Browse entries in the PDBbind-CN Database
HEADER 5FB0_COMPLEX COMPND 5FB0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 SER ASP PRO CYS PRO GLU ASN SER ASN ILE CYS GLU VAL SEQRES 2 A 60 CYS ASN LYS TRP GLY ARG LEU PHE CYS CYS ASP THR CYS SEQRES 3 A 60 PRO ARG SER PHE HIS GLU HIS CYS HIS ILE PRO SER VAL SEQRES 4 A 60 GLU ALA ASN LYS ASN PRO TRP SER CYS ILE PHE CYS ARG SEQRES 5 A 60 ILE LYS THR ILE GLN GLU ARG SER SEQRES 1 A 42 GLY HIS GLN GLU SER GLU VAL LEU MET ARG GLN MET GLN SEQRES 2 A 42 PRO GLU GLU GLN LEU LYS CYS GLU PHE LEU LEU LEU LYS SEQRES 3 A 42 VAL TYR CYS ASP SER LYS SER SER PHE PHE ALA SER GLU SEQRES 4 A 42 PRO TYR TYR SEQRES 1 A 70 GLY PRO GLN LYS PRO MET TRP LEU ASN LYS VAL LYS THR SEQRES 2 A 70 SER LEU ASN GLU GLN MET TYR THR ARG VAL GLU GLY PHE SEQRES 3 A 70 VAL GLN ASP MET ARG LEU ILE PHE HIS ASN HIS LYS GLU SEQRES 4 A 70 PHE TYR ARG GLU ASP LYS PHE THR ARG LEU GLY ILE GLN SEQRES 5 A 70 VAL GLN ASP ILE PHE GLU LYS ASN PHE ARG ASN ILE PHE SEQRES 6 A 70 ALA ILE GLN GLU THR HET ZN A 1 1 HET ZN A 2 1 HET ALA A 182 174 ATOM 1 N SER A 695 25.366 -15.438 -17.689 1.00 65.50 N ATOM 2 CA SER A 695 24.232 -14.541 -17.890 1.00 68.91 C ATOM 3 C SER A 695 23.727 -13.994 -16.560 1.00 65.46 C ATOM 4 O SER A 695 23.927 -14.611 -15.516 1.00 69.98 O ATOM 5 CB SER A 695 23.101 -15.260 -18.625 1.00 71.58 C ATOM 6 OG SER A 695 22.116 -14.341 -19.063 1.00 75.59 O ATOM 7 HG SER A 695 21.396 -14.830 -19.535 1.00 0.00 H ATOM 8 HN3 SER A 695 25.074 -16.235 -17.089 1.00 0.00 H ATOM 9 HN2 SER A 695 26.139 -14.919 -17.226 1.00 0.00 H ATOM 10 HN1 SER A 695 25.690 -15.796 -18.610 1.00 0.00 H ATOM 11 N ASP A 696 23.072 -12.833 -16.610 1.00 64.46 N ATOM 12 CA ASP A 696 22.559 -12.154 -15.424 1.00 62.47 C ATOM 13 C ASP A 696 21.556 -13.046 -14.702 1.00 59.64 C ATOM 14 O ASP A 696 20.461 -13.294 -15.221 1.00 65.10 O ATOM 15 CB ASP A 696 21.915 -10.822 -15.813 1.00 62.69 C ATOM 16 CG ASP A 696 21.632 -9.930 -14.617 1.00 62.24 C ATOM 17 OD1 ASP A 696 21.610 -10.435 -13.475 1.00 60.79 O ATOM 18 OD2 ASP A 696 21.432 -8.714 -14.824 1.00 63.31 O ATOM 19 H ASP A 696 22.919 -12.390 -17.539 1.00 0.00 H ATOM 20 N PRO A 697 21.897 -13.552 -13.512 1.00 49.39 N ATOM 21 CA PRO A 697 20.926 -14.369 -12.764 1.00 52.19 C ATOM 22 C PRO A 697 19.628 -13.638 -12.463 1.00 59.61 C ATOM 23 O PRO A 697 18.560 -14.263 -12.436 1.00 63.90 O ATOM 24 CB PRO A 697 21.689 -14.736 -11.481 1.00 46.12 C ATOM 25 CG PRO A 697 23.138 -14.497 -11.798 1.00 46.10 C ATOM 26 CD PRO A 697 23.149 -13.354 -12.764 1.00 48.00 C ATOM 27 N CYS A 698 19.692 -12.333 -12.203 1.00 61.86 N ATOM 28 CA CYS A 698 18.534 -11.551 -11.771 1.00 61.40 C ATOM 29 C CYS A 698 18.413 -10.311 -12.642 1.00 52.88 C ATOM 30 O CYS A 698 18.838 -9.217 -12.249 1.00 48.30 O ATOM 31 CB CYS A 698 18.660 -11.177 -10.296 1.00 60.56 C ATOM 32 SG CYS A 698 19.254 -12.546 -9.306 1.00 58.73 S ATOM 33 H CYS A 698 20.606 -11.849 -12.312 1.00 0.00 H ATOM 34 N PRO A 699 17.823 -10.440 -13.830 1.00 53.41 N ATOM 35 CA PRO A 699 17.827 -9.308 -14.768 1.00 50.28 C ATOM 36 C PRO A 699 16.903 -8.176 -14.353 1.00 45.32 C ATOM 37 O PRO A 699 17.136 -7.033 -14.765 1.00 49.69 O ATOM 38 CB PRO A 699 17.368 -9.941 -16.092 1.00 50.84 C ATOM 39 CG PRO A 699 17.604 -11.421 -15.924 1.00 53.04 C ATOM 40 CD PRO A 699 17.367 -11.688 -14.466 1.00 52.60 C ATOM 41 N GLU A 700 15.880 -8.448 -13.543 1.00 36.61 N ATOM 42 CA GLU A 700 14.974 -7.422 -13.046 1.00 35.81 C ATOM 43 C GLU A 700 15.389 -6.868 -11.683 1.00 36.18 C ATOM 44 O GLU A 700 14.535 -6.367 -10.941 1.00 30.59 O ATOM 45 CB GLU A 700 13.543 -7.963 -12.966 1.00 37.17 C ATOM 46 CG GLU A 700 12.840 -8.137 -14.308 1.00 44.64 C ATOM 47 CD GLU A 700 13.449 -9.239 -15.156 1.00 52.37 C ATOM 48 OE1 GLU A 700 13.588 -10.372 -14.645 1.00 60.19 O ATOM 49 OE2 GLU A 700 13.789 -8.976 -16.329 1.00 49.78 O ATOM 50 H GLU A 700 15.722 -9.434 -13.254 1.00 0.00 H ATOM 51 N ASN A 701 16.669 -6.965 -11.327 1.00 33.64 N ATOM 52 CA ASN A 701 17.156 -6.491 -10.040 1.00 27.91 C ATOM 53 C ASN A 701 18.362 -5.582 -10.240 1.00 34.28 C ATOM 54 O ASN A 701 19.049 -5.636 -11.264 1.00 30.36 O ATOM 55 CB ASN A 701 17.510 -7.661 -9.113 1.00 24.64 C ATOM 56 CG ASN A 701 16.284 -8.280 -8.463 1.00 33.75 C ATOM 57 OD1 ASN A 701 15.669 -9.197 -9.009 1.00 33.61 O ATOM 58 ND2 ASN A 701 15.928 -7.783 -7.280 1.00 38.38 N ATOM 59 HD22 ASN A 701 16.476 -7.008 -6.855 1.00 0.00 H ATOM 60 HD21 ASN A 701 15.102 -8.170 -6.781 1.00 0.00 H ATOM 61 H ASN A 701 17.344 -7.394 -11.992 1.00 0.00 H ATOM 62 N SER A 702 18.613 -4.751 -9.231 1.00 35.23 N ATOM 63 CA SER A 702 19.588 -3.675 -9.349 1.00 35.36 C ATOM 64 C SER A 702 21.000 -4.212 -9.557 1.00 35.20 C ATOM 65 O SER A 702 21.357 -5.298 -9.091 1.00 35.87 O ATOM 66 CB SER A 702 19.555 -2.794 -8.102 1.00 31.96 C ATOM 67 OG SER A 702 20.432 -1.692 -8.235 1.00 31.10 O ATOM 68 HG SER A 702 20.391 -1.139 -7.415 1.00 0.00 H ATOM 69 H SER A 702 18.100 -4.873 -8.335 1.00 0.00 H ATOM 70 N ASN A 703 21.809 -3.425 -10.261 1.00 32.60 N ATOM 71 CA ASN A 703 23.228 -3.695 -10.439 1.00 33.37 C ATOM 72 C ASN A 703 24.105 -3.048 -9.375 1.00 37.90 C ATOM 73 O ASN A 703 25.326 -3.230 -9.412 1.00 44.59 O ATOM 74 CB ASN A 703 23.681 -3.240 -11.828 1.00 33.31 C ATOM 75 CG ASN A 703 23.094 -4.093 -12.938 1.00 31.52 C ATOM 76 OD1 ASN A 703 22.704 -5.239 -12.711 1.00 27.27 O ATOM 77 ND2 ASN A 703 23.025 -3.537 -14.142 1.00 28.72 N ATOM 78 HD22 ASN A 703 23.367 -2.566 -14.287 1.00 0.00 H ATOM 79 HD21 ASN A 703 22.629 -4.073 -14.940 1.00 0.00 H ATOM 80 H ASN A 703 21.408 -2.575 -10.706 1.00 0.00 H ATOM 81 N ILE A 704 23.526 -2.289 -8.439 1.00 38.59 N ATOM 82 CA ILE A 704 24.277 -1.677 -7.349 1.00 38.20 C ATOM 83 C ILE A 704 23.476 -1.817 -6.063 1.00 35.18 C ATOM 84 O ILE A 704 22.253 -1.976 -6.077 1.00 36.82 O ATOM 85 CB ILE A 704 24.595 -0.187 -7.598 1.00 47.16 C ATOM 86 CG1 ILE A 704 23.321 0.578 -7.941 1.00 51.70 C ATOM 87 CG2 ILE A 704 25.630 -0.032 -8.701 1.00 48.79 C ATOM 88 CD1 ILE A 704 23.560 2.041 -8.189 1.00 57.09 C ATOM 89 H ILE A 704 22.500 -2.129 -8.490 1.00 0.00 H ATOM 90 N CYS A 705 24.186 -1.755 -4.939 1.00 33.18 N ATOM 91 CA CYS A 705 23.553 -1.898 -3.636 1.00 27.36 C ATOM 92 C CYS A 705 22.638 -0.713 -3.340 1.00 29.31 C ATOM 93 O CYS A 705 22.904 0.426 -3.735 1.00 28.03 O ATOM 94 CB CYS A 705 24.619 -2.015 -2.548 1.00 30.08 C ATOM 95 SG CYS A 705 24.003 -2.311 -0.870 1.00 33.16 S ATOM 96 H CYS A 705 25.213 -1.601 -4.993 1.00 0.00 H ATOM 97 N GLU A 706 21.579 -0.983 -2.574 1.00 27.00 N ATOM 98 CA GLU A 706 20.661 0.070 -2.154 1.00 30.14 C ATOM 99 C GLU A 706 21.238 0.959 -1.065 1.00 36.91 C ATOM 100 O GLU A 706 20.761 2.084 -0.887 1.00 45.25 O ATOM 101 CB GLU A 706 19.347 -0.543 -1.662 1.00 28.81 C ATOM 102 CG GLU A 706 18.320 -0.783 -2.752 1.00 43.86 C ATOM 103 CD GLU A 706 17.638 0.493 -3.209 1.00 45.87 C ATOM 104 OE1 GLU A 706 16.963 1.133 -2.376 1.00 42.85 O ATOM 105 OE2 GLU A 706 17.779 0.858 -4.398 1.00 47.37 O ATOM 106 H GLU A 706 21.405 -1.962 -2.271 1.00 0.00 H ATOM 107 N VAL A 707 22.246 0.488 -0.335 1.00 35.14 N ATOM 108 CA VAL A 707 22.772 1.234 0.801 1.00 39.93 C ATOM 109 C VAL A 707 23.940 2.109 0.362 1.00 40.18 C ATOM 110 O VAL A 707 23.845 3.342 0.383 1.00 47.32 O ATOM 111 CB VAL A 707 23.189 0.283 1.938 1.00 45.03 C ATOM 112 CG1 VAL A 707 23.831 1.065 3.075 1.00 46.31 C ATOM 113 CG2 VAL A 707 21.991 -0.516 2.435 1.00 39.74 C ATOM 114 H VAL A 707 22.667 -0.431 -0.580 1.00 0.00 H ATOM 115 N CYS A 708 25.043 1.481 -0.049 1.00 33.00 N ATOM 116 CA CYS A 708 26.262 2.205 -0.394 1.00 36.22 C ATOM 117 C CYS A 708 26.337 2.635 -1.855 1.00 37.28 C ATOM 118 O CYS A 708 27.262 3.373 -2.213 1.00 41.25 O ATOM 119 CB CYS A 708 27.494 1.355 -0.059 1.00 41.77 C ATOM 120 SG CYS A 708 27.544 -0.254 -0.882 1.00 48.93 S ATOM 121 H CYS A 708 25.034 0.444 -0.126 1.00 0.00 H ATOM 122 N ASN A 709 25.396 2.201 -2.697 1.00 36.72 N ATOM 123 CA ASN A 709 25.378 2.541 -4.125 1.00 43.32 C ATOM 124 C ASN A 709 26.681 2.142 -4.826 1.00 42.27 C ATOM 125 O ASN A 709 27.313 2.939 -5.523 1.00 35.86 O ATOM 126 CB ASN A 709 25.086 4.034 -4.317 1.00 43.15 C ATOM 127 CG ASN A 709 23.647 4.394 -3.997 1.00 45.79 C ATOM 128 OD1 ASN A 709 22.710 3.710 -4.417 1.00 49.41 O ATOM 129 ND2 ASN A 709 23.466 5.445 -3.207 1.00 44.09 N ATOM 130 HD22 ASN A 709 24.285 5.994 -2.876 1.00 0.00 H ATOM 131 HD21 ASN A 709 22.505 5.720 -2.919 1.00 0.00 H ATOM 132 H ASN A 709 24.640 1.593 -2.323 1.00 0.00 H ATOM 133 N LYS A 710 27.057 0.873 -4.673 1.00 46.74 N ATOM 134 CA LYS A 710 28.261 0.337 -5.293 1.00 42.04 C ATOM 135 C LYS A 710 27.968 -1.041 -5.868 1.00 35.27 C ATOM 136 O LYS A 710 26.983 -1.693 -5.515 1.00 30.73 O ATOM 137 CB LYS A 710 29.447 0.244 -4.322 1.00 46.35 C ATOM 138 CG LYS A 710 30.010 1.574 -3.860 1.00 51.78 C ATOM 139 CD LYS A 710 31.217 1.349 -2.961 1.00 57.80 C ATOM 140 CE LYS A 710 31.899 2.655 -2.585 1.00 59.87 C ATOM 141 NZ LYS A 710 33.079 2.423 -1.704 1.00 60.93 N ATOM 142 HZ1 LYS A 710 32.771 1.949 -0.831 1.00 0.00 H ATOM 143 HZ2 LYS A 710 33.768 1.823 -2.200 1.00 0.00 H ATOM 144 HZ3 LYS A 710 33.519 3.335 -1.468 1.00 0.00 H ATOM 145 H LYS A 710 26.470 0.243 -4.090 1.00 0.00 H ATOM 146 N TRP A 711 28.837 -1.466 -6.780 1.00 40.49 N ATOM 147 CA TRP A 711 28.729 -2.760 -7.439 1.00 47.20 C ATOM 148 C TRP A 711 29.281 -3.862 -6.534 1.00 49.51 C ATOM 149 O TRP A 711 29.613 -3.642 -5.366 1.00 59.41 O ATOM 150 CB TRP A 711 29.446 -2.706 -8.785 1.00 52.48 C ATOM 151 CG TRP A 711 28.849 -1.709 -9.749 1.00 49.02 C ATOM 152 CD1 TRP A 711 27.933 -1.963 -10.726 1.00 46.87 C ATOM 153 CD2 TRP A 711 29.115 -0.301 -9.805 1.00 47.79 C ATOM 154 NE1 TRP A 711 27.621 -0.805 -11.398 1.00 42.70 N ATOM 155 CE2 TRP A 711 28.333 0.230 -10.851 1.00 47.69 C ATOM 156 CE3 TRP A 711 29.940 0.559 -9.076 1.00 47.77 C ATOM 157 CZ2 TRP A 711 28.350 1.583 -11.185 1.00 51.73 C ATOM 158 CZ3 TRP A 711 29.957 1.901 -9.410 1.00 52.84 C ATOM 159 CH2 TRP A 711 29.167 2.400 -10.456 1.00 54.23 C ATOM 160 HE1 TRP A 711 26.954 -0.727 -12.192 1.00 0.00 H ATOM 161 H TRP A 711 29.631 -0.845 -7.035 1.00 0.00 H ATOM 162 N GLY A 712 29.387 -5.078 -7.070 1.00 48.57 N ATOM 163 CA GLY A 712 30.035 -6.179 -6.392 1.00 46.22 C ATOM 164 C GLY A 712 29.130 -7.391 -6.339 1.00 39.59 C ATOM 165 O GLY A 712 28.213 -7.543 -7.152 1.00 41.94 O ATOM 166 H GLY A 712 28.987 -5.242 -8.016 1.00 0.00 H ATOM 167 N ARG A 713 29.393 -8.267 -5.372 1.00 34.34 N ATOM 168 CA ARG A 713 28.548 -9.440 -5.163 1.00 37.26 C ATOM 169 C ARG A 713 27.246 -9.019 -4.498 1.00 37.13 C ATOM 170 O ARG A 713 27.223 -8.688 -3.308 1.00 41.42 O ATOM 171 CB ARG A 713 29.270 -10.495 -4.330 1.00 32.33 C ATOM 172 CG ARG A 713 28.412 -11.727 -4.073 1.00 34.15 C ATOM 173 CD ARG A 713 29.163 -12.812 -3.325 1.00 42.27 C ATOM 174 NE ARG A 713 28.312 -13.968 -3.060 1.00 44.14 N ATOM 175 CZ ARG A 713 27.815 -14.265 -1.865 1.00 44.48 C ATOM 176 NH1 ARG A 713 27.036 -15.326 -1.709 1.00 38.16 N ATOM 177 NH2 ARG A 713 28.104 -13.502 -0.822 1.00 56.35 N ATOM 178 HE ARG A 713 28.081 -14.597 -3.855 1.00 0.00 H ATOM 179 HH12 ARG A 713 26.649 -15.554 -0.771 1.00 0.00 H ATOM 180 HH11 ARG A 713 26.811 -15.931 -2.525 1.00 0.00 H ATOM 181 HH22 ARG A 713 27.716 -13.733 0.115 1.00 0.00 H ATOM 182 HH21 ARG A 713 28.719 -12.672 -0.940 1.00 0.00 H ATOM 183 H ARG A 713 30.215 -8.113 -4.754 1.00 0.00 H ATOM 184 N LEU A 714 26.159 -9.032 -5.261 1.00 38.89 N ATOM 185 CA LEU A 714 24.884 -8.493 -4.817 1.00 36.19 C ATOM 186 C LEU A 714 23.880 -9.611 -4.574 1.00 32.95 C ATOM 187 O LEU A 714 23.877 -10.624 -5.276 1.00 33.34 O ATOM 188 CB LEU A 714 24.316 -7.510 -5.846 1.00 31.14 C ATOM 189 CG LEU A 714 24.658 -6.027 -5.700 1.00 32.29 C ATOM 190 CD1 LEU A 714 26.130 -5.798 -5.400 1.00 34.92 C ATOM 191 CD2 LEU A 714 24.258 -5.311 -6.964 1.00 32.91 C ATOM 192 H LEU A 714 26.222 -9.444 -6.214 1.00 0.00 H ATOM 193 N PHE A 715 23.054 -9.423 -3.556 1.00 31.88 N ATOM 194 CA PHE A 715 21.941 -10.300 -3.241 1.00 36.27 C ATOM 195 C PHE A 715 20.665 -9.624 -3.717 1.00 42.09 C ATOM 196 O PHE A 715 20.468 -8.426 -3.490 1.00 49.66 O ATOM 197 CB PHE A 715 21.865 -10.573 -1.736 1.00 39.88 C ATOM 198 CG PHE A 715 22.758 -11.685 -1.276 1.00 50.72 C ATOM 199 CD1 PHE A 715 22.272 -12.976 -1.148 1.00 57.91 C ATOM 200 CD2 PHE A 715 24.083 -11.438 -0.962 1.00 53.44 C ATOM 201 CE1 PHE A 715 23.097 -14.001 -0.720 1.00 61.06 C ATOM 202 CE2 PHE A 715 24.910 -12.455 -0.537 1.00 57.46 C ATOM 203 CZ PHE A 715 24.418 -13.738 -0.416 1.00 60.93 C ATOM 204 H PHE A 715 23.212 -8.597 -2.945 1.00 0.00 H ATOM 205 N CYS A 716 19.801 -10.386 -4.377 1.00 38.69 N ATOM 206 CA CYS A 716 18.659 -9.823 -5.079 1.00 37.10 C ATOM 207 C CYS A 716 17.369 -10.230 -4.388 1.00 39.94 C ATOM 208 O CYS A 716 17.167 -11.409 -4.084 1.00 48.25 O ATOM 209 CB CYS A 716 18.640 -10.282 -6.535 1.00 34.92 C ATOM 210 SG CYS A 716 20.131 -9.829 -7.413 1.00 43.32 S ATOM 211 H CYS A 716 19.945 -11.416 -4.392 1.00 0.00 H ATOM 212 N CYS A 717 16.495 -9.258 -4.166 1.00 39.88 N ATOM 213 CA CYS A 717 15.217 -9.530 -3.538 1.00 42.54 C ATOM 214 C CYS A 717 14.278 -10.181 -4.543 1.00 46.92 C ATOM 215 O CYS A 717 14.413 -10.008 -5.757 1.00 46.52 O ATOM 216 CB CYS A 717 14.606 -8.237 -2.993 1.00 40.18 C ATOM 217 SG CYS A 717 13.007 -8.437 -2.200 1.00 40.46 S ATOM 218 H CYS A 717 16.730 -8.285 -4.447 1.00 0.00 H ATOM 219 N ASP A 718 13.312 -10.934 -4.024 1.00 49.35 N ATOM 220 CA ASP A 718 12.439 -11.762 -4.844 1.00 44.86 C ATOM 221 C ASP A 718 11.022 -11.213 -4.880 1.00 44.60 C ATOM 222 O ASP A 718 10.129 -11.846 -5.453 1.00 52.70 O ATOM 223 CB ASP A 718 12.440 -13.202 -4.321 1.00 45.91 C ATOM 224 CG ASP A 718 13.743 -13.929 -4.612 1.00 48.16 C ATOM 225 OD1 ASP A 718 14.119 -14.046 -5.798 1.00 56.25 O ATOM 226 OD2 ASP A 718 14.399 -14.373 -3.647 1.00 44.00 O ATOM 227 H ASP A 718 13.175 -10.931 -2.993 1.00 0.00 H ATOM 228 N THR A 719 10.806 -10.039 -4.285 1.00 41.77 N ATOM 229 CA THR A 719 9.537 -9.331 -4.344 1.00 42.94 C ATOM 230 C THR A 719 9.682 -7.879 -4.780 1.00 40.67 C ATOM 231 O THR A 719 8.662 -7.213 -4.988 1.00 46.42 O ATOM 232 CB THR A 719 8.826 -9.371 -2.980 1.00 43.09 C ATOM 233 OG1 THR A 719 9.616 -8.683 -2.001 1.00 42.90 O ATOM 234 CG2 THR A 719 8.605 -10.806 -2.532 1.00 42.68 C ATOM 235 HG1 THR A 719 9.738 -7.741 -2.280 1.00 0.00 H ATOM 236 H THR A 719 11.587 -9.607 -3.750 1.00 0.00 H ATOM 237 N CYS A 720 10.902 -7.373 -4.922 1.00 30.12 N ATOM 238 CA CYS A 720 11.162 -6.013 -5.367 1.00 30.61 C ATOM 239 C CYS A 720 12.520 -6.004 -6.050 1.00 27.80 C ATOM 240 O CYS A 720 13.311 -6.937 -5.872 1.00 24.27 O ATOM 241 CB CYS A 720 11.132 -5.024 -4.192 1.00 41.22 C ATOM 242 SG CYS A 720 12.707 -4.856 -3.339 1.00 42.79 S ATOM 243 H CYS A 720 11.716 -7.983 -4.703 1.00 0.00 H ATOM 244 N PRO A 721 12.825 -4.970 -6.841 1.00 36.86 N ATOM 245 CA PRO A 721 14.045 -5.025 -7.661 1.00 40.58 C ATOM 246 C PRO A 721 15.297 -4.522 -6.956 1.00 41.75 C ATOM 247 O PRO A 721 16.262 -4.135 -7.623 1.00 40.62 O ATOM 248 CB PRO A 721 13.700 -4.127 -8.860 1.00 44.29 C ATOM 249 CG PRO A 721 12.264 -3.672 -8.655 1.00 39.82 C ATOM 250 CD PRO A 721 11.984 -3.821 -7.208 1.00 37.42 C ATOM 251 N ARG A 722 15.322 -4.545 -5.627 1.00 39.29 N ATOM 252 CA ARG A 722 16.488 -4.040 -4.919 1.00 40.39 C ATOM 253 C ARG A 722 17.569 -5.113 -4.795 1.00 42.35 C ATOM 254 O ARG A 722 17.310 -6.316 -4.892 1.00 46.10 O ATOM 255 CB ARG A 722 16.094 -3.517 -3.538 1.00 39.94 C ATOM 256 CG ARG A 722 15.147 -2.329 -3.581 1.00 36.01 C ATOM 257 CD ARG A 722 14.806 -1.842 -2.185 1.00 35.66 C ATOM 258 NE ARG A 722 14.156 -0.536 -2.217 1.00 40.16 N ATOM 259 CZ ARG A 722 12.840 -0.361 -2.277 1.00 41.31 C ATOM 260 NH1 ARG A 722 12.031 -1.414 -2.274 1.00 37.86 N ATOM 261 NH2 ARG A 722 12.332 0.865 -2.312 1.00 37.80 N ATOM 262 HE ARG A 722 14.760 0.310 -2.191 1.00 0.00 H ATOM 263 HH12 ARG A 722 11.001 -1.279 -2.321 1.00 0.00 H ATOM 264 HH11 ARG A 722 12.427 -2.374 -2.225 1.00 0.00 H ATOM 265 HH22 ARG A 722 11.302 1.000 -2.359 1.00 0.00 H ATOM 266 HH21 ARG A 722 12.964 1.691 -2.292 1.00 0.00 H ATOM 267 H ARG A 722 14.511 -4.922 -5.096 1.00 0.00 H ATOM 268 N SER A 723 18.801 -4.651 -4.574 1.00 42.00 N ATOM 269 CA SER A 723 19.968 -5.508 -4.417 1.00 41.15 C ATOM 270 C SER A 723 20.833 -4.965 -3.290 1.00 43.20 C ATOM 271 O SER A 723 20.986 -3.749 -3.151 1.00 45.42 O ATOM 272 CB SER A 723 20.785 -5.590 -5.712 1.00 44.01 C ATOM 273 OG SER A 723 20.086 -6.312 -6.710 1.00 47.60 O ATOM 274 HG SER A 723 20.634 -6.350 -7.533 1.00 0.00 H ATOM 275 H SER A 723 18.935 -3.622 -4.510 1.00 0.00 H ATOM 276 N PHE A 724 21.389 -5.868 -2.483 1.00 45.74 N ATOM 277 CA PHE A 724 22.139 -5.490 -1.293 1.00 40.43 C ATOM 278 C PHE A 724 23.410 -6.320 -1.200 1.00 44.65 C ATOM 279 O PHE A 724 23.378 -7.529 -1.436 1.00 49.13 O ATOM 280 CB PHE A 724 21.305 -5.707 -0.026 1.00 32.71 C ATOM 281 CG PHE A 724 19.945 -5.066 -0.067 1.00 33.79 C ATOM 282 CD1 PHE A 724 18.871 -5.724 -0.648 1.00 26.05 C ATOM 283 CD2 PHE A 724 19.733 -3.817 0.503 1.00 37.02 C ATOM 284 CE1 PHE A 724 17.621 -5.140 -0.684 1.00 29.99 C ATOM 285 CE2 PHE A 724 18.480 -3.232 0.478 1.00 33.33 C ATOM 286 CZ PHE A 724 17.423 -3.893 -0.117 1.00 36.18 C ATOM 287 H PHE A 724 21.284 -6.877 -2.711 1.00 0.00 H ATOM 288 N HIS A 725 24.518 -5.687 -0.816 1.00 45.06 N ATOM 289 CA HIS A 725 25.675 -6.466 -0.397 1.00 45.47 C ATOM 290 C HIS A 725 25.304 -7.378 0.771 1.00 52.21 C ATOM 291 O HIS A 725 24.321 -7.154 1.485 1.00 50.35 O ATOM 292 CB HIS A 725 26.845 -5.562 -0.005 1.00 35.37 C ATOM 293 CG HIS A 725 27.524 -4.906 -1.166 1.00 37.30 C ATOM 294 ND1 HIS A 725 27.084 -3.724 -1.717 1.00 44.81 N ATOM 295 CD2 HIS A 725 28.613 -5.270 -1.883 1.00 45.93 C ATOM 296 CE1 HIS A 725 27.869 -3.386 -2.725 1.00 42.94 C ATOM 297 NE2 HIS A 725 28.806 -4.308 -2.847 1.00 45.79 N ATOM 298 H HIS A 725 24.556 -4.648 -0.816 1.00 0.00 H ATOM 299 N GLU A 726 26.115 -8.424 0.958 1.00 55.20 N ATOM 300 CA GLU A 726 25.808 -9.437 1.965 1.00 58.65 C ATOM 301 C GLU A 726 25.698 -8.828 3.358 1.00 65.04 C ATOM 302 O GLU A 726 24.855 -9.246 4.160 1.00 69.81 O ATOM 303 CB GLU A 726 26.871 -10.537 1.939 1.00 64.00 C ATOM 304 CG GLU A 726 26.791 -11.520 3.097 1.00 66.15 C ATOM 305 CD GLU A 726 27.718 -12.709 2.917 1.00 69.79 C ATOM 306 OE1 GLU A 726 28.510 -12.706 1.951 1.00 67.42 O ATOM 307 OE2 GLU A 726 27.653 -13.648 3.740 1.00 72.06 O ATOM 308 H GLU A 726 26.974 -8.518 0.380 1.00 0.00 H ATOM 309 N HIS A 727 26.525 -7.826 3.659 1.00 62.04 N ATOM 310 CA HIS A 727 26.538 -7.208 4.976 1.00 57.48 C ATOM 311 C HIS A 727 25.976 -5.792 4.997 1.00 55.78 C ATOM 312 O HIS A 727 25.803 -5.233 6.085 1.00 54.39 O ATOM 313 CB HIS A 727 27.962 -7.212 5.552 1.00 61.41 C ATOM 314 CG HIS A 727 28.452 -8.580 5.919 1.00 65.45 C ATOM 315 ND1 HIS A 727 27.597 -9.627 6.188 1.00 62.63 N ATOM 316 CD2 HIS A 727 29.706 -9.074 6.057 1.00 68.63 C ATOM 317 CE1 HIS A 727 28.301 -10.706 6.475 1.00 67.21 C ATOM 318 NE2 HIS A 727 29.584 -10.398 6.403 1.00 70.92 N ATOM 319 H HIS A 727 27.180 -7.476 2.931 1.00 0.00 H ATOM 320 N CYS A 728 25.693 -5.194 3.837 1.00 56.83 N ATOM 321 CA CYS A 728 25.053 -3.885 3.822 1.00 44.79 C ATOM 322 C CYS A 728 23.573 -3.978 4.155 1.00 48.43 C ATOM 323 O CYS A 728 22.992 -3.000 4.639 1.00 51.14 O ATOM 324 CB CYS A 728 25.227 -3.219 2.455 1.00 31.01 C ATOM 325 SG CYS A 728 26.821 -2.413 2.215 1.00 36.37 S ATOM 326 H CYS A 728 25.930 -5.665 2.940 1.00 0.00 H ATOM 327 N HIS A 729 22.959 -5.129 3.909 1.00 45.71 N ATOM 328 CA HIS A 729 21.585 -5.367 4.312 1.00 40.69 C ATOM 329 C HIS A 729 21.522 -5.667 5.805 1.00 43.00 C ATOM 330 O HIS A 729 22.451 -6.233 6.387 1.00 44.79 O ATOM 331 CB HIS A 729 20.992 -6.530 3.516 1.00 33.25 C ATOM 332 CG HIS A 729 19.527 -6.734 3.740 1.00 33.19 C ATOM 333 ND1 HIS A 729 19.034 -7.635 4.659 1.00 37.86 N ATOM 334 CD2 HIS A 729 18.447 -6.158 3.160 1.00 30.72 C ATOM 335 CE1 HIS A 729 17.714 -7.601 4.640 1.00 38.74 C ATOM 336 NE2 HIS A 729 17.332 -6.715 3.737 1.00 33.63 N ATOM 337 H HIS A 729 23.477 -5.882 3.413 1.00 0.00 H ATOM 338 N ILE A 730 20.422 -5.256 6.431 1.00 44.61 N ATOM 339 CA ILE A 730 20.195 -5.537 7.847 1.00 44.80 C ATOM 340 C ILE A 730 18.780 -6.081 8.049 1.00 48.41 C ATOM 341 O ILE A 730 17.803 -5.417 7.701 1.00 50.46 O ATOM 342 CB ILE A 730 20.442 -4.286 8.717 1.00 40.86 C ATOM 343 CG1 ILE A 730 21.755 -3.603 8.325 1.00 38.48 C ATOM 344 CG2 ILE A 730 20.457 -4.656 10.197 1.00 37.75 C ATOM 345 CD1 ILE A 730 21.939 -2.230 8.921 1.00 40.47 C ATOM 346 H ILE A 730 19.706 -4.721 5.899 1.00 0.00 H ATOM 347 N PRO A 731 18.658 -7.296 8.618 1.00 49.17 N ATOM 348 CA PRO A 731 19.728 -8.218 9.026 1.00 48.64 C ATOM 349 C PRO A 731 20.545 -8.737 7.849 1.00 48.62 C ATOM 350 O PRO A 731 20.090 -8.620 6.713 1.00 53.50 O ATOM 351 CB PRO A 731 18.966 -9.374 9.690 1.00 43.86 C ATOM 352 CG PRO A 731 17.589 -8.849 9.942 1.00 43.33 C ATOM 353 CD PRO A 731 17.333 -7.900 8.825 1.00 45.93 C ATOM 354 N SER A 732 21.725 -9.296 8.120 1.00 48.85 N ATOM 355 CA SER A 732 22.541 -9.871 7.059 1.00 52.27 C ATOM 356 C SER A 732 21.745 -10.913 6.284 1.00 52.09 C ATOM 357 O SER A 732 20.984 -11.694 6.860 1.00 53.56 O ATOM 358 CB SER A 732 23.813 -10.493 7.637 1.00 48.33 C ATOM 359 OG SER A 732 24.792 -9.501 7.893 1.00 40.63 O ATOM 360 HG SER A 732 25.604 -9.928 8.266 1.00 0.00 H ATOM 361 H SER A 732 22.067 -9.322 9.102 1.00 0.00 H ATOM 362 N VAL A 733 21.903 -10.891 4.960 1.00 50.52 N ATOM 363 CA VAL A 733 21.061 -11.709 4.095 1.00 54.98 C ATOM 364 C VAL A 733 21.222 -13.184 4.431 1.00 60.24 C ATOM 365 O VAL A 733 22.340 -13.712 4.508 1.00 60.74 O ATOM 366 CB VAL A 733 21.378 -11.438 2.616 1.00 43.16 C ATOM 367 CG1 VAL A 733 20.391 -12.179 1.721 1.00 41.53 C ATOM 368 CG2 VAL A 733 21.343 -9.947 2.327 1.00 29.38 C ATOM 369 H VAL A 733 22.635 -10.284 4.540 1.00 0.00 H ATOM 370 N GLU A 734 20.092 -13.854 4.631 1.00 62.96 N ATOM 371 CA GLU A 734 20.005 -15.306 4.757 1.00 65.34 C ATOM 372 C GLU A 734 20.178 -15.906 3.365 1.00 61.38 C ATOM 373 O GLU A 734 19.221 -16.093 2.610 1.00 60.99 O ATOM 374 CB GLU A 734 18.683 -15.665 5.420 1.00 69.70 C ATOM 375 CG GLU A 734 18.466 -14.766 6.647 1.00 72.80 C ATOM 376 CD GLU A 734 17.430 -15.284 7.627 1.00 76.19 C ATOM 377 OE1 GLU A 734 16.519 -16.031 7.215 1.00 77.73 O ATOM 378 OE2 GLU A 734 17.581 -15.008 8.835 1.00 77.55 O ATOM 379 H GLU A 734 19.210 -13.307 4.703 1.00 0.00 H ATOM 380 N ALA A 735 21.431 -16.231 3.031 1.00 55.27 N ATOM 381 CA ALA A 735 21.786 -16.552 1.651 1.00 53.88 C ATOM 382 C ALA A 735 21.043 -17.758 1.094 1.00 60.79 C ATOM 383 O ALA A 735 21.043 -17.941 -0.127 1.00 65.25 O ATOM 384 CB ALA A 735 23.295 -16.778 1.524 1.00 45.04 C ATOM 385 H ALA A 735 22.166 -16.256 3.767 1.00 0.00 H ATOM 386 N ASN A 736 20.394 -18.568 1.933 1.00 61.55 N ATOM 387 CA ASN A 736 19.790 -19.818 1.482 1.00 71.59 C ATOM 388 C ASN A 736 18.279 -19.834 1.693 1.00 73.86 C ATOM 389 O ASN A 736 17.683 -20.897 1.882 1.00 73.43 O ATOM 390 CB ASN A 736 20.434 -21.007 2.193 1.00 76.26 C ATOM 391 CG ASN A 736 21.901 -21.171 1.846 1.00 79.83 C ATOM 392 OD1 ASN A 736 22.249 -21.785 0.838 1.00 82.50 O ATOM 393 ND2 ASN A 736 22.772 -20.616 2.683 1.00 78.89 N ATOM 394 HD22 ASN A 736 22.433 -20.106 3.524 1.00 0.00 H ATOM 395 HD21 ASN A 736 23.792 -20.692 2.497 1.00 0.00 H ATOM 396 H ASN A 736 20.317 -18.301 2.935 1.00 0.00 H ATOM 397 N LYS A 737 17.647 -18.665 1.659 1.00 74.68 N ATOM 398 CA LYS A 737 16.214 -18.534 1.886 1.00 76.71 C ATOM 399 C LYS A 737 15.526 -18.210 0.564 1.00 75.66 C ATOM 400 O LYS A 737 15.876 -17.226 -0.097 1.00 74.23 O ATOM 401 CB LYS A 737 15.941 -17.457 2.937 1.00 80.17 C ATOM 402 CG LYS A 737 14.505 -17.379 3.420 1.00 80.41 C ATOM 403 CD LYS A 737 14.459 -16.806 4.829 1.00 76.13 C ATOM 404 CE LYS A 737 13.037 -16.657 5.335 1.00 73.65 C ATOM 405 NZ LYS A 737 12.272 -15.653 4.550 1.00 72.59 N ATOM 406 HZ1 LYS A 737 12.742 -14.728 4.621 1.00 0.00 H ATOM 407 HZ2 LYS A 737 12.235 -15.949 3.554 1.00 0.00 H ATOM 408 HZ3 LYS A 737 11.306 -15.582 4.928 1.00 0.00 H ATOM 409 H LYS A 737 18.200 -17.806 1.462 1.00 0.00 H ATOM 410 N ASN A 738 14.563 -19.043 0.178 1.00 76.91 N ATOM 411 CA ASN A 738 13.849 -18.867 -1.084 1.00 75.08 C ATOM 412 C ASN A 738 12.338 -18.994 -0.891 1.00 70.95 C ATOM 413 O ASN A 738 11.854 -20.033 -0.442 1.00 68.62 O ATOM 414 CB ASN A 738 14.318 -19.894 -2.122 1.00 78.81 C ATOM 415 CG ASN A 738 15.809 -19.809 -2.399 1.00 85.26 C ATOM 416 OD1 ASN A 738 16.233 -19.257 -3.417 1.00 90.59 O ATOM 417 ND2 ASN A 738 16.613 -20.371 -1.501 1.00 82.30 N ATOM 418 HD22 ASN A 738 16.212 -20.826 -0.656 1.00 0.00 H ATOM 419 HD21 ASN A 738 17.643 -20.356 -1.643 1.00 0.00 H ATOM 420 H ASN A 738 14.311 -19.843 0.793 1.00 0.00 H ATOM 421 N PRO A 739 11.585 -17.934 -1.227 1.00 73.56 N ATOM 422 CA PRO A 739 12.075 -16.684 -1.819 1.00 73.31 C ATOM 423 C PRO A 739 12.478 -15.671 -0.750 1.00 68.53 C ATOM 424 O PRO A 739 11.801 -15.568 0.272 1.00 70.35 O ATOM 425 CB PRO A 739 10.867 -16.181 -2.610 1.00 74.50 C ATOM 426 CG PRO A 739 9.704 -16.672 -1.824 1.00 74.47 C ATOM 427 CD PRO A 739 10.113 -18.008 -1.252 1.00 71.91 C ATOM 428 N TRP A 740 13.575 -14.950 -0.972 1.00 59.74 N ATOM 429 CA TRP A 740 14.073 -13.999 0.011 1.00 54.09 C ATOM 430 C TRP A 740 13.501 -12.614 -0.261 1.00 48.54 C ATOM 431 O TRP A 740 13.609 -12.097 -1.378 1.00 49.40 O ATOM 432 CB TRP A 740 15.600 -13.941 0.005 1.00 51.69 C ATOM 433 CG TRP A 740 16.137 -12.911 0.952 1.00 55.83 C ATOM 434 CD1 TRP A 740 16.182 -12.997 2.314 1.00 55.78 C ATOM 435 CD2 TRP A 740 16.691 -11.633 0.614 1.00 57.95 C ATOM 436 NE1 TRP A 740 16.733 -11.857 2.844 1.00 53.71 N ATOM 437 CE2 TRP A 740 17.054 -11.003 1.823 1.00 53.76 C ATOM 438 CE3 TRP A 740 16.918 -10.961 -0.592 1.00 57.81 C ATOM 439 CZ2 TRP A 740 17.631 -9.736 1.862 1.00 49.38 C ATOM 440 CZ3 TRP A 740 17.492 -9.702 -0.551 1.00 55.92 C ATOM 441 CH2 TRP A 740 17.842 -9.103 0.668 1.00 54.97 C ATOM 442 HE1 TRP A 740 16.882 -11.672 3.856 1.00 0.00 H ATOM 443 H TRP A 740 14.088 -15.069 -1.869 1.00 0.00 H ATOM 444 N SER A 741 12.901 -12.017 0.763 1.00 40.51 N ATOM 445 CA SER A 741 12.369 -10.667 0.687 1.00 43.78 C ATOM 446 C SER A 741 13.245 -9.736 1.514 1.00 45.03 C ATOM 447 O SER A 741 13.690 -10.095 2.610 1.00 50.20 O ATOM 448 CB SER A 741 10.924 -10.617 1.188 1.00 51.00 C ATOM 449 OG SER A 741 10.072 -11.378 0.349 1.00 54.58 O ATOM 450 HG SER A 741 9.145 -11.331 0.692 1.00 0.00 H ATOM 451 H SER A 741 12.808 -12.539 1.658 1.00 0.00 H ATOM 452 N CYS A 742 13.482 -8.537 0.987 1.00 39.65 N ATOM 453 CA CYS A 742 14.374 -7.580 1.620 1.00 31.45 C ATOM 454 C CYS A 742 13.666 -6.872 2.773 1.00 30.95 C ATOM 455 O CYS A 742 12.479 -7.084 3.039 1.00 32.90 O ATOM 456 CB CYS A 742 14.898 -6.584 0.587 1.00 33.72 C ATOM 457 SG CYS A 742 13.731 -5.312 0.022 1.00 34.60 S ATOM 458 H CYS A 742 13.015 -8.277 0.095 1.00 0.00 H ATOM 459 N ILE A 743 14.404 -5.990 3.452 1.00 36.57 N ATOM 460 CA ILE A 743 13.873 -5.325 4.636 1.00 42.92 C ATOM 461 C ILE A 743 12.758 -4.353 4.279 1.00 46.80 C ATOM 462 O ILE A 743 11.864 -4.109 5.099 1.00 52.40 O ATOM 463 CB ILE A 743 15.026 -4.617 5.383 1.00 48.05 C ATOM 464 CG1 ILE A 743 14.540 -3.948 6.671 1.00 49.01 C ATOM 465 CG2 ILE A 743 15.713 -3.597 4.479 1.00 46.56 C ATOM 466 CD1 ILE A 743 14.015 -4.909 7.694 1.00 53.11 C ATOM 467 H ILE A 743 15.370 -5.775 3.132 1.00 0.00 H ATOM 468 N PHE A 744 12.736 -3.849 3.044 1.00 46.23 N ATOM 469 CA PHE A 744 11.714 -2.880 2.667 1.00 46.14 C ATOM 470 C PHE A 744 10.372 -3.569 2.450 1.00 52.18 C ATOM 471 O PHE A 744 9.321 -3.038 2.838 1.00 54.27 O ATOM 472 CB PHE A 744 12.138 -2.127 1.401 1.00 37.26 C ATOM 473 CG PHE A 744 13.302 -1.190 1.604 1.00 29.85 C ATOM 474 CD1 PHE A 744 14.605 -1.657 1.518 1.00 27.80 C ATOM 475 CD2 PHE A 744 13.096 0.152 1.876 1.00 29.00 C ATOM 476 CE1 PHE A 744 15.678 -0.803 1.702 1.00 26.14 C ATOM 477 CE2 PHE A 744 14.167 1.011 2.061 1.00 27.22 C ATOM 478 CZ PHE A 744 15.459 0.532 1.975 1.00 23.51 C ATOM 479 H PHE A 744 13.449 -4.148 2.349 1.00 0.00 H ATOM 480 N CYS A 745 10.399 -4.774 1.874 1.00 49.36 N ATOM 481 CA CYS A 745 9.169 -5.533 1.679 1.00 47.06 C ATOM 482 C CYS A 745 8.636 -6.068 3.003 1.00 52.77 C ATOM 483 O CYS A 745 7.421 -6.056 3.238 1.00 58.25 O ATOM 484 CB CYS A 745 9.399 -6.683 0.695 1.00 44.07 C ATOM 485 SG CYS A 745 9.988 -6.221 -0.966 1.00 41.55 S ATOM 486 H CYS A 745 11.306 -5.175 1.561 1.00 0.00 H ATOM 487 N ARG A 746 9.526 -6.536 3.884 1.00 51.80 N ATOM 488 CA ARG A 746 9.078 -7.021 5.186 1.00 56.96 C ATOM 489 C ARG A 746 8.507 -5.886 6.026 1.00 63.92 C ATOM 490 O ARG A 746 7.509 -6.069 6.739 1.00 68.43 O ATOM 491 CB ARG A 746 10.239 -7.698 5.921 1.00 57.84 C ATOM 492 CG ARG A 746 10.593 -9.092 5.414 1.00 52.73 C ATOM 493 CD ARG A 746 12.007 -9.488 5.829 1.00 54.76 C ATOM 494 NE ARG A 746 12.090 -9.884 7.233 1.00 61.70 N ATOM 495 CZ ARG A 746 13.194 -10.345 7.815 1.00 62.10 C ATOM 496 NH1 ARG A 746 13.182 -10.673 9.101 1.00 52.96 N ATOM 497 NH2 ARG A 746 14.312 -10.475 7.112 1.00 66.80 N ATOM 498 HE ARG A 746 11.232 -9.800 7.814 1.00 0.00 H ATOM 499 HH12 ARG A 746 14.046 -11.033 9.554 1.00 0.00 H ATOM 500 HH11 ARG A 746 12.308 -10.570 9.656 1.00 0.00 H ATOM 501 HH22 ARG A 746 15.174 -10.835 7.568 1.00 0.00 H ATOM 502 HH21 ARG A 746 14.326 -10.216 6.105 1.00 0.00 H ATOM 503 H ARG A 746 10.537 -6.555 3.642 1.00 0.00 H ATOM 504 N ILE A 747 9.099 -4.693 5.919 1.00 69.36 N ATOM 505 CA ILE A 747 8.536 -3.534 6.602 1.00 72.18 C ATOM 506 C ILE A 747 7.171 -3.186 6.025 1.00 76.06 C ATOM 507 O ILE A 747 6.252 -2.829 6.766 1.00 77.28 O ATOM 508 CB ILE A 747 9.508 -2.342 6.555 1.00 70.60 C ATOM 509 CG1 ILE A 747 10.638 -2.569 7.559 1.00 73.87 C ATOM 510 CG2 ILE A 747 8.782 -1.039 6.883 1.00 66.98 C ATOM 511 CD1 ILE A 747 10.169 -2.593 9.003 1.00 78.15 C ATOM 512 H ILE A 747 9.962 -4.591 5.348 1.00 0.00 H ATOM 513 N LYS A 748 7.020 -3.247 4.699 1.00 78.17 N ATOM 514 CA LYS A 748 5.712 -2.959 4.111 1.00 80.21 C ATOM 515 C LYS A 748 4.653 -3.943 4.609 1.00 76.06 C ATOM 516 O LYS A 748 3.556 -3.536 5.033 1.00 72.22 O ATOM 517 CB LYS A 748 5.814 -3.002 2.586 1.00 83.91 C ATOM 518 CG LYS A 748 4.779 -2.169 1.851 1.00 86.83 C ATOM 519 CD LYS A 748 4.905 -2.348 0.345 1.00 89.34 C ATOM 520 CE LYS A 748 3.797 -1.608 -0.386 1.00 91.05 C ATOM 521 NZ LYS A 748 4.322 -0.779 -1.507 1.00 90.61 N ATOM 522 HZ1 LYS A 748 4.990 -0.075 -1.133 1.00 0.00 H ATOM 523 HZ2 LYS A 748 4.809 -1.392 -2.191 1.00 0.00 H ATOM 524 HZ3 LYS A 748 3.532 -0.293 -1.977 1.00 0.00 H ATOM 525 H LYS A 748 7.825 -3.497 4.090 1.00 0.00 H ATOM 526 N THR A 749 4.998 -5.237 4.631 1.00 75.84 N ATOM 527 CA THR A 749 4.089 -6.263 5.136 1.00 80.00 C ATOM 528 C THR A 749 3.679 -5.979 6.574 1.00 85.67 C ATOM 529 O THR A 749 2.498 -6.078 6.926 1.00 86.72 O ATOM 530 CB THR A 749 4.742 -7.644 5.034 1.00 79.20 C ATOM 531 OG1 THR A 749 5.164 -7.886 3.686 1.00 81.23 O ATOM 532 CG2 THR A 749 3.769 -8.731 5.470 1.00 77.00 C ATOM 533 HG1 THR A 749 5.819 -7.194 3.417 1.00 0.00 H ATOM 534 H THR A 749 5.936 -5.518 4.280 1.00 0.00 H ATOM 535 N ILE A 750 4.647 -5.642 7.428 1.00 87.62 N ATOM 536 CA ILE A 750 4.327 -5.359 8.824 1.00 88.07 C ATOM 537 C ILE A 750 3.462 -4.108 8.933 1.00 93.33 C ATOM 538 O ILE A 750 2.425 -4.102 9.606 1.00 90.88 O ATOM 539 CB ILE A 750 5.619 -5.210 9.644 1.00 83.80 C ATOM 540 CG1 ILE A 750 6.288 -6.570 9.848 1.00 82.84 C ATOM 541 CG2 ILE A 750 5.325 -4.550 10.983 1.00 82.45 C ATOM 542 CD1 ILE A 750 7.581 -6.487 10.625 1.00 80.72 C ATOM 543 H ILE A 750 5.632 -5.581 7.099 1.00 0.00 H ATOM 544 N GLN A 751 3.879 -3.035 8.257 1.00107.57 N ATOM 545 CA GLN A 751 3.238 -1.732 8.393 1.00117.17 C ATOM 546 C GLN A 751 1.765 -1.785 8.021 1.00125.91 C ATOM 547 O GLN A 751 0.904 -1.336 8.788 1.00128.33 O ATOM 548 CB GLN A 751 3.959 -0.708 7.516 1.00118.81 C ATOM 549 CG GLN A 751 4.080 0.669 8.127 1.00120.80 C ATOM 550 CD GLN A 751 5.297 1.416 7.621 1.00121.52 C ATOM 551 OE1 GLN A 751 5.543 1.480 6.417 1.00121.58 O ATOM 552 NE2 GLN A 751 6.087 1.954 8.544 1.00120.25 N ATOM 553 HE22 GLN A 751 5.839 1.875 9.551 1.00 0.00 H ATOM 554 HE21 GLN A 751 6.953 2.454 8.260 1.00 0.00 H ATOM 555 H GLN A 751 4.689 -3.132 7.611 1.00 0.00 H ATOM 556 N GLU A 752 1.448 -2.327 6.845 1.00129.69 N ATOM 557 CA GLU A 752 0.046 -2.332 6.441 1.00130.17 C ATOM 558 C GLU A 752 -0.786 -3.398 7.149 1.00129.02 C ATOM 559 O GLU A 752 -1.966 -3.557 6.818 1.00131.38 O ATOM 560 CB GLU A 752 -0.066 -2.469 4.920 1.00133.17 C ATOM 561 CG GLU A 752 0.319 -1.183 4.203 1.00133.13 C ATOM 562 CD GLU A 752 0.412 -1.337 2.702 1.00133.61 C ATOM 563 OE1 GLU A 752 0.596 -2.476 2.227 1.00134.46 O ATOM 564 OE2 GLU A 752 0.307 -0.312 1.994 1.00133.08 O ATOM 565 H GLU A 752 2.181 -2.736 6.231 1.00 0.00 H ATOM 566 N ARG A 753 -0.216 -4.099 8.129 1.00121.60 N ATOM 567 CA ARG A 753 -0.954 -5.082 8.913 1.00114.09 C ATOM 568 C ARG A 753 -0.531 -5.030 10.378 1.00108.02 C ATOM 569 O ARG A 753 -0.354 -6.066 11.028 1.00102.93 O ATOM 570 CB ARG A 753 -0.776 -6.492 8.347 1.00111.10 C ATOM 571 CG ARG A 753 -2.088 -7.239 8.121 1.00108.89 C ATOM 572 CD ARG A 753 -3.194 -6.655 8.986 1.00107.98 C ATOM 573 NE ARG A 753 -3.897 -7.666 9.766 1.00107.50 N ATOM 574 CZ ARG A 753 -4.461 -7.426 10.944 1.00106.35 C ATOM 575 NH1 ARG A 753 -4.387 -6.215 11.479 1.00106.17 N ATOM 576 NH2 ARG A 753 -5.088 -8.398 11.593 1.00105.64 N ATOM 577 HE ARG A 753 -3.960 -8.629 9.378 1.00 0.00 H ATOM 578 HH12 ARG A 753 -4.828 -6.026 12.402 1.00 0.00 H ATOM 579 HH11 ARG A 753 -3.888 -5.454 10.976 1.00 0.00 H ATOM 580 HH22 ARG A 753 -5.529 -8.207 12.515 1.00 0.00 H ATOM 581 HH21 ARG A 753 -5.139 -9.351 11.179 1.00 0.00 H ATOM 582 H ARG A 753 0.789 -3.939 8.342 1.00 0.00 H ATOM 583 N SER A 754 -0.365 -3.823 10.915 1.00105.65 N ATOM 584 CA SER A 754 -0.075 -3.643 12.338 1.00 99.50 C ATOM 585 C SER A 754 -0.498 -2.253 12.805 1.00 99.36 C ATOM 586 O SER A 754 -1.229 -1.548 12.108 1.00 98.42 O ATOM 587 CB SER A 754 1.414 -3.859 12.629 1.00 92.71 C ATOM 588 OG SER A 754 2.165 -2.686 12.368 1.00 88.54 O ATOM 589 HG SER A 754 2.063 -2.435 11.416 1.00 0.00 H ATOM 590 H SER A 754 -0.444 -2.984 10.306 1.00 0.00 H TER 591 SER A 754 ATOM 592 N GLY A 760 -1.192 7.707 16.859 1.00 79.25 N ATOM 593 CA GLY A 760 -0.002 8.255 17.476 1.00 82.92 C ATOM 594 C GLY A 760 0.375 7.591 18.785 1.00 88.94 C ATOM 595 O GLY A 760 -0.477 7.328 19.636 1.00 91.23 O ATOM 596 HN3 GLY A 760 -1.999 7.820 17.505 1.00 0.00 H ATOM 597 HN2 GLY A 760 -1.044 6.697 16.660 1.00 0.00 H ATOM 598 HN1 GLY A 760 -1.384 8.212 15.970 1.00 0.00 H ATOM 599 N HIS A 761 1.666 7.331 18.952 1.00 89.53 N ATOM 600 CA HIS A 761 2.195 6.659 20.127 1.00 87.60 C ATOM 601 C HIS A 761 3.024 7.658 20.925 1.00 88.09 C ATOM 602 O HIS A 761 3.341 8.755 20.454 1.00 90.36 O ATOM 603 CB HIS A 761 3.052 5.452 19.722 1.00 89.35 C ATOM 604 CG HIS A 761 2.297 4.381 18.993 1.00 93.08 C ATOM 605 ND1 HIS A 761 2.924 3.322 18.370 1.00 92.77 N ATOM 606 CD2 HIS A 761 0.972 4.215 18.770 1.00 93.83 C ATOM 607 CE1 HIS A 761 2.016 2.544 17.806 1.00 91.76 C ATOM 608 NE2 HIS A 761 0.824 3.065 18.033 1.00 92.78 N ATOM 609 H HIS A 761 2.330 7.622 18.207 1.00 0.00 H ATOM 610 N GLN A 762 3.386 7.272 22.143 1.00 79.91 N ATOM 611 CA GLN A 762 4.268 8.080 22.973 1.00 69.82 C ATOM 612 C GLN A 762 5.665 7.470 22.967 1.00 60.05 C ATOM 613 O GLN A 762 5.817 6.245 22.994 1.00 61.60 O ATOM 614 CB GLN A 762 3.727 8.191 24.400 1.00 73.45 C ATOM 615 CG GLN A 762 4.629 8.947 25.361 1.00 83.68 C ATOM 616 CD GLN A 762 3.921 9.326 26.649 1.00 96.19 C ATOM 617 OE1 GLN A 762 2.769 8.951 26.874 1.00102.52 O ATOM 618 NE2 GLN A 762 4.609 10.076 27.503 1.00 97.64 N ATOM 619 HE22 GLN A 762 5.580 10.370 27.272 1.00 0.00 H ATOM 620 HE21 GLN A 762 4.177 10.369 28.402 1.00 0.00 H ATOM 621 H GLN A 762 3.030 6.368 22.514 1.00 0.00 H ATOM 622 N GLU A 763 6.685 8.334 22.932 1.00 52.84 N ATOM 623 CA GLU A 763 8.065 7.855 22.873 1.00 55.13 C ATOM 624 C GLU A 763 8.413 6.957 24.059 1.00 59.98 C ATOM 625 O GLU A 763 9.150 5.976 23.900 1.00 59.57 O ATOM 626 CB GLU A 763 9.033 9.035 22.798 1.00 56.52 C ATOM 627 CG GLU A 763 10.415 8.632 22.310 1.00 60.56 C ATOM 628 CD GLU A 763 11.458 9.714 22.503 1.00 68.02 C ATOM 629 OE1 GLU A 763 11.268 10.837 21.984 1.00 67.87 O ATOM 630 OE2 GLU A 763 12.477 9.432 23.168 1.00 71.98 O ATOM 631 H GLU A 763 6.495 9.356 22.947 1.00 0.00 H ATOM 632 N SER A 764 7.912 7.283 25.255 1.00 63.79 N ATOM 633 CA SER A 764 8.171 6.448 26.428 1.00 64.11 C ATOM 634 C SER A 764 7.682 5.021 26.207 1.00 68.50 C ATOM 635 O SER A 764 8.400 4.052 26.486 1.00 68.80 O ATOM 636 CB SER A 764 7.510 7.055 27.667 1.00 66.52 C ATOM 637 OG SER A 764 7.869 8.416 27.832 1.00 74.75 O ATOM 638 HG SER A 764 7.426 8.777 28.640 1.00 0.00 H ATOM 639 H SER A 764 7.331 8.140 25.353 1.00 0.00 H ATOM 640 N GLU A 765 6.457 4.876 25.701 1.00 72.07 N ATOM 641 CA GLU A 765 5.891 3.548 25.499 1.00 72.27 C ATOM 642 C GLU A 765 6.658 2.783 24.428 1.00 73.65 C ATOM 643 O GLU A 765 6.908 1.581 24.576 1.00 77.07 O ATOM 644 CB GLU A 765 4.412 3.671 25.129 1.00 75.63 C ATOM 645 CG GLU A 765 3.711 2.353 24.828 1.00 80.39 C ATOM 646 CD GLU A 765 3.749 2.000 23.350 1.00 83.05 C ATOM 647 OE1 GLU A 765 3.358 2.850 22.520 1.00 82.89 O ATOM 648 OE2 GLU A 765 4.172 0.871 23.018 1.00 81.74 O ATOM 649 H GLU A 765 5.901 5.718 25.448 1.00 0.00 H ATOM 650 N VAL A 766 7.024 3.461 23.337 1.00 68.73 N ATOM 651 CA VAL A 766 7.815 2.824 22.285 1.00 62.37 C ATOM 652 C VAL A 766 9.138 2.314 22.845 1.00 60.64 C ATOM 653 O VAL A 766 9.524 1.160 22.624 1.00 57.58 O ATOM 654 CB VAL A 766 8.040 3.795 21.114 1.00 54.89 C ATOM 655 CG1 VAL A 766 9.098 3.237 20.175 1.00 53.82 C ATOM 656 CG2 VAL A 766 6.736 4.046 20.381 1.00 52.04 C ATOM 657 H VAL A 766 6.742 4.457 23.234 1.00 0.00 H ATOM 658 N LEU A 767 9.867 3.182 23.551 1.00 60.08 N ATOM 659 CA LEU A 767 11.152 2.789 24.120 1.00 59.89 C ATOM 660 C LEU A 767 11.006 1.655 25.128 1.00 66.42 C ATOM 661 O LEU A 767 11.916 0.830 25.267 1.00 71.22 O ATOM 662 CB LEU A 767 11.823 3.999 24.770 1.00 54.00 C ATOM 663 CG LEU A 767 12.343 5.049 23.785 1.00 48.66 C ATOM 664 CD1 LEU A 767 12.990 6.208 24.515 1.00 48.10 C ATOM 665 CD2 LEU A 767 13.324 4.418 22.815 1.00 48.62 C ATOM 666 H LEU A 767 9.515 4.150 23.697 1.00 0.00 H ATOM 667 N MET A 768 9.881 1.601 25.845 1.00 67.51 N ATOM 668 CA MET A 768 9.652 0.541 26.821 1.00 72.70 C ATOM 669 C MET A 768 9.444 -0.835 26.193 1.00 73.99 C ATOM 670 O MET A 768 9.470 -1.832 26.924 1.00 77.41 O ATOM 671 CB MET A 768 8.451 0.892 27.697 1.00 80.74 C ATOM 672 CG MET A 768 8.703 0.679 29.178 1.00 86.28 C ATOM 673 SD MET A 768 10.077 1.681 29.779 1.00 88.67 S ATOM 674 CE MET A 768 9.247 3.226 30.143 1.00 88.35 C ATOM 675 H MET A 768 9.153 2.330 25.705 1.00 0.00 H ATOM 676 N ARG A 769 9.242 -0.921 24.879 1.00 69.61 N ATOM 677 CA ARG A 769 8.885 -2.191 24.258 1.00 63.25 C ATOM 678 C ARG A 769 10.066 -3.151 24.218 1.00 62.86 C ATOM 679 O ARG A 769 11.202 -2.758 23.945 1.00 64.18 O ATOM 680 CB ARG A 769 8.373 -1.965 22.838 1.00 58.81 C ATOM 681 CG ARG A 769 7.054 -1.239 22.758 1.00 56.23 C ATOM 682 CD ARG A 769 6.569 -1.190 21.326 1.00 58.51 C ATOM 683 NE ARG A 769 5.586 -0.133 21.118 1.00 61.21 N ATOM 684 CZ ARG A 769 5.123 0.229 19.927 1.00 61.34 C ATOM 685 NH1 ARG A 769 5.536 -0.397 18.832 1.00 61.53 N ATOM 686 NH2 ARG A 769 4.229 1.202 19.833 1.00 60.47 N ATOM 687 HE ARG A 769 5.225 0.369 21.954 1.00 0.00 H ATOM 688 HH12 ARG A 769 5.172 -0.111 17.901 1.00 0.00 H ATOM 689 HH11 ARG A 769 6.224 -1.173 18.905 1.00 0.00 H ATOM 690 HH22 ARG A 769 3.866 1.486 18.901 1.00 0.00 H ATOM 691 HH21 ARG A 769 3.890 1.682 20.691 1.00 0.00 H ATOM 692 H ARG A 769 9.340 -0.071 24.288 1.00 0.00 H ATOM 693 N GLN A 770 9.781 -4.424 24.476 1.00 62.64 N ATOM 694 CA GLN A 770 10.787 -5.465 24.347 1.00 63.52 C ATOM 695 C GLN A 770 11.073 -5.736 22.872 1.00 65.00 C ATOM 696 O GLN A 770 10.206 -5.582 22.007 1.00 61.34 O ATOM 697 CB GLN A 770 10.320 -6.741 25.053 1.00 67.54 C ATOM 698 CG GLN A 770 11.348 -7.864 25.089 1.00 74.29 C ATOM 699 CD GLN A 770 11.182 -8.781 26.287 1.00 77.03 C ATOM 700 OE1 GLN A 770 10.070 -9.001 26.768 1.00 77.86 O ATOM 701 NE2 GLN A 770 12.295 -9.315 26.780 1.00 75.84 N ATOM 702 HE22 GLN A 770 13.213 -9.101 26.341 1.00 0.00 H ATOM 703 HE21 GLN A 770 12.248 -9.947 27.605 1.00 0.00 H ATOM 704 H GLN A 770 8.819 -4.680 24.776 1.00 0.00 H ATOM 705 N MET A 771 12.310 -6.142 22.587 1.00 64.43 N ATOM 706 CA MET A 771 12.745 -6.364 21.214 1.00 60.45 C ATOM 707 C MET A 771 12.125 -7.616 20.607 1.00 64.20 C ATOM 708 O MET A 771 12.832 -8.581 20.294 1.00 65.37 O ATOM 709 CB MET A 771 14.267 -6.444 21.144 1.00 60.12 C ATOM 710 CG MET A 771 14.933 -5.086 21.143 1.00 64.76 C ATOM 711 SD MET A 771 14.646 -4.216 19.591 1.00 63.33 S ATOM 712 CE MET A 771 15.994 -3.040 19.612 1.00 63.58 C ATOM 713 H MET A 771 12.982 -6.304 23.364 1.00 0.00 H ATOM 714 N GLN A 772 10.806 -7.611 20.445 1.00 71.58 N ATOM 715 CA GLN A 772 10.118 -8.687 19.757 1.00 76.59 C ATOM 716 C GLN A 772 10.336 -8.551 18.251 1.00 73.88 C ATOM 717 O GLN A 772 10.707 -7.476 17.771 1.00 72.26 O ATOM 718 CB GLN A 772 8.631 -8.654 20.107 1.00 82.54 C ATOM 719 CG GLN A 772 8.337 -8.970 21.568 1.00 86.03 C ATOM 720 CD GLN A 772 8.962 -10.278 22.025 1.00 87.76 C ATOM 721 OE1 GLN A 772 8.858 -11.302 21.350 1.00 83.78 O ATOM 722 NE2 GLN A 772 9.621 -10.245 23.178 1.00 91.19 N ATOM 723 HE22 GLN A 772 9.684 -9.357 23.716 1.00 0.00 H ATOM 724 HE21 GLN A 772 10.074 -11.107 23.543 1.00 0.00 H ATOM 725 H GLN A 772 10.253 -6.815 20.821 1.00 0.00 H ATOM 726 N PRO A 773 10.133 -9.636 17.483 1.00 72.63 N ATOM 727 CA PRO A 773 10.533 -9.622 16.060 1.00 73.34 C ATOM 728 C PRO A 773 10.105 -8.387 15.279 1.00 67.93 C ATOM 729 O PRO A 773 10.868 -7.909 14.428 1.00 68.74 O ATOM 730 CB PRO A 773 9.863 -10.891 15.518 1.00 73.90 C ATOM 731 CG PRO A 773 9.910 -11.824 16.669 1.00 73.62 C ATOM 732 CD PRO A 773 9.666 -10.974 17.896 1.00 72.01 C ATOM 733 N GLU A 774 8.919 -7.843 15.554 1.00 63.21 N ATOM 734 CA GLU A 774 8.514 -6.602 14.904 1.00 63.95 C ATOM 735 C GLU A 774 9.463 -5.464 15.264 1.00 68.63 C ATOM 736 O GLU A 774 10.102 -4.874 14.387 1.00 74.75 O ATOM 737 CB GLU A 774 7.073 -6.251 15.278 1.00 68.73 C ATOM 738 CG GLU A 774 6.029 -7.145 14.631 1.00 75.88 C ATOM 739 CD GLU A 774 4.819 -6.366 14.145 1.00 80.97 C ATOM 740 OE1 GLU A 774 4.648 -5.200 14.565 1.00 81.15 O ATOM 741 OE2 GLU A 774 4.040 -6.918 13.339 1.00 82.73 O ATOM 742 H GLU A 774 8.281 -8.305 16.234 1.00 0.00 H ATOM 743 N GLU A 775 9.551 -5.129 16.556 1.00 60.45 N ATOM 744 CA GLU A 775 10.470 -4.085 17.008 1.00 55.34 C ATOM 745 C GLU A 775 11.903 -4.345 16.554 1.00 49.19 C ATOM 746 O GLU A 775 12.620 -3.412 16.168 1.00 45.71 O ATOM 747 CB GLU A 775 10.395 -3.948 18.529 1.00 55.17 C ATOM 748 CG GLU A 775 9.225 -3.089 18.988 1.00 59.39 C ATOM 749 CD GLU A 775 7.875 -3.746 18.763 1.00 62.84 C ATOM 750 OE1 GLU A 775 7.827 -4.987 18.620 1.00 64.96 O ATOM 751 OE2 GLU A 775 6.864 -3.015 18.699 1.00 62.08 O ATOM 752 H GLU A 775 8.955 -5.620 17.252 1.00 0.00 H ATOM 753 N GLN A 776 12.332 -5.608 16.577 1.00 48.88 N ATOM 754 CA GLN A 776 13.670 -5.939 16.100 1.00 51.11 C ATOM 755 C GLN A 776 13.836 -5.531 14.644 1.00 54.51 C ATOM 756 O GLN A 776 14.833 -4.893 14.273 1.00 56.92 O ATOM 757 CB GLN A 776 13.909 -7.442 16.265 1.00 41.42 C ATOM 758 CG GLN A 776 15.256 -7.963 15.797 1.00 30.42 C ATOM 759 CD GLN A 776 16.394 -7.543 16.696 1.00 39.19 C ATOM 760 OE1 GLN A 776 16.181 -7.047 17.806 1.00 42.98 O ATOM 761 NE2 GLN A 776 17.619 -7.763 16.232 1.00 40.70 N ATOM 762 HE22 GLN A 776 17.750 -8.183 15.290 1.00 0.00 H ATOM 763 HE21 GLN A 776 18.447 -7.515 16.811 1.00 0.00 H ATOM 764 H GLN A 776 11.710 -6.360 16.937 1.00 0.00 H ATOM 765 N LEU A 777 12.830 -5.825 13.820 1.00 55.61 N ATOM 766 CA LEU A 777 12.938 -5.530 12.400 1.00 58.50 C ATOM 767 C LEU A 777 12.818 -4.037 12.129 1.00 54.13 C ATOM 768 O LEU A 777 13.475 -3.520 11.216 1.00 56.92 O ATOM 769 CB LEU A 777 11.869 -6.307 11.633 1.00 65.12 C ATOM 770 CG LEU A 777 12.185 -6.626 10.178 1.00 70.12 C ATOM 771 CD1 LEU A 777 13.321 -7.614 10.111 1.00 73.75 C ATOM 772 CD2 LEU A 777 10.958 -7.186 9.492 1.00 73.76 C ATOM 773 H LEU A 777 11.966 -6.266 14.194 1.00 0.00 H ATOM 774 N LYS A 778 12.015 -3.327 12.924 1.00 47.12 N ATOM 775 CA LYS A 778 11.917 -1.879 12.777 1.00 48.42 C ATOM 776 C LYS A 778 13.241 -1.203 13.107 1.00 49.26 C ATOM 777 O LYS A 778 13.700 -0.328 12.366 1.00 49.34 O ATOM 778 CB LYS A 778 10.797 -1.321 13.654 1.00 50.07 C ATOM 779 CG LYS A 778 9.412 -1.832 13.318 1.00 51.26 C ATOM 780 CD LYS A 778 8.379 -0.750 13.593 1.00 56.18 C ATOM 781 CE LYS A 778 7.087 -1.331 14.145 1.00 63.21 C ATOM 782 NZ LYS A 778 6.058 -0.273 14.367 1.00 65.52 N ATOM 783 HZ1 LYS A 778 6.421 0.425 15.047 1.00 0.00 H ATOM 784 HZ2 LYS A 778 5.847 0.198 13.464 1.00 0.00 H ATOM 785 HZ3 LYS A 778 5.191 -0.708 14.744 1.00 0.00 H ATOM 786 H LYS A 778 11.454 -3.810 13.655 1.00 0.00 H ATOM 787 N CYS A 779 13.855 -1.571 14.235 1.00 44.01 N ATOM 788 CA CYS A 779 15.159 -1.008 14.579 1.00 46.51 C ATOM 789 C CYS A 779 16.203 -1.326 13.513 1.00 47.50 C ATOM 790 O CYS A 779 16.976 -0.448 13.109 1.00 48.94 O ATOM 791 CB CYS A 779 15.604 -1.503 15.954 1.00 54.06 C ATOM 792 SG CYS A 779 14.538 -0.921 17.288 1.00 57.73 S ATOM 793 H CYS A 779 13.404 -2.260 14.870 1.00 0.00 H ATOM 794 N GLU A 780 16.258 -2.585 13.058 1.00 48.16 N ATOM 795 CA GLU A 780 17.161 -2.925 11.957 1.00 47.21 C ATOM 796 C GLU A 780 16.920 -2.038 10.734 1.00 43.86 C ATOM 797 O GLU A 780 17.874 -1.589 10.082 1.00 37.26 O ATOM 798 CB GLU A 780 17.012 -4.406 11.594 1.00 41.71 C ATOM 799 CG GLU A 780 17.465 -5.358 12.701 1.00 47.50 C ATOM 800 CD GLU A 780 16.940 -6.779 12.537 1.00 52.48 C ATOM 801 OE1 GLU A 780 15.833 -6.954 11.985 1.00 50.98 O ATOM 802 OE2 GLU A 780 17.647 -7.724 12.952 1.00 50.13 O ATOM 803 H GLU A 780 15.660 -3.320 13.487 1.00 0.00 H ATOM 804 N PHE A 781 15.655 -1.728 10.441 1.00 43.91 N ATOM 805 CA PHE A 781 15.357 -0.890 9.284 1.00 41.73 C ATOM 806 C PHE A 781 15.765 0.560 9.524 1.00 46.90 C ATOM 807 O PHE A 781 16.253 1.230 8.610 1.00 48.39 O ATOM 808 CB PHE A 781 13.869 -0.990 8.947 1.00 41.82 C ATOM 809 CG PHE A 781 13.453 -0.166 7.763 1.00 40.91 C ATOM 810 CD1 PHE A 781 13.899 -0.480 6.490 1.00 39.18 C ATOM 811 CD2 PHE A 781 12.606 0.919 7.922 1.00 40.27 C ATOM 812 CE1 PHE A 781 13.514 0.278 5.400 1.00 39.65 C ATOM 813 CE2 PHE A 781 12.218 1.681 6.837 1.00 38.42 C ATOM 814 CZ PHE A 781 12.672 1.359 5.574 1.00 39.51 C ATOM 815 H PHE A 781 14.881 -2.084 11.038 1.00 0.00 H ATOM 816 N LEU A 782 15.582 1.054 10.750 1.00 46.22 N ATOM 817 CA LEU A 782 15.999 2.410 11.096 1.00 40.25 C ATOM 818 C LEU A 782 17.510 2.568 10.967 1.00 42.08 C ATOM 819 O LEU A 782 18.003 3.556 10.397 1.00 43.77 O ATOM 820 CB LEU A 782 15.518 2.724 12.514 1.00 42.32 C ATOM 821 CG LEU A 782 16.073 3.849 13.386 1.00 49.22 C ATOM 822 CD1 LEU A 782 15.948 5.192 12.704 1.00 50.61 C ATOM 823 CD2 LEU A 782 15.329 3.857 14.716 1.00 49.39 C ATOM 824 H LEU A 782 15.132 0.460 11.475 1.00 0.00 H ATOM 825 N LEU A 783 18.261 1.578 11.452 1.00 40.77 N ATOM 826 CA LEU A 783 19.711 1.648 11.348 1.00 39.05 C ATOM 827 C LEU A 783 20.154 1.530 9.896 1.00 36.05 C ATOM 828 O LEU A 783 21.114 2.192 9.482 1.00 33.66 O ATOM 829 CB LEU A 783 20.346 0.554 12.205 1.00 43.14 C ATOM 830 CG LEU A 783 21.864 0.405 12.125 1.00 44.51 C ATOM 831 CD1 LEU A 783 22.539 1.683 12.583 1.00 43.68 C ATOM 832 CD2 LEU A 783 22.323 -0.776 12.965 1.00 46.16 C ATOM 833 H LEU A 783 17.811 0.757 11.904 1.00 0.00 H ATOM 834 N LEU A 784 19.451 0.715 9.099 1.00 36.63 N ATOM 835 CA LEU A 784 19.761 0.648 7.674 1.00 32.79 C ATOM 836 C LEU A 784 19.490 1.984 6.992 1.00 34.82 C ATOM 837 O LEU A 784 20.259 2.413 6.122 1.00 28.26 O ATOM 838 CB LEU A 784 18.963 -0.475 7.005 1.00 30.57 C ATOM 839 CG LEU A 784 19.214 -0.720 5.508 1.00 29.15 C ATOM 840 CD1 LEU A 784 19.151 -2.207 5.177 1.00 27.63 C ATOM 841 CD2 LEU A 784 18.223 0.052 4.635 1.00 24.43 C ATOM 842 H LEU A 784 18.686 0.131 9.494 1.00 0.00 H ATOM 843 N LYS A 785 18.397 2.655 7.373 1.00 34.18 N ATOM 844 CA LYS A 785 18.096 3.965 6.807 1.00 31.43 C ATOM 845 C LYS A 785 19.184 4.964 7.156 1.00 30.57 C ATOM 846 O LYS A 785 19.476 5.869 6.365 1.00 33.48 O ATOM 847 CB LYS A 785 16.738 4.463 7.307 1.00 34.02 C ATOM 848 CG LYS A 785 15.535 3.755 6.695 1.00 42.46 C ATOM 849 CD LYS A 785 15.450 3.951 5.182 1.00 51.02 C ATOM 850 CE LYS A 785 15.161 5.400 4.820 1.00 55.06 C ATOM 851 NZ LYS A 785 14.977 5.572 3.352 1.00 58.17 N ATOM 852 HZ1 LYS A 785 15.843 5.276 2.858 1.00 0.00 H ATOM 853 HZ2 LYS A 785 14.178 4.988 3.033 1.00 0.00 H ATOM 854 HZ3 LYS A 785 14.782 6.572 3.143 1.00 0.00 H ATOM 855 H LYS A 785 17.757 2.239 8.079 1.00 0.00 H ATOM 856 N VAL A 786 19.798 4.815 8.331 1.00 29.44 N ATOM 857 CA VAL A 786 20.955 5.645 8.648 1.00 29.92 C ATOM 858 C VAL A 786 22.125 5.288 7.738 1.00 29.42 C ATOM 859 O VAL A 786 22.789 6.168 7.178 1.00 27.51 O ATOM 860 CB VAL A 786 21.336 5.509 10.132 1.00 32.18 C ATOM 861 CG1 VAL A 786 22.614 6.292 10.414 1.00 32.06 C ATOM 862 CG2 VAL A 786 20.194 5.987 11.022 1.00 32.11 C ATOM 863 H VAL A 786 19.454 4.112 9.016 1.00 0.00 H ATOM 864 N TYR A 787 22.388 3.987 7.566 1.00 32.28 N ATOM 865 CA TYR A 787 23.449 3.554 6.658 1.00 30.65 C ATOM 866 C TYR A 787 23.244 4.065 5.236 1.00 30.97 C ATOM 867 O TYR A 787 24.223 4.282 4.512 1.00 25.96 O ATOM 868 CB TYR A 787 23.556 2.030 6.654 1.00 29.10 C ATOM 869 CG TYR A 787 24.450 1.465 7.734 1.00 29.66 C ATOM 870 CD1 TYR A 787 25.830 1.466 7.583 1.00 24.24 C ATOM 871 CD2 TYR A 787 23.919 0.938 8.905 1.00 30.83 C ATOM 872 CE1 TYR A 787 26.657 0.948 8.563 1.00 30.58 C ATOM 873 CE2 TYR A 787 24.735 0.423 9.892 1.00 28.79 C ATOM 874 CZ TYR A 787 26.105 0.431 9.716 1.00 33.43 C ATOM 875 OH TYR A 787 26.925 -0.080 10.697 1.00 35.84 O ATOM 876 HH TYR A 787 27.870 0.003 10.412 1.00 0.00 H ATOM 877 H TYR A 787 21.832 3.277 8.084 1.00 0.00 H ATOM 878 N CYS A 788 21.997 4.295 4.824 1.00 33.75 N ATOM 879 CA CYS A 788 21.724 4.690 3.446 1.00 32.99 C ATOM 880 C CYS A 788 22.092 6.135 3.153 1.00 36.16 C ATOM 881 O CYS A 788 21.836 6.606 2.041 1.00 36.91 O ATOM 882 CB CYS A 788 20.246 4.467 3.108 1.00 33.06 C ATOM 883 SG CYS A 788 19.794 2.748 2.806 1.00 31.28 S ATOM 884 H CYS A 788 21.208 4.191 5.494 1.00 0.00 H ATOM 885 N ASP A 789 22.700 6.836 4.105 1.00 38.25 N ATOM 886 CA ASP A 789 23.169 8.198 3.908 1.00 35.88 C ATOM 887 C ASP A 789 24.692 8.199 3.889 1.00 42.21 C ATOM 888 O ASP A 789 25.331 7.483 4.669 1.00 49.30 O ATOM 889 CB ASP A 789 22.649 9.118 5.011 1.00 36.93 C ATOM 890 CG ASP A 789 22.703 10.578 4.621 1.00 40.73 C ATOM 891 OD1 ASP A 789 23.788 11.185 4.732 1.00 39.34 O ATOM 892 OD2 ASP A 789 21.655 11.117 4.205 1.00 41.53 O ATOM 893 H ASP A 789 22.847 6.390 5.033 1.00 0.00 H ATOM 894 N SER A 790 25.274 8.993 2.987 1.00 38.75 N ATOM 895 CA SER A 790 26.724 8.980 2.838 1.00 39.95 C ATOM 896 C SER A 790 27.422 9.515 4.079 1.00 43.92 C ATOM 897 O SER A 790 28.469 8.983 4.476 1.00 49.82 O ATOM 898 CB SER A 790 27.131 9.791 1.608 1.00 49.03 C ATOM 899 OG SER A 790 26.885 11.177 1.794 1.00 52.66 O ATOM 900 HG SER A 790 27.159 11.672 0.981 1.00 0.00 H ATOM 901 H SER A 790 24.694 9.619 2.392 1.00 0.00 H ATOM 902 N LYS A 791 26.823 10.506 4.749 1.00 43.65 N ATOM 903 CA LYS A 791 27.481 11.118 5.897 1.00 45.84 C ATOM 904 C LYS A 791 27.722 10.103 7.003 1.00 47.30 C ATOM 905 O LYS A 791 28.707 10.220 7.748 1.00 49.71 O ATOM 906 CB LYS A 791 26.632 12.278 6.428 1.00 43.12 C ATOM 907 CG LYS A 791 26.116 13.242 5.359 1.00 37.47 C ATOM 908 CD LYS A 791 25.134 14.242 5.963 1.00 33.02 C ATOM 909 CE LYS A 791 24.115 14.755 4.954 1.00 31.60 C ATOM 910 NZ LYS A 791 23.112 13.734 4.545 1.00 31.84 N ATOM 911 HZ1 LYS A 791 23.600 12.925 4.109 1.00 0.00 H ATOM 912 HZ2 LYS A 791 22.585 13.413 5.382 1.00 0.00 H ATOM 913 HZ3 LYS A 791 22.453 14.153 3.859 1.00 0.00 H ATOM 914 H LYS A 791 25.885 10.841 4.450 1.00 0.00 H ATOM 915 N SER A 792 26.900 9.053 7.055 1.00 44.30 N ATOM 916 CA SER A 792 27.010 8.063 8.113 1.00 51.84 C ATOM 917 C SER A 792 28.327 7.314 8.047 1.00 54.41 C ATOM 918 O SER A 792 28.728 6.706 9.047 1.00 58.36 O ATOM 919 CB SER A 792 25.854 7.063 8.036 1.00 54.22 C ATOM 920 OG SER A 792 25.870 6.353 6.808 1.00 49.72 O ATOM 921 HG SER A 792 25.785 6.993 6.057 1.00 0.00 H ATOM 922 H SER A 792 26.168 8.941 6.325 1.00 0.00 H ATOM 923 N SER A 793 29.020 7.365 6.906 1.00 50.08 N ATOM 924 CA SER A 793 30.306 6.690 6.827 1.00 53.07 C ATOM 925 C SER A 793 31.294 7.252 7.834 1.00 48.80 C ATOM 926 O SER A 793 32.236 6.551 8.218 1.00 47.58 O ATOM 927 CB SER A 793 30.892 6.803 5.419 1.00 63.61 C ATOM 928 OG SER A 793 31.190 8.150 5.102 1.00 70.27 O ATOM 929 HG SER A 793 30.361 8.689 5.146 1.00 0.00 H ATOM 930 H SER A 793 28.645 7.881 6.085 1.00 0.00 H ATOM 931 N PHE A 794 31.095 8.499 8.275 1.00 51.96 N ATOM 932 CA PHE A 794 31.995 9.072 9.271 1.00 51.37 C ATOM 933 C PHE A 794 31.873 8.366 10.618 1.00 46.12 C ATOM 934 O PHE A 794 32.842 8.333 11.386 1.00 46.85 O ATOM 935 CB PHE A 794 31.721 10.571 9.418 1.00 57.11 C ATOM 936 CG PHE A 794 32.667 11.276 10.351 1.00 62.61 C ATOM 937 CD1 PHE A 794 33.910 11.694 9.903 1.00 67.64 C ATOM 938 CD2 PHE A 794 32.310 11.541 11.664 1.00 63.62 C ATOM 939 CE1 PHE A 794 34.785 12.353 10.750 1.00 69.84 C ATOM 940 CE2 PHE A 794 33.182 12.199 12.516 1.00 64.16 C ATOM 941 CZ PHE A 794 34.420 12.605 12.057 1.00 67.09 C ATOM 942 H PHE A 794 30.300 9.060 7.908 1.00 0.00 H ATOM 943 N PHE A 795 30.701 7.808 10.926 1.00 41.68 N ATOM 944 CA PHE A 795 30.444 7.194 12.224 1.00 39.88 C ATOM 945 C PHE A 795 30.400 5.669 12.180 1.00 44.46 C ATOM 946 O PHE A 795 29.937 5.046 13.142 1.00 46.86 O ATOM 947 CB PHE A 795 29.144 7.748 12.808 1.00 33.60 C ATOM 948 CG PHE A 795 29.063 9.248 12.779 1.00 35.21 C ATOM 949 CD1 PHE A 795 29.568 9.998 13.828 1.00 38.36 C ATOM 950 CD2 PHE A 795 28.491 9.910 11.705 1.00 39.23 C ATOM 951 CE1 PHE A 795 29.500 11.376 13.812 1.00 41.09 C ATOM 952 CE2 PHE A 795 28.423 11.291 11.681 1.00 41.67 C ATOM 953 CZ PHE A 795 28.929 12.023 12.738 1.00 44.35 C ATOM 954 H PHE A 795 29.943 7.811 10.214 1.00 0.00 H ATOM 955 N ALA A 796 30.859 5.049 11.091 1.00 45.19 N ATOM 956 CA ALA A 796 30.690 3.606 10.933 1.00 46.45 C ATOM 957 C ALA A 796 31.780 2.817 11.655 1.00 43.05 C ATOM 958 O ALA A 796 31.480 1.935 12.467 1.00 39.58 O ATOM 959 CB ALA A 796 30.659 3.244 9.447 1.00 45.50 C ATOM 960 H ALA A 796 31.340 5.597 10.349 1.00 0.00 H ATOM 961 N SER A 797 33.044 3.106 11.361 1.00 49.81 N ATOM 962 CA SER A 797 34.163 2.382 11.942 1.00 58.47 C ATOM 963 C SER A 797 34.484 2.913 13.339 1.00 69.36 C ATOM 964 O SER A 797 34.024 3.982 13.750 1.00 69.51 O ATOM 965 CB SER A 797 35.391 2.483 11.041 1.00 61.94 C ATOM 966 OG SER A 797 35.097 2.039 9.728 1.00 68.49 O ATOM 967 HG SER A 797 35.908 2.115 9.166 1.00 0.00 H ATOM 968 H SER A 797 33.239 3.878 10.692 1.00 0.00 H ATOM 969 N GLU A 798 35.286 2.145 14.073 1.00 77.35 N ATOM 970 CA GLU A 798 35.704 2.564 15.405 1.00 79.89 C ATOM 971 C GLU A 798 36.501 3.862 15.306 1.00 79.54 C ATOM 972 O GLU A 798 37.459 3.938 14.523 1.00 78.03 O ATOM 973 CB GLU A 798 36.534 1.469 16.078 1.00 85.28 C ATOM 974 CG GLU A 798 36.975 1.808 17.497 1.00 89.33 C ATOM 975 CD GLU A 798 37.652 0.644 18.200 1.00 90.01 C ATOM 976 OE1 GLU A 798 37.843 -0.413 17.562 1.00 91.85 O ATOM 977 OE2 GLU A 798 37.984 0.783 19.396 1.00 87.06 O ATOM 978 H GLU A 798 35.618 1.236 13.692 1.00 0.00 H ATOM 979 N PRO A 799 36.135 4.902 16.069 1.00 80.15 N ATOM 980 CA PRO A 799 36.794 6.211 15.931 1.00 86.33 C ATOM 981 C PRO A 799 38.284 6.235 16.247 1.00 97.09 C ATOM 982 O PRO A 799 38.918 5.198 16.469 1.00 99.95 O ATOM 983 CB PRO A 799 36.010 7.100 16.906 1.00 81.44 C ATOM 984 CG PRO A 799 34.704 6.404 17.102 1.00 79.02 C ATOM 985 CD PRO A 799 35.000 4.946 17.003 1.00 79.18 C ATOM 986 N TYR A 800 38.840 7.449 16.295 1.00107.32 N ATOM 987 CA TYR A 800 40.273 7.662 16.154 1.00110.98 C ATOM 988 C TYR A 800 40.975 8.112 17.428 1.00110.62 C ATOM 989 O TYR A 800 42.198 7.970 17.512 1.00113.99 O ATOM 990 CB TYR A 800 40.537 8.696 15.047 1.00119.76 C ATOM 991 CG TYR A 800 39.866 8.353 13.731 1.00126.60 C ATOM 992 CD1 TYR A 800 40.576 7.745 12.704 1.00128.85 C ATOM 993 CD2 TYR A 800 38.518 8.625 13.522 1.00129.38 C ATOM 994 CE1 TYR A 800 39.965 7.423 11.505 1.00129.97 C ATOM 995 CE2 TYR A 800 37.898 8.304 12.329 1.00130.36 C ATOM 996 CZ TYR A 800 38.626 7.705 11.325 1.00130.54 C ATOM 997 OH TYR A 800 38.010 7.386 10.137 1.00130.54 O ATOM 998 HH TYR A 800 38.668 6.966 9.528 1.00 0.00 H ATOM 999 H TYR A 800 38.224 8.275 16.439 1.00 0.00 H ATOM 1000 N TYR A 801 40.252 8.648 18.407 1.00103.10 N ATOM 1001 CA TYR A 801 40.876 9.049 19.669 1.00 95.09 C ATOM 1002 C TYR A 801 41.163 7.841 20.557 1.00 93.33 C ATOM 1003 O TYR A 801 40.476 6.822 20.483 1.00 90.39 O ATOM 1004 CB TYR A 801 40.002 10.057 20.426 1.00 90.50 C ATOM 1005 CG TYR A 801 38.508 9.868 20.260 1.00 87.44 C ATOM 1006 CD1 TYR A 801 37.699 10.928 19.869 1.00 85.24 C ATOM 1007 CD2 TYR A 801 37.906 8.637 20.493 1.00 88.52 C ATOM 1008 CE1 TYR A 801 36.334 10.769 19.715 1.00 84.83 C ATOM 1009 CE2 TYR A 801 36.541 8.468 20.337 1.00 88.01 C ATOM 1010 CZ TYR A 801 35.761 9.538 19.950 1.00 86.03 C ATOM 1011 OH TYR A 801 34.403 9.379 19.795 1.00 85.10 O ATOM 1012 HH TYR A 801 34.001 10.240 19.516 1.00 0.00 H ATOM 1013 H TYR A 801 39.230 8.784 18.274 1.00 0.00 H TER 1014 TYR A 801 ATOM 1015 N GLY A 808 39.610 10.124 24.283 1.00105.40 N ATOM 1016 CA GLY A 808 38.938 8.948 24.804 1.00110.40 C ATOM 1017 C GLY A 808 37.700 9.273 25.618 1.00117.44 C ATOM 1018 O GLY A 808 37.798 9.869 26.691 1.00120.36 O ATOM 1019 HN3 GLY A 808 39.906 10.732 25.074 1.00 0.00 H ATOM 1020 HN2 GLY A 808 38.958 10.649 23.666 1.00 0.00 H ATOM 1021 HN1 GLY A 808 40.446 9.831 23.738 1.00 0.00 H ATOM 1022 N PRO A 809 36.535 8.894 25.110 1.00123.71 N ATOM 1023 CA PRO A 809 35.279 9.134 25.826 1.00125.76 C ATOM 1024 C PRO A 809 35.040 8.057 26.880 1.00127.76 C ATOM 1025 O PRO A 809 35.808 7.108 27.022 1.00130.69 O ATOM 1026 CB PRO A 809 34.219 9.081 24.717 1.00127.98 C ATOM 1027 CG PRO A 809 34.955 8.665 23.446 1.00127.49 C ATOM 1028 CD PRO A 809 36.307 8.177 23.848 1.00126.16 C ATOM 1029 N GLN A 810 33.946 8.224 27.627 1.00124.00 N ATOM 1030 CA GLN A 810 33.611 7.255 28.666 1.00120.39 C ATOM 1031 C GLN A 810 33.155 5.933 28.061 1.00111.42 C ATOM 1032 O GLN A 810 33.500 4.859 28.569 1.00112.62 O ATOM 1033 CB GLN A 810 32.523 7.819 29.580 1.00126.42 C ATOM 1034 CG GLN A 810 32.008 6.832 30.618 1.00132.29 C ATOM 1035 CD GLN A 810 30.935 7.430 31.508 1.00137.31 C ATOM 1036 OE1 GLN A 810 30.068 8.170 31.042 1.00137.69 O ATOM 1037 NE2 GLN A 810 30.983 7.106 32.796 1.00139.46 N ATOM 1038 HE22 GLN A 810 31.734 6.477 33.146 1.00 0.00 H ATOM 1039 HE21 GLN A 810 30.270 7.481 33.454 1.00 0.00 H ATOM 1040 H GLN A 810 33.331 9.047 27.468 1.00 0.00 H ATOM 1041 N LYS A 811 32.389 5.990 26.975 1.00 92.89 N ATOM 1042 CA LYS A 811 31.934 4.787 26.280 1.00 75.89 C ATOM 1043 C LYS A 811 31.849 5.099 24.795 1.00 70.04 C ATOM 1044 O LYS A 811 30.843 5.653 24.323 1.00 66.65 O ATOM 1045 CB LYS A 811 30.589 4.303 26.816 1.00 67.21 C ATOM 1046 CG LYS A 811 30.095 3.007 26.194 1.00 62.24 C ATOM 1047 CD LYS A 811 28.744 2.607 26.764 1.00 57.86 C ATOM 1048 CE LYS A 811 28.103 1.501 25.943 1.00 60.02 C ATOM 1049 NZ LYS A 811 26.660 1.342 26.271 1.00 60.98 N ATOM 1050 HZ1 LYS A 811 26.559 1.105 27.279 1.00 0.00 H ATOM 1051 HZ2 LYS A 811 26.160 2.232 26.071 1.00 0.00 H ATOM 1052 HZ3 LYS A 811 26.256 0.579 25.692 1.00 0.00 H ATOM 1053 H LYS A 811 32.105 6.921 26.608 1.00 0.00 H ATOM 1054 N PRO A 812 32.888 4.778 24.025 1.00 67.20 N ATOM 1055 CA PRO A 812 32.802 4.941 22.571 1.00 63.49 C ATOM 1056 C PRO A 812 31.721 4.055 21.969 1.00 60.38 C ATOM 1057 O PRO A 812 31.349 3.014 22.516 1.00 58.07 O ATOM 1058 CB PRO A 812 34.197 4.536 22.084 1.00 64.45 C ATOM 1059 CG PRO A 812 34.701 3.602 23.131 1.00 65.61 C ATOM 1060 CD PRO A 812 34.123 4.087 24.436 1.00 67.86 C ATOM 1061 N MET A 813 31.221 4.483 20.813 1.00 56.15 N ATOM 1062 CA MET A 813 30.181 3.748 20.109 1.00 48.94 C ATOM 1063 C MET A 813 30.164 4.201 18.658 1.00 50.33 C ATOM 1064 O MET A 813 30.266 5.397 18.374 1.00 50.32 O ATOM 1065 CB MET A 813 28.807 3.963 20.756 1.00 43.20 C ATOM 1066 CG MET A 813 27.684 3.205 20.077 1.00 46.69 C ATOM 1067 SD MET A 813 27.923 1.422 20.168 1.00 53.10 S ATOM 1068 CE MET A 813 28.013 1.176 21.942 1.00 47.42 C ATOM 1069 H MET A 813 31.583 5.367 20.401 1.00 0.00 H ATOM 1070 N TRP A 814 30.030 3.241 17.749 1.00 54.81 N ATOM 1071 CA TRP A 814 30.017 3.516 16.323 1.00 48.56 C ATOM 1072 C TRP A 814 28.951 2.650 15.672 1.00 50.09 C ATOM 1073 O TRP A 814 28.347 1.782 16.309 1.00 54.11 O ATOM 1074 CB TRP A 814 31.398 3.284 15.691 1.00 48.26 C ATOM 1075 CG TRP A 814 32.026 1.968 16.049 1.00 59.02 C ATOM 1076 CD1 TRP A 814 31.992 0.815 15.318 1.00 62.43 C ATOM 1077 CD2 TRP A 814 32.776 1.668 17.234 1.00 66.14 C ATOM 1078 NE1 TRP A 814 32.676 -0.181 15.973 1.00 65.04 N ATOM 1079 CE2 TRP A 814 33.167 0.317 17.151 1.00 67.52 C ATOM 1080 CE3 TRP A 814 33.154 2.411 18.358 1.00 67.35 C ATOM 1081 CZ2 TRP A 814 33.918 -0.306 18.147 1.00 69.33 C ATOM 1082 CZ3 TRP A 814 33.901 1.791 19.345 1.00 66.39 C ATOM 1083 CH2 TRP A 814 34.273 0.446 19.233 1.00 67.73 C ATOM 1084 HE1 TRP A 814 32.801 -1.155 15.630 1.00 0.00 H ATOM 1085 H TRP A 814 29.931 2.257 18.070 1.00 0.00 H ATOM 1086 N LEU A 815 28.719 2.901 14.385 1.00 52.80 N ATOM 1087 CA LEU A 815 27.574 2.306 13.706 1.00 48.44 C ATOM 1088 C LEU A 815 27.733 0.795 13.575 1.00 48.16 C ATOM 1089 O LEU A 815 26.795 0.038 13.853 1.00 45.66 O ATOM 1090 CB LEU A 815 27.399 2.956 12.333 1.00 45.81 C ATOM 1091 CG LEU A 815 26.634 4.284 12.301 1.00 44.18 C ATOM 1092 CD1 LEU A 815 26.622 4.868 10.898 1.00 40.84 C ATOM 1093 CD2 LEU A 815 25.214 4.115 12.820 1.00 41.43 C ATOM 1094 H LEU A 815 29.361 3.528 13.859 1.00 0.00 H ATOM 1095 N ASN A 816 28.912 0.340 13.139 1.00 49.37 N ATOM 1096 CA ASN A 816 29.148 -1.091 12.976 1.00 45.33 C ATOM 1097 C ASN A 816 28.955 -1.860 14.279 1.00 51.33 C ATOM 1098 O ASN A 816 28.536 -3.023 14.248 1.00 55.05 O ATOM 1099 CB ASN A 816 30.545 -1.335 12.406 1.00 39.46 C ATOM 1100 CG ASN A 816 30.701 -0.794 10.991 1.00 36.09 C ATOM 1101 OD1 ASN A 816 29.745 -0.775 10.218 1.00 34.66 O ATOM 1102 ND2 ASN A 816 31.909 -0.363 10.646 1.00 32.20 N ATOM 1103 HD22 ASN A 816 32.689 -0.398 11.333 1.00 0.00 H ATOM 1104 HD21 ASN A 816 32.075 0.009 9.689 1.00 0.00 H ATOM 1105 H ASN A 816 29.671 1.014 12.913 1.00 0.00 H ATOM 1106 N LYS A 817 29.249 -1.245 15.430 1.00 52.10 N ATOM 1107 CA LYS A 817 29.097 -1.972 16.688 1.00 50.07 C ATOM 1108 C LYS A 817 27.633 -2.106 17.079 1.00 49.08 C ATOM 1109 O LYS A 817 27.240 -3.117 17.672 1.00 55.01 O ATOM 1110 CB LYS A 817 29.882 -1.273 17.806 1.00 55.14 C ATOM 1111 CG LYS A 817 29.732 -1.923 19.185 1.00 55.29 C ATOM 1112 CD LYS A 817 30.578 -1.221 20.241 1.00 59.54 C ATOM 1113 CE LYS A 817 30.543 -1.960 21.582 1.00 61.40 C ATOM 1114 NZ LYS A 817 29.212 -1.940 22.251 1.00 58.66 N ATOM 1115 HZ1 LYS A 817 28.933 -0.955 22.435 1.00 0.00 H ATOM 1116 HZ2 LYS A 817 28.508 -2.391 21.633 1.00 0.00 H ATOM 1117 HZ3 LYS A 817 29.269 -2.459 23.150 1.00 0.00 H ATOM 1118 H LYS A 817 29.582 -0.260 15.429 1.00 0.00 H ATOM 1119 N VAL A 818 26.807 -1.124 16.713 1.00 47.51 N ATOM 1120 CA VAL A 818 25.369 -1.252 16.920 1.00 44.14 C ATOM 1121 C VAL A 818 24.789 -2.270 15.948 1.00 48.22 C ATOM 1122 O VAL A 818 23.876 -3.030 16.293 1.00 48.35 O ATOM 1123 CB VAL A 818 24.686 0.120 16.782 1.00 35.35 C ATOM 1124 CG1 VAL A 818 23.180 0.001 16.969 1.00 27.83 C ATOM 1125 CG2 VAL A 818 25.269 1.092 17.789 1.00 32.52 C ATOM 1126 H VAL A 818 27.191 -0.261 16.277 1.00 0.00 H ATOM 1127 N LYS A 819 25.307 -2.299 14.718 1.00 48.16 N ATOM 1128 CA LYS A 819 24.959 -3.363 13.783 1.00 50.97 C ATOM 1129 C LYS A 819 25.272 -4.737 14.367 1.00 59.67 C ATOM 1130 O LYS A 819 24.462 -5.665 14.266 1.00 65.45 O ATOM 1131 CB LYS A 819 25.690 -3.160 12.456 1.00 51.44 C ATOM 1132 CG LYS A 819 25.378 -4.226 11.426 1.00 48.08 C ATOM 1133 CD LYS A 819 26.255 -4.101 10.195 1.00 48.24 C ATOM 1134 CE LYS A 819 25.573 -3.278 9.115 1.00 43.49 C ATOM 1135 NZ LYS A 819 26.502 -2.957 7.998 1.00 36.90 N ATOM 1136 HZ1 LYS A 819 27.308 -2.412 8.365 1.00 0.00 H ATOM 1137 HZ2 LYS A 819 26.845 -3.840 7.569 1.00 0.00 H ATOM 1138 HZ3 LYS A 819 26.000 -2.395 7.282 1.00 0.00 H ATOM 1139 H LYS A 819 25.968 -1.552 14.422 1.00 0.00 H ATOM 1140 N THR A 820 26.456 -4.891 14.966 1.00 60.37 N ATOM 1141 CA THR A 820 26.848 -6.184 15.518 1.00 57.47 C ATOM 1142 C THR A 820 25.979 -6.564 16.711 1.00 56.64 C ATOM 1143 O THR A 820 25.475 -7.691 16.790 1.00 57.92 O ATOM 1144 CB THR A 820 28.324 -6.158 15.919 1.00 57.07 C ATOM 1145 OG1 THR A 820 29.123 -5.758 14.796 1.00 56.86 O ATOM 1146 CG2 THR A 820 28.773 -7.539 16.378 1.00 58.75 C ATOM 1147 HG1 THR A 820 28.846 -4.854 14.501 1.00 0.00 H ATOM 1148 H THR A 820 27.105 -4.082 15.040 1.00 0.00 H ATOM 1149 N SER A 821 25.794 -5.637 17.654 1.00 56.38 N ATOM 1150 CA SER A 821 24.990 -5.937 18.835 1.00 54.40 C ATOM 1151 C SER A 821 23.543 -6.237 18.462 1.00 60.27 C ATOM 1152 O SER A 821 22.938 -7.175 18.994 1.00 62.06 O ATOM 1153 CB SER A 821 25.062 -4.772 19.822 1.00 46.38 C ATOM 1154 OG SER A 821 26.395 -4.558 20.255 1.00 44.67 O ATOM 1155 HG SER A 821 26.965 -4.349 19.473 1.00 0.00 H ATOM 1156 H SER A 821 26.225 -4.697 17.547 1.00 0.00 H ATOM 1157 N LEU A 822 22.975 -5.459 17.541 1.00 65.43 N ATOM 1158 CA LEU A 822 21.607 -5.709 17.099 1.00 64.42 C ATOM 1159 C LEU A 822 21.505 -7.019 16.328 1.00 69.76 C ATOM 1160 O LEU A 822 20.481 -7.706 16.408 1.00 61.34 O ATOM 1161 CB LEU A 822 21.114 -4.536 16.248 1.00 51.48 C ATOM 1162 CG LEU A 822 19.653 -4.563 15.799 1.00 43.43 C ATOM 1163 CD1 LEU A 822 18.727 -4.767 16.985 1.00 43.59 C ATOM 1164 CD2 LEU A 822 19.300 -3.283 15.063 1.00 44.45 C ATOM 1165 H LEU A 822 23.512 -4.667 17.134 1.00 0.00 H ATOM 1166 N ASN A 823 22.556 -7.378 15.587 1.00 88.85 N ATOM 1167 CA ASN A 823 22.562 -8.635 14.846 1.00 93.15 C ATOM 1168 C ASN A 823 22.527 -9.819 15.801 1.00 91.73 C ATOM 1169 O ASN A 823 21.763 -10.772 15.603 1.00 89.06 O ATOM 1170 CB ASN A 823 23.795 -8.697 13.940 1.00100.83 C ATOM 1171 CG ASN A 823 24.029 -10.077 13.354 1.00106.47 C ATOM 1172 OD1 ASN A 823 23.499 -10.415 12.294 1.00107.36 O ATOM 1173 ND2 ASN A 823 24.832 -10.882 14.041 1.00108.47 N ATOM 1174 HD22 ASN A 823 25.258 -10.555 14.932 1.00 0.00 H ATOM 1175 HD21 ASN A 823 25.035 -11.839 13.688 1.00 0.00 H ATOM 1176 H ASN A 823 23.384 -6.751 15.537 1.00 0.00 H ATOM 1177 N GLU A 824 23.351 -9.774 16.842 1.00 83.00 N ATOM 1178 CA GLU A 824 23.400 -10.798 17.873 1.00 73.64 C ATOM 1179 C GLU A 824 22.292 -10.640 18.907 1.00 72.80 C ATOM 1180 O GLU A 824 22.322 -11.327 19.935 1.00 72.66 O ATOM 1181 CB GLU A 824 24.766 -10.763 18.561 1.00 68.88 C ATOM 1182 CG GLU A 824 25.925 -11.099 17.640 1.00 62.44 C ATOM 1183 CD GLU A 824 27.259 -10.686 18.228 1.00 64.77 C ATOM 1184 OE1 GLU A 824 27.300 -10.332 19.427 1.00 61.91 O ATOM 1185 OE2 GLU A 824 28.267 -10.713 17.489 1.00 65.62 O ATOM 1186 H GLU A 824 23.996 -8.962 16.924 1.00 0.00 H ATOM 1187 N GLN A 825 21.327 -9.758 18.647 1.00 73.49 N ATOM 1188 CA GLN A 825 20.201 -9.499 19.543 1.00 74.85 C ATOM 1189 C GLN A 825 20.677 -9.229 20.970 1.00 78.44 C ATOM 1190 O GLN A 825 20.190 -9.817 21.938 1.00 80.33 O ATOM 1191 CB GLN A 825 19.210 -10.664 19.504 1.00 77.72 C ATOM 1192 CG GLN A 825 18.672 -10.953 18.109 1.00 83.23 C ATOM 1193 CD GLN A 825 17.717 -12.131 18.072 1.00 86.28 C ATOM 1194 OE1 GLN A 825 17.116 -12.495 19.083 1.00 94.63 O ATOM 1195 NE2 GLN A 825 17.576 -12.738 16.900 1.00 80.73 N ATOM 1196 HE22 GLN A 825 18.103 -12.397 16.071 1.00 0.00 H ATOM 1197 HE21 GLN A 825 16.938 -13.555 16.811 1.00 0.00 H ATOM 1198 H GLN A 825 21.378 -9.224 17.756 1.00 0.00 H ATOM 1199 N MET A 826 21.644 -8.321 21.095 1.00 77.09 N ATOM 1200 CA MET A 826 22.148 -7.908 22.399 1.00 71.88 C ATOM 1201 C MET A 826 21.280 -6.850 23.071 1.00 63.37 C ATOM 1202 O MET A 826 21.636 -6.382 24.157 1.00 63.43 O ATOM 1203 CB MET A 826 23.582 -7.385 22.266 1.00 76.95 C ATOM 1204 CG MET A 826 24.544 -8.374 21.623 1.00 89.04 C ATOM 1205 SD MET A 826 24.770 -9.896 22.567 1.00 99.95 S ATOM 1206 CE MET A 826 25.443 -9.252 24.098 1.00101.12 C ATOM 1207 H MET A 826 22.051 -7.895 20.238 1.00 0.00 H ATOM 1208 N TYR A 827 20.155 -6.473 22.468 1.00 60.27 N ATOM 1209 CA TYR A 827 19.227 -5.509 23.046 1.00 64.25 C ATOM 1210 C TYR A 827 17.927 -6.204 23.421 1.00 63.60 C ATOM 1211 O TYR A 827 17.303 -6.858 22.579 1.00 65.15 O ATOM 1212 CB TYR A 827 18.943 -4.358 22.078 1.00 65.40 C ATOM 1213 CG TYR A 827 20.174 -3.617 21.615 1.00 65.09 C ATOM 1214 CD1 TYR A 827 20.809 -2.704 22.445 1.00 64.50 C ATOM 1215 CD2 TYR A 827 20.693 -3.819 20.344 1.00 68.82 C ATOM 1216 CE1 TYR A 827 21.932 -2.019 22.025 1.00 67.36 C ATOM 1217 CE2 TYR A 827 21.816 -3.138 19.915 1.00 69.10 C ATOM 1218 CZ TYR A 827 22.431 -2.240 20.759 1.00 67.61 C ATOM 1219 OH TYR A 827 23.549 -1.562 20.334 1.00 67.32 O ATOM 1220 HH TYR A 827 23.864 -0.962 21.056 1.00 0.00 H ATOM 1221 H TYR A 827 19.927 -6.886 21.541 1.00 0.00 H ATOM 1222 N THR A 828 17.519 -6.051 24.681 1.00 59.25 N ATOM 1223 CA THR A 828 16.264 -6.627 25.145 1.00 63.15 C ATOM 1224 C THR A 828 15.080 -5.700 24.914 1.00 63.58 C ATOM 1225 O THR A 828 13.959 -6.179 24.714 1.00 65.38 O ATOM 1226 CB THR A 828 16.351 -6.981 26.636 1.00 65.95 C ATOM 1227 OG1 THR A 828 16.539 -5.789 27.411 1.00 65.19 O ATOM 1228 CG2 THR A 828 17.508 -7.936 26.894 1.00 63.94 C ATOM 1229 HG1 THR A 828 17.378 -5.344 27.131 1.00 0.00 H ATOM 1230 H THR A 828 18.108 -5.510 25.346 1.00 0.00 H ATOM 1231 N ARG A 829 15.298 -4.389 24.929 1.00 61.47 N ATOM 1232 CA ARG A 829 14.255 -3.427 24.611 1.00 62.37 C ATOM 1233 C ARG A 829 14.781 -2.439 23.577 1.00 61.52 C ATOM 1234 O ARG A 829 15.982 -2.366 23.305 1.00 60.26 O ATOM 1235 CB ARG A 829 13.753 -2.705 25.871 1.00 68.10 C ATOM 1236 CG ARG A 829 12.820 -3.569 26.712 1.00 76.88 C ATOM 1237 CD ARG A 829 12.545 -3.003 28.100 1.00 82.43 C ATOM 1238 NE ARG A 829 12.197 -4.075 29.033 1.00 86.06 N ATOM 1239 CZ ARG A 829 10.970 -4.559 29.203 1.00 86.66 C ATOM 1240 NH1 ARG A 829 10.759 -5.542 30.069 1.00 87.08 N ATOM 1241 NH2 ARG A 829 9.952 -4.063 28.513 1.00 86.35 N ATOM 1242 HE ARG A 829 12.963 -4.487 29.603 1.00 0.00 H ATOM 1243 HH12 ARG A 829 9.800 -5.921 30.202 1.00 0.00 H ATOM 1244 HH11 ARG A 829 11.553 -5.934 30.615 1.00 0.00 H ATOM 1245 HH22 ARG A 829 8.995 -4.446 28.651 1.00 0.00 H ATOM 1246 HH21 ARG A 829 10.111 -3.291 27.834 1.00 0.00 H ATOM 1247 H ARG A 829 16.246 -4.040 25.176 1.00 0.00 H ATOM 1248 N VAL A 830 13.850 -1.687 22.984 1.00 61.49 N ATOM 1249 CA VAL A 830 14.204 -0.697 21.970 1.00 59.97 C ATOM 1250 C VAL A 830 15.132 0.364 22.549 1.00 60.69 C ATOM 1251 O VAL A 830 16.014 0.888 21.849 1.00 63.76 O ATOM 1252 CB VAL A 830 12.921 -0.073 21.381 1.00 58.69 C ATOM 1253 CG1 VAL A 830 13.255 0.845 20.219 1.00 53.55 C ATOM 1254 CG2 VAL A 830 11.949 -1.162 20.947 1.00 60.86 C ATOM 1255 H VAL A 830 12.852 -1.809 23.250 1.00 0.00 H ATOM 1256 N GLU A 831 14.952 0.694 23.832 1.00 55.90 N ATOM 1257 CA GLU A 831 15.736 1.747 24.470 1.00 54.69 C ATOM 1258 C GLU A 831 17.238 1.491 24.380 1.00 49.26 C ATOM 1259 O GLU A 831 18.022 2.444 24.362 1.00 52.16 O ATOM 1260 CB GLU A 831 15.312 1.906 25.930 1.00 59.82 C ATOM 1261 CG GLU A 831 15.672 0.738 26.830 1.00 62.27 C ATOM 1262 CD GLU A 831 16.122 1.199 28.201 1.00 64.00 C ATOM 1263 OE1 GLU A 831 16.295 2.424 28.382 1.00 59.60 O ATOM 1264 OE2 GLU A 831 16.305 0.343 29.093 1.00 66.63 O ATOM 1265 H GLU A 831 14.235 0.187 24.390 1.00 0.00 H ATOM 1266 N GLY A 832 17.666 0.228 24.359 1.00 39.84 N ATOM 1267 CA GLY A 832 19.089 -0.046 24.220 1.00 41.41 C ATOM 1268 C GLY A 832 19.632 0.408 22.880 1.00 46.95 C ATOM 1269 O GLY A 832 20.690 1.047 22.803 1.00 54.27 O ATOM 1270 H GLY A 832 16.988 -0.556 24.441 1.00 0.00 H ATOM 1271 N PHE A 833 18.895 0.117 21.807 1.00 43.94 N ATOM 1272 CA PHE A 833 19.350 0.491 20.475 1.00 44.26 C ATOM 1273 C PHE A 833 19.289 2.002 20.305 1.00 43.42 C ATOM 1274 O PHE A 833 20.275 2.637 19.902 1.00 44.49 O ATOM 1275 CB PHE A 833 18.491 -0.217 19.424 1.00 42.50 C ATOM 1276 CG PHE A 833 18.564 0.395 18.054 1.00 37.36 C ATOM 1277 CD1 PHE A 833 19.666 0.189 17.240 1.00 37.50 C ATOM 1278 CD2 PHE A 833 17.529 1.184 17.582 1.00 32.79 C ATOM 1279 CE1 PHE A 833 19.729 0.754 15.977 1.00 39.50 C ATOM 1280 CE2 PHE A 833 17.588 1.754 16.324 1.00 38.62 C ATOM 1281 CZ PHE A 833 18.688 1.540 15.520 1.00 38.83 C ATOM 1282 H PHE A 833 17.989 -0.380 21.922 1.00 0.00 H ATOM 1283 N VAL A 834 18.151 2.602 20.669 1.00 42.72 N ATOM 1284 CA VAL A 834 18.021 4.055 20.582 1.00 43.02 C ATOM 1285 C VAL A 834 19.067 4.742 21.449 1.00 45.78 C ATOM 1286 O VAL A 834 19.551 5.833 21.112 1.00 50.59 O ATOM 1287 CB VAL A 834 16.588 4.474 20.967 1.00 37.17 C ATOM 1288 CG1 VAL A 834 16.439 5.990 20.957 1.00 35.35 C ATOM 1289 CG2 VAL A 834 15.585 3.827 20.016 1.00 30.17 C ATOM 1290 H VAL A 834 17.354 2.031 21.016 1.00 0.00 H ATOM 1291 N GLN A 835 19.492 4.089 22.531 1.00 45.21 N ATOM 1292 CA GLN A 835 20.435 4.712 23.448 1.00 49.53 C ATOM 1293 C GLN A 835 21.863 4.621 22.937 1.00 48.71 C ATOM 1294 O GLN A 835 22.655 5.544 23.161 1.00 52.40 O ATOM 1295 CB GLN A 835 20.334 4.064 24.833 1.00 54.31 C ATOM 1296 CG GLN A 835 20.583 5.025 25.986 1.00 60.35 C ATOM 1297 CD GLN A 835 19.828 4.646 27.243 1.00 67.03 C ATOM 1298 OE1 GLN A 835 19.670 3.465 27.557 1.00 73.15 O ATOM 1299 NE2 GLN A 835 19.345 5.650 27.968 1.00 64.87 N ATOM 1300 HE22 GLN A 835 19.502 6.633 27.665 1.00 0.00 H ATOM 1301 HE21 GLN A 835 18.810 5.453 28.838 1.00 0.00 H ATOM 1302 H GLN A 835 19.147 3.127 22.721 1.00 0.00 H ATOM 1303 N ASP A 836 22.205 3.555 22.213 1.00 47.14 N ATOM 1304 CA ASP A 836 23.541 3.519 21.629 1.00 47.91 C ATOM 1305 C ASP A 836 23.631 4.462 20.437 1.00 44.59 C ATOM 1306 O ASP A 836 24.638 5.173 20.266 1.00 46.40 O ATOM 1307 CB ASP A 836 23.892 2.088 21.219 1.00 53.33 C ATOM 1308 CG ASP A 836 24.346 1.238 22.393 1.00 56.04 C ATOM 1309 OD1 ASP A 836 24.208 1.695 23.548 1.00 58.18 O ATOM 1310 OD2 ASP A 836 24.821 0.103 22.161 1.00 52.60 O ATOM 1311 H ASP A 836 21.537 2.771 22.069 1.00 0.00 H ATOM 1312 N MET A 837 22.543 4.546 19.664 1.00 40.44 N ATOM 1313 CA MET A 837 22.509 5.469 18.536 1.00 35.87 C ATOM 1314 C MET A 837 22.648 6.908 19.013 1.00 38.67 C ATOM 1315 O MET A 837 23.447 7.681 18.471 1.00 42.74 O ATOM 1316 CB MET A 837 21.217 5.286 17.742 1.00 37.32 C ATOM 1317 CG MET A 837 21.094 3.929 17.076 1.00 34.23 C ATOM 1318 SD MET A 837 22.346 3.694 15.803 1.00 35.75 S ATOM 1319 CE MET A 837 21.936 5.011 14.655 1.00 30.73 C ATOM 1320 H MET A 837 21.716 3.949 19.869 1.00 0.00 H ATOM 1321 N ARG A 838 21.883 7.284 20.041 1.00 35.06 N ATOM 1322 CA ARG A 838 22.018 8.627 20.592 1.00 30.07 C ATOM 1323 C ARG A 838 23.370 8.828 21.265 1.00 25.51 C ATOM 1324 O ARG A 838 23.880 9.958 21.312 1.00 27.00 O ATOM 1325 CB ARG A 838 20.884 8.906 21.572 1.00 15.63 C ATOM 1326 CG ARG A 838 19.559 9.194 20.892 1.00 20.90 C ATOM 1327 CD ARG A 838 18.421 9.161 21.882 1.00 15.78 C ATOM 1328 NE ARG A 838 17.175 9.645 21.299 1.00 27.99 N ATOM 1329 CZ ARG A 838 15.975 9.447 21.834 1.00 35.93 C ATOM 1330 NH1 ARG A 838 15.860 8.792 22.982 1.00 41.92 N ATOM 1331 NH2 ARG A 838 14.893 9.926 21.235 1.00 36.63 N ATOM 1332 HE ARG A 838 17.229 10.179 20.408 1.00 0.00 H ATOM 1333 HH12 ARG A 838 14.921 8.637 23.401 1.00 0.00 H ATOM 1334 HH11 ARG A 838 16.709 8.433 23.463 1.00 0.00 H ATOM 1335 HH22 ARG A 838 13.954 9.770 21.655 1.00 0.00 H ATOM 1336 HH21 ARG A 838 14.983 10.457 20.346 1.00 0.00 H ATOM 1337 H ARG A 838 21.193 6.621 20.447 1.00 0.00 H ATOM 1338 N LEU A 839 23.979 7.752 21.768 1.00 27.35 N ATOM 1339 CA LEU A 839 25.281 7.896 22.403 1.00 32.69 C ATOM 1340 C LEU A 839 26.365 8.233 21.392 1.00 32.91 C ATOM 1341 O LEU A 839 27.327 8.936 21.737 1.00 31.45 O ATOM 1342 CB LEU A 839 25.633 6.604 23.151 1.00 35.02 C ATOM 1343 CG LEU A 839 27.015 6.477 23.789 1.00 35.90 C ATOM 1344 CD1 LEU A 839 27.220 7.550 24.846 1.00 34.68 C ATOM 1345 CD2 LEU A 839 27.191 5.087 24.381 1.00 36.88 C ATOM 1346 H LEU A 839 23.527 6.818 21.707 1.00 0.00 H ATOM 1347 N ILE A 840 26.179 7.830 20.130 1.00 39.00 N ATOM 1348 CA ILE A 840 27.121 8.232 19.085 1.00 40.08 C ATOM 1349 C ILE A 840 27.145 9.751 18.951 1.00 47.76 C ATOM 1350 O ILE A 840 28.212 10.384 18.974 1.00 49.23 O ATOM 1351 CB ILE A 840 26.751 7.564 17.748 1.00 42.02 C ATOM 1352 CG1 ILE A 840 26.864 6.042 17.854 1.00 41.73 C ATOM 1353 CG2 ILE A 840 27.603 8.127 16.602 1.00 35.35 C ATOM 1354 CD1 ILE A 840 26.367 5.305 16.624 1.00 38.40 C ATOM 1355 H ILE A 840 25.364 7.230 19.891 1.00 0.00 H ATOM 1356 N PHE A 841 25.962 10.365 18.867 1.00 53.67 N ATOM 1357 CA PHE A 841 25.889 11.809 18.678 1.00 48.58 C ATOM 1358 C PHE A 841 26.312 12.554 19.937 1.00 49.27 C ATOM 1359 O PHE A 841 26.949 13.609 19.850 1.00 53.34 O ATOM 1360 CB PHE A 841 24.475 12.217 18.267 1.00 49.58 C ATOM 1361 CG PHE A 841 23.853 11.312 17.241 1.00 52.06 C ATOM 1362 CD1 PHE A 841 24.522 11.010 16.066 1.00 51.30 C ATOM 1363 CD2 PHE A 841 22.599 10.761 17.453 1.00 49.28 C ATOM 1364 CE1 PHE A 841 23.952 10.175 15.124 1.00 50.61 C ATOM 1365 CE2 PHE A 841 22.023 9.929 16.513 1.00 44.87 C ATOM 1366 CZ PHE A 841 22.701 9.633 15.349 1.00 46.97 C ATOM 1367 H PHE A 841 25.086 9.809 18.937 1.00 0.00 H ATOM 1368 N HIS A 842 25.954 12.035 21.115 1.00 45.11 N ATOM 1369 CA HIS A 842 26.443 12.635 22.354 1.00 37.01 C ATOM 1370 C HIS A 842 27.965 12.727 22.349 1.00 37.24 C ATOM 1371 O HIS A 842 28.539 13.802 22.576 1.00 42.62 O ATOM 1372 CB HIS A 842 25.951 11.837 23.563 1.00 41.72 C ATOM 1373 CG HIS A 842 24.473 11.923 23.787 1.00 48.11 C ATOM 1374 ND1 HIS A 842 23.720 12.996 23.364 1.00 51.60 N ATOM 1375 CD2 HIS A 842 23.607 11.068 24.382 1.00 51.20 C ATOM 1376 CE1 HIS A 842 22.455 12.801 23.690 1.00 51.91 C ATOM 1377 NE2 HIS A 842 22.358 11.638 24.308 1.00 49.27 N ATOM 1378 H HIS A 842 25.328 11.205 21.150 1.00 0.00 H ATOM 1379 N ASN A 843 28.642 11.612 22.052 1.00 39.61 N ATOM 1380 CA ASN A 843 30.100 11.642 22.107 1.00 40.95 C ATOM 1381 C ASN A 843 30.682 12.518 21.006 1.00 39.73 C ATOM 1382 O ASN A 843 31.718 13.170 21.214 1.00 39.43 O ATOM 1383 CB ASN A 843 30.666 10.226 22.010 1.00 41.24 C ATOM 1384 CG ASN A 843 30.215 9.343 23.151 1.00 44.86 C ATOM 1385 OD1 ASN A 843 30.034 9.807 24.276 1.00 49.39 O ATOM 1386 ND2 ASN A 843 30.036 8.057 22.869 1.00 43.83 N ATOM 1387 HD22 ASN A 843 30.201 7.709 21.903 1.00 0.00 H ATOM 1388 HD21 ASN A 843 29.731 7.399 23.614 1.00 0.00 H ATOM 1389 H ASN A 843 28.139 10.741 21.787 1.00 0.00 H ATOM 1390 N HIS A 844 30.010 12.588 19.854 1.00 38.19 N ATOM 1391 CA HIS A 844 30.483 13.473 18.796 1.00 45.49 C ATOM 1392 C HIS A 844 30.407 14.932 19.232 1.00 48.16 C ATOM 1393 O HIS A 844 31.368 15.691 19.059 1.00 49.50 O ATOM 1394 CB HIS A 844 29.687 13.248 17.511 1.00 41.30 C ATOM 1395 CG HIS A 844 30.278 13.927 16.316 1.00 46.46 C ATOM 1396 ND1 HIS A 844 31.513 13.590 15.804 1.00 50.32 N ATOM 1397 CD2 HIS A 844 29.810 14.931 15.536 1.00 48.80 C ATOM 1398 CE1 HIS A 844 31.777 14.352 14.758 1.00 47.72 C ATOM 1399 NE2 HIS A 844 30.760 15.174 14.574 1.00 45.25 N ATOM 1400 H HIS A 844 29.154 12.014 19.712 1.00 0.00 H ATOM 1401 N LYS A 845 29.272 15.344 19.809 1.00 42.12 N ATOM 1402 CA LYS A 845 29.168 16.688 20.369 1.00 33.79 C ATOM 1403 C LYS A 845 30.094 16.899 21.553 1.00 49.65 C ATOM 1404 O LYS A 845 30.309 18.048 21.956 1.00 54.72 O ATOM 1405 CB LYS A 845 27.734 16.994 20.800 1.00 22.87 C ATOM 1406 CG LYS A 845 26.743 17.087 19.662 1.00 31.30 C ATOM 1407 CD LYS A 845 25.318 17.070 20.172 1.00 36.10 C ATOM 1408 CE LYS A 845 24.324 17.237 19.039 1.00 41.85 C ATOM 1409 NZ LYS A 845 22.930 17.001 19.506 1.00 46.43 N ATOM 1410 HZ1 LYS A 845 22.850 16.033 19.879 1.00 0.00 H ATOM 1411 HZ2 LYS A 845 22.697 17.683 20.256 1.00 0.00 H ATOM 1412 HZ3 LYS A 845 22.273 17.122 18.709 1.00 0.00 H ATOM 1413 H LYS A 845 28.456 14.701 19.859 1.00 0.00 H ATOM 1414 N GLU A 846 30.658 15.832 22.109 1.00 60.49 N ATOM 1415 CA GLU A 846 31.537 15.998 23.256 1.00 68.40 C ATOM 1416 C GLU A 846 32.991 16.211 22.851 1.00 76.22 C ATOM 1417 O GLU A 846 33.688 17.018 23.474 1.00 77.87 O ATOM 1418 CB GLU A 846 31.424 14.787 24.184 1.00 70.58 C ATOM 1419 CG GLU A 846 32.129 14.968 25.513 1.00 73.96 C ATOM 1420 CD GLU A 846 32.029 13.739 26.392 1.00 76.12 C ATOM 1421 OE1 GLU A 846 31.392 12.752 25.967 1.00 77.22 O ATOM 1422 OE2 GLU A 846 32.580 13.762 27.513 1.00 77.23 O ATOM 1423 H GLU A 846 30.472 14.883 21.726 1.00 0.00 H ATOM 1424 N PHE A 847 33.470 15.520 21.811 1.00 84.09 N ATOM 1425 CA PHE A 847 34.897 15.546 21.504 1.00 93.64 C ATOM 1426 C PHE A 847 35.297 16.353 20.274 1.00 94.20 C ATOM 1427 O PHE A 847 36.461 16.755 20.185 1.00 90.85 O ATOM 1428 CB PHE A 847 35.434 14.117 21.354 1.00104.17 C ATOM 1429 CG PHE A 847 35.902 13.517 22.649 1.00116.32 C ATOM 1430 CD1 PHE A 847 34.989 13.139 23.620 1.00120.16 C ATOM 1431 CD2 PHE A 847 37.254 13.346 22.904 1.00121.47 C ATOM 1432 CE1 PHE A 847 35.413 12.595 24.818 1.00123.10 C ATOM 1433 CE2 PHE A 847 37.684 12.800 24.101 1.00124.21 C ATOM 1434 CZ PHE A 847 36.762 12.425 25.059 1.00124.82 C ATOM 1435 H PHE A 847 32.823 14.962 21.218 1.00 0.00 H ATOM 1436 N TYR A 848 34.390 16.611 19.335 1.00 97.97 N ATOM 1437 CA TYR A 848 34.741 17.280 18.087 1.00101.39 C ATOM 1438 C TYR A 848 34.146 18.682 18.056 1.00 99.93 C ATOM 1439 O TYR A 848 32.951 18.860 18.310 1.00100.23 O ATOM 1440 CB TYR A 848 34.255 16.476 16.878 1.00106.26 C ATOM 1441 CG TYR A 848 35.280 15.505 16.331 1.00114.18 C ATOM 1442 CD1 TYR A 848 35.807 15.665 15.056 1.00117.31 C ATOM 1443 CD2 TYR A 848 35.744 14.448 17.104 1.00119.81 C ATOM 1444 CE1 TYR A 848 36.751 14.784 14.557 1.00120.73 C ATOM 1445 CE2 TYR A 848 36.685 13.560 16.613 1.00122.96 C ATOM 1446 CZ TYR A 848 37.186 13.734 15.340 1.00124.23 C ATOM 1447 OH TYR A 848 38.126 12.855 14.851 1.00126.81 O ATOM 1448 HH TYR A 848 38.377 13.121 13.931 1.00 0.00 H ATOM 1449 H TYR A 848 33.402 16.327 19.495 1.00 0.00 H ATOM 1450 N ARG A 849 34.989 19.671 17.742 1.00101.39 N ATOM 1451 CA ARG A 849 34.584 21.069 17.672 1.00 97.88 C ATOM 1452 C ARG A 849 34.607 21.641 16.261 1.00 93.94 C ATOM 1453 O ARG A 849 34.099 22.750 16.058 1.00 94.30 O ATOM 1454 CB ARG A 849 35.490 21.933 18.565 1.00104.50 C ATOM 1455 CG ARG A 849 35.245 21.789 20.057 1.00110.32 C ATOM 1456 CD ARG A 849 36.458 22.233 20.874 1.00115.06 C ATOM 1457 NE ARG A 849 36.688 23.676 20.832 1.00117.87 N ATOM 1458 CZ ARG A 849 37.590 24.274 20.058 1.00120.09 C ATOM 1459 NH1 ARG A 849 37.727 25.593 20.095 1.00120.66 N ATOM 1460 NH2 ARG A 849 38.355 23.557 19.247 1.00121.22 N ATOM 1461 HE ARG A 849 36.106 24.277 21.450 1.00 0.00 H ATOM 1462 HH12 ARG A 849 38.432 26.060 19.490 1.00 0.00 H ATOM 1463 HH11 ARG A 849 37.129 26.160 20.729 1.00 0.00 H ATOM 1464 HH22 ARG A 849 39.059 24.029 18.644 1.00 0.00 H ATOM 1465 HH21 ARG A 849 38.252 22.523 19.214 1.00 0.00 H ATOM 1466 H ARG A 849 35.980 19.431 17.538 1.00 0.00 H ATOM 1467 N GLU A 850 35.182 20.930 15.293 1.00 88.18 N ATOM 1468 CA GLU A 850 35.345 21.481 13.954 1.00 77.84 C ATOM 1469 C GLU A 850 33.991 21.664 13.284 1.00 66.03 C ATOM 1470 O GLU A 850 33.110 20.807 13.386 1.00 61.04 O ATOM 1471 CB GLU A 850 36.240 20.567 13.115 1.00 78.43 C ATOM 1472 CG GLU A 850 36.794 21.211 11.851 1.00 78.14 C ATOM 1473 CD GLU A 850 35.951 20.923 10.622 1.00 79.16 C ATOM 1474 OE1 GLU A 850 35.003 20.116 10.723 1.00 82.55 O ATOM 1475 OE2 GLU A 850 36.240 21.501 9.554 1.00 75.20 O ATOM 1476 H GLU A 850 35.520 19.967 15.496 1.00 0.00 H ATOM 1477 N ASP A 851 33.840 22.782 12.568 1.00 66.48 N ATOM 1478 CA ASP A 851 32.511 23.228 12.153 1.00 70.73 C ATOM 1479 C ASP A 851 31.887 22.269 11.148 1.00 69.86 C ATOM 1480 O ASP A 851 30.694 21.947 11.240 1.00 70.57 O ATOM 1481 CB ASP A 851 32.598 24.636 11.557 1.00 71.88 C ATOM 1482 CG ASP A 851 33.348 25.610 12.451 1.00 71.30 C ATOM 1483 OD1 ASP A 851 33.271 25.465 13.690 1.00 71.60 O ATOM 1484 OD2 ASP A 851 34.018 26.521 11.914 1.00 67.41 O ATOM 1485 H ASP A 851 34.676 23.341 12.303 1.00 0.00 H ATOM 1486 N LYS A 852 32.694 21.759 10.218 1.00 70.27 N ATOM 1487 CA LYS A 852 32.171 20.904 9.159 1.00 74.06 C ATOM 1488 C LYS A 852 31.660 19.583 9.724 1.00 70.64 C ATOM 1489 O LYS A 852 30.512 19.191 9.473 1.00 74.24 O ATOM 1490 CB LYS A 852 33.256 20.691 8.100 1.00 81.65 C ATOM 1491 CG LYS A 852 32.767 20.172 6.756 1.00 83.56 C ATOM 1492 CD LYS A 852 33.864 20.310 5.700 1.00 84.99 C ATOM 1493 CE LYS A 852 34.415 18.969 5.246 1.00 85.40 C ATOM 1494 NZ LYS A 852 35.756 19.120 4.611 1.00 85.46 N ATOM 1495 HZ1 LYS A 852 35.678 19.743 3.782 1.00 0.00 H ATOM 1496 HZ2 LYS A 852 36.418 19.535 5.297 1.00 0.00 H ATOM 1497 HZ3 LYS A 852 36.104 18.187 4.312 1.00 0.00 H ATOM 1498 H LYS A 852 33.711 21.974 10.248 1.00 0.00 H ATOM 1499 N PHE A 853 32.494 18.886 10.500 1.00 67.95 N ATOM 1500 CA PHE A 853 32.074 17.605 11.060 1.00 67.61 C ATOM 1501 C PHE A 853 31.029 17.776 12.160 1.00 60.53 C ATOM 1502 O PHE A 853 30.212 16.871 12.376 1.00 60.40 O ATOM 1503 CB PHE A 853 33.288 16.827 11.572 1.00 76.69 C ATOM 1504 CG PHE A 853 34.221 16.370 10.478 1.00 85.54 C ATOM 1505 CD1 PHE A 853 33.830 16.427 9.147 1.00 84.22 C ATOM 1506 CD2 PHE A 853 35.472 15.851 10.780 1.00 89.08 C ATOM 1507 CE1 PHE A 853 34.674 16.004 8.137 1.00 82.00 C ATOM 1508 CE2 PHE A 853 36.321 15.421 9.772 1.00 88.04 C ATOM 1509 CZ PHE A 853 35.920 15.499 8.449 1.00 84.47 C ATOM 1510 H PHE A 853 33.444 19.256 10.706 1.00 0.00 H ATOM 1511 N THR A 854 31.022 18.922 12.851 1.00 51.84 N ATOM 1512 CA THR A 854 29.973 19.183 13.834 1.00 39.32 C ATOM 1513 C THR A 854 28.614 19.282 13.152 1.00 36.17 C ATOM 1514 O THR A 854 27.650 18.614 13.555 1.00 37.04 O ATOM 1515 CB THR A 854 30.270 20.473 14.608 1.00 37.16 C ATOM 1516 OG1 THR A 854 31.417 20.287 15.450 1.00 38.38 O ATOM 1517 CG2 THR A 854 29.074 20.878 15.463 1.00 26.46 C ATOM 1518 HG1 THR A 854 32.201 20.054 14.892 1.00 0.00 H ATOM 1519 H THR A 854 31.766 19.630 12.688 1.00 0.00 H ATOM 1520 N ARG A 855 28.520 20.121 12.115 1.00 38.32 N ATOM 1521 CA ARG A 855 27.309 20.154 11.302 1.00 43.49 C ATOM 1522 C ARG A 855 26.967 18.770 10.760 1.00 45.25 C ATOM 1523 O ARG A 855 25.790 18.389 10.702 1.00 46.73 O ATOM 1524 CB ARG A 855 27.465 21.167 10.167 1.00 48.62 C ATOM 1525 CG ARG A 855 27.581 22.613 10.651 1.00 53.06 C ATOM 1526 CD ARG A 855 27.389 23.617 9.519 1.00 54.73 C ATOM 1527 NE ARG A 855 28.293 23.365 8.403 1.00 56.16 N ATOM 1528 CZ ARG A 855 29.466 23.967 8.235 1.00 56.83 C ATOM 1529 NH1 ARG A 855 30.213 23.681 7.176 1.00 64.15 N ATOM 1530 NH2 ARG A 855 29.890 24.857 9.118 1.00 54.37 N ATOM 1531 HE ARG A 855 28.000 22.667 7.690 1.00 0.00 H ATOM 1532 HH12 ARG A 855 31.131 24.152 7.045 1.00 0.00 H ATOM 1533 HH11 ARG A 855 29.881 22.986 6.478 1.00 0.00 H ATOM 1534 HH22 ARG A 855 30.808 25.326 8.984 1.00 0.00 H ATOM 1535 HH21 ARG A 855 29.305 25.087 9.946 1.00 0.00 H ATOM 1536 H ARG A 855 29.314 20.753 11.887 1.00 0.00 H ATOM 1537 N LEU A 856 27.986 17.996 10.372 1.00 46.51 N ATOM 1538 CA LEU A 856 27.738 16.657 9.844 1.00 50.77 C ATOM 1539 C LEU A 856 27.032 15.778 10.871 1.00 49.60 C ATOM 1540 O LEU A 856 26.028 15.121 10.559 1.00 54.44 O ATOM 1541 CB LEU A 856 29.058 16.021 9.410 1.00 57.60 C ATOM 1542 CG LEU A 856 28.967 14.899 8.379 1.00 59.44 C ATOM 1543 CD1 LEU A 856 28.392 15.440 7.083 1.00 59.70 C ATOM 1544 CD2 LEU A 856 30.331 14.271 8.148 1.00 62.95 C ATOM 1545 H LEU A 856 28.961 18.350 10.447 1.00 0.00 H ATOM 1546 N GLY A 857 27.506 15.800 12.119 1.00 41.69 N ATOM 1547 CA GLY A 857 26.894 14.969 13.140 1.00 34.11 C ATOM 1548 C GLY A 857 25.524 15.467 13.543 1.00 33.01 C ATOM 1549 O GLY A 857 24.654 14.672 13.917 1.00 38.36 O ATOM 1550 H GLY A 857 28.312 16.411 12.359 1.00 0.00 H ATOM 1551 N ILE A 858 25.306 16.781 13.463 1.00 29.22 N ATOM 1552 CA ILE A 858 23.966 17.324 13.672 1.00 32.48 C ATOM 1553 C ILE A 858 23.000 16.779 12.624 1.00 38.21 C ATOM 1554 O ILE A 858 21.884 16.341 12.943 1.00 40.58 O ATOM 1555 CB ILE A 858 24.008 18.862 13.655 1.00 36.04 C ATOM 1556 CG1 ILE A 858 24.850 19.368 14.827 1.00 40.11 C ATOM 1557 CG2 ILE A 858 22.599 19.441 13.679 1.00 37.23 C ATOM 1558 CD1 ILE A 858 25.011 20.858 14.858 1.00 42.14 C ATOM 1559 H ILE A 858 26.096 17.423 13.250 1.00 0.00 H ATOM 1560 N GLN A 859 23.423 16.779 11.355 1.00 41.65 N ATOM 1561 CA GLN A 859 22.538 16.309 10.292 1.00 47.93 C ATOM 1562 C GLN A 859 22.240 14.820 10.433 1.00 42.51 C ATOM 1563 O GLN A 859 21.082 14.398 10.308 1.00 40.45 O ATOM 1564 CB GLN A 859 23.143 16.608 8.918 1.00 51.36 C ATOM 1565 CG GLN A 859 23.259 18.090 8.592 1.00 55.52 C ATOM 1566 CD GLN A 859 24.263 18.375 7.484 1.00 59.63 C ATOM 1567 OE1 GLN A 859 24.523 17.528 6.627 1.00 63.67 O ATOM 1568 NE2 GLN A 859 24.833 19.574 7.500 1.00 56.93 N ATOM 1569 HE22 GLN A 859 24.584 20.258 8.242 1.00 0.00 H ATOM 1570 HE21 GLN A 859 25.529 19.829 6.770 1.00 0.00 H ATOM 1571 H GLN A 859 24.381 17.113 11.125 1.00 0.00 H ATOM 1572 N VAL A 860 23.261 14.008 10.722 1.00 43.53 N ATOM 1573 CA VAL A 860 23.014 12.576 10.886 1.00 48.47 C ATOM 1574 C VAL A 860 22.124 12.321 12.098 1.00 50.69 C ATOM 1575 O VAL A 860 21.256 11.438 12.073 1.00 54.08 O ATOM 1576 CB VAL A 860 24.343 11.803 10.980 1.00 44.52 C ATOM 1577 CG1 VAL A 860 24.080 10.309 11.067 1.00 41.90 C ATOM 1578 CG2 VAL A 860 25.214 12.105 9.778 1.00 43.64 C ATOM 1579 H VAL A 860 24.222 14.391 10.829 1.00 0.00 H ATOM 1580 N GLN A 861 22.292 13.110 13.162 1.00 51.35 N ATOM 1581 CA GLN A 861 21.411 12.974 14.316 1.00 47.27 C ATOM 1582 C GLN A 861 19.957 13.228 13.930 1.00 49.57 C ATOM 1583 O GLN A 861 19.075 12.406 14.213 1.00 44.34 O ATOM 1584 CB GLN A 861 21.841 13.927 15.431 1.00 36.21 C ATOM 1585 CG GLN A 861 20.870 13.929 16.598 1.00 39.59 C ATOM 1586 CD GLN A 861 21.278 14.870 17.708 1.00 42.72 C ATOM 1587 OE1 GLN A 861 21.653 16.018 17.463 1.00 39.63 O ATOM 1588 NE2 GLN A 861 21.192 14.392 18.943 1.00 48.20 N ATOM 1589 HE22 GLN A 861 20.870 13.416 19.102 1.00 0.00 H ATOM 1590 HE21 GLN A 861 21.447 14.994 19.752 1.00 0.00 H ATOM 1591 H GLN A 861 23.051 13.821 13.168 1.00 0.00 H ATOM 1592 N ASP A 862 19.689 14.364 13.274 1.00 56.46 N ATOM 1593 CA ASP A 862 18.323 14.654 12.841 1.00 58.36 C ATOM 1594 C ASP A 862 17.770 13.549 11.946 1.00 51.20 C ATOM 1595 O ASP A 862 16.581 13.214 12.026 1.00 47.79 O ATOM 1596 CB ASP A 862 18.266 16.005 12.131 1.00 69.15 C ATOM 1597 CG ASP A 862 17.996 17.149 13.088 1.00 80.23 C ATOM 1598 OD1 ASP A 862 18.903 17.483 13.880 1.00 83.66 O ATOM 1599 OD2 ASP A 862 16.878 17.711 13.053 1.00 83.64 O ATOM 1600 H ASP A 862 20.453 15.040 13.072 1.00 0.00 H ATOM 1601 N ILE A 863 18.614 12.969 11.089 1.00 52.87 N ATOM 1602 CA ILE A 863 18.148 11.878 10.235 1.00 54.08 C ATOM 1603 C ILE A 863 17.707 10.688 11.082 1.00 53.24 C ATOM 1604 O ILE A 863 16.622 10.124 10.872 1.00 59.81 O ATOM 1605 CB ILE A 863 19.235 11.488 9.217 1.00 52.41 C ATOM 1606 CG1 ILE A 863 19.420 12.608 8.191 1.00 60.16 C ATOM 1607 CG2 ILE A 863 18.877 10.185 8.522 1.00 46.40 C ATOM 1608 CD1 ILE A 863 18.114 13.217 7.703 1.00 64.31 C ATOM 1609 H ILE A 863 19.601 13.293 11.029 1.00 0.00 H ATOM 1610 N PHE A 864 18.516 10.315 12.080 1.00 47.25 N ATOM 1611 CA PHE A 864 18.149 9.180 12.921 1.00 40.12 C ATOM 1612 C PHE A 864 16.870 9.458 13.699 1.00 40.35 C ATOM 1613 O PHE A 864 16.028 8.567 13.854 1.00 39.42 O ATOM 1614 CB PHE A 864 19.277 8.829 13.890 1.00 39.78 C ATOM 1615 CG PHE A 864 18.841 7.920 15.009 1.00 45.52 C ATOM 1616 CD1 PHE A 864 18.631 6.569 14.786 1.00 44.37 C ATOM 1617 CD2 PHE A 864 18.615 8.425 16.282 1.00 46.97 C ATOM 1618 CE1 PHE A 864 18.213 5.736 15.814 1.00 43.86 C ATOM 1619 CE2 PHE A 864 18.199 7.598 17.310 1.00 46.91 C ATOM 1620 CZ PHE A 864 17.997 6.253 17.075 1.00 43.70 C ATOM 1621 H PHE A 864 19.402 10.831 12.256 1.00 0.00 H ATOM 1622 N GLU A 865 16.698 10.688 14.188 1.00 39.19 N ATOM 1623 CA GLU A 865 15.537 10.969 15.026 1.00 32.11 C ATOM 1624 C GLU A 865 14.261 11.027 14.196 1.00 39.21 C ATOM 1625 O GLU A 865 13.205 10.552 14.635 1.00 44.30 O ATOM 1626 CB GLU A 865 15.750 12.279 15.785 1.00 34.04 C ATOM 1627 CG GLU A 865 16.758 12.195 16.937 1.00 43.43 C ATOM 1628 CD GLU A 865 16.388 11.167 17.999 1.00 51.26 C ATOM 1629 OE1 GLU A 865 15.207 11.118 18.408 1.00 52.04 O ATOM 1630 OE2 GLU A 865 17.284 10.414 18.437 1.00 53.24 O ATOM 1631 H GLU A 865 17.385 11.439 13.974 1.00 0.00 H ATOM 1632 N LYS A 866 14.350 11.563 12.976 1.00 37.42 N ATOM 1633 CA LYS A 866 13.179 11.621 12.110 1.00 34.61 C ATOM 1634 C LYS A 866 12.776 10.230 11.640 1.00 43.08 C ATOM 1635 O LYS A 866 11.592 9.869 11.678 1.00 45.65 O ATOM 1636 CB LYS A 866 13.451 12.571 10.953 1.00 40.58 C ATOM 1637 CG LYS A 866 13.393 14.004 11.458 1.00 50.65 C ATOM 1638 CD LYS A 866 14.051 15.004 10.534 1.00 53.83 C ATOM 1639 CE LYS A 866 13.825 16.424 11.046 1.00 55.77 C ATOM 1640 NZ LYS A 866 14.559 17.457 10.269 1.00 58.84 N ATOM 1641 HZ1 LYS A 866 15.580 17.266 10.319 1.00 0.00 H ATOM 1642 HZ2 LYS A 866 14.248 17.429 9.277 1.00 0.00 H ATOM 1643 HZ3 LYS A 866 14.361 18.396 10.670 1.00 0.00 H ATOM 1644 H LYS A 866 15.260 11.941 12.642 1.00 0.00 H ATOM 1645 N ASN A 867 13.748 9.425 11.199 1.00 50.54 N ATOM 1646 CA ASN A 867 13.413 8.049 10.846 1.00 49.68 C ATOM 1647 C ASN A 867 12.906 7.277 12.059 1.00 47.07 C ATOM 1648 O ASN A 867 12.039 6.402 11.927 1.00 47.61 O ATOM 1649 CB ASN A 867 14.631 7.351 10.243 1.00 52.10 C ATOM 1650 CG ASN A 867 14.939 7.829 8.846 1.00 51.10 C ATOM 1651 OD1 ASN A 867 14.453 7.265 7.868 1.00 56.30 O ATOM 1652 ND2 ASN A 867 15.761 8.868 8.740 1.00 51.34 N ATOM 1653 HD22 ASN A 867 16.148 9.314 9.596 1.00 0.00 H ATOM 1654 HD21 ASN A 867 16.017 9.235 7.801 1.00 0.00 H ATOM 1655 H ASN A 867 14.724 9.773 11.109 1.00 0.00 H ATOM 1656 N PHE A 868 13.381 7.638 13.252 1.00 48.80 N ATOM 1657 CA PHE A 868 12.956 6.956 14.469 1.00 50.96 C ATOM 1658 C PHE A 868 11.494 7.243 14.773 1.00 49.79 C ATOM 1659 O PHE A 868 10.719 6.326 15.069 1.00 48.75 O ATOM 1660 CB PHE A 868 13.840 7.377 15.645 1.00 48.54 C ATOM 1661 CG PHE A 868 13.266 7.024 16.989 1.00 46.80 C ATOM 1662 CD1 PHE A 868 12.990 5.707 17.319 1.00 46.56 C ATOM 1663 CD2 PHE A 868 12.984 8.014 17.915 1.00 46.28 C ATOM 1664 CE1 PHE A 868 12.453 5.385 18.550 1.00 44.02 C ATOM 1665 CE2 PHE A 868 12.446 7.698 19.147 1.00 42.09 C ATOM 1666 CZ PHE A 868 12.182 6.383 19.465 1.00 43.45 C ATOM 1667 H PHE A 868 14.065 8.418 13.315 1.00 0.00 H ATOM 1668 N ARG A 869 11.091 8.511 14.691 1.00 48.83 N ATOM 1669 CA ARG A 869 9.710 8.837 15.018 1.00 53.53 C ATOM 1670 C ARG A 869 8.750 8.469 13.896 1.00 56.22 C ATOM 1671 O ARG A 869 7.568 8.221 14.162 1.00 57.05 O ATOM 1672 CB ARG A 869 9.585 10.321 15.361 1.00 56.71 C ATOM 1673 CG ARG A 869 10.100 10.656 16.748 1.00 59.78 C ATOM 1674 CD ARG A 869 10.398 12.134 16.898 1.00 66.75 C ATOM 1675 NE ARG A 869 10.750 12.476 18.273 1.00 72.75 N ATOM 1676 CZ ARG A 869 11.942 12.253 18.818 1.00 76.77 C ATOM 1677 NH1 ARG A 869 12.172 12.599 20.077 1.00 80.19 N ATOM 1678 NH2 ARG A 869 12.903 11.680 18.106 1.00 76.46 N ATOM 1679 HE ARG A 869 10.021 12.923 18.865 1.00 0.00 H ATOM 1680 HH12 ARG A 869 13.105 12.424 20.502 1.00 0.00 H ATOM 1681 HH11 ARG A 869 11.420 13.045 20.639 1.00 0.00 H ATOM 1682 HH22 ARG A 869 13.835 11.507 18.534 1.00 0.00 H ATOM 1683 HH21 ARG A 869 12.725 11.404 17.119 1.00 0.00 H ATOM 1684 H ARG A 869 11.754 9.257 14.398 1.00 0.00 H ATOM 1685 N ASN A 870 9.227 8.426 12.647 1.00 56.11 N ATOM 1686 CA ASN A 870 8.364 7.988 11.555 1.00 59.06 C ATOM 1687 C ASN A 870 8.122 6.482 11.590 1.00 52.84 C ATOM 1688 O ASN A 870 6.988 6.031 11.390 1.00 52.79 O ATOM 1689 CB ASN A 870 8.946 8.414 10.207 1.00 69.97 C ATOM 1690 CG ASN A 870 8.763 9.895 9.939 1.00 80.02 C ATOM 1691 OD1 ASN A 870 7.684 10.446 10.161 1.00 81.84 O ATOM 1692 ND2 ASN A 870 9.815 10.548 9.457 1.00 84.09 N ATOM 1693 HD22 ASN A 870 10.707 10.042 9.285 1.00 0.00 H ATOM 1694 HD21 ASN A 870 9.746 11.565 9.252 1.00 0.00 H ATOM 1695 H ASN A 870 10.211 8.704 12.455 1.00 0.00 H ATOM 1696 N ILE A 871 9.162 5.683 11.847 1.00 48.23 N ATOM 1697 CA ILE A 871 8.997 4.235 11.732 1.00 45.63 C ATOM 1698 C ILE A 871 8.153 3.690 12.880 1.00 52.23 C ATOM 1699 O ILE A 871 7.250 2.873 12.667 1.00 56.93 O ATOM 1700 CB ILE A 871 10.366 3.540 11.656 1.00 45.78 C ATOM 1701 CG1 ILE A 871 11.087 3.912 10.364 1.00 51.16 C ATOM 1702 CG2 ILE A 871 10.202 2.036 11.717 1.00 44.06 C ATOM 1703 CD1 ILE A 871 12.528 3.472 10.342 1.00 51.88 C ATOM 1704 H ILE A 871 10.079 6.087 12.126 1.00 0.00 H ATOM 1705 N PHE A 872 8.415 4.138 14.108 1.00 50.85 N ATOM 1706 CA PHE A 872 7.641 3.674 15.255 1.00 47.05 C ATOM 1707 C PHE A 872 6.339 4.439 15.457 1.00 50.15 C ATOM 1708 O PHE A 872 5.620 4.147 16.419 1.00 56.99 O ATOM 1709 CB PHE A 872 8.485 3.742 16.529 1.00 38.63 C ATOM 1710 CG PHE A 872 9.511 2.653 16.630 1.00 39.97 C ATOM 1711 CD1 PHE A 872 9.164 1.398 17.102 1.00 40.22 C ATOM 1712 CD2 PHE A 872 10.820 2.880 16.244 1.00 43.67 C ATOM 1713 CE1 PHE A 872 10.108 0.387 17.190 1.00 43.43 C ATOM 1714 CE2 PHE A 872 11.769 1.875 16.332 1.00 44.20 C ATOM 1715 CZ PHE A 872 11.413 0.628 16.805 1.00 44.34 C ATOM 1716 H PHE A 872 9.181 4.827 14.250 1.00 0.00 H ATOM 1717 N ALA A 873 6.027 5.403 14.589 1.00 45.62 N ATOM 1718 CA ALA A 873 4.749 6.116 14.601 1.00 50.02 C ATOM 1719 C ALA A 873 4.523 6.815 15.942 1.00 54.64 C ATOM 1720 O ALA A 873 3.592 6.512 16.691 1.00 57.00 O ATOM 1721 CB ALA A 873 3.591 5.167 14.270 1.00 53.88 C ATOM 1722 H ALA A 873 6.729 5.661 13.866 1.00 0.00 H ATOM 1723 N ILE A 874 5.391 7.772 16.225 1.00 63.47 N ATOM 1724 CA ILE A 874 5.353 8.519 17.476 1.00 69.24 C ATOM 1725 C ILE A 874 4.636 9.836 17.220 1.00 81.58 C ATOM 1726 O ILE A 874 4.736 10.422 16.136 1.00 82.88 O ATOM 1727 CB ILE A 874 6.773 8.732 18.042 1.00 59.89 C ATOM 1728 CG1 ILE A 874 7.475 7.384 18.214 1.00 53.98 C ATOM 1729 CG2 ILE A 874 6.720 9.457 19.370 1.00 61.41 C ATOM 1730 CD1 ILE A 874 8.854 7.482 18.819 1.00 52.25 C ATOM 1731 H ILE A 874 6.129 8.000 15.528 1.00 0.00 H ATOM 1732 N GLN A 875 3.896 10.302 18.222 1.00 92.73 N ATOM 1733 CA GLN A 875 3.020 11.455 18.072 1.00106.14 C ATOM 1734 C GLN A 875 3.783 12.762 18.262 1.00110.74 C ATOM 1735 O GLN A 875 4.654 12.869 19.130 1.00109.51 O ATOM 1736 CB GLN A 875 1.870 11.375 19.078 1.00112.70 C ATOM 1737 CG GLN A 875 0.820 12.468 18.941 1.00115.72 C ATOM 1738 CD GLN A 875 -0.428 11.999 18.218 1.00116.99 C ATOM 1739 OE1 GLN A 875 -1.538 12.114 18.738 1.00118.78 O ATOM 1740 NE2 GLN A 875 -0.253 11.473 17.012 1.00114.52 N ATOM 1741 HE22 GLN A 875 0.704 11.396 16.612 1.00 0.00 H ATOM 1742 HE21 GLN A 875 -1.073 11.138 16.467 1.00 0.00 H ATOM 1743 H GLN A 875 3.945 9.826 19.145 1.00 0.00 H ATOM 1744 N GLU A 876 3.441 13.754 17.444 1.00114.55 N ATOM 1745 CA GLU A 876 3.940 15.114 17.615 1.00117.26 C ATOM 1746 C GLU A 876 3.223 15.773 18.793 1.00117.67 C ATOM 1747 O GLU A 876 2.439 15.149 19.513 1.00119.40 O ATOM 1748 CB GLU A 876 3.742 15.924 16.336 1.00118.61 C ATOM 1749 CG GLU A 876 4.909 15.916 15.369 1.00118.16 C ATOM 1750 CD GLU A 876 4.704 16.879 14.213 1.00115.90 C ATOM 1751 OE1 GLU A 876 3.755 17.691 14.278 1.00114.46 O ATOM 1752 OE2 GLU A 876 5.485 16.826 13.241 1.00115.27 O ATOM 1753 H GLU A 876 2.795 13.553 16.654 1.00 0.00 H ATOM 1754 N THR A 877 3.491 17.064 18.987 1.00114.69 N ATOM 1755 CA THR A 877 2.772 17.908 19.944 1.00111.70 C ATOM 1756 C THR A 877 2.623 17.285 21.333 1.00109.67 C ATOM 1757 O THR A 877 3.559 16.687 21.864 1.00107.26 O ATOM 1758 CB THR A 877 1.368 18.267 19.413 1.00110.08 C ATOM 1759 OG1 THR A 877 0.563 17.084 19.335 1.00111.12 O ATOM 1760 CG2 THR A 877 1.469 18.895 18.030 1.00107.44 C ATOM 1761 HG1 THR A 877 0.990 16.435 18.721 1.00 0.00 H ATOM 1762 H THR A 877 4.254 17.496 18.427 1.00 0.00 H TER 1763 THR A 877 HETATM 1764 ZN ZN A 1 26.483 -2.224 -0.253 1.00 39.09 ZN HETATM 1765 ZN ZN A 2 12.312 -6.263 -1.580 1.00 38.69 ZN HETATM 1766 O HOH 3 21.703 -6.680 -16.163 1.00 55.32 O HETATM 1767 O HOH 4 10.656 -12.924 21.773 1.00 64.33 O HETATM 1768 O HOH 5 15.227 17.791 7.621 1.00 48.14 O HETATM 1769 O HOH 6 13.516 -13.054 4.914 1.00 60.36 O HETATM 1770 O HOH 7 19.150 -3.948 25.936 1.00 47.07 O HETATM 1771 O HOH 8 11.993 -14.100 -7.974 1.00 41.76 O HETATM 1772 O HOH 9 11.668 -6.936 -10.076 1.00 31.17 O HETATM 1773 N ALA A 10 18.765 -17.274 -1.453 1.00 0.24 N HETATM 1774 CA ALA A 10 18.653 -15.967 -2.095 1.00 0.06 C HETATM 1775 C ALA A 10 19.525 -15.897 -3.343 1.00 0.23 C HETATM 1776 O ALA A 10 20.647 -16.406 -3.356 1.00 -0.39 O HETATM 1777 N ALA A 10 19.007 -15.268 -4.394 1.00 -0.26 N HETATM 1778 CA ALA A 10 19.743 -15.153 -5.649 1.00 0.13 C HETATM 1779 C ALA A 10 20.851 -14.111 -5.553 1.00 0.20 C HETATM 1780 O ALA A 10 20.722 -13.110 -4.846 1.00 -0.39 O HETATM 1781 N ALA A 10 21.938 -14.352 -6.277 1.00 -0.26 N HETATM 1782 CA ALA A 10 23.079 -13.449 -6.288 1.00 0.16 C HETATM 1783 CB ALA A 10 24.243 -14.065 -5.547 1.00 0.13 C HETATM 1784 CG2 ALA A 10 24.041 -13.832 -4.055 1.00 -0.03 C HETATM 1785 H24 ALA A 10 24.880 -14.274 -3.498 1.00 0.03 H HETATM 1786 H25 ALA A 10 23.100 -14.302 -3.735 1.00 0.03 H HETATM 1787 H26 ALA A 10 23.997 -12.751 -3.855 1.00 0.03 H HETATM 1788 OG1 ALA A 10 24.247 -15.472 -5.801 1.00 -0.27 O HETATM 1789 P ALA A 10 25.740 -16.031 -5.571 1.00 0.20 P HETATM 1790 O1P ALA A 10 25.932 -17.235 -6.410 1.00 -0.55 O HETATM 1791 O2P ALA A 10 26.812 -14.915 -6.021 1.00 -0.55 O HETATM 1792 O3P ALA A 10 25.948 -16.422 -4.024 1.00 -0.55 O HETATM 1793 H23 ALA A 10 25.190 -13.615 -5.879 1.00 0.07 H HETATM 1794 C ALA A 10 23.493 -13.121 -7.713 1.00 0.21 C HETATM 1795 O ALA A 10 23.150 -13.839 -8.651 1.00 -0.39 O HETATM 1796 N ALA A 10 24.239 -12.031 -7.860 1.00 -0.26 N HETATM 1797 CA ALA A 10 24.805 -11.646 -9.145 1.00 0.13 C HETATM 1798 C ALA A 10 26.118 -10.901 -8.920 1.00 0.20 C HETATM 1799 O ALA A 10 26.464 -10.582 -7.785 1.00 -0.39 O HETATM 1800 N ALA A 10 26.856 -10.634 -9.995 1.00 -0.26 N HETATM 1801 CA ALA A 10 28.159 -9.981 -9.903 1.00 0.13 C HETATM 1802 C ALA A 10 28.200 -8.825 -10.892 1.00 0.20 C HETATM 1803 O ALA A 10 28.179 -9.042 -12.107 1.00 -0.39 O HETATM 1804 N ALA A 10 28.248 -7.603 -10.371 1.00 -0.26 N HETATM 1805 CA ALA A 10 28.331 -6.396 -11.178 1.00 0.16 C HETATM 1806 C ALA A 10 29.664 -5.696 -10.941 1.00 0.21 C HETATM 1807 O ALA A 10 30.365 -5.961 -9.961 1.00 -0.39 O HETATM 1808 N ALA A 10 30.012 -4.793 -11.857 1.00 -0.26 N HETATM 1809 CA ALA A 10 31.280 -4.083 -11.780 1.00 0.13 C HETATM 1810 C ALA A 10 31.126 -2.697 -12.390 1.00 0.20 C HETATM 1811 O ALA A 10 30.285 -2.477 -13.267 1.00 -0.39 O HETATM 1812 N ALA A 10 31.951 -1.763 -11.904 1.00 -0.26 N HETATM 1813 CA ALA A 10 31.919 -0.389 -12.401 1.00 0.13 C HETATM 1814 C ALA A 10 32.150 -0.326 -13.907 1.00 0.20 C HETATM 1815 O ALA A 10 31.448 0.401 -14.620 1.00 -0.39 O HETATM 1816 N ALA A 10 33.114 -1.091 -14.413 1.00 -0.26 N HETATM 1817 CA ALA A 10 33.362 -1.166 -15.851 1.00 0.13 C HETATM 1818 C ALA A 10 32.792 -2.480 -16.383 1.00 0.20 C HETATM 1819 O ALA A 10 33.505 -3.410 -16.764 1.00 -0.39 O HETATM 1820 N ALA A 10 31.463 -2.526 -16.395 1.00 -0.27 N HETATM 1821 CA ALA A 10 30.716 -3.685 -16.865 1.00 0.12 C HETATM 1822 C ALA A 10 29.260 -3.305 -17.113 1.00 0.06 C HETATM 1823 O ALA A 10 28.673 -2.536 -16.350 1.00 -0.57 O HETATM 1824 OXT ALA A 10 28.648 -3.761 -18.080 1.00 -0.57 O HETATM 1825 CB ALA A 10 30.805 -4.827 -15.848 1.00 0.08 C HETATM 1826 OG ALA A 10 30.012 -5.932 -16.241 1.00 -0.39 O HETATM 1827 H90 ALA A 10 30.088 -6.622 -15.592 1.00 0.21 H HETATM 1828 H88 ALA A 10 30.454 -4.464 -14.871 1.00 0.06 H HETATM 1829 H89 ALA A 10 31.853 -5.151 -15.764 1.00 0.06 H HETATM 1830 H87 ALA A 10 31.157 -4.026 -17.814 1.00 0.07 H HETATM 1831 H86 ALA A 10 30.954 -1.730 -16.067 1.00 0.19 H HETATM 1832 CB ALA A 10 34.855 -1.033 -16.142 1.00 -0.01 C HETATM 1833 CG ALA A 10 35.451 0.329 -15.798 1.00 -0.04 C HETATM 1834 CD ALA A 10 36.967 0.341 -15.988 1.00 -0.01 C HETATM 1835 CE ALA A 10 37.360 0.145 -17.446 1.00 -0.04 C HETATM 1836 NZ ALA A 10 36.577 1.012 -18.373 1.00 0.22 N HETATM 1837 H83 ALA A 10 36.874 0.844 -19.321 1.00 0.20 H HETATM 1838 H84 ALA A 10 36.731 1.980 -18.139 1.00 0.20 H HETATM 1839 H85 ALA A 10 35.596 0.797 -18.286 1.00 0.20 H HETATM 1840 H81 ALA A 10 37.189 -0.907 -17.719 1.00 0.08 H HETATM 1841 H82 ALA A 10 38.428 0.384 -17.558 1.00 0.08 H HETATM 1842 H79 ALA A 10 37.407 -0.470 -15.389 1.00 0.03 H HETATM 1843 H80 ALA A 10 37.361 1.308 -15.641 1.00 0.03 H HETATM 1844 H77 ALA A 10 35.220 0.565 -14.749 1.00 0.03 H HETATM 1845 H78 ALA A 10 35.003 1.091 -16.453 1.00 0.03 H HETATM 1846 H75 ALA A 10 35.013 -1.215 -17.215 1.00 0.03 H HETATM 1847 H76 ALA A 10 35.388 -1.798 -15.558 1.00 0.03 H HETATM 1848 H74 ALA A 10 32.840 -0.333 -16.345 1.00 0.08 H HETATM 1849 H73 ALA A 10 33.684 -1.629 -13.792 1.00 0.19 H HETATM 1850 CB ALA A 10 32.964 0.450 -11.665 1.00 -0.01 C HETATM 1851 CG ALA A 10 33.057 1.884 -12.146 1.00 -0.02 C HETATM 1852 CD ALA A 10 34.104 2.659 -11.367 1.00 0.06 C HETATM 1853 NE ALA A 10 34.459 3.905 -12.037 1.00 -0.27 N HETATM 1854 CZ ALA A 10 35.299 4.809 -11.543 1.00 0.29 C HETATM 1855 NH1 ALA A 10 35.559 5.916 -12.225 1.00 -0.28 N HETATM 1856 H69 ALA A 10 36.210 6.616 -11.842 1.00 0.26 H HETATM 1857 H70 ALA A 10 35.110 6.076 -13.138 1.00 0.26 H HETATM 1858 NH2 ALA A 10 35.876 4.610 -10.366 1.00 -0.28 N HETATM 1859 H71 ALA A 10 35.676 3.751 -9.833 1.00 0.26 H HETATM 1860 H72 ALA A 10 36.524 5.314 -9.984 1.00 0.26 H HETATM 1861 H68 ALA A 10 34.030 4.097 -12.954 1.00 0.26 H HETATM 1862 H66 ALA A 10 35.006 2.038 -11.267 1.00 0.07 H HETATM 1863 H67 ALA A 10 33.706 2.892 -10.368 1.00 0.07 H HETATM 1864 H64 ALA A 10 32.079 2.370 -12.014 1.00 0.03 H HETATM 1865 H65 ALA A 10 33.328 1.888 -13.212 1.00 0.03 H HETATM 1866 H62 ALA A 10 33.947 -0.025 -11.802 1.00 0.03 H HETATM 1867 H63 ALA A 10 32.708 0.461 -10.595 1.00 0.03 H HETATM 1868 H61 ALA A 10 30.924 0.030 -12.190 1.00 0.08 H HETATM 1869 H60 ALA A 10 32.602 -2.010 -11.187 1.00 0.19 H HETATM 1870 CB ALA A 10 32.400 -4.854 -12.487 1.00 -0.02 C HETATM 1871 H57 ALA A 10 33.340 -4.289 -12.408 1.00 0.03 H HETATM 1872 H58 ALA A 10 32.140 -4.988 -13.547 1.00 0.03 H HETATM 1873 H59 ALA A 10 32.523 -5.839 -12.012 1.00 0.03 H HETATM 1874 H56 ALA A 10 31.553 -3.973 -10.720 1.00 0.08 H HETATM 1875 H55 ALA A 10 29.388 -4.599 -12.614 1.00 0.19 H HETATM 1876 CB ALA A 10 27.168 -5.450 -10.863 1.00 0.09 C HETATM 1877 OG1 ALA A 10 27.243 -5.035 -9.494 1.00 -0.39 O HETATM 1878 H51 ALA A 10 26.521 -4.449 -9.302 1.00 0.21 H HETATM 1879 CG2 ALA A 10 25.841 -6.164 -11.089 1.00 -0.03 C HETATM 1880 H52 ALA A 10 25.012 -5.478 -10.861 1.00 0.03 H HETATM 1881 H53 ALA A 10 25.781 -7.043 -10.431 1.00 0.03 H HETATM 1882 H54 ALA A 10 25.772 -6.486 -12.139 1.00 0.03 H HETATM 1883 H50 ALA A 10 27.227 -4.569 -11.519 1.00 0.06 H HETATM 1884 H49 ALA A 10 28.269 -6.681 -12.239 1.00 0.08 H HETATM 1885 H48 ALA A 10 28.226 -7.509 -9.376 1.00 0.19 H HETATM 1886 CB ALA A 10 29.294 -10.970 -10.172 1.00 0.00 C HETATM 1887 CG ALA A 10 30.328 -11.060 -9.054 1.00 0.04 C HETATM 1888 CD ALA A 10 31.044 -9.744 -8.791 1.00 0.17 C HETATM 1889 OE1 ALA A 10 31.146 -8.884 -9.669 1.00 -0.40 O HETATM 1890 NE2 ALA A 10 31.547 -9.583 -7.571 1.00 -0.30 N HETATM 1891 H46 ALA A 10 32.029 -8.739 -7.336 1.00 0.18 H HETATM 1892 H47 ALA A 10 31.443 -10.306 -6.888 1.00 0.18 H HETATM 1893 H44 ALA A 10 31.077 -11.816 -9.331 1.00 0.05 H HETATM 1894 H45 ALA A 10 29.818 -11.371 -8.130 1.00 0.05 H HETATM 1895 H42 ALA A 10 29.809 -10.661 -11.093 1.00 0.03 H HETATM 1896 H43 ALA A 10 28.854 -11.968 -10.315 1.00 0.03 H HETATM 1897 H41 ALA A 10 28.283 -9.581 -8.886 1.00 0.08 H HETATM 1898 H40 ALA A 10 26.506 -10.889 -10.896 1.00 0.19 H HETATM 1899 CB ALA A 10 23.812 -10.793 -9.937 1.00 -0.01 C HETATM 1900 CG ALA A 10 23.673 -9.362 -9.444 1.00 -0.04 C HETATM 1901 CD ALA A 10 22.349 -8.750 -9.891 1.00 -0.01 C HETATM 1902 CE ALA A 10 22.449 -8.116 -11.269 1.00 -0.04 C HETATM 1903 NZ ALA A 10 21.138 -7.586 -11.745 1.00 0.22 N HETATM 1904 H37 ALA A 10 21.253 -7.177 -12.659 1.00 0.20 H HETATM 1905 H38 ALA A 10 20.806 -6.884 -11.102 1.00 0.20 H HETATM 1906 H39 ALA A 10 20.470 -8.339 -11.796 1.00 0.20 H HETATM 1907 H35 ALA A 10 22.804 -8.874 -11.982 1.00 0.08 H HETATM 1908 H36 ALA A 10 23.171 -7.287 -11.226 1.00 0.08 H HETATM 1909 H33 ALA A 10 22.052 -7.978 -9.166 1.00 0.03 H HETATM 1910 H34 ALA A 10 21.584 -9.540 -9.919 1.00 0.03 H HETATM 1911 H31 ALA A 10 24.501 -8.761 -9.849 1.00 0.03 H HETATM 1912 H32 ALA A 10 23.718 -9.355 -8.345 1.00 0.03 H HETATM 1913 H29 ALA A 10 22.824 -11.273 -9.879 1.00 0.03 H HETATM 1914 H30 ALA A 10 24.144 -10.764 -10.985 1.00 0.03 H HETATM 1915 H28 ALA A 10 25.015 -12.557 -9.724 1.00 0.08 H HETATM 1916 H27 ALA A 10 24.418 -11.456 -7.061 1.00 0.19 H HETATM 1917 H22 ALA A 10 22.791 -12.516 -5.782 1.00 0.08 H HETATM 1918 H21 ALA A 10 21.974 -15.182 -6.833 1.00 0.19 H HETATM 1919 CB ALA A 10 18.802 -14.799 -6.801 1.00 -0.01 C HETATM 1920 CG ALA A 10 17.674 -15.784 -7.042 1.00 -0.02 C HETATM 1921 CD ALA A 10 16.737 -15.257 -8.116 1.00 0.06 C HETATM 1922 NE ALA A 10 15.993 -14.081 -7.672 1.00 -0.27 N HETATM 1923 CZ ALA A 10 15.603 -13.092 -8.472 1.00 0.29 C HETATM 1924 NH1 ALA A 10 15.856 -13.145 -9.774 1.00 -0.28 N HETATM 1925 H17 ALA A 10 15.552 -12.377 -10.389 1.00 0.26 H HETATM 1926 H18 ALA A 10 16.356 -13.954 -10.169 1.00 0.26 H HETATM 1927 NH2 ALA A 10 14.927 -12.065 -7.975 1.00 -0.28 N HETATM 1928 H19 ALA A 10 14.728 -12.019 -6.965 1.00 0.26 H HETATM 1929 H20 ALA A 10 14.601 -11.313 -8.599 1.00 0.26 H HETATM 1930 H16 ALA A 10 15.754 -14.013 -6.672 1.00 0.26 H HETATM 1931 H14 ALA A 10 16.021 -16.049 -8.381 1.00 0.07 H HETATM 1932 H15 ALA A 10 17.330 -14.987 -9.002 1.00 0.07 H HETATM 1933 H12 ALA A 10 17.111 -15.928 -6.108 1.00 0.03 H HETATM 1934 H13 ALA A 10 18.096 -16.746 -7.368 1.00 0.03 H HETATM 1935 H10 ALA A 10 19.401 -14.736 -7.722 1.00 0.03 H HETATM 1936 H11 ALA A 10 18.355 -13.817 -6.586 1.00 0.03 H HETATM 1937 H9 ALA A 10 20.204 -16.128 -5.864 1.00 0.08 H HETATM 1938 H8 ALA A 10 18.094 -14.866 -4.323 1.00 0.19 H HETATM 1939 CB ALA A 10 19.031 -14.862 -1.118 1.00 -0.00 C HETATM 1940 H5 ALA A 10 18.942 -13.886 -1.616 1.00 0.03 H HETATM 1941 H6 ALA A 10 20.068 -15.008 -0.782 1.00 0.03 H HETATM 1942 H7 ALA A 10 18.356 -14.894 -0.250 1.00 0.03 H HETATM 1943 H4 ALA A 10 17.606 -15.819 -2.397 1.00 0.11 H HETATM 1944 H1 ALA A 10 18.181 -17.296 -0.632 1.00 0.20 H HETATM 1945 H2 ALA A 10 19.724 -17.437 -1.188 1.00 0.20 H HETATM 1946 H3 ALA A 10 18.468 -17.991 -2.096 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 95 94 1764 CONECT 120 119 1764 CONECT 217 216 1765 CONECT 242 241 1765 CONECT 294 293 296 1764 CONECT 325 324 1764 CONECT 457 456 1765 CONECT 485 484 1765 CONECT 592 593 596 597 598 CONECT 596 592 CONECT 597 592 CONECT 598 592 CONECT 1015 1016 1019 1020 1021 CONECT 1019 1015 CONECT 1020 1015 CONECT 1021 1015 CONECT 1764 95 120 294 325 CONECT 1765 217 242 457 485 CONECT 1773 1774 1944 1945 1946 CONECT 1774 1773 1775 1939 1943 CONECT 1775 1774 1776 1777 CONECT 1776 1775 CONECT 1777 1775 1778 1938 CONECT 1778 1777 1779 1919 1937 CONECT 1779 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 1782 1918 CONECT 1782 1781 1783 1794 1917 CONECT 1783 1782 1784 1788 1793 CONECT 1784 1783 1785 1786 1787 CONECT 1785 1784 CONECT 1786 1784 CONECT 1787 1784 CONECT 1788 1783 1789 CONECT 1789 1788 1790 1791 1792 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1789 CONECT 1793 1783 CONECT 1794 1782 1795 1796 CONECT 1795 1794 CONECT 1796 1794 1797 1916 CONECT 1797 1796 1798 1899 1915 CONECT 1798 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 1801 1898 CONECT 1801 1800 1802 1886 1897 CONECT 1802 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 1805 1885 CONECT 1805 1804 1806 1876 1884 CONECT 1806 1805 1807 1808 CONECT 1807 1806 CONECT 1808 1806 1809 1875 CONECT 1809 1808 1810 1870 1874 CONECT 1810 1809 1811 1812 CONECT 1811 1810 CONECT 1812 1810 1813 1869 CONECT 1813 1812 1814 1850 1868 CONECT 1814 1813 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 1849 CONECT 1817 1816 1818 1832 1848 CONECT 1818 1817 1819 1820 CONECT 1819 1818 CONECT 1820 1818 1821 1831 CONECT 1821 1820 1822 1825 1830 CONECT 1822 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 CONECT 1825 1821 1826 1828 1829 CONECT 1826 1825 1827 CONECT 1827 1826 CONECT 1828 1825 CONECT 1829 1825 CONECT 1830 1821 CONECT 1831 1820 CONECT 1832 1817 1833 1846 1847 CONECT 1833 1832 1834 1844 1845 CONECT 1834 1833 1835 1842 1843 CONECT 1835 1834 1836 1840 1841 CONECT 1836 1835 1837 1838 1839 CONECT 1837 1836 CONECT 1838 1836 CONECT 1839 1836 CONECT 1840 1835 CONECT 1841 1835 CONECT 1842 1834 CONECT 1843 1834 CONECT 1844 1833 CONECT 1845 1833 CONECT 1846 1832 CONECT 1847 1832 CONECT 1848 1817 CONECT 1849 1816 CONECT 1850 1813 1851 1866 1867 CONECT 1851 1850 1852 1864 1865 CONECT 1852 1851 1853 1862 1863 CONECT 1853 1852 1854 1861 CONECT 1854 1853 1855 1858 CONECT 1855 1854 1856 1857 CONECT 1856 1855 CONECT 1857 1855 CONECT 1858 1854 1859 1860 CONECT 1859 1858 CONECT 1860 1858 CONECT 1861 1853 CONECT 1862 1852 CONECT 1863 1852 CONECT 1864 1851 CONECT 1865 1851 CONECT 1866 1850 CONECT 1867 1850 CONECT 1868 1813 CONECT 1869 1812 CONECT 1870 1809 1871 1872 1873 CONECT 1871 1870 CONECT 1872 1870 CONECT 1873 1870 CONECT 1874 1809 CONECT 1875 1808 CONECT 1876 1805 1877 1879 1883 CONECT 1877 1876 1878 CONECT 1878 1877 CONECT 1879 1876 1880 1881 1882 CONECT 1880 1879 CONECT 1881 1879 CONECT 1882 1879 CONECT 1883 1876 CONECT 1884 1805 CONECT 1885 1804 CONECT 1886 1801 1887 1895 1896 CONECT 1887 1886 1888 1893 1894 CONECT 1888 1887 1889 1890 CONECT 1889 1888 CONECT 1890 1888 1891 1892 CONECT 1891 1890 CONECT 1892 1890 CONECT 1893 1887 CONECT 1894 1887 CONECT 1895 1886 CONECT 1896 1886 CONECT 1897 1801 CONECT 1898 1800 CONECT 1899 1797 1900 1913 1914 CONECT 1900 1899 1901 1911 1912 CONECT 1901 1900 1902 1909 1910 CONECT 1902 1901 1903 1907 1908 CONECT 1903 1902 1904 1905 1906 CONECT 1904 1903 CONECT 1905 1903 CONECT 1906 1903 CONECT 1907 1902 CONECT 1908 1902 CONECT 1909 1901 CONECT 1910 1901 CONECT 1911 1900 CONECT 1912 1900 CONECT 1913 1899 CONECT 1914 1899 CONECT 1915 1797 CONECT 1916 1796 CONECT 1917 1782 CONECT 1918 1781 CONECT 1919 1778 1920 1935 1936 CONECT 1920 1919 1921 1933 1934 CONECT 1921 1920 1922 1931 1932 CONECT 1922 1921 1923 1930 CONECT 1923 1922 1924 1927 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1923 1928 1929 CONECT 1928 1927 CONECT 1929 1927 CONECT 1930 1922 CONECT 1931 1921 CONECT 1932 1921 CONECT 1933 1920 CONECT 1934 1920 CONECT 1935 1919 CONECT 1936 1919 CONECT 1937 1778 CONECT 1938 1777 CONECT 1939 1774 1940 1941 1942 CONECT 1940 1939 CONECT 1941 1939 CONECT 1942 1939 CONECT 1943 1774 CONECT 1944 1773 CONECT 1945 1773 CONECT 1946 1773 MASTER 0 0 0 0 0 0 0 0 1943 3 196 15 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5fb0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
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
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5fb0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nuclear autoantigen Sp100C PHD-Bromo
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=3.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 12786-12798
Ligand Properties
Formula
C
4
6
H
9
4
N
1
9
O
1
8
P
Molecular Weight
1232.330
Exact Mass
1231.680
No. of atoms
178
No. of bonds
177
Polar Surface Area
681.2
LOGP Value
-10.04 (
Computed with XLOGP3
)
-9.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[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)N[C@H](C(=O)O)CO)CCCC[NH3+])CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H90N19O18P/c1-22(49)35(69)58-29(14-10-20-56-46(53)54)40(74)65-34(25(4)83-84(80,81)82)43(77)62-27(12-6-8-18-48)37(71)61-30(15-16-32(50)68)41(75)64-33(24(3)67)42(76)57-23(2)36(70)59-28(13-9-19-55-45(51)52)38(72)60-26(11-5-7-17-47)39(73)63-31(21-66)44(78)79/h22-31,33-34,66-67,80-82,84H,5-21,47-49H2,1-4H3,(H2,50,68)(H,57,76)(H,58,69)(H,59,70)(H,60,72)(H,61,71)(H,62,77)(H,63,73)(H,64,75)(H,65,74)(H,78,79)(H4,51,52,55)(H4,53,54,56)/p+5/t22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,33-,34-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P23497
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
6672
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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