Browse entries in the PDBbind-CN Database
HEADER 5IZU_COMPLEX COMPND 5IZU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 ARG THR LYS ARG LEU PHE ARG HIS TYR THR VAL GLY SER SEQRES 2 A 124 TYR ASP SER LEU THR SER HIS SER ASP TYR VAL ILE ASP SEQRES 3 A 124 ASP LYS VAL ALA ILE LEU GLN LYS ARG ASP HIS GLU GLY SEQRES 4 A 124 PHE GLY PHE VAL LEU ARG GLY ALA LYS ALA GLU THR PRO SEQRES 5 A 124 ILE GLU GLU PHE THR PRO THR PRO ALA PHE PRO ALA LEU SEQRES 6 A 124 GLN TYR LEU GLU SER VAL ASP VAL GLU GLY VAL ALA TRP SEQRES 7 A 124 ARG ALA GLY LEU ARG THR GLY ASP PHE LEU ILE GLU VAL SEQRES 8 A 124 ASN GLY VAL ASN VAL VAL LYS VAL GLY HIS LYS GLN VAL SEQRES 9 A 124 VAL GLY LEU ILE ARG GLN GLY GLY ASN ARG LEU VAL MET SEQRES 10 A 124 LYS VAL VAL SER VAL THR ARG SEQRES 1 C 124 ARG THR LYS ARG LEU PHE ARG HIS TYR THR VAL GLY SER SEQRES 2 C 124 TYR ASP SER LEU THR SER HIS SER ASP TYR VAL ILE ASP SEQRES 3 C 124 ASP LYS VAL ALA ILE LEU GLN LYS ARG ASP HIS GLU GLY SEQRES 4 C 124 PHE GLY PHE VAL LEU ARG GLY ALA LYS ALA GLU THR PRO SEQRES 5 C 124 ILE GLU GLU PHE THR PRO THR PRO ALA PHE PRO ALA LEU SEQRES 6 C 124 GLN TYR LEU GLU SER VAL ASP VAL GLU GLY VAL ALA TRP SEQRES 7 C 124 ARG ALA GLY LEU ARG THR GLY ASP PHE LEU ILE GLU VAL SEQRES 8 C 124 ASN GLY VAL ASN VAL VAL LYS VAL GLY HIS LYS GLN VAL SEQRES 9 C 124 VAL GLY LEU ILE ARG GLN GLY GLY ASN ARG LEU VAL MET SEQRES 10 C 124 LYS VAL VAL SER VAL THR ARG HET ALA A 344 242 ATOM 1 N ARG A 542 3.265 -1.951 14.133 1.00109.05 N ATOM 2 CA ARG A 542 3.126 -0.612 14.699 1.00112.94 C ATOM 3 C ARG A 542 4.491 0.044 14.926 1.00108.34 C ATOM 4 O ARG A 542 4.972 0.812 14.085 1.00109.16 O ATOM 5 CB ARG A 542 2.322 -0.655 16.003 1.00113.33 C ATOM 6 HN3 ARG A 542 3.813 -2.547 14.786 1.00 0.00 H ATOM 7 HN2 ARG A 542 3.758 -1.890 13.219 1.00 0.00 H ATOM 8 HN1 ARG A 542 2.322 -2.366 13.992 1.00 0.00 H ATOM 9 N THR A 543 5.114 -0.255 16.060 1.00102.28 N ATOM 10 CA THR A 543 6.438 0.271 16.349 1.00 97.85 C ATOM 11 C THR A 543 7.493 -0.471 15.514 1.00 99.76 C ATOM 12 O THR A 543 7.990 -1.521 15.923 1.00 97.92 O ATOM 13 CB THR A 543 6.752 0.200 17.870 1.00115.53 C ATOM 14 OG1 THR A 543 8.085 -0.279 18.077 1.00112.35 O ATOM 15 CG2 THR A 543 5.770 -0.720 18.594 1.00116.72 C ATOM 16 HG1 THR A 543 8.174 -1.183 17.684 1.00 0.00 H ATOM 17 H THR A 543 4.647 -0.875 16.752 1.00 0.00 H ATOM 18 N LYS A 544 7.808 0.072 14.334 1.00 99.26 N ATOM 19 CA LYS A 544 8.772 -0.541 13.406 1.00 90.32 C ATOM 20 C LYS A 544 9.507 0.491 12.544 1.00 89.08 C ATOM 21 O LYS A 544 8.976 1.556 12.240 1.00 95.82 O ATOM 22 CB LYS A 544 8.087 -1.577 12.503 1.00 79.97 C ATOM 23 CG LYS A 544 6.939 -1.023 11.687 1.00 79.71 C ATOM 24 CD LYS A 544 5.982 -2.124 11.260 1.00 83.05 C ATOM 25 H LYS A 544 7.352 0.966 14.060 1.00 0.00 H ATOM 26 N ARG A 545 10.733 0.164 12.149 1.00 82.86 N ATOM 27 CA ARG A 545 11.530 1.061 11.320 1.00 77.07 C ATOM 28 C ARG A 545 11.775 0.475 9.935 1.00 76.66 C ATOM 29 O ARG A 545 11.908 -0.742 9.777 1.00 73.10 O ATOM 30 CB ARG A 545 12.860 1.378 11.998 1.00 73.04 C ATOM 31 CG ARG A 545 13.792 2.253 11.179 1.00 75.45 C ATOM 32 CD ARG A 545 14.946 2.741 12.013 1.00 70.39 C ATOM 33 NE ARG A 545 14.526 3.790 12.935 1.00 72.47 N ATOM 34 CZ ARG A 545 14.770 5.083 12.751 1.00 73.90 C ATOM 35 NH1 ARG A 545 15.451 5.493 11.681 1.00 60.39 N ATOM 36 NH2 ARG A 545 14.345 5.964 13.649 1.00 77.65 N ATOM 37 HE ARG A 545 14.003 3.509 13.789 1.00 0.00 H ATOM 38 HH12 ARG A 545 15.639 6.506 11.541 1.00 0.00 H ATOM 39 HH11 ARG A 545 15.794 4.800 10.986 1.00 0.00 H ATOM 40 HH22 ARG A 545 14.532 6.978 13.512 1.00 0.00 H ATOM 41 HH21 ARG A 545 13.825 5.640 14.489 1.00 0.00 H ATOM 42 H ARG A 545 11.133 -0.752 12.437 1.00 0.00 H ATOM 43 N LEU A 546 11.831 1.354 8.938 1.00 73.99 N ATOM 44 CA LEU A 546 12.083 0.959 7.559 1.00 73.43 C ATOM 45 C LEU A 546 13.579 0.877 7.250 1.00 65.83 C ATOM 46 O LEU A 546 14.299 1.875 7.328 1.00 63.13 O ATOM 47 CB LEU A 546 11.397 1.943 6.609 1.00 75.94 C ATOM 48 CG LEU A 546 11.352 1.639 5.111 1.00 78.48 C ATOM 49 CD1 LEU A 546 12.592 2.171 4.397 1.00 88.41 C ATOM 50 CD2 LEU A 546 11.152 0.151 4.868 1.00 71.65 C ATOM 51 H LEU A 546 11.689 2.362 9.152 1.00 0.00 H ATOM 52 N PHE A 547 14.025 -0.321 6.883 1.00 56.55 N ATOM 53 CA PHE A 547 15.410 -0.560 6.501 1.00 53.26 C ATOM 54 C PHE A 547 15.529 -0.977 5.040 1.00 66.61 C ATOM 55 O PHE A 547 14.710 -1.748 4.545 1.00 71.01 O ATOM 56 CB PHE A 547 16.003 -1.672 7.358 1.00 53.05 C ATOM 57 CG PHE A 547 16.355 -1.244 8.745 1.00 60.26 C ATOM 58 CD1 PHE A 547 17.673 -0.988 9.089 1.00 55.33 C ATOM 59 CD2 PHE A 547 15.367 -1.098 9.712 1.00 67.86 C ATOM 60 CE1 PHE A 547 18.007 -0.598 10.386 1.00 60.52 C ATOM 61 CE2 PHE A 547 15.689 -0.706 11.007 1.00 71.70 C ATOM 62 CZ PHE A 547 17.016 -0.456 11.347 1.00 60.17 C ATOM 63 H PHE A 547 13.358 -1.119 6.868 1.00 0.00 H ATOM 64 N ARG A 548 16.563 -0.486 4.362 1.00 60.61 N ATOM 65 CA ARG A 548 16.842 -0.909 2.996 1.00 52.04 C ATOM 66 C ARG A 548 17.828 -2.070 2.967 1.00 59.17 C ATOM 67 O ARG A 548 18.916 -2.001 3.556 1.00 64.28 O ATOM 68 CB ARG A 548 17.381 0.248 2.155 1.00 50.90 C ATOM 69 CG ARG A 548 17.550 -0.094 0.660 1.00 57.84 C ATOM 70 CD ARG A 548 18.386 0.948 -0.073 1.00 59.27 C ATOM 71 NE ARG A 548 19.784 0.882 0.359 1.00 80.01 N ATOM 72 CZ ARG A 548 20.654 1.890 0.284 1.00 88.53 C ATOM 73 NH1 ARG A 548 20.275 3.063 -0.215 1.00 93.43 N ATOM 74 NH2 ARG A 548 21.907 1.723 0.709 1.00 77.93 N ATOM 75 HE ARG A 548 20.124 -0.018 0.754 1.00 0.00 H ATOM 76 HH12 ARG A 548 20.955 3.848 -0.273 1.00 0.00 H ATOM 77 HH11 ARG A 548 19.299 3.196 -0.548 1.00 0.00 H ATOM 78 HH22 ARG A 548 22.585 2.509 0.650 1.00 0.00 H ATOM 79 HH21 ARG A 548 22.206 0.806 1.099 1.00 0.00 H ATOM 80 H ARG A 548 17.184 0.214 4.816 1.00 0.00 H ATOM 81 N HIS A 549 17.437 -3.139 2.280 1.00 57.00 N ATOM 82 CA HIS A 549 18.311 -4.288 2.100 1.00 56.91 C ATOM 83 C HIS A 549 18.880 -4.326 0.672 1.00 61.99 C ATOM 84 O HIS A 549 18.210 -4.711 -0.290 1.00 52.70 O ATOM 85 CB HIS A 549 17.598 -5.596 2.464 1.00 57.47 C ATOM 86 CG HIS A 549 18.516 -6.776 2.545 1.00 66.63 C ATOM 87 ND1 HIS A 549 18.112 -8.059 2.249 1.00 72.94 N ATOM 88 CD2 HIS A 549 19.826 -6.861 2.879 1.00 72.96 C ATOM 89 CE1 HIS A 549 19.133 -8.884 2.396 1.00 79.19 C ATOM 90 NE2 HIS A 549 20.184 -8.184 2.780 1.00 78.11 N ATOM 91 H HIS A 549 16.485 -3.154 1.862 1.00 0.00 H ATOM 92 N TYR A 550 20.131 -3.897 0.556 1.00 64.25 N ATOM 93 CA TYR A 550 20.822 -3.843 -0.712 1.00 56.53 C ATOM 94 C TYR A 550 21.735 -5.040 -0.796 1.00 55.97 C ATOM 95 O TYR A 550 22.468 -5.344 0.146 1.00 55.92 O ATOM 96 CB TYR A 550 21.648 -2.565 -0.801 1.00 51.53 C ATOM 97 CG TYR A 550 22.300 -2.339 -2.142 1.00 53.66 C ATOM 98 CD1 TYR A 550 21.546 -2.338 -3.307 1.00 47.52 C ATOM 99 CD2 TYR A 550 23.668 -2.101 -2.245 1.00 51.48 C ATOM 100 CE1 TYR A 550 22.139 -2.116 -4.544 1.00 52.92 C ATOM 101 CE2 TYR A 550 24.270 -1.889 -3.477 1.00 46.46 C ATOM 102 CZ TYR A 550 23.497 -1.892 -4.623 1.00 54.22 C ATOM 103 OH TYR A 550 24.071 -1.666 -5.853 1.00 61.48 O ATOM 104 HH TYR A 550 23.373 -1.705 -6.554 1.00 0.00 H ATOM 105 H TYR A 550 20.634 -3.587 1.412 1.00 0.00 H ATOM 106 N THR A 551 21.691 -5.727 -1.927 1.00 55.56 N ATOM 107 CA THR A 551 22.587 -6.844 -2.128 1.00 50.12 C ATOM 108 C THR A 551 23.118 -6.893 -3.560 1.00 60.35 C ATOM 109 O THR A 551 22.368 -6.741 -4.531 1.00 61.52 O ATOM 110 CB THR A 551 21.916 -8.166 -1.709 1.00 50.59 C ATOM 111 OG1 THR A 551 22.665 -9.281 -2.216 1.00 59.95 O ATOM 112 CG2 THR A 551 20.500 -8.216 -2.214 1.00 52.32 C ATOM 113 HG1 THR A 551 23.585 -9.253 -1.851 1.00 0.00 H ATOM 114 H THR A 551 21.013 -5.464 -2.670 1.00 0.00 H ATOM 115 N VAL A 552 24.426 -7.082 -3.683 1.00 54.35 N ATOM 116 CA VAL A 552 25.037 -7.214 -4.995 1.00 52.57 C ATOM 117 C VAL A 552 26.303 -8.046 -4.920 1.00 49.35 C ATOM 118 O VAL A 552 27.163 -7.803 -4.073 1.00 49.02 O ATOM 119 CB VAL A 552 25.334 -5.834 -5.637 1.00 52.30 C ATOM 120 CG1 VAL A 552 26.062 -4.950 -4.685 1.00 40.59 C ATOM 121 CG2 VAL A 552 26.143 -5.995 -6.911 1.00 61.04 C ATOM 122 H VAL A 552 25.020 -7.136 -2.831 1.00 0.00 H ATOM 123 N GLY A 553 26.400 -9.035 -5.804 1.00 46.31 N ATOM 124 CA GLY A 553 27.549 -9.915 -5.866 1.00 54.17 C ATOM 125 C GLY A 553 27.843 -10.581 -4.535 1.00 58.95 C ATOM 126 O GLY A 553 28.981 -10.558 -4.062 1.00 66.18 O ATOM 127 H GLY A 553 25.621 -9.182 -6.477 1.00 0.00 H ATOM 128 N SER A 554 26.814 -11.156 -3.923 1.00 49.91 N ATOM 129 CA SER A 554 26.953 -11.831 -2.628 1.00 57.69 C ATOM 130 C SER A 554 27.347 -10.947 -1.431 1.00 56.67 C ATOM 131 O SER A 554 27.581 -11.462 -0.343 1.00 59.11 O ATOM 132 CB SER A 554 27.906 -13.030 -2.726 1.00 54.48 C ATOM 133 H SER A 554 25.879 -11.127 -4.377 1.00 0.00 H ATOM 134 N TYR A 555 27.417 -9.632 -1.613 1.00 48.77 N ATOM 135 CA TYR A 555 27.536 -8.742 -0.455 1.00 41.84 C ATOM 136 C TYR A 555 26.180 -8.142 -0.086 1.00 54.61 C ATOM 137 O TYR A 555 25.373 -7.830 -0.958 1.00 59.89 O ATOM 138 CB TYR A 555 28.560 -7.637 -0.693 1.00 40.52 C ATOM 139 CG TYR A 555 29.915 -8.157 -1.116 1.00 57.22 C ATOM 140 CD1 TYR A 555 30.800 -8.698 -0.192 1.00 60.34 C ATOM 141 CD2 TYR A 555 30.312 -8.109 -2.445 1.00 61.62 C ATOM 142 CE1 TYR A 555 32.047 -9.176 -0.589 1.00 57.01 C ATOM 143 CE2 TYR A 555 31.548 -8.589 -2.846 1.00 58.69 C ATOM 144 CZ TYR A 555 32.411 -9.117 -1.918 1.00 55.67 C ATOM 145 OH TYR A 555 33.633 -9.587 -2.336 1.00 57.06 O ATOM 146 HH TYR A 555 34.136 -9.933 -1.557 1.00 0.00 H ATOM 147 H TYR A 555 27.387 -9.236 -2.574 1.00 0.00 H ATOM 148 N ASP A 556 25.930 -8.013 1.216 1.00 67.02 N ATOM 149 CA ASP A 556 24.701 -7.423 1.732 1.00 61.46 C ATOM 150 C ASP A 556 25.034 -6.175 2.495 1.00 58.94 C ATOM 151 O ASP A 556 26.062 -6.105 3.174 1.00 57.97 O ATOM 152 CB ASP A 556 24.031 -8.333 2.755 1.00 65.57 C ATOM 153 CG ASP A 556 23.542 -9.617 2.173 1.00 75.55 C ATOM 154 OD1 ASP A 556 23.533 -10.613 2.927 1.00 81.06 O ATOM 155 OD2 ASP A 556 23.156 -9.632 0.986 1.00 81.72 O ATOM 156 H ASP A 556 26.643 -8.348 1.895 1.00 0.00 H ATOM 157 N SER A 557 24.137 -5.203 2.413 1.00 52.07 N ATOM 158 CA SER A 557 24.095 -4.146 3.397 1.00 41.50 C ATOM 159 C SER A 557 22.648 -3.956 3.816 1.00 46.70 C ATOM 160 O SER A 557 21.725 -4.157 3.026 1.00 46.91 O ATOM 161 CB SER A 557 24.719 -2.842 2.887 1.00 44.08 C ATOM 162 OG SER A 557 23.892 -2.184 1.953 1.00 66.37 O ATOM 163 HG SER A 557 23.025 -1.965 2.378 1.00 0.00 H ATOM 164 H SER A 557 23.454 -5.201 1.629 1.00 0.00 H ATOM 165 N LEU A 558 22.455 -3.607 5.083 1.00 45.26 N ATOM 166 CA LEU A 558 21.139 -3.281 5.596 1.00 45.85 C ATOM 167 C LEU A 558 21.224 -1.942 6.316 1.00 50.89 C ATOM 168 O LEU A 558 21.833 -1.822 7.385 1.00 49.32 O ATOM 169 CB LEU A 558 20.646 -4.370 6.543 1.00 49.73 C ATOM 170 CG LEU A 558 19.265 -4.048 7.095 1.00 56.98 C ATOM 171 CD1 LEU A 558 18.217 -4.211 5.999 1.00 50.35 C ATOM 172 CD2 LEU A 558 18.947 -4.899 8.313 1.00 58.73 C ATOM 173 H LEU A 558 23.272 -3.566 5.726 1.00 0.00 H ATOM 174 N THR A 559 20.601 -0.936 5.724 1.00 50.25 N ATOM 175 CA THR A 559 20.738 0.426 6.195 1.00 49.88 C ATOM 176 C THR A 559 19.374 1.005 6.492 1.00 57.74 C ATOM 177 O THR A 559 18.378 0.568 5.918 1.00 60.22 O ATOM 178 CB THR A 559 21.387 1.270 5.112 1.00 49.31 C ATOM 179 OG1 THR A 559 20.750 0.981 3.858 1.00 48.76 O ATOM 180 CG2 THR A 559 22.852 0.919 5.003 1.00 41.53 C ATOM 181 HG1 THR A 559 20.860 0.020 3.647 1.00 0.00 H ATOM 182 H THR A 559 19.997 -1.129 4.899 1.00 0.00 H ATOM 183 N SER A 560 19.315 1.992 7.378 1.00 61.83 N ATOM 184 CA SER A 560 18.041 2.633 7.646 1.00 69.31 C ATOM 185 C SER A 560 17.943 3.978 6.963 1.00 71.97 C ATOM 186 O SER A 560 18.881 4.771 7.001 1.00 72.02 O ATOM 187 CB SER A 560 17.782 2.778 9.134 1.00 78.57 C ATOM 188 OG SER A 560 16.474 3.278 9.352 1.00 89.84 O ATOM 189 HG SER A 560 15.813 2.650 8.966 1.00 0.00 H ATOM 190 H SER A 560 20.174 2.303 7.875 1.00 0.00 H ATOM 191 N HIS A 561 16.796 4.202 6.326 1.00 83.81 N ATOM 192 CA HIS A 561 16.493 5.432 5.604 1.00 90.80 C ATOM 193 C HIS A 561 15.170 5.982 6.109 1.00 96.52 C ATOM 194 O HIS A 561 14.126 5.781 5.488 1.00 98.19 O ATOM 195 CB HIS A 561 16.380 5.161 4.104 1.00 92.78 C ATOM 196 H HIS A 561 16.073 3.455 6.344 1.00 0.00 H ATOM 197 N SER A 562 15.224 6.668 7.245 1.00 96.84 N ATOM 198 CA SER A 562 14.035 7.217 7.878 1.00 92.92 C ATOM 199 C SER A 562 13.802 8.671 7.476 1.00 86.69 C ATOM 200 O SER A 562 14.690 9.515 7.626 1.00 83.85 O ATOM 201 CB SER A 562 14.169 7.115 9.392 1.00 98.19 C ATOM 202 OG SER A 562 13.103 7.765 10.059 1.00104.66 O ATOM 203 HG SER A 562 13.225 7.677 11.038 1.00 0.00 H ATOM 204 H SER A 562 16.148 6.818 7.698 1.00 0.00 H ATOM 205 N ASP A 563 12.599 8.953 6.978 1.00 80.13 N ATOM 206 CA ASP A 563 12.221 10.295 6.542 1.00 80.83 C ATOM 207 C ASP A 563 12.119 11.328 7.676 1.00 79.97 C ATOM 208 O ASP A 563 11.833 10.985 8.828 1.00 72.22 O ATOM 209 CB ASP A 563 10.897 10.249 5.771 1.00 91.42 C ATOM 210 CG ASP A 563 11.015 9.516 4.443 1.00 96.92 C ATOM 211 OD1 ASP A 563 9.960 9.198 3.847 1.00102.96 O ATOM 212 OD2 ASP A 563 12.158 9.253 3.999 1.00 86.95 O ATOM 213 H ASP A 563 11.901 8.187 6.896 1.00 0.00 H ATOM 214 N TYR A 564 12.341 12.596 7.326 1.00 85.79 N ATOM 215 CA TYR A 564 12.190 13.710 8.262 1.00 87.64 C ATOM 216 C TYR A 564 10.723 13.974 8.618 1.00 97.93 C ATOM 217 O TYR A 564 9.858 14.053 7.740 1.00 94.82 O ATOM 218 CB TYR A 564 12.807 15.003 7.701 1.00 80.80 C ATOM 219 CG TYR A 564 14.331 15.093 7.694 1.00 80.39 C ATOM 220 CD1 TYR A 564 15.054 14.919 6.512 1.00 83.09 C ATOM 221 CD2 TYR A 564 15.047 15.395 8.854 1.00 81.82 C ATOM 222 CE1 TYR A 564 16.445 15.018 6.489 1.00 61.61 C ATOM 223 CE2 TYR A 564 16.446 15.499 8.840 1.00 63.77 C ATOM 224 CZ TYR A 564 17.131 15.310 7.650 1.00 68.57 C ATOM 225 OH TYR A 564 18.504 15.408 7.604 1.00 70.37 O ATOM 226 HH TYR A 564 18.815 15.244 6.678 1.00 0.00 H ATOM 227 H TYR A 564 12.633 12.801 6.349 1.00 0.00 H ATOM 228 N VAL A 565 10.466 14.114 9.916 1.00 68.66 N ATOM 229 CA VAL A 565 9.176 14.552 10.439 1.00 68.93 C ATOM 230 C VAL A 565 9.133 16.074 10.564 1.00 66.16 C ATOM 231 O VAL A 565 10.002 16.675 11.188 1.00 66.95 O ATOM 232 CB VAL A 565 8.942 13.973 11.837 1.00 71.82 C ATOM 233 CG1 VAL A 565 7.735 14.628 12.485 1.00 73.87 C ATOM 234 CG2 VAL A 565 8.782 12.463 11.764 1.00 77.31 C ATOM 235 H VAL A 565 11.225 13.900 10.594 1.00 0.00 H ATOM 236 N ILE A 566 8.122 16.700 9.972 1.00 67.55 N ATOM 237 CA ILE A 566 7.943 18.139 10.113 1.00 65.80 C ATOM 238 C ILE A 566 6.814 18.400 11.094 1.00 64.07 C ATOM 239 O ILE A 566 5.658 18.105 10.806 1.00 67.60 O ATOM 240 CB ILE A 566 7.584 18.809 8.777 1.00 78.63 C ATOM 241 CG1 ILE A 566 8.327 18.143 7.609 1.00 92.82 C ATOM 242 CG2 ILE A 566 7.880 20.303 8.845 1.00 72.00 C ATOM 243 CD1 ILE A 566 9.831 18.412 7.583 1.00 94.03 C ATOM 244 H ILE A 566 7.447 16.154 9.399 1.00 0.00 H ATOM 245 N ASP A 567 7.146 18.949 12.255 1.00 62.41 N ATOM 246 CA ASP A 567 6.149 19.145 13.303 1.00 62.82 C ATOM 247 C ASP A 567 5.979 20.618 13.675 1.00 49.90 C ATOM 248 O ASP A 567 6.823 21.201 14.353 1.00 47.86 O ATOM 249 CB ASP A 567 6.501 18.311 14.532 1.00 79.04 C ATOM 250 CG ASP A 567 5.449 18.409 15.621 1.00 99.27 C ATOM 251 OD1 ASP A 567 4.382 17.774 15.466 1.00110.83 O ATOM 252 OD2 ASP A 567 5.689 19.113 16.632 1.00 96.02 O ATOM 253 H ASP A 567 8.130 19.244 12.421 1.00 0.00 H ATOM 254 N ASP A 568 4.889 21.224 13.218 1.00 55.54 N ATOM 255 CA ASP A 568 4.655 22.639 13.477 1.00 70.25 C ATOM 256 C ASP A 568 3.964 22.875 14.818 1.00 70.08 C ATOM 257 O ASP A 568 3.082 22.114 15.228 1.00 69.25 O ATOM 258 CB ASP A 568 3.897 23.326 12.325 1.00 83.43 C ATOM 259 CG ASP A 568 2.971 22.384 11.567 1.00 99.13 C ATOM 260 OD1 ASP A 568 2.716 21.257 12.042 1.00111.89 O ATOM 261 OD2 ASP A 568 2.483 22.784 10.488 1.00100.64 O ATOM 262 H ASP A 568 4.193 20.681 12.668 1.00 0.00 H ATOM 263 N LYS A 569 4.400 23.925 15.506 1.00 60.66 N ATOM 264 CA LYS A 569 3.783 24.326 16.752 1.00 54.73 C ATOM 265 C LYS A 569 3.755 25.832 16.879 1.00 53.47 C ATOM 266 O LYS A 569 4.502 26.543 16.200 1.00 48.62 O ATOM 267 CB LYS A 569 4.508 23.709 17.947 1.00 59.54 C ATOM 268 CG LYS A 569 6.015 23.766 17.877 1.00 50.87 C ATOM 269 CD LYS A 569 6.650 22.663 18.737 1.00 42.85 C ATOM 270 CE LYS A 569 7.867 23.211 19.483 1.00 43.64 C ATOM 271 NZ LYS A 569 8.829 22.166 19.906 1.00 41.43 N ATOM 272 HZ1 LYS A 569 8.353 21.495 20.542 1.00 0.00 H ATOM 273 HZ2 LYS A 569 9.181 21.661 19.068 1.00 0.00 H ATOM 274 HZ3 LYS A 569 9.626 22.611 20.404 1.00 0.00 H ATOM 275 H LYS A 569 5.205 24.472 15.140 1.00 0.00 H ATOM 276 N VAL A 570 2.864 26.308 17.741 1.00 48.49 N ATOM 277 CA VAL A 570 2.796 27.710 18.090 1.00 39.86 C ATOM 278 C VAL A 570 3.204 27.927 19.548 1.00 48.55 C ATOM 279 O VAL A 570 2.757 27.205 20.436 1.00 60.23 O ATOM 280 CB VAL A 570 1.377 28.241 17.949 1.00 48.95 C ATOM 281 CG1 VAL A 570 1.357 29.701 18.311 1.00 63.39 C ATOM 282 CG2 VAL A 570 0.856 28.028 16.552 1.00 39.63 C ATOM 283 H VAL A 570 2.191 25.649 18.181 1.00 0.00 H ATOM 284 N ALA A 571 4.021 28.948 19.787 1.00 46.08 N ATOM 285 CA ALA A 571 4.436 29.315 21.130 1.00 44.78 C ATOM 286 C ALA A 571 4.031 30.743 21.513 1.00 49.38 C ATOM 287 O ALA A 571 4.220 31.684 20.748 1.00 57.33 O ATOM 288 CB ALA A 571 5.931 29.144 21.271 1.00 42.23 C ATOM 289 H ALA A 571 4.376 29.504 18.983 1.00 0.00 H ATOM 290 N ILE A 572 3.480 30.893 22.709 1.00 50.94 N ATOM 291 CA ILE A 572 3.214 32.213 23.267 1.00 54.93 C ATOM 292 C ILE A 572 4.080 32.466 24.505 1.00 55.77 C ATOM 293 O ILE A 572 4.009 31.718 25.473 1.00 55.20 O ATOM 294 CB ILE A 572 1.748 32.366 23.646 1.00 51.99 C ATOM 295 CG1 ILE A 572 0.885 32.301 22.384 1.00 40.22 C ATOM 296 CG2 ILE A 572 1.538 33.671 24.415 1.00 33.35 C ATOM 297 CD1 ILE A 572 -0.594 32.236 22.666 1.00 38.77 C ATOM 298 H ILE A 572 3.231 30.048 23.263 1.00 0.00 H ATOM 299 N LEU A 573 4.890 33.522 24.460 1.00 49.33 N ATOM 300 CA LEU A 573 5.883 33.787 25.493 1.00 44.05 C ATOM 301 C LEU A 573 5.631 35.129 26.142 1.00 53.49 C ATOM 302 O LEU A 573 5.525 36.161 25.465 1.00 53.01 O ATOM 303 CB LEU A 573 7.304 33.781 24.917 1.00 44.61 C ATOM 304 CG LEU A 573 7.870 32.484 24.339 1.00 48.15 C ATOM 305 CD1 LEU A 573 7.303 32.214 22.954 1.00 46.57 C ATOM 306 CD2 LEU A 573 9.385 32.533 24.304 1.00 46.90 C ATOM 307 H LEU A 573 4.811 34.181 23.659 1.00 0.00 H ATOM 308 N GLN A 574 5.536 35.110 27.463 1.00 50.63 N ATOM 309 CA GLN A 574 5.378 36.328 28.225 1.00 52.50 C ATOM 310 C GLN A 574 6.501 36.362 29.241 1.00 51.65 C ATOM 311 O GLN A 574 6.644 35.443 30.037 1.00 52.48 O ATOM 312 CB GLN A 574 4.020 36.337 28.922 1.00 52.50 C ATOM 313 CG GLN A 574 3.660 37.658 29.566 1.00 42.77 C ATOM 314 CD GLN A 574 3.357 38.725 28.548 1.00 51.65 C ATOM 315 OE1 GLN A 574 2.970 38.434 27.412 1.00 49.06 O ATOM 316 NE2 GLN A 574 3.536 39.970 28.942 1.00 51.90 N ATOM 317 HE22 GLN A 574 3.864 40.167 29.909 1.00 0.00 H ATOM 318 HE21 GLN A 574 3.350 40.755 28.286 1.00 0.00 H ATOM 319 H GLN A 574 5.576 34.199 27.963 1.00 0.00 H ATOM 320 N LYS A 575 7.319 37.403 29.204 1.00 55.76 N ATOM 321 CA LYS A 575 8.437 37.475 30.130 1.00 52.48 C ATOM 322 C LYS A 575 8.271 38.637 31.096 1.00 54.14 C ATOM 323 O LYS A 575 7.314 39.400 30.998 1.00 57.66 O ATOM 324 CB LYS A 575 9.775 37.546 29.381 1.00 48.56 C ATOM 325 CG LYS A 575 10.106 38.872 28.703 1.00 53.10 C ATOM 326 CD LYS A 575 11.517 38.817 28.086 1.00 45.82 C ATOM 327 CE LYS A 575 12.000 40.173 27.580 1.00 46.01 C ATOM 328 NZ LYS A 575 12.164 41.197 28.673 1.00 51.81 N ATOM 329 HZ1 LYS A 575 11.250 41.347 29.146 1.00 0.00 H ATOM 330 HZ2 LYS A 575 12.861 40.855 29.365 1.00 0.00 H ATOM 331 HZ3 LYS A 575 12.494 42.093 28.260 1.00 0.00 H ATOM 332 H LYS A 575 7.162 38.166 28.515 1.00 0.00 H ATOM 333 N ARG A 576 9.184 38.750 32.054 1.00 56.35 N ATOM 334 CA ARG A 576 9.251 39.945 32.896 1.00 55.26 C ATOM 335 C ARG A 576 10.306 40.869 32.304 1.00 65.56 C ATOM 336 O ARG A 576 11.167 40.430 31.524 1.00 64.80 O ATOM 337 CB ARG A 576 9.595 39.595 34.347 1.00 52.97 C ATOM 338 CG ARG A 576 8.516 38.805 35.053 1.00 63.18 C ATOM 339 CD ARG A 576 8.764 38.708 36.563 1.00 74.48 C ATOM 340 NE ARG A 576 8.672 37.322 37.000 1.00 79.13 N ATOM 341 CZ ARG A 576 9.708 36.491 37.061 1.00 89.28 C ATOM 342 NH1 ARG A 576 10.929 36.910 36.739 1.00 87.33 N ATOM 343 NH2 ARG A 576 9.523 35.238 37.450 1.00 96.43 N ATOM 344 HE ARG A 576 7.739 36.960 37.282 1.00 0.00 H ATOM 345 HH12 ARG A 576 11.734 36.254 36.789 1.00 0.00 H ATOM 346 HH11 ARG A 576 11.078 37.894 36.437 1.00 0.00 H ATOM 347 HH22 ARG A 576 10.330 34.584 37.499 1.00 0.00 H ATOM 348 HH21 ARG A 576 8.570 34.908 37.706 1.00 0.00 H ATOM 349 H ARG A 576 9.862 37.977 32.208 1.00 0.00 H ATOM 350 N ASP A 577 10.232 42.141 32.679 1.00 69.82 N ATOM 351 CA ASP A 577 11.096 43.178 32.127 1.00 75.20 C ATOM 352 C ASP A 577 12.574 42.815 32.176 1.00 79.54 C ATOM 353 O ASP A 577 13.318 43.068 31.225 1.00 80.55 O ATOM 354 CB ASP A 577 10.846 44.506 32.847 1.00 78.07 C ATOM 355 CG ASP A 577 9.554 45.173 32.402 1.00 85.77 C ATOM 356 OD1 ASP A 577 9.270 45.160 31.181 1.00 84.84 O ATOM 357 OD2 ASP A 577 8.821 45.706 33.265 1.00 88.46 O ATOM 358 H ASP A 577 9.528 42.409 33.396 1.00 0.00 H ATOM 359 N HIS A 578 12.985 42.200 33.279 1.00 82.59 N ATOM 360 CA HIS A 578 14.385 41.859 33.486 1.00 82.92 C ATOM 361 C HIS A 578 14.754 40.493 32.895 1.00 77.72 C ATOM 362 O HIS A 578 15.866 40.309 32.391 1.00 74.93 O ATOM 363 CB HIS A 578 14.731 41.909 34.976 1.00 80.81 C ATOM 364 H HIS A 578 12.290 41.956 34.013 1.00 0.00 H ATOM 365 N GLU A 579 13.841 39.528 32.949 1.00 67.82 N ATOM 366 CA GLU A 579 14.213 38.197 32.488 1.00 69.30 C ATOM 367 C GLU A 579 14.332 38.112 30.967 1.00 73.51 C ATOM 368 O GLU A 579 13.880 38.995 30.229 1.00 73.24 O ATOM 369 CB GLU A 579 13.319 37.084 33.071 1.00 71.32 C ATOM 370 CG GLU A 579 11.875 37.018 32.580 1.00 75.40 C ATOM 371 CD GLU A 579 11.127 35.798 33.130 1.00 78.82 C ATOM 372 OE1 GLU A 579 9.893 35.883 33.327 1.00 72.89 O ATOM 373 OE2 GLU A 579 11.775 34.750 33.364 1.00 79.42 O ATOM 374 H GLU A 579 12.885 39.719 33.311 1.00 0.00 H ATOM 375 N GLY A 580 14.992 37.063 30.504 1.00 70.99 N ATOM 376 CA GLY A 580 15.084 36.820 29.082 1.00 69.04 C ATOM 377 C GLY A 580 13.958 35.892 28.688 1.00 62.58 C ATOM 378 O GLY A 580 13.197 35.426 29.546 1.00 56.64 O ATOM 379 H GLY A 580 15.449 36.407 31.169 1.00 0.00 H ATOM 380 N PHE A 581 13.839 35.634 27.391 1.00 57.82 N ATOM 381 CA PHE A 581 12.917 34.620 26.901 1.00 48.93 C ATOM 382 C PHE A 581 13.554 33.252 27.123 1.00 52.26 C ATOM 383 O PHE A 581 12.861 32.249 27.283 1.00 58.90 O ATOM 384 CB PHE A 581 12.578 34.849 25.424 1.00 45.12 C ATOM 385 CG PHE A 581 11.640 36.009 25.186 1.00 45.71 C ATOM 386 CD1 PHE A 581 12.072 37.151 24.522 1.00 49.73 C ATOM 387 CD2 PHE A 581 10.333 35.965 25.644 1.00 38.51 C ATOM 388 CE1 PHE A 581 11.203 38.228 24.307 1.00 49.54 C ATOM 389 CE2 PHE A 581 9.464 37.033 25.432 1.00 43.72 C ATOM 390 CZ PHE A 581 9.897 38.166 24.759 1.00 40.46 C ATOM 391 H PHE A 581 14.417 36.168 26.711 1.00 0.00 H ATOM 392 N GLY A 582 14.882 33.230 27.166 1.00 56.86 N ATOM 393 CA GLY A 582 15.625 32.017 27.452 1.00 52.91 C ATOM 394 C GLY A 582 16.027 31.197 26.241 1.00 43.38 C ATOM 395 O GLY A 582 15.920 29.973 26.261 1.00 46.79 O ATOM 396 H GLY A 582 15.406 34.111 26.989 1.00 0.00 H ATOM 397 N PHE A 583 16.491 31.861 25.187 1.00 38.43 N ATOM 398 CA PHE A 583 16.985 31.148 24.008 1.00 39.95 C ATOM 399 C PHE A 583 18.068 31.912 23.259 1.00 47.09 C ATOM 400 O PHE A 583 18.169 33.138 23.349 1.00 46.51 O ATOM 401 CB PHE A 583 15.848 30.731 23.057 1.00 37.00 C ATOM 402 CG PHE A 583 15.143 31.892 22.381 1.00 48.02 C ATOM 403 CD1 PHE A 583 15.661 32.474 21.226 1.00 43.62 C ATOM 404 CD2 PHE A 583 13.953 32.383 22.888 1.00 43.14 C ATOM 405 CE1 PHE A 583 15.013 33.518 20.616 1.00 41.03 C ATOM 406 CE2 PHE A 583 13.301 33.434 22.277 1.00 41.70 C ATOM 407 CZ PHE A 583 13.822 33.999 21.141 1.00 41.41 C ATOM 408 H PHE A 583 16.503 32.901 25.200 1.00 0.00 H ATOM 409 N VAL A 584 18.890 31.168 22.533 1.00 49.77 N ATOM 410 CA VAL A 584 19.857 31.776 21.640 1.00 55.01 C ATOM 411 C VAL A 584 19.428 31.540 20.200 1.00 48.32 C ATOM 412 O VAL A 584 19.272 30.395 19.766 1.00 44.47 O ATOM 413 CB VAL A 584 21.248 31.215 21.863 1.00 54.26 C ATOM 414 CG1 VAL A 584 22.222 31.774 20.809 1.00 45.21 C ATOM 415 CG2 VAL A 584 21.696 31.537 23.282 1.00 53.64 C ATOM 416 H VAL A 584 18.841 30.132 22.605 1.00 0.00 H ATOM 417 N LEU A 585 19.212 32.633 19.478 1.00 37.22 N ATOM 418 CA LEU A 585 18.791 32.556 18.089 1.00 36.90 C ATOM 419 C LEU A 585 20.010 32.545 17.176 1.00 36.55 C ATOM 420 O LEU A 585 20.939 33.333 17.358 1.00 34.02 O ATOM 421 CB LEU A 585 17.898 33.743 17.730 1.00 43.30 C ATOM 422 CG LEU A 585 17.318 33.674 16.314 1.00 49.71 C ATOM 423 CD1 LEU A 585 16.341 32.488 16.169 1.00 37.75 C ATOM 424 CD2 LEU A 585 16.661 34.996 15.933 1.00 51.87 C ATOM 425 H LEU A 585 19.347 33.566 19.917 1.00 0.00 H ATOM 426 N ARG A 586 20.012 31.650 16.199 1.00 37.12 N ATOM 427 CA ARG A 586 21.113 31.605 15.236 1.00 36.73 C ATOM 428 C ARG A 586 20.585 31.498 13.815 1.00 43.51 C ATOM 429 O ARG A 586 19.752 30.644 13.521 1.00 39.85 O ATOM 430 CB ARG A 586 22.026 30.420 15.513 1.00 34.89 C ATOM 431 CG ARG A 586 23.260 30.426 14.655 1.00 45.01 C ATOM 432 CD ARG A 586 24.102 29.192 14.854 1.00 41.27 C ATOM 433 NE ARG A 586 25.098 29.050 13.791 1.00 51.47 N ATOM 434 CZ ARG A 586 26.403 28.866 13.999 1.00 66.72 C ATOM 435 NH1 ARG A 586 26.874 28.798 15.238 1.00 70.03 N ATOM 436 NH2 ARG A 586 27.242 28.749 12.970 1.00 63.40 N ATOM 437 HE ARG A 586 24.766 29.096 12.807 1.00 0.00 H ATOM 438 HH12 ARG A 586 27.891 28.655 15.400 1.00 0.00 H ATOM 439 HH11 ARG A 586 26.226 28.888 16.046 1.00 0.00 H ATOM 440 HH22 ARG A 586 28.258 28.606 13.141 1.00 0.00 H ATOM 441 HH21 ARG A 586 26.881 28.801 11.996 1.00 0.00 H ATOM 442 H ARG A 586 19.225 30.975 16.116 1.00 0.00 H ATOM 443 N GLY A 587 21.071 32.359 12.932 1.00 46.40 N ATOM 444 CA GLY A 587 20.755 32.218 11.522 1.00 45.53 C ATOM 445 C GLY A 587 21.504 33.173 10.619 1.00 44.55 C ATOM 446 O GLY A 587 22.194 34.073 11.083 1.00 47.34 O ATOM 447 H GLY A 587 21.681 33.139 13.251 1.00 0.00 H ATOM 448 N ALA A 588 21.349 32.967 9.318 1.00 40.32 N ATOM 449 CA ALA A 588 22.058 33.731 8.302 1.00 35.82 C ATOM 450 C ALA A 588 21.886 35.229 8.434 1.00 40.40 C ATOM 451 O ALA A 588 20.779 35.731 8.662 1.00 38.74 O ATOM 452 CB ALA A 588 21.619 33.292 6.925 1.00 26.04 C ATOM 453 H ALA A 588 20.690 32.224 9.009 1.00 0.00 H ATOM 454 N LYS A 589 23.002 35.929 8.281 1.00 49.97 N ATOM 455 CA LYS A 589 23.003 37.378 8.173 1.00 60.00 C ATOM 456 C LYS A 589 22.593 37.751 6.756 1.00 56.31 C ATOM 457 O LYS A 589 23.124 37.204 5.793 1.00 60.68 O ATOM 458 CB LYS A 589 24.398 37.929 8.476 1.00 55.47 C ATOM 459 CG LYS A 589 25.013 37.313 9.708 1.00 58.80 C ATOM 460 CD LYS A 589 26.428 37.780 9.929 1.00 59.71 C ATOM 461 CE LYS A 589 26.461 39.183 10.480 1.00 62.71 C ATOM 462 NZ LYS A 589 27.866 39.677 10.583 1.00 63.92 N ATOM 463 HZ1 LYS A 589 28.406 39.054 11.217 1.00 0.00 H ATOM 464 HZ2 LYS A 589 28.303 39.676 9.639 1.00 0.00 H ATOM 465 HZ3 LYS A 589 27.865 40.644 10.965 1.00 0.00 H ATOM 466 H LYS A 589 23.909 35.422 8.237 1.00 0.00 H ATOM 467 N ALA A 590 21.646 38.678 6.642 1.00 56.53 N ATOM 468 CA ALA A 590 21.138 39.133 5.350 1.00 48.52 C ATOM 469 C ALA A 590 20.352 40.422 5.535 1.00 53.59 C ATOM 470 O ALA A 590 19.438 40.473 6.361 1.00 69.11 O ATOM 471 CB ALA A 590 20.255 38.075 4.733 1.00 33.65 C ATOM 472 H ALA A 590 21.251 39.096 7.508 1.00 0.00 H ATOM 473 N GLU A 591 20.712 41.455 4.774 1.00 54.57 N ATOM 474 CA GLU A 591 20.069 42.770 4.872 1.00 52.47 C ATOM 475 C GLU A 591 18.606 42.707 4.443 1.00 56.91 C ATOM 476 O GLU A 591 17.740 43.359 5.026 1.00 62.75 O ATOM 477 CB GLU A 591 20.795 43.808 4.009 1.00 53.95 C ATOM 478 CG GLU A 591 22.191 44.215 4.468 1.00 67.42 C ATOM 479 CD GLU A 591 22.732 45.401 3.669 1.00 90.16 C ATOM 480 OE1 GLU A 591 21.937 46.031 2.934 1.00 93.26 O ATOM 481 OE2 GLU A 591 23.946 45.702 3.766 1.00 98.74 O ATOM 482 H GLU A 591 21.479 41.324 4.084 1.00 0.00 H ATOM 483 N THR A 592 18.339 41.921 3.409 1.00 54.63 N ATOM 484 CA THR A 592 16.988 41.748 2.912 1.00 49.84 C ATOM 485 C THR A 592 16.715 40.256 2.855 1.00 45.53 C ATOM 486 O THR A 592 17.649 39.461 2.864 1.00 44.29 O ATOM 487 CB THR A 592 16.799 42.412 1.511 1.00 59.86 C ATOM 488 OG1 THR A 592 17.905 42.091 0.661 1.00 64.21 O ATOM 489 CG2 THR A 592 16.694 43.928 1.652 1.00 46.45 C ATOM 490 HG1 THR A 592 17.961 41.109 0.551 1.00 0.00 H ATOM 491 H THR A 592 19.119 41.415 2.942 1.00 0.00 H ATOM 492 N PRO A 593 15.435 39.866 2.826 1.00 40.32 N ATOM 493 CA PRO A 593 15.124 38.442 2.675 1.00 40.36 C ATOM 494 C PRO A 593 15.761 37.835 1.422 1.00 48.18 C ATOM 495 O PRO A 593 15.869 38.489 0.380 1.00 55.65 O ATOM 496 CB PRO A 593 13.590 38.423 2.581 1.00 33.61 C ATOM 497 CG PRO A 593 13.166 39.621 3.329 1.00 38.62 C ATOM 498 CD PRO A 593 14.221 40.676 3.028 1.00 38.94 C ATOM 499 N ILE A 594 16.200 36.592 1.557 1.00 44.86 N ATOM 500 CA ILE A 594 16.857 35.877 0.490 1.00 41.14 C ATOM 501 C ILE A 594 15.814 35.104 -0.291 1.00 51.97 C ATOM 502 O ILE A 594 15.435 33.998 0.091 1.00 60.05 O ATOM 503 CB ILE A 594 17.888 34.914 1.057 1.00 41.30 C ATOM 504 CG1 ILE A 594 18.785 35.670 2.052 1.00 48.16 C ATOM 505 CG2 ILE A 594 18.671 34.264 -0.075 1.00 32.54 C ATOM 506 CD1 ILE A 594 19.777 34.804 2.813 1.00 36.31 C ATOM 507 H ILE A 594 16.065 36.112 2.470 1.00 0.00 H ATOM 508 N GLU A 595 15.349 35.705 -1.383 1.00 53.32 N ATOM 509 CA GLU A 595 14.218 35.178 -2.128 1.00 53.70 C ATOM 510 C GLU A 595 14.472 33.758 -2.618 1.00 48.15 C ATOM 511 O GLU A 595 13.582 32.912 -2.562 1.00 42.68 O ATOM 512 CB GLU A 595 13.877 36.091 -3.307 1.00 54.01 C ATOM 513 H GLU A 595 15.808 36.578 -1.713 1.00 0.00 H ATOM 514 N GLU A 596 15.688 33.494 -3.082 1.00 44.36 N ATOM 515 CA GLU A 596 15.994 32.200 -3.675 1.00 43.62 C ATOM 516 C GLU A 596 16.160 31.093 -2.620 1.00 47.40 C ATOM 517 O GLU A 596 16.253 29.906 -2.981 1.00 43.17 O ATOM 518 CB GLU A 596 17.221 32.274 -4.596 1.00 38.32 C ATOM 519 CG GLU A 596 18.549 32.485 -3.887 1.00 56.64 C ATOM 520 CD GLU A 596 18.853 33.953 -3.584 1.00 71.27 C ATOM 521 OE1 GLU A 596 17.931 34.795 -3.621 1.00 74.36 O ATOM 522 OE2 GLU A 596 20.031 34.270 -3.312 1.00 76.93 O ATOM 523 H GLU A 596 16.430 34.220 -3.021 1.00 0.00 H ATOM 524 N PHE A 597 16.199 31.470 -1.336 1.00 30.68 N ATOM 525 CA PHE A 597 16.269 30.466 -0.285 1.00 31.53 C ATOM 526 C PHE A 597 15.152 29.467 -0.459 1.00 35.98 C ATOM 527 O PHE A 597 14.012 29.848 -0.673 1.00 38.10 O ATOM 528 CB PHE A 597 16.164 31.042 1.140 1.00 34.76 C ATOM 529 CG PHE A 597 16.030 29.962 2.197 1.00 29.55 C ATOM 530 CD1 PHE A 597 17.079 29.084 2.444 1.00 31.97 C ATOM 531 CD2 PHE A 597 14.844 29.777 2.890 1.00 35.25 C ATOM 532 CE1 PHE A 597 16.962 28.059 3.383 1.00 41.49 C ATOM 533 CE2 PHE A 597 14.720 28.752 3.842 1.00 32.63 C ATOM 534 CZ PHE A 597 15.780 27.895 4.089 1.00 37.39 C ATOM 535 H PHE A 597 16.179 32.480 -1.090 1.00 0.00 H ATOM 536 N THR A 598 15.486 28.188 -0.360 1.00 37.89 N ATOM 537 CA THR A 598 14.500 27.150 -0.580 1.00 36.32 C ATOM 538 C THR A 598 14.435 26.188 0.591 1.00 41.58 C ATOM 539 O THR A 598 15.367 25.406 0.808 1.00 40.18 O ATOM 540 CB THR A 598 14.809 26.375 -1.855 1.00 36.84 C ATOM 541 OG1 THR A 598 14.851 27.295 -2.947 1.00 52.92 O ATOM 542 CG2 THR A 598 13.729 25.357 -2.124 1.00 35.36 C ATOM 543 HG1 THR A 598 15.557 27.969 -2.782 1.00 0.00 H ATOM 544 H THR A 598 16.464 27.928 -0.122 1.00 0.00 H ATOM 545 N PRO A 599 13.327 26.244 1.350 1.00 42.42 N ATOM 546 CA PRO A 599 13.131 25.341 2.490 1.00 37.08 C ATOM 547 C PRO A 599 13.208 23.890 2.048 1.00 40.20 C ATOM 548 O PRO A 599 12.648 23.504 1.023 1.00 46.00 O ATOM 549 CB PRO A 599 11.704 25.665 2.972 1.00 28.46 C ATOM 550 CG PRO A 599 11.433 27.039 2.489 1.00 38.08 C ATOM 551 CD PRO A 599 12.186 27.162 1.167 1.00 43.37 C ATOM 552 N THR A 600 13.943 23.107 2.817 1.00 36.64 N ATOM 553 CA THR A 600 14.015 21.678 2.628 1.00 37.27 C ATOM 554 C THR A 600 13.530 21.019 3.925 1.00 47.99 C ATOM 555 O THR A 600 13.386 21.689 4.969 1.00 43.36 O ATOM 556 CB THR A 600 15.451 21.261 2.284 1.00 40.56 C ATOM 557 OG1 THR A 600 16.335 21.683 3.323 1.00 36.22 O ATOM 558 CG2 THR A 600 15.886 21.915 0.972 1.00 46.24 C ATOM 559 HG1 THR A 600 16.291 22.668 3.413 1.00 0.00 H ATOM 560 H THR A 600 14.491 23.537 3.589 1.00 0.00 H ATOM 561 N PRO A 601 13.221 19.720 3.859 1.00 41.13 N ATOM 562 CA PRO A 601 12.777 19.005 5.060 1.00 37.85 C ATOM 563 C PRO A 601 13.792 19.111 6.189 1.00 37.96 C ATOM 564 O PRO A 601 13.428 19.195 7.363 1.00 36.87 O ATOM 565 CB PRO A 601 12.686 17.557 4.579 1.00 46.30 C ATOM 566 CG PRO A 601 12.344 17.670 3.115 1.00 36.95 C ATOM 567 CD PRO A 601 13.069 18.909 2.639 1.00 35.52 C ATOM 568 N ALA A 602 15.066 19.119 5.833 1.00 40.32 N ATOM 569 CA ALA A 602 16.101 19.128 6.846 1.00 42.59 C ATOM 570 C ALA A 602 16.350 20.542 7.344 1.00 43.35 C ATOM 571 O ALA A 602 16.859 20.739 8.445 1.00 38.12 O ATOM 572 CB ALA A 602 17.377 18.524 6.286 1.00 35.31 C ATOM 573 H ALA A 602 15.324 19.119 4.826 1.00 0.00 H ATOM 574 N PHE A 603 15.999 21.522 6.518 1.00 42.36 N ATOM 575 CA PHE A 603 16.278 22.917 6.838 1.00 39.13 C ATOM 576 C PHE A 603 15.173 23.821 6.314 1.00 47.44 C ATOM 577 O PHE A 603 15.276 24.384 5.223 1.00 44.63 O ATOM 578 CB PHE A 603 17.623 23.328 6.259 1.00 33.16 C ATOM 579 CG PHE A 603 18.199 24.576 6.870 1.00 37.03 C ATOM 580 CD1 PHE A 603 18.014 25.814 6.258 1.00 31.83 C ATOM 581 CD2 PHE A 603 18.956 24.511 8.046 1.00 34.28 C ATOM 582 CE1 PHE A 603 18.560 26.978 6.816 1.00 41.20 C ATOM 583 CE2 PHE A 603 19.503 25.663 8.610 1.00 42.24 C ATOM 584 CZ PHE A 603 19.303 26.905 7.996 1.00 44.17 C ATOM 585 H PHE A 603 15.516 21.290 5.627 1.00 0.00 H ATOM 586 N PRO A 604 14.108 23.967 7.109 1.00 48.73 N ATOM 587 CA PRO A 604 12.888 24.679 6.722 1.00 42.50 C ATOM 588 C PRO A 604 13.064 26.197 6.617 1.00 35.18 C ATOM 589 O PRO A 604 12.297 26.831 5.906 1.00 38.89 O ATOM 590 CB PRO A 604 11.907 24.346 7.872 1.00 40.34 C ATOM 591 CG PRO A 604 12.516 23.201 8.610 1.00 38.52 C ATOM 592 CD PRO A 604 13.987 23.337 8.439 1.00 43.77 C ATOM 593 N ALA A 605 14.038 26.774 7.309 1.00 30.84 N ATOM 594 CA ALA A 605 14.080 28.229 7.454 1.00 32.62 C ATOM 595 C ALA A 605 15.426 28.710 7.934 1.00 35.83 C ATOM 596 O ALA A 605 16.235 27.917 8.397 1.00 38.10 O ATOM 597 CB ALA A 605 12.997 28.701 8.405 1.00 37.88 C ATOM 598 H ALA A 605 14.776 26.189 7.751 1.00 0.00 H ATOM 599 N LEU A 606 15.655 30.017 7.841 1.00 40.18 N ATOM 600 CA LEU A 606 16.985 30.574 8.098 1.00 39.15 C ATOM 601 C LEU A 606 17.353 30.685 9.577 1.00 38.74 C ATOM 602 O LEU A 606 18.507 30.466 9.944 1.00 42.35 O ATOM 603 CB LEU A 606 17.139 31.945 7.435 1.00 35.88 C ATOM 604 CG LEU A 606 17.138 31.976 5.903 1.00 36.76 C ATOM 605 CD1 LEU A 606 17.480 33.375 5.426 1.00 28.47 C ATOM 606 CD2 LEU A 606 18.118 30.962 5.342 1.00 27.60 C ATOM 607 H LEU A 606 14.876 30.655 7.581 1.00 0.00 H ATOM 608 N GLN A 607 16.389 31.053 10.418 1.00 38.78 N ATOM 609 CA GLN A 607 16.689 31.295 11.832 1.00 39.51 C ATOM 610 C GLN A 607 16.197 30.152 12.703 1.00 33.64 C ATOM 611 O GLN A 607 15.054 29.719 12.609 1.00 37.60 O ATOM 612 CB GLN A 607 16.128 32.631 12.307 1.00 32.33 C ATOM 613 CG GLN A 607 16.342 33.787 11.334 1.00 43.17 C ATOM 614 CD GLN A 607 17.808 34.124 11.101 1.00 46.54 C ATOM 615 OE1 GLN A 607 18.603 34.158 12.037 1.00 41.62 O ATOM 616 NE2 GLN A 607 18.166 34.398 9.843 1.00 48.14 N ATOM 617 HE22 GLN A 607 17.460 34.357 9.081 1.00 0.00 H ATOM 618 HE21 GLN A 607 19.151 34.652 9.626 1.00 0.00 H ATOM 619 H GLN A 607 15.416 31.170 10.069 1.00 0.00 H ATOM 620 N TYR A 608 17.087 29.648 13.535 1.00 26.76 N ATOM 621 CA TYR A 608 16.762 28.509 14.369 1.00 32.38 C ATOM 622 C TYR A 608 17.253 28.728 15.798 1.00 40.12 C ATOM 623 O TYR A 608 18.113 29.580 16.071 1.00 42.06 O ATOM 624 CB TYR A 608 17.344 27.223 13.773 1.00 34.58 C ATOM 625 CG TYR A 608 18.819 27.313 13.438 1.00 32.48 C ATOM 626 CD1 TYR A 608 19.778 26.907 14.352 1.00 28.77 C ATOM 627 CD2 TYR A 608 19.254 27.811 12.200 1.00 40.49 C ATOM 628 CE1 TYR A 608 21.140 26.990 14.059 1.00 36.83 C ATOM 629 CE2 TYR A 608 20.616 27.904 11.896 1.00 36.21 C ATOM 630 CZ TYR A 608 21.551 27.488 12.836 1.00 43.06 C ATOM 631 OH TYR A 608 22.895 27.561 12.563 1.00 52.12 O ATOM 632 HH TYR A 608 23.144 28.503 12.385 1.00 0.00 H ATOM 633 H TYR A 608 18.034 30.073 13.593 1.00 0.00 H ATOM 634 N LEU A 609 16.686 27.961 16.713 1.00 38.85 N ATOM 635 CA LEU A 609 17.048 28.074 18.111 1.00 43.49 C ATOM 636 C LEU A 609 18.308 27.253 18.363 1.00 46.79 C ATOM 637 O LEU A 609 18.279 26.027 18.303 1.00 46.41 O ATOM 638 CB LEU A 609 15.898 27.576 18.989 1.00 46.35 C ATOM 639 CG LEU A 609 14.556 28.269 18.772 1.00 39.93 C ATOM 640 CD1 LEU A 609 13.560 27.791 19.813 1.00 42.71 C ATOM 641 CD2 LEU A 609 14.734 29.778 18.836 1.00 32.17 C ATOM 642 H LEU A 609 15.969 27.265 16.425 1.00 0.00 H ATOM 643 N GLU A 610 19.424 27.916 18.633 1.00 46.70 N ATOM 644 CA GLU A 610 20.656 27.168 18.832 1.00 48.95 C ATOM 645 C GLU A 610 20.747 26.558 20.235 1.00 49.62 C ATOM 646 O GLU A 610 21.503 25.613 20.465 1.00 50.56 O ATOM 647 CB GLU A 610 21.877 28.021 18.525 1.00 48.16 C ATOM 648 CG GLU A 610 23.133 27.198 18.421 1.00 65.16 C ATOM 649 CD GLU A 610 24.340 28.039 18.142 1.00 82.01 C ATOM 650 OE1 GLU A 610 25.256 27.547 17.447 1.00 79.89 O ATOM 651 OE2 GLU A 610 24.370 29.191 18.623 1.00 94.60 O ATOM 652 H GLU A 610 19.419 28.954 18.701 1.00 0.00 H ATOM 653 N SER A 611 19.977 27.111 21.164 1.00 51.44 N ATOM 654 CA SER A 611 19.827 26.522 22.491 1.00 54.39 C ATOM 655 C SER A 611 18.591 27.105 23.171 1.00 52.09 C ATOM 656 O SER A 611 18.154 28.209 22.838 1.00 48.81 O ATOM 657 CB SER A 611 21.061 26.793 23.340 1.00 48.14 C ATOM 658 OG SER A 611 21.123 28.166 23.670 1.00 54.54 O ATOM 659 HG SER A 611 20.313 28.419 24.179 1.00 0.00 H ATOM 660 H SER A 611 19.466 27.989 20.940 1.00 0.00 H ATOM 661 N VAL A 612 18.011 26.345 24.094 1.00 45.72 N ATOM 662 CA VAL A 612 16.909 26.835 24.915 1.00 49.79 C ATOM 663 C VAL A 612 17.166 26.563 26.410 1.00 55.88 C ATOM 664 O VAL A 612 17.403 25.412 26.813 1.00 42.95 O ATOM 665 CB VAL A 612 15.565 26.186 24.530 1.00 43.67 C ATOM 666 CG1 VAL A 612 14.437 26.729 25.424 1.00 42.05 C ATOM 667 CG2 VAL A 612 15.258 26.420 23.080 1.00 34.71 C ATOM 668 H VAL A 612 18.352 25.373 24.235 1.00 0.00 H ATOM 669 N ASP A 613 17.120 27.626 27.217 1.00 57.60 N ATOM 670 CA ASP A 613 17.273 27.509 28.664 1.00 66.56 C ATOM 671 C ASP A 613 16.179 26.640 29.237 1.00 63.42 C ATOM 672 O ASP A 613 14.991 26.959 29.122 1.00 59.27 O ATOM 673 CB ASP A 613 17.234 28.874 29.354 1.00 82.97 C ATOM 674 CG ASP A 613 18.473 29.696 29.087 1.00 97.45 C ATOM 675 OD1 ASP A 613 19.438 29.148 28.511 1.00106.41 O ATOM 676 OD2 ASP A 613 18.484 30.887 29.459 1.00 98.01 O ATOM 677 H ASP A 613 16.970 28.567 26.801 1.00 0.00 H ATOM 678 N VAL A 614 16.595 25.532 29.835 1.00 58.46 N ATOM 679 CA VAL A 614 15.683 24.611 30.485 1.00 46.79 C ATOM 680 C VAL A 614 14.950 25.374 31.578 1.00 49.62 C ATOM 681 O VAL A 614 15.563 26.152 32.313 1.00 54.16 O ATOM 682 CB VAL A 614 16.459 23.399 31.037 1.00 55.31 C ATOM 683 CG1 VAL A 614 15.789 22.813 32.279 1.00 55.56 C ATOM 684 CG2 VAL A 614 16.636 22.354 29.938 1.00 54.12 C ATOM 685 H VAL A 614 17.612 25.316 29.838 1.00 0.00 H ATOM 686 N GLU A 615 13.631 25.184 31.638 1.00 59.12 N ATOM 687 CA GLU A 615 12.745 25.868 32.595 1.00 70.72 C ATOM 688 C GLU A 615 12.830 27.397 32.536 1.00 65.65 C ATOM 689 O GLU A 615 12.535 28.087 33.518 1.00 72.93 O ATOM 690 CB GLU A 615 12.947 25.354 34.040 1.00 72.94 C ATOM 691 H GLU A 615 13.203 24.513 30.969 1.00 0.00 H ATOM 692 N GLY A 616 13.247 27.916 31.387 1.00 60.38 N ATOM 693 CA GLY A 616 13.161 29.336 31.114 1.00 41.13 C ATOM 694 C GLY A 616 11.848 29.567 30.392 1.00 48.11 C ATOM 695 O GLY A 616 11.099 28.622 30.130 1.00 43.55 O ATOM 696 H GLY A 616 13.646 27.285 30.663 1.00 0.00 H ATOM 697 N VAL A 617 11.571 30.817 30.051 1.00 48.97 N ATOM 698 CA VAL A 617 10.276 31.180 29.487 1.00 49.85 C ATOM 699 C VAL A 617 9.939 30.405 28.210 1.00 48.28 C ATOM 700 O VAL A 617 8.829 29.904 28.054 1.00 52.84 O ATOM 701 CB VAL A 617 10.168 32.709 29.267 1.00 47.95 C ATOM 702 CG1 VAL A 617 8.942 33.048 28.425 1.00 42.44 C ATOM 703 CG2 VAL A 617 10.135 33.444 30.631 1.00 38.85 C ATOM 704 H VAL A 617 12.292 31.554 30.188 1.00 0.00 H ATOM 705 N ALA A 618 10.910 30.268 27.321 1.00 40.56 N ATOM 706 CA ALA A 618 10.660 29.615 26.037 1.00 42.94 C ATOM 707 C ALA A 618 10.436 28.127 26.245 1.00 42.22 C ATOM 708 O ALA A 618 9.562 27.505 25.620 1.00 37.16 O ATOM 709 CB ALA A 618 11.831 29.856 25.072 1.00 43.28 C ATOM 710 H ALA A 618 11.861 30.629 27.538 1.00 0.00 H ATOM 711 N TRP A 619 11.242 27.557 27.129 1.00 40.89 N ATOM 712 CA TRP A 619 11.119 26.146 27.430 1.00 40.14 C ATOM 713 C TRP A 619 9.733 25.822 27.947 1.00 44.17 C ATOM 714 O TRP A 619 9.131 24.826 27.540 1.00 50.26 O ATOM 715 CB TRP A 619 12.127 25.747 28.475 1.00 47.00 C ATOM 716 CG TRP A 619 11.991 24.332 28.868 1.00 55.67 C ATOM 717 CD1 TRP A 619 11.175 23.806 29.845 1.00 58.59 C ATOM 718 CD2 TRP A 619 12.695 23.239 28.302 1.00 55.52 C ATOM 719 NE1 TRP A 619 11.339 22.447 29.910 1.00 59.72 N ATOM 720 CE2 TRP A 619 12.272 22.073 28.980 1.00 60.71 C ATOM 721 CE3 TRP A 619 13.655 23.132 27.294 1.00 47.91 C ATOM 722 CZ2 TRP A 619 12.772 20.817 28.673 1.00 64.54 C ATOM 723 CZ3 TRP A 619 14.159 21.887 27.001 1.00 55.50 C ATOM 724 CH2 TRP A 619 13.714 20.742 27.682 1.00 64.96 C ATOM 725 HE1 TRP A 619 10.838 21.806 30.558 1.00 0.00 H ATOM 726 H TRP A 619 11.967 28.127 27.610 1.00 0.00 H ATOM 727 N ARG A 620 9.237 26.666 28.851 1.00 44.78 N ATOM 728 CA ARG A 620 7.931 26.457 29.458 1.00 45.49 C ATOM 729 C ARG A 620 6.856 26.556 28.388 1.00 50.91 C ATOM 730 O ARG A 620 5.863 25.821 28.411 1.00 49.37 O ATOM 731 CB ARG A 620 7.691 27.454 30.596 1.00 49.37 C ATOM 732 CG ARG A 620 7.972 26.880 31.992 1.00 59.99 C ATOM 733 CD ARG A 620 9.025 27.679 32.755 1.00 68.57 C ATOM 734 NE ARG A 620 8.645 29.086 32.896 1.00 78.01 N ATOM 735 CZ ARG A 620 9.479 30.065 33.246 1.00 71.40 C ATOM 736 NH1 ARG A 620 10.758 29.799 33.490 1.00 55.64 N ATOM 737 NH2 ARG A 620 9.032 31.314 33.350 1.00 71.50 N ATOM 738 HE ARG A 620 7.654 29.340 32.710 1.00 0.00 H ATOM 739 HH12 ARG A 620 11.406 30.566 33.763 1.00 0.00 H ATOM 740 HH11 ARG A 620 11.111 28.824 33.408 1.00 0.00 H ATOM 741 HH22 ARG A 620 9.683 32.078 33.623 1.00 0.00 H ATOM 742 HH21 ARG A 620 8.032 31.526 33.158 1.00 0.00 H ATOM 743 H ARG A 620 9.798 27.496 29.130 1.00 0.00 H ATOM 744 N ALA A 621 7.091 27.443 27.423 1.00 50.34 N ATOM 745 CA ALA A 621 6.176 27.644 26.304 1.00 44.72 C ATOM 746 C ALA A 621 6.263 26.528 25.245 1.00 47.13 C ATOM 747 O ALA A 621 5.487 26.504 24.292 1.00 47.86 O ATOM 748 CB ALA A 621 6.406 29.024 25.672 1.00 42.41 C ATOM 749 H ALA A 621 7.959 28.014 27.468 1.00 0.00 H ATOM 750 N GLY A 622 7.198 25.602 25.406 1.00 44.11 N ATOM 751 CA GLY A 622 7.222 24.437 24.540 1.00 48.05 C ATOM 752 C GLY A 622 8.317 24.446 23.489 1.00 43.26 C ATOM 753 O GLY A 622 8.478 23.495 22.738 1.00 42.39 O ATOM 754 H GLY A 622 7.914 25.710 26.152 1.00 0.00 H ATOM 755 N LEU A 623 9.075 25.529 23.442 1.00 37.80 N ATOM 756 CA LEU A 623 10.210 25.617 22.545 1.00 35.17 C ATOM 757 C LEU A 623 11.368 24.683 22.927 1.00 46.70 C ATOM 758 O LEU A 623 11.657 24.433 24.117 1.00 40.62 O ATOM 759 CB LEU A 623 10.690 27.055 22.474 1.00 30.93 C ATOM 760 CG LEU A 623 9.618 28.002 21.935 1.00 32.10 C ATOM 761 CD1 LEU A 623 10.137 29.418 21.974 1.00 24.97 C ATOM 762 CD2 LEU A 623 9.174 27.609 20.498 1.00 47.37 C ATOM 763 H LEU A 623 8.852 26.334 24.062 1.00 0.00 H ATOM 764 N ARG A 624 12.031 24.161 21.904 1.00 41.81 N ATOM 765 CA ARG A 624 13.145 23.251 22.120 1.00 44.36 C ATOM 766 C ARG A 624 14.306 23.638 21.222 1.00 38.87 C ATOM 767 O ARG A 624 14.126 24.352 20.240 1.00 44.85 O ATOM 768 CB ARG A 624 12.713 21.796 21.893 1.00 38.07 C ATOM 769 CG ARG A 624 11.638 21.301 22.884 1.00 42.75 C ATOM 770 CD ARG A 624 12.217 21.058 24.291 1.00 46.95 C ATOM 771 NE ARG A 624 11.200 20.610 25.245 1.00 49.17 N ATOM 772 CZ ARG A 624 10.376 21.423 25.912 1.00 51.00 C ATOM 773 NH1 ARG A 624 10.433 22.746 25.748 1.00 40.35 N ATOM 774 NH2 ARG A 624 9.482 20.910 26.743 1.00 42.86 N ATOM 775 HE ARG A 624 11.113 19.588 25.415 1.00 0.00 H ATOM 776 HH12 ARG A 624 9.784 23.364 26.276 1.00 0.00 H ATOM 777 HH11 ARG A 624 11.127 23.159 25.093 1.00 0.00 H ATOM 778 HH22 ARG A 624 8.838 21.537 27.265 1.00 0.00 H ATOM 779 HH21 ARG A 624 9.424 19.880 26.873 1.00 0.00 H ATOM 780 H ARG A 624 11.750 24.406 20.933 1.00 0.00 H ATOM 781 N THR A 625 15.501 23.190 21.583 1.00 35.06 N ATOM 782 CA THR A 625 16.687 23.464 20.795 1.00 40.41 C ATOM 783 C THR A 625 16.473 22.924 19.373 1.00 45.39 C ATOM 784 O THR A 625 15.919 21.841 19.191 1.00 41.94 O ATOM 785 CB THR A 625 17.932 22.812 21.443 1.00 49.93 C ATOM 786 OG1 THR A 625 18.114 23.331 22.769 1.00 57.60 O ATOM 787 CG2 THR A 625 19.173 23.096 20.621 1.00 46.74 C ATOM 788 HG1 THR A 625 17.314 23.127 23.315 1.00 0.00 H ATOM 789 H THR A 625 15.590 22.628 22.453 1.00 0.00 H ATOM 790 N GLY A 626 16.874 23.692 18.364 1.00 43.55 N ATOM 791 CA GLY A 626 16.727 23.255 16.984 1.00 38.91 C ATOM 792 C GLY A 626 15.429 23.630 16.271 1.00 45.50 C ATOM 793 O GLY A 626 15.250 23.274 15.108 1.00 45.51 O ATOM 794 H GLY A 626 17.299 24.620 18.565 1.00 0.00 H ATOM 795 N ASP A 627 14.519 24.327 16.952 1.00 44.48 N ATOM 796 CA ASP A 627 13.272 24.756 16.317 1.00 36.54 C ATOM 797 C ASP A 627 13.560 25.836 15.280 1.00 42.30 C ATOM 798 O ASP A 627 14.353 26.749 15.513 1.00 46.54 O ATOM 799 CB ASP A 627 12.272 25.314 17.335 1.00 37.38 C ATOM 800 CG ASP A 627 11.613 24.234 18.187 1.00 51.47 C ATOM 801 OD1 ASP A 627 11.712 23.039 17.848 1.00 53.43 O ATOM 802 OD2 ASP A 627 10.977 24.592 19.204 1.00 53.73 O ATOM 803 H ASP A 627 14.698 24.569 17.948 1.00 0.00 H ATOM 804 N PHE A 628 12.897 25.729 14.138 1.00 34.20 N ATOM 805 CA PHE A 628 13.042 26.709 13.092 1.00 35.48 C ATOM 806 C PHE A 628 11.940 27.745 13.167 1.00 39.71 C ATOM 807 O PHE A 628 10.758 27.413 13.208 1.00 44.12 O ATOM 808 CB PHE A 628 13.055 26.018 11.724 1.00 38.38 C ATOM 809 CG PHE A 628 14.246 25.127 11.516 1.00 33.59 C ATOM 810 CD1 PHE A 628 14.207 23.796 11.890 1.00 35.47 C ATOM 811 CD2 PHE A 628 15.409 25.629 10.977 1.00 31.83 C ATOM 812 CE1 PHE A 628 15.306 22.967 11.701 1.00 33.45 C ATOM 813 CE2 PHE A 628 16.503 24.814 10.778 1.00 32.67 C ATOM 814 CZ PHE A 628 16.450 23.472 11.147 1.00 32.82 C ATOM 815 H PHE A 628 12.259 24.921 13.994 1.00 0.00 H ATOM 816 N LEU A 629 12.339 29.010 13.172 1.00 32.75 N ATOM 817 CA LEU A 629 11.388 30.108 13.211 1.00 28.77 C ATOM 818 C LEU A 629 10.675 30.325 11.874 1.00 41.33 C ATOM 819 O LEU A 629 11.317 30.487 10.817 1.00 36.47 O ATOM 820 CB LEU A 629 12.085 31.375 13.674 1.00 29.56 C ATOM 821 CG LEU A 629 12.196 31.466 15.203 1.00 40.66 C ATOM 822 CD1 LEU A 629 13.216 30.478 15.747 1.00 34.03 C ATOM 823 CD2 LEU A 629 12.517 32.905 15.653 1.00 40.75 C ATOM 824 H LEU A 629 13.357 29.221 13.147 1.00 0.00 H ATOM 825 N ILE A 630 9.343 30.304 11.927 1.00 39.75 N ATOM 826 CA ILE A 630 8.516 30.476 10.731 1.00 40.25 C ATOM 827 C ILE A 630 7.835 31.837 10.704 1.00 43.68 C ATOM 828 O ILE A 630 7.849 32.530 9.682 1.00 46.49 O ATOM 829 CB ILE A 630 7.440 29.373 10.607 1.00 35.83 C ATOM 830 CG1 ILE A 630 8.100 28.000 10.554 1.00 43.96 C ATOM 831 CG2 ILE A 630 6.590 29.577 9.361 1.00 25.77 C ATOM 832 CD1 ILE A 630 9.180 27.894 9.532 1.00 42.67 C ATOM 833 H ILE A 630 8.877 30.161 12.846 1.00 0.00 H ATOM 834 N GLU A 631 7.225 32.199 11.831 1.00 38.73 N ATOM 835 CA GLU A 631 6.537 33.469 11.966 1.00 36.59 C ATOM 836 C GLU A 631 6.834 34.080 13.345 1.00 49.69 C ATOM 837 O GLU A 631 6.907 33.376 14.344 1.00 45.48 O ATOM 838 CB GLU A 631 5.042 33.262 11.765 1.00 35.79 C ATOM 839 CG GLU A 631 4.210 34.540 11.732 1.00 49.86 C ATOM 840 CD GLU A 631 2.723 34.273 11.483 1.00 64.46 C ATOM 841 OE1 GLU A 631 2.323 34.180 10.297 1.00 74.51 O ATOM 842 OE2 GLU A 631 1.957 34.162 12.467 1.00 61.60 O ATOM 843 H GLU A 631 7.242 31.549 12.642 1.00 0.00 H ATOM 844 N VAL A 632 7.034 35.392 13.376 1.00 58.23 N ATOM 845 CA VAL A 632 7.337 36.121 14.601 1.00 49.80 C ATOM 846 C VAL A 632 6.435 37.341 14.656 1.00 49.06 C ATOM 847 O VAL A 632 6.547 38.220 13.816 1.00 56.64 O ATOM 848 CB VAL A 632 8.798 36.599 14.617 1.00 41.40 C ATOM 849 CG1 VAL A 632 9.040 37.558 15.779 1.00 42.41 C ATOM 850 CG2 VAL A 632 9.753 35.403 14.657 1.00 31.71 C ATOM 851 H VAL A 632 6.972 35.924 12.485 1.00 0.00 H ATOM 852 N ASN A 633 5.535 37.374 15.637 1.00 44.22 N ATOM 853 CA ASN A 633 4.517 38.423 15.753 1.00 46.09 C ATOM 854 C ASN A 633 3.786 38.739 14.448 1.00 54.26 C ATOM 855 O ASN A 633 3.693 39.900 14.033 1.00 57.43 O ATOM 856 CB ASN A 633 5.115 39.695 16.357 1.00 52.87 C ATOM 857 CG ASN A 633 5.836 39.427 17.666 1.00 55.90 C ATOM 858 OD1 ASN A 633 5.541 38.454 18.362 1.00 51.55 O ATOM 859 ND2 ASN A 633 6.791 40.284 18.001 1.00 59.81 N ATOM 860 HD22 ASN A 633 7.006 41.092 17.382 1.00 0.00 H ATOM 861 HD21 ASN A 633 7.325 40.148 18.883 1.00 0.00 H ATOM 862 H ASN A 633 5.555 36.621 16.354 1.00 0.00 H ATOM 863 N GLY A 634 3.272 37.700 13.801 1.00 51.63 N ATOM 864 CA GLY A 634 2.518 37.881 12.576 1.00 58.70 C ATOM 865 C GLY A 634 3.359 38.236 11.360 1.00 59.28 C ATOM 866 O GLY A 634 2.818 38.606 10.321 1.00 57.91 O ATOM 867 H GLY A 634 3.412 36.741 14.179 1.00 0.00 H ATOM 868 N VAL A 635 4.680 38.126 11.478 1.00 52.17 N ATOM 869 CA VAL A 635 5.548 38.349 10.325 1.00 44.87 C ATOM 870 C VAL A 635 6.265 37.075 9.884 1.00 49.52 C ATOM 871 O VAL A 635 6.956 36.439 10.680 1.00 55.74 O ATOM 872 CB VAL A 635 6.594 39.433 10.608 1.00 47.80 C ATOM 873 CG1 VAL A 635 7.600 39.492 9.480 1.00 46.82 C ATOM 874 CG2 VAL A 635 5.920 40.783 10.777 1.00 49.19 C ATOM 875 H VAL A 635 5.097 37.879 12.398 1.00 0.00 H ATOM 876 N ASN A 636 6.099 36.708 8.614 1.00 39.11 N ATOM 877 CA ASN A 636 6.822 35.571 8.056 1.00 38.74 C ATOM 878 C ASN A 636 8.339 35.799 8.041 1.00 41.47 C ATOM 879 O ASN A 636 8.809 36.802 7.521 1.00 36.67 O ATOM 880 CB ASN A 636 6.335 35.251 6.641 1.00 38.08 C ATOM 881 CG ASN A 636 6.866 33.908 6.141 1.00 44.14 C ATOM 882 OD1 ASN A 636 8.075 33.716 5.998 1.00 44.78 O ATOM 883 ND2 ASN A 636 5.963 32.968 5.905 1.00 44.92 N ATOM 884 HD22 ASN A 636 4.952 33.173 6.039 1.00 0.00 H ATOM 885 HD21 ASN A 636 6.265 32.025 5.586 1.00 0.00 H ATOM 886 H ASN A 636 5.442 37.242 8.010 1.00 0.00 H ATOM 887 N VAL A 637 9.105 34.863 8.593 1.00 40.94 N ATOM 888 CA VAL A 637 10.543 35.089 8.783 1.00 38.45 C ATOM 889 C VAL A 637 11.403 33.953 8.228 1.00 37.70 C ATOM 890 O VAL A 637 12.636 33.931 8.418 1.00 29.59 O ATOM 891 CB VAL A 637 10.912 35.335 10.291 1.00 43.08 C ATOM 892 CG1 VAL A 637 10.300 36.630 10.804 1.00 31.27 C ATOM 893 CG2 VAL A 637 10.525 34.136 11.162 1.00 27.59 C ATOM 894 H VAL A 637 8.681 33.962 8.893 1.00 0.00 H ATOM 895 N VAL A 638 10.744 33.023 7.541 1.00 30.19 N ATOM 896 CA VAL A 638 11.415 31.897 6.900 1.00 30.69 C ATOM 897 C VAL A 638 12.673 32.297 6.150 1.00 28.36 C ATOM 898 O VAL A 638 13.715 31.655 6.299 1.00 34.48 O ATOM 899 CB VAL A 638 10.478 31.186 5.908 1.00 43.69 C ATOM 900 CG1 VAL A 638 11.236 30.051 5.149 1.00 28.12 C ATOM 901 CG2 VAL A 638 9.230 30.669 6.637 1.00 30.13 C ATOM 902 H VAL A 638 9.710 33.102 7.458 1.00 0.00 H ATOM 903 N LYS A 639 12.571 33.370 5.364 1.00 31.84 N ATOM 904 CA LYS A 639 13.655 33.795 4.473 1.00 38.43 C ATOM 905 C LYS A 639 14.384 35.021 4.993 1.00 45.99 C ATOM 906 O LYS A 639 15.237 35.583 4.299 1.00 49.08 O ATOM 907 CB LYS A 639 13.107 34.118 3.066 1.00 34.49 C ATOM 908 CG LYS A 639 12.534 32.924 2.340 1.00 34.76 C ATOM 909 CD LYS A 639 12.227 33.227 0.891 1.00 41.02 C ATOM 910 CE LYS A 639 11.805 31.958 0.148 1.00 44.96 C ATOM 911 NZ LYS A 639 11.467 32.175 -1.291 1.00 46.16 N ATOM 912 HZ1 LYS A 639 10.678 32.848 -1.363 1.00 0.00 H ATOM 913 HZ2 LYS A 639 12.297 32.558 -1.787 1.00 0.00 H ATOM 914 HZ3 LYS A 639 11.192 31.269 -1.722 1.00 0.00 H ATOM 915 H LYS A 639 11.691 33.925 5.384 1.00 0.00 H ATOM 916 N VAL A 640 14.037 35.444 6.202 1.00 43.87 N ATOM 917 CA VAL A 640 14.478 36.735 6.718 1.00 42.61 C ATOM 918 C VAL A 640 15.825 36.663 7.451 1.00 40.80 C ATOM 919 O VAL A 640 16.101 35.716 8.173 1.00 49.78 O ATOM 920 CB VAL A 640 13.375 37.367 7.605 1.00 44.83 C ATOM 921 CG1 VAL A 640 13.871 38.633 8.314 1.00 37.38 C ATOM 922 CG2 VAL A 640 12.127 37.672 6.760 1.00 40.50 C ATOM 923 H VAL A 640 13.435 34.839 6.797 1.00 0.00 H ATOM 924 N GLY A 641 16.666 37.666 7.237 1.00 45.93 N ATOM 925 CA GLY A 641 17.968 37.730 7.870 1.00 47.27 C ATOM 926 C GLY A 641 17.868 37.923 9.367 1.00 45.68 C ATOM 927 O GLY A 641 16.825 38.319 9.889 1.00 43.01 O ATOM 928 H GLY A 641 16.382 38.432 6.594 1.00 0.00 H ATOM 929 N HIS A 642 18.981 37.665 10.041 1.00 43.81 N ATOM 930 CA HIS A 642 19.044 37.584 11.494 1.00 41.21 C ATOM 931 C HIS A 642 18.714 38.895 12.195 1.00 44.16 C ATOM 932 O HIS A 642 17.863 38.939 13.093 1.00 51.89 O ATOM 933 CB HIS A 642 20.439 37.120 11.904 1.00 43.94 C ATOM 934 CG HIS A 642 20.579 36.803 13.360 1.00 52.25 C ATOM 935 ND1 HIS A 642 20.201 35.591 13.900 1.00 43.66 N ATOM 936 CD2 HIS A 642 21.084 37.531 14.384 1.00 51.36 C ATOM 937 CE1 HIS A 642 20.478 35.582 15.190 1.00 34.78 C ATOM 938 NE2 HIS A 642 21.013 36.748 15.510 1.00 46.81 N ATOM 939 H HIS A 642 19.857 37.512 9.502 1.00 0.00 H ATOM 940 N LYS A 643 19.393 39.958 11.788 1.00 40.44 N ATOM 941 CA LYS A 643 19.168 41.264 12.381 1.00 48.98 C ATOM 942 C LYS A 643 17.682 41.662 12.401 1.00 47.58 C ATOM 943 O LYS A 643 17.194 42.163 13.411 1.00 53.10 O ATOM 944 CB LYS A 643 20.023 42.332 11.687 1.00 44.56 C ATOM 945 H LYS A 643 20.099 39.855 11.031 1.00 0.00 H ATOM 946 N GLN A 644 16.965 41.414 11.307 1.00 50.44 N ATOM 947 CA GLN A 644 15.567 41.840 11.201 1.00 56.44 C ATOM 948 C GLN A 644 14.672 41.013 12.120 1.00 53.68 C ATOM 949 O GLN A 644 13.777 41.552 12.783 1.00 56.02 O ATOM 950 CB GLN A 644 15.036 41.766 9.757 1.00 52.20 C ATOM 951 CG GLN A 644 16.012 42.199 8.659 1.00 71.78 C ATOM 952 CD GLN A 644 15.520 41.800 7.261 1.00 84.88 C ATOM 953 OE1 GLN A 644 16.199 41.058 6.528 1.00 82.55 O ATOM 954 NE2 GLN A 644 14.326 42.281 6.893 1.00 76.68 N ATOM 955 HE22 GLN A 644 13.793 42.898 7.538 1.00 0.00 H ATOM 956 HE21 GLN A 644 13.932 42.037 5.962 1.00 0.00 H ATOM 957 H GLN A 644 17.406 40.908 10.512 1.00 0.00 H ATOM 958 N VAL A 645 14.911 39.705 12.150 1.00 43.29 N ATOM 959 CA VAL A 645 14.158 38.827 13.035 1.00 44.62 C ATOM 960 C VAL A 645 14.365 39.247 14.499 1.00 57.07 C ATOM 961 O VAL A 645 13.400 39.413 15.263 1.00 54.08 O ATOM 962 CB VAL A 645 14.586 37.381 12.878 1.00 39.52 C ATOM 963 CG1 VAL A 645 13.801 36.506 13.845 1.00 36.47 C ATOM 964 CG2 VAL A 645 14.385 36.922 11.443 1.00 39.50 C ATOM 965 H VAL A 645 15.646 39.304 11.533 1.00 0.00 H ATOM 966 N VAL A 646 15.630 39.420 14.874 1.00 46.94 N ATOM 967 CA VAL A 646 15.974 39.951 16.178 1.00 41.37 C ATOM 968 C VAL A 646 15.246 41.271 16.457 1.00 50.16 C ATOM 969 O VAL A 646 14.684 41.456 17.537 1.00 53.74 O ATOM 970 CB VAL A 646 17.490 40.141 16.320 1.00 41.11 C ATOM 971 CG1 VAL A 646 17.804 41.058 17.493 1.00 38.89 C ATOM 972 CG2 VAL A 646 18.163 38.790 16.509 1.00 45.40 C ATOM 973 H VAL A 646 16.393 39.167 14.213 1.00 0.00 H ATOM 974 N GLY A 647 15.236 42.174 15.480 1.00 53.38 N ATOM 975 CA GLY A 647 14.519 43.434 15.614 1.00 37.28 C ATOM 976 C GLY A 647 13.028 43.265 15.872 1.00 36.26 C ATOM 977 O GLY A 647 12.443 44.002 16.662 1.00 58.29 O ATOM 978 H GLY A 647 15.753 41.975 14.600 1.00 0.00 H ATOM 979 N LEU A 648 12.402 42.295 15.212 1.00 40.18 N ATOM 980 CA LEU A 648 10.987 42.005 15.455 1.00 49.28 C ATOM 981 C LEU A 648 10.752 41.498 16.876 1.00 55.40 C ATOM 982 O LEU A 648 9.813 41.927 17.555 1.00 60.74 O ATOM 983 CB LEU A 648 10.458 40.974 14.461 1.00 44.63 C ATOM 984 CG LEU A 648 10.382 41.416 12.997 1.00 50.20 C ATOM 985 CD1 LEU A 648 10.129 40.206 12.137 1.00 47.41 C ATOM 986 CD2 LEU A 648 9.299 42.476 12.764 1.00 41.61 C ATOM 987 H LEU A 648 12.926 41.733 14.511 1.00 0.00 H ATOM 988 N ILE A 649 11.608 40.581 17.316 1.00 49.65 N ATOM 989 CA ILE A 649 11.508 40.016 18.653 1.00 48.43 C ATOM 990 C ILE A 649 11.617 41.098 19.721 1.00 53.78 C ATOM 991 O ILE A 649 10.924 41.053 20.740 1.00 62.05 O ATOM 992 CB ILE A 649 12.579 38.943 18.872 1.00 47.63 C ATOM 993 CG1 ILE A 649 12.325 37.769 17.917 1.00 48.40 C ATOM 994 CG2 ILE A 649 12.596 38.491 20.328 1.00 37.92 C ATOM 995 CD1 ILE A 649 13.190 36.575 18.168 1.00 43.06 C ATOM 996 H ILE A 649 12.371 40.258 16.687 1.00 0.00 H ATOM 997 N ARG A 650 12.465 42.087 19.456 1.00 53.32 N ATOM 998 CA ARG A 650 12.704 43.170 20.391 1.00 54.31 C ATOM 999 C ARG A 650 11.588 44.202 20.391 1.00 54.58 C ATOM 1000 O ARG A 650 11.333 44.818 21.415 1.00 60.08 O ATOM 1001 CB ARG A 650 14.039 43.847 20.097 1.00 60.02 C ATOM 1002 CG ARG A 650 15.216 42.928 20.245 1.00 62.87 C ATOM 1003 CD ARG A 650 16.475 43.693 20.603 1.00 68.82 C ATOM 1004 NE ARG A 650 17.372 42.849 21.386 1.00 73.75 N ATOM 1005 CZ ARG A 650 18.646 42.629 21.084 1.00 72.47 C ATOM 1006 NH1 ARG A 650 19.182 43.207 20.019 1.00 68.97 N ATOM 1007 NH2 ARG A 650 19.386 41.836 21.851 1.00 71.84 N ATOM 1008 HE ARG A 650 16.988 42.390 22.236 1.00 0.00 H ATOM 1009 HH12 ARG A 650 20.180 43.036 19.781 1.00 0.00 H ATOM 1010 HH11 ARG A 650 18.605 43.832 19.421 1.00 0.00 H ATOM 1011 HH22 ARG A 650 20.384 41.665 21.612 1.00 0.00 H ATOM 1012 HH21 ARG A 650 18.968 41.386 22.690 1.00 0.00 H ATOM 1013 H ARG A 650 12.974 42.084 18.549 1.00 0.00 H ATOM 1014 N GLN A 651 10.934 44.400 19.247 1.00 54.02 N ATOM 1015 CA GLN A 651 9.801 45.326 19.173 1.00 56.70 C ATOM 1016 C GLN A 651 8.617 44.807 19.982 1.00 61.32 C ATOM 1017 O GLN A 651 7.770 45.587 20.425 1.00 62.30 O ATOM 1018 CB GLN A 651 9.342 45.537 17.733 1.00 61.97 C ATOM 1019 CG GLN A 651 10.276 46.344 16.862 1.00 79.39 C ATOM 1020 CD GLN A 651 9.896 46.235 15.396 1.00 88.04 C ATOM 1021 OE1 GLN A 651 8.713 46.273 15.049 1.00 87.93 O ATOM 1022 NE2 GLN A 651 10.896 46.067 14.531 1.00 86.25 N ATOM 1023 HE22 GLN A 651 11.879 46.041 14.871 1.00 0.00 H ATOM 1024 HE21 GLN A 651 10.694 45.961 13.516 1.00 0.00 H ATOM 1025 H GLN A 651 11.233 43.889 18.392 1.00 0.00 H ATOM 1026 N GLY A 652 8.560 43.488 20.160 1.00 56.89 N ATOM 1027 CA GLY A 652 7.494 42.852 20.915 1.00 57.24 C ATOM 1028 C GLY A 652 7.528 43.100 22.417 1.00 56.37 C ATOM 1029 O GLY A 652 6.504 43.000 23.086 1.00 50.44 O ATOM 1030 H GLY A 652 9.305 42.893 19.744 1.00 0.00 H ATOM 1031 N GLY A 653 8.700 43.432 22.952 1.00 63.36 N ATOM 1032 CA GLY A 653 8.834 43.703 24.374 1.00 57.24 C ATOM 1033 C GLY A 653 8.782 42.439 25.219 1.00 57.17 C ATOM 1034 O GLY A 653 9.598 41.527 25.043 1.00 59.33 O ATOM 1035 H GLY A 653 9.538 43.499 22.340 1.00 0.00 H ATOM 1036 N ASN A 654 7.816 42.366 26.129 1.00 46.94 N ATOM 1037 CA ASN A 654 7.699 41.185 26.990 1.00 53.56 C ATOM 1038 C ASN A 654 6.906 40.025 26.383 1.00 51.68 C ATOM 1039 O ASN A 654 6.938 38.904 26.885 1.00 50.21 O ATOM 1040 CB ASN A 654 7.175 41.567 28.372 1.00 44.23 C ATOM 1041 CG ASN A 654 8.179 42.375 29.147 1.00 52.61 C ATOM 1042 OD1 ASN A 654 9.367 42.365 28.825 1.00 57.94 O ATOM 1043 ND2 ASN A 654 7.720 43.075 30.189 1.00 54.09 N ATOM 1044 HD22 ASN A 654 6.707 43.054 30.424 1.00 0.00 H ATOM 1045 HD21 ASN A 654 8.376 43.641 30.765 1.00 0.00 H ATOM 1046 H ASN A 654 7.140 43.150 26.231 1.00 0.00 H ATOM 1047 N ARG A 655 6.218 40.297 25.286 1.00 53.29 N ATOM 1048 CA ARG A 655 5.433 39.273 24.622 1.00 53.23 C ATOM 1049 C ARG A 655 6.019 38.900 23.260 1.00 49.19 C ATOM 1050 O ARG A 655 6.421 39.768 22.491 1.00 54.35 O ATOM 1051 CB ARG A 655 3.987 39.748 24.478 1.00 55.04 C ATOM 1052 CG ARG A 655 3.046 38.707 23.930 1.00 50.21 C ATOM 1053 CD ARG A 655 1.618 39.182 24.025 1.00 62.61 C ATOM 1054 NE ARG A 655 0.694 38.247 23.396 1.00 68.33 N ATOM 1055 CZ ARG A 655 0.210 37.162 23.991 1.00 60.91 C ATOM 1056 NH1 ARG A 655 -0.624 36.371 23.335 1.00 62.40 N ATOM 1057 NH2 ARG A 655 0.564 36.868 25.234 1.00 54.68 N ATOM 1058 HE ARG A 655 0.394 38.441 22.419 1.00 0.00 H ATOM 1059 HH12 ARG A 655 -1.006 35.521 23.796 1.00 0.00 H ATOM 1060 HH11 ARG A 655 -0.898 36.600 22.358 1.00 0.00 H ATOM 1061 HH22 ARG A 655 0.183 36.018 25.696 1.00 0.00 H ATOM 1062 HH21 ARG A 655 1.223 37.488 25.747 1.00 0.00 H ATOM 1063 H ARG A 655 6.240 41.260 24.893 1.00 0.00 H ATOM 1064 N LEU A 656 6.066 37.601 22.980 1.00 39.32 N ATOM 1065 CA LEU A 656 6.542 37.083 21.707 1.00 36.40 C ATOM 1066 C LEU A 656 5.657 35.922 21.273 1.00 46.09 C ATOM 1067 O LEU A 656 5.486 34.953 22.023 1.00 47.42 O ATOM 1068 CB LEU A 656 7.994 36.606 21.820 1.00 34.68 C ATOM 1069 CG LEU A 656 8.492 35.753 20.634 1.00 36.68 C ATOM 1070 CD1 LEU A 656 8.463 36.517 19.322 1.00 36.69 C ATOM 1071 CD2 LEU A 656 9.890 35.204 20.883 1.00 31.04 C ATOM 1072 H LEU A 656 5.748 36.925 23.704 1.00 0.00 H ATOM 1073 N VAL A 657 5.089 36.017 20.072 1.00 37.99 N ATOM 1074 CA VAL A 657 4.231 34.948 19.566 1.00 43.31 C ATOM 1075 C VAL A 657 4.747 34.412 18.236 1.00 44.44 C ATOM 1076 O VAL A 657 4.874 35.144 17.253 1.00 46.35 O ATOM 1077 CB VAL A 657 2.744 35.361 19.500 1.00 55.32 C ATOM 1078 CG1 VAL A 657 2.608 36.856 19.347 1.00 70.03 C ATOM 1079 CG2 VAL A 657 2.016 34.606 18.400 1.00 45.58 C ATOM 1080 H VAL A 657 5.258 36.861 19.488 1.00 0.00 H ATOM 1081 N MET A 658 5.066 33.123 18.230 1.00 36.64 N ATOM 1082 CA MET A 658 5.812 32.526 17.137 1.00 41.64 C ATOM 1083 C MET A 658 5.208 31.246 16.613 1.00 43.90 C ATOM 1084 O MET A 658 4.706 30.432 17.386 1.00 54.68 O ATOM 1085 CB MET A 658 7.226 32.196 17.591 1.00 41.97 C ATOM 1086 CG MET A 658 8.099 33.391 17.788 1.00 46.26 C ATOM 1087 SD MET A 658 9.826 32.894 17.959 1.00 53.49 S ATOM 1088 CE MET A 658 9.739 31.705 19.291 1.00 44.83 C ATOM 1089 H MET A 658 4.774 32.525 19.029 1.00 0.00 H ATOM 1090 N LYS A 659 5.269 31.072 15.297 1.00 32.96 N ATOM 1091 CA LYS A 659 5.105 29.747 14.701 1.00 38.67 C ATOM 1092 C LYS A 659 6.508 29.207 14.441 1.00 40.73 C ATOM 1093 O LYS A 659 7.347 29.899 13.880 1.00 39.00 O ATOM 1094 CB LYS A 659 4.338 29.803 13.382 1.00 45.34 C ATOM 1095 CG LYS A 659 2.899 30.255 13.476 1.00 52.28 C ATOM 1096 CD LYS A 659 2.250 30.182 12.097 1.00 58.94 C ATOM 1097 CE LYS A 659 0.774 30.583 12.129 1.00 63.83 C ATOM 1098 NZ LYS A 659 0.070 30.302 10.837 1.00 57.49 N ATOM 1099 HZ1 LYS A 659 0.529 30.835 10.071 1.00 0.00 H ATOM 1100 HZ2 LYS A 659 0.120 29.284 10.631 1.00 0.00 H ATOM 1101 HZ3 LYS A 659 -0.925 30.593 10.916 1.00 0.00 H ATOM 1102 H LYS A 659 5.436 31.893 14.680 1.00 0.00 H ATOM 1103 N VAL A 660 6.778 27.989 14.890 1.00 37.55 N ATOM 1104 CA VAL A 660 8.074 27.390 14.655 1.00 30.92 C ATOM 1105 C VAL A 660 7.875 25.974 14.157 1.00 31.13 C ATOM 1106 O VAL A 660 6.779 25.420 14.248 1.00 28.10 O ATOM 1107 CB VAL A 660 8.945 27.332 15.935 1.00 28.61 C ATOM 1108 CG1 VAL A 660 9.147 28.720 16.525 1.00 31.94 C ATOM 1109 CG2 VAL A 660 8.315 26.409 16.932 1.00 28.44 C ATOM 1110 H VAL A 660 6.053 27.460 15.415 1.00 0.00 H ATOM 1111 N VAL A 661 8.948 25.377 13.655 1.00 26.96 N ATOM 1112 CA VAL A 661 8.878 24.015 13.166 1.00 33.55 C ATOM 1113 C VAL A 661 10.015 23.206 13.749 1.00 40.59 C ATOM 1114 O VAL A 661 11.157 23.676 13.799 1.00 46.74 O ATOM 1115 CB VAL A 661 8.906 23.975 11.616 1.00 45.87 C ATOM 1116 CG1 VAL A 661 9.440 22.645 11.110 1.00 48.36 C ATOM 1117 CG2 VAL A 661 7.511 24.230 11.072 1.00 39.71 C ATOM 1118 H VAL A 661 9.850 25.893 13.612 1.00 0.00 H ATOM 1119 N SER A 662 9.688 21.998 14.212 1.00 38.45 N ATOM 1120 CA SER A 662 10.688 21.016 14.608 1.00 42.29 C ATOM 1121 C SER A 662 10.866 19.953 13.539 1.00 45.20 C ATOM 1122 O SER A 662 9.908 19.541 12.875 1.00 41.37 O ATOM 1123 CB SER A 662 10.296 20.336 15.910 1.00 51.69 C ATOM 1124 OG SER A 662 10.085 21.308 16.919 1.00 79.24 O ATOM 1125 HG SER A 662 10.918 21.824 17.058 1.00 0.00 H ATOM 1126 H SER A 662 8.682 21.748 14.293 1.00 0.00 H ATOM 1127 N VAL A 663 12.103 19.486 13.423 1.00 36.40 N ATOM 1128 CA VAL A 663 12.483 18.508 12.432 1.00 38.95 C ATOM 1129 C VAL A 663 13.317 17.414 13.097 1.00 49.63 C ATOM 1130 O VAL A 663 14.268 17.702 13.828 1.00 57.04 O ATOM 1131 CB VAL A 663 13.302 19.188 11.302 1.00 36.82 C ATOM 1132 CG1 VAL A 663 14.111 18.179 10.568 1.00 37.26 C ATOM 1133 CG2 VAL A 663 12.378 19.960 10.356 1.00 34.63 C ATOM 1134 H VAL A 663 12.831 19.841 14.075 1.00 0.00 H ATOM 1135 N THR A 664 12.950 16.159 12.841 1.00 48.60 N ATOM 1136 CA THR A 664 13.664 15.006 13.390 1.00 65.72 C ATOM 1137 C THR A 664 13.657 13.861 12.376 1.00 68.87 C ATOM 1138 O THR A 664 12.841 13.857 11.454 1.00 62.80 O ATOM 1139 CB THR A 664 13.059 14.525 14.747 1.00 82.84 C ATOM 1140 OG1 THR A 664 11.633 14.434 14.642 1.00 75.50 O ATOM 1141 CG2 THR A 664 13.408 15.489 15.877 1.00 83.25 C ATOM 1142 HG1 THR A 664 11.258 14.129 15.506 1.00 0.00 H ATOM 1143 H THR A 664 12.126 15.993 12.229 1.00 0.00 H ATOM 1144 N ARG A 665 14.567 12.900 12.539 1.00 75.63 N ATOM 1145 CA ARG A 665 14.699 11.805 11.573 1.00 89.50 C ATOM 1146 C ARG A 665 14.595 10.434 12.239 1.00104.59 C ATOM 1147 O ARG A 665 14.422 10.330 13.454 1.00108.33 O ATOM 1148 CB ARG A 665 16.012 11.917 10.782 1.00 86.07 C ATOM 1149 OXT ARG A 665 14.674 9.399 11.573 1.00111.46 O ATOM 1150 H ARG A 665 15.195 12.928 13.367 1.00 0.00 H TER 1151 ARG A 665 ATOM 1152 N ARG C 542 33.481 34.182 12.237 1.00 88.05 N ATOM 1153 CA ARG C 542 33.834 32.872 11.701 1.00 82.00 C ATOM 1154 C ARG C 542 32.635 31.910 11.729 1.00 84.09 C ATOM 1155 O ARG C 542 32.738 30.774 11.251 1.00 90.59 O ATOM 1156 CB ARG C 542 35.032 32.277 12.461 1.00 71.44 C ATOM 1157 HN3 ARG C 542 33.164 34.078 13.222 1.00 0.00 H ATOM 1158 HN2 ARG C 542 32.715 34.593 11.667 1.00 0.00 H ATOM 1159 HN1 ARG C 542 34.313 34.805 12.203 1.00 0.00 H ATOM 1160 N THR C 543 31.505 32.371 12.274 1.00 75.72 N ATOM 1161 CA THR C 543 30.279 31.568 12.349 1.00 69.79 C ATOM 1162 C THR C 543 29.501 31.571 11.039 1.00 62.56 C ATOM 1163 O THR C 543 29.046 32.609 10.573 1.00 56.56 O ATOM 1164 CB THR C 543 29.332 32.049 13.472 1.00 79.60 C ATOM 1165 OG1 THR C 543 29.833 33.259 14.054 1.00 89.73 O ATOM 1166 CG2 THR C 543 29.212 30.993 14.552 1.00 84.78 C ATOM 1167 HG1 THR C 543 29.219 33.558 14.771 1.00 0.00 H ATOM 1168 H THR C 543 31.494 33.337 12.660 1.00 0.00 H ATOM 1169 N LYS C 544 29.329 30.395 10.457 1.00 57.26 N ATOM 1170 CA LYS C 544 28.769 30.317 9.129 1.00 56.41 C ATOM 1171 C LYS C 544 28.197 28.938 8.867 1.00 56.54 C ATOM 1172 O LYS C 544 28.483 27.980 9.600 1.00 52.42 O ATOM 1173 CB LYS C 544 29.847 30.641 8.095 1.00 56.89 C ATOM 1174 CG LYS C 544 31.097 29.792 8.253 1.00 59.56 C ATOM 1175 CD LYS C 544 32.214 30.258 7.329 1.00 63.27 C ATOM 1176 CE LYS C 544 33.332 29.221 7.253 1.00 62.91 C ATOM 1177 NZ LYS C 544 34.441 29.661 6.376 1.00 68.95 N ATOM 1178 HZ1 LYS C 544 34.079 29.819 5.414 1.00 0.00 H ATOM 1179 HZ2 LYS C 544 34.844 30.546 6.746 1.00 0.00 H ATOM 1180 HZ3 LYS C 544 35.177 28.926 6.355 1.00 0.00 H ATOM 1181 H LYS C 544 29.598 29.524 10.958 1.00 0.00 H ATOM 1182 N ARG C 545 27.389 28.860 7.809 1.00 47.67 N ATOM 1183 CA ARG C 545 26.712 27.635 7.401 1.00 47.01 C ATOM 1184 C ARG C 545 26.888 27.429 5.897 1.00 42.46 C ATOM 1185 O ARG C 545 26.797 28.373 5.112 1.00 35.74 O ATOM 1186 CB ARG C 545 25.214 27.683 7.780 1.00 39.87 C ATOM 1187 CG ARG C 545 24.337 26.595 7.129 1.00 43.33 C ATOM 1188 CD ARG C 545 22.962 26.454 7.793 1.00 40.27 C ATOM 1189 NE ARG C 545 23.119 26.006 9.174 1.00 48.93 N ATOM 1190 CZ ARG C 545 22.880 24.771 9.603 1.00 51.86 C ATOM 1191 NH1 ARG C 545 22.414 23.838 8.777 1.00 44.60 N ATOM 1192 NH2 ARG C 545 23.075 24.477 10.878 1.00 61.02 N ATOM 1193 HE ARG C 545 23.442 26.705 9.873 1.00 0.00 H ATOM 1194 HH12 ARG C 545 22.232 22.876 9.128 1.00 0.00 H ATOM 1195 HH11 ARG C 545 22.232 24.070 7.780 1.00 0.00 H ATOM 1196 HH22 ARG C 545 22.891 23.514 11.224 1.00 0.00 H ATOM 1197 HH21 ARG C 545 23.412 25.209 11.535 1.00 0.00 H ATOM 1198 H ARG C 545 27.233 29.719 7.244 1.00 0.00 H ATOM 1199 N LEU C 546 27.140 26.188 5.505 1.00 48.34 N ATOM 1200 CA LEU C 546 27.254 25.834 4.095 1.00 37.63 C ATOM 1201 C LEU C 546 25.875 25.772 3.445 1.00 44.02 C ATOM 1202 O LEU C 546 24.957 25.085 3.938 1.00 37.95 O ATOM 1203 CB LEU C 546 27.973 24.491 3.945 1.00 46.03 C ATOM 1204 CG LEU C 546 28.427 24.083 2.536 1.00 53.22 C ATOM 1205 CD1 LEU C 546 29.404 25.096 1.969 1.00 55.74 C ATOM 1206 CD2 LEU C 546 29.056 22.707 2.556 1.00 48.62 C ATOM 1207 H LEU C 546 27.260 25.446 6.224 1.00 0.00 H ATOM 1208 N PHE C 547 25.726 26.522 2.355 1.00 39.30 N ATOM 1209 CA PHE C 547 24.556 26.411 1.499 1.00 31.97 C ATOM 1210 C PHE C 547 24.986 25.980 0.091 1.00 35.89 C ATOM 1211 O PHE C 547 26.155 26.113 -0.305 1.00 38.44 O ATOM 1212 CB PHE C 547 23.803 27.739 1.405 1.00 35.51 C ATOM 1213 CG PHE C 547 23.098 28.152 2.670 1.00 34.44 C ATOM 1214 CD1 PHE C 547 21.732 27.960 2.808 1.00 35.31 C ATOM 1215 CD2 PHE C 547 23.793 28.756 3.704 1.00 41.21 C ATOM 1216 CE1 PHE C 547 21.072 28.346 3.960 1.00 36.68 C ATOM 1217 CE2 PHE C 547 23.140 29.148 4.858 1.00 46.08 C ATOM 1218 CZ PHE C 547 21.771 28.942 4.986 1.00 35.15 C ATOM 1219 H PHE C 547 26.468 27.207 2.109 1.00 0.00 H ATOM 1220 N ARG C 548 24.032 25.464 -0.665 1.00 35.94 N ATOM 1221 CA ARG C 548 24.277 25.127 -2.050 1.00 29.03 C ATOM 1222 C ARG C 548 23.447 26.046 -2.930 1.00 37.89 C ATOM 1223 O ARG C 548 22.238 26.203 -2.733 1.00 33.38 O ATOM 1224 CB ARG C 548 23.939 23.668 -2.351 1.00 35.61 C ATOM 1225 CG ARG C 548 24.222 23.292 -3.811 1.00 40.40 C ATOM 1226 CD ARG C 548 23.597 21.970 -4.198 1.00 38.07 C ATOM 1227 NE ARG C 548 22.145 22.090 -4.255 1.00 39.97 N ATOM 1228 CZ ARG C 548 21.306 21.084 -4.017 1.00 53.30 C ATOM 1229 NH1 ARG C 548 19.992 21.286 -4.097 1.00 58.51 N ATOM 1230 NH2 ARG C 548 21.776 19.876 -3.708 1.00 41.40 N ATOM 1231 HE ARG C 548 21.740 23.017 -4.496 1.00 0.00 H ATOM 1232 HH12 ARG C 548 19.333 20.503 -3.912 1.00 0.00 H ATOM 1233 HH11 ARG C 548 19.625 22.227 -4.345 1.00 0.00 H ATOM 1234 HH22 ARG C 548 21.117 19.093 -3.523 1.00 0.00 H ATOM 1235 HH21 ARG C 548 22.802 19.716 -3.652 1.00 0.00 H ATOM 1236 H ARG C 548 23.090 25.298 -0.257 1.00 0.00 H ATOM 1237 N HIS C 549 24.112 26.678 -3.884 1.00 28.93 N ATOM 1238 CA HIS C 549 23.401 27.484 -4.850 1.00 34.63 C ATOM 1239 C HIS C 549 23.285 26.649 -6.099 1.00 30.45 C ATOM 1240 O HIS C 549 24.279 26.272 -6.700 1.00 33.21 O ATOM 1241 CB HIS C 549 24.137 28.782 -5.130 1.00 28.32 C ATOM 1242 CG HIS C 549 23.390 29.714 -6.024 1.00 54.31 C ATOM 1243 ND1 HIS C 549 23.490 29.666 -7.398 1.00 54.76 N ATOM 1244 CD2 HIS C 549 22.534 30.723 -5.742 1.00 51.61 C ATOM 1245 CE1 HIS C 549 22.726 30.604 -7.924 1.00 47.32 C ATOM 1246 NE2 HIS C 549 22.138 31.263 -6.942 1.00 45.99 N ATOM 1247 H HIS C 549 25.147 26.594 -3.938 1.00 0.00 H ATOM 1248 N TYR C 550 22.054 26.316 -6.442 1.00 35.85 N ATOM 1249 CA TYR C 550 21.785 25.501 -7.603 1.00 38.29 C ATOM 1250 C TYR C 550 20.926 26.269 -8.599 1.00 43.47 C ATOM 1251 O TYR C 550 19.849 26.771 -8.272 1.00 43.28 O ATOM 1252 CB TYR C 550 21.095 24.213 -7.192 1.00 32.17 C ATOM 1253 CG TYR C 550 20.851 23.315 -8.363 1.00 43.19 C ATOM 1254 CD1 TYR C 550 21.906 22.917 -9.178 1.00 46.03 C ATOM 1255 CD2 TYR C 550 19.570 22.874 -8.675 1.00 42.56 C ATOM 1256 CE1 TYR C 550 21.696 22.095 -10.271 1.00 47.79 C ATOM 1257 CE2 TYR C 550 19.349 22.052 -9.773 1.00 51.00 C ATOM 1258 CZ TYR C 550 20.418 21.661 -10.561 1.00 54.36 C ATOM 1259 OH TYR C 550 20.214 20.841 -11.641 1.00 61.46 O ATOM 1260 HH TYR C 550 21.080 20.664 -12.087 1.00 0.00 H ATOM 1261 H TYR C 550 21.258 26.649 -5.861 1.00 0.00 H ATOM 1262 N THR C 551 21.406 26.370 -9.826 1.00 41.39 N ATOM 1263 CA THR C 551 20.651 27.096 -10.832 1.00 32.43 C ATOM 1264 C THR C 551 20.622 26.299 -12.109 1.00 40.19 C ATOM 1265 O THR C 551 21.625 25.723 -12.522 1.00 47.11 O ATOM 1266 CB THR C 551 21.218 28.525 -11.048 1.00 43.08 C ATOM 1267 OG1 THR C 551 20.614 29.145 -12.191 1.00 42.69 O ATOM 1268 CG2 THR C 551 22.727 28.488 -11.220 1.00 32.66 C ATOM 1269 HG1 THR C 551 20.801 28.602 -12.997 1.00 0.00 H ATOM 1270 H THR C 551 22.318 25.933 -10.069 1.00 0.00 H ATOM 1271 N VAL C 552 19.451 26.245 -12.721 1.00 43.08 N ATOM 1272 CA VAL C 552 19.320 25.679 -14.043 1.00 44.43 C ATOM 1273 C VAL C 552 18.123 26.335 -14.718 1.00 40.66 C ATOM 1274 O VAL C 552 17.108 26.599 -14.072 1.00 40.66 O ATOM 1275 CB VAL C 552 19.129 24.157 -13.957 1.00 54.69 C ATOM 1276 CG1 VAL C 552 17.934 23.824 -13.094 1.00 33.62 C ATOM 1277 CG2 VAL C 552 18.997 23.558 -15.355 1.00 59.86 C ATOM 1278 H VAL C 552 18.607 26.618 -12.240 1.00 0.00 H ATOM 1279 N GLY C 553 18.246 26.614 -16.010 1.00 44.22 N ATOM 1280 CA GLY C 553 17.175 27.242 -16.758 1.00 48.03 C ATOM 1281 C GLY C 553 16.754 28.590 -16.203 1.00 45.74 C ATOM 1282 O GLY C 553 15.625 29.023 -16.434 1.00 40.00 O ATOM 1283 H GLY C 553 19.133 26.376 -16.498 1.00 0.00 H ATOM 1284 N SER C 554 17.661 29.233 -15.467 1.00 44.42 N ATOM 1285 CA SER C 554 17.438 30.560 -14.883 1.00 50.61 C ATOM 1286 C SER C 554 16.451 30.534 -13.714 1.00 45.42 C ATOM 1287 O SER C 554 15.930 31.569 -13.285 1.00 49.40 O ATOM 1288 CB SER C 554 17.043 31.603 -15.945 1.00 54.85 C ATOM 1289 OG SER C 554 17.091 32.920 -15.413 1.00 69.36 O ATOM 1290 HG SER C 554 16.463 32.990 -14.651 1.00 0.00 H ATOM 1291 H SER C 554 18.576 28.769 -15.298 1.00 0.00 H ATOM 1292 N TYR C 555 16.199 29.331 -13.219 1.00 35.91 N ATOM 1293 CA TYR C 555 15.561 29.131 -11.924 1.00 46.66 C ATOM 1294 C TYR C 555 16.631 28.890 -10.867 1.00 44.78 C ATOM 1295 O TYR C 555 17.534 28.094 -11.078 1.00 47.84 O ATOM 1296 CB TYR C 555 14.658 27.913 -11.971 1.00 47.20 C ATOM 1297 CG TYR C 555 13.525 28.032 -12.951 1.00 49.77 C ATOM 1298 CD1 TYR C 555 12.440 28.857 -12.681 1.00 47.39 C ATOM 1299 CD2 TYR C 555 13.528 27.309 -14.146 1.00 54.12 C ATOM 1300 CE1 TYR C 555 11.392 28.974 -13.577 1.00 50.13 C ATOM 1301 CE2 TYR C 555 12.474 27.415 -15.054 1.00 47.21 C ATOM 1302 CZ TYR C 555 11.411 28.251 -14.757 1.00 47.93 C ATOM 1303 OH TYR C 555 10.358 28.368 -15.625 1.00 38.85 O ATOM 1304 HH TYR C 555 9.695 29.003 -15.254 1.00 0.00 H ATOM 1305 H TYR C 555 16.467 28.496 -13.777 1.00 0.00 H ATOM 1306 N ASP C 556 16.516 29.561 -9.727 1.00 44.53 N ATOM 1307 CA ASP C 556 17.532 29.487 -8.676 1.00 31.50 C ATOM 1308 C ASP C 556 17.023 28.869 -7.384 1.00 42.06 C ATOM 1309 O ASP C 556 15.850 29.011 -7.017 1.00 41.15 O ATOM 1310 CB ASP C 556 18.060 30.880 -8.352 1.00 36.89 C ATOM 1311 CG ASP C 556 18.521 31.620 -9.577 1.00 58.35 C ATOM 1312 OD1 ASP C 556 18.390 32.863 -9.601 1.00 67.32 O ATOM 1313 OD2 ASP C 556 19.006 30.952 -10.514 1.00 63.03 O ATOM 1314 H ASP C 556 15.678 30.158 -9.576 1.00 0.00 H ATOM 1315 N SER C 557 17.923 28.210 -6.669 1.00 35.02 N ATOM 1316 CA SER C 557 17.562 27.614 -5.404 1.00 32.85 C ATOM 1317 C SER C 557 18.757 27.555 -4.469 1.00 47.08 C ATOM 1318 O SER C 557 19.774 26.928 -4.779 1.00 41.90 O ATOM 1319 CB SER C 557 16.971 26.228 -5.626 1.00 35.26 C ATOM 1320 OG SER C 557 17.571 25.277 -4.782 1.00 62.38 O ATOM 1321 HG SER C 557 18.543 25.240 -4.967 1.00 0.00 H ATOM 1322 H SER C 557 18.897 28.121 -7.022 1.00 0.00 H ATOM 1323 N LEU C 558 18.627 28.230 -3.331 1.00 37.10 N ATOM 1324 CA LEU C 558 19.644 28.194 -2.302 1.00 28.32 C ATOM 1325 C LEU C 558 19.134 27.324 -1.172 1.00 35.51 C ATOM 1326 O LEU C 558 18.127 27.652 -0.530 1.00 36.61 O ATOM 1327 CB LEU C 558 19.921 29.603 -1.781 1.00 40.86 C ATOM 1328 CG LEU C 558 21.059 29.797 -0.770 1.00 41.04 C ATOM 1329 CD1 LEU C 558 22.424 29.693 -1.467 1.00 34.07 C ATOM 1330 CD2 LEU C 558 20.918 31.128 -0.030 1.00 29.44 C ATOM 1331 H LEU C 558 17.771 28.800 -3.176 1.00 0.00 H ATOM 1332 N THR C 559 19.818 26.208 -0.941 1.00 27.84 N ATOM 1333 CA THR C 559 19.446 25.294 0.140 1.00 33.18 C ATOM 1334 C THR C 559 20.611 25.067 1.106 1.00 30.17 C ATOM 1335 O THR C 559 21.773 25.138 0.703 1.00 31.60 O ATOM 1336 CB THR C 559 19.058 23.936 -0.423 1.00 29.86 C ATOM 1337 OG1 THR C 559 20.176 23.398 -1.148 1.00 37.39 O ATOM 1338 CG2 THR C 559 17.877 24.073 -1.348 1.00 32.56 C ATOM 1339 HG1 THR C 559 20.415 24.012 -1.887 1.00 0.00 H ATOM 1340 H THR C 559 20.636 25.979 -1.542 1.00 0.00 H ATOM 1341 N SER C 560 20.302 24.787 2.369 1.00 32.01 N ATOM 1342 CA SER C 560 21.327 24.390 3.349 1.00 42.23 C ATOM 1343 C SER C 560 22.022 23.123 2.877 1.00 45.16 C ATOM 1344 O SER C 560 21.389 22.219 2.333 1.00 38.44 O ATOM 1345 CB SER C 560 20.705 24.140 4.732 1.00 45.90 C ATOM 1346 OG SER C 560 21.522 23.307 5.555 1.00 40.80 O ATOM 1347 HG SER C 560 21.648 22.430 5.113 1.00 0.00 H ATOM 1348 H SER C 560 19.309 24.850 2.673 1.00 0.00 H ATOM 1349 N HIS C 561 23.325 23.046 3.088 1.00 46.76 N ATOM 1350 CA HIS C 561 24.066 21.894 2.609 1.00 47.15 C ATOM 1351 C HIS C 561 25.151 21.520 3.609 1.00 48.53 C ATOM 1352 O HIS C 561 26.333 21.451 3.275 1.00 49.81 O ATOM 1353 CB HIS C 561 24.666 22.165 1.212 1.00 39.25 C ATOM 1354 CG HIS C 561 24.892 20.918 0.411 1.00 48.52 C ATOM 1355 ND1 HIS C 561 23.911 20.350 -0.378 1.00 46.66 N ATOM 1356 CD2 HIS C 561 25.975 20.108 0.303 1.00 42.44 C ATOM 1357 CE1 HIS C 561 24.383 19.249 -0.939 1.00 44.72 C ATOM 1358 NE2 HIS C 561 25.633 19.081 -0.544 1.00 41.98 N ATOM 1359 H HIS C 561 23.817 23.809 3.596 1.00 0.00 H ATOM 1360 N SER C 562 24.747 21.275 4.844 1.00 55.23 N ATOM 1361 CA SER C 562 25.727 21.023 5.896 1.00 62.09 C ATOM 1362 C SER C 562 26.289 19.599 5.912 1.00 59.82 C ATOM 1363 O SER C 562 25.585 18.617 5.622 1.00 59.96 O ATOM 1364 CB SER C 562 25.178 21.414 7.272 1.00 65.84 C ATOM 1365 OG SER C 562 25.211 22.821 7.436 1.00 70.10 O ATOM 1366 HG SER C 562 26.145 23.139 7.359 1.00 0.00 H ATOM 1367 H SER C 562 23.731 21.262 5.066 1.00 0.00 H ATOM 1368 N ASP C 563 27.578 19.524 6.230 1.00 50.38 N ATOM 1369 CA ASP C 563 28.258 18.270 6.490 1.00 59.52 C ATOM 1370 C ASP C 563 27.754 17.656 7.784 1.00 59.57 C ATOM 1371 O ASP C 563 27.490 18.363 8.754 1.00 55.97 O ATOM 1372 CB ASP C 563 29.765 18.503 6.618 1.00 72.97 C ATOM 1373 CG ASP C 563 30.389 19.025 5.338 1.00 81.79 C ATOM 1374 OD1 ASP C 563 31.519 19.559 5.410 1.00 85.62 O ATOM 1375 OD2 ASP C 563 29.754 18.898 4.266 1.00 80.45 O ATOM 1376 H ASP C 563 28.124 20.407 6.295 1.00 0.00 H ATOM 1377 N TYR C 564 27.630 16.337 7.789 1.00 61.40 N ATOM 1378 CA TYR C 564 27.318 15.614 9.010 1.00 70.24 C ATOM 1379 C TYR C 564 28.405 15.799 10.051 1.00 70.08 C ATOM 1380 O TYR C 564 29.578 15.585 9.780 1.00 66.19 O ATOM 1381 CB TYR C 564 27.119 14.123 8.725 1.00 76.64 C ATOM 1382 CG TYR C 564 25.734 13.802 8.217 1.00 81.87 C ATOM 1383 CD1 TYR C 564 25.494 13.593 6.856 1.00 82.69 C ATOM 1384 CD2 TYR C 564 24.659 13.733 9.093 1.00 72.00 C ATOM 1385 CE1 TYR C 564 24.218 13.307 6.393 1.00 82.32 C ATOM 1386 CE2 TYR C 564 23.387 13.449 8.644 1.00 81.00 C ATOM 1387 CZ TYR C 564 23.168 13.235 7.294 1.00 88.15 C ATOM 1388 OH TYR C 564 21.894 12.952 6.853 1.00 92.98 O ATOM 1389 HH TYR C 564 21.906 12.827 5.871 1.00 0.00 H ATOM 1390 H TYR C 564 27.758 15.809 6.902 1.00 0.00 H ATOM 1391 N VAL C 565 28.000 16.214 11.242 1.00 58.47 N ATOM 1392 CA VAL C 565 28.897 16.258 12.382 1.00 66.00 C ATOM 1393 C VAL C 565 28.663 15.016 13.226 1.00 63.37 C ATOM 1394 O VAL C 565 27.613 14.884 13.848 1.00 63.16 O ATOM 1395 CB VAL C 565 28.615 17.474 13.269 1.00 73.30 C ATOM 1396 CG1 VAL C 565 29.742 17.666 14.284 1.00 76.09 C ATOM 1397 CG2 VAL C 565 28.382 18.722 12.423 1.00 64.01 C ATOM 1398 H VAL C 565 27.012 16.517 11.363 1.00 0.00 H ATOM 1399 N ILE C 566 29.629 14.103 13.238 1.00 61.31 N ATOM 1400 CA ILE C 566 29.522 12.916 14.067 1.00 64.40 C ATOM 1401 C ILE C 566 30.329 13.113 15.347 1.00 77.36 C ATOM 1402 O ILE C 566 31.563 13.168 15.317 1.00 87.82 O ATOM 1403 CB ILE C 566 30.014 11.660 13.338 1.00 64.62 C ATOM 1404 CG1 ILE C 566 29.684 11.746 11.839 1.00 73.35 C ATOM 1405 CG2 ILE C 566 29.424 10.398 13.995 1.00 48.93 C ATOM 1406 CD1 ILE C 566 28.193 11.663 11.513 1.00 71.48 C ATOM 1407 H ILE C 566 30.473 14.241 12.646 1.00 0.00 H ATOM 1408 N ASP C 567 29.622 13.229 16.467 1.00 67.71 N ATOM 1409 CA ASP C 567 30.257 13.467 17.755 1.00 62.86 C ATOM 1410 C ASP C 567 30.087 12.285 18.699 1.00 56.86 C ATOM 1411 O ASP C 567 28.995 12.065 19.248 1.00 48.80 O ATOM 1412 CB ASP C 567 29.682 14.723 18.406 1.00 76.86 C ATOM 1413 CG ASP C 567 30.263 14.980 19.782 1.00 89.36 C ATOM 1414 OD1 ASP C 567 31.480 14.734 19.965 1.00 88.03 O ATOM 1415 OD2 ASP C 567 29.503 15.426 20.675 1.00 93.72 O ATOM 1416 H ASP C 567 28.586 13.147 16.422 1.00 0.00 H ATOM 1417 N ASP C 568 31.174 11.535 18.884 1.00 51.99 N ATOM 1418 CA ASP C 568 31.208 10.433 19.843 1.00 52.19 C ATOM 1419 C ASP C 568 31.559 10.911 21.267 1.00 55.21 C ATOM 1420 O ASP C 568 32.465 11.727 21.463 1.00 51.87 O ATOM 1421 CB ASP C 568 32.141 9.299 19.378 1.00 60.96 C ATOM 1422 CG ASP C 568 33.527 9.787 18.984 1.00 78.46 C ATOM 1423 OD1 ASP C 568 33.644 10.659 18.090 1.00 89.91 O ATOM 1424 OD2 ASP C 568 34.508 9.287 19.574 1.00 81.88 O ATOM 1425 H ASP C 568 32.027 11.742 18.326 1.00 0.00 H ATOM 1426 N LYS C 569 30.814 10.417 22.252 1.00 46.35 N ATOM 1427 CA LYS C 569 31.070 10.773 23.640 1.00 45.52 C ATOM 1428 C LYS C 569 30.810 9.611 24.602 1.00 50.48 C ATOM 1429 O LYS C 569 30.022 8.696 24.317 1.00 46.61 O ATOM 1430 CB LYS C 569 30.280 12.020 24.042 1.00 45.01 C ATOM 1431 CG LYS C 569 28.803 11.987 23.686 1.00 63.95 C ATOM 1432 CD LYS C 569 28.308 13.368 23.242 1.00 80.58 C ATOM 1433 CE LYS C 569 27.251 13.944 24.181 1.00 90.97 C ATOM 1434 NZ LYS C 569 25.868 13.435 23.918 1.00 95.48 N ATOM 1435 HZ1 LYS C 569 25.588 13.682 22.948 1.00 0.00 H ATOM 1436 HZ2 LYS C 569 25.853 12.401 24.032 1.00 0.00 H ATOM 1437 HZ3 LYS C 569 25.206 13.869 24.593 1.00 0.00 H ATOM 1438 H LYS C 569 30.035 9.765 22.027 1.00 0.00 H ATOM 1439 N VAL C 570 31.514 9.641 25.730 1.00 47.71 N ATOM 1440 CA VAL C 570 31.314 8.660 26.793 1.00 49.74 C ATOM 1441 C VAL C 570 30.518 9.292 27.942 1.00 48.88 C ATOM 1442 O VAL C 570 30.960 10.259 28.568 1.00 56.57 O ATOM 1443 CB VAL C 570 32.659 8.077 27.329 1.00 44.70 C ATOM 1444 CG1 VAL C 570 32.401 7.167 28.502 1.00 42.08 C ATOM 1445 CG2 VAL C 570 33.417 7.315 26.237 1.00 39.87 C ATOM 1446 H VAL C 570 32.229 10.386 25.859 1.00 0.00 H ATOM 1447 N ALA C 571 29.332 8.756 28.199 1.00 40.09 N ATOM 1448 CA ALA C 571 28.525 9.216 29.323 1.00 41.34 C ATOM 1449 C ALA C 571 28.577 8.211 30.478 1.00 42.54 C ATOM 1450 O ALA C 571 28.456 7.002 30.257 1.00 42.22 O ATOM 1451 CB ALA C 571 27.078 9.454 28.875 1.00 31.37 C ATOM 1452 H ALA C 571 28.972 7.995 27.589 1.00 0.00 H ATOM 1453 N ILE C 572 28.739 8.716 31.701 1.00 41.03 N ATOM 1454 CA ILE C 572 28.803 7.873 32.896 1.00 41.59 C ATOM 1455 C ILE C 572 27.685 8.197 33.876 1.00 49.93 C ATOM 1456 O ILE C 572 27.655 9.279 34.472 1.00 46.67 O ATOM 1457 CB ILE C 572 30.140 8.032 33.623 1.00 52.27 C ATOM 1458 CG1 ILE C 572 31.291 7.619 32.710 1.00 50.96 C ATOM 1459 CG2 ILE C 572 30.162 7.189 34.902 1.00 51.92 C ATOM 1460 CD1 ILE C 572 32.611 7.748 33.369 1.00 49.39 C ATOM 1461 H ILE C 572 28.823 9.747 31.810 1.00 0.00 H ATOM 1462 N LEU C 573 26.773 7.247 34.049 1.00 50.46 N ATOM 1463 CA LEU C 573 25.557 7.508 34.806 1.00 45.15 C ATOM 1464 C LEU C 573 25.576 6.797 36.147 1.00 45.49 C ATOM 1465 O LEU C 573 25.737 5.580 36.215 1.00 44.15 O ATOM 1466 CB LEU C 573 24.306 7.105 34.013 1.00 43.88 C ATOM 1467 CG LEU C 573 23.860 7.918 32.794 1.00 47.82 C ATOM 1468 CD1 LEU C 573 24.846 7.806 31.647 1.00 41.96 C ATOM 1469 CD2 LEU C 573 22.487 7.465 32.339 1.00 55.32 C ATOM 1470 H LEU C 573 26.930 6.304 33.638 1.00 0.00 H ATOM 1471 N GLN C 574 25.410 7.581 37.208 1.00 50.54 N ATOM 1472 CA GLN C 574 25.340 7.069 38.568 1.00 47.63 C ATOM 1473 C GLN C 574 23.976 7.456 39.140 1.00 52.40 C ATOM 1474 O GLN C 574 23.694 8.634 39.363 1.00 54.94 O ATOM 1475 CB GLN C 574 26.487 7.663 39.390 1.00 59.37 C ATOM 1476 CG GLN C 574 26.603 7.167 40.830 1.00 70.91 C ATOM 1477 CD GLN C 574 27.249 5.795 40.935 1.00 72.17 C ATOM 1478 OE1 GLN C 574 28.152 5.460 40.163 1.00 70.85 O ATOM 1479 NE2 GLN C 574 26.782 4.991 41.891 1.00 68.10 N ATOM 1480 HE22 GLN C 574 26.019 5.317 42.518 1.00 0.00 H ATOM 1481 HE21 GLN C 574 27.180 4.038 42.009 1.00 0.00 H ATOM 1482 H GLN C 574 25.326 8.607 37.059 1.00 0.00 H ATOM 1483 N LYS C 575 23.110 6.470 39.343 1.00 57.37 N ATOM 1484 CA LYS C 575 21.764 6.747 39.829 1.00 62.65 C ATOM 1485 C LYS C 575 21.613 6.185 41.234 1.00 64.46 C ATOM 1486 O LYS C 575 22.427 5.371 41.661 1.00 69.10 O ATOM 1487 CB LYS C 575 20.704 6.153 38.890 1.00 62.82 C ATOM 1488 CG LYS C 575 20.558 4.635 38.960 1.00 62.34 C ATOM 1489 CD LYS C 575 19.423 4.148 38.060 1.00 58.94 C ATOM 1490 CE LYS C 575 19.249 2.628 38.126 1.00 56.43 C ATOM 1491 NZ LYS C 575 18.615 2.142 39.394 1.00 60.23 N ATOM 1492 HZ1 LYS C 575 19.205 2.420 40.204 1.00 0.00 H ATOM 1493 HZ2 LYS C 575 17.670 2.564 39.492 1.00 0.00 H ATOM 1494 HZ3 LYS C 575 18.531 1.106 39.363 1.00 0.00 H ATOM 1495 H LYS C 575 23.396 5.488 39.153 1.00 0.00 H ATOM 1496 N ARG C 576 20.593 6.639 41.961 1.00 62.31 N ATOM 1497 CA ARG C 576 20.262 6.062 43.266 1.00 65.56 C ATOM 1498 C ARG C 576 19.425 4.803 43.039 1.00 73.40 C ATOM 1499 O ARG C 576 18.931 4.569 41.924 1.00 77.21 O ATOM 1500 CB ARG C 576 19.504 7.065 44.140 1.00 64.32 C ATOM 1501 CG ARG C 576 20.260 8.359 44.421 1.00 71.21 C ATOM 1502 CD ARG C 576 19.301 9.540 44.617 1.00 74.39 C ATOM 1503 H ARG C 576 20.017 7.423 41.593 1.00 0.00 H ATOM 1504 N ASP C 577 19.270 3.996 44.086 1.00 69.04 N ATOM 1505 CA ASP C 577 18.585 2.710 43.980 1.00 77.98 C ATOM 1506 C ASP C 577 17.182 2.815 43.402 1.00 84.11 C ATOM 1507 O ASP C 577 16.743 1.942 42.649 1.00 87.76 O ATOM 1508 CB ASP C 577 18.517 2.045 45.346 1.00 92.65 C ATOM 1509 CG ASP C 577 19.871 1.944 45.999 1.00 99.83 C ATOM 1510 OD1 ASP C 577 20.598 0.968 45.704 1.00 97.16 O ATOM 1511 OD2 ASP C 577 20.213 2.850 46.791 1.00101.66 O ATOM 1512 H ASP C 577 19.649 4.290 45.009 1.00 0.00 H ATOM 1513 N HIS C 578 16.487 3.895 43.739 1.00 79.50 N ATOM 1514 CA HIS C 578 15.093 4.032 43.337 1.00 87.23 C ATOM 1515 C HIS C 578 14.826 4.895 42.096 1.00 84.75 C ATOM 1516 O HIS C 578 13.813 4.710 41.422 1.00 90.14 O ATOM 1517 CB HIS C 578 14.243 4.478 44.527 1.00 92.82 C ATOM 1518 CG HIS C 578 14.179 3.459 45.620 1.00102.63 C ATOM 1519 ND1 HIS C 578 14.111 3.795 46.955 1.00112.75 N ATOM 1520 CD2 HIS C 578 14.182 2.105 45.573 1.00101.70 C ATOM 1521 CE1 HIS C 578 14.073 2.694 47.683 1.00113.89 C ATOM 1522 NE2 HIS C 578 14.113 1.655 46.869 1.00109.49 N ATOM 1523 H HIS C 578 16.941 4.649 44.294 1.00 0.00 H ATOM 1524 N GLU C 579 15.718 5.827 41.783 1.00 75.77 N ATOM 1525 CA GLU C 579 15.539 6.598 40.562 1.00 75.44 C ATOM 1526 C GLU C 579 15.914 5.769 39.337 1.00 64.64 C ATOM 1527 O GLU C 579 16.600 4.753 39.448 1.00 63.28 O ATOM 1528 CB GLU C 579 16.305 7.929 40.602 1.00 85.23 C ATOM 1529 CG GLU C 579 17.790 7.834 40.919 1.00 86.90 C ATOM 1530 CD GLU C 579 18.478 9.194 40.892 1.00 85.20 C ATOM 1531 OE1 GLU C 579 19.665 9.276 41.269 1.00 86.66 O ATOM 1532 OE2 GLU C 579 17.829 10.183 40.491 1.00 79.85 O ATOM 1533 H GLU C 579 16.534 6.004 42.403 1.00 0.00 H ATOM 1534 N GLY C 580 15.424 6.188 38.177 1.00 59.58 N ATOM 1535 CA GLY C 580 15.817 5.572 36.923 1.00 54.20 C ATOM 1536 C GLY C 580 16.948 6.374 36.316 1.00 52.49 C ATOM 1537 O GLY C 580 17.260 7.469 36.788 1.00 63.21 O ATOM 1538 H GLY C 580 14.744 6.975 38.166 1.00 0.00 H ATOM 1539 N PHE C 581 17.577 5.842 35.277 1.00 46.76 N ATOM 1540 CA PHE C 581 18.637 6.589 34.593 1.00 52.48 C ATOM 1541 C PHE C 581 18.065 7.813 33.859 1.00 55.26 C ATOM 1542 O PHE C 581 18.795 8.736 33.507 1.00 55.07 O ATOM 1543 CB PHE C 581 19.416 5.691 33.631 1.00 38.64 C ATOM 1544 CG PHE C 581 20.286 4.674 34.314 1.00 50.26 C ATOM 1545 CD1 PHE C 581 19.974 3.316 34.261 1.00 43.91 C ATOM 1546 CD2 PHE C 581 21.418 5.069 35.018 1.00 52.14 C ATOM 1547 CE1 PHE C 581 20.788 2.375 34.891 1.00 40.91 C ATOM 1548 CE2 PHE C 581 22.221 4.136 35.654 1.00 54.77 C ATOM 1549 CZ PHE C 581 21.908 2.789 35.582 1.00 38.44 C ATOM 1550 H PHE C 581 17.317 4.891 34.946 1.00 0.00 H ATOM 1551 N GLY C 582 16.752 7.809 33.646 1.00 57.67 N ATOM 1552 CA GLY C 582 16.059 8.924 33.034 1.00 57.07 C ATOM 1553 C GLY C 582 16.149 8.991 31.518 1.00 60.11 C ATOM 1554 O GLY C 582 16.444 10.055 30.973 1.00 63.87 O ATOM 1555 H GLY C 582 16.202 6.973 33.930 1.00 0.00 H ATOM 1556 N PHE C 583 15.901 7.868 30.842 1.00 57.70 N ATOM 1557 CA PHE C 583 15.797 7.842 29.376 1.00 57.15 C ATOM 1558 C PHE C 583 14.982 6.678 28.833 1.00 49.65 C ATOM 1559 O PHE C 583 14.857 5.636 29.463 1.00 55.99 O ATOM 1560 CB PHE C 583 17.178 7.856 28.692 1.00 58.56 C ATOM 1561 CG PHE C 583 17.986 6.580 28.873 1.00 59.05 C ATOM 1562 CD1 PHE C 583 17.827 5.504 28.016 1.00 65.54 C ATOM 1563 CD2 PHE C 583 18.932 6.477 29.877 1.00 58.76 C ATOM 1564 CE1 PHE C 583 18.583 4.347 28.171 1.00 56.74 C ATOM 1565 CE2 PHE C 583 19.687 5.321 30.031 1.00 59.58 C ATOM 1566 CZ PHE C 583 19.511 4.259 29.170 1.00 51.97 C ATOM 1567 H PHE C 583 15.777 6.981 31.370 1.00 0.00 H ATOM 1568 N VAL C 584 14.452 6.867 27.636 1.00 50.96 N ATOM 1569 CA VAL C 584 13.764 5.809 26.926 1.00 56.10 C ATOM 1570 C VAL C 584 14.593 5.360 25.720 1.00 62.91 C ATOM 1571 O VAL C 584 14.878 6.139 24.799 1.00 56.76 O ATOM 1572 CB VAL C 584 12.378 6.261 26.472 1.00 56.04 C ATOM 1573 CG1 VAL C 584 11.693 5.151 25.689 1.00 46.86 C ATOM 1574 CG2 VAL C 584 11.548 6.685 27.687 1.00 53.70 C ATOM 1575 H VAL C 584 14.532 7.804 27.191 1.00 0.00 H ATOM 1576 N LEU C 585 14.992 4.095 25.753 1.00 64.81 N ATOM 1577 CA LEU C 585 15.785 3.505 24.693 1.00 55.98 C ATOM 1578 C LEU C 585 14.868 2.884 23.650 1.00 59.23 C ATOM 1579 O LEU C 585 13.897 2.213 23.990 1.00 64.18 O ATOM 1580 CB LEU C 585 16.705 2.430 25.271 1.00 43.05 C ATOM 1581 CG LEU C 585 17.611 1.770 24.241 1.00 49.40 C ATOM 1582 CD1 LEU C 585 18.778 2.691 23.899 1.00 46.91 C ATOM 1583 CD2 LEU C 585 18.084 0.419 24.712 1.00 49.79 C ATOM 1584 H LEU C 585 14.726 3.506 26.568 1.00 0.00 H ATOM 1585 N ARG C 586 15.179 3.098 22.380 1.00 56.05 N ATOM 1586 CA ARG C 586 14.383 2.514 21.305 1.00 55.70 C ATOM 1587 C ARG C 586 15.254 1.943 20.203 1.00 58.77 C ATOM 1588 O ARG C 586 16.240 2.556 19.800 1.00 64.70 O ATOM 1589 CB ARG C 586 13.453 3.559 20.698 1.00 64.42 C ATOM 1590 CG ARG C 586 12.883 3.126 19.363 1.00 73.61 C ATOM 1591 CD ARG C 586 11.794 4.043 18.872 1.00 75.14 C ATOM 1592 NE ARG C 586 10.931 3.346 17.927 1.00 80.69 N ATOM 1593 CZ ARG C 586 9.739 3.789 17.541 1.00 91.31 C ATOM 1594 NH1 ARG C 586 9.273 4.932 18.019 1.00 93.11 N ATOM 1595 NH2 ARG C 586 9.010 3.091 16.680 1.00 98.36 N ATOM 1596 HE ARG C 586 11.269 2.446 17.530 1.00 0.00 H ATOM 1597 HH12 ARG C 586 8.340 5.280 17.718 1.00 0.00 H ATOM 1598 HH11 ARG C 586 9.840 5.482 18.696 1.00 0.00 H ATOM 1599 HH22 ARG C 586 8.078 3.443 16.382 1.00 0.00 H ATOM 1600 HH21 ARG C 586 9.371 2.191 16.303 1.00 0.00 H ATOM 1601 H ARG C 586 16.001 3.690 22.146 1.00 0.00 H ATOM 1602 N GLY C 587 14.893 0.767 19.711 1.00 60.76 N ATOM 1603 CA GLY C 587 15.531 0.258 18.516 1.00 61.26 C ATOM 1604 C GLY C 587 15.135 -1.149 18.144 1.00 62.01 C ATOM 1605 O GLY C 587 14.283 -1.763 18.783 1.00 63.96 O ATOM 1606 H GLY C 587 14.152 0.210 20.183 1.00 0.00 H ATOM 1607 N ALA C 588 15.790 -1.662 17.112 1.00 60.68 N ATOM 1608 CA ALA C 588 15.424 -2.935 16.514 1.00 64.16 C ATOM 1609 C ALA C 588 15.495 -4.128 17.466 1.00 66.15 C ATOM 1610 O ALA C 588 16.504 -4.350 18.145 1.00 67.38 O ATOM 1611 CB ALA C 588 16.275 -3.192 15.285 1.00 64.34 C ATOM 1612 H ALA C 588 16.594 -1.135 16.716 1.00 0.00 H ATOM 1613 N LYS C 589 14.412 -4.897 17.501 1.00 63.43 N ATOM 1614 CA LYS C 589 14.406 -6.154 18.227 1.00 66.79 C ATOM 1615 C LYS C 589 15.232 -7.160 17.434 1.00 72.07 C ATOM 1616 O LYS C 589 15.169 -7.182 16.206 1.00 69.89 O ATOM 1617 CB LYS C 589 12.978 -6.683 18.395 1.00 62.20 C ATOM 1618 CG LYS C 589 11.938 -5.634 18.778 1.00 64.04 C ATOM 1619 CD LYS C 589 10.541 -6.245 18.906 1.00 62.39 C ATOM 1620 H LYS C 589 13.553 -4.593 16.999 1.00 0.00 H ATOM 1621 N ALA C 590 16.005 -7.981 18.141 1.00 77.09 N ATOM 1622 CA ALA C 590 16.718 -9.108 17.542 1.00 78.82 C ATOM 1623 C ALA C 590 17.232 -10.065 18.623 1.00 89.75 C ATOM 1624 O ALA C 590 17.913 -9.646 19.564 1.00 91.18 O ATOM 1625 CB ALA C 590 17.863 -8.621 16.677 1.00 73.59 C ATOM 1626 H ALA C 590 16.106 -7.814 19.162 1.00 0.00 H ATOM 1627 N GLU C 591 16.901 -11.348 18.482 1.00 95.30 N ATOM 1628 CA GLU C 591 17.349 -12.372 19.423 1.00 98.16 C ATOM 1629 C GLU C 591 18.857 -12.587 19.306 1.00 95.63 C ATOM 1630 O GLU C 591 19.511 -13.027 20.252 1.00 95.53 O ATOM 1631 CB GLU C 591 16.602 -13.688 19.186 1.00101.34 C ATOM 1632 H GLU C 591 16.305 -11.629 17.677 1.00 0.00 H ATOM 1633 N THR C 592 19.395 -12.290 18.126 1.00 90.54 N ATOM 1634 CA THR C 592 20.834 -12.303 17.890 1.00 85.75 C ATOM 1635 C THR C 592 21.234 -11.036 17.137 1.00 80.55 C ATOM 1636 O THR C 592 20.419 -10.447 16.428 1.00 80.56 O ATOM 1637 CB THR C 592 21.279 -13.502 17.034 1.00 92.49 C ATOM 1638 OG1 THR C 592 21.148 -13.172 15.645 1.00 95.86 O ATOM 1639 CG2 THR C 592 20.462 -14.751 17.360 1.00104.41 C ATOM 1640 HG1 THR C 592 21.717 -12.389 15.438 1.00 0.00 H ATOM 1641 H THR C 592 18.763 -12.038 17.339 1.00 0.00 H ATOM 1642 N PRO C 593 22.493 -10.607 17.298 1.00 71.96 N ATOM 1643 CA PRO C 593 23.034 -9.495 16.513 1.00 69.17 C ATOM 1644 C PRO C 593 22.770 -9.614 15.007 1.00 68.22 C ATOM 1645 O PRO C 593 22.873 -10.697 14.426 1.00 68.65 O ATOM 1646 CB PRO C 593 24.533 -9.580 16.804 1.00 59.92 C ATOM 1647 CG PRO C 593 24.589 -10.076 18.201 1.00 56.58 C ATOM 1648 CD PRO C 593 23.422 -11.021 18.366 1.00 60.11 C ATOM 1649 N ILE C 594 22.417 -8.485 14.401 1.00 65.68 N ATOM 1650 CA ILE C 594 22.202 -8.387 12.966 1.00 60.93 C ATOM 1651 C ILE C 594 23.506 -7.978 12.307 1.00 59.97 C ATOM 1652 O ILE C 594 23.833 -6.794 12.228 1.00 56.73 O ATOM 1653 CB ILE C 594 21.117 -7.342 12.645 1.00 59.89 C ATOM 1654 CG1 ILE C 594 19.834 -7.679 13.409 1.00 55.36 C ATOM 1655 CG2 ILE C 594 20.866 -7.267 11.133 1.00 58.03 C ATOM 1656 CD1 ILE C 594 18.867 -6.532 13.554 1.00 51.07 C ATOM 1657 H ILE C 594 22.288 -7.631 14.981 1.00 0.00 H ATOM 1658 N GLU C 595 24.255 -8.967 11.840 1.00 64.95 N ATOM 1659 CA GLU C 595 25.603 -8.720 11.341 1.00 66.10 C ATOM 1660 C GLU C 595 25.621 -7.902 10.057 1.00 66.75 C ATOM 1661 O GLU C 595 26.545 -7.108 9.824 1.00 64.98 O ATOM 1662 CB GLU C 595 26.354 -10.038 11.137 1.00 74.48 C ATOM 1663 CG GLU C 595 26.463 -10.897 12.389 1.00 90.42 C ATOM 1664 CD GLU C 595 27.457 -10.354 13.404 1.00103.57 C ATOM 1665 OE1 GLU C 595 28.187 -9.387 13.079 1.00105.00 O ATOM 1666 OE2 GLU C 595 27.510 -10.902 14.530 1.00108.44 O ATOM 1667 H GLU C 595 23.875 -9.935 11.829 1.00 0.00 H ATOM 1668 N GLU C 596 24.603 -8.094 9.224 1.00 66.03 N ATOM 1669 CA GLU C 596 24.554 -7.412 7.936 1.00 71.23 C ATOM 1670 C GLU C 596 24.130 -5.952 8.065 1.00 64.70 C ATOM 1671 O GLU C 596 24.071 -5.232 7.067 1.00 69.98 O ATOM 1672 CB GLU C 596 23.652 -8.152 6.938 1.00 77.79 C ATOM 1673 CG GLU C 596 22.202 -8.257 7.364 1.00 86.45 C ATOM 1674 CD GLU C 596 21.927 -9.470 8.238 1.00 95.23 C ATOM 1675 OE1 GLU C 596 22.890 -10.111 8.715 1.00 95.82 O ATOM 1676 OE2 GLU C 596 20.735 -9.782 8.441 1.00100.08 O ATOM 1677 H GLU C 596 23.832 -8.738 9.494 1.00 0.00 H ATOM 1678 N PHE C 597 23.834 -5.512 9.283 1.00 51.49 N ATOM 1679 CA PHE C 597 23.564 -4.100 9.488 1.00 54.32 C ATOM 1680 C PHE C 597 24.761 -3.242 9.061 1.00 56.76 C ATOM 1681 O PHE C 597 25.917 -3.562 9.352 1.00 54.70 O ATOM 1682 CB PHE C 597 23.181 -3.789 10.935 1.00 50.79 C ATOM 1683 CG PHE C 597 23.040 -2.318 11.202 1.00 51.23 C ATOM 1684 CD1 PHE C 597 21.998 -1.592 10.625 1.00 55.59 C ATOM 1685 CD2 PHE C 597 23.957 -1.648 12.001 1.00 47.03 C ATOM 1686 CE1 PHE C 597 21.868 -0.224 10.844 1.00 52.09 C ATOM 1687 CE2 PHE C 597 23.833 -0.280 12.233 1.00 43.25 C ATOM 1688 CZ PHE C 597 22.790 0.434 11.651 1.00 46.60 C ATOM 1689 H PHE C 597 23.796 -6.174 10.084 1.00 0.00 H ATOM 1690 N THR C 598 24.469 -2.159 8.351 1.00 57.75 N ATOM 1691 CA THR C 598 25.500 -1.273 7.833 1.00 57.81 C ATOM 1692 C THR C 598 25.269 0.136 8.368 1.00 56.35 C ATOM 1693 O THR C 598 24.284 0.787 8.022 1.00 59.12 O ATOM 1694 CB THR C 598 25.495 -1.263 6.284 1.00 64.73 C ATOM 1695 OG1 THR C 598 25.912 -2.543 5.790 1.00 76.54 O ATOM 1696 CG2 THR C 598 26.425 -0.191 5.738 1.00 37.23 C ATOM 1697 HG1 THR C 598 25.289 -3.240 6.116 1.00 0.00 H ATOM 1698 H THR C 598 23.471 -1.937 8.159 1.00 0.00 H ATOM 1699 N PRO C 599 26.165 0.600 9.244 1.00 54.39 N ATOM 1700 CA PRO C 599 26.088 1.956 9.796 1.00 53.01 C ATOM 1701 C PRO C 599 26.293 3.026 8.741 1.00 45.95 C ATOM 1702 O PRO C 599 27.139 2.893 7.863 1.00 58.85 O ATOM 1703 CB PRO C 599 27.246 1.991 10.812 1.00 42.87 C ATOM 1704 CG PRO C 599 27.395 0.588 11.222 1.00 40.00 C ATOM 1705 CD PRO C 599 27.130 -0.230 9.980 1.00 55.19 C ATOM 1706 N THR C 600 25.510 4.086 8.846 1.00 39.72 N ATOM 1707 CA THR C 600 25.642 5.238 7.976 1.00 45.59 C ATOM 1708 C THR C 600 25.701 6.479 8.853 1.00 51.79 C ATOM 1709 O THR C 600 25.278 6.423 10.015 1.00 56.76 O ATOM 1710 CB THR C 600 24.442 5.335 7.042 1.00 47.98 C ATOM 1711 OG1 THR C 600 23.267 4.975 7.764 1.00 36.11 O ATOM 1712 CG2 THR C 600 24.604 4.374 5.873 1.00 39.80 C ATOM 1713 HG1 THR C 600 23.358 4.048 8.099 1.00 0.00 H ATOM 1714 H THR C 600 24.773 4.094 9.579 1.00 0.00 H ATOM 1715 N PRO C 601 26.258 7.587 8.325 1.00 47.36 N ATOM 1716 CA PRO C 601 26.211 8.852 9.061 1.00 51.50 C ATOM 1717 C PRO C 601 24.812 9.127 9.599 1.00 58.09 C ATOM 1718 O PRO C 601 24.682 9.473 10.766 1.00 61.74 O ATOM 1719 CB PRO C 601 26.602 9.874 7.994 1.00 53.88 C ATOM 1720 CG PRO C 601 27.608 9.134 7.167 1.00 49.99 C ATOM 1721 CD PRO C 601 27.107 7.693 7.123 1.00 46.17 C ATOM 1722 N ALA C 602 23.787 8.924 8.776 1.00 60.08 N ATOM 1723 CA ALA C 602 22.408 9.152 9.202 1.00 59.98 C ATOM 1724 C ALA C 602 22.028 8.284 10.396 1.00 58.85 C ATOM 1725 O ALA C 602 21.400 8.753 11.340 1.00 71.22 O ATOM 1726 CB ALA C 602 21.437 8.897 8.042 1.00 40.34 C ATOM 1727 H ALA C 602 23.971 8.595 7.807 1.00 0.00 H ATOM 1728 N PHE C 603 22.416 7.016 10.340 1.00 55.08 N ATOM 1729 CA PHE C 603 21.889 6.003 11.243 1.00 53.67 C ATOM 1730 C PHE C 603 22.987 5.031 11.626 1.00 52.66 C ATOM 1731 O PHE C 603 23.102 3.953 11.038 1.00 48.17 O ATOM 1732 CB PHE C 603 20.750 5.252 10.564 1.00 53.99 C ATOM 1733 CG PHE C 603 19.914 4.438 11.504 1.00 57.45 C ATOM 1734 CD1 PHE C 603 20.178 3.092 11.699 1.00 52.57 C ATOM 1735 CD2 PHE C 603 18.853 5.017 12.187 1.00 60.32 C ATOM 1736 CE1 PHE C 603 19.402 2.337 12.561 1.00 56.32 C ATOM 1737 CE2 PHE C 603 18.076 4.269 13.051 1.00 63.39 C ATOM 1738 CZ PHE C 603 18.351 2.929 13.241 1.00 62.07 C ATOM 1739 H PHE C 603 23.120 6.737 9.627 1.00 0.00 H ATOM 1740 N PRO C 604 23.803 5.416 12.619 1.00 49.98 N ATOM 1741 CA PRO C 604 25.022 4.688 12.985 1.00 46.90 C ATOM 1742 C PRO C 604 24.748 3.365 13.696 1.00 47.41 C ATOM 1743 O PRO C 604 25.573 2.462 13.575 1.00 46.18 O ATOM 1744 CB PRO C 604 25.748 5.661 13.929 1.00 46.85 C ATOM 1745 CG PRO C 604 25.085 6.996 13.715 1.00 47.60 C ATOM 1746 CD PRO C 604 23.667 6.671 13.372 1.00 48.01 C ATOM 1747 N ALA C 605 23.624 3.241 14.402 1.00 41.69 N ATOM 1748 CA ALA C 605 23.374 2.046 15.212 1.00 45.47 C ATOM 1749 C ALA C 605 21.895 1.730 15.421 1.00 56.00 C ATOM 1750 O ALA C 605 21.026 2.556 15.141 1.00 52.65 O ATOM 1751 CB ALA C 605 24.063 2.163 16.540 1.00 30.91 C ATOM 1752 H ALA C 605 22.916 4.002 14.378 1.00 0.00 H ATOM 1753 N LEU C 606 21.624 0.530 15.932 1.00 59.88 N ATOM 1754 CA LEU C 606 20.251 0.042 16.116 1.00 58.84 C ATOM 1755 C LEU C 606 19.493 0.677 17.281 1.00 58.92 C ATOM 1756 O LEU C 606 18.292 0.956 17.165 1.00 62.98 O ATOM 1757 CB LEU C 606 20.250 -1.471 16.298 1.00 53.35 C ATOM 1758 CG LEU C 606 20.818 -2.284 15.142 1.00 56.01 C ATOM 1759 CD1 LEU C 606 20.660 -3.766 15.426 1.00 62.17 C ATOM 1760 CD2 LEU C 606 20.116 -1.897 13.847 1.00 51.14 C ATOM 1761 H LEU C 606 22.415 -0.085 16.211 1.00 0.00 H ATOM 1762 N GLN C 607 20.186 0.877 18.405 1.00 49.85 N ATOM 1763 CA GLN C 607 19.557 1.450 19.594 1.00 46.22 C ATOM 1764 C GLN C 607 19.942 2.910 19.760 1.00 42.21 C ATOM 1765 O GLN C 607 21.106 3.277 19.662 1.00 50.11 O ATOM 1766 CB GLN C 607 19.931 0.666 20.866 1.00 41.75 C ATOM 1767 CG GLN C 607 19.772 -0.849 20.770 1.00 42.21 C ATOM 1768 CD GLN C 607 18.398 -1.276 20.283 1.00 50.82 C ATOM 1769 OE1 GLN C 607 17.379 -0.684 20.644 1.00 58.62 O ATOM 1770 NE2 GLN C 607 18.366 -2.319 19.468 1.00 38.92 N ATOM 1771 HE22 GLN C 607 19.251 -2.788 19.189 1.00 0.00 H ATOM 1772 HE21 GLN C 607 17.456 -2.669 19.107 1.00 0.00 H ATOM 1773 H GLN C 607 21.193 0.620 18.435 1.00 0.00 H ATOM 1774 N TYR C 608 18.953 3.737 20.050 1.00 40.36 N ATOM 1775 CA TYR C 608 19.176 5.164 20.190 1.00 43.15 C ATOM 1776 C TYR C 608 18.272 5.704 21.297 1.00 48.76 C ATOM 1777 O TYR C 608 17.341 5.028 21.743 1.00 40.99 O ATOM 1778 CB TYR C 608 18.878 5.874 18.861 1.00 40.88 C ATOM 1779 CG TYR C 608 17.600 5.375 18.216 1.00 44.71 C ATOM 1780 CD1 TYR C 608 16.368 5.954 18.517 1.00 45.45 C ATOM 1781 CD2 TYR C 608 17.623 4.298 17.324 1.00 37.57 C ATOM 1782 CE1 TYR C 608 15.199 5.485 17.937 1.00 53.35 C ATOM 1783 CE2 TYR C 608 16.462 3.824 16.740 1.00 40.09 C ATOM 1784 CZ TYR C 608 15.257 4.419 17.046 1.00 50.71 C ATOM 1785 OH TYR C 608 14.107 3.936 16.468 1.00 54.07 O ATOM 1786 HH TYR C 608 13.332 4.464 16.786 1.00 0.00 H ATOM 1787 H TYR C 608 17.994 3.357 20.181 1.00 0.00 H ATOM 1788 N LEU C 609 18.540 6.930 21.728 1.00 52.04 N ATOM 1789 CA LEU C 609 17.719 7.567 22.747 1.00 49.20 C ATOM 1790 C LEU C 609 16.464 8.243 22.193 1.00 55.96 C ATOM 1791 O LEU C 609 16.511 9.333 21.618 1.00 49.99 O ATOM 1792 CB LEU C 609 18.548 8.572 23.535 1.00 53.80 C ATOM 1793 CG LEU C 609 19.311 8.058 24.754 1.00 48.12 C ATOM 1794 CD1 LEU C 609 19.348 6.531 24.846 1.00 50.52 C ATOM 1795 CD2 LEU C 609 20.697 8.641 24.752 1.00 40.41 C ATOM 1796 H LEU C 609 19.351 7.445 21.330 1.00 0.00 H ATOM 1797 N GLU C 610 15.332 7.589 22.394 1.00 64.27 N ATOM 1798 CA GLU C 610 14.048 8.146 22.009 1.00 63.53 C ATOM 1799 C GLU C 610 13.722 9.425 22.776 1.00 64.74 C ATOM 1800 O GLU C 610 13.331 10.438 22.197 1.00 64.70 O ATOM 1801 CB GLU C 610 12.965 7.120 22.276 1.00 66.86 C ATOM 1802 CG GLU C 610 11.606 7.729 22.371 1.00 82.20 C ATOM 1803 CD GLU C 610 10.607 6.980 21.552 1.00 99.34 C ATOM 1804 OE1 GLU C 610 10.776 6.926 20.312 1.00 99.11 O ATOM 1805 OE2 GLU C 610 9.663 6.430 22.156 1.00108.68 O ATOM 1806 H GLU C 610 15.363 6.650 22.840 1.00 0.00 H ATOM 1807 N SER C 611 13.866 9.366 24.094 1.00 66.90 N ATOM 1808 CA SER C 611 13.642 10.537 24.928 1.00 65.60 C ATOM 1809 C SER C 611 14.581 10.494 26.105 1.00 55.22 C ATOM 1810 O SER C 611 14.981 9.425 26.546 1.00 55.93 O ATOM 1811 CB SER C 611 12.186 10.624 25.405 1.00 70.32 C ATOM 1812 OG SER C 611 11.710 9.373 25.870 1.00 71.61 O ATOM 1813 HG SER C 611 10.771 9.469 26.168 1.00 0.00 H ATOM 1814 H SER C 611 14.144 8.468 24.538 1.00 0.00 H ATOM 1815 N VAL C 612 14.951 11.674 26.584 1.00 54.83 N ATOM 1816 CA VAL C 612 15.723 11.827 27.803 1.00 51.37 C ATOM 1817 C VAL C 612 14.940 12.770 28.699 1.00 63.53 C ATOM 1818 O VAL C 612 14.550 13.861 28.274 1.00 66.26 O ATOM 1819 CB VAL C 612 17.093 12.445 27.519 1.00 47.07 C ATOM 1820 CG1 VAL C 612 17.830 12.764 28.822 1.00 47.91 C ATOM 1821 CG2 VAL C 612 17.923 11.520 26.618 1.00 44.05 C ATOM 1822 H VAL C 612 14.675 12.530 26.061 1.00 0.00 H ATOM 1823 N ASP C 613 14.685 12.342 29.928 1.00 67.22 N ATOM 1824 CA ASP C 613 13.998 13.192 30.887 1.00 64.72 C ATOM 1825 C ASP C 613 14.939 14.321 31.258 1.00 59.04 C ATOM 1826 O ASP C 613 16.114 14.100 31.525 1.00 64.39 O ATOM 1827 CB ASP C 613 13.592 12.388 32.120 1.00 72.28 C ATOM 1828 CG ASP C 613 13.024 11.028 31.760 1.00 88.03 C ATOM 1829 OD1 ASP C 613 12.541 10.877 30.612 1.00105.40 O ATOM 1830 OD2 ASP C 613 13.069 10.110 32.610 1.00 81.61 O ATOM 1831 H ASP C 613 14.980 11.385 30.210 1.00 0.00 H ATOM 1832 N VAL C 614 14.435 15.543 31.244 1.00 67.03 N ATOM 1833 CA VAL C 614 15.283 16.674 31.574 1.00 71.17 C ATOM 1834 C VAL C 614 15.462 16.759 33.096 1.00 79.56 C ATOM 1835 O VAL C 614 14.555 16.403 33.868 1.00 78.61 O ATOM 1836 CB VAL C 614 14.746 17.984 30.955 1.00 66.64 C ATOM 1837 CG1 VAL C 614 14.223 17.706 29.564 1.00 69.78 C ATOM 1838 CG2 VAL C 614 13.658 18.587 31.808 1.00 63.54 C ATOM 1839 H VAL C 614 13.436 15.693 30.998 1.00 0.00 H ATOM 1840 N GLU C 615 16.654 17.194 33.504 1.00 80.96 N ATOM 1841 CA GLU C 615 17.069 17.222 34.909 1.00 81.25 C ATOM 1842 C GLU C 615 17.317 15.822 35.496 1.00 75.14 C ATOM 1843 O GLU C 615 17.795 15.700 36.617 1.00 79.83 O ATOM 1844 CB GLU C 615 16.094 18.036 35.777 1.00 86.15 C ATOM 1845 H GLU C 615 17.326 17.532 32.786 1.00 0.00 H ATOM 1846 N GLY C 616 17.016 14.772 34.735 1.00 66.67 N ATOM 1847 CA GLY C 616 17.306 13.416 35.167 1.00 64.52 C ATOM 1848 C GLY C 616 18.782 13.069 35.050 1.00 66.63 C ATOM 1849 O GLY C 616 19.590 13.873 34.570 1.00 67.64 O ATOM 1850 H GLY C 616 16.563 14.926 33.811 1.00 0.00 H ATOM 1851 N VAL C 617 19.136 11.862 35.480 1.00 61.46 N ATOM 1852 CA VAL C 617 20.535 11.440 35.523 1.00 58.96 C ATOM 1853 C VAL C 617 21.242 11.492 34.159 1.00 63.37 C ATOM 1854 O VAL C 617 22.331 12.057 34.036 1.00 57.10 O ATOM 1855 CB VAL C 617 20.659 10.040 36.141 1.00 51.44 C ATOM 1856 CG1 VAL C 617 22.042 9.452 35.888 1.00 40.83 C ATOM 1857 CG2 VAL C 617 20.356 10.114 37.628 1.00 49.56 C ATOM 1858 H VAL C 617 18.398 11.200 35.794 1.00 0.00 H ATOM 1859 N ALA C 618 20.606 10.909 33.145 1.00 65.41 N ATOM 1860 CA ALA C 618 21.166 10.839 31.798 1.00 56.53 C ATOM 1861 C ALA C 618 21.335 12.224 31.202 1.00 55.77 C ATOM 1862 O ALA C 618 22.313 12.499 30.509 1.00 54.10 O ATOM 1863 CB ALA C 618 20.274 9.990 30.899 1.00 50.99 C ATOM 1864 H ALA C 618 19.672 10.486 33.319 1.00 0.00 H ATOM 1865 N TRP C 619 20.363 13.090 31.460 1.00 57.52 N ATOM 1866 CA TRP C 619 20.427 14.453 30.973 1.00 47.57 C ATOM 1867 C TRP C 619 21.652 15.124 31.557 1.00 56.77 C ATOM 1868 O TRP C 619 22.421 15.761 30.848 1.00 58.28 O ATOM 1869 CB TRP C 619 19.199 15.235 31.409 1.00 50.22 C ATOM 1870 CG TRP C 619 19.330 16.664 31.080 1.00 66.46 C ATOM 1871 CD1 TRP C 619 19.917 17.636 31.838 1.00 74.99 C ATOM 1872 CD2 TRP C 619 18.893 17.299 29.876 1.00 68.23 C ATOM 1873 NE1 TRP C 619 19.863 18.841 31.179 1.00 83.45 N ATOM 1874 CE2 TRP C 619 19.236 18.660 29.973 1.00 77.50 C ATOM 1875 CE3 TRP C 619 18.232 16.850 28.731 1.00 64.48 C ATOM 1876 CZ2 TRP C 619 18.943 19.575 28.966 1.00 82.93 C ATOM 1877 CZ3 TRP C 619 17.939 17.761 27.731 1.00 69.99 C ATOM 1878 CH2 TRP C 619 18.298 19.107 27.853 1.00 75.66 C ATOM 1879 HE1 TRP C 619 20.237 19.743 31.537 1.00 0.00 H ATOM 1880 H TRP C 619 19.542 12.785 32.021 1.00 0.00 H ATOM 1881 N ARG C 620 21.821 14.984 32.869 1.00 58.33 N ATOM 1882 CA ARG C 620 22.916 15.633 33.563 1.00 50.97 C ATOM 1883 C ARG C 620 24.250 15.068 33.094 1.00 50.86 C ATOM 1884 O ARG C 620 25.276 15.740 33.146 1.00 59.68 O ATOM 1885 CB ARG C 620 22.747 15.484 35.074 1.00 59.90 C ATOM 1886 CG ARG C 620 22.122 16.718 35.742 1.00 78.73 C ATOM 1887 CD ARG C 620 21.103 16.355 36.820 1.00 82.48 C ATOM 1888 NE ARG C 620 21.502 15.164 37.568 1.00 83.36 N ATOM 1889 CZ ARG C 620 20.661 14.377 38.232 1.00 78.67 C ATOM 1890 NH1 ARG C 620 19.364 14.650 38.252 1.00 77.27 N ATOM 1891 NH2 ARG C 620 21.116 13.310 38.872 1.00 77.61 N ATOM 1892 HE ARG C 620 22.512 14.916 37.582 1.00 0.00 H ATOM 1893 HH12 ARG C 620 18.710 14.031 38.773 1.00 0.00 H ATOM 1894 HH11 ARG C 620 19.000 15.483 37.747 1.00 0.00 H ATOM 1895 HH22 ARG C 620 20.457 12.695 39.391 1.00 0.00 H ATOM 1896 HH21 ARG C 620 22.132 13.087 38.855 1.00 0.00 H ATOM 1897 H ARG C 620 21.153 14.397 33.408 1.00 0.00 H ATOM 1898 N ALA C 621 24.231 13.835 32.608 1.00 43.03 N ATOM 1899 CA ALA C 621 25.464 13.197 32.170 1.00 46.69 C ATOM 1900 C ALA C 621 25.790 13.580 30.727 1.00 49.51 C ATOM 1901 O ALA C 621 26.769 13.101 30.160 1.00 52.51 O ATOM 1902 CB ALA C 621 25.377 11.683 32.327 1.00 41.89 C ATOM 1903 H ALA C 621 23.330 13.320 32.539 1.00 0.00 H ATOM 1904 N GLY C 622 24.965 14.444 30.142 1.00 45.01 N ATOM 1905 CA GLY C 622 25.227 14.981 28.817 1.00 51.05 C ATOM 1906 C GLY C 622 24.522 14.276 27.671 1.00 55.60 C ATOM 1907 O GLY C 622 24.705 14.652 26.516 1.00 66.58 O ATOM 1908 H GLY C 622 24.107 14.744 30.648 1.00 0.00 H ATOM 1909 N LEU C 623 23.728 13.252 27.984 1.00 49.86 N ATOM 1910 CA LEU C 623 22.996 12.502 26.963 1.00 38.01 C ATOM 1911 C LEU C 623 21.781 13.274 26.501 1.00 48.32 C ATOM 1912 O LEU C 623 21.110 13.931 27.302 1.00 54.69 O ATOM 1913 CB LEU C 623 22.542 11.131 27.472 1.00 34.85 C ATOM 1914 CG LEU C 623 23.567 10.029 27.735 1.00 41.76 C ATOM 1915 CD1 LEU C 623 22.889 8.848 28.415 1.00 47.53 C ATOM 1916 CD2 LEU C 623 24.264 9.583 26.454 1.00 47.90 C ATOM 1917 H LEU C 623 23.626 12.978 28.982 1.00 0.00 H ATOM 1918 N ARG C 624 21.497 13.185 25.205 1.00 53.07 N ATOM 1919 CA ARG C 624 20.374 13.904 24.619 1.00 54.89 C ATOM 1920 C ARG C 624 19.557 13.005 23.701 1.00 53.72 C ATOM 1921 O ARG C 624 20.000 11.923 23.311 1.00 49.77 O ATOM 1922 CB ARG C 624 20.859 15.158 23.888 1.00 44.86 C ATOM 1923 CG ARG C 624 21.556 16.185 24.796 1.00 42.58 C ATOM 1924 CD ARG C 624 20.544 16.868 25.720 1.00 49.80 C ATOM 1925 NE ARG C 624 21.115 17.885 26.614 1.00 53.98 N ATOM 1926 CZ ARG C 624 21.844 17.612 27.697 1.00 59.96 C ATOM 1927 NH1 ARG C 624 22.130 16.354 28.010 1.00 56.80 N ATOM 1928 NH2 ARG C 624 22.306 18.595 28.458 1.00 58.92 N ATOM 1929 HE ARG C 624 20.939 18.885 26.387 1.00 0.00 H ATOM 1930 HH12 ARG C 624 22.699 16.145 28.855 1.00 0.00 H ATOM 1931 HH11 ARG C 624 21.785 15.578 27.410 1.00 0.00 H ATOM 1932 HH22 ARG C 624 22.874 18.377 29.301 1.00 0.00 H ATOM 1933 HH21 ARG C 624 22.100 19.584 28.211 1.00 0.00 H ATOM 1934 H ARG C 624 22.091 12.588 24.595 1.00 0.00 H ATOM 1935 N THR C 625 18.346 13.453 23.393 1.00 58.42 N ATOM 1936 CA THR C 625 17.421 12.701 22.556 1.00 63.01 C ATOM 1937 C THR C 625 18.015 12.456 21.173 1.00 58.21 C ATOM 1938 O THR C 625 18.484 13.385 20.521 1.00 55.83 O ATOM 1939 CB THR C 625 16.077 13.458 22.416 1.00 71.17 C ATOM 1940 OG1 THR C 625 15.376 13.415 23.663 1.00 71.15 O ATOM 1941 CG2 THR C 625 15.199 12.843 21.331 1.00 70.08 C ATOM 1942 HG1 THR C 625 14.517 13.899 23.574 1.00 0.00 H ATOM 1943 H THR C 625 18.046 14.377 23.764 1.00 0.00 H ATOM 1944 N GLY C 626 18.015 11.202 20.738 1.00 56.50 N ATOM 1945 CA GLY C 626 18.549 10.856 19.432 1.00 45.16 C ATOM 1946 C GLY C 626 19.982 10.345 19.398 1.00 46.61 C ATOM 1947 O GLY C 626 20.504 10.036 18.331 1.00 45.19 O ATOM 1948 H GLY C 626 17.625 10.452 21.344 1.00 0.00 H ATOM 1949 N ASP C 627 20.637 10.248 20.550 1.00 51.87 N ATOM 1950 CA ASP C 627 22.002 9.738 20.553 1.00 41.68 C ATOM 1951 C ASP C 627 21.976 8.255 20.223 1.00 44.78 C ATOM 1952 O ASP C 627 21.071 7.540 20.643 1.00 46.80 O ATOM 1953 CB ASP C 627 22.669 9.960 21.906 1.00 41.84 C ATOM 1954 CG ASP C 627 22.999 11.416 22.164 1.00 52.36 C ATOM 1955 OD1 ASP C 627 23.041 12.196 21.186 1.00 49.27 O ATOM 1956 OD2 ASP C 627 23.226 11.775 23.349 1.00 54.20 O ATOM 1957 H ASP C 627 20.180 10.533 21.440 1.00 0.00 H ATOM 1958 N PHE C 628 22.966 7.791 19.471 1.00 48.75 N ATOM 1959 CA PHE C 628 23.072 6.366 19.166 1.00 40.91 C ATOM 1960 C PHE C 628 24.056 5.638 20.083 1.00 40.05 C ATOM 1961 O PHE C 628 25.185 6.082 20.270 1.00 41.13 O ATOM 1962 CB PHE C 628 23.451 6.161 17.702 1.00 36.61 C ATOM 1963 CG PHE C 628 22.397 6.619 16.732 1.00 43.56 C ATOM 1964 CD1 PHE C 628 22.357 7.945 16.294 1.00 48.68 C ATOM 1965 CD2 PHE C 628 21.447 5.729 16.250 1.00 33.72 C ATOM 1966 CE1 PHE C 628 21.400 8.369 15.393 1.00 42.45 C ATOM 1967 CE2 PHE C 628 20.479 6.144 15.348 1.00 32.95 C ATOM 1968 CZ PHE C 628 20.460 7.469 14.915 1.00 43.04 C ATOM 1969 H PHE C 628 23.676 8.451 19.094 1.00 0.00 H ATOM 1970 N LEU C 629 23.617 4.517 20.649 1.00 45.72 N ATOM 1971 CA LEU C 629 24.451 3.725 21.553 1.00 41.61 C ATOM 1972 C LEU C 629 25.476 2.887 20.803 1.00 45.78 C ATOM 1973 O LEU C 629 25.113 2.069 19.951 1.00 44.22 O ATOM 1974 CB LEU C 629 23.590 2.795 22.395 1.00 44.41 C ATOM 1975 CG LEU C 629 22.885 3.393 23.609 1.00 50.06 C ATOM 1976 CD1 LEU C 629 21.866 4.468 23.222 1.00 48.79 C ATOM 1977 CD2 LEU C 629 22.219 2.276 24.379 1.00 47.89 C ATOM 1978 H LEU C 629 22.650 4.193 20.442 1.00 0.00 H ATOM 1979 N ILE C 630 26.753 3.080 21.135 1.00 45.47 N ATOM 1980 CA ILE C 630 27.839 2.331 20.502 1.00 41.42 C ATOM 1981 C ILE C 630 28.303 1.236 21.456 1.00 44.20 C ATOM 1982 O ILE C 630 28.413 0.064 21.087 1.00 39.31 O ATOM 1983 CB ILE C 630 29.048 3.256 20.129 1.00 38.20 C ATOM 1984 CG1 ILE C 630 28.596 4.475 19.313 1.00 38.12 C ATOM 1985 CG2 ILE C 630 30.138 2.470 19.388 1.00 28.37 C ATOM 1986 CD1 ILE C 630 27.670 4.135 18.163 1.00 36.96 C ATOM 1987 H ILE C 630 26.984 3.784 21.865 1.00 0.00 H ATOM 1988 N GLU C 631 28.579 1.640 22.691 1.00 44.72 N ATOM 1989 CA GLU C 631 28.999 0.713 23.723 1.00 47.27 C ATOM 1990 C GLU C 631 28.118 0.906 24.933 1.00 49.47 C ATOM 1991 O GLU C 631 27.661 2.020 25.211 1.00 48.06 O ATOM 1992 CB GLU C 631 30.462 0.936 24.121 1.00 38.12 C ATOM 1993 CG GLU C 631 31.502 0.255 23.249 1.00 44.31 C ATOM 1994 CD GLU C 631 32.927 0.732 23.543 1.00 57.66 C ATOM 1995 OE1 GLU C 631 33.833 0.499 22.692 1.00 52.74 O ATOM 1996 OE2 GLU C 631 33.133 1.348 24.625 1.00 61.17 O ATOM 1997 H GLU C 631 28.491 2.650 22.924 1.00 0.00 H ATOM 1998 N VAL C 632 27.876 -0.199 25.628 1.00 44.57 N ATOM 1999 CA VAL C 632 27.246 -0.199 26.936 1.00 36.07 C ATOM 2000 C VAL C 632 28.127 -0.980 27.907 1.00 39.86 C ATOM 2001 O VAL C 632 28.405 -2.175 27.696 1.00 41.46 O ATOM 2002 CB VAL C 632 25.868 -0.856 26.906 1.00 41.45 C ATOM 2003 CG1 VAL C 632 25.421 -1.231 28.342 1.00 49.68 C ATOM 2004 CG2 VAL C 632 24.857 0.060 26.217 1.00 31.11 C ATOM 2005 H VAL C 632 28.152 -1.112 25.214 1.00 0.00 H ATOM 2006 N ASN C 633 28.570 -0.296 28.960 1.00 31.04 N ATOM 2007 CA ASN C 633 29.484 -0.891 29.924 1.00 38.81 C ATOM 2008 C ASN C 633 30.654 -1.630 29.249 1.00 42.31 C ATOM 2009 O ASN C 633 31.006 -2.756 29.614 1.00 41.09 O ATOM 2010 CB ASN C 633 28.713 -1.787 30.912 1.00 37.78 C ATOM 2011 CG ASN C 633 27.654 -1.011 31.694 1.00 47.89 C ATOM 2012 OD1 ASN C 633 27.853 0.164 32.039 1.00 45.13 O ATOM 2013 ND2 ASN C 633 26.514 -1.651 31.955 1.00 32.40 N ATOM 2014 HD22 ASN C 633 26.389 -2.637 31.647 1.00 0.00 H ATOM 2015 HD21 ASN C 633 25.750 -1.165 32.466 1.00 0.00 H ATOM 2016 H ASN C 633 28.256 0.686 29.097 1.00 0.00 H ATOM 2017 N GLY C 634 31.232 -0.978 28.242 1.00 51.22 N ATOM 2018 CA GLY C 634 32.389 -1.499 27.529 1.00 44.09 C ATOM 2019 C GLY C 634 32.077 -2.491 26.425 1.00 40.33 C ATOM 2020 O GLY C 634 32.974 -2.887 25.671 1.00 55.24 O ATOM 2021 H GLY C 634 30.841 -0.059 27.953 1.00 0.00 H ATOM 2022 N VAL C 635 30.810 -2.889 26.331 1.00 29.89 N ATOM 2023 CA VAL C 635 30.370 -3.909 25.379 1.00 38.87 C ATOM 2024 C VAL C 635 29.755 -3.278 24.127 1.00 40.14 C ATOM 2025 O VAL C 635 28.821 -2.482 24.235 1.00 42.64 O ATOM 2026 CB VAL C 635 29.321 -4.835 26.037 1.00 45.17 C ATOM 2027 CG1 VAL C 635 28.841 -5.916 25.070 1.00 31.01 C ATOM 2028 CG2 VAL C 635 29.892 -5.456 27.307 1.00 38.69 C ATOM 2029 H VAL C 635 30.104 -2.457 26.960 1.00 0.00 H ATOM 2030 N ASN C 636 30.279 -3.636 22.952 1.00 38.28 N ATOM 2031 CA ASN C 636 29.817 -3.072 21.672 1.00 33.58 C ATOM 2032 C ASN C 636 28.379 -3.479 21.364 1.00 33.86 C ATOM 2033 O ASN C 636 28.080 -4.669 21.313 1.00 44.50 O ATOM 2034 CB ASN C 636 30.739 -3.511 20.514 1.00 36.80 C ATOM 2035 CG ASN C 636 30.444 -2.768 19.192 1.00 47.62 C ATOM 2036 OD1 ASN C 636 29.295 -2.662 18.757 1.00 40.81 O ATOM 2037 ND2 ASN C 636 31.494 -2.249 18.557 1.00 46.41 N ATOM 2038 HD22 ASN C 636 32.449 -2.359 18.955 1.00 0.00 H ATOM 2039 HD21 ASN C 636 31.359 -1.734 17.664 1.00 0.00 H ATOM 2040 H ASN C 636 31.044 -4.341 22.940 1.00 0.00 H ATOM 2041 N VAL C 637 27.498 -2.498 21.139 1.00 28.83 N ATOM 2042 CA VAL C 637 26.077 -2.787 20.930 1.00 32.52 C ATOM 2043 C VAL C 637 25.520 -2.277 19.600 1.00 37.67 C ATOM 2044 O VAL C 637 24.296 -2.250 19.393 1.00 38.74 O ATOM 2045 CB VAL C 637 25.202 -2.226 22.083 1.00 37.41 C ATOM 2046 CG1 VAL C 637 25.531 -2.926 23.400 1.00 28.84 C ATOM 2047 CG2 VAL C 637 25.370 -0.713 22.193 1.00 31.66 C ATOM 2048 H VAL C 637 27.828 -1.512 21.112 1.00 0.00 H ATOM 2049 N VAL C 638 26.421 -1.872 18.708 1.00 34.19 N ATOM 2050 CA VAL C 638 26.043 -1.230 17.452 1.00 36.94 C ATOM 2051 C VAL C 638 24.999 -2.049 16.679 1.00 50.87 C ATOM 2052 O VAL C 638 24.033 -1.506 16.136 1.00 60.35 O ATOM 2053 CB VAL C 638 27.287 -0.971 16.576 1.00 44.06 C ATOM 2054 CG1 VAL C 638 26.886 -0.460 15.194 1.00 42.37 C ATOM 2055 CG2 VAL C 638 28.259 0.014 17.287 1.00 27.49 C ATOM 2056 H VAL C 638 27.430 -2.018 18.913 1.00 0.00 H ATOM 2057 N LYS C 639 25.172 -3.364 16.694 1.00 48.26 N ATOM 2058 CA LYS C 639 24.321 -4.267 15.945 1.00 42.06 C ATOM 2059 C LYS C 639 23.489 -5.162 16.856 1.00 46.43 C ATOM 2060 O LYS C 639 22.933 -6.170 16.413 1.00 51.14 O ATOM 2061 CB LYS C 639 25.189 -5.132 15.033 1.00 41.45 C ATOM 2062 CG LYS C 639 26.108 -4.325 14.135 1.00 39.96 C ATOM 2063 CD LYS C 639 26.752 -5.207 13.086 1.00 50.41 C ATOM 2064 CE LYS C 639 27.610 -4.412 12.131 1.00 47.06 C ATOM 2065 NZ LYS C 639 28.335 -5.333 11.227 1.00 49.41 N ATOM 2066 HZ1 LYS C 639 28.939 -5.965 11.790 1.00 0.00 H ATOM 2067 HZ2 LYS C 639 27.649 -5.898 10.687 1.00 0.00 H ATOM 2068 HZ3 LYS C 639 28.924 -4.781 10.572 1.00 0.00 H ATOM 2069 H LYS C 639 25.946 -3.761 17.264 1.00 0.00 H ATOM 2070 N VAL C 640 23.382 -4.786 18.122 1.00 43.58 N ATOM 2071 CA VAL C 640 22.753 -5.657 19.113 1.00 39.49 C ATOM 2072 C VAL C 640 21.245 -5.425 19.257 1.00 44.57 C ATOM 2073 O VAL C 640 20.780 -4.279 19.253 1.00 40.66 O ATOM 2074 CB VAL C 640 23.468 -5.552 20.480 1.00 37.34 C ATOM 2075 CG1 VAL C 640 22.747 -6.368 21.519 1.00 51.00 C ATOM 2076 CG2 VAL C 640 24.892 -6.038 20.357 1.00 32.11 C ATOM 2077 H VAL C 640 23.751 -3.859 18.415 1.00 0.00 H ATOM 2078 N GLY C 641 20.492 -6.523 19.367 1.00 54.49 N ATOM 2079 CA GLY C 641 19.046 -6.480 19.539 1.00 53.30 C ATOM 2080 C GLY C 641 18.641 -5.689 20.766 1.00 51.30 C ATOM 2081 O GLY C 641 19.427 -5.537 21.701 1.00 53.45 O ATOM 2082 H GLY C 641 20.960 -7.451 19.328 1.00 0.00 H ATOM 2083 N HIS C 642 17.424 -5.165 20.755 1.00 52.06 N ATOM 2084 CA HIS C 642 16.958 -4.295 21.829 1.00 58.86 C ATOM 2085 C HIS C 642 16.906 -4.986 23.189 1.00 62.68 C ATOM 2086 O HIS C 642 17.341 -4.429 24.201 1.00 61.86 O ATOM 2087 CB HIS C 642 15.576 -3.761 21.492 1.00 59.67 C ATOM 2088 CG HIS C 642 15.048 -2.776 22.487 1.00 55.60 C ATOM 2089 ND1 HIS C 642 15.385 -1.438 22.461 1.00 53.67 N ATOM 2090 CD2 HIS C 642 14.195 -2.931 23.527 1.00 48.90 C ATOM 2091 CE1 HIS C 642 14.756 -0.811 23.437 1.00 54.11 C ATOM 2092 NE2 HIS C 642 14.027 -1.693 24.098 1.00 59.88 N ATOM 2093 H HIS C 642 16.786 -5.379 19.962 1.00 0.00 H ATOM 2094 N LYS C 643 16.361 -6.196 23.205 1.00 63.19 N ATOM 2095 CA LYS C 643 16.207 -6.942 24.446 1.00 67.89 C ATOM 2096 C LYS C 643 17.547 -7.111 25.145 1.00 65.01 C ATOM 2097 O LYS C 643 17.634 -7.004 26.357 1.00 65.53 O ATOM 2098 CB LYS C 643 15.588 -8.318 24.185 1.00 64.30 C ATOM 2099 CG LYS C 643 14.382 -8.622 25.048 1.00 71.55 C ATOM 2100 CD LYS C 643 14.050 -10.113 25.040 1.00 83.11 C ATOM 2101 CE LYS C 643 13.401 -10.548 23.731 1.00 81.07 C ATOM 2102 NZ LYS C 643 11.993 -10.073 23.619 1.00 75.65 N ATOM 2103 HZ1 LYS C 643 11.433 -10.463 24.404 1.00 0.00 H ATOM 2104 HZ2 LYS C 643 11.975 -9.034 23.661 1.00 0.00 H ATOM 2105 HZ3 LYS C 643 11.592 -10.392 22.714 1.00 0.00 H ATOM 2106 H LYS C 643 16.037 -6.620 22.312 1.00 0.00 H ATOM 2107 N GLN C 644 18.590 -7.363 24.367 1.00 63.70 N ATOM 2108 CA GLN C 644 19.887 -7.686 24.926 1.00 59.62 C ATOM 2109 C GLN C 644 20.594 -6.432 25.430 1.00 64.26 C ATOM 2110 O GLN C 644 21.300 -6.476 26.443 1.00 70.34 O ATOM 2111 CB GLN C 644 20.727 -8.425 23.887 1.00 64.65 C ATOM 2112 CG GLN C 644 19.903 -9.414 23.057 1.00 84.23 C ATOM 2113 CD GLN C 644 20.606 -9.837 21.783 1.00 95.91 C ATOM 2114 OE1 GLN C 644 21.744 -10.313 21.815 1.00 94.31 O ATOM 2115 NE2 GLN C 644 19.937 -9.649 20.648 1.00 96.19 N ATOM 2116 HE22 GLN C 644 18.979 -9.244 20.670 1.00 0.00 H ATOM 2117 HE21 GLN C 644 20.372 -9.907 19.739 1.00 0.00 H ATOM 2118 H GLN C 644 18.475 -7.328 23.334 1.00 0.00 H ATOM 2119 N VAL C 645 20.389 -5.310 24.743 1.00 54.75 N ATOM 2120 CA VAL C 645 21.005 -4.052 25.162 1.00 54.21 C ATOM 2121 C VAL C 645 20.408 -3.585 26.489 1.00 61.11 C ATOM 2122 O VAL C 645 21.126 -3.146 27.387 1.00 59.92 O ATOM 2123 CB VAL C 645 20.828 -2.945 24.122 1.00 49.30 C ATOM 2124 CG1 VAL C 645 21.461 -1.657 24.617 1.00 40.58 C ATOM 2125 CG2 VAL C 645 21.424 -3.365 22.789 1.00 53.63 C ATOM 2126 H VAL C 645 19.783 -5.329 23.898 1.00 0.00 H ATOM 2127 N VAL C 646 19.089 -3.698 26.599 1.00 54.46 N ATOM 2128 CA VAL C 646 18.369 -3.369 27.820 1.00 52.73 C ATOM 2129 C VAL C 646 18.860 -4.239 28.969 1.00 58.63 C ATOM 2130 O VAL C 646 19.019 -3.772 30.099 1.00 61.55 O ATOM 2131 CB VAL C 646 16.850 -3.574 27.630 1.00 59.13 C ATOM 2132 CG1 VAL C 646 16.145 -3.754 28.975 1.00 50.67 C ATOM 2133 CG2 VAL C 646 16.247 -2.417 26.815 1.00 58.95 C ATOM 2134 H VAL C 646 18.548 -4.036 25.778 1.00 0.00 H ATOM 2135 N GLY C 647 19.116 -5.505 28.663 1.00 54.11 N ATOM 2136 CA GLY C 647 19.650 -6.430 29.639 1.00 46.98 C ATOM 2137 C GLY C 647 20.981 -5.950 30.188 1.00 51.04 C ATOM 2138 O GLY C 647 21.197 -5.922 31.393 1.00 52.76 O ATOM 2139 H GLY C 647 18.928 -5.841 27.697 1.00 0.00 H ATOM 2140 N LEU C 648 21.870 -5.556 29.289 1.00 51.00 N ATOM 2141 CA LEU C 648 23.196 -5.117 29.671 1.00 52.75 C ATOM 2142 C LEU C 648 23.109 -3.931 30.606 1.00 57.15 C ATOM 2143 O LEU C 648 23.905 -3.798 31.549 1.00 50.22 O ATOM 2144 CB LEU C 648 23.975 -4.727 28.425 1.00 49.53 C ATOM 2145 CG LEU C 648 24.524 -5.930 27.675 1.00 48.99 C ATOM 2146 CD1 LEU C 648 24.990 -5.539 26.262 1.00 35.07 C ATOM 2147 CD2 LEU C 648 25.660 -6.526 28.494 1.00 39.94 C ATOM 2148 H LEU C 648 21.609 -5.562 28.282 1.00 0.00 H ATOM 2149 N ILE C 649 22.128 -3.076 30.339 1.00 50.18 N ATOM 2150 CA ILE C 649 21.931 -1.882 31.139 1.00 52.24 C ATOM 2151 C ILE C 649 21.441 -2.233 32.550 1.00 55.98 C ATOM 2152 O ILE C 649 21.979 -1.754 33.543 1.00 57.28 O ATOM 2153 CB ILE C 649 20.976 -0.910 30.435 1.00 47.43 C ATOM 2154 CG1 ILE C 649 21.683 -0.285 29.233 1.00 37.97 C ATOM 2155 CG2 ILE C 649 20.536 0.203 31.369 1.00 49.57 C ATOM 2156 CD1 ILE C 649 20.768 0.570 28.361 1.00 32.75 C ATOM 2157 H ILE C 649 21.489 -3.266 29.541 1.00 0.00 H ATOM 2158 N ARG C 650 20.432 -3.088 32.633 1.00 53.46 N ATOM 2159 CA ARG C 650 19.906 -3.489 33.925 1.00 56.65 C ATOM 2160 C ARG C 650 20.962 -4.225 34.765 1.00 63.37 C ATOM 2161 O ARG C 650 20.972 -4.100 35.984 1.00 63.80 O ATOM 2162 CB ARG C 650 18.616 -4.302 33.758 1.00 54.35 C ATOM 2163 CG ARG C 650 17.472 -3.470 33.150 1.00 59.73 C ATOM 2164 CD ARG C 650 16.136 -4.218 33.074 1.00 56.07 C ATOM 2165 NE ARG C 650 15.005 -3.293 32.978 1.00 51.48 N ATOM 2166 CZ ARG C 650 13.943 -3.482 32.197 1.00 68.70 C ATOM 2167 NH1 ARG C 650 13.871 -4.563 31.432 1.00 73.01 N ATOM 2168 NH2 ARG C 650 12.951 -2.591 32.173 1.00 68.44 N ATOM 2169 HE ARG C 650 15.033 -2.431 33.559 1.00 0.00 H ATOM 2170 HH12 ARG C 650 13.043 -4.713 30.821 1.00 0.00 H ATOM 2171 HH11 ARG C 650 14.643 -5.260 31.443 1.00 0.00 H ATOM 2172 HH22 ARG C 650 12.126 -2.748 31.560 1.00 0.00 H ATOM 2173 HH21 ARG C 650 13.002 -1.739 32.768 1.00 0.00 H ATOM 2174 H ARG C 650 20.013 -3.476 31.764 1.00 0.00 H ATOM 2175 N GLN C 651 21.874 -4.940 34.108 1.00 62.52 N ATOM 2176 CA GLN C 651 22.924 -5.685 34.806 1.00 64.34 C ATOM 2177 C GLN C 651 23.854 -4.793 35.610 1.00 61.71 C ATOM 2178 O GLN C 651 24.418 -5.218 36.623 1.00 70.07 O ATOM 2179 CB GLN C 651 23.756 -6.515 33.824 1.00 72.15 C ATOM 2180 CG GLN C 651 23.033 -7.739 33.276 1.00 87.85 C ATOM 2181 CD GLN C 651 23.891 -8.539 32.313 1.00 93.08 C ATOM 2182 OE1 GLN C 651 25.097 -8.693 32.520 1.00 90.37 O ATOM 2183 NE2 GLN C 651 23.274 -9.044 31.246 1.00 92.37 N ATOM 2184 HE22 GLN C 651 22.254 -8.888 31.113 1.00 0.00 H ATOM 2185 HE21 GLN C 651 23.812 -9.594 30.546 1.00 0.00 H ATOM 2186 H GLN C 651 21.839 -4.970 33.069 1.00 0.00 H ATOM 2187 N GLY C 652 24.014 -3.558 35.153 1.00 57.69 N ATOM 2188 CA GLY C 652 24.964 -2.642 35.750 1.00 54.71 C ATOM 2189 C GLY C 652 24.570 -2.062 37.096 1.00 53.52 C ATOM 2190 O GLY C 652 25.409 -1.466 37.766 1.00 47.80 O ATOM 2191 H GLY C 652 23.442 -3.239 34.345 1.00 0.00 H ATOM 2192 N GLY C 653 23.302 -2.224 37.478 1.00 55.54 N ATOM 2193 CA GLY C 653 22.793 -1.730 38.754 1.00 54.41 C ATOM 2194 C GLY C 653 22.587 -0.223 38.802 1.00 54.94 C ATOM 2195 O GLY C 653 21.810 0.339 38.024 1.00 51.50 O ATOM 2196 H GLY C 653 22.649 -2.723 36.840 1.00 0.00 H ATOM 2197 N ASN C 654 23.280 0.449 39.716 1.00 47.16 N ATOM 2198 CA ASN C 654 23.191 1.902 39.773 1.00 45.11 C ATOM 2199 C ASN C 654 24.180 2.655 38.874 1.00 50.27 C ATOM 2200 O ASN C 654 24.169 3.885 38.816 1.00 49.95 O ATOM 2201 CB ASN C 654 23.276 2.376 41.213 1.00 47.91 C ATOM 2202 CG ASN C 654 22.057 1.968 42.021 1.00 61.62 C ATOM 2203 OD1 ASN C 654 20.948 1.838 41.486 1.00 55.06 O ATOM 2204 ND2 ASN C 654 22.256 1.755 43.313 1.00 59.56 N ATOM 2205 HD22 ASN C 654 23.205 1.876 43.720 1.00 0.00 H ATOM 2206 HD21 ASN C 654 21.463 1.466 43.921 1.00 0.00 H ATOM 2207 H ASN C 654 23.885 -0.062 40.390 1.00 0.00 H ATOM 2208 N ARG C 655 25.010 1.910 38.153 1.00 49.70 N ATOM 2209 CA ARG C 655 26.040 2.508 37.316 1.00 51.95 C ATOM 2210 C ARG C 655 25.850 2.146 35.846 1.00 44.86 C ATOM 2211 O ARG C 655 25.531 1.011 35.507 1.00 42.56 O ATOM 2212 CB ARG C 655 27.430 2.082 37.790 1.00 57.59 C ATOM 2213 CG ARG C 655 27.712 2.360 39.273 1.00 74.11 C ATOM 2214 CD ARG C 655 29.203 2.190 39.634 1.00 72.95 C ATOM 2215 NE ARG C 655 30.056 3.008 38.769 1.00 69.36 N ATOM 2216 CZ ARG C 655 30.823 2.521 37.794 1.00 63.52 C ATOM 2217 NH1 ARG C 655 30.872 1.212 37.567 1.00 52.36 N ATOM 2218 NH2 ARG C 655 31.552 3.342 37.049 1.00 67.20 N ATOM 2219 HE ARG C 655 30.064 4.036 38.926 1.00 0.00 H ATOM 2220 HH12 ARG C 655 31.473 0.839 36.805 1.00 0.00 H ATOM 2221 HH11 ARG C 655 30.310 0.561 38.152 1.00 0.00 H ATOM 2222 HH22 ARG C 655 32.150 2.961 36.288 1.00 0.00 H ATOM 2223 HH21 ARG C 655 31.525 4.367 37.226 1.00 0.00 H ATOM 2224 H ARG C 655 24.922 0.874 38.187 1.00 0.00 H ATOM 2225 N LEU C 656 26.027 3.127 34.975 1.00 40.59 N ATOM 2226 CA LEU C 656 25.911 2.882 33.544 1.00 46.07 C ATOM 2227 C LEU C 656 26.925 3.710 32.774 1.00 45.89 C ATOM 2228 O LEU C 656 26.989 4.934 32.910 1.00 43.34 O ATOM 2229 CB LEU C 656 24.490 3.145 33.026 1.00 36.29 C ATOM 2230 CG LEU C 656 24.357 3.139 31.498 1.00 39.26 C ATOM 2231 CD1 LEU C 656 24.699 1.778 30.870 1.00 32.13 C ATOM 2232 CD2 LEU C 656 22.961 3.587 31.081 1.00 43.61 C ATOM 2233 H LEU C 656 26.251 4.083 35.316 1.00 0.00 H ATOM 2234 N VAL C 657 27.730 3.016 31.984 1.00 38.56 N ATOM 2235 CA VAL C 657 28.715 3.660 31.140 1.00 42.06 C ATOM 2236 C VAL C 657 28.344 3.421 29.681 1.00 45.02 C ATOM 2237 O VAL C 657 28.302 2.280 29.220 1.00 46.69 O ATOM 2238 CB VAL C 657 30.094 3.089 31.402 1.00 41.28 C ATOM 2239 CG1 VAL C 657 31.087 3.689 30.439 1.00 33.35 C ATOM 2240 CG2 VAL C 657 30.497 3.346 32.849 1.00 43.84 C ATOM 2241 H VAL C 657 27.653 1.979 31.969 1.00 0.00 H ATOM 2242 N MET C 658 28.054 4.498 28.965 1.00 38.88 N ATOM 2243 CA MET C 658 27.587 4.382 27.593 1.00 41.37 C ATOM 2244 C MET C 658 28.443 5.200 26.646 1.00 47.70 C ATOM 2245 O MET C 658 28.718 6.372 26.912 1.00 46.89 O ATOM 2246 CB MET C 658 26.134 4.845 27.480 1.00 41.19 C ATOM 2247 CG MET C 658 25.135 3.890 28.100 1.00 55.23 C ATOM 2248 SD MET C 658 23.435 4.095 27.527 1.00 70.76 S ATOM 2249 CE MET C 658 23.478 5.772 26.915 1.00 50.50 C ATOM 2250 H MET C 658 28.162 5.441 29.391 1.00 0.00 H ATOM 2251 N LYS C 659 28.864 4.589 25.542 1.00 38.79 N ATOM 2252 CA LYS C 659 29.528 5.353 24.492 1.00 37.08 C ATOM 2253 C LYS C 659 28.465 5.662 23.453 1.00 37.64 C ATOM 2254 O LYS C 659 27.799 4.763 22.947 1.00 39.63 O ATOM 2255 CB LYS C 659 30.699 4.571 23.876 1.00 33.11 C ATOM 2256 CG LYS C 659 31.405 5.315 22.737 1.00 39.81 C ATOM 2257 CD LYS C 659 32.664 4.608 22.235 1.00 44.92 C ATOM 2258 CE LYS C 659 33.367 5.453 21.170 1.00 55.65 C ATOM 2259 NZ LYS C 659 34.756 5.022 20.845 1.00 55.07 N ATOM 2260 HZ1 LYS C 659 35.343 5.071 21.702 1.00 0.00 H ATOM 2261 HZ2 LYS C 659 34.740 4.045 20.490 1.00 0.00 H ATOM 2262 HZ3 LYS C 659 35.151 5.650 20.117 1.00 0.00 H ATOM 2263 H LYS C 659 28.720 3.565 25.427 1.00 0.00 H ATOM 2264 N VAL C 660 28.271 6.934 23.159 1.00 37.02 N ATOM 2265 CA VAL C 660 27.232 7.296 22.205 1.00 40.78 C ATOM 2266 C VAL C 660 27.775 8.204 21.130 1.00 30.39 C ATOM 2267 O VAL C 660 28.857 8.744 21.275 1.00 34.79 O ATOM 2268 CB VAL C 660 26.039 8.011 22.883 1.00 38.93 C ATOM 2269 CG1 VAL C 660 25.429 7.129 23.958 1.00 35.33 C ATOM 2270 CG2 VAL C 660 26.487 9.342 23.455 1.00 36.81 C ATOM 2271 H VAL C 660 28.855 7.671 23.604 1.00 0.00 H ATOM 2272 N VAL C 661 27.008 8.375 20.060 1.00 34.58 N ATOM 2273 CA VAL C 661 27.317 9.381 19.047 1.00 40.59 C ATOM 2274 C VAL C 661 26.109 10.279 18.794 1.00 46.42 C ATOM 2275 O VAL C 661 24.969 9.816 18.718 1.00 46.74 O ATOM 2276 CB VAL C 661 27.804 8.767 17.701 1.00 53.59 C ATOM 2277 CG1 VAL C 661 29.131 8.070 17.879 1.00 53.65 C ATOM 2278 CG2 VAL C 661 26.788 7.802 17.154 1.00 59.69 C ATOM 2279 H VAL C 661 26.165 7.777 19.940 1.00 0.00 H ATOM 2280 N SER C 662 26.377 11.574 18.687 1.00 42.96 N ATOM 2281 CA SER C 662 25.363 12.544 18.338 1.00 46.27 C ATOM 2282 C SER C 662 25.574 12.903 16.881 1.00 60.09 C ATOM 2283 O SER C 662 26.653 13.361 16.487 1.00 59.25 O ATOM 2284 CB SER C 662 25.514 13.799 19.190 1.00 54.37 C ATOM 2285 OG SER C 662 25.672 13.466 20.560 1.00 67.53 O ATOM 2286 HG SER C 662 24.877 12.964 20.870 1.00 0.00 H ATOM 2287 H SER C 662 27.349 11.902 18.860 1.00 0.00 H ATOM 2288 N VAL C 663 24.550 12.681 16.073 1.00 59.10 N ATOM 2289 CA VAL C 663 24.595 13.142 14.702 1.00 64.72 C ATOM 2290 C VAL C 663 23.786 14.421 14.502 1.00 64.46 C ATOM 2291 O VAL C 663 22.582 14.461 14.754 1.00 63.19 O ATOM 2292 CB VAL C 663 24.091 12.079 13.733 1.00 65.38 C ATOM 2293 CG1 VAL C 663 24.192 12.607 12.328 1.00 64.02 C ATOM 2294 CG2 VAL C 663 24.901 10.810 13.887 1.00 63.57 C ATOM 2295 H VAL C 663 23.712 12.175 16.424 1.00 0.00 H ATOM 2296 N THR C 664 24.454 15.471 14.050 1.00 66.76 N ATOM 2297 CA THR C 664 23.757 16.697 13.702 1.00 69.84 C ATOM 2298 C THR C 664 24.183 17.162 12.315 1.00 69.53 C ATOM 2299 O THR C 664 25.209 16.723 11.795 1.00 60.24 O ATOM 2300 CB THR C 664 24.009 17.812 14.735 1.00 78.17 C ATOM 2301 OG1 THR C 664 23.214 18.957 14.400 1.00 97.71 O ATOM 2302 CG2 THR C 664 25.475 18.209 14.752 1.00 74.60 C ATOM 2303 HG1 THR C 664 22.256 18.706 14.409 1.00 0.00 H ATOM 2304 H THR C 664 25.487 15.417 13.943 1.00 0.00 H ATOM 2305 N ARG C 665 23.400 18.059 11.722 1.00 78.85 N ATOM 2306 CA ARG C 665 23.685 18.549 10.378 1.00 81.74 C ATOM 2307 C ARG C 665 23.571 20.078 10.326 1.00 97.05 C ATOM 2308 O ARG C 665 24.564 20.783 10.527 1.00 95.46 O ATOM 2309 CB ARG C 665 22.745 17.873 9.371 1.00 76.19 C ATOM 2310 CG ARG C 665 22.998 18.200 7.915 1.00 78.59 C ATOM 2311 CD ARG C 665 22.221 17.259 7.005 1.00 79.11 C ATOM 2312 OXT ARG C 665 22.501 20.656 10.104 1.00106.73 O ATOM 2313 H ARG C 665 22.566 18.419 12.228 1.00 0.00 H TER 2314 ARG C 665 HETATM 2315 O HOH 1 11.420 3.681 9.410 1.00 71.82 O HETATM 2316 O HOH 2 15.268 18.109 16.032 1.00 60.24 O HETATM 2317 O HOH 3 12.965 38.438 36.605 1.00 55.12 O HETATM 2318 O HOH 4 14.112 21.011 14.742 1.00 44.42 O HETATM 2319 O HOH 5 6.134 44.162 26.840 1.00 53.90 O HETATM 2320 O HOH 6 -1.256 38.308 21.714 1.00 34.45 O HETATM 2321 O HOH 7 2.368 29.970 26.418 1.00 54.34 O HETATM 2322 O HOH 8 19.752 28.692 25.885 1.00 67.03 O HETATM 2323 O HOH 9 21.418 -1.172 2.070 1.00 34.79 O HETATM 2324 O HOH 10 13.673 31.957 9.897 1.00 43.01 O HETATM 2325 O HOH 11 13.714 29.106 28.033 1.00 44.09 O HETATM 2326 O HOH 12 13.455 32.675 30.711 1.00 42.14 O HETATM 2327 O HOH 13 18.689 23.233 25.722 1.00 64.94 O HETATM 2328 O HOH 14 10.307 34.934 4.909 1.00 56.52 O HETATM 2329 O HOH 15 3.202 35.069 14.798 1.00 43.81 O HETATM 2330 O HOH 16 13.530 20.884 18.024 1.00 35.66 O HETATM 2331 O HOH 17 10.072 19.618 19.832 1.00 45.87 O HETATM 2332 O HOH 18 18.933 39.366 0.307 1.00 44.29 O HETATM 2333 O HOH 19 17.401 24.534 2.639 1.00 32.22 O HETATM 2334 O HOH 20 8.415 39.612 20.391 1.00 43.57 O HETATM 2335 O HOH 21 15.696 7.978 15.274 1.00 51.43 O HETATM 2336 O HOH 22 4.773 32.448 28.449 1.00 42.87 O HETATM 2337 O HOH 23 6.071 30.673 28.805 1.00 41.34 O HETATM 2338 O HOH 24 2.666 28.323 23.980 1.00 49.86 O HETATM 2339 O HOH 25 18.877 3.297 3.730 1.00 61.29 O HETATM 2340 O HOH 26 21.445 40.040 9.334 1.00 30.60 O HETATM 2341 O HOH 27 29.702 27.716 15.236 1.00 55.05 O HETATM 2342 O HOH 28 15.821 21.956 24.352 1.00 47.96 O HETATM 2343 O HOH 29 6.079 15.691 7.919 1.00 65.73 O HETATM 2344 O HOH 30 25.338 -4.641 -0.892 1.00 61.61 O HETATM 2345 O HOH 31 15.847 31.884 30.830 1.00 49.25 O HETATM 2346 O HOH 32 24.751 -9.345 -8.523 1.00 36.23 O HETATM 2347 O HOH 33 28.657 -8.415 2.886 1.00 41.70 O HETATM 2348 O HOH 34 1.449 23.617 19.062 1.00 55.73 O HETATM 2349 O HOH 35 16.322 17.255 3.142 1.00 33.22 O HETATM 2350 O HOH 36 10.599 25.440 -1.066 1.00 54.20 O HETATM 2351 O HOH 37 29.307 -5.043 2.198 1.00 48.09 O HETATM 2352 O HOH 38 0.269 23.898 16.728 1.00 59.57 O HETATM 2353 O HOH 39 17.803 16.144 15.012 1.00 66.48 O HETATM 2354 O HOH 40 24.976 33.313 25.780 1.00 53.39 O HETATM 2355 O HOH 41 25.445 26.375 10.985 1.00 45.03 O HETATM 2356 O HOH 42 25.130 39.248 17.962 1.00 64.86 O HETATM 2357 O HOH 43 28.272 23.719 -15.124 1.00 60.99 O HETATM 2358 O HOH 44 24.142 37.278 22.074 1.00 61.88 O HETATM 2359 O HOH 45 20.755 26.177 -17.711 1.00 25.28 O HETATM 2360 O HOH 46 31.273 24.288 -4.983 1.00 55.86 O HETATM 2361 O HOH 47 23.645 28.893 -15.243 1.00 46.44 O HETATM 2362 O HOH 48 25.759 19.240 -7.083 1.00 42.37 O HETATM 2363 O HOH 49 30.019 19.035 0.665 1.00 58.74 O HETATM 2364 O HOH 50 32.324 18.662 0.000 1.00 67.30 O HETATM 2365 O HOH 51 25.829 34.053 21.949 1.00 58.36 O HETATM 2366 O HOH 52 21.663 20.903 6.143 1.00 32.44 O HETATM 2367 O HOH 53 28.141 19.016 2.386 1.00 46.71 O HETATM 2368 O HOH 54 13.896 30.795 -16.063 1.00 51.76 O HETATM 2369 O HOH 55 20.121 24.164 -3.574 1.00 43.59 O HETATM 2370 O HOH 56 22.272 11.638 16.878 1.00 56.81 O HETATM 2371 O HOH 57 13.543 14.278 25.366 1.00 49.79 O HETATM 2372 O HOH 58 36.412 7.439 19.393 1.00 47.39 O HETATM 2373 O HOH 59 33.520 2.854 35.326 1.00 42.88 O HETATM 2374 O HOH 60 27.842 -4.583 17.596 1.00 38.41 O HETATM 2375 O HOH 61 17.676 11.979 32.397 1.00 56.22 O HETATM 2376 O HOH 62 24.541 -0.444 33.448 1.00 52.65 O HETATM 2377 O HOH 63 18.428 32.898 -13.044 1.00 34.83 O HETATM 2378 O HOH 64 22.230 2.504 8.586 1.00 45.12 O HETATM 2379 O HOH 65 21.217 20.916 -0.274 1.00 38.69 O HETATM 2380 O HOH 66 23.109 0.255 19.137 1.00 33.34 O HETATM 2381 O HOH 67 15.960 33.748 -11.547 1.00 48.82 O HETATM 2382 O HOH 68 32.107 -5.815 22.829 1.00 36.10 O HETATM 2383 O HOH 69 14.409 31.475 -9.840 1.00 36.64 O HETATM 2384 O HOH 70 20.686 18.282 13.263 1.00 64.59 O HETATM 2385 O HOH 71 36.315 11.675 17.782 1.00 62.77 O HETATM 2386 O HOH 72 20.504 28.793 -15.228 1.00 51.82 O HETATM 2387 O HOH 73 17.445 22.413 -5.163 1.00 57.37 O HETATM 2388 O HOH 74 15.096 -7.804 20.906 1.00 54.22 O HETATM 2389 O HOH 75 24.641 12.438 35.808 1.00 42.00 O HETATM 2390 O HOH 76 27.726 24.284 7.834 1.00 40.32 O HETATM 2391 O HOH 77 29.037 11.760 31.468 1.00 61.79 O HETATM 2392 O HOH 78 23.932 18.411 30.913 1.00 49.90 O HETATM 2393 O HOH 79 14.435 -0.611 34.171 1.00 51.46 O HETATM 2394 O HOH 80 25.579 -0.313 41.500 1.00 34.12 O HETATM 2395 O HOH 81 26.086 10.579 36.994 1.00 46.98 O HETATM 2396 O HOH 82 23.713 9.176 5.653 1.00 41.48 O HETATM 2397 O HOH 83 33.484 -4.387 28.513 1.00 60.72 O HETATM 2398 O HOH 84 32.933 14.286 12.640 1.00 47.45 O HETATM 2399 O HOH 85 28.361 15.117 4.912 1.00 48.68 O HETATM 2400 O HOH 86 24.646 18.412 -4.157 1.00 41.79 O HETATM 2401 O HOH 87 30.978 15.870 23.573 1.00 49.56 O HETATM 2402 O HOH 88 12.877 32.405 -14.251 1.00 47.70 O HETATM 2403 O HOH 89 30.582 28.096 12.498 1.00 39.54 O HETATM 2404 O HOH 90 27.653 -5.355 6.148 1.00 75.24 O HETATM 2405 O HOH 91 18.935 18.031 -3.745 1.00 49.03 O HETATM 2406 O HOH 92 12.954 32.457 -11.882 1.00 57.07 O HETATM 2407 O HOH 93 29.944 22.338 6.821 1.00 53.28 O HETATM 2408 O HOH 94 15.038 32.759 -7.474 1.00 54.64 O HETATM 2409 O HOH 95 11.355 4.410 14.120 1.00 49.07 O HETATM 2410 N ALA A 96 23.510 26.056 -16.521 1.00 0.24 N HETATM 2411 CA ALA A 96 23.301 25.332 -15.267 1.00 0.06 C HETATM 2412 C ALA A 96 24.566 25.239 -14.415 1.00 0.23 C HETATM 2413 O ALA A 96 25.666 25.024 -14.934 1.00 -0.39 O HETATM 2414 N ALA A 96 24.404 25.392 -13.101 1.00 -0.26 N HETATM 2415 CA ALA A 96 25.527 25.243 -12.193 1.00 0.14 C HETATM 2416 C ALA A 96 25.119 24.879 -10.752 1.00 0.21 C HETATM 2417 O ALA A 96 23.999 25.149 -10.301 1.00 -0.39 O HETATM 2418 N ALA A 96 26.044 24.266 -10.028 1.00 -0.26 N HETATM 2419 CA ALA A 96 25.829 23.991 -8.620 1.00 0.15 C HETATM 2420 C ALA A 96 27.050 24.439 -7.822 1.00 0.21 C HETATM 2421 O ALA A 96 28.168 23.983 -8.079 1.00 -0.39 O HETATM 2422 N ALA A 96 26.847 25.345 -6.869 1.00 -0.26 N HETATM 2423 CA ALA A 96 27.974 25.905 -6.129 1.00 0.13 C HETATM 2424 C ALA A 96 27.724 25.937 -4.636 1.00 0.20 C HETATM 2425 O ALA A 96 26.628 26.290 -4.185 1.00 -0.39 O HETATM 2426 N ALA A 96 28.741 25.559 -3.867 1.00 -0.26 N HETATM 2427 CA ALA A 96 28.655 25.610 -2.409 1.00 0.13 C HETATM 2428 C ALA A 96 29.238 26.906 -1.877 1.00 0.20 C HETATM 2429 O ALA A 96 30.283 27.361 -2.338 1.00 -0.39 O HETATM 2430 N ALA A 96 28.550 27.500 -0.910 1.00 -0.26 N HETATM 2431 CA ALA A 96 28.979 28.760 -0.318 1.00 0.13 C HETATM 2432 C ALA A 96 28.703 28.823 1.176 1.00 0.20 C HETATM 2433 O ALA A 96 27.632 28.426 1.661 1.00 -0.39 O HETATM 2434 N ALA A 96 29.672 29.346 1.907 1.00 -0.26 N HETATM 2435 CA ALA A 96 29.449 29.628 3.302 1.00 0.14 C HETATM 2436 C ALA A 96 28.796 30.991 3.425 1.00 0.21 C HETATM 2437 O ALA A 96 29.362 32.001 3.014 1.00 -0.39 O HETATM 2438 N ALA A 96 27.582 30.996 3.958 1.00 -0.26 N HETATM 2439 CA ALA A 96 26.909 32.225 4.326 1.00 0.13 C HETATM 2440 C ALA A 96 27.117 32.440 5.808 1.00 0.21 C HETATM 2441 O ALA A 96 26.931 31.525 6.605 1.00 -0.39 O HETATM 2442 N ALA A 96 27.534 33.647 6.184 1.00 -0.25 N HETATM 2443 CA ALA A 96 27.778 33.924 7.601 1.00 0.13 C HETATM 2444 C ALA A 96 26.487 33.906 8.442 1.00 0.20 C HETATM 2445 O ALA A 96 25.400 34.218 7.954 1.00 -0.39 O HETATM 2446 N ALA A 96 26.623 33.509 9.703 1.00 -0.26 N HETATM 2447 CA ALA A 96 25.490 33.412 10.620 1.00 0.13 C HETATM 2448 C ALA A 96 25.769 34.187 11.907 1.00 0.20 C HETATM 2449 O ALA A 96 26.916 34.323 12.344 1.00 -0.39 O HETATM 2450 N ALA A 96 24.711 34.699 12.515 1.00 -0.26 N HETATM 2451 CA ALA A 96 24.861 35.416 13.758 1.00 0.13 C HETATM 2452 C ALA A 96 24.154 34.667 14.875 1.00 0.20 C HETATM 2453 O ALA A 96 23.230 33.890 14.624 1.00 -0.39 O HETATM 2454 N ALA A 96 24.613 34.900 16.102 1.00 -0.26 N HETATM 2455 CA ALA A 96 23.987 34.372 17.314 1.00 0.13 C HETATM 2456 C ALA A 96 23.563 35.518 18.214 1.00 0.20 C HETATM 2457 O ALA A 96 24.290 36.501 18.388 1.00 -0.39 O HETATM 2458 N ALA A 96 22.386 35.383 18.799 1.00 -0.26 N HETATM 2459 CA ALA A 96 21.856 36.422 19.658 1.00 0.16 C HETATM 2460 C ALA A 96 21.049 35.808 20.788 1.00 0.21 C HETATM 2461 O ALA A 96 20.060 35.115 20.555 1.00 -0.39 O HETATM 2462 N ALA A 96 21.495 36.045 22.015 1.00 -0.26 N HETATM 2463 CA ALA A 96 20.760 35.593 23.180 1.00 0.13 C HETATM 2464 C ALA A 96 19.607 36.554 23.429 1.00 0.20 C HETATM 2465 O ALA A 96 19.802 37.770 23.445 1.00 -0.39 O HETATM 2466 N ALA A 96 18.406 36.002 23.596 1.00 -0.27 N HETATM 2467 CA ALA A 96 17.222 36.799 23.902 1.00 0.09 C HETATM 2468 C ALA A 96 16.440 36.246 25.105 1.00 0.06 C HETATM 2469 O ALA A 96 16.792 35.207 25.672 1.00 -0.57 O HETATM 2470 OXT ALA A 96 15.446 36.829 25.560 1.00 -0.57 O HETATM 2471 CB ALA A 96 16.324 36.911 22.667 1.00 -0.02 C HETATM 2472 CG ALA A 96 17.037 37.563 21.468 1.00 -0.04 C HETATM 2473 CD1 ALA A 96 16.510 37.054 20.131 1.00 -0.06 C HETATM 2474 H116 ALA A 96 17.051 37.550 19.311 1.00 0.02 H HETATM 2475 H117 ALA A 96 15.436 37.279 20.051 1.00 0.02 H HETATM 2476 H118 ALA A 96 16.663 35.967 20.067 1.00 0.02 H HETATM 2477 CD2 ALA A 96 16.931 39.086 21.542 1.00 -0.06 C HETATM 2478 H119 ALA A 96 17.315 39.434 22.512 1.00 0.02 H HETATM 2479 H120 ALA A 96 15.878 39.386 21.436 1.00 0.02 H HETATM 2480 H121 ALA A 96 17.523 39.535 20.731 1.00 0.02 H HETATM 2481 H115 ALA A 96 18.102 37.294 21.529 1.00 0.03 H HETATM 2482 H113 ALA A 96 15.444 37.519 22.926 1.00 0.03 H HETATM 2483 H114 ALA A 96 15.999 35.901 22.376 1.00 0.03 H HETATM 2484 H112 ALA A 96 17.561 37.812 24.166 1.00 0.07 H HETATM 2485 H111 ALA A 96 18.313 35.010 23.509 1.00 0.19 H HETATM 2486 CB ALA A 96 21.683 35.491 24.405 1.00 -0.01 C HETATM 2487 CG ALA A 96 20.952 35.392 25.743 1.00 -0.02 C HETATM 2488 CD ALA A 96 21.865 34.888 26.845 1.00 0.06 C HETATM 2489 NE ALA A 96 22.354 33.541 26.556 1.00 -0.27 N HETATM 2490 CZ ALA A 96 21.701 32.421 26.863 1.00 0.29 C HETATM 2491 NH1 ALA A 96 20.522 32.478 27.476 1.00 -0.28 N HETATM 2492 H107 ALA A 96 20.021 31.609 27.711 1.00 0.26 H HETATM 2493 H108 ALA A 96 20.110 33.391 27.716 1.00 0.26 H HETATM 2494 NH2 ALA A 96 22.227 31.241 26.554 1.00 -0.28 N HETATM 2495 H109 ALA A 96 23.140 31.192 26.079 1.00 0.26 H HETATM 2496 H110 ALA A 96 21.722 30.375 26.789 1.00 0.26 H HETATM 2497 H106 ALA A 96 23.265 33.452 26.083 1.00 0.26 H HETATM 2498 H104 ALA A 96 21.307 34.871 27.793 1.00 0.07 H HETATM 2499 H105 ALA A 96 22.724 35.569 26.938 1.00 0.07 H HETATM 2500 H102 ALA A 96 20.105 34.698 25.636 1.00 0.03 H HETATM 2501 H103 ALA A 96 20.577 36.389 26.019 1.00 0.03 H HETATM 2502 H100 ALA A 96 22.323 36.386 24.428 1.00 0.03 H HETATM 2503 H101 ALA A 96 22.310 34.595 24.289 1.00 0.03 H HETATM 2504 H99 ALA A 96 20.349 34.594 22.975 1.00 0.08 H HETATM 2505 H98 ALA A 96 22.353 36.544 22.138 1.00 0.19 H HETATM 2506 CB ALA A 96 20.990 37.415 18.865 1.00 0.09 C HETATM 2507 OG1 ALA A 96 21.813 38.102 17.911 1.00 -0.39 O HETATM 2508 H94 ALA A 96 22.201 37.471 17.316 1.00 0.21 H HETATM 2509 CG2 ALA A 96 20.367 38.426 19.807 1.00 -0.03 C HETATM 2510 H95 ALA A 96 19.750 39.132 19.232 1.00 0.03 H HETATM 2511 H96 ALA A 96 21.162 38.977 20.331 1.00 0.03 H HETATM 2512 H97 ALA A 96 19.737 37.903 20.542 1.00 0.03 H HETATM 2513 H93 ALA A 96 20.195 36.867 18.338 1.00 0.06 H HETATM 2514 H92 ALA A 96 22.702 36.974 20.094 1.00 0.08 H HETATM 2515 H91 ALA A 96 21.853 34.551 18.646 1.00 0.19 H HETATM 2516 CB ALA A 96 24.958 33.493 18.089 1.00 0.00 C HETATM 2517 CG ALA A 96 25.334 32.217 17.396 1.00 0.04 C HETATM 2518 CD ALA A 96 26.646 31.661 17.905 1.00 0.17 C HETATM 2519 OE1 ALA A 96 27.707 32.263 17.718 1.00 -0.40 O HETATM 2520 NE2 ALA A 96 26.583 30.511 18.559 1.00 -0.30 N HETATM 2521 H89 ALA A 96 27.418 30.094 18.919 1.00 0.18 H HETATM 2522 H90 ALA A 96 25.701 30.059 18.693 1.00 0.18 H HETATM 2523 H87 ALA A 96 25.426 32.412 16.317 1.00 0.05 H HETATM 2524 H88 ALA A 96 24.542 31.473 17.568 1.00 0.05 H HETATM 2525 H85 ALA A 96 24.494 33.236 19.053 1.00 0.03 H HETATM 2526 H86 ALA A 96 25.877 34.071 18.267 1.00 0.03 H HETATM 2527 H84 ALA A 96 23.104 33.779 17.032 1.00 0.08 H HETATM 2528 H83 ALA A 96 25.431 35.467 16.201 1.00 0.19 H HETATM 2529 CB ALA A 96 24.316 36.828 13.617 1.00 -0.02 C HETATM 2530 H80 ALA A 96 24.436 37.364 14.570 1.00 0.03 H HETATM 2531 H81 ALA A 96 23.249 36.785 13.352 1.00 0.03 H HETATM 2532 H82 ALA A 96 24.869 37.357 12.827 1.00 0.03 H HETATM 2533 H79 ALA A 96 25.932 35.478 14.002 1.00 0.08 H HETATM 2534 H78 ALA A 96 23.803 34.588 12.111 1.00 0.19 H HETATM 2535 CB ALA A 96 25.191 31.949 10.962 1.00 -0.00 C HETATM 2536 CG ALA A 96 24.351 31.199 9.945 1.00 0.00 C HETATM 2537 CD ALA A 96 24.066 29.750 10.371 1.00 0.04 C HETATM 2538 OE1 ALA A 96 24.950 29.117 10.989 1.00 -0.57 O HETATM 2539 OE2 ALA A 96 22.956 29.239 10.085 1.00 -0.57 O HETATM 2540 H76 ALA A 96 24.888 31.185 8.985 1.00 0.04 H HETATM 2541 H77 ALA A 96 23.393 31.725 9.822 1.00 0.04 H HETATM 2542 H74 ALA A 96 24.657 31.928 11.924 1.00 0.03 H HETATM 2543 H75 ALA A 96 26.151 31.422 11.064 1.00 0.03 H HETATM 2544 H73 ALA A 96 24.607 33.847 10.130 1.00 0.08 H HETATM 2545 H72 ALA A 96 27.534 33.268 10.036 1.00 0.19 H HETATM 2546 CB ALA A 96 28.425 35.311 7.576 1.00 -0.01 C HETATM 2547 CG ALA A 96 27.967 35.920 6.282 1.00 -0.03 C HETATM 2548 CD ALA A 96 27.866 34.791 5.318 1.00 0.04 C HETATM 2549 H70 ALA A 96 27.071 34.972 4.579 1.00 0.05 H HETATM 2550 H71 ALA A 96 28.821 34.629 4.797 1.00 0.05 H HETATM 2551 H68 ALA A 96 28.698 36.662 5.928 1.00 0.03 H HETATM 2552 H69 ALA A 96 26.987 36.403 6.411 1.00 0.03 H HETATM 2553 H66 ALA A 96 29.522 35.228 7.599 1.00 0.03 H HETATM 2554 H67 ALA A 96 28.084 35.914 8.431 1.00 0.03 H HETATM 2555 H65 ALA A 96 28.476 33.183 8.018 1.00 0.08 H HETATM 2556 CB ALA A 96 25.407 32.152 4.022 1.00 -0.00 C HETATM 2557 CG1 ALA A 96 25.196 31.965 2.517 1.00 -0.05 C HETATM 2558 CD1 ALA A 96 23.744 31.866 2.144 1.00 -0.06 C HETATM 2559 H62 ALA A 96 23.653 31.733 1.056 1.00 0.02 H HETATM 2560 H63 ALA A 96 23.224 32.787 2.445 1.00 0.02 H HETATM 2561 H64 ALA A 96 23.291 31.005 2.658 1.00 0.02 H HETATM 2562 H57 ALA A 96 25.704 31.042 2.202 1.00 0.03 H HETATM 2563 H58 ALA A 96 25.637 32.824 1.990 1.00 0.03 H HETATM 2564 CG2 ALA A 96 24.672 33.405 4.553 1.00 -0.06 C HETATM 2565 H59 ALA A 96 24.849 33.503 5.634 1.00 0.02 H HETATM 2566 H60 ALA A 96 23.593 33.304 4.365 1.00 0.02 H HETATM 2567 H61 ALA A 96 25.052 34.299 4.037 1.00 0.02 H HETATM 2568 H56 ALA A 96 24.992 31.273 4.538 1.00 0.03 H HETATM 2569 H55 ALA A 96 27.348 33.063 3.764 1.00 0.08 H HETATM 2570 H54 ALA A 96 27.116 30.124 4.111 1.00 0.19 H HETATM 2571 CB ALA A 96 30.752 29.588 4.077 1.00 0.02 C HETATM 2572 CG ALA A 96 31.259 28.196 4.329 1.00 -0.05 C HETATM 2573 CD1 ALA A 96 30.822 27.468 5.426 1.00 -0.07 C HETATM 2574 CE1 ALA A 96 31.292 26.195 5.671 1.00 -0.04 C HETATM 2575 CZ ALA A 96 32.219 25.639 4.813 1.00 0.08 C HETATM 2576 CE2 ALA A 96 32.669 26.347 3.714 1.00 -0.04 C HETATM 2577 CD2 ALA A 96 32.188 27.614 3.480 1.00 -0.07 C HETATM 2578 H50 ALA A 96 32.541 28.167 2.617 1.00 0.05 H HETATM 2579 H52 ALA A 96 33.396 25.906 3.041 1.00 0.05 H HETATM 2580 OH ALA A 96 32.698 24.368 5.047 1.00 -0.34 O HETATM 2581 H53 ALA A 96 32.295 24.019 5.833 1.00 0.25 H HETATM 2582 H51 ALA A 96 30.937 25.636 6.529 1.00 0.05 H HETATM 2583 H49 ALA A 96 30.098 27.908 6.103 1.00 0.05 H HETATM 2584 H47 ALA A 96 30.595 30.082 5.047 1.00 0.05 H HETATM 2585 H48 ALA A 96 31.514 30.137 3.505 1.00 0.05 H HETATM 2586 H46 ALA A 96 28.771 28.867 3.716 1.00 0.08 H HETATM 2587 H45 ALA A 96 30.560 29.546 1.492 1.00 0.19 H HETATM 2588 CB ALA A 96 28.240 29.950 -0.941 1.00 -0.00 C HETATM 2589 CG1 ALA A 96 26.750 29.630 -1.026 1.00 -0.05 C HETATM 2590 CD1 ALA A 96 25.935 30.738 -1.572 1.00 -0.06 C HETATM 2591 H42 ALA A 96 24.878 30.435 -1.603 1.00 0.02 H HETATM 2592 H43 ALA A 96 26.277 30.978 -2.589 1.00 0.02 H HETATM 2593 H44 ALA A 96 26.044 31.624 -0.930 1.00 0.02 H HETATM 2594 H37 ALA A 96 26.386 29.397 -0.014 1.00 0.03 H HETATM 2595 H38 ALA A 96 26.620 28.751 -1.674 1.00 0.03 H HETATM 2596 CG2 ALA A 96 28.790 30.261 -2.314 1.00 -0.06 C HETATM 2597 H39 ALA A 96 29.863 30.489 -2.236 1.00 0.02 H HETATM 2598 H40 ALA A 96 28.260 31.129 -2.733 1.00 0.02 H HETATM 2599 H41 ALA A 96 28.647 29.391 -2.972 1.00 0.02 H HETATM 2600 H36 ALA A 96 28.380 30.832 -0.298 1.00 0.03 H HETATM 2601 H35 ALA A 96 30.060 28.870 -0.491 1.00 0.08 H HETATM 2602 H34 ALA A 96 27.711 27.069 -0.577 1.00 0.19 H HETATM 2603 CB ALA A 96 29.354 24.408 -1.782 1.00 -0.00 C HETATM 2604 CG ALA A 96 28.632 23.095 -2.022 1.00 0.00 C HETATM 2605 CD ALA A 96 29.420 21.885 -1.556 1.00 0.04 C HETATM 2606 OE1 ALA A 96 30.506 22.060 -0.952 1.00 -0.57 O HETATM 2607 OE2 ALA A 96 28.950 20.753 -1.798 1.00 -0.57 O HETATM 2608 H32 ALA A 96 28.441 22.993 -3.100 1.00 0.04 H HETATM 2609 H33 ALA A 96 27.675 23.118 -1.480 1.00 0.04 H HETATM 2610 H30 ALA A 96 29.424 24.573 -0.697 1.00 0.03 H HETATM 2611 H31 ALA A 96 30.365 24.332 -2.208 1.00 0.03 H HETATM 2612 H29 ALA A 96 27.592 25.573 -2.128 1.00 0.08 H HETATM 2613 H28 ALA A 96 29.583 25.233 -4.296 1.00 0.19 H HETATM 2614 CB ALA A 96 28.321 27.330 -6.618 1.00 -0.00 C HETATM 2615 CG1 ALA A 96 28.734 27.303 -8.089 1.00 -0.05 C HETATM 2616 CD1 ALA A 96 27.682 27.834 -9.019 1.00 -0.06 C HETATM 2617 H25 ALA A 96 28.049 27.783 -10.055 1.00 0.02 H HETATM 2618 H26 ALA A 96 27.458 28.879 -8.760 1.00 0.02 H HETATM 2619 H27 ALA A 96 26.769 27.229 -8.924 1.00 0.02 H HETATM 2620 H20 ALA A 96 28.953 26.262 -8.370 1.00 0.03 H HETATM 2621 H21 ALA A 96 29.642 27.913 -8.207 1.00 0.03 H HETATM 2622 CG2 ALA A 96 29.448 27.933 -5.796 1.00 -0.06 C HETATM 2623 H22 ALA A 96 29.157 27.955 -4.736 1.00 0.02 H HETATM 2624 H23 ALA A 96 29.647 28.958 -6.143 1.00 0.02 H HETATM 2625 H24 ALA A 96 30.355 27.323 -5.914 1.00 0.02 H HETATM 2626 H19 ALA A 96 27.428 27.963 -6.511 1.00 0.03 H HETATM 2627 H18 ALA A 96 28.845 25.259 -6.313 1.00 0.08 H HETATM 2628 H17 ALA A 96 25.916 25.644 -6.658 1.00 0.19 H HETATM 2629 CB ALA A 96 25.554 22.506 -8.400 1.00 0.08 C HETATM 2630 OG ALA A 96 25.011 22.309 -7.115 1.00 -0.39 O HETATM 2631 H16 ALA A 96 24.841 21.384 -6.982 1.00 0.21 H HETATM 2632 H14 ALA A 96 26.494 21.943 -8.490 1.00 0.06 H HETATM 2633 H15 ALA A 96 24.840 22.150 -9.157 1.00 0.06 H HETATM 2634 H13 ALA A 96 24.954 24.563 -8.277 1.00 0.08 H HETATM 2635 H12 ALA A 96 26.903 23.989 -10.459 1.00 0.19 H HETATM 2636 CB ALA A 96 26.387 26.511 -12.213 1.00 0.04 C HETATM 2637 CG ALA A 96 27.866 26.218 -12.028 1.00 0.04 C HETATM 2638 OD1 ALA A 96 28.208 25.119 -11.532 1.00 -0.57 O HETATM 2639 OD2 ALA A 96 28.690 27.091 -12.377 1.00 -0.57 O HETATM 2640 H10 ALA A 96 26.055 27.174 -11.401 1.00 0.05 H HETATM 2641 H11 ALA A 96 26.247 27.017 -13.180 1.00 0.05 H HETATM 2642 H9 ALA A 96 26.143 24.414 -12.572 1.00 0.08 H HETATM 2643 H8 ALA A 96 23.499 25.612 -12.736 1.00 0.19 H HETATM 2644 CB ALA A 96 22.745 23.938 -15.538 1.00 -0.00 C HETATM 2645 H5 ALA A 96 22.595 23.411 -14.584 1.00 0.03 H HETATM 2646 H6 ALA A 96 23.456 23.374 -16.160 1.00 0.03 H HETATM 2647 H7 ALA A 96 21.783 24.023 -16.065 1.00 0.03 H HETATM 2648 H4 ALA A 96 22.551 25.889 -14.686 1.00 0.11 H HETATM 2649 H1 ALA A 96 22.646 26.086 -17.040 1.00 0.20 H HETATM 2650 H2 ALA A 96 24.214 25.585 -17.068 1.00 0.20 H HETATM 2651 H3 ALA A 96 23.814 26.996 -16.320 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1152 1153 1157 1158 1159 CONECT 1157 1152 CONECT 1158 1152 CONECT 1159 1152 CONECT 2410 2411 2649 2650 2651 CONECT 2411 2410 2412 2644 2648 CONECT 2412 2411 2413 2414 CONECT 2413 2412 CONECT 2414 2412 2415 2643 CONECT 2415 2414 2416 2636 2642 CONECT 2416 2415 2417 2418 CONECT 2417 2416 CONECT 2418 2416 2419 2635 CONECT 2419 2418 2420 2629 2634 CONECT 2420 2419 2421 2422 CONECT 2421 2420 CONECT 2422 2420 2423 2628 CONECT 2423 2422 2424 2614 2627 CONECT 2424 2423 2425 2426 CONECT 2425 2424 CONECT 2426 2424 2427 2613 CONECT 2427 2426 2428 2603 2612 CONECT 2428 2427 2429 2430 CONECT 2429 2428 CONECT 2430 2428 2431 2602 CONECT 2431 2430 2432 2588 2601 CONECT 2432 2431 2433 2434 CONECT 2433 2432 CONECT 2434 2432 2435 2587 CONECT 2435 2434 2436 2571 2586 CONECT 2436 2435 2437 2438 CONECT 2437 2436 CONECT 2438 2436 2439 2570 CONECT 2439 2438 2440 2556 2569 CONECT 2440 2439 2441 2442 CONECT 2441 2440 CONECT 2442 2440 2443 2548 CONECT 2443 2442 2444 2546 2555 CONECT 2444 2443 2445 2446 CONECT 2445 2444 CONECT 2446 2444 2447 2545 CONECT 2447 2446 2448 2535 2544 CONECT 2448 2447 2449 2450 CONECT 2449 2448 CONECT 2450 2448 2451 2534 CONECT 2451 2450 2452 2529 2533 CONECT 2452 2451 2453 2454 CONECT 2453 2452 CONECT 2454 2452 2455 2528 CONECT 2455 2454 2456 2516 2527 CONECT 2456 2455 2457 2458 CONECT 2457 2456 CONECT 2458 2456 2459 2515 CONECT 2459 2458 2460 2506 2514 CONECT 2460 2459 2461 2462 CONECT 2461 2460 CONECT 2462 2460 2463 2505 CONECT 2463 2462 2464 2486 2504 CONECT 2464 2463 2465 2466 CONECT 2465 2464 CONECT 2466 2464 2467 2485 CONECT 2467 2466 2468 2471 2484 CONECT 2468 2467 2469 2470 CONECT 2469 2468 CONECT 2470 2468 CONECT 2471 2467 2472 2482 2483 CONECT 2472 2471 2473 2477 2481 CONECT 2473 2472 2474 2475 2476 CONECT 2474 2473 CONECT 2475 2473 CONECT 2476 2473 CONECT 2477 2472 2478 2479 2480 CONECT 2478 2477 CONECT 2479 2477 CONECT 2480 2477 CONECT 2481 2472 CONECT 2482 2471 CONECT 2483 2471 CONECT 2484 2467 CONECT 2485 2466 CONECT 2486 2463 2487 2502 2503 CONECT 2487 2486 2488 2500 2501 CONECT 2488 2487 2489 2498 2499 CONECT 2489 2488 2490 2497 CONECT 2490 2489 2491 2494 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 CONECT 2494 2490 2495 2496 CONECT 2495 2494 CONECT 2496 2494 CONECT 2497 2489 CONECT 2498 2488 CONECT 2499 2488 CONECT 2500 2487 CONECT 2501 2487 CONECT 2502 2486 CONECT 2503 2486 CONECT 2504 2463 CONECT 2505 2462 CONECT 2506 2459 2507 2509 2513 CONECT 2507 2506 2508 CONECT 2508 2507 CONECT 2509 2506 2510 2511 2512 CONECT 2510 2509 CONECT 2511 2509 CONECT 2512 2509 CONECT 2513 2506 CONECT 2514 2459 CONECT 2515 2458 CONECT 2516 2455 2517 2525 2526 CONECT 2517 2516 2518 2523 2524 CONECT 2518 2517 2519 2520 CONECT 2519 2518 CONECT 2520 2518 2521 2522 CONECT 2521 2520 CONECT 2522 2520 CONECT 2523 2517 CONECT 2524 2517 CONECT 2525 2516 CONECT 2526 2516 CONECT 2527 2455 CONECT 2528 2454 CONECT 2529 2451 2530 2531 2532 CONECT 2530 2529 CONECT 2531 2529 CONECT 2532 2529 CONECT 2533 2451 CONECT 2534 2450 CONECT 2535 2447 2536 2542 2543 CONECT 2536 2535 2537 2540 2541 CONECT 2537 2536 2538 2539 CONECT 2538 2537 CONECT 2539 2537 CONECT 2540 2536 CONECT 2541 2536 CONECT 2542 2535 CONECT 2543 2535 CONECT 2544 2447 CONECT 2545 2446 CONECT 2546 2443 2547 2553 2554 CONECT 2547 2546 2548 2551 2552 CONECT 2548 2442 2547 2549 2550 CONECT 2549 2548 CONECT 2550 2548 CONECT 2551 2547 CONECT 2552 2547 CONECT 2553 2546 CONECT 2554 2546 CONECT 2555 2443 CONECT 2556 2439 2557 2564 2568 CONECT 2557 2556 2558 2562 2563 CONECT 2558 2557 2559 2560 2561 CONECT 2559 2558 CONECT 2560 2558 CONECT 2561 2558 CONECT 2562 2557 CONECT 2563 2557 CONECT 2564 2556 2565 2566 2567 CONECT 2565 2564 CONECT 2566 2564 CONECT 2567 2564 CONECT 2568 2556 CONECT 2569 2439 CONECT 2570 2438 CONECT 2571 2435 2572 2584 2585 CONECT 2572 2571 2573 2577 CONECT 2573 2572 2574 2583 CONECT 2574 2573 2575 2582 CONECT 2575 2574 2576 2580 CONECT 2576 2575 2577 2579 CONECT 2577 2572 2576 2578 CONECT 2578 2577 CONECT 2579 2576 CONECT 2580 2575 2581 CONECT 2581 2580 CONECT 2582 2574 CONECT 2583 2573 CONECT 2584 2571 CONECT 2585 2571 CONECT 2586 2435 CONECT 2587 2434 CONECT 2588 2431 2589 2596 2600 CONECT 2589 2588 2590 2594 2595 CONECT 2590 2589 2591 2592 2593 CONECT 2591 2590 CONECT 2592 2590 CONECT 2593 2590 CONECT 2594 2589 CONECT 2595 2589 CONECT 2596 2588 2597 2598 2599 CONECT 2597 2596 CONECT 2598 2596 CONECT 2599 2596 CONECT 2600 2588 CONECT 2601 2431 CONECT 2602 2430 CONECT 2603 2427 2604 2610 2611 CONECT 2604 2603 2605 2608 2609 CONECT 2605 2604 2606 2607 CONECT 2606 2605 CONECT 2607 2605 CONECT 2608 2604 CONECT 2609 2604 CONECT 2610 2603 CONECT 2611 2603 CONECT 2612 2427 CONECT 2613 2426 CONECT 2614 2423 2615 2622 2626 CONECT 2615 2614 2616 2620 2621 CONECT 2616 2615 2617 2618 2619 CONECT 2617 2616 CONECT 2618 2616 CONECT 2619 2616 CONECT 2620 2615 CONECT 2621 2615 CONECT 2622 2614 2623 2624 2625 CONECT 2623 2622 CONECT 2624 2622 CONECT 2625 2622 CONECT 2626 2614 CONECT 2627 2423 CONECT 2628 2422 CONECT 2629 2419 2630 2632 2633 CONECT 2630 2629 2631 CONECT 2631 2630 CONECT 2632 2629 CONECT 2633 2629 CONECT 2634 2419 CONECT 2635 2418 CONECT 2636 2415 2637 2640 2641 CONECT 2637 2636 2638 2639 CONECT 2638 2637 CONECT 2639 2637 CONECT 2640 2636 CONECT 2641 2636 CONECT 2642 2415 CONECT 2643 2414 CONECT 2644 2411 2645 2646 2647 CONECT 2645 2644 CONECT 2646 2644 CONECT 2647 2644 CONECT 2648 2411 CONECT 2649 2410 CONECT 2650 2410 CONECT 2651 2410 MASTER 0 0 0 0 0 0 0 0 2649 2 250 20 END
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3gv6
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4hfz
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5j19
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15-mer
5jlz
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5ksu
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PDBbind
15-mer
5ksv
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PDBbind
15-mer
5kzp
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PDBbind
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5lax
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PDBbind
15-mer
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15-mer
5o45
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5svz
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PDBbind
15-mer
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PDBbind
15-mer
5twg
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5u66
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PDBbind
15-mer
5ul6
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15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
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PDBbind
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5vb9
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15-mer
5vzy
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PDBbind
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5wir
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15-mer
5zuj
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PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
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5vtb
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Entry Information
PDB ID
5izu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3 and multiple ankyrin repeat domains protein 3, Shank3 N-PDZ
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.49(Å)
Affinity (Kd/Ki/IC50)
Kd=0.054uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Proc.Natl.Acad.Sci.USA Vol. 113: pp. E3081-E3090
Ligand Properties
Formula
C
7
6
H
1
2
5
N
1
9
O
2
6
Molecular Weight
1720.920
Exact Mass
1719.900
No. of atoms
246
No. of bonds
247
Polar Surface Area
745.24
LOGP Value
1.67 (
Computed with XLOGP3
)
-1.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 68
No. of Nitrogen and Oxygen Atoms: 45
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCC[NH+]=C(N)N)[C@H](O)C)CCC(=O)N)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)O)CO)CCC(=O)O)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C76H123N19O26/c1-12-36(6)57(92-69(114)51(34-96)90-67(112)49(33-56(104)105)87-61(106)39(9)77)71(116)86-47(25-28-55(102)103)65(110)91-58(37(7)13-2)72(117)88-48(32-42-19-21-43(98)22-20-42)68(113)93-59(38(8)14-3)74(119)95-30-16-18-52(95)70(115)84-46(24-27-54(100)101)63(108)82-40(10)62(107)83-45(23-26-53(78)99)66(111)94-60(41(11)97)73(118)85-44(17-15-29-81-76(79)80)64(109)89-50(75(120)121)31-35(4)5/h19-22,35-41,44-52,57-60,96-98H,12-18,23-34,77H2,1-11H3,(H2,78,99)(H,82,108)(H,83,107)(H,84,115)(H,85,118)(H,86,116)(H,87,106)(H,88,117)(H,89,109)(H,90,112)(H,91,110)(H,92,114)(H,93,113)(H,94,111)(H,100,101)(H,102,103)(H,104,105)(H,120,121)(H4,79,80,81)/p+2/t36-,37-,38-,39-,40-,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q4ACU6
Q6PFD5
Entrez Gene ID
NCBI Entrez Gene ID:
58234
242667
ASD
Information of known allosteric effects of PDB entries
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