926 13.110 1.00 25.13 C ATOM 463 N MET B 607 -20.591 -8.715 16.313 1.00 19.71 N ATOM 464 CA MET B 607 -19.660 -9.812 16.473 1.00 20.99 C ATOM 465 C MET B 607 -19.623 -10.200 17.931 1.00 21.71 C ATOM 466 O MET B 607 -19.925 -9.373 18.834 1.00 19.26 O ATOM 467 CB MET B 607 -18.284 -9.337 16.019 1.00 20.82 C ATOM 468 CG MET B 607 -17.192 -10.398 15.902 1.00 22.98 C ATOM 469 SD MET B 607 -17.578 -11.916 15.015 1.00 23.65 S ATOM 470 CE MET B 607 -18.220 -11.280 13.464 1.00 26.76 C ATOM 471 H MET B 607 -20.822 -8.114 17.130 1.00 0.00 H ATOM 472 N ASP B 608 -19.235 -11.458 18.149 1.00 20.73 N ATOM 473 CA ASP B 608 -19.212 -12.051 19.470 1.00 22.07 C ATOM 474 C ASP B 608 -18.360 -13.335 19.392 1.00 22.12 C ATOM 475 O ASP B 608 -18.114 -13.814 18.289 1.00 23.26 O ATOM 476 CB ASP B 608 -20.639 -12.384 19.833 1.00 22.82 C ATOM 477 CG ASP B 608 -21.219 -13.446 18.942 1.00 25.48 C ATOM 478 OD1 ASP B 608 -21.784 -13.102 17.887 1.00 27.34 O ATOM 479 OD2 ASP B 608 -21.045 -14.628 19.303 1.00 26.53 O ATOM 480 H ASP B 608 -18.937 -12.036 17.337 1.00 0.00 H ATOM 481 N PHE B 609 -17.984 -13.883 20.528 1.00 22.09 N ATOM 482 CA PHE B 609 -17.055 -15.028 20.556 1.00 24.70 C ATOM 483 C PHE B 609 -17.623 -16.330 19.945 1.00 26.81 C ATOM 484 O PHE B 609 -16.872 -17.130 19.367 1.00 25.93 O ATOM 485 CB PHE B 609 -16.579 -15.295 21.980 1.00 20.82 C ATOM 486 CG PHE B 609 -15.652 -14.292 22.536 1.00 21.09 C ATOM 487 CD1 PHE B 609 -14.542 -13.855 21.832 1.00 22.15 C ATOM 488 CD2 PHE B 609 -15.830 -13.854 23.860 1.00 23.69 C ATOM 489 CE1 PHE B 609 -13.626 -12.997 22.395 1.00 24.10 C ATOM 490 CE2 PHE B 609 -14.906 -13.021 24.442 1.00 26.06 C ATOM 491 CZ PHE B 609 -13.819 -12.569 23.725 1.00 25.01 C ATOM 492 H PHE B 609 -18.349 -13.501 21.424 1.00 0.00 H ATOM 493 N ALA B 610 -18.934 -16.521 20.000 1.00 27.02 N ATOM 494 CA ALA B 610 -19.519 -17.718 19.425 1.00 28.44 C ATOM 495 C ALA B 610 -19.416 -17.658 17.895 1.00 30.60 C ATOM 496 O ALA B 610 -19.128 -18.674 17.227 1.00 28.47 O ATOM 497 CB ALA B 610 -20.968 -17.902 19.874 1.00 26.24 C ATOM 498 H ALA B 610 -19.544 -15.812 20.456 1.00 0.00 H ATOM 499 N THR B 611 -19.696 -16.466 17.358 1.00 27.37 N ATOM 500 CA THR B 611 -19.581 -16.226 15.956 1.00 27.51 C ATOM 501 C THR B 611 -18.110 -16.371 15.498 1.00 28.70 C ATOM 502 O THR B 611 -17.870 -16.988 14.430 1.00 32.29 O ATOM 503 CB THR B 611 -20.213 -14.892 15.572 1.00 27.92 C ATOM 504 OG1 THR B 611 -21.591 -14.909 15.958 1.00 25.79 O ATOM 505 CG2 THR B 611 -20.099 -14.629 14.034 1.00 27.60 C ATOM 506 HG1 THR B 611 -22.054 -15.648 15.490 1.00 0.00 H ATOM 507 H THR B 611 -20.006 -15.692 17.979 1.00 0.00 H ATOM 508 N MET B 612 -17.143 -15.909 16.293 1.00 25.91 N ATOM 509 CA MET B 612 -15.713 -16.191 15.993 1.00 28.15 C ATOM 510 C MET B 612 -15.411 -17.695 15.969 1.00 30.79 C ATOM 511 O MET B 612 -14.638 -18.145 15.118 1.00 29.16 O ATOM 512 CB MET B 612 -14.751 -15.469 16.937 1.00 23.74 C ATOM 513 CG MET B 612 -14.918 -13.964 16.809 1.00 23.78 C ATOM 514 SD MET B 612 -13.757 -13.058 17.857 1.00 23.75 S ATOM 515 CE MET B 612 -12.252 -13.582 17.101 1.00 21.91 C ATOM 516 H MET B 612 -17.391 -15.346 17.131 1.00 0.00 H ATOM 517 N ARG B 613 -16.024 -18.439 16.901 1.00 33.05 N ATOM 518 CA ARG B 613 -15.704 -19.829 17.122 1.00 32.52 C ATOM 519 C ARG B 613 -16.216 -20.593 15.922 1.00 35.02 C ATOM 520 O ARG B 613 -15.477 -21.417 15.405 1.00 33.00 O ATOM 521 CB ARG B 613 -16.322 -20.377 18.400 1.00 32.24 C ATOM 522 CG ARG B 613 -15.711 -21.732 18.841 1.00 35.82 C ATOM 523 CD ARG B 613 -16.155 -22.137 20.274 1.00 34.06 C ATOM 524 NE ARG B 613 -15.457 -21.314 21.276 1.00 32.98 N ATOM 525 CZ ARG B 613 -14.207 -21.490 21.720 1.00 36.46 C ATOM 526 NH1 ARG B 613 -13.426 -22.489 21.290 1.00 38.21 N ATOM 527 NH2 ARG B 613 -13.696 -20.646 22.616 1.00 36.26 N ATOM 528 HE ARG B 613 -15.989 -20.516 21.679 1.00 0.00 H ATOM 529 HH12 ARG B 613 -12.460 -22.590 21.661 1.00 0.00 H ATOM 530 HH11 ARG B 613 -13.786 -23.164 20.585 1.00 0.00 H ATOM 531 HH22 ARG B 613 -12.725 -20.781 22.963 1.00 0.00 H ATOM 532 HH21 ARG B 613 -14.269 -19.853 22.969 1.00 0.00 H ATOM 533 H ARG B 613 -16.760 -17.997 17.488 1.00 0.00 H ATOM 534 N LYS B 614 -17.444 -20.314 15.473 1.00 34.20 N ATOM 535 CA LYS B 614 -17.941 -20.897 14.216 1.00 37.46 C ATOM 536 C LYS B 614 -16.996 -20.695 13.057 1.00 37.38 C ATOM 537 O LYS B 614 -16.594 -21.646 12.410 1.00 36.83 O ATOM 538 CB LYS B 614 -19.287 -20.359 13.798 1.00 46.39 C ATOM 539 CG LYS B 614 -20.432 -21.065 14.469 1.00 56.34 C ATOM 540 CD LYS B 614 -21.754 -20.667 13.826 1.00 70.46 C ATOM 541 CE LYS B 614 -22.914 -20.764 14.825 1.00 79.40 C ATOM 542 NZ LYS B 614 -24.037 -19.867 14.430 1.00 87.48 N ATOM 543 HZ1 LYS B 614 -23.701 -18.883 14.404 1.00 0.00 H ATOM 544 HZ2 LYS B 614 -24.384 -20.141 13.489 1.00 0.00 H ATOM 545 HZ3 LYS B 614 -24.808 -19.953 15.123 1.00 0.00 H ATOM 546 H LYS B 614 -18.057 -19.676 16.020 1.00 0.00 H ATOM 547 N ARG B 615 -16.626 -19.447 12.816 1.00 32.04 N ATOM 548 CA ARG B 615 -15.686 -19.127 11.764 1.00 32.68 C ATOM 549 C ARG B 615 -14.342 -19.868 11.907 1.00 33.29 C ATOM 550 O ARG B 615 -13.796 -20.390 10.918 1.00 33.71 O ATOM 551 CB ARG B 615 -15.495 -17.603 11.655 1.00 34.06 C ATOM 552 CG ARG B 615 -14.638 -17.208 10.478 1.00 34.84 C ATOM 553 CD ARG B 615 -14.695 -15.736 10.189 1.00 35.14 C ATOM 554 NE ARG B 615 -13.638 -15.447 9.250 1.00 35.51 N ATOM 555 CZ ARG B 615 -13.241 -14.244 8.901 1.00 37.84 C ATOM 556 NH1 ARG B 615 -13.817 -13.145 9.402 1.00 39.26 N ATOM 557 NH2 ARG B 615 -12.212 -14.138 8.072 1.00 39.82 N ATOM 558 HE ARG B 615 -13.151 -16.256 8.814 1.00 0.00 H ATOM 559 HH12 ARG B 615 -13.484 -12.204 9.110 1.00 0.00 H ATOM 560 HH11 ARG B 615 -14.597 -13.232 10.084 1.00 0.00 H ATOM 561 HH22 ARG B 615 -11.876 -13.199 7.778 1.00 0.00 H ATOM 562 HH21 ARG B 615 -11.741 -14.994 7.715 1.00 0.00 H ATOM 563 H ARG B 615 -17.020 -18.679 13.396 1.00 0.00 H ATOM 564 N LEU B 616 -13.811 -19.910 13.121 1.00 31.66 N ATOM 565 CA LEU B 616 -12.577 -20.627 13.401 1.00 34.80 C ATOM 566 C LEU B 616 -12.647 -22.096 12.975 1.00 39.71 C ATOM 567 O LEU B 616 -11.734 -22.606 12.327 1.00 39.52 O ATOM 568 CB LEU B 616 -12.268 -20.578 14.901 1.00 35.42 C ATOM 569 CG LEU B 616 -10.997 -21.297 15.323 1.00 37.35 C ATOM 570 CD1 LEU B 616 -9.744 -20.621 14.798 1.00 40.74 C ATOM 571 CD2 LEU B 616 -10.932 -21.411 16.845 1.00 44.37 C ATOM 572 H LEU B 616 -14.292 -19.414 13.898 1.00 0.00 H ATOM 573 N GLU B 617 -13.714 -22.757 13.411 1.00 40.73 N ATOM 574 CA GLU B 617 -13.889 -24.183 13.231 1.00 42.29 C ATOM 575 C GLU B 617 -14.279 -24.521 11.764 1.00 43.92 C ATOM 576 O GLU B 617 -14.068 -25.653 11.358 1.00 46.22 O ATOM 577 CB GLU B 617 -14.898 -24.708 14.260 1.00 36.26 C ATOM 578 H GLU B 617 -14.459 -22.225 13.905 1.00 0.00 H ATOM 579 N ALA B 618 -14.775 -23.557 10.975 1.00 40.08 N ATOM 580 CA ALA B 618 -14.821 -23.666 9.507 1.00 36.76 C ATOM 581 C ALA B 618 -13.530 -23.197 8.772 1.00 40.28 C ATOM 582 O ALA B 618 -13.553 -22.811 7.587 1.00 40.14 O ATOM 583 CB ALA B 618 -16.007 -22.933 8.958 1.00 38.15 C ATOM 584 H ALA B 618 -15.144 -22.693 11.420 1.00 0.00 H ATOM 585 N GLN B 619 -12.403 -23.204 9.456 1.00 38.16 N ATOM 586 CA GLN B 619 -11.132 -22.800 8.841 1.00 43.54 C ATOM 587 C GLN B 619 -11.293 -21.461 8.096 1.00 43.53 C ATOM 588 O GLN B 619 -10.682 -21.256 7.054 1.00 38.60 O ATOM 589 CB GLN B 619 -10.528 -23.914 7.920 1.00 48.36 C ATOM 590 CG GLN B 619 -10.415 -25.337 8.505 1.00 51.87 C ATOM 591 CD GLN B 619 -9.191 -25.624 9.402 1.00 59.42 C ATOM 592 OE1 GLN B 619 -8.060 -25.191 9.147 1.00 64.80 O ATOM 593 NE2 GLN B 619 -9.419 -26.400 10.448 1.00 62.87 N ATOM 594 HE22 GLN B 619 -10.380 -26.749 10.637 1.00 0.00 H ATOM 595 HE21 GLN B 619 -8.637 -26.662 11.082 1.00 0.00 H ATOM 596 H GLN B 619 -12.414 -23.502 10.452 1.00 0.00 H ATOM 597 N GLY B 620 -12.094 -20.550 8.684 1.00 37.09 N ATOM 598 CA GLY B 620 -12.408 -19.264 8.135 1.00 33.04 C ATOM 599 C GLY B 620 -11.372 -18.180 8.387 1.00 30.01 C ATOM 600 O GLY B 620 -11.461 -17.140 7.787 1.00 31.63 O ATOM 601 H GLY B 620 -12.514 -20.798 9.602 1.00 0.00 H ATOM 602 N TYR B 621 -10.436 -18.405 9.300 1.00 32.04 N ATOM 603 CA TYR B 621 -9.371 -17.452 9.561 1.00 31.62 C ATOM 604 C TYR B 621 -8.102 -17.934 8.859 1.00 35.34 C ATOM 605 O TYR B 621 -7.488 -18.954 9.294 1.00 36.72 O ATOM 606 CB TYR B 621 -9.098 -17.304 11.074 1.00 31.54 C ATOM 607 CG TYR B 621 -10.255 -16.631 11.813 1.00 27.46 C ATOM 608 CD1 TYR B 621 -10.713 -15.368 11.433 1.00 27.70 C ATOM 609 CD2 TYR B 621 -10.908 -17.276 12.845 1.00 28.07 C ATOM 610 CE1 TYR B 621 -11.765 -14.771 12.087 1.00 29.58 C ATOM 611 CE2 TYR B 621 -11.959 -16.688 13.509 1.00 28.80 C ATOM 612 CZ TYR B 621 -12.377 -15.431 13.150 1.00 31.22 C ATOM 613 OH TYR B 621 -13.461 -14.864 13.828 1.00 30.44 O ATOM 614 HH TYR B 621 -13.644 -13.963 13.461 1.00 0.00 H ATOM 615 H TYR B 621 -10.466 -19.290 9.845 1.00 0.00 H ATOM 616 N LYS B 622 -7.707 -17.205 7.824 1.00 34.08 N ATOM 617 CA LYS B 622 -6.522 -17.574 7.076 1.00 39.44 C ATOM 618 C LYS B 622 -5.269 -16.975 7.687 1.00 38.74 C ATOM 619 O LYS B 622 -4.168 -17.361 7.320 1.00 39.85 O ATOM 620 CB LYS B 622 -6.648 -17.272 5.580 1.00 44.72 C ATOM 621 CG LYS B 622 -6.842 -15.829 5.139 1.00 53.56 C ATOM 622 CD LYS B 622 -6.505 -15.623 3.633 1.00 60.69 C ATOM 623 CE LYS B 622 -7.002 -14.282 3.073 1.00 61.83 C ATOM 624 NZ LYS B 622 -8.488 -14.311 2.874 1.00 64.52 N ATOM 625 HZ1 LYS B 622 -8.732 -15.068 2.204 1.00 0.00 H ATOM 626 HZ2 LYS B 622 -8.955 -14.490 3.786 1.00 0.00 H ATOM 627 HZ3 LYS B 622 -8.804 -13.395 2.495 1.00 0.00 H ATOM 628 H LYS B 622 -8.251 -16.363 7.547 1.00 0.00 H ATOM 629 N ASN B 623 -5.409 -16.053 8.637 1.00 29.83 N ATOM 630 CA ASN B 623 -4.265 -15.513 9.329 1.00 34.01 C ATOM 631 C ASN B 623 -4.746 -14.867 10.657 1.00 37.12 C ATOM 632 O ASN B 623 -5.974 -14.713 10.882 1.00 33.61 O ATOM 633 CB ASN B 623 -3.488 -14.505 8.449 1.00 36.57 C ATOM 634 CG ASN B 623 -4.369 -13.367 7.916 1.00 41.21 C ATOM 635 OD1 ASN B 623 -5.086 -12.688 8.661 1.00 35.60 O ATOM 636 ND2 ASN B 623 -4.321 -13.157 6.608 1.00 39.81 N ATOM 637 HD22 ASN B 623 -3.708 -13.746 6.009 1.00 0.00 H ATOM 638 HD21 ASN B 623 -4.897 -12.404 6.181 1.00 0.00 H ATOM 639 H ASN B 623 -6.361 -15.716 8.885 1.00 0.00 H ATOM 640 N LEU B 624 -3.780 -14.452 11.463 1.00 33.52 N ATOM 641 CA LEU B 624 -4.056 -13.921 12.781 1.00 32.25 C ATOM 642 C LEU B 624 -4.725 -12.550 12.679 1.00 34.57 C ATOM 643 O LEU B 624 -5.586 -12.194 13.500 1.00 30.09 O ATOM 644 CB LEU B 624 -2.808 -13.815 13.620 1.00 32.72 C ATOM 645 CG LEU B 624 -2.925 -13.107 14.969 1.00 34.25 C ATOM 646 CD1 LEU B 624 -3.878 -13.906 15.834 1.00 35.60 C ATOM 647 CD2 LEU B 624 -1.585 -12.926 15.656 1.00 36.98 C ATOM 648 H LEU B 624 -2.793 -14.509 11.139 1.00 0.00 H ATOM 649 N HIS B 625 -4.316 -11.761 11.704 1.00 30.38 N ATOM 650 CA HIS B 625 -4.920 -10.477 11.508 1.00 30.79 C ATOM 651 C HIS B 625 -6.454 -10.550 11.297 1.00 29.28 C ATOM 652 O HIS B 625 -7.179 -9.708 11.837 1.00 30.49 O ATOM 653 CB HIS B 625 -4.252 -9.734 10.340 1.00 36.50 C ATOM 654 CG HIS B 625 -4.800 -8.364 10.110 1.00 40.49 C ATOM 655 ND1 HIS B 625 -5.772 -8.095 9.171 1.00 46.83 N ATOM 656 CD2 HIS B 625 -4.529 -7.191 10.717 1.00 42.30 C ATOM 657 CE1 HIS B 625 -6.058 -6.811 9.193 1.00 45.22 C ATOM 658 NE2 HIS B 625 -5.327 -6.243 10.131 1.00 44.56 N ATOM 659 H HIS B 625 -3.550 -12.073 11.074 1.00 0.00 H ATOM 660 N GLU B 626 -6.955 -11.508 10.525 1.00 26.42 N ATOM 661 CA GLU B 626 -8.419 -11.637 10.354 1.00 28.94 C ATOM 662 C GLU B 626 -9.162 -11.895 11.689 1.00 29.02 C ATOM 663 O GLU B 626 -10.285 -11.427 11.901 1.00 26.65 O ATOM 664 CB GLU B 626 -8.798 -12.736 9.378 1.00 30.64 C ATOM 665 CG GLU B 626 -8.419 -12.405 7.918 1.00 35.43 C ATOM 666 CD GLU B 626 -8.752 -13.529 6.910 1.00 37.97 C ATOM 667 OE1 GLU B 626 -9.216 -14.618 7.292 1.00 36.78 O ATOM 668 OE2 GLU B 626 -8.504 -13.315 5.713 1.00 36.60 O ATOM 669 H GLU B 626 -6.316 -12.169 10.039 1.00 0.00 H ATOM 670 N PHE B 627 -8.519 -12.697 12.530 1.00 26.54 N ATOM 671 CA PHE B 627 -9.020 -13.021 13.852 1.00 27.19 C ATOM 672 C PHE B 627 -9.001 -11.769 14.740 1.00 25.55 C ATOM 673 O PHE B 627 -9.964 -11.481 15.409 1.00 27.30 O ATOM 674 CB PHE B 627 -8.145 -14.163 14.396 1.00 25.38 C ATOM 675 CG PHE B 627 -8.519 -14.633 15.760 1.00 23.51 C ATOM 676 CD1 PHE B 627 -7.998 -14.019 16.892 1.00 24.97 C ATOM 677 CD2 PHE B 627 -9.409 -15.672 15.903 1.00 24.34 C ATOM 678 CE1 PHE B 627 -8.319 -14.498 18.145 1.00 26.66 C ATOM 679 CE2 PHE B 627 -9.718 -16.177 17.150 1.00 25.29 C ATOM 680 CZ PHE B 627 -9.183 -15.595 18.267 1.00 24.68 C ATOM 681 H PHE B 627 -7.615 -13.112 12.227 1.00 0.00 H ATOM 682 N GLU B 628 -7.905 -11.030 14.762 1.00 26.23 N ATOM 683 CA GLU B 628 -7.828 -9.789 15.532 1.00 26.74 C ATOM 684 C GLU B 628 -8.820 -8.750 15.063 1.00 25.49 C ATOM 685 O GLU B 628 -9.384 -8.008 15.888 1.00 24.66 O ATOM 686 CB GLU B 628 -6.440 -9.156 15.525 1.00 29.96 C ATOM 687 CG GLU B 628 -5.396 -9.994 16.193 1.00 35.03 C ATOM 688 CD GLU B 628 -3.970 -9.492 15.939 1.00 42.21 C ATOM 689 OE1 GLU B 628 -3.511 -9.257 14.772 1.00 52.13 O ATOM 690 OE2 GLU B 628 -3.286 -9.361 16.926 1.00 40.63 O ATOM 691 H GLU B 628 -7.075 -11.340 14.217 1.00 0.00 H ATOM 692 N GLU B 629 -9.067 -8.678 13.758 1.00 22.91 N ATOM 693 CA GLU B 629 -10.150 -7.848 13.280 1.00 25.38 C ATOM 694 C GLU B 629 -11.508 -8.176 13.939 1.00 23.92 C ATOM 695 O GLU B 629 -12.248 -7.265 14.322 1.00 25.33 O ATOM 696 CB GLU B 629 -10.218 -7.866 11.740 1.00 29.19 C ATOM 697 CG GLU B 629 -8.960 -7.209 11.158 1.00 37.88 C ATOM 698 CD GLU B 629 -9.200 -5.812 10.670 1.00 51.42 C ATOM 699 OE1 GLU B 629 -8.722 -4.845 11.316 1.00 58.49 O ATOM 700 OE2 GLU B 629 -9.864 -5.710 9.614 1.00 65.44 O ATOM 701 H GLU B 629 -8.484 -9.216 13.085 1.00 0.00 H ATOM 702 N ASP B 630 -11.862 -9.435 14.046 1.00 22.90 N ATOM 703 CA ASP B 630 -13.150 -9.767 14.652 1.00 23.17 C ATOM 704 C ASP B 630 -13.134 -9.512 16.190 1.00 24.06 C ATOM 705 O ASP B 630 -14.160 -9.032 16.743 1.00 21.89 O ATOM 706 CB ASP B 630 -13.516 -11.212 14.411 1.00 24.69 C ATOM 707 CG ASP B 630 -14.253 -11.434 13.090 1.00 27.20 C ATOM 708 OD1 ASP B 630 -14.667 -10.423 12.492 1.00 25.63 O ATOM 709 OD2 ASP B 630 -14.451 -12.630 12.716 1.00 24.85 O ATOM 710 H ASP B 630 -11.233 -10.189 13.703 1.00 0.00 H ATOM 711 N PHE B 631 -11.994 -9.752 16.846 1.00 21.18 N ATOM 712 CA PHE B 631 -11.874 -9.397 18.272 1.00 21.05 C ATOM 713 C PHE B 631 -12.086 -7.865 18.474 1.00 23.12 C ATOM 714 O PHE B 631 -12.796 -7.376 19.385 1.00 20.93 O ATOM 715 CB PHE B 631 -10.520 -9.873 18.808 1.00 22.32 C ATOM 716 CG PHE B 631 -10.277 -9.500 20.249 1.00 22.44 C ATOM 717 CD1 PHE B 631 -11.017 -10.110 21.244 1.00 21.50 C ATOM 718 CD2 PHE B 631 -9.417 -8.494 20.561 1.00 23.86 C ATOM 719 CE1 PHE B 631 -10.876 -9.762 22.556 1.00 22.75 C ATOM 720 CE2 PHE B 631 -9.242 -8.116 21.896 1.00 26.74 C ATOM 721 CZ PHE B 631 -9.978 -8.763 22.887 1.00 24.30 C ATOM 722 H PHE B 631 -11.191 -10.189 16.350 1.00 0.00 H ATOM 723 N ASP B 632 -11.438 -7.086 17.646 1.00 22.47 N ATOM 724 CA ASP B 632 -11.537 -5.659 17.699 1.00 21.82 C ATOM 725 C ASP B 632 -12.972 -5.169 17.439 1.00 22.24 C ATOM 726 O ASP B 632 -13.415 -4.223 18.118 1.00 21.64 O ATOM 727 CB ASP B 632 -10.553 -4.924 16.770 1.00 25.77 C ATOM 728 CG ASP B 632 -9.100 -5.060 17.175 1.00 29.23 C ATOM 729 OD1 ASP B 632 -8.772 -5.470 18.296 1.00 28.31 O ATOM 730 OD2 ASP B 632 -8.288 -4.679 16.313 1.00 29.63 O ATOM 731 H ASP B 632 -10.829 -7.519 16.923 1.00 0.00 H ATOM 732 N LEU B 633 -13.697 -5.803 16.523 1.00 21.14 N ATOM 733 CA LEU B 633 -15.109 -5.511 16.319 1.00 21.60 C ATOM 734 C LEU B 633 -15.931 -5.672 17.598 1.00 21.05 C ATOM 735 O LEU B 633 -16.791 -4.821 17.869 1.00 20.00 O ATOM 736 CB LEU B 633 -15.758 -6.417 15.270 1.00 26.10 C ATOM 737 CG LEU B 633 -16.025 -5.989 13.873 1.00 28.11 C ATOM 738 CD1 LEU B 633 -16.789 -7.093 13.086 1.00 28.16 C ATOM 739 CD2 LEU B 633 -16.759 -4.629 13.860 1.00 28.55 C ATOM 740 H LEU B 633 -13.242 -6.530 15.934 1.00 0.00 H ATOM 741 N ILE B 634 -15.756 -6.777 18.324 1.00 17.89 N ATOM 742 CA ILE B 634 -16.470 -6.983 19.624 1.00 17.43 C ATOM 743 C ILE B 634 -16.297 -5.750 20.524 1.00 17.33 C ATOM 744 O ILE B 634 -17.284 -5.171 21.036 1.00 17.23 O ATOM 745 CB ILE B 634 -15.973 -8.239 20.359 1.00 17.93 C ATOM 746 CG1 ILE B 634 -16.286 -9.474 19.507 1.00 20.51 C ATOM 747 CG2 ILE B 634 -16.634 -8.423 21.773 1.00 18.35 C ATOM 748 CD1 ILE B 634 -15.697 -10.766 20.064 1.00 23.81 C ATOM 749 H ILE B 634 -15.108 -7.513 17.979 1.00 0.00 H ATOM 750 N ILE B 635 -15.050 -5.362 20.708 1.00 17.41 N ATOM 751 CA ILE B 635 -14.654 -4.275 21.595 1.00 17.39 C ATOM 752 C ILE B 635 -15.207 -2.928 21.079 1.00 18.66 C ATOM 753 O ILE B 635 -15.864 -2.193 21.837 1.00 16.80 O ATOM 754 CB ILE B 635 -13.125 -4.157 21.730 1.00 18.75 C ATOM 755 CG1 ILE B 635 -12.425 -5.435 22.268 1.00 23.67 C ATOM 756 CG2 ILE B 635 -12.772 -2.985 22.642 1.00 19.69 C ATOM 757 CD1 ILE B 635 -13.082 -6.025 23.493 1.00 22.44 C ATOM 758 H ILE B 635 -14.302 -5.863 20.187 1.00 0.00 H ATOM 759 N ASP B 636 -14.991 -2.627 19.791 1.00 16.85 N ATOM 760 CA ASP B 636 -15.329 -1.316 19.251 1.00 16.97 C ATOM 761 C ASP B 636 -16.845 -1.141 19.177 1.00 16.77 C ATOM 762 O ASP B 636 -17.326 -0.094 19.480 1.00 16.17 O ATOM 763 CB ASP B 636 -14.725 -1.160 17.870 1.00 18.51 C ATOM 764 CG ASP B 636 -13.202 -1.065 17.918 1.00 22.83 C ATOM 765 OD1 ASP B 636 -12.652 -0.824 19.024 1.00 23.36 O ATOM 766 OD2 ASP B 636 -12.595 -1.232 16.841 1.00 23.67 O ATOM 767 H ASP B 636 -14.574 -3.344 19.164 1.00 0.00 H ATOM 768 N ASN B 637 -17.567 -2.198 18.884 1.00 16.65 N ATOM 769 CA ASN B 637 -18.991 -2.123 18.817 1.00 15.72 C ATOM 770 C ASN B 637 -19.543 -1.756 20.218 1.00 17.91 C ATOM 771 O ASN B 637 -20.429 -0.897 20.400 1.00 14.58 O ATOM 772 CB ASN B 637 -19.630 -3.475 18.403 1.00 16.59 C ATOM 773 CG ASN B 637 -19.518 -3.801 16.913 1.00 17.09 C ATOM 774 OD1 ASN B 637 -19.181 -2.963 16.105 1.00 17.52 O ATOM 775 ND2 ASN B 637 -19.862 -5.013 16.563 1.00 16.53 N ATOM 776 HD22 ASN B 637 -20.145 -5.703 17.288 1.00 0.00 H ATOM 777 HD21 ASN B 637 -19.853 -5.287 15.560 1.00 0.00 H ATOM 778 H ASN B 637 -17.093 -3.105 18.698 1.00 0.00 H ATOM 779 N CYS B 638 -19.006 -2.439 21.207 1.00 14.31 N ATOM 780 CA CYS B 638 -19.418 -2.180 22.594 1.00 15.20 C ATOM 781 C CYS B 638 -19.116 -0.767 23.099 1.00 16.08 C ATOM 782 O CYS B 638 -19.958 -0.143 23.802 1.00 16.19 O ATOM 783 CB CYS B 638 -18.839 -3.266 23.433 1.00 14.62 C ATOM 784 SG CYS B 638 -19.427 -3.315 25.128 1.00 16.96 S ATOM 785 H CYS B 638 -18.288 -3.164 21.006 1.00 0.00 H ATOM 786 N MET B 639 -17.966 -0.206 22.754 1.00 14.58 N ATOM 787 CA MET B 639 -17.601 1.108 23.221 1.00 15.27 C ATOM 788 C MET B 639 -18.271 2.269 22.443 1.00 16.79 C ATOM 789 O MET B 639 -18.197 3.430 22.852 1.00 18.34 O ATOM 790 CB MET B 639 -16.095 1.238 23.257 1.00 17.44 C ATOM 791 CG MET B 639 -15.489 0.228 24.256 1.00 20.06 C ATOM 792 SD MET B 639 -13.630 0.257 24.246 1.00 23.64 S ATOM 793 CE MET B 639 -13.337 1.839 24.949 1.00 26.76 C ATOM 794 H MET B 639 -17.313 -0.725 22.133 1.00 0.00 H ATOM 795 N LYS B 640 -18.904 1.906 21.344 1.00 16.24 N ATOM 796 CA LYS B 640 -19.820 2.796 20.588 1.00 17.05 C ATOM 797 C LYS B 640 -21.230 2.799 21.138 1.00 17.83 C ATOM 798 O LYS B 640 -21.756 3.847 21.468 1.00 18.07 O ATOM 799 CB LYS B 640 -19.765 2.439 19.079 1.00 17.44 C ATOM 800 CG LYS B 640 -18.512 2.963 18.437 1.00 19.71 C ATOM 801 CD LYS B 640 -18.039 2.329 17.111 1.00 22.13 C ATOM 802 CE LYS B 640 -19.048 2.439 16.024 1.00 23.83 C ATOM 803 NZ LYS B 640 -18.629 1.709 14.833 1.00 24.62 N ATOM 804 HZ1 LYS B 640 -17.728 2.098 14.488 1.00 0.00 H ATOM 805 HZ2 LYS B 640 -18.506 0.704 15.069 1.00 0.00 H ATOM 806 HZ3 LYS B 640 -19.355 1.806 14.095 1.00 0.00 H ATOM 807 H LYS B 640 -18.752 0.941 20.987 1.00 0.00 H ATOM 808 N TYR B 641 -21.822 1.624 21.259 1.00 17.40 N ATOM 809 CA TYR B 641 -23.213 1.495 21.671 1.00 17.69 C ATOM 810 C TYR B 641 -23.434 1.947 23.106 1.00 18.17 C ATOM 811 O TYR B 641 -24.435 2.673 23.401 1.00 19.50 O ATOM 812 CB TYR B 641 -23.712 0.052 21.471 1.00 17.96 C ATOM 813 CG TYR B 641 -25.190 -0.070 21.707 1.00 17.99 C ATOM 814 CD1 TYR B 641 -26.106 0.249 20.718 1.00 18.81 C ATOM 815 CD2 TYR B 641 -25.679 -0.309 22.979 1.00 20.35 C ATOM 816 CE1 TYR B 641 -27.451 0.243 20.968 1.00 18.98 C ATOM 817 CE2 TYR B 641 -27.035 -0.323 23.245 1.00 20.95 C ATOM 818 CZ TYR B 641 -27.913 -0.027 22.242 1.00 22.07 C ATOM 819 OH TYR B 641 -29.272 -0.003 22.518 1.00 24.62 O ATOM 820 HH TYR B 641 -29.771 0.226 21.694 1.00 0.00 H ATOM 821 H TYR B 641 -21.277 0.763 21.053 1.00 0.00 H ATOM 822 N ASN B 642 -22.517 1.577 23.988 1.00 17.54 N ATOM 823 CA ASN B 642 -22.714 1.816 25.455 1.00 19.41 C ATOM 824 C ASN B 642 -21.977 3.045 25.947 1.00 19.66 C ATOM 825 O ASN B 642 -20.864 3.347 25.520 1.00 16.99 O ATOM 826 CB ASN B 642 -22.297 0.600 26.258 1.00 18.08 C ATOM 827 CG ASN B 642 -23.017 -0.603 25.846 1.00 17.59 C ATOM 828 OD1 ASN B 642 -24.154 -0.798 26.237 1.00 18.37 O ATOM 829 ND2 ASN B 642 -22.406 -1.412 24.984 1.00 18.70 N ATOM 830 HD22 ASN B 642 -21.434 -1.206 24.677 1.00 0.00 H ATOM 831 HD21 ASN B 642 -22.901 -2.250 24.617 1.00 0.00 H ATOM 832 H ASN B 642 -21.647 1.113 23.657 1.00 0.00 H ATOM 833 N ALA B 643 -22.570 3.724 26.912 1.00 20.35 N ATOM 834 CA ALA B 643 -21.894 4.834 27.573 1.00 20.86 C ATOM 835 C ALA B 643 -20.761 4.331 28.473 1.00 22.44 C ATOM 836 O ALA B 643 -20.703 3.162 28.881 1.00 19.78 O ATOM 837 CB ALA B 643 -22.905 5.644 28.416 1.00 24.12 C ATOM 838 H ALA B 643 -23.533 3.463 27.205 1.00 0.00 H ATOM 839 N ARG B 644 -19.857 5.230 28.803 1.00 22.04 N ATOM 840 CA ARG B 644 -18.664 4.868 29.525 1.00 21.78 C ATOM 841 C ARG B 644 -18.895 4.293 30.917 1.00 25.95 C ATOM 842 O ARG B 644 -18.128 3.456 31.352 1.00 24.70 O ATOM 843 CB ARG B 644 -17.696 6.068 29.666 1.00 23.54 C ATOM 844 CG ARG B 644 -16.965 6.364 28.376 1.00 23.71 C ATOM 845 CD ARG B 644 -15.948 7.482 28.489 1.00 24.84 C ATOM 846 NE ARG B 644 -16.611 8.769 28.725 1.00 24.86 N ATOM 847 CZ ARG B 644 -17.096 9.555 27.786 1.00 26.79 C ATOM 848 NH1 ARG B 644 -16.967 9.236 26.459 1.00 23.16 N ATOM 849 NH2 ARG B 644 -17.681 10.708 28.147 1.00 27.65 N ATOM 850 HE ARG B 644 -16.706 9.086 29.711 1.00 0.00 H ATOM 851 HH12 ARG B 644 -17.357 9.869 25.732 1.00 0.00 H ATOM 852 HH11 ARG B 644 -16.480 8.361 26.180 1.00 0.00 H ATOM 853 HH22 ARG B 644 -18.070 11.343 27.421 1.00 0.00 H ATOM 854 HH21 ARG B 644 -17.745 10.966 29.152 1.00 0.00 H ATOM 855 H ARG B 644 -20.008 6.224 28.536 1.00 0.00 H ATOM 856 N ASP B 645 -19.919 4.730 31.620 1.00 27.07 N ATOM 857 CA ASP B 645 -20.043 4.211 33.034 1.00 30.71 C ATOM 858 C ASP B 645 -20.691 2.800 33.223 1.00 31.78 C ATOM 859 O ASP B 645 -20.701 2.233 34.383 1.00 37.68 O ATOM 860 CB ASP B 645 -20.699 5.279 33.906 1.00 37.13 C ATOM 861 CG ASP B 645 -22.058 5.673 33.429 1.00 46.59 C ATOM 862 OD1 ASP B 645 -22.355 5.522 32.226 1.00 50.87 O ATOM 863 OD2 ASP B 645 -22.840 6.154 34.280 1.00 55.44 O ATOM 864 H ASP B 645 -20.608 5.399 31.222 1.00 0.00 H ATOM 865 N THR B 646 -21.012 2.141 32.114 1.00 20.69 N ATOM 866 CA THR B 646 -21.868 0.971 32.101 1.00 18.58 C ATOM 867 C THR B 646 -21.048 -0.297 32.341 1.00 19.22 C ATOM 868 O THR B 646 -19.876 -0.342 32.021 1.00 19.03 O ATOM 869 CB THR B 646 -22.595 0.835 30.725 1.00 19.80 C ATOM 870 OG1 THR B 646 -21.631 0.734 29.654 1.00 19.55 O ATOM 871 CG2 THR B 646 -23.549 2.080 30.485 1.00 21.94 C ATOM 872 HG1 THR B 646 -21.066 1.547 29.642 1.00 0.00 H ATOM 873 H THR B 646 -20.629 2.482 31.209 1.00 0.00 H ATOM 874 N VAL B 647 -21.730 -1.347 32.794 1.00 17.87 N ATOM 875 CA VAL B 647 -21.033 -2.634 33.008 1.00 18.56 C ATOM 876 C VAL B 647 -20.485 -3.127 31.645 1.00 17.93 C ATOM 877 O VAL B 647 -19.436 -3.684 31.591 1.00 17.69 O ATOM 878 CB VAL B 647 -21.976 -3.647 33.665 1.00 20.62 C ATOM 879 CG1 VAL B 647 -23.188 -3.976 32.798 1.00 20.20 C ATOM 880 CG2 VAL B 647 -21.225 -4.932 34.041 1.00 22.96 C ATOM 881 H VAL B 647 -22.747 -1.263 32.996 1.00 0.00 H ATOM 882 N PHE B 648 -21.214 -2.868 30.568 1.00 16.60 N ATOM 883 CA PHE B 648 -20.794 -3.259 29.207 1.00 16.42 C ATOM 884 C PHE B 648 -19.540 -2.569 28.717 1.00 14.84 C ATOM 885 O PHE B 648 -18.617 -3.236 28.259 1.00 16.87 O ATOM 886 CB PHE B 648 -21.926 -3.011 28.244 1.00 16.27 C ATOM 887 CG PHE B 648 -23.192 -3.737 28.607 1.00 16.73 C ATOM 888 CD1 PHE B 648 -23.316 -5.088 28.406 1.00 19.12 C ATOM 889 CD2 PHE B 648 -24.269 -3.039 29.160 1.00 17.31 C ATOM 890 CE1 PHE B 648 -24.476 -5.756 28.798 1.00 17.46 C ATOM 891 CE2 PHE B 648 -25.428 -3.685 29.576 1.00 19.35 C ATOM 892 CZ PHE B 648 -25.550 -5.044 29.376 1.00 17.97 C ATOM 893 H PHE B 648 -22.119 -2.369 30.687 1.00 0.00 H ATOM 894 N TYR B 649 -19.459 -1.239 28.804 1.00 14.67 N ATOM 895 CA TYR B 649 -18.273 -0.554 28.372 1.00 15.38 C ATOM 896 C TYR B 649 -17.075 -0.959 29.198 1.00 17.58 C ATOM 897 O TYR B 649 -15.993 -1.226 28.672 1.00 15.29 O ATOM 898 CB TYR B 649 -18.518 0.939 28.451 1.00 17.56 C ATOM 899 CG TYR B 649 -17.526 1.805 27.789 1.00 16.15 C ATOM 900 CD1 TYR B 649 -16.274 2.016 28.356 1.00 18.98 C ATOM 901 CD2 TYR B 649 -17.848 2.502 26.617 1.00 19.70 C ATOM 902 CE1 TYR B 649 -15.359 2.905 27.784 1.00 18.07 C ATOM 903 CE2 TYR B 649 -16.926 3.386 26.008 1.00 19.83 C ATOM 904 CZ TYR B 649 -15.695 3.546 26.566 1.00 20.98 C ATOM 905 OH TYR B 649 -14.819 4.409 25.964 1.00 20.04 O ATOM 906 HH TYR B 649 -13.971 4.425 26.474 1.00 0.00 H ATOM 907 H TYR B 649 -20.259 -0.696 29.187 1.00 0.00 H ATOM 908 N ARG B 650 -17.293 -1.097 30.513 1.00 15.97 N ATOM 909 CA ARG B 650 -16.156 -1.434 31.348 1.00 18.20 C ATOM 910 C ARG B 650 -15.711 -2.842 31.092 1.00 16.72 C ATOM 911 O ARG B 650 -14.527 -3.144 31.145 1.00 17.44 O ATOM 912 CB ARG B 650 -16.583 -1.258 32.839 1.00 22.54 C ATOM 913 CG ARG B 650 -16.715 0.197 33.208 1.00 27.37 C ATOM 914 CD ARG B 650 -17.284 0.276 34.592 1.00 36.44 C ATOM 915 NE ARG B 650 -17.936 1.539 34.974 1.00 43.94 N ATOM 916 CZ ARG B 650 -17.319 2.649 35.366 1.00 50.49 C ATOM 917 NH1 ARG B 650 -18.063 3.708 35.732 1.00 50.39 N ATOM 918 NH2 ARG B 650 -15.978 2.714 35.393 1.00 56.89 N ATOM 919 HE ARG B 650 -18.975 1.565 34.933 1.00 0.00 H ATOM 920 HH12 ARG B 650 -17.600 4.586 36.042 1.00 0.00 H ATOM 921 HH11 ARG B 650 -19.101 3.649 35.705 1.00 0.00 H ATOM 922 HH22 ARG B 650 -15.506 3.588 35.702 1.00 0.00 H ATOM 923 HH21 ARG B 650 -15.412 1.891 35.105 1.00 0.00 H ATOM 924 H ARG B 650 -18.241 -0.967 30.919 1.00 0.00 H ATOM 925 N ALA B 651 -16.641 -3.713 30.749 1.00 16.76 N ATOM 926 CA ALA B 651 -16.257 -5.104 30.410 1.00 16.96 C ATOM 927 C ALA B 651 -15.434 -5.150 29.121 1.00 17.71 C ATOM 928 O ALA B 651 -14.501 -5.922 28.977 1.00 17.87 O ATOM 929 CB ALA B 651 -17.498 -5.942 30.230 1.00 18.39 C ATOM 930 H ALA B 651 -17.640 -3.425 30.717 1.00 0.00 H ATOM 931 N ALA B 652 -15.800 -4.286 28.175 1.00 16.94 N ATOM 932 CA ALA B 652 -15.055 -4.169 26.911 1.00 15.85 C ATOM 933 C ALA B 652 -13.630 -3.624 27.162 1.00 15.31 C ATOM 934 O ALA B 652 -12.642 -4.091 26.575 1.00 17.55 O ATOM 935 CB ALA B 652 -15.821 -3.286 25.955 1.00 15.78 C ATOM 936 H ALA B 652 -16.631 -3.681 28.333 1.00 0.00 H ATOM 937 N VAL B 653 -13.498 -2.633 28.033 1.00 17.34 N ATOM 938 CA VAL B 653 -12.164 -2.108 28.327 1.00 19.43 C ATOM 939 C VAL B 653 -11.277 -3.197 28.930 1.00 19.55 C ATOM 940 O VAL B 653 -10.098 -3.379 28.542 1.00 19.24 O ATOM 941 CB VAL B 653 -12.260 -0.923 29.276 1.00 20.30 C ATOM 942 CG1 VAL B 653 -10.905 -0.555 29.871 1.00 24.48 C ATOM 943 CG2 VAL B 653 -12.845 0.314 28.545 1.00 22.59 C ATOM 944 H VAL B 653 -14.335 -2.232 28.503 1.00 0.00 H ATOM 945 N ARG B 654 -11.829 -3.933 29.895 1.00 20.12 N ATOM 946 CA ARG B 654 -11.026 -4.991 30.547 1.00 20.56 C ATOM 947 C ARG B 654 -10.683 -6.089 29.582 1.00 23.35 C ATOM 948 O ARG B 654 -9.538 -6.566 29.575 1.00 21.31 O ATOM 949 CB ARG B 654 -11.747 -5.520 31.806 1.00 21.49 C ATOM 950 CG ARG B 654 -11.847 -4.500 32.940 1.00 20.83 C ATOM 951 CD ARG B 654 -12.855 -4.938 33.998 1.00 22.15 C ATOM 952 NE ARG B 654 -12.507 -6.219 34.594 1.00 23.58 N ATOM 953 CZ ARG B 654 -11.652 -6.381 35.632 1.00 24.05 C ATOM 954 NH1 ARG B 654 -11.039 -5.345 36.201 1.00 24.29 N ATOM 955 NH2 ARG B 654 -11.423 -7.599 36.106 1.00 25.99 N ATOM 956 HE ARG B 654 -12.947 -7.072 34.194 1.00 0.00 H ATOM 957 HH12 ARG B 654 -10.387 -5.499 36.997 1.00 0.00 H ATOM 958 HH11 ARG B 654 -11.212 -4.382 35.850 1.00 0.00 H ATOM 959 HH22 ARG B 654 -10.768 -7.732 36.903 1.00 0.00 H ATOM 960 HH21 ARG B 654 -11.899 -8.420 35.681 1.00 0.00 H ATOM 961 H ARG B 654 -12.813 -3.765 30.186 1.00 0.00 H ATOM 962 N LEU B 655 -11.627 -6.462 28.703 1.00 19.83 N ATOM 963 CA LEU B 655 -11.364 -7.489 27.724 1.00 20.47 C ATOM 964 C LEU B 655 -10.255 -7.028 26.721 1.00 20.90 C ATOM 965 O LEU B 655 -9.340 -7.792 26.360 1.00 22.52 O ATOM 966 CB LEU B 655 -12.637 -7.871 26.986 1.00 21.48 C ATOM 967 CG LEU B 655 -12.542 -8.865 25.816 1.00 21.87 C ATOM 968 CD1 LEU B 655 -11.924 -10.190 26.280 1.00 25.91 C ATOM 969 CD2 LEU B 655 -13.934 -9.120 25.238 1.00 22.14 C ATOM 970 H LEU B 655 -12.561 -6.004 28.728 1.00 0.00 H ATOM 971 N ARG B 656 -10.341 -5.780 26.281 1.00 21.33 N ATOM 972 CA ARG B 656 -9.325 -5.194 25.391 1.00 23.29 C ATOM 973 C ARG B 656 -7.941 -5.208 26.085 1.00 23.32 C ATOM 974 O ARG B 656 -6.948 -5.620 25.474 1.00 25.08 O ATOM 975 CB ARG B 656 -9.662 -3.750 25.031 1.00 24.45 C ATOM 976 CG ARG B 656 -8.654 -2.961 24.171 1.00 23.58 C ATOM 977 CD ARG B 656 -9.024 -1.481 24.142 1.00 27.57 C ATOM 978 NE ARG B 656 -8.753 -0.926 25.441 1.00 30.45 N ATOM 979 CZ ARG B 656 -9.073 0.283 25.884 1.00 32.95 C ATOM 980 NH1 ARG B 656 -8.753 0.584 27.126 1.00 34.53 N ATOM 981 NH2 ARG B 656 -9.729 1.165 25.141 1.00 35.16 N ATOM 982 HE ARG B 656 -8.249 -1.543 26.109 1.00 0.00 H ATOM 983 HH12 ARG B 656 -8.987 1.522 27.511 1.00 0.00 H ATOM 984 HH11 ARG B 656 -8.267 -0.116 27.722 1.00 0.00 H ATOM 985 HH22 ARG B 656 -9.960 2.102 25.528 1.00 0.00 H ATOM 986 HH21 ARG B 656 -10.013 0.919 24.171 1.00 0.00 H ATOM 987 H ARG B 656 -11.151 -5.197 26.574 1.00 0.00 H ATOM 988 N ASP B 657 -7.897 -4.734 27.308 1.00 21.46 N ATOM 989 CA ASP B 657 -6.631 -4.619 28.039 1.00 26.32 C ATOM 990 C ASP B 657 -6.052 -5.993 28.285 1.00 25.35 C ATOM 991 O ASP B 657 -4.913 -6.244 27.907 1.00 28.84 O ATOM 992 CB ASP B 657 -6.823 -3.858 29.352 1.00 25.69 C ATOM 993 CG ASP B 657 -7.077 -2.370 29.132 1.00 30.38 C ATOM 994 OD1 ASP B 657 -7.044 -1.910 27.962 1.00 31.34 O ATOM 995 OD2 ASP B 657 -7.295 -1.646 30.121 1.00 33.71 O ATOM 996 H ASP B 657 -8.779 -4.433 27.769 1.00 0.00 H ATOM 997 N GLN B 658 -6.841 -6.900 28.826 1.00 25.69 N ATOM 998 CA GLN B 658 -6.352 -8.232 29.205 1.00 26.23 C ATOM 999 C GLN B 658 -6.115 -9.068 27.971 1.00 29.52 C ATOM 1000 O GLN B 658 -5.173 -9.848 27.908 1.00 30.01 O ATOM 1001 CB GLN B 658 -7.313 -8.928 30.184 1.00 26.97 C ATOM 1002 CG GLN B 658 -7.465 -8.191 31.520 1.00 29.33 C ATOM 1003 CD GLN B 658 -8.585 -8.746 32.428 1.00 37.16 C ATOM 1004 OE1 GLN B 658 -9.082 -9.862 32.241 1.00 41.74 O ATOM 1005 NE2 GLN B 658 -9.027 -7.926 33.390 1.00 40.26 N ATOM 1006 HE22 GLN B 658 -8.587 -6.993 33.521 1.00 0.00 H ATOM 1007 HE21 GLN B 658 -9.811 -8.222 34.006 1.00 0.00 H ATOM 1008 H GLN B 658 -7.841 -6.665 28.990 1.00 0.00 H ATOM 1009 N GLY B 659 -6.972 -8.906 26.964 1.00 27.10 N ATOM 1010 CA GLY B 659 -6.829 -9.630 25.738 1.00 27.99 C ATOM 1011 C GLY B 659 -5.614 -9.216 24.975 1.00 28.87 C ATOM 1012 O GLY B 659 -4.995 -10.060 24.341 1.00 33.63 O ATOM 1013 H GLY B 659 -7.762 -8.239 27.071 1.00 0.00 H ATOM 1014 N GLY B 660 -5.248 -7.932 24.992 1.00 31.77 N ATOM 1015 CA GLY B 660 -4.081 -7.492 24.242 1.00 32.05 C ATOM 1016 C GLY B 660 -2.810 -8.261 24.626 1.00 34.58 C ATOM 1017 O GLY B 660 -1.924 -8.504 23.779 1.00 37.06 O ATOM 1018 H GLY B 660 -5.799 -7.244 25.543 1.00 0.00 H ATOM 1019 N VAL B 661 -2.729 -8.666 25.894 1.00 32.52 N ATOM 1020 CA VAL B 661 -1.557 -9.362 26.405 1.00 33.12 C ATOM 1021 C VAL B 661 -1.475 -10.714 25.730 1.00 33.23 C ATOM 1022 O VAL B 661 -0.435 -11.138 25.200 1.00 39.06 O ATOM 1023 CB VAL B 661 -1.610 -9.480 27.969 1.00 39.91 C ATOM 1024 CG1 VAL B 661 -0.453 -10.334 28.509 1.00 41.69 C ATOM 1025 CG2 VAL B 661 -1.661 -8.082 28.660 1.00 37.87 C ATOM 1026 H VAL B 661 -3.526 -8.479 26.536 1.00 0.00 H ATOM 1027 N VAL B 662 -2.611 -11.380 25.696 1.00 32.20 N ATOM 1028 CA VAL B 662 -2.753 -12.666 25.063 1.00 31.18 C ATOM 1029 C VAL B 662 -2.404 -12.589 23.567 1.00 33.01 C ATOM 1030 O VAL B 662 -1.694 -13.437 23.058 1.00 30.40 O ATOM 1031 CB VAL B 662 -4.173 -13.229 25.259 1.00 28.99 C ATOM 1032 CG1 VAL B 662 -4.356 -14.542 24.505 1.00 32.35 C ATOM 1033 CG2 VAL B 662 -4.438 -13.461 26.753 1.00 32.02 C ATOM 1034 H VAL B 662 -3.446 -10.957 26.148 1.00 0.00 H ATOM 1035 N LEU B 663 -2.899 -11.578 22.871 1.00 27.45 N ATOM 1036 CA LEU B 663 -2.682 -11.458 21.419 1.00 30.74 C ATOM 1037 C LEU B 663 -1.262 -11.091 21.012 1.00 35.31 C ATOM 1038 O LEU B 663 -0.781 -11.515 19.955 1.00 37.72 O ATOM 1039 CB LEU B 663 -3.679 -10.443 20.809 1.00 32.71 C ATOM 1040 CG LEU B 663 -5.127 -10.959 20.759 1.00 32.29 C ATOM 1041 CD1 LEU B 663 -6.068 -9.789 20.592 1.00 34.92 C ATOM 1042 CD2 LEU B 663 -5.357 -11.961 19.645 1.00 34.10 C ATOM 1043 H LEU B 663 -3.456 -10.849 23.362 1.00 0.00 H ATOM 1044 N ARG B 664 -0.602 -10.305 21.841 1.00 38.88 N ATOM 1045 CA ARG B 664 0.784 -9.983 21.616 1.00 41.97 C ATOM 1046 C ARG B 664 1.639 -11.241 21.715 1.00 41.20 C ATOM 1047 O ARG B 664 2.510 -11.407 20.876 1.00 40.85 O ATOM 1048 CB ARG B 664 1.279 -8.829 22.503 1.00 45.28 C ATOM 1049 CG ARG B 664 0.831 -7.460 21.931 1.00 50.89 C ATOM 1050 CD ARG B 664 1.376 -6.242 22.683 1.00 50.25 C ATOM 1051 NE ARG B 664 0.996 -6.282 24.107 1.00 50.10 N ATOM 1052 CZ ARG B 664 -0.156 -5.828 24.619 1.00 52.07 C ATOM 1053 NH1 ARG B 664 -0.367 -5.939 25.930 1.00 47.39 N ATOM 1054 NH2 ARG B 664 -1.104 -5.255 23.845 1.00 52.82 N ATOM 1055 HE ARG B 664 1.680 -6.698 24.771 1.00 0.00 H ATOM 1056 HH12 ARG B 664 -1.255 -5.592 26.345 1.00 0.00 H ATOM 1057 HH11 ARG B 664 0.357 -6.373 26.538 1.00 0.00 H ATOM 1058 HH22 ARG B 664 -1.988 -4.913 24.273 1.00 0.00 H ATOM 1059 HH21 ARG B 664 -0.950 -5.156 22.821 1.00 0.00 H ATOM 1060 H ARG B 664 -1.090 -9.911 22.671 1.00 0.00 H ATOM 1061 N GLN B 665 1.361 -12.163 22.636 1.00 39.42 N ATOM 1062 CA GLN B 665 2.088 -13.427 22.622 1.00 42.40 C ATOM 1063 C GLN B 665 1.685 -14.256 21.415 1.00 39.91 C ATOM 1064 O GLN B 665 2.554 -14.871 20.784 1.00 35.59 O ATOM 1065 CB GLN B 665 1.950 -14.272 23.923 1.00 49.72 C ATOM 1066 CG GLN B 665 2.939 -15.491 24.029 1.00 50.83 C ATOM 1067 CD GLN B 665 4.466 -15.142 23.855 1.00 52.53 C ATOM 1068 OE1 GLN B 665 4.943 -14.088 24.290 1.00 54.19 O ATOM 1069 NE2 GLN B 665 5.227 -16.050 23.218 1.00 50.65 N ATOM 1070 HE22 GLN B 665 4.800 -16.929 22.862 1.00 0.00 H ATOM 1071 HE21 GLN B 665 6.243 -15.873 23.082 1.00 0.00 H ATOM 1072 H GLN B 665 0.633 -11.983 23.357 1.00 0.00 H ATOM 1073 N ALA B 666 0.390 -14.311 21.086 1.00 32.24 N ATOM 1074 CA ALA B 666 -0.035 -15.015 19.876 1.00 33.82 C ATOM 1075 C ALA B 666 0.657 -14.559 18.558 1.00 35.48 C ATOM 1076 O ALA B 666 0.980 -15.401 17.701 1.00 38.18 O ATOM 1077 CB ALA B 666 -1.542 -14.893 19.677 1.00 38.36 C ATOM 1078 H ALA B 666 -0.318 -13.851 21.693 1.00 0.00 H ATOM 1079 N ARG B 667 0.807 -13.248 18.357 1.00 31.71 N ATOM 1080 CA ARG B 667 1.498 -12.734 17.180 1.00 35.38 C ATOM 1081 C ARG B 667 2.925 -13.329 17.056 1.00 38.16 C ATOM 1082 O ARG B 667 3.364 -13.662 15.936 1.00 37.05 O ATOM 1083 CB ARG B 667 1.551 -11.205 17.178 1.00 38.14 C ATOM 1084 CG ARG B 667 2.410 -10.565 16.065 1.00 48.50 C ATOM 1085 CD ARG B 667 2.156 -11.070 14.629 1.00 52.40 C ATOM 1086 NE ARG B 667 0.918 -10.552 14.017 1.00 57.29 N ATOM 1087 CZ ARG B 667 0.344 -11.049 12.916 1.00 56.98 C ATOM 1088 NH1 ARG B 667 0.866 -12.093 12.273 1.00 66.77 N ATOM 1089 NH2 ARG B 667 -0.766 -10.510 12.453 1.00 58.14 N ATOM 1090 HE ARG B 667 0.457 -9.740 14.476 1.00 0.00 H ATOM 1091 HH12 ARG B 667 0.402 -12.462 11.419 1.00 0.00 H ATOM 1092 HH11 ARG B 667 1.737 -12.538 12.626 1.00 0.00 H ATOM 1093 HH22 ARG B 667 -1.213 -10.895 11.597 1.00 0.00 H ATOM 1094 HH21 ARG B 667 -1.194 -9.699 12.944 1.00 0.00 H ATOM 1095 H ARG B 667 0.423 -12.579 19.054 1.00 0.00 H ATOM 1096 N ARG B 668 3.615 -13.471 18.184 1.00 38.62 N ATOM 1097 CA ARG B 668 4.958 -14.120 18.213 1.00 39.39 C ATOM 1098 C ARG B 668 4.956 -15.590 17.780 1.00 41.86 C ATOM 1099 O ARG B 668 5.810 -16.048 16.981 1.00 42.98 O ATOM 1100 CB ARG B 668 5.550 -13.985 19.620 1.00 36.21 C ATOM 1101 CG ARG B 668 5.816 -12.537 20.051 1.00 35.25 C ATOM 1102 CD ARG B 668 6.698 -12.512 21.301 1.00 38.44 C ATOM 1103 NE ARG B 668 7.944 -13.250 21.018 1.00 38.23 N ATOM 1104 CZ ARG B 668 9.020 -12.719 20.441 1.00 38.56 C ATOM 1105 NH1 ARG B 668 9.053 -11.434 20.112 1.00 38.94 N ATOM 1106 NH2 ARG B 668 10.074 -13.491 20.189 1.00 42.93 N ATOM 1107 HE ARG B 668 7.984 -14.254 21.288 1.00 0.00 H ATOM 1108 HH12 ARG B 668 9.901 -11.034 19.662 1.00 0.00 H ATOM 1109 HH11 ARG B 668 8.231 -10.827 20.304 1.00 0.00 H ATOM 1110 HH22 ARG B 668 10.919 -13.086 19.739 1.00 0.00 H ATOM 1111 HH21 ARG B 668 10.052 -14.499 20.442 1.00 0.00 H ATOM 1112 H ARG B 668 3.206 -13.119 19.073 1.00 0.00 H ATOM 1113 N GLU B 669 4.005 -16.351 18.290 1.00 41.32 N ATOM 1114 CA GLU B 669 3.905 -17.747 17.918 1.00 47.88 C ATOM 1115 C GLU B 669 3.533 -17.975 16.434 1.00 52.16 C ATOM 1116 O GLU B 669 3.904 -18.987 15.844 1.00 57.83 O ATOM 1117 CB GLU B 669 2.922 -18.474 18.826 1.00 52.09 C ATOM 1118 CG GLU B 669 3.280 -18.385 20.312 1.00 56.69 C ATOM 1119 CD GLU B 669 2.434 -19.287 21.179 1.00 55.81 C ATOM 1120 OE1 GLU B 669 1.871 -20.274 20.648 1.00 67.00 O ATOM 1121 OE2 GLU B 669 2.353 -19.029 22.400 1.00 54.13 O ATOM 1122 H GLU B 669 3.324 -15.945 18.963 1.00 0.00 H ATOM 1123 N VAL B 670 2.796 -17.050 15.830 1.00 50.82 N ATOM 1124 CA VAL B 670 2.416 -17.185 14.425 1.00 55.22 C ATOM 1125 C VAL B 670 3.623 -16.914 13.542 1.00 57.81 C ATOM 1126 O VAL B 670 3.886 -17.686 12.632 1.00 63.64 O ATOM 1127 CB VAL B 670 1.233 -16.242 14.084 1.00 57.87 C ATOM 1128 CG1 VAL B 670 1.093 -15.999 12.580 1.00 57.99 C ATOM 1129 CG2 VAL B 670 -0.036 -16.830 14.685 1.00 56.03 C ATOM 1130 H VAL B 670 2.484 -16.215 16.366 1.00 0.00 H ATOM 1131 N ASP B 671 4.358 -15.837 13.837 1.00 58.41 N ATOM 1132 CA ASP B 671 5.551 -15.476 13.067 1.00 63.77 C ATOM 1133 C ASP B 671 6.654 -16.574 13.075 1.00 70.86 C ATOM 1134 O ASP B 671 7.439 -16.620 12.135 1.00 60.03 O ATOM 1135 CB ASP B 671 6.118 -14.114 13.504 1.00 58.76 C ATOM 1136 CG ASP B 671 5.184 -12.924 13.165 1.00 61.06 C ATOM 1137 OD1 ASP B 671 4.146 -13.093 12.466 1.00 61.62 O ATOM 1138 OD2 ASP B 671 5.500 -11.789 13.607 1.00 59.11 O ATOM 1139 H ASP B 671 4.074 -15.237 14.638 1.00 0.00 H ATOM 1140 N SER B 672 6.688 -17.455 14.090 1.00 73.27 N ATOM 1141 CA SER B 672 7.549 -18.664 14.081 1.00 76.78 C ATOM 1142 C SER B 672 7.359 -19.563 12.839 1.00 77.37 C ATOM 1143 O SER B 672 6.411 -20.351 12.744 1.00 77.08 O ATOM 1144 CB SER B 672 7.316 -19.500 15.346 1.00 77.63 C ATOM 1145 OG SER B 672 7.641 -18.761 16.505 1.00 74.88 O ATOM 1146 HG SER B 672 7.073 -17.951 16.549 1.00 0.00 H ATOM 1147 H SER B 672 6.084 -17.282 14.919 1.00 0.00 H TER 1148 SER B 672 HETATM 1149 O HOH 1 -10.338 1.248 22.726 1.00 38.26 O HETATM 1150 O HOH 2 -34.522 -10.752 29.863 1.00 23.94 O HETATM 1151 O HOH 3 -16.406 -16.812 29.934 1.00 48.27 O HETATM 1152 O HOH 4 -21.687 -18.994 27.332 1.00 52.29 O HETATM 1153 O HOH 5 -22.657 -10.884 16.981 1.00 21.98 O HETATM 1154 O HOH 6 -32.219 -12.395 27.259 1.00 32.74 O HETATM 1155 O HOH 7 -1.077 -9.037 18.206 1.00 43.63 O HETATM 1156 O HOH 8 -7.533 -23.879 25.165 1.00 45.76 O HETATM 1157 O HOH 9 -36.302 -7.591 18.633 1.00 49.08 O HETATM 1158 O HOH 10 -21.779 -4.094 21.427 1.00 17.69 O HETATM 1159 O HOH 11 -16.271 -13.221 10.952 1.00 40.22 O HETATM 1160 O HOH 12 -12.611 5.126 27.147 1.00 26.80 O HETATM 1161 O HOH 13 -17.797 -23.939 12.001 1.00 39.56 O HETATM 1162 O HOH 14 -10.029 -0.852 16.367 1.00 46.63 O HETATM 1163 O HOH 15 -5.296 -1.208 26.102 1.00 47.73 O HETATM 1164 O HOH 16 -24.587 -11.239 24.181 1.00 21.48 O HETATM 1165 O HOH 17 -25.856 0.444 27.864 1.00 24.54 O HETATM 1166 O HOH 18 -20.380 -8.619 21.348 1.00 24.78 O HETATM 1167 O HOH 19 -16.972 -9.549 31.207 1.00 23.67 O HETATM 1168 O HOH 20 -16.470 9.199 31.357 1.00 42.02 O HETATM 1169 O HOH 21 -3.006 -4.722 26.806 1.00 44.24 O HETATM 1170 O HOH 22 -4.183 -11.046 30.091 1.00 37.26 O HETATM 1171 O HOH 23 -9.634 -3.496 13.455 1.00 44.49 O HETATM 1172 O HOH 24 -21.562 -6.774 18.563 1.00 16.97 O HETATM 1173 O HOH 25 -19.834 -6.024 21.255 1.00 20.59 O HETATM 1174 O HOH 26 -13.521 -2.543 14.670 1.00 26.67 O HETATM 1175 O HOH 27 -17.621 -0.685 15.578 1.00 20.82 O HETATM 1176 O HOH 28 -4.238 -6.834 16.817 1.00 57.83 O HETATM 1177 O HOH 29 -28.121 -13.629 21.479 1.00 33.25 O HETATM 1178 O HOH 30 -15.431 3.556 31.537 1.00 31.68 O HETATM 1179 O HOH 31 -16.984 -15.097 26.989 1.00 23.21 O HETATM 1180 O HOH 32 -19.284 -18.504 23.429 1.00 28.53 O HETATM 1181 O HOH 33 -23.952 -14.558 14.651 1.00 43.16 O HETATM 1182 O HOH 34 -32.574 -2.189 24.939 1.00 41.90 O HETATM 1183 O HOH 35 -20.196 -8.593 11.512 1.00 33.76 O HETATM 1184 O HOH 36 -13.533 -8.369 11.101 1.00 31.02 O HETATM 1185 O HOH 37 -33.266 -1.178 21.653 1.00 32.10 O HETATM 1186 O HOH 38 -19.949 -21.151 18.059 1.00 35.88 O HETATM 1187 O HOH 39 -22.253 -9.890 23.033 1.00 21.94 O HETATM 1188 O HOH 40 -12.010 -10.551 9.945 1.00 26.91 O HETATM 1189 O HOH 41 -8.635 -2.667 32.298 1.00 28.80 O HETATM 1190 O HOH 42 -10.235 -1.859 19.854 1.00 40.89 O HETATM 1191 O HOH 43 -31.852 -4.182 15.454 1.00 36.21 O HETATM 1192 O HOH 44 -11.699 -10.225 33.061 1.00 46.29 O HETATM 1193 O HOH 45 -9.203 -4.168 20.713 1.00 51.47 O HETATM 1194 O HOH 46 -19.798 5.482 24.092 1.00 21.51 O HETATM 1195 O HOH 47 -19.938 -2.516 13.463 1.00 16.61 O HETATM 1196 O HOH 48 -17.827 -19.935 21.767 1.00 41.89 O HETATM 1197 O HOH 49 -23.040 -13.107 34.006 1.00 24.98 O HETATM 1198 O HOH 50 -1.657 -11.853 10.168 1.00 38.59 O HETATM 1199 O HOH 51 -30.231 -0.605 25.076 1.00 34.99 O HETATM 1200 O HOH 52 -6.183 -6.513 18.514 1.00 43.38 O HETATM 1201 O HOH 53 -23.060 -17.173 16.732 1.00 47.79 O HETATM 1202 O HOH 54 -34.346 -5.459 27.408 1.00 30.68 O HETATM 1203 O HOH 55 -22.250 -11.125 12.769 1.00 44.13 O HETATM 1204 O HOH 56 -26.402 -8.879 17.679 1.00 20.91 O HETATM 1205 O HOH 57 -16.402 -10.650 10.249 1.00 37.62 O HETATM 1206 O HOH 58 -8.846 2.981 28.657 1.00 45.00 O HETATM 1207 O HOH 59 -15.803 6.921 25.055 1.00 23.28 O HETATM 1208 O HOH 60 -13.212 -9.684 35.357 1.00 34.75 O HETATM 1209 O HOH 61 -12.226 -4.565 13.413 1.00 23.65 O HETATM 1210 O HOH 62 -19.320 -17.206 11.983 1.00 33.38 O HETATM 1211 O HOH 63 -13.141 1.097 21.078 1.00 25.57 O HETATM 1212 O HOH 64 -6.475 -5.421 22.661 1.00 48.70 O HETATM 1213 O HOH 65 -14.445 -8.358 30.476 1.00 20.44 O HETATM 1214 O HOH 66 -20.385 7.904 27.914 1.00 22.64 O HETATM 1215 O HOH 67 -13.707 -24.475 19.241 1.00 37.65 O HETATM 1216 O HOH 68 -23.614 -8.944 18.554 1.00 19.80 O HETATM 1217 O HOH 69 -24.415 -0.685 33.624 1.00 29.70 O HETATM 1218 O HOH 70 -26.498 -4.158 11.184 1.00 35.39 O HETATM 1219 O HOH 71 -15.436 2.068 19.857 1.00 19.50 O HETATM 1220 O HOH 72 -2.830 -14.555 4.549 1.00 44.73 O HETATM 1221 O HOH 73 -12.015 -11.422 7.061 1.00 45.30 O HETATM 1222 O HOH 74 -14.394 -7.918 33.153 1.00 33.45 O HETATM 1223 O HOH 75 12.449 -12.203 19.050 1.00 49.46 O HETATM 1224 O HOH 76 -4.764 -16.625 29.362 1.00 36.73 O HETATM 1225 O HOH 77 -25.392 3.067 27.587 1.00 21.61 O HETATM 1226 O HOH 78 -23.551 -17.298 28.083 1.00 33.57 O HETATM 1227 O HOH 79 -10.110 -8.547 8.678 1.00 52.26 O HETATM 1228 O HOH 80 -29.977 -11.854 18.976 1.00 52.23 O HETATM 1229 O HOH 81 -5.657 -29.967 6.746 1.00 51.43 O HETATM 1230 O HOH 82 -21.135 -0.024 12.966 1.00 28.17 O HETATM 1231 O HOH 83 -9.416 -20.773 10.932 1.00 37.33 O HETATM 1232 O HOH 84 -7.907 -5.054 33.339 1.00 36.90 O HETATM 1233 O HOH 85 -13.686 1.379 15.467 1.00 32.08 O HETATM 1234 O HOH 86 -13.851 -27.126 8.566 1.00 50.92 O HETATM 1235 O HOH 87 -5.384 -30.296 4.193 1.00 43.41 O HETATM 1236 O HOH 88 -2.101 -4.910 20.633 1.00 54.47 O HETATM 1237 O HOH 89 -1.572 -31.519 -1.113 1.00 37.35 O HETATM 1238 O HOH 90 -18.574 -19.034 9.980 1.00 48.81 O HETATM 1239 O HOH 91 -0.267 -28.212 19.820 1.00 58.17 O HETATM 1240 O HOH 92 -18.270 -23.372 17.145 1.00 39.87 O HETATM 1241 O HOH 93 -22.191 -17.542 12.333 1.00 50.34 O HETATM 1242 O HOH 94 -29.998 4.645 15.076 1.00 45.69 O HETATM 1243 O HOH 95 -0.878 -31.824 1.722 1.00 27.56 O HETATM 1244 O HOH 96 -2.035 -23.601 21.228 1.00 52.39 O HETATM 1245 O HOH 97 -26.487 -0.387 6.109 1.00 42.93 O HETATM 1246 O HOH 98 -18.756 -24.347 14.437 1.00 46.33 O HETATM 1247 O HOH 99 -6.736 -3.123 21.015 1.00 40.86 O HETATM 1248 O HOH 100 -24.685 -18.208 18.178 1.00 47.82 O HETATM 1249 O HOH 101 -3.315 -9.190 31.614 1.00 44.64 O HETATM 1250 O HOH 102 -30.669 -1.556 6.821 1.00 45.44 O HETATM 1251 O HOH 103 -29.783 -14.397 23.556 1.00 37.61 O HETATM 1252 O HOH 104 -13.385 1.477 32.271 1.00 34.86 O HETATM 1253 O HOH 105 -30.938 5.017 12.570 1.00 31.66 O HETATM 1254 O HOH 106 -13.786 -4.879 11.150 1.00 42.64 O HETATM 1255 O HOH 107 -19.728 -21.510 20.811 1.00 35.88 O HETATM 1256 O HOH 108 -2.295 -12.948 29.791 1.00 42.58 O HETATM 1257 O HOH 109 -15.702 -1.299 13.829 1.00 31.83 O HETATM 1258 O HOH 110 -24.446 -11.602 14.814 1.00 28.72 O HETATM 1259 O HOH 111 -29.138 7.078 16.129 1.00 30.40 O HETATM 1260 O HOH 112 -16.269 -3.940 10.183 1.00 37.55 O HETATM 1261 O HOH 113 -4.760 -6.216 20.943 1.00 49.67 O HETATM 1262 O HOH 114 -12.095 -0.882 12.377 1.00 42.05 O HETATM 1263 O HOH 115 -17.710 -2.183 11.852 1.00 27.24 O HETATM 1264 O HOH 116 -28.690 -12.426 16.382 1.00 38.83 O HETATM 1265 O HOH 117 -18.558 -14.306 10.692 1.00 38.36 O HETATM 1266 O HOH 118 -26.752 -10.300 15.425 1.00 30.00 O HETATM 1267 O HOH 119 -26.389 4.522 29.648 1.00 31.35 O HETATM 1268 O HOH 120 -22.158 -21.018 22.093 1.00 47.48 O HETATM 1269 O HOH 121 -26.180 -0.422 30.761 1.00 27.28 O HETATM 1270 O HOH 122 -20.915 -12.871 11.032 1.00 44.04 O HETATM 1271 O HOH 123 1.201 -32.858 16.514 1.00 55.51 O HETATM 1272 O HOH 124 -24.844 8.744 29.075 1.00 49.22 O HETATM 1273 O HOH 125 -27.546 -9.743 12.692 1.00 39.42 O HETATM 1274 O HOH 126 -0.563 -8.982 32.188 1.00 50.95 O HETATM 1275 O HOH 127 2.497 -12.004 30.810 1.00 39.05 O HETATM 1276 CAK UNN A 128 -28.242 -7.945 26.919 1.00 -0.04 C HETATM 1277 CAJ UNN A 128 -26.945 -7.471 26.299 1.00 -0.04 C HETATM 1278 CAI UNN A 128 -26.759 -6.177 25.824 1.00 -0.06 C HETATM 1279 CAH UNN A 128 -25.512 -5.804 25.319 1.00 0.08 C HETATM 1280 NAF UNN A 128 -25.074 -4.676 24.783 1.00 -0.22 N HETATM 1281 CAG UNN A 128 -25.904 -3.457 24.635 1.00 0.04 C HETATM 1282 H5 UNN A 128 -26.918 -3.656 25.013 1.00 0.05 H HETATM 1283 H6 UNN A 128 -25.957 -3.176 23.573 1.00 0.05 H HETATM 1284 H7 UNN A 128 -25.453 -2.634 25.210 1.00 0.05 H HETATM 1285 CAD UNN A 128 -23.795 -4.802 24.431 1.00 0.31 C HETATM 1286 OAE UNN A 128 -23.089 -3.940 23.899 1.00 -0.40 O HETATM 1287 NAB UNN A 128 -23.414 -6.077 24.735 1.00 -0.22 N HETATM 1288 CAC UNN A 128 -22.088 -6.654 24.475 1.00 0.04 C HETATM 1289 H8 UNN A 128 -21.432 -5.885 24.041 1.00 0.05 H HETATM 1290 H9 UNN A 128 -22.185 -7.493 23.770 1.00 0.05 H HETATM 1291 H10 UNN A 128 -21.654 -7.016 25.419 1.00 0.05 H HETATM 1292 CAA UNN A 128 -24.473 -6.727 25.264 1.00 0.08 C HETATM 1293 CBB UNN A 128 -24.649 -8.033 25.743 1.00 -0.03 C HETATM 1294 CAL UNN A 128 -25.891 -8.378 26.300 1.00 0.07 C HETATM 1295 NAM UNN A 128 -26.032 -9.737 26.713 1.00 -0.15 N HETATM 1296 CAN UNN A 128 -26.779 -10.645 25.930 1.00 0.25 C HETATM 1297 OAO UNN A 128 -27.346 -10.277 24.880 1.00 -0.37 O HETATM 1298 CAP UNN A 128 -26.885 -12.005 26.362 1.00 0.07 C HETATM 1299 CAY UNN A 128 -26.148 -12.417 27.520 1.00 0.02 C HETATM 1300 CAT UNN A 128 -26.191 -13.773 27.937 1.00 -0.01 C HETATM 1301 CAS UNN A 128 -26.934 -14.693 27.174 1.00 -0.05 C HETATM 1302 CAR UNN A 128 -27.664 -14.298 26.030 1.00 -0.05 C HETATM 1303 CAQ UNN A 128 -27.626 -12.946 25.608 1.00 -0.04 C HETATM 1304 H12 UNN A 128 -28.159 -12.636 24.717 1.00 0.07 H HETATM 1305 H13 UNN A 128 -28.249 -15.025 25.479 1.00 0.06 H HETATM 1306 H14 UNN A 128 -26.947 -15.735 27.472 1.00 0.07 H HETATM 1307 CAU UNN A 128 -25.509 -14.175 29.135 1.00 -0.05 C HETATM 1308 CAV UNN A 128 -24.774 -13.238 29.858 1.00 -0.05 C HETATM 1309 CAW UNN A 128 -24.719 -11.881 29.451 1.00 -0.04 C HETATM 1310 CAX UNN A 128 -25.401 -11.488 28.280 1.00 0.07 C HETATM 1311 CAZ UNN A 128 -25.334 -10.139 27.870 1.00 0.25 C HETATM 1312 OBA UNN A 128 -24.703 -9.291 28.516 1.00 -0.37 O HETATM 1313 H17 UNN A 128 -24.161 -11.155 30.031 1.00 0.07 H HETATM 1314 H16 UNN A 128 -24.236 -13.551 30.745 1.00 0.06 H HETATM 1315 H15 UNN A 128 -25.566 -15.203 29.475 1.00 0.07 H HETATM 1316 H11 UNN A 128 -23.846 -8.759 25.685 1.00 0.04 H HETATM 1317 H4 UNN A 128 -27.575 -5.464 25.846 1.00 0.04 H HETATM 1318 H1 UNN A 128 -28.992 -7.143 26.857 1.00 0.03 H HETATM 1319 H2 UNN A 128 -28.070 -8.206 27.974 1.00 0.03 H HETATM 1320 H3 UNN A 128 -28.606 -8.830 26.377 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1276 1277 1318 1319 1320 CONECT 1277 1276 1278 1294 CONECT 1278 1277 1279 1317 CONECT 1279 1278 1280 1292 CONECT 1280 1279 1281 1285 CONECT 1281 1280 1282 1283 1284 CONECT 1282 1281 CONECT 1283 1281 CONECT 1284 1281 CONECT 1285 1280 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1292 CONECT 1288 1287 1289 1290 1291 CONECT 1289 1288 CONECT 1290 1288 CONECT 1291 1288 CONECT 1292 1279 1287 1293 CONECT 1293 1292 1294 1316 CONECT 1294 1277 1293 1295 CONECT 1295 1294 1296 1311 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1303 CONECT 1299 1298 1300 1310 CONECT 1300 1299 1301 1307 CONECT 1301 1300 1302 1306 CONECT 1302 1301 1303 1305 CONECT 1303 1298 1302 1304 CONECT 1304 1303 CONECT 1305 1302 CONECT 1306 1301 CONECT 1307 1300 1308 1315 CONECT 1308 1307 1309 1314 CONECT 1309 1308 1310 1313 CONECT 1310 1299 1309 1311 CONECT 1311 1295 1310 1312 CONECT 1312 1311 CONECT 1313 1309 CONECT 1314 1308 CONECT 1315 1307 CONECT 1316 1293 CONECT 1317 1278 CONECT 1318 1276 CONECT 1319 1276 CONECT 1320 1276 MASTER 0 0 0 0 0 0 0 0 1319 1 49 9 END
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Related entries of code: 5n49
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5n49
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 1
Ligand Name
8LW
EC.Number
E.C.-.-.-.-
Resolution
1.94(Å)
Affinity (Kd/Ki/IC50)
IC50=470nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4002-4022
Ligand Properties
Formula
C
2
2
H
1
7
N
3
O
3
Molecular Weight
371.389
Exact Mass
371.127
No. of atoms
45
No. of bonds
49
Polar Surface Area
66
LOGP Value
3.08 (
Computed with XLOGP3
)
2.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
Cc1cc2c(cc1n1c(=O)c3cccc4c3c(c1=O)ccc4)n(c(=O)n2C)C
InChI String
InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O95696
Entrez Gene ID
NCBI Entrez Gene ID:
23774
ASD
Information of known allosteric effects of PDB entries
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