Browse entries in the PDBbind-CN Database
HEADER 2KHH_COMPLEX COMPND 2KHH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 ARG LEU ASN PRO VAL GLN LEU GLU LEU LEU ASN LYS LEU SEQRES 2 A 57 HIS LEU GLU THR LYS LEU ASN ALA GLU TYR THR PHE MET SEQRES 3 A 57 LEU ALA GLU GLN SER ASN TRP ASN TYR GLU VAL ALA ILE SEQRES 4 A 57 LYS GLY PHE GLN SER SER MET ASN GLY ILE PRO ARG GLU SEQRES 5 A 57 ALA PHE VAL GLN PHE HET ASP A 58 124 ATOM 1 N ARG A 543 4.302 -40.049 -0.270 1.00 0.00 N ATOM 2 CA ARG A 543 3.112 -40.738 -0.844 1.00 0.00 C ATOM 3 C ARG A 543 1.894 -39.826 -0.728 1.00 0.00 C ATOM 4 O ARG A 543 2.027 -38.623 -0.508 1.00 0.00 O ATOM 5 CB ARG A 543 2.866 -42.043 -0.082 1.00 0.00 C ATOM 6 CG ARG A 543 2.934 -41.778 1.424 1.00 0.00 C ATOM 7 CD ARG A 543 2.295 -42.945 2.180 1.00 0.00 C ATOM 8 NE ARG A 543 2.685 -42.911 3.586 1.00 0.00 N ATOM 9 CZ ARG A 543 3.809 -43.485 4.004 1.00 0.00 C ATOM 10 NH1 ARG A 543 4.589 -44.091 3.151 1.00 0.00 N ATOM 11 NH2 ARG A 543 4.133 -43.443 5.267 1.00 0.00 N ATOM 12 HA ARG A 543 3.288 -40.966 -1.895 1.00 0.00 H ATOM 13 HB2 ARG A 543 1.881 -42.433 -0.338 1.00 0.00 H ATOM 14 HB3 ARG A 543 3.627 -42.773 -0.357 1.00 0.00 H ATOM 15 HG2 ARG A 543 3.976 -41.675 1.728 1.00 0.00 H ATOM 16 HG3 ARG A 543 2.397 -40.858 1.655 1.00 0.00 H ATOM 17 HD2 ARG A 543 2.625 -43.885 1.737 1.00 0.00 H ATOM 18 HD3 ARG A 543 1.210 -42.871 2.105 1.00 0.00 H ATOM 19 HE ARG A 543 2.072 -42.429 4.274 1.00 0.00 H ATOM 20 HH12 ARG A 543 5.468 -44.540 3.478 1.00 0.00 H ATOM 21 HH11 ARG A 543 4.331 -44.125 2.144 1.00 0.00 H ATOM 22 HH22 ARG A 543 5.012 -43.892 5.593 1.00 0.00 H ATOM 23 HH21 ARG A 543 3.512 -42.960 5.947 1.00 0.00 H ATOM 24 HN3 ARG A 543 4.125 -39.830 0.731 1.00 0.00 H ATOM 25 HN2 ARG A 543 4.476 -39.167 -0.793 1.00 0.00 H ATOM 26 HN1 ARG A 543 5.132 -40.670 -0.349 1.00 0.00 H ATOM 27 N LEU A 544 0.708 -40.408 -0.880 1.00 0.00 N ATOM 28 CA LEU A 544 -0.530 -39.640 -0.792 1.00 0.00 C ATOM 29 C LEU A 544 -0.601 -38.613 -1.917 1.00 0.00 C ATOM 30 O LEU A 544 0.425 -38.211 -2.467 1.00 0.00 O ATOM 31 CB LEU A 544 -0.609 -38.928 0.565 1.00 0.00 C ATOM 32 CG LEU A 544 -2.048 -38.476 0.844 1.00 0.00 C ATOM 33 CD1 LEU A 544 -2.980 -39.688 0.905 1.00 0.00 C ATOM 34 CD2 LEU A 544 -2.090 -37.731 2.181 1.00 0.00 C ATOM 35 HA LEU A 544 -1.372 -40.326 -0.889 1.00 0.00 H ATOM 36 HB2 LEU A 544 -0.288 -39.612 1.350 1.00 0.00 H ATOM 37 HB3 LEU A 544 0.046 -38.057 0.554 1.00 0.00 H ATOM 38 HG LEU A 544 -2.379 -37.817 0.041 1.00 0.00 H ATOM 39 HD21 LEU A 544 -1.753 -38.396 2.977 1.00 0.00 H ATOM 40 HD22 LEU A 544 -1.435 -36.861 2.131 1.00 0.00 H ATOM 41 HD23 LEU A 544 -3.111 -37.408 2.383 1.00 0.00 H ATOM 42 HD11 LEU A 544 -2.950 -40.216 -0.048 1.00 0.00 H ATOM 43 HD12 LEU A 544 -2.654 -40.356 1.703 1.00 0.00 H ATOM 44 HD13 LEU A 544 -3.998 -39.352 1.104 1.00 0.00 H ATOM 45 H LEU A 544 0.662 -41.430 -1.065 1.00 0.00 H ATOM 46 N ASN A 545 -1.816 -38.187 -2.254 1.00 0.00 N ATOM 47 CA ASN A 545 -1.999 -37.201 -3.317 1.00 0.00 C ATOM 48 C ASN A 545 -2.117 -35.799 -2.712 1.00 0.00 C ATOM 49 O ASN A 545 -2.886 -35.589 -1.775 1.00 0.00 O ATOM 50 CB ASN A 545 -3.261 -37.530 -4.131 1.00 0.00 C ATOM 51 CG ASN A 545 -3.015 -37.275 -5.615 1.00 0.00 C ATOM 52 OD1 ASN A 545 -2.824 -38.216 -6.385 1.00 0.00 O ATOM 53 ND2 ASN A 545 -3.010 -36.050 -6.061 1.00 0.00 N ATOM 54 HA ASN A 545 -1.135 -37.231 -3.980 1.00 0.00 H ATOM 55 HB2 ASN A 545 -3.521 -38.578 -3.984 1.00 0.00 H ATOM 56 HB3 ASN A 545 -4.084 -36.902 -3.789 1.00 0.00 H ATOM 57 HD22 ASN A 545 -3.172 -35.258 -5.407 1.00 0.00 H ATOM 58 HD21 ASN A 545 -2.844 -35.865 -7.071 1.00 0.00 H ATOM 59 H ASN A 545 -2.647 -38.561 -1.754 1.00 0.00 H ATOM 60 N PRO A 546 -1.376 -34.842 -3.212 1.00 0.00 N ATOM 61 CA PRO A 546 -1.419 -33.454 -2.683 1.00 0.00 C ATOM 62 C PRO A 546 -2.833 -33.016 -2.307 1.00 0.00 C ATOM 63 O PRO A 546 -3.014 -32.147 -1.454 1.00 0.00 O ATOM 64 CB PRO A 546 -0.866 -32.620 -3.837 1.00 0.00 C ATOM 65 CG PRO A 546 0.080 -33.530 -4.555 1.00 0.00 C ATOM 66 CD PRO A 546 -0.420 -34.964 -4.328 1.00 0.00 C ATOM 67 HA PRO A 546 -0.849 -33.346 -1.760 1.00 0.00 H ATOM 68 HD3 PRO A 546 -0.914 -35.347 -5.221 1.00 0.00 H ATOM 69 HD2 PRO A 546 0.405 -35.624 -4.060 1.00 0.00 H ATOM 70 HG3 PRO A 546 1.087 -33.416 -4.154 1.00 0.00 H ATOM 71 HG2 PRO A 546 0.086 -33.299 -5.620 1.00 0.00 H ATOM 72 HB2 PRO A 546 -1.670 -32.303 -4.500 1.00 0.00 H ATOM 73 HB3 PRO A 546 -0.341 -31.743 -3.459 1.00 0.00 H ATOM 74 N VAL A 547 -3.834 -33.628 -2.934 1.00 0.00 N ATOM 75 CA VAL A 547 -5.218 -33.286 -2.632 1.00 0.00 C ATOM 76 C VAL A 547 -5.599 -33.881 -1.287 1.00 0.00 C ATOM 77 O VAL A 547 -6.062 -33.179 -0.386 1.00 0.00 O ATOM 78 CB VAL A 547 -6.160 -33.823 -3.720 1.00 0.00 C ATOM 79 CG1 VAL A 547 -7.273 -32.806 -3.989 1.00 0.00 C ATOM 80 CG2 VAL A 547 -5.371 -34.064 -5.010 1.00 0.00 C ATOM 81 HA VAL A 547 -5.313 -32.201 -2.598 1.00 0.00 H ATOM 82 HB VAL A 547 -6.600 -34.761 -3.381 1.00 0.00 H ATOM 83 HG11 VAL A 547 -7.838 -32.637 -3.073 1.00 0.00 H ATOM 84 HG12 VAL A 547 -6.832 -31.867 -4.324 1.00 0.00 H ATOM 85 HG13 VAL A 547 -7.938 -33.193 -4.761 1.00 0.00 H ATOM 86 HG21 VAL A 547 -4.928 -33.126 -5.344 1.00 0.00 H ATOM 87 HG22 VAL A 547 -4.582 -34.792 -4.821 1.00 0.00 H ATOM 88 HG23 VAL A 547 -6.043 -34.445 -5.779 1.00 0.00 H ATOM 89 H VAL A 547 -3.627 -34.357 -3.646 1.00 0.00 H ATOM 90 N GLN A 548 -5.384 -35.184 -1.155 1.00 0.00 N ATOM 91 CA GLN A 548 -5.692 -35.866 0.090 1.00 0.00 C ATOM 92 C GLN A 548 -4.840 -35.275 1.207 1.00 0.00 C ATOM 93 O GLN A 548 -5.304 -35.106 2.331 1.00 0.00 O ATOM 94 CB GLN A 548 -5.435 -37.378 -0.035 1.00 0.00 C ATOM 95 CG GLN A 548 -5.101 -37.744 -1.484 1.00 0.00 C ATOM 96 CD GLN A 548 -5.302 -39.239 -1.706 1.00 0.00 C ATOM 97 OE1 GLN A 548 -4.404 -39.920 -2.203 1.00 0.00 O ATOM 98 NE2 GLN A 548 -6.433 -39.794 -1.366 1.00 0.00 N ATOM 99 HA GLN A 548 -6.748 -35.725 0.321 1.00 0.00 H ATOM 100 HB2 GLN A 548 -4.599 -37.655 0.608 1.00 0.00 H ATOM 101 HB3 GLN A 548 -6.327 -37.921 0.277 1.00 0.00 H ATOM 102 HG2 GLN A 548 -5.754 -37.188 -2.156 1.00 0.00 H ATOM 103 HG3 GLN A 548 -4.063 -37.485 -1.692 1.00 0.00 H ATOM 104 HE22 GLN A 548 -7.190 -39.217 -0.947 1.00 0.00 H ATOM 105 HE21 GLN A 548 -6.577 -40.813 -1.515 1.00 0.00 H ATOM 106 H GLN A 548 -4.990 -35.723 -1.952 1.00 0.00 H ATOM 107 N LEU A 549 -3.594 -34.943 0.879 1.00 0.00 N ATOM 108 CA LEU A 549 -2.692 -34.350 1.857 1.00 0.00 C ATOM 109 C LEU A 549 -3.296 -33.050 2.377 1.00 0.00 C ATOM 110 O LEU A 549 -3.478 -32.873 3.584 1.00 0.00 O ATOM 111 CB LEU A 549 -1.326 -34.087 1.208 1.00 0.00 C ATOM 112 CG LEU A 549 -0.355 -33.407 2.194 1.00 0.00 C ATOM 113 CD1 LEU A 549 -0.720 -31.926 2.383 1.00 0.00 C ATOM 114 CD2 LEU A 549 -0.394 -34.123 3.550 1.00 0.00 C ATOM 115 HA LEU A 549 -2.553 -35.035 2.693 1.00 0.00 H ATOM 116 HB2 LEU A 549 -0.898 -35.036 0.886 1.00 0.00 H ATOM 117 HB3 LEU A 549 -1.463 -33.439 0.342 1.00 0.00 H ATOM 118 HG LEU A 549 0.651 -33.470 1.780 1.00 0.00 H ATOM 119 HD21 LEU A 549 -1.405 -34.078 3.954 1.00 0.00 H ATOM 120 HD22 LEU A 549 -0.100 -35.164 3.418 1.00 0.00 H ATOM 121 HD23 LEU A 549 0.296 -33.634 4.238 1.00 0.00 H ATOM 122 HD11 LEU A 549 -0.663 -31.414 1.423 1.00 0.00 H ATOM 123 HD12 LEU A 549 -1.733 -31.850 2.777 1.00 0.00 H ATOM 124 HD13 LEU A 549 -0.021 -31.467 3.083 1.00 0.00 H ATOM 125 H LEU A 549 -3.259 -35.110 -0.091 1.00 0.00 H ATOM 126 N GLU A 550 -3.627 -32.149 1.456 1.00 0.00 N ATOM 127 CA GLU A 550 -4.233 -30.883 1.842 1.00 0.00 C ATOM 128 C GLU A 550 -5.418 -31.157 2.756 1.00 0.00 C ATOM 129 O GLU A 550 -5.611 -30.481 3.767 1.00 0.00 O ATOM 130 CB GLU A 550 -4.701 -30.119 0.602 1.00 0.00 C ATOM 131 CG GLU A 550 -3.497 -29.480 -0.091 1.00 0.00 C ATOM 132 CD GLU A 550 -2.996 -28.292 0.723 1.00 0.00 C ATOM 133 OE1 GLU A 550 -3.478 -27.196 0.493 1.00 0.00 O ATOM 134 OE2 GLU A 550 -2.137 -28.497 1.565 1.00 0.00 O ATOM 135 HA GLU A 550 -3.495 -30.276 2.366 1.00 0.00 H ATOM 136 HB2 GLU A 550 -5.192 -30.808 -0.085 1.00 0.00 H ATOM 137 HB3 GLU A 550 -5.404 -29.341 0.899 1.00 0.00 H ATOM 138 HG2 GLU A 550 -2.699 -30.217 -0.182 1.00 0.00 H ATOM 139 HG3 GLU A 550 -3.791 -29.139 -1.084 1.00 0.00 H ATOM 140 H GLU A 550 -3.451 -32.351 0.451 1.00 0.00 H ATOM 141 N LEU A 551 -6.200 -32.172 2.401 1.00 0.00 N ATOM 142 CA LEU A 551 -7.349 -32.543 3.209 1.00 0.00 C ATOM 143 C LEU A 551 -6.881 -32.844 4.632 1.00 0.00 C ATOM 144 O LEU A 551 -7.451 -32.340 5.599 1.00 0.00 O ATOM 145 CB LEU A 551 -8.059 -33.756 2.580 1.00 0.00 C ATOM 146 CG LEU A 551 -8.818 -34.563 3.644 1.00 0.00 C ATOM 147 CD1 LEU A 551 -9.833 -33.663 4.366 1.00 0.00 C ATOM 148 CD2 LEU A 551 -9.557 -35.719 2.960 1.00 0.00 C ATOM 149 HA LEU A 551 -8.065 -31.722 3.246 1.00 0.00 H ATOM 150 HB2 LEU A 551 -8.765 -33.405 1.827 1.00 0.00 H ATOM 151 HB3 LEU A 551 -7.316 -34.399 2.108 1.00 0.00 H ATOM 152 HG LEU A 551 -8.110 -34.953 4.375 1.00 0.00 H ATOM 153 HD21 LEU A 551 -10.261 -35.318 2.231 1.00 0.00 H ATOM 154 HD22 LEU A 551 -8.836 -36.362 2.455 1.00 0.00 H ATOM 155 HD23 LEU A 551 -10.098 -36.297 3.709 1.00 0.00 H ATOM 156 HD11 LEU A 551 -9.307 -32.839 4.849 1.00 0.00 H ATOM 157 HD12 LEU A 551 -10.545 -33.267 3.642 1.00 0.00 H ATOM 158 HD13 LEU A 551 -10.364 -34.247 5.118 1.00 0.00 H ATOM 159 H LEU A 551 -5.987 -32.707 1.535 1.00 0.00 H ATOM 160 N LEU A 552 -5.820 -33.644 4.756 1.00 0.00 N ATOM 161 CA LEU A 552 -5.287 -33.962 6.077 1.00 0.00 C ATOM 162 C LEU A 552 -5.036 -32.672 6.844 1.00 0.00 C ATOM 163 O LEU A 552 -5.362 -32.565 8.026 1.00 0.00 O ATOM 164 CB LEU A 552 -3.966 -34.740 5.976 1.00 0.00 C ATOM 165 CG LEU A 552 -4.128 -35.994 5.109 1.00 0.00 C ATOM 166 CD1 LEU A 552 -2.909 -36.901 5.295 1.00 0.00 C ATOM 167 CD2 LEU A 552 -5.386 -36.759 5.517 1.00 0.00 C ATOM 168 HA LEU A 552 -6.019 -34.582 6.595 1.00 0.00 H ATOM 169 HB2 LEU A 552 -3.206 -34.096 5.533 1.00 0.00 H ATOM 170 HB3 LEU A 552 -3.650 -35.037 6.976 1.00 0.00 H ATOM 171 HG LEU A 552 -4.214 -35.693 4.065 1.00 0.00 H ATOM 172 HD21 LEU A 552 -5.306 -37.056 6.563 1.00 0.00 H ATOM 173 HD22 LEU A 552 -6.258 -36.118 5.385 1.00 0.00 H ATOM 174 HD23 LEU A 552 -5.488 -37.647 4.893 1.00 0.00 H ATOM 175 HD11 LEU A 552 -2.009 -36.364 4.995 1.00 0.00 H ATOM 176 HD12 LEU A 552 -2.829 -37.190 6.343 1.00 0.00 H ATOM 177 HD13 LEU A 552 -3.024 -37.793 4.679 1.00 0.00 H ATOM 178 H LEU A 552 -5.371 -34.043 3.907 1.00 0.00 H ATOM 179 N ASN A 553 -4.451 -31.692 6.160 1.00 0.00 N ATOM 180 CA ASN A 553 -4.161 -30.410 6.790 1.00 0.00 C ATOM 181 C ASN A 553 -5.436 -29.786 7.344 1.00 0.00 C ATOM 182 O ASN A 553 -5.501 -29.425 8.518 1.00 0.00 O ATOM 183 CB ASN A 553 -3.519 -29.455 5.781 1.00 0.00 C ATOM 184 CG ASN A 553 -2.363 -30.149 5.069 1.00 0.00 C ATOM 185 OD1 ASN A 553 -1.885 -29.665 4.043 1.00 0.00 O ATOM 186 ND2 ASN A 553 -1.882 -31.260 5.556 1.00 0.00 N ATOM 187 HA ASN A 553 -3.466 -30.584 7.611 1.00 0.00 H ATOM 188 HB2 ASN A 553 -4.265 -29.150 5.047 1.00 0.00 H ATOM 189 HB3 ASN A 553 -3.145 -28.575 6.304 1.00 0.00 H ATOM 190 HD22 ASN A 553 -2.288 -31.666 6.423 1.00 0.00 H ATOM 191 HD21 ASN A 553 -1.093 -31.739 5.077 1.00 0.00 H ATOM 192 H ASN A 553 -4.197 -31.843 5.163 1.00 0.00 H ATOM 193 N LYS A 554 -6.461 -29.683 6.505 1.00 0.00 N ATOM 194 CA LYS A 554 -7.722 -29.120 6.947 1.00 0.00 C ATOM 195 C LYS A 554 -8.245 -29.970 8.080 1.00 0.00 C ATOM 196 O LYS A 554 -8.807 -29.468 9.056 1.00 0.00 O ATOM 197 CB LYS A 554 -8.732 -29.103 5.787 1.00 0.00 C ATOM 198 CG LYS A 554 -8.814 -27.697 5.161 1.00 0.00 C ATOM 199 CD LYS A 554 -10.003 -26.928 5.751 1.00 0.00 C ATOM 200 CE LYS A 554 -9.798 -26.725 7.255 1.00 0.00 C ATOM 201 NZ LYS A 554 -10.911 -25.898 7.800 1.00 0.00 N ATOM 202 HA LYS A 554 -7.576 -28.094 7.284 1.00 0.00 H ATOM 203 HB2 LYS A 554 -8.416 -29.817 5.026 1.00 0.00 H ATOM 204 HB3 LYS A 554 -9.715 -29.386 6.163 1.00 0.00 H ATOM 205 HG2 LYS A 554 -7.893 -27.154 5.371 1.00 0.00 H ATOM 206 HG3 LYS A 554 -8.943 -27.789 4.082 1.00 0.00 H ATOM 207 HD2 LYS A 554 -10.084 -25.957 5.263 1.00 0.00 H ATOM 208 HD3 LYS A 554 -10.919 -27.495 5.584 1.00 0.00 H ATOM 209 HE2 LYS A 554 -8.849 -26.217 7.428 1.00 0.00 H ATOM 210 HE3 LYS A 554 -9.786 -27.694 7.755 1.00 0.00 H ATOM 211 HZ1 LYS A 554 -10.921 -24.974 7.323 1.00 0.00 H ATOM 212 HZ2 LYS A 554 -11.815 -26.384 7.635 1.00 0.00 H ATOM 213 HZ3 LYS A 554 -10.771 -25.761 8.821 1.00 0.00 H ATOM 214 H LYS A 554 -6.358 -30.009 5.523 1.00 0.00 H ATOM 215 N LEU A 555 -8.040 -31.267 7.944 1.00 0.00 N ATOM 216 CA LEU A 555 -8.484 -32.186 8.958 1.00 0.00 C ATOM 217 C LEU A 555 -7.671 -31.988 10.237 1.00 0.00 C ATOM 218 O LEU A 555 -8.216 -32.024 11.336 1.00 0.00 O ATOM 219 CB LEU A 555 -8.365 -33.628 8.445 1.00 0.00 C ATOM 220 CG LEU A 555 -9.570 -34.465 8.900 1.00 0.00 C ATOM 221 CD1 LEU A 555 -10.837 -34.041 8.151 1.00 0.00 C ATOM 222 CD2 LEU A 555 -9.281 -35.942 8.621 1.00 0.00 C ATOM 223 HA LEU A 555 -9.531 -31.991 9.189 1.00 0.00 H ATOM 224 HB2 LEU A 555 -8.326 -33.619 7.356 1.00 0.00 H ATOM 225 HB3 LEU A 555 -7.451 -34.074 8.837 1.00 0.00 H ATOM 226 HG LEU A 555 -9.731 -34.307 9.966 1.00 0.00 H ATOM 227 HD21 LEU A 555 -9.116 -36.083 7.553 1.00 0.00 H ATOM 228 HD22 LEU A 555 -8.391 -36.247 9.171 1.00 0.00 H ATOM 229 HD23 LEU A 555 -10.131 -36.544 8.941 1.00 0.00 H ATOM 230 HD11 LEU A 555 -11.042 -32.989 8.352 1.00 0.00 H ATOM 231 HD12 LEU A 555 -10.690 -34.186 7.081 1.00 0.00 H ATOM 232 HD13 LEU A 555 -11.677 -34.647 8.489 1.00 0.00 H ATOM 233 H LEU A 555 -7.554 -31.627 7.098 1.00 0.00 H ATOM 234 N HIS A 556 -6.369 -31.747 10.097 1.00 0.00 N ATOM 235 CA HIS A 556 -5.535 -31.523 11.270 1.00 0.00 C ATOM 236 C HIS A 556 -5.668 -30.083 11.729 1.00 0.00 C ATOM 237 O HIS A 556 -5.126 -29.702 12.760 1.00 0.00 O ATOM 238 CB HIS A 556 -4.064 -31.820 10.980 1.00 0.00 C ATOM 239 CG HIS A 556 -3.275 -31.595 12.243 1.00 0.00 C ATOM 240 ND1 HIS A 556 -2.505 -30.459 12.442 1.00 0.00 N ATOM 241 CD2 HIS A 556 -3.155 -32.335 13.395 1.00 0.00 C ATOM 242 CE1 HIS A 556 -1.963 -30.547 13.673 1.00 0.00 C ATOM 243 NE2 HIS A 556 -2.329 -31.670 14.298 1.00 0.00 N ATOM 244 HA HIS A 556 -5.876 -32.202 12.052 1.00 0.00 H ATOM 245 HB2 HIS A 556 -3.954 -32.855 10.656 1.00 0.00 H ATOM 246 HB3 HIS A 556 -3.702 -31.155 10.196 1.00 0.00 H ATOM 247 HD2 HIS A 556 -3.634 -33.297 13.575 1.00 0.00 H ATOM 248 HE1 HIS A 556 -1.306 -29.793 14.106 1.00 0.00 H ATOM 249 H HIS A 556 -5.946 -31.719 9.147 1.00 0.00 H ATOM 250 N LEU A 557 -6.391 -29.281 10.950 1.00 0.00 N ATOM 251 CA LEU A 557 -6.591 -27.879 11.295 1.00 0.00 C ATOM 252 C LEU A 557 -8.050 -27.639 11.674 1.00 0.00 C ATOM 253 O LEU A 557 -8.411 -26.557 12.136 1.00 0.00 O ATOM 254 CB LEU A 557 -6.193 -26.971 10.121 1.00 0.00 C ATOM 255 CG LEU A 557 -4.696 -26.615 10.189 1.00 0.00 C ATOM 256 CD1 LEU A 557 -4.479 -25.458 11.172 1.00 0.00 C ATOM 257 CD2 LEU A 557 -3.876 -27.832 10.641 1.00 0.00 C ATOM 258 HA LEU A 557 -5.957 -27.637 12.148 1.00 0.00 H ATOM 259 HB2 LEU A 557 -6.395 -27.489 9.184 1.00 0.00 H ATOM 260 HB3 LEU A 557 -6.781 -26.054 10.162 1.00 0.00 H ATOM 261 HG LEU A 557 -4.365 -26.315 9.195 1.00 0.00 H ATOM 262 HD21 LEU A 557 -4.211 -28.148 11.629 1.00 0.00 H ATOM 263 HD22 LEU A 557 -4.016 -28.647 9.931 1.00 0.00 H ATOM 264 HD23 LEU A 557 -2.821 -27.562 10.683 1.00 0.00 H ATOM 265 HD11 LEU A 557 -5.042 -24.587 10.836 1.00 0.00 H ATOM 266 HD12 LEU A 557 -4.824 -25.755 12.162 1.00 0.00 H ATOM 267 HD13 LEU A 557 -3.418 -25.213 11.214 1.00 0.00 H ATOM 268 H LEU A 557 -6.820 -29.661 10.082 1.00 0.00 H ATOM 269 N GLU A 558 -8.880 -28.664 11.487 1.00 0.00 N ATOM 270 CA GLU A 558 -10.298 -28.564 11.826 1.00 0.00 C ATOM 271 C GLU A 558 -10.613 -29.463 13.016 1.00 0.00 C ATOM 272 O GLU A 558 -11.271 -29.035 13.965 1.00 0.00 O ATOM 273 CB GLU A 558 -11.163 -28.957 10.624 1.00 0.00 C ATOM 274 CG GLU A 558 -12.608 -28.494 10.845 1.00 0.00 C ATOM 275 CD GLU A 558 -13.318 -28.344 9.504 1.00 0.00 C ATOM 276 OE1 GLU A 558 -12.812 -28.870 8.526 1.00 0.00 O ATOM 277 OE2 GLU A 558 -14.358 -27.706 9.474 1.00 0.00 O ATOM 278 HA GLU A 558 -10.523 -27.531 12.092 1.00 0.00 H ATOM 279 HB2 GLU A 558 -10.766 -28.487 9.724 1.00 0.00 H ATOM 280 HB3 GLU A 558 -11.145 -30.040 10.504 1.00 0.00 H ATOM 281 HG2 GLU A 558 -13.134 -29.230 11.452 1.00 0.00 H ATOM 282 HG3 GLU A 558 -12.605 -27.534 11.362 1.00 0.00 H ATOM 283 H GLU A 558 -8.512 -29.553 11.092 1.00 0.00 H ATOM 284 N THR A 559 -10.107 -30.696 12.985 1.00 0.00 N ATOM 285 CA THR A 559 -10.316 -31.612 14.106 1.00 0.00 C ATOM 286 C THR A 559 -9.054 -31.631 14.946 1.00 0.00 C ATOM 287 O THR A 559 -9.067 -32.017 16.113 1.00 0.00 O ATOM 288 CB THR A 559 -10.644 -33.051 13.659 1.00 0.00 C ATOM 289 OG1 THR A 559 -9.863 -33.946 14.425 1.00 0.00 O ATOM 290 CG2 THR A 559 -10.343 -33.281 12.180 1.00 0.00 C ATOM 291 HA THR A 559 -11.175 -31.252 14.672 1.00 0.00 H ATOM 292 HB THR A 559 -11.711 -33.216 13.811 1.00 0.00 H ATOM 293 HG1 THR A 559 -10.078 -33.832 15.385 1.00 0.00 H ATOM 294 HG23 THR A 559 -10.940 -32.596 11.578 1.00 0.00 H ATOM 295 HG21 THR A 559 -9.284 -33.102 11.994 1.00 0.00 H ATOM 296 HG22 THR A 559 -10.591 -34.309 11.916 1.00 0.00 H ATOM 297 H THR A 559 -9.560 -31.009 12.158 1.00 0.00 H ATOM 298 N LYS A 560 -7.964 -31.196 14.330 1.00 0.00 N ATOM 299 CA LYS A 560 -6.679 -31.138 15.004 1.00 0.00 C ATOM 300 C LYS A 560 -6.475 -32.349 15.912 1.00 0.00 C ATOM 301 O LYS A 560 -5.799 -32.248 16.931 1.00 0.00 O ATOM 302 CB LYS A 560 -6.599 -29.840 15.830 1.00 0.00 C ATOM 303 CG LYS A 560 -5.604 -28.861 15.195 1.00 0.00 C ATOM 304 CD LYS A 560 -5.312 -27.714 16.165 1.00 0.00 C ATOM 305 CE LYS A 560 -4.038 -26.987 15.728 1.00 0.00 C ATOM 306 NZ LYS A 560 -4.188 -26.528 14.318 1.00 0.00 N ATOM 307 HA LYS A 560 -5.890 -31.149 14.252 1.00 0.00 H ATOM 308 HB2 LYS A 560 -7.585 -29.377 15.867 1.00 0.00 H ATOM 309 HB3 LYS A 560 -6.272 -30.078 16.842 1.00 0.00 H ATOM 310 HG2 LYS A 560 -4.677 -29.386 14.965 1.00 0.00 H ATOM 311 HG3 LYS A 560 -6.029 -28.458 14.276 1.00 0.00 H ATOM 312 HD2 LYS A 560 -6.148 -27.015 16.163 1.00 0.00 H ATOM 313 HD3 LYS A 560 -5.176 -28.114 17.170 1.00 0.00 H ATOM 314 HE2 LYS A 560 -3.188 -27.666 15.801 1.00 0.00 H ATOM 315 HE3 LYS A 560 -3.870 -26.126 16.375 1.00 0.00 H ATOM 316 HZ1 LYS A 560 -4.348 -27.351 13.702 1.00 0.00 H ATOM 317 HZ2 LYS A 560 -4.999 -25.880 14.250 1.00 0.00 H ATOM 318 HZ3 LYS A 560 -3.322 -26.034 14.022 1.00 0.00 H ATOM 319 H LYS A 560 -8.031 -30.888 13.339 1.00 0.00 H ATOM 320 N LEU A 561 -7.044 -33.500 15.550 1.00 0.00 N ATOM 321 CA LEU A 561 -6.861 -34.680 16.386 1.00 0.00 C ATOM 322 C LEU A 561 -5.594 -35.425 15.990 1.00 0.00 C ATOM 323 O LEU A 561 -5.594 -36.635 15.821 1.00 0.00 O ATOM 324 CB LEU A 561 -8.087 -35.612 16.357 1.00 0.00 C ATOM 325 CG LEU A 561 -8.413 -36.106 14.931 1.00 0.00 C ATOM 326 CD1 LEU A 561 -7.609 -37.369 14.591 1.00 0.00 C ATOM 327 CD2 LEU A 561 -9.892 -36.468 14.848 1.00 0.00 C ATOM 328 HA LEU A 561 -6.753 -34.336 17.415 1.00 0.00 H ATOM 329 HB2 LEU A 561 -7.886 -36.476 16.990 1.00 0.00 H ATOM 330 HB3 LEU A 561 -8.949 -35.070 16.746 1.00 0.00 H ATOM 331 HG LEU A 561 -8.160 -35.308 14.233 1.00 0.00 H ATOM 332 HD21 LEU A 561 -10.113 -37.257 15.567 1.00 0.00 H ATOM 333 HD22 LEU A 561 -10.493 -35.588 15.076 1.00 0.00 H ATOM 334 HD23 LEU A 561 -10.123 -36.817 13.842 1.00 0.00 H ATOM 335 HD11 LEU A 561 -6.544 -37.147 14.650 1.00 0.00 H ATOM 336 HD12 LEU A 561 -7.857 -38.158 15.301 1.00 0.00 H ATOM 337 HD13 LEU A 561 -7.858 -37.696 13.581 1.00 0.00 H ATOM 338 H LEU A 561 -7.612 -33.555 14.681 1.00 0.00 H ATOM 339 N ASN A 562 -4.502 -34.680 15.889 1.00 0.00 N ATOM 340 CA ASN A 562 -3.207 -35.260 15.548 1.00 0.00 C ATOM 341 C ASN A 562 -3.214 -35.809 14.124 1.00 0.00 C ATOM 342 O ASN A 562 -4.033 -36.659 13.779 1.00 0.00 O ATOM 343 CB ASN A 562 -2.878 -36.379 16.532 1.00 0.00 C ATOM 344 CG ASN A 562 -1.410 -36.768 16.423 1.00 0.00 C ATOM 345 OD1 ASN A 562 -0.633 -36.091 15.750 1.00 0.00 O ATOM 346 ND2 ASN A 562 -0.985 -37.829 17.051 1.00 0.00 N ATOM 347 HA ASN A 562 -2.448 -34.480 15.609 1.00 0.00 H ATOM 348 HB2 ASN A 562 -3.085 -36.038 17.546 1.00 0.00 H ATOM 349 HB3 ASN A 562 -3.497 -37.248 16.309 1.00 0.00 H ATOM 350 HD22 ASN A 562 -1.646 -38.397 17.618 1.00 0.00 H ATOM 351 HD21 ASN A 562 0.015 -38.107 16.985 1.00 0.00 H ATOM 352 H ASN A 562 -4.570 -33.656 16.057 1.00 0.00 H ATOM 353 N ALA A 563 -2.294 -35.309 13.303 1.00 0.00 N ATOM 354 CA ALA A 563 -2.197 -35.742 11.912 1.00 0.00 C ATOM 355 C ALA A 563 -2.355 -37.252 11.788 1.00 0.00 C ATOM 356 O ALA A 563 -3.425 -37.736 11.424 1.00 0.00 O ATOM 357 CB ALA A 563 -0.850 -35.317 11.325 1.00 0.00 C ATOM 358 HA ALA A 563 -3.006 -35.267 11.357 1.00 0.00 H ATOM 359 HB1 ALA A 563 -0.762 -34.232 11.371 1.00 0.00 H ATOM 360 HB2 ALA A 563 -0.044 -35.773 11.900 1.00 0.00 H ATOM 361 HB3 ALA A 563 -0.788 -35.645 10.287 1.00 0.00 H ATOM 362 H ALA A 563 -1.629 -34.594 13.660 1.00 0.00 H ATOM 363 N GLU A 564 -1.286 -37.993 12.081 1.00 0.00 N ATOM 364 CA GLU A 564 -1.328 -39.454 11.989 1.00 0.00 C ATOM 365 C GLU A 564 -2.754 -39.956 12.190 1.00 0.00 C ATOM 366 O GLU A 564 -3.323 -40.631 11.326 1.00 0.00 O ATOM 367 CB GLU A 564 -0.412 -40.072 13.047 1.00 0.00 C ATOM 368 CG GLU A 564 1.044 -39.731 12.725 1.00 0.00 C ATOM 369 CD GLU A 564 1.536 -40.587 11.563 1.00 0.00 C ATOM 370 OE1 GLU A 564 1.614 -41.793 11.733 1.00 0.00 O ATOM 371 OE2 GLU A 564 1.828 -40.025 10.521 1.00 0.00 O ATOM 372 HA GLU A 564 -0.984 -39.750 10.998 1.00 0.00 H ATOM 373 HB2 GLU A 564 -0.670 -39.674 14.028 1.00 0.00 H ATOM 374 HB3 GLU A 564 -0.539 -41.155 13.050 1.00 0.00 H ATOM 375 HG2 GLU A 564 1.117 -38.678 12.454 1.00 0.00 H ATOM 376 HG3 GLU A 564 1.662 -39.923 13.602 1.00 0.00 H ATOM 377 H GLU A 564 -0.407 -37.525 12.380 1.00 0.00 H ATOM 378 N TYR A 565 -3.336 -39.601 13.326 1.00 0.00 N ATOM 379 CA TYR A 565 -4.700 -40.002 13.615 1.00 0.00 C ATOM 380 C TYR A 565 -5.648 -39.340 12.625 1.00 0.00 C ATOM 381 O TYR A 565 -6.474 -40.008 11.999 1.00 0.00 O ATOM 382 CB TYR A 565 -5.073 -39.611 15.038 1.00 0.00 C ATOM 383 CG TYR A 565 -4.202 -40.378 16.002 1.00 0.00 C ATOM 384 CD1 TYR A 565 -2.882 -39.972 16.224 1.00 0.00 C ATOM 385 CD2 TYR A 565 -4.713 -41.497 16.669 1.00 0.00 C ATOM 386 CE1 TYR A 565 -2.071 -40.685 17.116 1.00 0.00 C ATOM 387 CE2 TYR A 565 -3.903 -42.210 17.561 1.00 0.00 C ATOM 388 CZ TYR A 565 -2.582 -41.804 17.785 1.00 0.00 C ATOM 389 OH TYR A 565 -1.784 -42.506 18.664 1.00 0.00 O ATOM 390 HA TYR A 565 -4.781 -41.085 13.520 1.00 0.00 H ATOM 391 HB3 TYR A 565 -6.120 -39.851 15.221 1.00 0.00 H ATOM 392 HB2 TYR A 565 -4.917 -38.541 15.176 1.00 0.00 H ATOM 393 HD2 TYR A 565 -5.741 -41.813 16.494 1.00 0.00 H ATOM 394 HE2 TYR A 565 -4.301 -43.081 18.081 1.00 0.00 H ATOM 395 HE1 TYR A 565 -1.042 -40.369 17.289 1.00 0.00 H ATOM 396 HD1 TYR A 565 -2.485 -39.101 15.703 1.00 0.00 H ATOM 397 HH TYR A 565 -0.888 -42.086 18.702 1.00 0.00 H ATOM 398 H TYR A 565 -2.810 -39.029 14.017 1.00 0.00 H ATOM 399 N THR A 566 -5.517 -38.021 12.469 1.00 0.00 N ATOM 400 CA THR A 566 -6.371 -37.309 11.525 1.00 0.00 C ATOM 401 C THR A 566 -6.422 -38.094 10.221 1.00 0.00 C ATOM 402 O THR A 566 -7.486 -38.277 9.634 1.00 0.00 O ATOM 403 CB THR A 566 -5.858 -35.874 11.294 1.00 0.00 C ATOM 404 OG1 THR A 566 -6.948 -34.969 11.400 1.00 0.00 O ATOM 405 CG2 THR A 566 -5.222 -35.732 9.904 1.00 0.00 C ATOM 406 HA THR A 566 -7.378 -37.226 11.934 1.00 0.00 H ATOM 407 HB THR A 566 -5.101 -35.652 12.046 1.00 0.00 H ATOM 408 HG1 THR A 566 -6.624 -34.045 11.252 1.00 0.00 H ATOM 409 HG23 THR A 566 -4.385 -36.424 9.817 1.00 0.00 H ATOM 410 HG21 THR A 566 -5.966 -35.961 9.141 1.00 0.00 H ATOM 411 HG22 THR A 566 -4.866 -34.710 9.771 1.00 0.00 H ATOM 412 H THR A 566 -4.806 -37.501 13.021 1.00 0.00 H ATOM 413 N PHE A 567 -5.268 -38.593 9.791 1.00 0.00 N ATOM 414 CA PHE A 567 -5.219 -39.390 8.581 1.00 0.00 C ATOM 415 C PHE A 567 -6.085 -40.621 8.795 1.00 0.00 C ATOM 416 O PHE A 567 -6.907 -40.966 7.944 1.00 0.00 O ATOM 417 CB PHE A 567 -3.767 -39.777 8.254 1.00 0.00 C ATOM 418 CG PHE A 567 -3.706 -41.165 7.658 1.00 0.00 C ATOM 419 CD1 PHE A 567 -3.977 -41.357 6.297 1.00 0.00 C ATOM 420 CD2 PHE A 567 -3.371 -42.259 8.465 1.00 0.00 C ATOM 421 CE1 PHE A 567 -3.913 -42.642 5.745 1.00 0.00 C ATOM 422 CE2 PHE A 567 -3.308 -43.544 7.913 1.00 0.00 C ATOM 423 CZ PHE A 567 -3.579 -43.736 6.553 1.00 0.00 C ATOM 424 HA PHE A 567 -5.598 -38.821 7.732 1.00 0.00 H ATOM 425 HB2 PHE A 567 -3.358 -39.062 7.540 1.00 0.00 H ATOM 426 HB3 PHE A 567 -3.175 -39.754 9.169 1.00 0.00 H ATOM 427 HD2 PHE A 567 -3.159 -42.110 9.524 1.00 0.00 H ATOM 428 HE2 PHE A 567 -3.048 -44.395 8.542 1.00 0.00 H ATOM 429 HZ PHE A 567 -3.530 -44.736 6.123 1.00 0.00 H ATOM 430 HE1 PHE A 567 -4.123 -42.791 4.686 1.00 0.00 H ATOM 431 HD1 PHE A 567 -4.238 -40.506 5.668 1.00 0.00 H ATOM 432 H PHE A 567 -4.395 -38.411 10.326 1.00 0.00 H ATOM 433 N MET A 568 -5.934 -41.259 9.960 1.00 0.00 N ATOM 434 CA MET A 568 -6.760 -42.419 10.265 1.00 0.00 C ATOM 435 C MET A 568 -8.207 -42.059 9.966 1.00 0.00 C ATOM 436 O MET A 568 -9.010 -42.907 9.583 1.00 0.00 O ATOM 437 CB MET A 568 -6.618 -42.823 11.742 1.00 0.00 C ATOM 438 CG MET A 568 -6.439 -44.341 11.850 1.00 0.00 C ATOM 439 SD MET A 568 -6.799 -44.874 13.541 1.00 0.00 S ATOM 440 CE MET A 568 -5.707 -43.705 14.385 1.00 0.00 C ATOM 441 HA MET A 568 -6.440 -43.265 9.657 1.00 0.00 H ATOM 442 HB2 MET A 568 -5.749 -42.324 12.172 1.00 0.00 H ATOM 443 HB3 MET A 568 -7.513 -42.524 12.287 1.00 0.00 H ATOM 444 HG2 MET A 568 -5.412 -44.605 11.597 1.00 0.00 H ATOM 445 HG3 MET A 568 -7.121 -44.837 11.160 1.00 0.00 H ATOM 446 HE1 MET A 568 -4.680 -43.866 14.056 1.00 0.00 H ATOM 447 HE2 MET A 568 -6.012 -42.686 14.144 1.00 0.00 H ATOM 448 HE3 MET A 568 -5.773 -43.860 15.462 1.00 0.00 H ATOM 449 H MET A 568 -5.228 -40.927 10.648 1.00 0.00 H ATOM 450 N LEU A 569 -8.518 -40.777 10.143 1.00 0.00 N ATOM 451 CA LEU A 569 -9.859 -40.276 9.889 1.00 0.00 C ATOM 452 C LEU A 569 -10.060 -39.990 8.403 1.00 0.00 C ATOM 453 O LEU A 569 -11.161 -40.155 7.875 1.00 0.00 O ATOM 454 CB LEU A 569 -10.077 -38.991 10.695 1.00 0.00 C ATOM 455 CG LEU A 569 -11.575 -38.774 10.959 1.00 0.00 C ATOM 456 CD1 LEU A 569 -11.765 -38.072 12.299 1.00 0.00 C ATOM 457 CD2 LEU A 569 -12.180 -37.904 9.861 1.00 0.00 C ATOM 458 HA LEU A 569 -10.581 -41.034 10.193 1.00 0.00 H ATOM 459 HB2 LEU A 569 -9.552 -39.070 11.647 1.00 0.00 H ATOM 460 HB3 LEU A 569 -9.684 -38.143 10.134 1.00 0.00 H ATOM 461 HG LEU A 569 -12.070 -39.745 10.973 1.00 0.00 H ATOM 462 HD21 LEU A 569 -11.675 -36.938 9.845 1.00 0.00 H ATOM 463 HD22 LEU A 569 -12.054 -38.397 8.897 1.00 0.00 H ATOM 464 HD23 LEU A 569 -13.242 -37.757 10.059 1.00 0.00 H ATOM 465 HD11 LEU A 569 -11.343 -38.688 13.093 1.00 0.00 H ATOM 466 HD12 LEU A 569 -11.258 -37.107 12.277 1.00 0.00 H ATOM 467 HD13 LEU A 569 -12.829 -37.921 12.481 1.00 0.00 H ATOM 468 H LEU A 569 -7.784 -40.118 10.471 1.00 0.00 H ATOM 469 N ALA A 570 -8.990 -39.578 7.731 1.00 0.00 N ATOM 470 CA ALA A 570 -9.062 -39.283 6.318 1.00 0.00 C ATOM 471 C ALA A 570 -9.351 -40.560 5.572 1.00 0.00 C ATOM 472 O ALA A 570 -9.842 -40.543 4.443 1.00 0.00 O ATOM 473 CB ALA A 570 -7.745 -38.675 5.836 1.00 0.00 C ATOM 474 HA ALA A 570 -9.857 -38.561 6.133 1.00 0.00 H ATOM 475 HB1 ALA A 570 -7.550 -37.753 6.383 1.00 0.00 H ATOM 476 HB2 ALA A 570 -6.934 -39.382 6.012 1.00 0.00 H ATOM 477 HB3 ALA A 570 -7.815 -38.458 4.770 1.00 0.00 H ATOM 478 H ALA A 570 -8.085 -39.466 8.231 1.00 0.00 H ATOM 479 N GLU A 571 -9.051 -41.679 6.226 1.00 0.00 N ATOM 480 CA GLU A 571 -9.295 -42.971 5.623 1.00 0.00 C ATOM 481 C GLU A 571 -10.572 -43.588 6.180 1.00 0.00 C ATOM 482 O GLU A 571 -11.351 -44.196 5.445 1.00 0.00 O ATOM 483 CB GLU A 571 -8.114 -43.915 5.856 1.00 0.00 C ATOM 484 CG GLU A 571 -7.872 -44.070 7.353 1.00 0.00 C ATOM 485 CD GLU A 571 -6.758 -45.081 7.601 1.00 0.00 C ATOM 486 OE1 GLU A 571 -7.015 -46.264 7.447 1.00 0.00 O ATOM 487 OE2 GLU A 571 -5.666 -44.659 7.939 1.00 0.00 O ATOM 488 HA GLU A 571 -9.413 -42.823 4.550 1.00 0.00 H ATOM 489 HB2 GLU A 571 -8.337 -44.889 5.421 1.00 0.00 H ATOM 490 HB3 GLU A 571 -7.222 -43.504 5.384 1.00 0.00 H ATOM 491 HG2 GLU A 571 -7.585 -43.106 7.774 1.00 0.00 H ATOM 492 HG3 GLU A 571 -8.787 -44.417 7.833 1.00 0.00 H ATOM 493 H GLU A 571 -8.638 -41.624 7.179 1.00 0.00 H ATOM 494 N GLN A 572 -10.785 -43.422 7.481 1.00 0.00 N ATOM 495 CA GLN A 572 -11.976 -43.961 8.120 1.00 0.00 C ATOM 496 C GLN A 572 -13.188 -43.119 7.743 1.00 0.00 C ATOM 497 O GLN A 572 -14.326 -43.474 8.050 1.00 0.00 O ATOM 498 CB GLN A 572 -11.794 -43.982 9.647 1.00 0.00 C ATOM 499 CG GLN A 572 -11.053 -45.264 10.059 1.00 0.00 C ATOM 500 CD GLN A 572 -10.172 -44.995 11.273 1.00 0.00 C ATOM 501 OE1 GLN A 572 -9.231 -45.743 11.538 1.00 0.00 O ATOM 502 NE2 GLN A 572 -10.426 -43.966 12.030 1.00 0.00 N ATOM 503 HA GLN A 572 -12.135 -44.983 7.776 1.00 0.00 H ATOM 504 HB2 GLN A 572 -11.214 -43.112 9.956 1.00 0.00 H ATOM 505 HB3 GLN A 572 -12.771 -43.956 10.130 1.00 0.00 H ATOM 506 HG2 GLN A 572 -11.780 -46.037 10.306 1.00 0.00 H ATOM 507 HG3 GLN A 572 -10.431 -45.603 9.230 1.00 0.00 H ATOM 508 HE22 GLN A 572 -11.222 -43.337 11.802 1.00 0.00 H ATOM 509 HE21 GLN A 572 -9.833 -43.774 12.862 1.00 0.00 H ATOM 510 H GLN A 572 -10.090 -42.899 8.051 1.00 0.00 H ATOM 511 N SER A 573 -12.930 -41.999 7.072 1.00 0.00 N ATOM 512 CA SER A 573 -14.006 -41.103 6.650 1.00 0.00 C ATOM 513 C SER A 573 -14.230 -41.173 5.140 1.00 0.00 C ATOM 514 O SER A 573 -14.952 -40.352 4.575 1.00 0.00 O ATOM 515 CB SER A 573 -13.668 -39.671 7.041 1.00 0.00 C ATOM 516 OG SER A 573 -12.540 -39.231 6.297 1.00 0.00 O ATOM 517 HA SER A 573 -14.921 -41.421 7.149 1.00 0.00 H ATOM 518 HB2 SER A 573 -13.440 -39.629 8.106 1.00 0.00 H ATOM 519 HB3 SER A 573 -14.519 -39.025 6.827 1.00 0.00 H ATOM 520 HG SER A 573 -11.767 -39.818 6.493 1.00 0.00 H ATOM 521 H SER A 573 -11.945 -41.756 6.843 1.00 0.00 H ATOM 522 N ASN A 574 -13.619 -42.159 4.493 1.00 0.00 N ATOM 523 CA ASN A 574 -13.772 -42.324 3.048 1.00 0.00 C ATOM 524 C ASN A 574 -13.151 -41.149 2.292 1.00 0.00 C ATOM 525 O ASN A 574 -13.396 -40.973 1.099 1.00 0.00 O ATOM 526 CB ASN A 574 -15.260 -42.439 2.683 1.00 0.00 C ATOM 527 CG ASN A 574 -16.065 -42.925 3.884 1.00 0.00 C ATOM 528 OD1 ASN A 574 -15.870 -44.046 4.353 1.00 0.00 O ATOM 529 ND2 ASN A 574 -16.964 -42.139 4.413 1.00 0.00 N ATOM 530 HA ASN A 574 -13.253 -43.238 2.758 1.00 0.00 H ATOM 531 HB2 ASN A 574 -15.631 -41.462 2.373 1.00 0.00 H ATOM 532 HB3 ASN A 574 -15.375 -43.147 1.862 1.00 0.00 H ATOM 533 HD22 ASN A 574 -17.126 -41.192 4.014 1.00 0.00 H ATOM 534 HD21 ASN A 574 -17.518 -42.460 5.233 1.00 0.00 H ATOM 535 H ASN A 574 -13.022 -42.825 5.023 1.00 0.00 H ATOM 536 N TRP A 575 -12.350 -40.350 2.990 1.00 0.00 N ATOM 537 CA TRP A 575 -11.700 -39.196 2.371 1.00 0.00 C ATOM 538 C TRP A 575 -12.730 -38.218 1.808 1.00 0.00 C ATOM 539 O TRP A 575 -12.489 -37.582 0.782 1.00 0.00 O ATOM 540 CB TRP A 575 -10.772 -39.652 1.239 1.00 0.00 C ATOM 541 CG TRP A 575 -9.736 -40.590 1.773 1.00 0.00 C ATOM 542 CD1 TRP A 575 -9.921 -41.913 1.985 1.00 0.00 C ATOM 543 CD2 TRP A 575 -8.359 -40.303 2.156 1.00 0.00 C ATOM 544 NE1 TRP A 575 -8.747 -42.455 2.474 1.00 0.00 N ATOM 545 CE2 TRP A 575 -7.756 -41.503 2.601 1.00 0.00 C ATOM 546 CE3 TRP A 575 -7.583 -39.130 2.162 1.00 0.00 C ATOM 547 CZ2 TRP A 575 -6.431 -41.537 3.037 1.00 0.00 C ATOM 548 CZ3 TRP A 575 -6.248 -39.161 2.599 1.00 0.00 C ATOM 549 CH2 TRP A 575 -5.674 -40.361 3.037 1.00 0.00 C ATOM 550 HA TRP A 575 -11.120 -38.691 3.143 1.00 0.00 H ATOM 551 HB2 TRP A 575 -11.359 -40.160 0.473 1.00 0.00 H ATOM 552 HB3 TRP A 575 -10.281 -38.782 0.802 1.00 0.00 H ATOM 553 HE1 TRP A 575 -8.625 -43.459 2.717 1.00 0.00 H ATOM 554 HD1 TRP A 575 -10.844 -42.462 1.801 1.00 0.00 H ATOM 555 HZ2 TRP A 575 -5.989 -42.474 3.375 1.00 0.00 H ATOM 556 HH2 TRP A 575 -4.639 -40.378 3.377 1.00 0.00 H ATOM 557 HZ3 TRP A 575 -5.656 -38.246 2.597 1.00 0.00 H ATOM 558 HE3 TRP A 575 -8.020 -38.190 1.825 1.00 0.00 H ATOM 559 H TRP A 575 -12.182 -40.550 3.997 1.00 0.00 H ATOM 560 N ASN A 576 -13.874 -38.093 2.477 1.00 0.00 N ATOM 561 CA ASN A 576 -14.910 -37.178 2.015 1.00 0.00 C ATOM 562 C ASN A 576 -14.558 -35.748 2.381 1.00 0.00 C ATOM 563 O ASN A 576 -14.285 -34.923 1.511 1.00 0.00 O ATOM 564 CB ASN A 576 -16.256 -37.554 2.641 1.00 0.00 C ATOM 565 CG ASN A 576 -17.397 -36.947 1.832 1.00 0.00 C ATOM 566 OD1 ASN A 576 -17.232 -35.892 1.218 1.00 0.00 O ATOM 567 ND2 ASN A 576 -18.552 -37.553 1.793 1.00 0.00 N ATOM 568 HA ASN A 576 -14.982 -37.255 0.930 1.00 0.00 H ATOM 569 HB2 ASN A 576 -16.359 -38.639 2.652 1.00 0.00 H ATOM 570 HB3 ASN A 576 -16.297 -37.176 3.663 1.00 0.00 H ATOM 571 HD22 ASN A 576 -18.690 -38.444 2.312 1.00 0.00 H ATOM 572 HD21 ASN A 576 -19.335 -37.145 1.243 1.00 0.00 H ATOM 573 H ASN A 576 -14.030 -38.654 3.339 1.00 0.00 H ATOM 574 N TYR A 577 -14.591 -35.481 3.677 1.00 0.00 N ATOM 575 CA TYR A 577 -14.308 -34.171 4.238 1.00 0.00 C ATOM 576 C TYR A 577 -15.411 -33.868 5.223 1.00 0.00 C ATOM 577 O TYR A 577 -15.275 -34.133 6.413 1.00 0.00 O ATOM 578 CB TYR A 577 -14.253 -33.075 3.165 1.00 0.00 C ATOM 579 CG TYR A 577 -14.097 -31.729 3.833 1.00 0.00 C ATOM 580 CD1 TYR A 577 -12.943 -31.449 4.575 1.00 0.00 C ATOM 581 CD2 TYR A 577 -15.103 -30.761 3.712 1.00 0.00 C ATOM 582 CE1 TYR A 577 -12.794 -30.205 5.197 1.00 0.00 C ATOM 583 CE2 TYR A 577 -14.953 -29.515 4.334 1.00 0.00 C ATOM 584 CZ TYR A 577 -13.799 -29.237 5.077 1.00 0.00 C ATOM 585 OH TYR A 577 -13.652 -28.009 5.690 1.00 0.00 O ATOM 586 HA TYR A 577 -13.328 -34.186 4.715 1.00 0.00 H ATOM 587 HB3 TYR A 577 -15.175 -33.088 2.583 1.00 0.00 H ATOM 588 HB2 TYR A 577 -13.405 -33.254 2.504 1.00 0.00 H ATOM 589 HD2 TYR A 577 -16.002 -30.978 3.134 1.00 0.00 H ATOM 590 HE2 TYR A 577 -15.735 -28.761 4.240 1.00 0.00 H ATOM 591 HE1 TYR A 577 -11.896 -29.989 5.775 1.00 0.00 H ATOM 592 HD1 TYR A 577 -12.160 -32.201 4.668 1.00 0.00 H ATOM 593 HH TYR A 577 -12.786 -27.982 6.169 1.00 0.00 H ATOM 594 H TYR A 577 -14.833 -36.253 4.331 1.00 0.00 H ATOM 595 N GLU A 578 -16.528 -33.367 4.710 1.00 0.00 N ATOM 596 CA GLU A 578 -17.677 -33.080 5.554 1.00 0.00 C ATOM 597 C GLU A 578 -17.847 -34.201 6.570 1.00 0.00 C ATOM 598 O GLU A 578 -17.989 -33.952 7.770 1.00 0.00 O ATOM 599 CB GLU A 578 -18.939 -32.959 4.699 1.00 0.00 C ATOM 600 CG GLU A 578 -20.066 -32.349 5.535 1.00 0.00 C ATOM 601 CD GLU A 578 -21.364 -32.345 4.736 1.00 0.00 C ATOM 602 OE1 GLU A 578 -21.414 -33.017 3.720 1.00 0.00 O ATOM 603 OE2 GLU A 578 -22.291 -31.669 5.152 1.00 0.00 O ATOM 604 HA GLU A 578 -17.515 -32.137 6.075 1.00 0.00 H ATOM 605 HB2 GLU A 578 -18.736 -32.319 3.840 1.00 0.00 H ATOM 606 HB3 GLU A 578 -19.239 -33.948 4.351 1.00 0.00 H ATOM 607 HG2 GLU A 578 -20.202 -32.938 6.442 1.00 0.00 H ATOM 608 HG3 GLU A 578 -19.804 -31.326 5.803 1.00 0.00 H ATOM 609 H GLU A 578 -16.582 -33.177 3.689 1.00 0.00 H ATOM 610 N VAL A 579 -17.803 -35.443 6.086 1.00 0.00 N ATOM 611 CA VAL A 579 -17.928 -36.583 6.979 1.00 0.00 C ATOM 612 C VAL A 579 -16.672 -36.693 7.820 1.00 0.00 C ATOM 613 O VAL A 579 -16.736 -37.021 9.001 1.00 0.00 O ATOM 614 CB VAL A 579 -18.181 -37.890 6.196 1.00 0.00 C ATOM 615 CG1 VAL A 579 -16.916 -38.742 6.131 1.00 0.00 C ATOM 616 CG2 VAL A 579 -19.284 -38.692 6.896 1.00 0.00 C ATOM 617 HA VAL A 579 -18.789 -36.429 7.629 1.00 0.00 H ATOM 618 HB VAL A 579 -18.482 -37.631 5.181 1.00 0.00 H ATOM 619 HG11 VAL A 579 -16.127 -38.181 5.630 1.00 0.00 H ATOM 620 HG12 VAL A 579 -16.598 -38.995 7.142 1.00 0.00 H ATOM 621 HG13 VAL A 579 -17.123 -39.656 5.574 1.00 0.00 H ATOM 622 HG21 VAL A 579 -18.970 -38.929 7.912 1.00 0.00 H ATOM 623 HG22 VAL A 579 -20.199 -38.100 6.926 1.00 0.00 H ATOM 624 HG23 VAL A 579 -19.465 -39.615 6.346 1.00 0.00 H ATOM 625 H VAL A 579 -17.679 -35.597 5.065 1.00 0.00 H ATOM 626 N ALA A 580 -15.528 -36.389 7.215 1.00 0.00 N ATOM 627 CA ALA A 580 -14.282 -36.433 7.953 1.00 0.00 C ATOM 628 C ALA A 580 -14.461 -35.597 9.209 1.00 0.00 C ATOM 629 O ALA A 580 -14.505 -36.121 10.323 1.00 0.00 O ATOM 630 CB ALA A 580 -13.138 -35.892 7.098 1.00 0.00 C ATOM 631 HA ALA A 580 -14.031 -37.460 8.219 1.00 0.00 H ATOM 632 HB1 ALA A 580 -13.040 -36.499 6.198 1.00 0.00 H ATOM 633 HB2 ALA A 580 -13.351 -34.860 6.820 1.00 0.00 H ATOM 634 HB3 ALA A 580 -12.210 -35.932 7.668 1.00 0.00 H ATOM 635 H ALA A 580 -15.527 -36.119 6.211 1.00 0.00 H ATOM 636 N ILE A 581 -14.625 -34.297 9.005 1.00 0.00 N ATOM 637 CA ILE A 581 -14.878 -33.380 10.108 1.00 0.00 C ATOM 638 C ILE A 581 -15.838 -34.050 11.078 1.00 0.00 C ATOM 639 O ILE A 581 -15.463 -34.410 12.194 1.00 0.00 O ATOM 640 CB ILE A 581 -15.512 -32.084 9.565 1.00 0.00 C ATOM 641 CG1 ILE A 581 -15.359 -32.035 8.038 1.00 0.00 C ATOM 642 CG2 ILE A 581 -14.826 -30.863 10.177 1.00 0.00 C ATOM 643 CD1 ILE A 581 -13.873 -32.034 7.665 1.00 0.00 C ATOM 644 HA ILE A 581 -13.945 -33.133 10.614 1.00 0.00 H ATOM 645 HB ILE A 581 -16.569 -32.073 9.831 1.00 0.00 H ATOM 646 HG12 ILE A 581 -15.842 -32.907 7.597 1.00 0.00 H ATOM 647 HG13 ILE A 581 -15.829 -31.129 7.656 1.00 0.00 H ATOM 648 HD11 ILE A 581 -13.390 -31.161 8.104 1.00 0.00 H ATOM 649 HD12 ILE A 581 -13.403 -32.941 8.046 1.00 0.00 H ATOM 650 HD13 ILE A 581 -13.772 -31.999 6.580 1.00 0.00 H ATOM 651 HG21 ILE A 581 -14.940 -30.889 11.261 1.00 0.00 H ATOM 652 HG22 ILE A 581 -13.767 -30.877 9.921 1.00 0.00 H ATOM 653 HG23 ILE A 581 -15.284 -29.955 9.784 1.00 0.00 H ATOM 654 H ILE A 581 -14.572 -33.924 8.036 1.00 0.00 H ATOM 655 N LYS A 582 -17.074 -34.252 10.621 1.00 0.00 N ATOM 656 CA LYS A 582 -18.068 -34.916 11.444 1.00 0.00 C ATOM 657 C LYS A 582 -17.455 -36.186 12.016 1.00 0.00 C ATOM 658 O LYS A 582 -17.722 -36.558 13.154 1.00 0.00 O ATOM 659 CB LYS A 582 -19.312 -35.255 10.608 1.00 0.00 C ATOM 660 CG LYS A 582 -20.475 -34.339 11.009 1.00 0.00 C ATOM 661 CD LYS A 582 -21.735 -34.720 10.221 1.00 0.00 C ATOM 662 CE LYS A 582 -21.757 -33.973 8.884 1.00 0.00 C ATOM 663 NZ LYS A 582 -22.723 -34.634 7.962 1.00 0.00 N ATOM 664 HA LYS A 582 -18.375 -34.256 12.256 1.00 0.00 H ATOM 665 HB2 LYS A 582 -19.087 -35.113 9.551 1.00 0.00 H ATOM 666 HB3 LYS A 582 -19.593 -36.294 10.782 1.00 0.00 H ATOM 667 HG2 LYS A 582 -20.669 -34.447 12.076 1.00 0.00 H ATOM 668 HG3 LYS A 582 -20.212 -33.304 10.792 1.00 0.00 H ATOM 669 HD2 LYS A 582 -21.735 -35.794 10.036 1.00 0.00 H ATOM 670 HD3 LYS A 582 -22.619 -34.452 10.800 1.00 0.00 H ATOM 671 HE2 LYS A 582 -20.761 -33.991 8.441 1.00 0.00 H ATOM 672 HE3 LYS A 582 -22.061 -32.940 9.050 1.00 0.00 H ATOM 673 HZ1 LYS A 582 -22.431 -35.620 7.804 1.00 0.00 H ATOM 674 HZ2 LYS A 582 -23.673 -34.616 8.386 1.00 0.00 H ATOM 675 HZ3 LYS A 582 -22.737 -34.126 7.055 1.00 0.00 H ATOM 676 H LYS A 582 -17.328 -33.931 9.665 1.00 0.00 H ATOM 677 N GLY A 583 -16.604 -36.828 11.216 1.00 0.00 N ATOM 678 CA GLY A 583 -15.927 -38.040 11.654 1.00 0.00 C ATOM 679 C GLY A 583 -15.321 -37.806 13.025 1.00 0.00 C ATOM 680 O GLY A 583 -15.656 -38.485 13.990 1.00 0.00 O ATOM 681 HA3 GLY A 583 -15.139 -38.294 10.945 1.00 0.00 H ATOM 682 HA2 GLY A 583 -16.644 -38.859 11.707 1.00 0.00 H ATOM 683 H GLY A 583 -16.420 -36.457 10.262 1.00 0.00 H ATOM 684 N PHE A 584 -14.452 -36.810 13.119 1.00 0.00 N ATOM 685 CA PHE A 584 -13.857 -36.484 14.402 1.00 0.00 C ATOM 686 C PHE A 584 -14.981 -36.274 15.386 1.00 0.00 C ATOM 687 O PHE A 584 -15.089 -36.955 16.406 1.00 0.00 O ATOM 688 CB PHE A 584 -13.047 -35.198 14.296 1.00 0.00 C ATOM 689 CG PHE A 584 -12.892 -34.573 15.672 1.00 0.00 C ATOM 690 CD1 PHE A 584 -12.492 -35.357 16.763 1.00 0.00 C ATOM 691 CD2 PHE A 584 -13.156 -33.209 15.854 1.00 0.00 C ATOM 692 CE1 PHE A 584 -12.353 -34.775 18.030 1.00 0.00 C ATOM 693 CE2 PHE A 584 -13.019 -32.630 17.121 1.00 0.00 C ATOM 694 CZ PHE A 584 -12.617 -33.413 18.208 1.00 0.00 C ATOM 695 HA PHE A 584 -13.195 -37.289 14.722 1.00 0.00 H ATOM 696 HB2 PHE A 584 -12.062 -35.423 13.887 1.00 0.00 H ATOM 697 HB3 PHE A 584 -13.562 -34.499 13.637 1.00 0.00 H ATOM 698 HD2 PHE A 584 -13.469 -32.598 15.007 1.00 0.00 H ATOM 699 HE2 PHE A 584 -13.226 -31.569 17.261 1.00 0.00 H ATOM 700 HZ PHE A 584 -12.509 -32.962 19.194 1.00 0.00 H ATOM 701 HE1 PHE A 584 -12.039 -35.384 18.878 1.00 0.00 H ATOM 702 HD1 PHE A 584 -12.289 -36.419 16.626 1.00 0.00 H ATOM 703 H PHE A 584 -14.196 -36.262 12.273 1.00 0.00 H ATOM 704 N GLN A 585 -15.821 -35.318 15.040 1.00 0.00 N ATOM 705 CA GLN A 585 -16.977 -34.995 15.878 1.00 0.00 C ATOM 706 C GLN A 585 -17.911 -36.204 15.997 1.00 0.00 C ATOM 707 O GLN A 585 -18.923 -36.146 16.695 1.00 0.00 O ATOM 708 CB GLN A 585 -17.775 -33.809 15.303 1.00 0.00 C ATOM 709 CG GLN A 585 -16.853 -32.830 14.572 1.00 0.00 C ATOM 710 CD GLN A 585 -15.930 -32.127 15.557 1.00 0.00 C ATOM 711 OE1 GLN A 585 -15.838 -32.521 16.719 1.00 0.00 O ATOM 712 NE2 GLN A 585 -15.236 -31.098 15.153 1.00 0.00 N ATOM 713 HA GLN A 585 -16.594 -34.723 16.862 1.00 0.00 H ATOM 714 HB2 GLN A 585 -18.521 -34.187 14.604 1.00 0.00 H ATOM 715 HB3 GLN A 585 -18.275 -33.287 16.119 1.00 0.00 H ATOM 716 HG2 GLN A 585 -16.252 -33.377 13.846 1.00 0.00 H ATOM 717 HG3 GLN A 585 -17.458 -32.086 14.054 1.00 0.00 H ATOM 718 HE22 GLN A 585 -15.318 -30.769 14.170 1.00 0.00 H ATOM 719 HE21 GLN A 585 -14.601 -30.607 15.814 1.00 0.00 H ATOM 720 H GLN A 585 -15.660 -34.787 14.161 1.00 0.00 H ATOM 721 N SER A 586 -17.578 -37.292 15.302 1.00 0.00 N ATOM 722 CA SER A 586 -18.412 -38.495 15.334 1.00 0.00 C ATOM 723 C SER A 586 -18.121 -39.334 16.574 1.00 0.00 C ATOM 724 O SER A 586 -18.759 -39.169 17.614 1.00 0.00 O ATOM 725 CB SER A 586 -18.171 -39.349 14.087 1.00 0.00 C ATOM 726 OG SER A 586 -19.127 -40.401 14.051 1.00 0.00 O ATOM 727 HA SER A 586 -19.452 -38.170 15.361 1.00 0.00 H ATOM 728 HB2 SER A 586 -17.166 -39.770 14.121 1.00 0.00 H ATOM 729 HB3 SER A 586 -18.275 -38.731 13.195 1.00 0.00 H ATOM 730 HG SER A 586 -18.975 -40.956 13.246 1.00 0.00 H ATOM 731 H SER A 586 -16.711 -37.286 14.727 1.00 0.00 H ATOM 732 N SER A 587 -17.161 -40.242 16.448 1.00 0.00 N ATOM 733 CA SER A 587 -16.793 -41.117 17.553 1.00 0.00 C ATOM 734 C SER A 587 -16.665 -40.327 18.850 1.00 0.00 C ATOM 735 O SER A 587 -17.342 -40.625 19.834 1.00 0.00 O ATOM 736 CB SER A 587 -15.469 -41.820 17.238 1.00 0.00 C ATOM 737 OG SER A 587 -15.729 -42.977 16.454 1.00 0.00 O ATOM 738 HA SER A 587 -17.578 -41.862 17.681 1.00 0.00 H ATOM 739 HB2 SER A 587 -14.980 -42.111 18.168 1.00 0.00 H ATOM 740 HB3 SER A 587 -14.819 -41.143 16.684 1.00 0.00 H ATOM 741 HG SER A 587 -14.875 -43.434 16.249 1.00 0.00 H ATOM 742 H SER A 587 -16.661 -40.331 15.541 1.00 0.00 H ATOM 743 N MET A 588 -15.789 -39.323 18.840 1.00 0.00 N ATOM 744 CA MET A 588 -15.557 -38.487 20.019 1.00 0.00 C ATOM 745 C MET A 588 -16.014 -39.187 21.296 1.00 0.00 C ATOM 746 O MET A 588 -16.946 -38.742 21.965 1.00 0.00 O ATOM 747 CB MET A 588 -16.284 -37.149 19.870 1.00 0.00 C ATOM 748 CG MET A 588 -15.821 -36.186 20.969 1.00 0.00 C ATOM 749 SD MET A 588 -14.070 -35.780 20.726 1.00 0.00 S ATOM 750 CE MET A 588 -13.372 -36.876 21.992 1.00 0.00 C ATOM 751 HA MET A 588 -14.484 -38.309 20.095 1.00 0.00 H ATOM 752 HB2 MET A 588 -16.059 -36.720 18.893 1.00 0.00 H ATOM 753 HB3 MET A 588 -17.359 -37.308 19.956 1.00 0.00 H ATOM 754 HG2 MET A 588 -15.952 -36.657 21.943 1.00 0.00 H ATOM 755 HG3 MET A 588 -16.415 -35.273 20.925 1.00 0.00 H ATOM 756 HE1 MET A 588 -13.773 -36.603 22.968 1.00 0.00 H ATOM 757 HE2 MET A 588 -13.638 -37.908 21.764 1.00 0.00 H ATOM 758 HE3 MET A 588 -12.287 -36.773 22.002 1.00 0.00 H ATOM 759 H MET A 588 -15.255 -39.128 17.969 1.00 0.00 H ATOM 760 N ASN A 589 -15.346 -40.288 21.621 1.00 0.00 N ATOM 761 CA ASN A 589 -15.677 -41.055 22.814 1.00 0.00 C ATOM 762 C ASN A 589 -14.654 -42.165 23.020 1.00 0.00 C ATOM 763 O ASN A 589 -14.690 -42.883 24.020 1.00 0.00 O ATOM 764 CB ASN A 589 -17.075 -41.662 22.677 1.00 0.00 C ATOM 765 CG ASN A 589 -17.586 -42.111 24.043 1.00 0.00 C ATOM 766 OD1 ASN A 589 -18.074 -43.232 24.186 1.00 0.00 O ATOM 767 ND2 ASN A 589 -17.502 -41.297 25.060 1.00 0.00 N ATOM 768 HA ASN A 589 -15.660 -40.388 23.676 1.00 0.00 H ATOM 769 HB2 ASN A 589 -17.754 -40.916 22.265 1.00 0.00 H ATOM 770 HB3 ASN A 589 -17.032 -42.521 22.007 1.00 0.00 H ATOM 771 HD22 ASN A 589 -17.089 -40.351 24.936 1.00 0.00 H ATOM 772 HD21 ASN A 589 -17.848 -41.595 25.994 1.00 0.00 H ATOM 773 H ASN A 589 -14.569 -40.610 21.010 1.00 0.00 H ATOM 774 N GLY A 590 -13.740 -42.296 22.063 1.00 0.00 N ATOM 775 CA GLY A 590 -12.701 -43.318 22.135 1.00 0.00 C ATOM 776 C GLY A 590 -11.342 -42.734 21.767 1.00 0.00 C ATOM 777 O GLY A 590 -10.302 -43.257 22.168 1.00 0.00 O ATOM 778 HA3 GLY A 590 -12.943 -44.124 21.443 1.00 0.00 H ATOM 779 HA2 GLY A 590 -12.658 -43.713 23.150 1.00 0.00 H ATOM 780 H GLY A 590 -13.766 -41.655 21.244 1.00 0.00 H ATOM 781 N ILE A 591 -11.356 -41.644 21.005 1.00 0.00 N ATOM 782 CA ILE A 591 -10.112 -40.998 20.596 1.00 0.00 C ATOM 783 C ILE A 591 -9.292 -40.644 21.846 1.00 0.00 C ATOM 784 O ILE A 591 -9.815 -40.033 22.777 1.00 0.00 O ATOM 785 CB ILE A 591 -10.411 -39.729 19.765 1.00 0.00 C ATOM 786 CG1 ILE A 591 -11.935 -39.537 19.642 1.00 0.00 C ATOM 787 CG2 ILE A 591 -9.803 -39.871 18.362 1.00 0.00 C ATOM 788 CD1 ILE A 591 -12.267 -38.368 18.697 1.00 0.00 C ATOM 789 HA ILE A 591 -9.537 -41.682 19.971 1.00 0.00 H ATOM 790 HB ILE A 591 -9.973 -38.865 20.265 1.00 0.00 H ATOM 791 HG12 ILE A 591 -12.380 -40.451 19.249 1.00 0.00 H ATOM 792 HG13 ILE A 591 -12.349 -39.328 20.628 1.00 0.00 H ATOM 793 HD11 ILE A 591 -11.828 -37.450 19.088 1.00 0.00 H ATOM 794 HD12 ILE A 591 -11.858 -38.575 17.708 1.00 0.00 H ATOM 795 HD13 ILE A 591 -13.349 -38.254 18.628 1.00 0.00 H ATOM 796 HG21 ILE A 591 -8.724 -40.001 18.446 1.00 0.00 H ATOM 797 HG22 ILE A 591 -10.237 -40.739 17.865 1.00 0.00 H ATOM 798 HG23 ILE A 591 -10.017 -38.973 17.782 1.00 0.00 H ATOM 799 H ILE A 591 -12.266 -41.246 20.696 1.00 0.00 H ATOM 800 N PRO A 592 -8.038 -41.035 21.901 1.00 0.00 N ATOM 801 CA PRO A 592 -7.162 -40.768 23.085 1.00 0.00 C ATOM 802 C PRO A 592 -6.680 -39.326 23.173 1.00 0.00 C ATOM 803 O PRO A 592 -7.044 -38.476 22.358 1.00 0.00 O ATOM 804 CB PRO A 592 -5.970 -41.695 22.862 1.00 0.00 C ATOM 805 CG PRO A 592 -5.874 -41.839 21.381 1.00 0.00 C ATOM 806 CD PRO A 592 -7.308 -41.769 20.849 1.00 0.00 C ATOM 807 HA PRO A 592 -7.704 -40.938 24.015 1.00 0.00 H ATOM 808 HD3 PRO A 592 -7.345 -41.231 19.902 1.00 0.00 H ATOM 809 HD2 PRO A 592 -7.722 -42.768 20.714 1.00 0.00 H ATOM 810 HG3 PRO A 592 -5.422 -42.797 21.123 1.00 0.00 H ATOM 811 HG2 PRO A 592 -5.275 -41.031 20.961 1.00 0.00 H ATOM 812 HB2 PRO A 592 -5.059 -41.254 23.265 1.00 0.00 H ATOM 813 HB3 PRO A 592 -6.142 -42.663 23.332 1.00 0.00 H ATOM 814 N ARG A 593 -5.834 -39.074 24.169 1.00 0.00 N ATOM 815 CA ARG A 593 -5.272 -37.750 24.370 1.00 0.00 C ATOM 816 C ARG A 593 -4.123 -37.527 23.401 1.00 0.00 C ATOM 817 O ARG A 593 -3.679 -36.398 23.188 1.00 0.00 O ATOM 818 CB ARG A 593 -4.773 -37.599 25.808 1.00 0.00 C ATOM 819 CG ARG A 593 -5.912 -37.909 26.783 1.00 0.00 C ATOM 820 CD ARG A 593 -5.342 -38.100 28.189 1.00 0.00 C ATOM 821 NE ARG A 593 -4.610 -39.366 28.269 1.00 0.00 N ATOM 822 CZ ARG A 593 -3.307 -39.412 28.553 1.00 0.00 C ATOM 823 NH1 ARG A 593 -2.636 -38.312 28.772 1.00 0.00 N ATOM 824 NH2 ARG A 593 -2.698 -40.564 28.614 1.00 0.00 N ATOM 825 HA ARG A 593 -6.048 -37.007 24.187 1.00 0.00 H ATOM 826 HB2 ARG A 593 -3.949 -38.291 25.981 1.00 0.00 H ATOM 827 HB3 ARG A 593 -4.427 -36.578 25.967 1.00 0.00 H ATOM 828 HG2 ARG A 593 -6.622 -37.082 26.788 1.00 0.00 H ATOM 829 HG3 ARG A 593 -6.421 -38.821 26.470 1.00 0.00 H ATOM 830 HD2 ARG A 593 -6.159 -38.109 28.911 1.00 0.00 H ATOM 831 HD3 ARG A 593 -4.665 -37.277 28.419 1.00 0.00 H ATOM 832 HE ARG A 593 -5.121 -40.256 28.099 1.00 0.00 H ATOM 833 HH12 ARG A 593 -1.621 -38.357 28.993 1.00 0.00 H ATOM 834 HH11 ARG A 593 -3.117 -37.391 28.726 1.00 0.00 H ATOM 835 HH22 ARG A 593 -1.683 -40.604 28.835 1.00 0.00 H ATOM 836 HH21 ARG A 593 -3.228 -41.442 28.442 1.00 0.00 H ATOM 837 H ARG A 593 -5.569 -39.842 24.818 1.00 0.00 H ATOM 838 N GLU A 594 -3.653 -38.618 22.813 1.00 0.00 N ATOM 839 CA GLU A 594 -2.561 -38.553 21.857 1.00 0.00 C ATOM 840 C GLU A 594 -3.086 -38.131 20.500 1.00 0.00 C ATOM 841 O GLU A 594 -2.459 -37.342 19.792 1.00 0.00 O ATOM 842 CB GLU A 594 -1.897 -39.923 21.739 1.00 0.00 C ATOM 843 CG GLU A 594 -1.812 -40.567 23.124 1.00 0.00 C ATOM 844 CD GLU A 594 -1.127 -41.926 23.028 1.00 0.00 C ATOM 845 OE1 GLU A 594 -1.126 -42.492 21.947 1.00 0.00 O ATOM 846 OE2 GLU A 594 -0.613 -42.380 24.037 1.00 0.00 O ATOM 847 HA GLU A 594 -1.830 -37.822 22.204 1.00 0.00 H ATOM 848 HB2 GLU A 594 -2.487 -40.558 21.078 1.00 0.00 H ATOM 849 HB3 GLU A 594 -0.894 -39.807 21.329 1.00 0.00 H ATOM 850 HG2 GLU A 594 -1.239 -39.920 23.788 1.00 0.00 H ATOM 851 HG3 GLU A 594 -2.818 -40.697 23.524 1.00 0.00 H ATOM 852 H GLU A 594 -4.075 -39.541 23.041 1.00 0.00 H ATOM 853 N ALA A 595 -4.249 -38.657 20.150 1.00 0.00 N ATOM 854 CA ALA A 595 -4.865 -38.324 18.883 1.00 0.00 C ATOM 855 C ALA A 595 -5.530 -36.964 18.994 1.00 0.00 C ATOM 856 O ALA A 595 -5.433 -36.138 18.097 1.00 0.00 O ATOM 857 CB ALA A 595 -5.911 -39.376 18.518 1.00 0.00 C ATOM 858 HA ALA A 595 -4.101 -38.299 18.106 1.00 0.00 H ATOM 859 HB1 ALA A 595 -5.431 -40.351 18.439 1.00 0.00 H ATOM 860 HB2 ALA A 595 -6.677 -39.409 19.292 1.00 0.00 H ATOM 861 HB3 ALA A 595 -6.368 -39.116 17.563 1.00 0.00 H ATOM 862 H ALA A 595 -4.727 -39.319 20.794 1.00 0.00 H ATOM 863 N PHE A 596 -6.199 -36.735 20.117 1.00 0.00 N ATOM 864 CA PHE A 596 -6.875 -35.467 20.344 1.00 0.00 C ATOM 865 C PHE A 596 -5.943 -34.506 21.075 1.00 0.00 C ATOM 866 O PHE A 596 -5.779 -34.569 22.294 1.00 0.00 O ATOM 867 CB PHE A 596 -8.183 -35.705 21.125 1.00 0.00 C ATOM 868 CG PHE A 596 -8.193 -34.930 22.422 1.00 0.00 C ATOM 869 CD1 PHE A 596 -8.205 -33.529 22.404 1.00 0.00 C ATOM 870 CD2 PHE A 596 -8.194 -35.614 23.643 1.00 0.00 C ATOM 871 CE1 PHE A 596 -8.218 -32.814 23.607 1.00 0.00 C ATOM 872 CE2 PHE A 596 -8.208 -34.899 24.846 1.00 0.00 C ATOM 873 CZ PHE A 596 -8.220 -33.499 24.828 1.00 0.00 C ATOM 874 HA PHE A 596 -7.137 -35.011 19.389 1.00 0.00 H ATOM 875 HB2 PHE A 596 -9.026 -35.385 20.513 1.00 0.00 H ATOM 876 HB3 PHE A 596 -8.278 -36.768 21.345 1.00 0.00 H ATOM 877 HD2 PHE A 596 -8.184 -36.704 23.657 1.00 0.00 H ATOM 878 HE2 PHE A 596 -8.210 -35.432 25.797 1.00 0.00 H ATOM 879 HZ PHE A 596 -8.231 -32.942 25.765 1.00 0.00 H ATOM 880 HE1 PHE A 596 -8.227 -31.724 23.593 1.00 0.00 H ATOM 881 HD1 PHE A 596 -8.204 -32.996 21.453 1.00 0.00 H ATOM 882 H PHE A 596 -6.241 -37.474 20.847 1.00 0.00 H ATOM 883 N VAL A 597 -5.322 -33.627 20.303 1.00 0.00 N ATOM 884 CA VAL A 597 -4.387 -32.650 20.852 1.00 0.00 C ATOM 885 C VAL A 597 -5.061 -31.288 21.028 1.00 0.00 C ATOM 886 O VAL A 597 -5.090 -30.471 20.109 1.00 0.00 O ATOM 887 CB VAL A 597 -3.163 -32.525 19.932 1.00 0.00 C ATOM 888 CG1 VAL A 597 -2.261 -33.746 20.121 1.00 0.00 C ATOM 889 CG2 VAL A 597 -3.612 -32.456 18.471 1.00 0.00 C ATOM 890 HA VAL A 597 -4.062 -32.995 21.834 1.00 0.00 H ATOM 891 HB VAL A 597 -2.618 -31.616 20.185 1.00 0.00 H ATOM 892 HG11 VAL A 597 -1.934 -33.797 21.159 1.00 0.00 H ATOM 893 HG12 VAL A 597 -2.817 -34.649 19.869 1.00 0.00 H ATOM 894 HG13 VAL A 597 -1.392 -33.659 19.469 1.00 0.00 H ATOM 895 HG21 VAL A 597 -4.161 -33.363 18.218 1.00 0.00 H ATOM 896 HG22 VAL A 597 -4.257 -31.588 18.331 1.00 0.00 H ATOM 897 HG23 VAL A 597 -2.737 -32.368 17.827 1.00 0.00 H ATOM 898 H VAL A 597 -5.505 -33.633 19.279 1.00 0.00 H ATOM 899 N GLN A 598 -5.595 -31.058 22.227 1.00 0.00 N ATOM 900 CA GLN A 598 -6.265 -29.796 22.548 1.00 0.00 C ATOM 901 C GLN A 598 -7.461 -29.543 21.631 1.00 0.00 C ATOM 902 O GLN A 598 -7.985 -28.430 21.581 1.00 0.00 O ATOM 903 CB GLN A 598 -5.274 -28.631 22.435 1.00 0.00 C ATOM 904 CG GLN A 598 -4.411 -28.565 23.697 1.00 0.00 C ATOM 905 CD GLN A 598 -5.235 -28.032 24.864 1.00 0.00 C ATOM 906 OE1 GLN A 598 -5.111 -28.519 25.988 1.00 0.00 O ATOM 907 NE2 GLN A 598 -6.075 -27.054 24.663 1.00 0.00 N ATOM 908 HA GLN A 598 -6.633 -29.869 23.571 1.00 0.00 H ATOM 909 HB2 GLN A 598 -4.634 -28.782 21.565 1.00 0.00 H ATOM 910 HB3 GLN A 598 -5.824 -27.697 22.322 1.00 0.00 H ATOM 911 HG2 GLN A 598 -4.046 -29.564 23.938 1.00 0.00 H ATOM 912 HG3 GLN A 598 -3.563 -27.903 23.521 1.00 0.00 H ATOM 913 HE22 GLN A 598 -6.178 -26.644 23.713 1.00 0.00 H ATOM 914 HE21 GLN A 598 -6.641 -26.684 25.453 1.00 0.00 H ATOM 915 H GLN A 598 -5.534 -31.797 22.957 1.00 0.00 H ATOM 916 N PHE A 599 -7.894 -30.574 20.912 1.00 0.00 N ATOM 917 CA PHE A 599 -9.037 -30.436 20.007 1.00 0.00 C ATOM 918 C PHE A 599 -9.930 -31.670 20.087 1.00 0.00 C ATOM 919 O PHE A 599 -9.849 -32.495 19.192 1.00 0.00 O ATOM 920 CB PHE A 599 -8.550 -30.247 18.564 1.00 0.00 C ATOM 921 CG PHE A 599 -8.291 -28.779 18.295 1.00 0.00 C ATOM 922 CD1 PHE A 599 -7.182 -28.145 18.870 1.00 0.00 C ATOM 923 CD2 PHE A 599 -9.167 -28.048 17.477 1.00 0.00 C ATOM 924 CE1 PHE A 599 -6.948 -26.786 18.629 1.00 0.00 C ATOM 925 CE2 PHE A 599 -8.932 -26.688 17.239 1.00 0.00 C ATOM 926 CZ PHE A 599 -7.823 -26.057 17.816 1.00 0.00 C ATOM 927 HA PHE A 599 -9.612 -29.561 20.310 1.00 0.00 H ATOM 928 OXT PHE A 599 -10.683 -31.771 21.042 1.00 0.00 O ATOM 929 HB2 PHE A 599 -7.628 -30.810 18.417 1.00 0.00 H ATOM 930 HB3 PHE A 599 -9.311 -30.612 17.875 1.00 0.00 H ATOM 931 HD2 PHE A 599 -10.030 -28.539 17.027 1.00 0.00 H ATOM 932 HE2 PHE A 599 -9.613 -26.120 16.604 1.00 0.00 H ATOM 933 HZ PHE A 599 -7.641 -24.998 17.632 1.00 0.00 H ATOM 934 HE1 PHE A 599 -6.083 -26.295 19.075 1.00 0.00 H ATOM 935 HD1 PHE A 599 -6.501 -28.710 19.506 1.00 0.00 H ATOM 936 H PHE A 599 -7.414 -31.493 20.994 1.00 0.00 H TER 937 PHE A 599 HETATM 938 N ASP A 1 -0.432 -47.068 17.606 1.00 0.24 N HETATM 939 CA ASP A 1 -1.615 -47.970 17.695 1.00 0.08 C HETATM 940 C ASP A 1 -2.595 -47.631 16.577 1.00 0.23 C HETATM 941 O ASP A 1 -2.393 -46.673 15.830 1.00 -0.39 O HETATM 942 N ASP A 1 -3.657 -48.422 16.467 1.00 -0.26 N HETATM 943 CA ASP A 1 -4.663 -48.196 15.436 1.00 0.15 C HETATM 944 C ASP A 1 -5.949 -48.945 15.770 1.00 0.21 C HETATM 945 O ASP A 1 -6.214 -49.257 16.931 1.00 -0.39 O HETATM 946 N ASP A 1 -6.746 -49.230 14.744 1.00 -0.27 N HETATM 947 CA ASP A 1 -8.003 -49.944 14.940 1.00 0.12 C HETATM 948 C ASP A 1 -9.126 -48.980 15.310 1.00 0.20 C HETATM 949 O ASP A 1 -10.291 -49.369 15.387 1.00 -0.39 O HETATM 950 N ASP A 1 -8.768 -47.720 15.537 1.00 -0.26 N HETATM 951 CA ASP A 1 -9.755 -46.710 15.897 1.00 0.14 C HETATM 952 C ASP A 1 -10.616 -46.345 14.686 1.00 0.21 C HETATM 953 O ASP A 1 -10.203 -46.537 13.542 1.00 -0.39 O HETATM 954 N ASP A 1 -11.816 -45.823 14.945 1.00 -0.26 N HETATM 955 CA ASP A 1 -12.729 -45.442 13.865 1.00 0.15 C HETATM 956 C ASP A 1 -13.441 -44.130 14.195 1.00 0.21 C HETATM 957 O ASP A 1 -13.623 -43.791 15.364 1.00 -0.39 O HETATM 958 N ASP A 1 -13.841 -43.397 13.154 1.00 -0.26 N HETATM 959 CA ASP A 1 -14.530 -42.118 13.342 1.00 0.14 C HETATM 960 C ASP A 1 -15.967 -42.189 12.830 1.00 0.21 C HETATM 961 O ASP A 1 -16.810 -42.877 13.405 1.00 -0.39 O HETATM 962 N ASP A 1 -16.235 -41.460 11.747 1.00 -0.27 N HETATM 963 CA ASP A 1 -17.568 -41.425 11.156 1.00 0.12 C HETATM 964 C ASP A 1 -18.264 -42.778 11.276 1.00 0.20 C HETATM 965 O ASP A 1 -17.690 -43.814 10.942 1.00 -0.39 O HETATM 966 N ASP A 1 -19.504 -42.758 11.756 1.00 -0.26 N HETATM 967 CA ASP A 1 -20.272 -43.988 11.919 1.00 0.15 C HETATM 968 C ASP A 1 -20.081 -44.906 10.716 1.00 0.21 C HETATM 969 O ASP A 1 -20.764 -44.767 9.702 1.00 -0.39 O HETATM 970 N ASP A 1 -19.148 -45.845 10.838 1.00 -0.27 N HETATM 971 CA ASP A 1 -18.873 -46.783 9.755 1.00 0.09 C HETATM 972 C ASP A 1 -19.866 -47.941 9.785 1.00 0.06 C HETATM 973 O ASP A 1 -20.288 -48.305 10.870 1.00 -0.57 O HETATM 974 OXT ASP A 1 -20.191 -48.445 8.722 1.00 -0.57 O HETATM 975 CB ASP A 1 -17.447 -47.326 9.886 1.00 -0.02 C HETATM 976 CG ASP A 1 -17.010 -47.947 8.558 1.00 -0.04 C HETATM 977 CD ASP A 1 -15.637 -48.602 8.726 1.00 -0.01 C HETATM 978 CE ASP A 1 -15.017 -48.851 7.350 1.00 -0.04 C HETATM 979 NZ ASP A 1 -15.927 -49.711 6.544 1.00 0.22 N HETATM 980 H ASP A 1 -15.513 -49.876 5.627 1.00 0.20 H HETATM 981 H ASP A 1 -16.064 -50.602 7.022 1.00 0.20 H HETATM 982 H ASP A 1 -16.826 -49.242 6.433 1.00 0.20 H HETATM 983 H ASP A 1 -14.056 -49.351 7.470 1.00 0.08 H HETATM 984 H ASP A 1 -14.870 -47.899 6.840 1.00 0.08 H HETATM 985 H ASP A 1 -15.750 -49.551 9.250 1.00 0.03 H HETATM 986 H ASP A 1 -14.988 -47.942 9.302 1.00 0.03 H HETATM 987 H ASP A 1 -16.950 -47.169 7.796 1.00 0.03 H HETATM 988 H ASP A 1 -17.736 -48.700 8.254 1.00 0.03 H HETATM 989 H ASP A 1 -17.419 -48.085 10.667 1.00 0.03 H HETATM 990 H ASP A 1 -16.771 -46.511 10.144 1.00 0.03 H HETATM 991 H ASP A 1 -18.976 -46.256 8.806 1.00 0.07 H HETATM 992 H ASP A 1 -18.614 -45.911 11.705 1.00 0.19 H HETATM 993 CB ASP A 1 -21.757 -43.657 12.079 1.00 0.08 C HETATM 994 OG ASP A 1 -21.914 -42.682 13.102 1.00 -0.39 O HETATM 995 H ASP A 1 -22.846 -42.473 13.203 1.00 0.21 H HETATM 996 H ASP A 1 -22.305 -44.560 12.348 1.00 0.06 H HETATM 997 H ASP A 1 -22.147 -43.266 11.139 1.00 0.06 H HETATM 998 H ASP A 1 -19.914 -44.501 12.812 1.00 0.08 H HETATM 999 H ASP A 1 -19.926 -41.866 12.015 1.00 0.19 H HETATM 1000 H ASP A 1 -17.472 -41.177 10.099 1.00 0.08 H HETATM 1001 H ASP A 1 -18.163 -40.681 11.686 1.00 0.08 H HETATM 1002 H ASP A 1 -15.488 -40.912 11.320 1.00 0.19 H HETATM 1003 CB ASP A 1 -13.782 -41.008 12.597 1.00 0.02 C HETATM 1004 CG ASP A 1 -12.558 -40.617 13.384 1.00 -0.04 C HETATM 1005 CD1 ASP A 1 -12.682 -39.789 14.507 1.00 -0.06 C HETATM 1006 CE1 ASP A 1 -11.544 -39.439 15.245 1.00 -0.07 C HETATM 1007 CZ ASP A 1 -10.281 -39.921 14.860 1.00 -0.07 C HETATM 1008 CE2 ASP A 1 -10.162 -40.749 13.734 1.00 -0.07 C HETATM 1009 CD2 ASP A 1 -11.301 -41.094 12.998 1.00 -0.06 C HETATM 1010 H ASP A 1 -11.209 -41.736 12.122 1.00 0.06 H HETATM 1011 H ASP A 1 -9.184 -41.123 13.433 1.00 0.06 H HETATM 1012 H ASP A 1 -9.395 -39.652 15.436 1.00 0.06 H HETATM 1013 H ASP A 1 -11.638 -38.793 16.118 1.00 0.06 H HETATM 1014 H ASP A 1 -13.662 -39.418 14.806 1.00 0.06 H HETATM 1015 H ASP A 1 -14.434 -40.142 12.482 1.00 0.05 H HETATM 1016 H ASP A 1 -13.483 -41.367 11.612 1.00 0.05 H HETATM 1017 H ASP A 1 -14.550 -41.899 14.410 1.00 0.08 H HETATM 1018 H ASP A 1 -13.663 -43.734 12.208 1.00 0.19 H HETATM 1019 CB ASP A 1 -13.766 -46.544 13.649 1.00 0.08 C HETATM 1020 OG ASP A 1 -13.105 -47.799 13.556 1.00 -0.39 O HETATM 1021 H ASP A 1 -13.755 -48.492 13.420 1.00 0.21 H HETATM 1022 H ASP A 1 -14.316 -46.352 12.728 1.00 0.06 H HETATM 1023 H ASP A 1 -14.462 -46.559 14.488 1.00 0.06 H HETATM 1024 H ASP A 1 -12.145 -45.304 12.955 1.00 0.08 H HETATM 1025 H ASP A 1 -12.103 -45.687 15.914 1.00 0.19 H HETATM 1026 CB ASP A 1 -9.052 -45.459 16.431 1.00 0.02 C HETATM 1027 CG ASP A 1 -10.083 -44.408 16.743 1.00 -0.04 C HETATM 1028 CD1 ASP A 1 -10.493 -43.512 15.750 1.00 -0.06 C HETATM 1029 CE1 ASP A 1 -11.451 -42.552 16.040 1.00 -0.07 C HETATM 1030 CZ ASP A 1 -12.013 -42.473 17.316 1.00 -0.07 C HETATM 1031 CE2 ASP A 1 -11.608 -43.363 18.313 1.00 -0.07 C HETATM 1032 CD2 ASP A 1 -10.641 -44.333 18.027 1.00 -0.06 C HETATM 1033 H ASP A 1 -10.322 -45.030 18.802 1.00 0.06 H HETATM 1034 H ASP A 1 -12.044 -43.302 19.310 1.00 0.06 H HETATM 1035 H ASP A 1 -12.767 -41.717 17.534 1.00 0.06 H HETATM 1036 H ASP A 1 -11.768 -41.853 15.266 1.00 0.06 H HETATM 1037 H ASP A 1 -10.061 -43.568 14.751 1.00 0.06 H HETATM 1038 H ASP A 1 -8.359 -45.080 15.680 1.00 0.05 H HETATM 1039 H ASP A 1 -8.498 -45.709 17.336 1.00 0.05 H HETATM 1040 H ASP A 1 -10.401 -47.118 16.674 1.00 0.08 H HETATM 1041 H ASP A 1 -7.786 -47.456 15.458 1.00 0.19 H HETATM 1042 H ASP A 1 -7.876 -50.661 15.751 1.00 0.08 H HETATM 1043 H ASP A 1 -8.267 -50.449 14.011 1.00 0.08 H HETATM 1044 H ASP A 1 -6.473 -48.944 13.803 1.00 0.19 H HETATM 1045 CB ASP A 1 -4.135 -48.663 14.079 1.00 0.08 C HETATM 1046 OG ASP A 1 -5.150 -48.500 13.098 1.00 -0.39 O HETATM 1047 H ASP A 1 -4.820 -48.793 12.246 1.00 0.21 H HETATM 1048 H ASP A 1 -3.852 -49.714 14.140 1.00 0.06 H HETATM 1049 H ASP A 1 -3.263 -48.070 13.803 1.00 0.06 H HETATM 1050 H ASP A 1 -4.878 -47.128 15.393 1.00 0.08 H HETATM 1051 H ASP A 1 -3.771 -49.201 17.115 1.00 0.19 H HETATM 1052 CB ASP A 1 -2.291 -47.786 19.055 1.00 0.06 C HETATM 1053 CG ASP A 1 -2.596 -46.310 19.290 1.00 0.04 C HETATM 1054 OD1 ASP A 1 -1.723 -45.616 19.783 1.00 -0.57 O HETATM 1055 OD2 ASP A 1 -3.699 -45.896 18.973 1.00 -0.57 O HETATM 1056 H ASP A 1 -1.623 -48.144 19.839 1.00 0.05 H HETATM 1057 H ASP A 1 -3.222 -48.352 19.072 1.00 0.05 H HETATM 1058 H ASP A 1 -1.297 -49.007 17.590 1.00 0.11 H HETATM 1059 H ASP A 1 0.019 -47.190 16.700 1.00 0.20 H HETATM 1060 H ASP A 1 -0.736 -46.100 17.708 1.00 0.20 H HETATM 1061 H ASP A 1 0.227 -47.299 18.349 1.00 0.20 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 938 939 1059 1060 1061 CONECT 939 938 940 1052 1058 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 943 1051 CONECT 943 942 944 1045 1050 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 947 1044 CONECT 947 946 948 1042 1043 CONECT 948 947 949 950 CONECT 949 948 CONECT 950 948 951 1041 CONECT 951 950 952 1026 1040 CONECT 952 951 953 954 CONECT 953 952 CONECT 954 952 955 1025 CONECT 955 954 956 1019 1024 CONECT 956 955 957 958 CONECT 957 956 CONECT 958 956 959 1018 CONECT 959 958 960 1003 1017 CONECT 960 959 961 962 CONECT 961 960 CONECT 962 960 963 1002 CONECT 963 962 964 1000 1001 CONECT 964 963 965 966 CONECT 965 964 CONECT 966 964 967 999 CONECT 967 966 968 993 998 CONECT 968 967 969 970 CONECT 969 968 CONECT 970 968 971 992 CONECT 971 970 972 975 991 CONECT 972 971 973 974 CONECT 973 972 CONECT 974 972 CONECT 975 971 976 989 990 CONECT 976 975 977 987 988 CONECT 977 976 978 985 986 CONECT 978 977 979 983 984 CONECT 979 978 980 981 982 CONECT 980 979 CONECT 981 979 CONECT 982 979 CONECT 983 978 CONECT 984 978 CONECT 985 977 CONECT 986 977 CONECT 987 976 CONECT 988 976 CONECT 989 975 CONECT 990 975 CONECT 991 971 CONECT 992 970 CONECT 993 967 994 996 997 CONECT 994 993 995 CONECT 995 994 CONECT 996 993 CONECT 997 993 CONECT 998 967 CONECT 999 966 CONECT 1000 963 CONECT 1001 963 CONECT 1002 962 CONECT 1003 959 1004 1015 1016 CONECT 1004 1003 1005 1009 CONECT 1005 1004 1006 1014 CONECT 1006 1005 1007 1013 CONECT 1007 1006 1008 1012 CONECT 1008 1007 1009 1011 CONECT 1009 1004 1008 1010 CONECT 1010 1009 CONECT 1011 1008 CONECT 1012 1007 CONECT 1013 1006 CONECT 1014 1005 CONECT 1015 1003 CONECT 1016 1003 CONECT 1017 959 CONECT 1018 958 CONECT 1019 955 1020 1022 1023 CONECT 1020 1019 1021 CONECT 1021 1020 CONECT 1022 1019 CONECT 1023 1019 CONECT 1024 955 CONECT 1025 954 CONECT 1026 951 1027 1038 1039 CONECT 1027 1026 1028 1032 CONECT 1028 1027 1029 1037 CONECT 1029 1028 1030 1036 CONECT 1030 1029 1031 1035 CONECT 1031 1030 1032 1034 CONECT 1032 1027 1031 1033 CONECT 1033 1032 CONECT 1034 1031 CONECT 1035 1030 CONECT 1036 1029 CONECT 1037 1028 CONECT 1038 1026 CONECT 1039 1026 CONECT 1040 951 CONECT 1041 950 CONECT 1042 947 CONECT 1043 947 CONECT 1044 946 CONECT 1045 943 1046 1048 1049 CONECT 1046 1045 1047 CONECT 1047 1046 CONECT 1048 1045 CONECT 1049 1045 CONECT 1050 943 CONECT 1051 942 CONECT 1052 939 1053 1056 1057 CONECT 1053 1052 1054 1055 CONECT 1054 1053 CONECT 1055 1053 CONECT 1056 1052 CONECT 1057 1052 CONECT 1058 939 CONECT 1059 938 CONECT 1060 938 CONECT 1061 938 MASTER 0 0 0 0 0 0 0 0 1060 1 128 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2khh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
2khh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mRNA export factor Mex67
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=276nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Biol.Chem. Vol. 284: pp. 17575-17583
Ligand Properties
Formula
C
4
1
H
6
0
N
1
0
O
1
5
Molecular Weight
932.973
Exact Mass
932.424
No. of atoms
126
No. of bonds
127
Polar Surface Area
423.37
LOGP Value
-6.86 (
Computed with XLOGP3
)
-4.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CO)CO)Cc1ccccc1)CO
InChI String
InChI=1S/C41H58N10O15/c42-14-8-7-13-26(41(65)66)48-39(63)30(21-53)47-33(56)19-44-36(60)27(15-23-9-3-1-4-10-23)49-40(64)31(22-54)51-38(62)28(16-24-11-5-2-6-12-24)46-32(55)18-45-37(61)29(20-52)50-35(59)25(43)17-34(57)58/h1-6,9-12,25-31,52-54H,7-8,13-22,42-43H2,(H,44,60)(H,45,61)(H,46,55)(H,47,56)(H,48,63)(H,49,64)(H,50,59)(H,51,62)(H,57,58)(H,65,66)/p+2/t25-,26-,27-,28-,29-,30-,31-/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):
Q99257
Entrez Gene ID
NCBI Entrez Gene ID:
855934
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓