Browse entries in the PDBbind-CN Database
HEADER 2L6J_COMPLEX COMPND 2L6J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 MET SER GLN PHE GLU LYS GLN LYS GLU GLN GLY ASN SER SEQRES 2 A 111 LEU PHE LYS GLN GLY LEU TYR ARG GLU ALA VAL HIS CYS SEQRES 3 A 111 TYR ASP GLN LEU ILE THR ALA GLN PRO GLN ASN PRO VAL SEQRES 4 A 111 GLY TYR SER ASN LYS ALA MET ALA LEU ILE LYS LEU GLY SEQRES 5 A 111 GLU TYR THR GLN ALA ILE GLN MET CYS GLN GLN GLY LEU SEQRES 6 A 111 ARG TYR THR SER THR ALA GLU HIS VAL ALA ILE ARG SER SEQRES 7 A 111 LYS LEU GLN TYR ARG LEU GLU LEU ALA GLN GLY ALA VAL SEQRES 8 A 111 GLY SER VAL GLN ILE PRO VAL VAL GLU VAL ASP GLU LEU SEQRES 9 A 111 PRO GLU GLY TYR ASP ARG SER HET MET A 112 78 ATOM 1 N MET A 1 13.633 11.900 -15.410 1.00 0.00 N ATOM 2 CA MET A 1 13.502 12.085 -13.943 1.00 0.00 C ATOM 3 C MET A 1 13.452 10.734 -13.194 1.00 0.00 C ATOM 4 O MET A 1 12.863 10.614 -12.119 1.00 0.00 O ATOM 5 CB MET A 1 12.298 13.012 -13.651 1.00 0.00 C ATOM 6 CG MET A 1 12.137 13.490 -12.197 1.00 0.00 C ATOM 7 SD MET A 1 13.628 14.160 -11.412 1.00 0.00 S ATOM 8 CE MET A 1 13.659 15.805 -12.176 1.00 0.00 C ATOM 9 HA MET A 1 14.393 12.578 -13.554 1.00 0.00 H ATOM 10 HB2 MET A 1 12.399 13.896 -14.281 1.00 0.00 H ATOM 11 HB3 MET A 1 11.391 12.474 -13.925 1.00 0.00 H ATOM 12 HG2 MET A 1 11.799 12.642 -11.602 1.00 0.00 H ATOM 13 HG3 MET A 1 11.374 14.268 -12.184 1.00 0.00 H ATOM 14 HE1 MET A 1 13.733 15.700 -13.258 1.00 0.00 H ATOM 15 HE2 MET A 1 12.743 16.339 -11.923 1.00 0.00 H ATOM 16 HE3 MET A 1 14.520 16.361 -11.804 1.00 0.00 H ATOM 17 HN3 MET A 1 12.818 11.360 -15.764 1.00 0.00 H ATOM 18 HN2 MET A 1 14.510 11.380 -15.616 1.00 0.00 H ATOM 19 HN1 MET A 1 13.663 12.830 -15.874 1.00 0.00 H ATOM 20 N SER A 2 14.120 9.689 -13.698 1.00 0.00 N ATOM 21 CA SER A 2 13.983 8.304 -13.207 1.00 0.00 C ATOM 22 C SER A 2 14.542 8.093 -11.792 1.00 0.00 C ATOM 23 O SER A 2 14.086 7.207 -11.070 1.00 0.00 O ATOM 24 CB SER A 2 14.664 7.336 -14.181 1.00 0.00 C ATOM 25 OG SER A 2 14.300 7.629 -15.521 1.00 0.00 O ATOM 26 HA SER A 2 12.913 8.103 -13.151 1.00 0.00 H ATOM 27 HB2 SER A 2 14.360 6.317 -13.943 1.00 0.00 H ATOM 28 HB3 SER A 2 15.745 7.425 -14.077 1.00 0.00 H ATOM 29 HG SER A 2 14.751 6.993 -16.131 1.00 0.00 H ATOM 30 H SER A 2 14.777 9.864 -14.485 1.00 0.00 H ATOM 31 N GLN A 3 15.457 8.959 -11.340 1.00 0.00 N ATOM 32 CA GLN A 3 16.000 8.925 -9.978 1.00 0.00 C ATOM 33 C GLN A 3 14.899 8.988 -8.906 1.00 0.00 C ATOM 34 O GLN A 3 14.957 8.247 -7.922 1.00 0.00 O ATOM 35 CB GLN A 3 17.016 10.065 -9.801 1.00 0.00 C ATOM 36 CG GLN A 3 18.324 9.801 -10.568 1.00 0.00 C ATOM 37 CD GLN A 3 19.131 8.658 -9.960 1.00 0.00 C ATOM 38 OE1 GLN A 3 19.061 7.508 -10.375 1.00 0.00 O ATOM 39 NE2 GLN A 3 19.895 8.922 -8.927 1.00 0.00 N ATOM 40 HA GLN A 3 16.505 7.969 -9.840 1.00 0.00 H ATOM 41 HB2 GLN A 3 16.573 10.991 -10.169 1.00 0.00 H ATOM 42 HB3 GLN A 3 17.245 10.170 -8.741 1.00 0.00 H ATOM 43 HG2 GLN A 3 18.081 9.549 -11.600 1.00 0.00 H ATOM 44 HG3 GLN A 3 18.930 10.707 -10.550 1.00 0.00 H ATOM 45 HE22 GLN A 3 19.963 9.895 -8.565 1.00 0.00 H ATOM 46 HE21 GLN A 3 20.433 8.159 -8.470 1.00 0.00 H ATOM 47 H GLN A 3 15.801 9.695 -11.989 1.00 0.00 H ATOM 48 N PHE A 4 13.837 9.774 -9.124 1.00 0.00 N ATOM 49 CA PHE A 4 12.727 9.877 -8.167 1.00 0.00 C ATOM 50 C PHE A 4 11.798 8.640 -8.151 1.00 0.00 C ATOM 51 O PHE A 4 10.994 8.482 -7.232 1.00 0.00 O ATOM 52 CB PHE A 4 12.030 11.251 -8.295 1.00 0.00 C ATOM 53 CG PHE A 4 10.541 11.262 -8.600 1.00 0.00 C ATOM 54 CD1 PHE A 4 10.055 10.660 -9.775 1.00 0.00 C ATOM 55 CD2 PHE A 4 9.644 11.906 -7.723 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.675 10.647 -10.039 1.00 0.00 C ATOM 57 CE2 PHE A 4 8.262 11.917 -7.995 1.00 0.00 C ATOM 58 CZ PHE A 4 7.784 11.273 -9.151 1.00 0.00 C ATOM 59 HA PHE A 4 13.139 9.850 -7.158 1.00 0.00 H ATOM 60 HB2 PHE A 4 12.173 11.778 -7.352 1.00 0.00 H ATOM 61 HB3 PHE A 4 12.530 11.797 -9.095 1.00 0.00 H ATOM 62 HD2 PHE A 4 10.023 12.399 -6.828 1.00 0.00 H ATOM 63 HE2 PHE A 4 7.571 12.419 -7.318 1.00 0.00 H ATOM 64 HZ PHE A 4 6.714 11.260 -9.359 1.00 0.00 H ATOM 65 HE1 PHE A 4 8.296 10.151 -10.933 1.00 0.00 H ATOM 66 HD1 PHE A 4 10.749 10.204 -10.481 1.00 0.00 H ATOM 67 H PHE A 4 13.797 10.331 -10.001 1.00 0.00 H ATOM 68 N GLU A 5 11.931 7.723 -9.117 1.00 0.00 N ATOM 69 CA GLU A 5 11.246 6.424 -9.149 1.00 0.00 C ATOM 70 C GLU A 5 12.052 5.332 -8.426 1.00 0.00 C ATOM 71 O GLU A 5 11.465 4.518 -7.709 1.00 0.00 O ATOM 72 CB GLU A 5 10.962 6.022 -10.605 1.00 0.00 C ATOM 73 CG GLU A 5 10.014 6.976 -11.351 1.00 0.00 C ATOM 74 CD GLU A 5 8.536 6.735 -11.021 1.00 0.00 C ATOM 75 OE1 GLU A 5 8.165 6.631 -9.831 1.00 0.00 O ATOM 76 OE2 GLU A 5 7.726 6.637 -11.976 1.00 0.00 O ATOM 77 HA GLU A 5 10.301 6.526 -8.615 1.00 0.00 H ATOM 78 HB2 GLU A 5 11.910 5.993 -11.143 1.00 0.00 H ATOM 79 HB3 GLU A 5 10.515 5.028 -10.604 1.00 0.00 H ATOM 80 HG2 GLU A 5 10.268 8.001 -11.079 1.00 0.00 H ATOM 81 HG3 GLU A 5 10.157 6.840 -12.423 1.00 0.00 H ATOM 82 H GLU A 5 12.569 7.948 -9.907 1.00 0.00 H ATOM 83 N LYS A 6 13.392 5.344 -8.523 1.00 0.00 N ATOM 84 CA LYS A 6 14.249 4.409 -7.766 1.00 0.00 C ATOM 85 C LYS A 6 14.481 4.825 -6.307 1.00 0.00 C ATOM 86 O LYS A 6 14.684 3.947 -5.465 1.00 0.00 O ATOM 87 CB LYS A 6 15.517 4.032 -8.560 1.00 0.00 C ATOM 88 CG LYS A 6 16.526 5.149 -8.883 1.00 0.00 C ATOM 89 CD LYS A 6 17.450 5.605 -7.741 1.00 0.00 C ATOM 90 CE LYS A 6 18.311 4.458 -7.195 1.00 0.00 C ATOM 91 NZ LYS A 6 19.275 4.944 -6.183 1.00 0.00 N ATOM 92 HA LYS A 6 13.694 3.477 -7.658 1.00 0.00 H ATOM 93 HB2 LYS A 6 16.047 3.273 -7.984 1.00 0.00 H ATOM 94 HB3 LYS A 6 15.191 3.605 -9.508 1.00 0.00 H ATOM 95 HG2 LYS A 6 17.159 4.796 -9.698 1.00 0.00 H ATOM 96 HG3 LYS A 6 15.959 6.019 -9.215 1.00 0.00 H ATOM 97 HD2 LYS A 6 18.107 6.390 -8.114 1.00 0.00 H ATOM 98 HD3 LYS A 6 16.837 6.000 -6.931 1.00 0.00 H ATOM 99 HE2 LYS A 6 18.860 4.003 -8.019 1.00 0.00 H ATOM 100 HE3 LYS A 6 17.661 3.712 -6.737 1.00 0.00 H ATOM 101 HZ1 LYS A 6 19.902 5.652 -6.615 1.00 0.00 H ATOM 102 HZ2 LYS A 6 18.757 5.375 -5.391 1.00 0.00 H ATOM 103 HZ3 LYS A 6 19.842 4.145 -5.834 1.00 0.00 H ATOM 104 H LYS A 6 13.842 6.037 -9.154 1.00 0.00 H ATOM 105 N GLN A 7 14.365 6.116 -5.965 1.00 0.00 N ATOM 106 CA GLN A 7 14.470 6.587 -4.577 1.00 0.00 C ATOM 107 C GLN A 7 13.226 6.236 -3.730 1.00 0.00 C ATOM 108 O GLN A 7 13.358 5.947 -2.540 1.00 0.00 O ATOM 109 CB GLN A 7 14.882 8.078 -4.541 1.00 0.00 C ATOM 110 CG GLN A 7 13.763 9.124 -4.390 1.00 0.00 C ATOM 111 CD GLN A 7 14.293 10.564 -4.437 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.090 11.306 -5.391 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.972 11.033 -3.415 1.00 0.00 N ATOM 114 HA GLN A 7 15.274 6.039 -4.085 1.00 0.00 H ATOM 115 HB2 GLN A 7 15.565 8.208 -3.701 1.00 0.00 H ATOM 116 HB3 GLN A 7 15.407 8.294 -5.472 1.00 0.00 H ATOM 117 HG2 GLN A 7 13.046 8.989 -5.200 1.00 0.00 H ATOM 118 HG3 GLN A 7 13.263 8.966 -3.434 1.00 0.00 H ATOM 119 HE22 GLN A 7 15.159 10.425 -2.592 1.00 0.00 H ATOM 120 HE21 GLN A 7 15.323 12.012 -3.429 1.00 0.00 H ATOM 121 H GLN A 7 14.193 6.815 -6.715 1.00 0.00 H ATOM 122 N LYS A 8 12.025 6.150 -4.335 1.00 0.00 N ATOM 123 CA LYS A 8 10.821 5.644 -3.639 1.00 0.00 C ATOM 124 C LYS A 8 10.846 4.123 -3.427 1.00 0.00 C ATOM 125 O LYS A 8 10.425 3.650 -2.373 1.00 0.00 O ATOM 126 CB LYS A 8 9.521 6.160 -4.287 1.00 0.00 C ATOM 127 CG LYS A 8 9.249 5.725 -5.736 1.00 0.00 C ATOM 128 CD LYS A 8 7.841 6.121 -6.219 1.00 0.00 C ATOM 129 CE LYS A 8 7.570 7.627 -6.372 1.00 0.00 C ATOM 130 NZ LYS A 8 8.197 8.187 -7.592 1.00 0.00 N ATOM 131 HA LYS A 8 10.839 6.063 -2.633 1.00 0.00 H ATOM 132 HB2 LYS A 8 8.687 5.813 -3.676 1.00 0.00 H ATOM 133 HB3 LYS A 8 9.554 7.249 -4.270 1.00 0.00 H ATOM 134 HG2 LYS A 8 9.987 6.195 -6.386 1.00 0.00 H ATOM 135 HG3 LYS A 8 9.348 4.641 -5.800 1.00 0.00 H ATOM 136 HD2 LYS A 8 7.680 5.654 -7.191 1.00 0.00 H ATOM 137 HD3 LYS A 8 7.121 5.725 -5.503 1.00 0.00 H ATOM 138 HE2 LYS A 8 7.970 8.146 -5.501 1.00 0.00 H ATOM 139 HE3 LYS A 8 6.493 7.787 -6.425 1.00 0.00 H ATOM 140 HZ1 LYS A 8 9.226 8.046 -7.547 1.00 0.00 H ATOM 141 HZ2 LYS A 8 7.816 7.703 -8.430 1.00 0.00 H ATOM 142 HZ3 LYS A 8 7.987 9.204 -7.653 1.00 0.00 H ATOM 143 H LYS A 8 11.941 6.450 -5.327 1.00 0.00 H ATOM 144 N GLU A 9 11.444 3.374 -4.354 1.00 0.00 N ATOM 145 CA GLU A 9 11.737 1.942 -4.177 1.00 0.00 C ATOM 146 C GLU A 9 12.781 1.683 -3.075 1.00 0.00 C ATOM 147 O GLU A 9 12.612 0.753 -2.280 1.00 0.00 O ATOM 148 CB GLU A 9 12.171 1.335 -5.525 1.00 0.00 C ATOM 149 CG GLU A 9 10.964 0.999 -6.420 1.00 0.00 C ATOM 150 CD GLU A 9 10.347 -0.364 -6.058 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.312 -0.718 -4.857 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.813 -1.095 -6.932 1.00 0.00 O ATOM 153 HA GLU A 9 10.824 1.449 -3.842 1.00 0.00 H ATOM 154 HB2 GLU A 9 12.807 2.051 -6.045 1.00 0.00 H ATOM 155 HB3 GLU A 9 12.734 0.421 -5.335 1.00 0.00 H ATOM 156 HG2 GLU A 9 10.207 1.773 -6.297 1.00 0.00 H ATOM 157 HG3 GLU A 9 11.291 0.974 -7.459 1.00 0.00 H ATOM 158 H GLU A 9 11.718 3.825 -5.250 1.00 0.00 H ATOM 159 N GLN A 10 13.797 2.549 -2.932 1.00 0.00 N ATOM 160 CA GLN A 10 14.691 2.516 -1.764 1.00 0.00 C ATOM 161 C GLN A 10 13.890 2.722 -0.464 1.00 0.00 C ATOM 162 O GLN A 10 14.067 1.968 0.489 1.00 0.00 O ATOM 163 CB GLN A 10 15.812 3.568 -1.892 1.00 0.00 C ATOM 164 CG GLN A 10 16.929 3.323 -0.858 1.00 0.00 C ATOM 165 CD GLN A 10 17.846 4.528 -0.659 1.00 0.00 C ATOM 166 OE1 GLN A 10 18.930 4.627 -1.214 1.00 0.00 O ATOM 167 NE2 GLN A 10 17.463 5.488 0.151 1.00 0.00 N ATOM 168 HA GLN A 10 15.161 1.533 -1.725 1.00 0.00 H ATOM 169 HB2 GLN A 10 16.237 3.514 -2.894 1.00 0.00 H ATOM 170 HB3 GLN A 10 15.389 4.560 -1.731 1.00 0.00 H ATOM 171 HG2 GLN A 10 16.467 3.078 0.098 1.00 0.00 H ATOM 172 HG3 GLN A 10 17.533 2.481 -1.195 1.00 0.00 H ATOM 173 HE22 GLN A 10 16.544 5.425 0.634 1.00 0.00 H ATOM 174 HE21 GLN A 10 18.078 6.311 0.309 1.00 0.00 H ATOM 175 H GLN A 10 13.957 3.265 -3.669 1.00 0.00 H ATOM 176 N GLY A 11 12.962 3.686 -0.437 1.00 0.00 N ATOM 177 CA GLY A 11 12.070 3.922 0.705 1.00 0.00 C ATOM 178 C GLY A 11 11.273 2.678 1.123 1.00 0.00 C ATOM 179 O GLY A 11 11.320 2.285 2.290 1.00 0.00 O ATOM 180 HA3 GLY A 11 11.366 4.710 0.437 1.00 0.00 H ATOM 181 HA2 GLY A 11 12.672 4.248 1.553 1.00 0.00 H ATOM 182 H GLY A 11 12.868 4.301 -1.270 1.00 0.00 H ATOM 183 N ASN A 12 10.602 2.004 0.180 1.00 0.00 N ATOM 184 CA ASN A 12 9.851 0.772 0.474 1.00 0.00 C ATOM 185 C ASN A 12 10.766 -0.350 1.003 1.00 0.00 C ATOM 186 O ASN A 12 10.435 -1.025 1.981 1.00 0.00 O ATOM 187 CB ASN A 12 9.087 0.329 -0.788 1.00 0.00 C ATOM 188 CG ASN A 12 7.922 -0.611 -0.488 1.00 0.00 C ATOM 189 OD1 ASN A 12 7.474 -0.743 0.639 1.00 0.00 O ATOM 190 ND2 ASN A 12 7.374 -1.289 -1.467 1.00 0.00 N ATOM 191 HA ASN A 12 9.136 0.982 1.269 1.00 0.00 H ATOM 192 HB2 ASN A 12 8.697 1.216 -1.286 1.00 0.00 H ATOM 193 HB3 ASN A 12 9.783 -0.183 -1.453 1.00 0.00 H ATOM 194 HD22 ASN A 12 7.740 -1.192 -2.436 1.00 0.00 H ATOM 195 HD21 ASN A 12 6.573 -1.924 -1.275 1.00 0.00 H ATOM 196 H ASN A 12 10.612 2.364 -0.796 1.00 0.00 H ATOM 197 N SER A 13 11.956 -0.482 0.410 1.00 0.00 N ATOM 198 CA SER A 13 12.975 -1.462 0.805 1.00 0.00 C ATOM 199 C SER A 13 13.507 -1.213 2.225 1.00 0.00 C ATOM 200 O SER A 13 13.725 -2.158 2.983 1.00 0.00 O ATOM 201 CB SER A 13 14.133 -1.448 -0.202 1.00 0.00 C ATOM 202 OG SER A 13 13.661 -1.619 -1.529 1.00 0.00 O ATOM 203 HA SER A 13 12.500 -2.443 0.806 1.00 0.00 H ATOM 204 HB2 SER A 13 14.823 -2.257 0.037 1.00 0.00 H ATOM 205 HB3 SER A 13 14.655 -0.494 -0.130 1.00 0.00 H ATOM 206 HG SER A 13 13.037 -0.884 -1.754 1.00 0.00 H ATOM 207 H SER A 13 12.175 0.152 -0.385 1.00 0.00 H ATOM 208 N LEU A 14 13.661 0.051 2.636 1.00 0.00 N ATOM 209 CA LEU A 14 14.082 0.437 3.990 1.00 0.00 C ATOM 210 C LEU A 14 12.994 0.143 5.042 1.00 0.00 C ATOM 211 O LEU A 14 13.313 -0.395 6.108 1.00 0.00 O ATOM 212 CB LEU A 14 14.500 1.920 3.977 1.00 0.00 C ATOM 213 CG LEU A 14 15.822 2.208 3.239 1.00 0.00 C ATOM 214 CD1 LEU A 14 15.953 3.712 2.996 1.00 0.00 C ATOM 215 CD2 LEU A 14 17.042 1.753 4.038 1.00 0.00 C ATOM 216 HA LEU A 14 14.939 -0.168 4.284 1.00 0.00 H ATOM 217 HB2 LEU A 14 13.709 2.492 3.493 1.00 0.00 H ATOM 218 HB3 LEU A 14 14.607 2.252 5.010 1.00 0.00 H ATOM 219 HG LEU A 14 15.793 1.653 2.301 1.00 0.00 H ATOM 220 HD21 LEU A 14 17.066 2.278 4.993 1.00 0.00 H ATOM 221 HD22 LEU A 14 16.980 0.679 4.214 1.00 0.00 H ATOM 222 HD23 LEU A 14 17.948 1.978 3.475 1.00 0.00 H ATOM 223 HD11 LEU A 14 15.115 4.055 2.389 1.00 0.00 H ATOM 224 HD12 LEU A 14 15.949 4.235 3.952 1.00 0.00 H ATOM 225 HD13 LEU A 14 16.888 3.914 2.474 1.00 0.00 H ATOM 226 H LEU A 14 13.470 0.811 1.952 1.00 0.00 H ATOM 227 N PHE A 15 11.708 0.365 4.726 1.00 0.00 N ATOM 228 CA PHE A 15 10.589 -0.138 5.547 1.00 0.00 C ATOM 229 C PHE A 15 10.567 -1.671 5.636 1.00 0.00 C ATOM 230 O PHE A 15 10.134 -2.226 6.645 1.00 0.00 O ATOM 231 CB PHE A 15 9.237 0.361 5.014 1.00 0.00 C ATOM 232 CG PHE A 15 8.940 1.823 5.294 1.00 0.00 C ATOM 233 CD1 PHE A 15 8.741 2.247 6.622 1.00 0.00 C ATOM 234 CD2 PHE A 15 8.787 2.747 4.242 1.00 0.00 C ATOM 235 CE1 PHE A 15 8.486 3.599 6.906 1.00 0.00 C ATOM 236 CE2 PHE A 15 8.512 4.098 4.523 1.00 0.00 C ATOM 237 CZ PHE A 15 8.385 4.527 5.857 1.00 0.00 C ATOM 238 HA PHE A 15 10.751 0.257 6.550 1.00 0.00 H ATOM 239 HB2 PHE A 15 9.223 0.213 3.934 1.00 0.00 H ATOM 240 HB3 PHE A 15 8.450 -0.238 5.472 1.00 0.00 H ATOM 241 HD2 PHE A 15 8.882 2.415 3.208 1.00 0.00 H ATOM 242 HE2 PHE A 15 8.397 4.812 3.707 1.00 0.00 H ATOM 243 HZ PHE A 15 8.208 5.580 6.076 1.00 0.00 H ATOM 244 HE1 PHE A 15 8.367 3.927 7.939 1.00 0.00 H ATOM 245 HD1 PHE A 15 8.785 1.522 7.435 1.00 0.00 H ATOM 246 H PHE A 15 11.492 0.913 3.869 1.00 0.00 H ATOM 247 N LYS A 16 11.077 -2.368 4.613 1.00 0.00 N ATOM 248 CA LYS A 16 11.238 -3.834 4.586 1.00 0.00 C ATOM 249 C LYS A 16 12.411 -4.373 5.418 1.00 0.00 C ATOM 250 O LYS A 16 12.504 -5.588 5.585 1.00 0.00 O ATOM 251 CB LYS A 16 11.293 -4.314 3.117 1.00 0.00 C ATOM 252 CG LYS A 16 10.249 -5.383 2.756 1.00 0.00 C ATOM 253 CD LYS A 16 8.788 -5.040 3.109 1.00 0.00 C ATOM 254 CE LYS A 16 8.348 -3.599 2.818 1.00 0.00 C ATOM 255 NZ LYS A 16 8.182 -3.350 1.375 1.00 0.00 N ATOM 256 HA LYS A 16 10.363 -4.256 5.080 1.00 0.00 H ATOM 257 HB2 LYS A 16 11.135 -3.451 2.470 1.00 0.00 H ATOM 258 HB3 LYS A 16 12.284 -4.729 2.931 1.00 0.00 H ATOM 259 HG2 LYS A 16 10.302 -5.553 1.681 1.00 0.00 H ATOM 260 HG3 LYS A 16 10.514 -6.300 3.282 1.00 0.00 H ATOM 261 HD2 LYS A 16 8.141 -5.708 2.540 1.00 0.00 H ATOM 262 HD3 LYS A 16 8.650 -5.223 4.175 1.00 0.00 H ATOM 263 HE2 LYS A 16 9.102 -2.915 3.208 1.00 0.00 H ATOM 264 HE3 LYS A 16 7.398 -3.414 3.318 1.00 0.00 H ATOM 265 HZ1 LYS A 16 9.086 -3.517 0.889 1.00 0.00 H ATOM 266 HZ2 LYS A 16 7.459 -3.993 0.994 1.00 0.00 H ATOM 267 HZ3 LYS A 16 7.884 -2.365 1.226 1.00 0.00 H ATOM 268 H LYS A 16 11.383 -1.835 3.774 1.00 0.00 H ATOM 269 N GLN A 17 13.272 -3.512 5.969 1.00 0.00 N ATOM 270 CA GLN A 17 14.342 -3.877 6.923 1.00 0.00 C ATOM 271 C GLN A 17 14.081 -3.348 8.346 1.00 0.00 C ATOM 272 O GLN A 17 14.482 -3.973 9.328 1.00 0.00 O ATOM 273 CB GLN A 17 15.683 -3.340 6.399 1.00 0.00 C ATOM 274 CG GLN A 17 16.229 -4.181 5.233 1.00 0.00 C ATOM 275 CD GLN A 17 17.089 -3.349 4.295 1.00 0.00 C ATOM 276 OE1 GLN A 17 18.315 -3.380 4.301 1.00 0.00 O ATOM 277 NE2 GLN A 17 16.463 -2.558 3.455 1.00 0.00 N ATOM 278 HA GLN A 17 14.365 -4.964 6.995 1.00 0.00 H ATOM 279 HB2 GLN A 17 15.541 -2.315 6.057 1.00 0.00 H ATOM 280 HB3 GLN A 17 16.409 -3.353 7.212 1.00 0.00 H ATOM 281 HG2 GLN A 17 16.831 -4.995 5.636 1.00 0.00 H ATOM 282 HG3 GLN A 17 15.391 -4.594 4.672 1.00 0.00 H ATOM 283 HE22 GLN A 17 15.423 -2.528 3.446 1.00 0.00 H ATOM 284 HE21 GLN A 17 17.007 -1.962 2.799 1.00 0.00 H ATOM 285 H GLN A 17 13.183 -2.509 5.707 1.00 0.00 H ATOM 286 N GLY A 18 13.410 -2.199 8.465 1.00 0.00 N ATOM 287 CA GLY A 18 13.113 -1.541 9.752 1.00 0.00 C ATOM 288 C GLY A 18 13.798 -0.183 9.944 1.00 0.00 C ATOM 289 O GLY A 18 13.737 0.396 11.028 1.00 0.00 O ATOM 290 HA3 GLY A 18 13.436 -2.203 10.556 1.00 0.00 H ATOM 291 HA2 GLY A 18 12.035 -1.391 9.818 1.00 0.00 H ATOM 292 H GLY A 18 13.075 -1.739 7.595 1.00 0.00 H ATOM 293 N LEU A 19 14.424 0.354 8.893 1.00 0.00 N ATOM 294 CA LEU A 19 15.072 1.671 8.855 1.00 0.00 C ATOM 295 C LEU A 19 14.041 2.761 8.560 1.00 0.00 C ATOM 296 O LEU A 19 14.157 3.517 7.600 1.00 0.00 O ATOM 297 CB LEU A 19 16.257 1.630 7.873 1.00 0.00 C ATOM 298 CG LEU A 19 17.399 0.685 8.293 1.00 0.00 C ATOM 299 CD1 LEU A 19 18.472 0.688 7.208 1.00 0.00 C ATOM 300 CD2 LEU A 19 18.046 1.102 9.615 1.00 0.00 C ATOM 301 HA LEU A 19 15.490 1.926 9.829 1.00 0.00 H ATOM 302 HB2 LEU A 19 15.884 1.304 6.902 1.00 0.00 H ATOM 303 HB3 LEU A 19 16.663 2.638 7.786 1.00 0.00 H ATOM 304 HG LEU A 19 16.969 -0.308 8.427 1.00 0.00 H ATOM 305 HD21 LEU A 19 18.459 2.106 9.515 1.00 0.00 H ATOM 306 HD22 LEU A 19 17.294 1.094 10.404 1.00 0.00 H ATOM 307 HD23 LEU A 19 18.844 0.403 9.864 1.00 0.00 H ATOM 308 HD11 LEU A 19 18.038 0.346 6.269 1.00 0.00 H ATOM 309 HD12 LEU A 19 18.858 1.700 7.084 1.00 0.00 H ATOM 310 HD13 LEU A 19 19.283 0.021 7.499 1.00 0.00 H ATOM 311 H LEU A 19 14.455 -0.213 8.022 1.00 0.00 H ATOM 312 N TYR A 20 12.992 2.799 9.384 1.00 0.00 N ATOM 313 CA TYR A 20 11.817 3.649 9.176 1.00 0.00 C ATOM 314 C TYR A 20 12.160 5.142 9.068 1.00 0.00 C ATOM 315 O TYR A 20 11.527 5.834 8.278 1.00 0.00 O ATOM 316 CB TYR A 20 10.804 3.442 10.312 1.00 0.00 C ATOM 317 CG TYR A 20 10.263 2.043 10.575 1.00 0.00 C ATOM 318 CD1 TYR A 20 10.266 1.030 9.592 1.00 0.00 C ATOM 319 CD2 TYR A 20 9.671 1.788 11.827 1.00 0.00 C ATOM 320 CE1 TYR A 20 9.652 -0.215 9.852 1.00 0.00 C ATOM 321 CE2 TYR A 20 9.073 0.543 12.095 1.00 0.00 C ATOM 322 CZ TYR A 20 9.052 -0.461 11.105 1.00 0.00 C ATOM 323 OH TYR A 20 8.441 -1.650 11.356 1.00 0.00 O ATOM 324 HA TYR A 20 11.386 3.346 8.221 1.00 0.00 H ATOM 325 HB3 TYR A 20 9.947 4.080 10.096 1.00 0.00 H ATOM 326 HB2 TYR A 20 11.283 3.777 11.232 1.00 0.00 H ATOM 327 HD2 TYR A 20 9.676 2.562 12.595 1.00 0.00 H ATOM 328 HE2 TYR A 20 8.625 0.354 13.070 1.00 0.00 H ATOM 329 HE1 TYR A 20 9.642 -0.987 9.083 1.00 0.00 H ATOM 330 HD1 TYR A 20 10.744 1.209 8.629 1.00 0.00 H ATOM 331 HH TYR A 20 8.519 -2.234 10.561 1.00 0.00 H ATOM 332 H TYR A 20 13.010 2.188 10.225 1.00 0.00 H ATOM 333 N ARG A 21 13.166 5.659 9.788 1.00 0.00 N ATOM 334 CA ARG A 21 13.517 7.094 9.736 1.00 0.00 C ATOM 335 C ARG A 21 14.297 7.444 8.466 1.00 0.00 C ATOM 336 O ARG A 21 14.077 8.519 7.904 1.00 0.00 O ATOM 337 CB ARG A 21 14.249 7.547 11.014 1.00 0.00 C ATOM 338 CG ARG A 21 13.336 7.714 12.250 1.00 0.00 C ATOM 339 CD ARG A 21 12.712 6.428 12.814 1.00 0.00 C ATOM 340 NE ARG A 21 13.733 5.430 13.179 1.00 0.00 N ATOM 341 CZ ARG A 21 13.537 4.181 13.561 1.00 0.00 C ATOM 342 NH1 ARG A 21 12.352 3.665 13.712 1.00 0.00 N ATOM 343 NH2 ARG A 21 14.558 3.410 13.777 1.00 0.00 N ATOM 344 HA ARG A 21 12.583 7.654 9.692 1.00 0.00 H ATOM 345 HB2 ARG A 21 15.011 6.805 11.251 1.00 0.00 H ATOM 346 HB3 ARG A 21 14.727 8.505 10.811 1.00 0.00 H ATOM 347 HG2 ARG A 21 13.929 8.171 13.042 1.00 0.00 H ATOM 348 HG3 ARG A 21 12.522 8.385 11.974 1.00 0.00 H ATOM 349 HD2 ARG A 21 12.053 5.997 12.061 1.00 0.00 H ATOM 350 HD3 ARG A 21 12.132 6.679 13.702 1.00 0.00 H ATOM 351 HE ARG A 21 14.723 5.746 13.130 1.00 0.00 H ATOM 352 HH12 ARG A 21 12.251 2.675 14.015 1.00 0.00 H ATOM 353 HH11 ARG A 21 11.506 4.242 13.530 1.00 0.00 H ATOM 354 HH22 ARG A 21 14.412 2.425 14.078 1.00 0.00 H ATOM 355 HH21 ARG A 21 15.523 3.777 13.649 1.00 0.00 H ATOM 356 H ARG A 21 13.718 5.029 10.404 1.00 0.00 H ATOM 357 N GLU A 22 15.117 6.528 7.945 1.00 0.00 N ATOM 358 CA GLU A 22 15.714 6.664 6.603 1.00 0.00 C ATOM 359 C GLU A 22 14.680 6.434 5.487 1.00 0.00 C ATOM 360 O GLU A 22 14.718 7.093 4.449 1.00 0.00 O ATOM 361 CB GLU A 22 16.914 5.715 6.437 1.00 0.00 C ATOM 362 CG GLU A 22 18.131 6.218 7.227 1.00 0.00 C ATOM 363 CD GLU A 22 19.347 5.287 7.130 1.00 0.00 C ATOM 364 OE1 GLU A 22 19.833 4.838 8.197 1.00 0.00 O ATOM 365 OE2 GLU A 22 19.904 5.084 6.021 1.00 0.00 O ATOM 366 HA GLU A 22 16.069 7.690 6.511 1.00 0.00 H ATOM 367 HB2 GLU A 22 16.638 4.725 6.800 1.00 0.00 H ATOM 368 HB3 GLU A 22 17.176 5.653 5.381 1.00 0.00 H ATOM 369 HG2 GLU A 22 18.413 7.197 6.841 1.00 0.00 H ATOM 370 HG3 GLU A 22 17.849 6.310 8.276 1.00 0.00 H ATOM 371 H GLU A 22 15.344 5.684 8.509 1.00 0.00 H ATOM 372 N ALA A 23 13.698 5.558 5.707 1.00 0.00 N ATOM 373 CA ALA A 23 12.593 5.360 4.774 1.00 0.00 C ATOM 374 C ALA A 23 11.669 6.594 4.690 1.00 0.00 C ATOM 375 O ALA A 23 11.305 7.029 3.595 1.00 0.00 O ATOM 376 CB ALA A 23 11.837 4.101 5.195 1.00 0.00 C ATOM 377 HA ALA A 23 12.987 5.230 3.766 1.00 0.00 H ATOM 378 HB1 ALA A 23 12.513 3.246 5.165 1.00 0.00 H ATOM 379 HB2 ALA A 23 11.456 4.229 6.208 1.00 0.00 H ATOM 380 HB3 ALA A 23 11.005 3.932 4.511 1.00 0.00 H ATOM 381 H ALA A 23 13.721 4.993 6.580 1.00 0.00 H ATOM 382 N VAL A 24 11.374 7.227 5.832 1.00 0.00 N ATOM 383 CA VAL A 24 10.714 8.541 5.912 1.00 0.00 C ATOM 384 C VAL A 24 11.569 9.622 5.249 1.00 0.00 C ATOM 385 O VAL A 24 11.028 10.421 4.492 1.00 0.00 O ATOM 386 CB VAL A 24 10.359 8.895 7.372 1.00 0.00 C ATOM 387 CG1 VAL A 24 9.952 10.360 7.557 1.00 0.00 C ATOM 388 CG2 VAL A 24 9.184 8.034 7.862 1.00 0.00 C ATOM 389 HA VAL A 24 9.776 8.488 5.359 1.00 0.00 H ATOM 390 HB VAL A 24 11.266 8.706 7.946 1.00 0.00 H ATOM 391 HG11 VAL A 24 10.776 11.006 7.252 1.00 0.00 H ATOM 392 HG12 VAL A 24 9.076 10.573 6.944 1.00 0.00 H ATOM 393 HG13 VAL A 24 9.716 10.541 8.606 1.00 0.00 H ATOM 394 HG21 VAL A 24 8.314 8.215 7.231 1.00 0.00 H ATOM 395 HG22 VAL A 24 9.460 6.981 7.809 1.00 0.00 H ATOM 396 HG23 VAL A 24 8.948 8.297 8.893 1.00 0.00 H ATOM 397 H VAL A 24 11.629 6.758 6.725 1.00 0.00 H ATOM 398 N HIS A 25 12.900 9.601 5.416 1.00 0.00 N ATOM 399 CA HIS A 25 13.805 10.530 4.721 1.00 0.00 C ATOM 400 C HIS A 25 13.657 10.457 3.190 1.00 0.00 C ATOM 401 O HIS A 25 13.757 11.486 2.519 1.00 0.00 O ATOM 402 CB HIS A 25 15.259 10.287 5.165 1.00 0.00 C ATOM 403 CG HIS A 25 16.216 11.392 4.794 1.00 0.00 C ATOM 404 ND1 HIS A 25 16.976 11.480 3.649 1.00 0.00 N ATOM 405 CD2 HIS A 25 16.544 12.467 5.574 1.00 0.00 C ATOM 406 CE1 HIS A 25 17.721 12.595 3.730 1.00 0.00 C ATOM 407 NE2 HIS A 25 17.494 13.237 4.889 1.00 0.00 N ATOM 408 HA HIS A 25 13.522 11.544 5.004 1.00 0.00 H ATOM 409 HB2 HIS A 25 15.271 10.175 6.249 1.00 0.00 H ATOM 410 HB3 HIS A 25 15.608 9.364 4.702 1.00 0.00 H ATOM 411 HD2 HIS A 25 16.136 12.687 6.560 1.00 0.00 H ATOM 412 HE1 HIS A 25 18.415 12.933 2.961 1.00 0.00 H ATOM 413 H HIS A 25 13.309 8.898 6.064 1.00 0.00 H ATOM 414 N CYS A 26 13.340 9.279 2.637 1.00 0.00 N ATOM 415 CA CYS A 26 13.080 9.104 1.206 1.00 0.00 C ATOM 416 C CYS A 26 11.745 9.717 0.751 1.00 0.00 C ATOM 417 O CYS A 26 11.721 10.338 -0.311 1.00 0.00 O ATOM 418 CB CYS A 26 13.158 7.615 0.837 1.00 0.00 C ATOM 419 SG CYS A 26 14.795 6.934 1.230 1.00 0.00 S ATOM 420 HA CYS A 26 13.856 9.652 0.671 1.00 0.00 H ATOM 421 HB2 CYS A 26 12.971 7.501 -0.231 1.00 0.00 H ATOM 422 HB3 CYS A 26 12.400 7.068 1.397 1.00 0.00 H ATOM 423 HG CYS A 26 15.035 7.070 2.582 1.00 0.00 H ATOM 424 H CYS A 26 13.275 8.445 3.256 1.00 0.00 H ATOM 425 N TYR A 27 10.653 9.614 1.526 1.00 0.00 N ATOM 426 CA TYR A 27 9.416 10.343 1.176 1.00 0.00 C ATOM 427 C TYR A 27 9.589 11.858 1.383 1.00 0.00 C ATOM 428 O TYR A 27 9.149 12.656 0.553 1.00 0.00 O ATOM 429 CB TYR A 27 8.151 9.743 1.842 1.00 0.00 C ATOM 430 CG TYR A 27 7.604 10.397 3.108 1.00 0.00 C ATOM 431 CD1 TYR A 27 7.116 11.719 3.073 1.00 0.00 C ATOM 432 CD2 TYR A 27 7.485 9.656 4.302 1.00 0.00 C ATOM 433 CE1 TYR A 27 6.623 12.328 4.239 1.00 0.00 C ATOM 434 CE2 TYR A 27 6.927 10.246 5.457 1.00 0.00 C ATOM 435 CZ TYR A 27 6.531 11.599 5.435 1.00 0.00 C ATOM 436 OH TYR A 27 6.016 12.209 6.532 1.00 0.00 O ATOM 437 HA TYR A 27 9.238 10.204 0.110 1.00 0.00 H ATOM 438 HB3 TYR A 27 8.381 8.707 2.090 1.00 0.00 H ATOM 439 HB2 TYR A 27 7.355 9.769 1.098 1.00 0.00 H ATOM 440 HD2 TYR A 27 7.826 8.621 4.333 1.00 0.00 H ATOM 441 HE2 TYR A 27 6.802 9.656 6.365 1.00 0.00 H ATOM 442 HE1 TYR A 27 6.310 13.372 4.215 1.00 0.00 H ATOM 443 HD1 TYR A 27 7.121 12.273 2.134 1.00 0.00 H ATOM 444 HH TYR A 27 5.802 13.151 6.314 1.00 0.00 H ATOM 445 H TYR A 27 10.678 9.018 2.378 1.00 0.00 H ATOM 446 N ASP A 28 10.290 12.259 2.447 1.00 0.00 N ATOM 447 CA ASP A 28 10.600 13.652 2.775 1.00 0.00 C ATOM 448 C ASP A 28 11.436 14.326 1.676 1.00 0.00 C ATOM 449 O ASP A 28 11.215 15.502 1.398 1.00 0.00 O ATOM 450 CB ASP A 28 11.304 13.682 4.144 1.00 0.00 C ATOM 451 CG ASP A 28 11.671 15.080 4.654 1.00 0.00 C ATOM 452 OD1 ASP A 28 12.766 15.211 5.260 1.00 0.00 O ATOM 453 OD2 ASP A 28 10.868 16.034 4.498 1.00 0.00 O ATOM 454 HA ASP A 28 9.677 14.229 2.834 1.00 0.00 H ATOM 455 HB2 ASP A 28 10.642 13.218 4.875 1.00 0.00 H ATOM 456 HB3 ASP A 28 12.222 13.099 4.065 1.00 0.00 H ATOM 457 H ASP A 28 10.643 11.524 3.093 1.00 0.00 H ATOM 458 N GLN A 29 12.308 13.597 0.964 1.00 0.00 N ATOM 459 CA GLN A 29 12.995 14.135 -0.220 1.00 0.00 C ATOM 460 C GLN A 29 12.011 14.542 -1.321 1.00 0.00 C ATOM 461 O GLN A 29 12.176 15.602 -1.930 1.00 0.00 O ATOM 462 CB GLN A 29 14.007 13.133 -0.810 1.00 0.00 C ATOM 463 CG GLN A 29 15.306 12.876 -0.022 1.00 0.00 C ATOM 464 CD GLN A 29 15.682 14.014 0.919 1.00 0.00 C ATOM 465 OE1 GLN A 29 16.284 15.010 0.537 1.00 0.00 O ATOM 466 NE2 GLN A 29 15.277 13.926 2.160 1.00 0.00 N ATOM 467 HA GLN A 29 13.529 15.019 0.129 1.00 0.00 H ATOM 468 HB2 GLN A 29 13.495 12.176 -0.914 1.00 0.00 H ATOM 469 HB3 GLN A 29 14.292 13.500 -1.796 1.00 0.00 H ATOM 470 HG2 GLN A 29 15.178 11.968 0.568 1.00 0.00 H ATOM 471 HG3 GLN A 29 16.119 12.734 -0.734 1.00 0.00 H ATOM 472 HE22 GLN A 29 14.766 13.079 2.481 1.00 0.00 H ATOM 473 HE21 GLN A 29 15.466 14.703 2.825 1.00 0.00 H ATOM 474 H GLN A 29 12.505 12.619 1.259 1.00 0.00 H ATOM 475 N LEU A 30 10.956 13.752 -1.548 1.00 0.00 N ATOM 476 CA LEU A 30 9.993 14.038 -2.616 1.00 0.00 C ATOM 477 C LEU A 30 9.221 15.332 -2.321 1.00 0.00 C ATOM 478 O LEU A 30 9.078 16.158 -3.219 1.00 0.00 O ATOM 479 CB LEU A 30 9.020 12.867 -2.851 1.00 0.00 C ATOM 480 CG LEU A 30 9.635 11.458 -2.909 1.00 0.00 C ATOM 481 CD1 LEU A 30 8.569 10.471 -3.375 1.00 0.00 C ATOM 482 CD2 LEU A 30 10.836 11.324 -3.844 1.00 0.00 C ATOM 483 HA LEU A 30 10.564 14.172 -3.535 1.00 0.00 H ATOM 484 HB2 LEU A 30 8.290 12.876 -2.041 1.00 0.00 H ATOM 485 HB3 LEU A 30 8.512 13.045 -3.799 1.00 0.00 H ATOM 486 HG LEU A 30 9.993 11.250 -1.901 1.00 0.00 H ATOM 487 HD21 LEU A 30 10.534 11.579 -4.860 1.00 0.00 H ATOM 488 HD22 LEU A 30 11.626 12.000 -3.518 1.00 0.00 H ATOM 489 HD23 LEU A 30 11.201 10.297 -3.819 1.00 0.00 H ATOM 490 HD11 LEU A 30 7.735 10.481 -2.673 1.00 0.00 H ATOM 491 HD12 LEU A 30 8.216 10.760 -4.365 1.00 0.00 H ATOM 492 HD13 LEU A 30 8.997 9.470 -3.419 1.00 0.00 H ATOM 493 H LEU A 30 10.815 12.912 -0.951 1.00 0.00 H ATOM 494 N ILE A 31 8.790 15.533 -1.069 1.00 0.00 N ATOM 495 CA ILE A 31 8.104 16.762 -0.615 1.00 0.00 C ATOM 496 C ILE A 31 9.107 17.925 -0.426 1.00 0.00 C ATOM 497 O ILE A 31 8.736 19.093 -0.512 1.00 0.00 O ATOM 498 CB ILE A 31 7.259 16.504 0.667 1.00 0.00 C ATOM 499 CG1 ILE A 31 6.433 15.191 0.613 1.00 0.00 C ATOM 500 CG2 ILE A 31 6.291 17.680 0.913 1.00 0.00 C ATOM 501 CD1 ILE A 31 5.647 14.887 1.893 1.00 0.00 C ATOM 502 HA ILE A 31 7.407 17.062 -1.397 1.00 0.00 H ATOM 503 HB ILE A 31 7.978 16.408 1.481 1.00 0.00 H ATOM 504 HG12 ILE A 31 5.725 15.266 -0.213 1.00 0.00 H ATOM 505 HG13 ILE A 31 7.118 14.364 0.428 1.00 0.00 H ATOM 506 HD11 ILE A 31 6.339 14.795 2.730 1.00 0.00 H ATOM 507 HD12 ILE A 31 4.945 15.698 2.088 1.00 0.00 H ATOM 508 HD13 ILE A 31 5.099 13.953 1.768 1.00 0.00 H ATOM 509 HG21 ILE A 31 6.863 18.599 1.041 1.00 0.00 H ATOM 510 HG22 ILE A 31 5.622 17.783 0.059 1.00 0.00 H ATOM 511 HG23 ILE A 31 5.707 17.486 1.812 1.00 0.00 H ATOM 512 H ILE A 31 8.948 14.777 -0.372 1.00 0.00 H ATOM 513 N THR A 32 10.398 17.650 -0.225 1.00 0.00 N ATOM 514 CA THR A 32 11.456 18.681 -0.191 1.00 0.00 C ATOM 515 C THR A 32 11.660 19.312 -1.572 1.00 0.00 C ATOM 516 O THR A 32 11.774 20.536 -1.665 1.00 0.00 O ATOM 517 CB THR A 32 12.776 18.106 0.355 1.00 0.00 C ATOM 518 OG1 THR A 32 12.594 17.717 1.696 1.00 0.00 O ATOM 519 CG2 THR A 32 13.933 19.098 0.353 1.00 0.00 C ATOM 520 HA THR A 32 11.129 19.468 0.489 1.00 0.00 H ATOM 521 HB THR A 32 13.028 17.277 -0.306 1.00 0.00 H ATOM 522 HG1 THR A 32 11.886 17.027 1.745 1.00 0.00 H ATOM 523 HG23 THR A 32 14.119 19.435 -0.667 1.00 0.00 H ATOM 524 HG21 THR A 32 13.678 19.953 0.979 1.00 0.00 H ATOM 525 HG22 THR A 32 14.827 18.613 0.746 1.00 0.00 H ATOM 526 H THR A 32 10.674 16.657 -0.085 1.00 0.00 H ATOM 527 N ALA A 33 11.655 18.506 -2.642 1.00 0.00 N ATOM 528 CA ALA A 33 11.817 18.963 -4.027 1.00 0.00 C ATOM 529 C ALA A 33 10.498 19.381 -4.721 1.00 0.00 C ATOM 530 O ALA A 33 10.532 20.098 -5.727 1.00 0.00 O ATOM 531 CB ALA A 33 12.521 17.839 -4.801 1.00 0.00 C ATOM 532 HA ALA A 33 12.412 19.876 -4.017 1.00 0.00 H ATOM 533 HB1 ALA A 33 13.492 17.640 -4.348 1.00 0.00 H ATOM 534 HB2 ALA A 33 11.910 16.937 -4.765 1.00 0.00 H ATOM 535 HB3 ALA A 33 12.659 18.145 -5.838 1.00 0.00 H ATOM 536 H ALA A 33 11.528 17.487 -2.480 1.00 0.00 H ATOM 537 N GLN A 34 9.346 18.914 -4.221 1.00 0.00 N ATOM 538 CA GLN A 34 8.015 19.077 -4.833 1.00 0.00 C ATOM 539 C GLN A 34 6.946 19.399 -3.752 1.00 0.00 C ATOM 540 O GLN A 34 6.063 18.573 -3.498 1.00 0.00 O ATOM 541 CB GLN A 34 7.671 17.800 -5.637 1.00 0.00 C ATOM 542 CG GLN A 34 8.748 17.309 -6.620 1.00 0.00 C ATOM 543 CD GLN A 34 8.479 15.879 -7.060 1.00 0.00 C ATOM 544 OE1 GLN A 34 8.074 15.601 -8.180 1.00 0.00 O ATOM 545 NE2 GLN A 34 8.712 14.918 -6.196 1.00 0.00 N ATOM 546 HA GLN A 34 8.023 19.923 -5.520 1.00 0.00 H ATOM 547 HB2 GLN A 34 7.480 16.998 -4.924 1.00 0.00 H ATOM 548 HB3 GLN A 34 6.764 18.000 -6.208 1.00 0.00 H ATOM 549 HG2 GLN A 34 8.751 17.957 -7.497 1.00 0.00 H ATOM 550 HG3 GLN A 34 9.722 17.354 -6.133 1.00 0.00 H ATOM 551 HE22 GLN A 34 9.056 15.149 -5.242 1.00 0.00 H ATOM 552 HE21 GLN A 34 8.552 13.926 -6.466 1.00 0.00 H ATOM 553 H GLN A 34 9.395 18.391 -3.323 1.00 0.00 H ATOM 554 N PRO A 35 7.018 20.562 -3.063 1.00 0.00 N ATOM 555 CA PRO A 35 6.280 20.816 -1.815 1.00 0.00 C ATOM 556 C PRO A 35 4.753 20.783 -1.885 1.00 0.00 C ATOM 557 O PRO A 35 4.104 20.599 -0.853 1.00 0.00 O ATOM 558 CB PRO A 35 6.711 22.214 -1.366 1.00 0.00 C ATOM 559 CG PRO A 35 8.111 22.359 -1.951 1.00 0.00 C ATOM 560 CD PRO A 35 7.949 21.664 -3.300 1.00 0.00 C ATOM 561 HA PRO A 35 6.525 20.000 -1.135 1.00 0.00 H ATOM 562 HD3 PRO A 35 7.542 22.355 -4.038 1.00 0.00 H ATOM 563 HD2 PRO A 35 8.908 21.284 -3.651 1.00 0.00 H ATOM 564 HG3 PRO A 35 8.856 21.859 -1.332 1.00 0.00 H ATOM 565 HG2 PRO A 35 8.386 23.407 -2.073 1.00 0.00 H ATOM 566 HB2 PRO A 35 6.041 22.976 -1.765 1.00 0.00 H ATOM 567 HB3 PRO A 35 6.733 22.285 -0.279 1.00 0.00 H ATOM 568 N GLN A 36 4.190 20.998 -3.075 1.00 0.00 N ATOM 569 CA GLN A 36 2.758 21.192 -3.314 1.00 0.00 C ATOM 570 C GLN A 36 2.213 20.159 -4.333 1.00 0.00 C ATOM 571 O GLN A 36 1.094 20.298 -4.829 1.00 0.00 O ATOM 572 CB GLN A 36 2.565 22.666 -3.738 1.00 0.00 C ATOM 573 CG GLN A 36 1.136 23.243 -3.683 1.00 0.00 C ATOM 574 CD GLN A 36 0.516 23.293 -2.290 1.00 0.00 C ATOM 575 OE1 GLN A 36 -0.461 22.616 -1.994 1.00 0.00 O ATOM 576 NE2 GLN A 36 1.022 24.106 -1.389 1.00 0.00 N ATOM 577 HA GLN A 36 2.171 21.011 -2.414 1.00 0.00 H ATOM 578 HB2 GLN A 36 3.189 23.278 -3.087 1.00 0.00 H ATOM 579 HB3 GLN A 36 2.915 22.758 -4.766 1.00 0.00 H ATOM 580 HG2 GLN A 36 1.165 24.259 -4.077 1.00 0.00 H ATOM 581 HG3 GLN A 36 0.497 22.627 -4.316 1.00 0.00 H ATOM 582 HE22 GLN A 36 1.851 24.689 -1.622 1.00 0.00 H ATOM 583 HE21 GLN A 36 0.593 24.166 -0.444 1.00 0.00 H ATOM 584 H GLN A 36 4.820 21.031 -3.902 1.00 0.00 H ATOM 585 N ASN A 37 2.993 19.128 -4.688 1.00 0.00 N ATOM 586 CA ASN A 37 2.573 18.057 -5.602 1.00 0.00 C ATOM 587 C ASN A 37 1.932 16.882 -4.832 1.00 0.00 C ATOM 588 O ASN A 37 2.568 16.332 -3.926 1.00 0.00 O ATOM 589 CB ASN A 37 3.775 17.545 -6.416 1.00 0.00 C ATOM 590 CG ASN A 37 3.967 18.235 -7.750 1.00 0.00 C ATOM 591 OD1 ASN A 37 4.724 19.188 -7.889 1.00 0.00 O ATOM 592 ND2 ASN A 37 3.305 17.755 -8.776 1.00 0.00 N ATOM 593 HA ASN A 37 1.828 18.474 -6.279 1.00 0.00 H ATOM 594 HB2 ASN A 37 4.677 17.693 -5.822 1.00 0.00 H ATOM 595 HB3 ASN A 37 3.634 16.480 -6.600 1.00 0.00 H ATOM 596 HD22 ASN A 37 2.664 16.946 -8.649 1.00 0.00 H ATOM 597 HD21 ASN A 37 3.421 18.184 -9.716 1.00 0.00 H ATOM 598 H ASN A 37 3.954 19.084 -4.292 1.00 0.00 H ATOM 599 N PRO A 38 0.756 16.374 -5.256 1.00 0.00 N ATOM 600 CA PRO A 38 0.110 15.227 -4.610 1.00 0.00 C ATOM 601 C PRO A 38 0.916 13.923 -4.698 1.00 0.00 C ATOM 602 O PRO A 38 0.693 13.018 -3.896 1.00 0.00 O ATOM 603 CB PRO A 38 -1.251 15.095 -5.291 1.00 0.00 C ATOM 604 CG PRO A 38 -1.010 15.687 -6.679 1.00 0.00 C ATOM 605 CD PRO A 38 -0.042 16.829 -6.386 1.00 0.00 C ATOM 606 HA PRO A 38 0.025 15.401 -3.537 1.00 0.00 H ATOM 607 HD3 PRO A 38 0.594 17.022 -7.250 1.00 0.00 H ATOM 608 HD2 PRO A 38 -0.588 17.736 -6.128 1.00 0.00 H ATOM 609 HG3 PRO A 38 -1.937 16.058 -7.116 1.00 0.00 H ATOM 610 HG2 PRO A 38 -0.563 14.953 -7.349 1.00 0.00 H ATOM 611 HB2 PRO A 38 -1.554 14.050 -5.359 1.00 0.00 H ATOM 612 HB3 PRO A 38 -2.013 15.659 -4.753 1.00 0.00 H ATOM 613 N VAL A 39 1.898 13.825 -5.606 1.00 0.00 N ATOM 614 CA VAL A 39 2.868 12.715 -5.640 1.00 0.00 C ATOM 615 C VAL A 39 3.567 12.525 -4.291 1.00 0.00 C ATOM 616 O VAL A 39 3.678 11.399 -3.808 1.00 0.00 O ATOM 617 CB VAL A 39 3.882 12.916 -6.786 1.00 0.00 C ATOM 618 CG1 VAL A 39 5.079 13.825 -6.465 1.00 0.00 C ATOM 619 CG2 VAL A 39 4.434 11.557 -7.210 1.00 0.00 C ATOM 620 HA VAL A 39 2.316 11.796 -5.836 1.00 0.00 H ATOM 621 HB VAL A 39 3.318 13.417 -7.573 1.00 0.00 H ATOM 622 HG11 VAL A 39 4.718 14.818 -6.198 1.00 0.00 H ATOM 623 HG12 VAL A 39 5.640 13.404 -5.630 1.00 0.00 H ATOM 624 HG13 VAL A 39 5.725 13.895 -7.340 1.00 0.00 H ATOM 625 HG21 VAL A 39 4.929 11.086 -6.361 1.00 0.00 H ATOM 626 HG22 VAL A 39 3.615 10.924 -7.552 1.00 0.00 H ATOM 627 HG23 VAL A 39 5.151 11.694 -8.020 1.00 0.00 H ATOM 628 H VAL A 39 1.980 14.572 -6.325 1.00 0.00 H ATOM 629 N GLY A 40 3.977 13.607 -3.624 1.00 0.00 N ATOM 630 CA GLY A 40 4.669 13.515 -2.342 1.00 0.00 C ATOM 631 C GLY A 40 3.738 13.011 -1.232 1.00 0.00 C ATOM 632 O GLY A 40 4.125 12.151 -0.444 1.00 0.00 O ATOM 633 HA3 GLY A 40 5.042 14.502 -2.070 1.00 0.00 H ATOM 634 HA2 GLY A 40 5.507 12.825 -2.441 1.00 0.00 H ATOM 635 H GLY A 40 3.797 14.547 -4.032 1.00 0.00 H ATOM 636 N TYR A 41 2.472 13.437 -1.248 1.00 0.00 N ATOM 637 CA TYR A 41 1.445 12.962 -0.315 1.00 0.00 C ATOM 638 C TYR A 41 1.041 11.499 -0.573 1.00 0.00 C ATOM 639 O TYR A 41 0.851 10.745 0.376 1.00 0.00 O ATOM 640 CB TYR A 41 0.233 13.909 -0.360 1.00 0.00 C ATOM 641 CG TYR A 41 0.531 15.391 -0.157 1.00 0.00 C ATOM 642 CD1 TYR A 41 1.577 15.813 0.694 1.00 0.00 C ATOM 643 CD2 TYR A 41 -0.253 16.360 -0.816 1.00 0.00 C ATOM 644 CE1 TYR A 41 1.850 17.183 0.866 1.00 0.00 C ATOM 645 CE2 TYR A 41 0.001 17.733 -0.623 1.00 0.00 C ATOM 646 CZ TYR A 41 1.052 18.148 0.221 1.00 0.00 C ATOM 647 OH TYR A 41 1.266 19.473 0.445 1.00 0.00 O ATOM 648 HA TYR A 41 1.867 12.975 0.690 1.00 0.00 H ATOM 649 HB3 TYR A 41 -0.461 13.599 0.421 1.00 0.00 H ATOM 650 HB2 TYR A 41 -0.243 13.795 -1.334 1.00 0.00 H ATOM 651 HD2 TYR A 41 -1.060 16.046 -1.478 1.00 0.00 H ATOM 652 HE2 TYR A 41 -0.617 18.476 -1.127 1.00 0.00 H ATOM 653 HE1 TYR A 41 2.680 17.498 1.499 1.00 0.00 H ATOM 654 HD1 TYR A 41 2.177 15.072 1.221 1.00 0.00 H ATOM 655 HH TYR A 41 2.037 19.583 1.056 1.00 0.00 H ATOM 656 H TYR A 41 2.200 14.144 -1.961 1.00 0.00 H ATOM 657 N SER A 42 1.009 11.046 -1.833 1.00 0.00 N ATOM 658 CA SER A 42 0.827 9.626 -2.188 1.00 0.00 C ATOM 659 C SER A 42 1.951 8.735 -1.639 1.00 0.00 C ATOM 660 O SER A 42 1.695 7.622 -1.171 1.00 0.00 O ATOM 661 CB SER A 42 0.743 9.485 -3.711 1.00 0.00 C ATOM 662 OG SER A 42 0.650 8.125 -4.076 1.00 0.00 O ATOM 663 HA SER A 42 -0.102 9.289 -1.728 1.00 0.00 H ATOM 664 HB2 SER A 42 1.636 9.918 -4.162 1.00 0.00 H ATOM 665 HB3 SER A 42 -0.138 10.015 -4.073 1.00 0.00 H ATOM 666 HG SER A 42 1.451 7.642 -3.751 1.00 0.00 H ATOM 667 H SER A 42 1.119 11.734 -2.605 1.00 0.00 H ATOM 668 N ASN A 43 3.190 9.241 -1.627 1.00 0.00 N ATOM 669 CA ASN A 43 4.343 8.543 -1.054 1.00 0.00 C ATOM 670 C ASN A 43 4.380 8.626 0.489 1.00 0.00 C ATOM 671 O ASN A 43 4.828 7.671 1.122 1.00 0.00 O ATOM 672 CB ASN A 43 5.633 9.038 -1.728 1.00 0.00 C ATOM 673 CG ASN A 43 5.794 8.490 -3.141 1.00 0.00 C ATOM 674 OD1 ASN A 43 6.408 7.462 -3.366 1.00 0.00 O ATOM 675 ND2 ASN A 43 5.255 9.158 -4.132 1.00 0.00 N ATOM 676 HA ASN A 43 4.248 7.478 -1.265 1.00 0.00 H ATOM 677 HB2 ASN A 43 5.609 10.127 -1.775 1.00 0.00 H ATOM 678 HB3 ASN A 43 6.486 8.720 -1.129 1.00 0.00 H ATOM 679 HD22 ASN A 43 4.730 10.036 -3.943 1.00 0.00 H ATOM 680 HD21 ASN A 43 5.352 8.810 -5.107 1.00 0.00 H ATOM 681 H ASN A 43 3.342 10.180 -2.047 1.00 0.00 H ATOM 682 N LYS A 44 3.832 9.681 1.116 1.00 0.00 N ATOM 683 CA LYS A 44 3.572 9.695 2.570 1.00 0.00 C ATOM 684 C LYS A 44 2.460 8.706 2.957 1.00 0.00 C ATOM 685 O LYS A 44 2.635 7.944 3.903 1.00 0.00 O ATOM 686 CB LYS A 44 3.319 11.130 3.077 1.00 0.00 C ATOM 687 CG LYS A 44 3.091 11.133 4.603 1.00 0.00 C ATOM 688 CD LYS A 44 2.990 12.534 5.225 1.00 0.00 C ATOM 689 CE LYS A 44 2.767 12.385 6.738 1.00 0.00 C ATOM 690 NZ LYS A 44 2.670 13.691 7.428 1.00 0.00 N ATOM 691 HA LYS A 44 4.469 9.345 3.080 1.00 0.00 H ATOM 692 HB2 LYS A 44 4.183 11.751 2.842 1.00 0.00 H ATOM 693 HB3 LYS A 44 2.437 11.535 2.582 1.00 0.00 H ATOM 694 HG2 LYS A 44 2.164 10.599 4.811 1.00 0.00 H ATOM 695 HG3 LYS A 44 3.923 10.610 5.074 1.00 0.00 H ATOM 696 HD2 LYS A 44 3.913 13.084 5.042 1.00 0.00 H ATOM 697 HD3 LYS A 44 2.153 13.073 4.782 1.00 0.00 H ATOM 698 HE2 LYS A 44 3.602 11.827 7.161 1.00 0.00 H ATOM 699 HE3 LYS A 44 1.842 11.833 6.903 1.00 0.00 H ATOM 700 HZ1 LYS A 44 3.552 14.224 7.285 1.00 0.00 H ATOM 701 HZ2 LYS A 44 1.871 14.230 7.037 1.00 0.00 H ATOM 702 HZ3 LYS A 44 2.520 13.534 8.445 1.00 0.00 H ATOM 703 H LYS A 44 3.581 10.520 0.555 1.00 0.00 H ATOM 704 N ALA A 45 1.371 8.615 2.190 1.00 0.00 N ATOM 705 CA ALA A 45 0.325 7.604 2.394 1.00 0.00 C ATOM 706 C ALA A 45 0.862 6.163 2.246 1.00 0.00 C ATOM 707 O ALA A 45 0.484 5.283 3.018 1.00 0.00 O ATOM 708 CB ALA A 45 -0.832 7.893 1.430 1.00 0.00 C ATOM 709 HA ALA A 45 -0.038 7.671 3.420 1.00 0.00 H ATOM 710 HB1 ALA A 45 -1.232 8.887 1.632 1.00 0.00 H ATOM 711 HB2 ALA A 45 -0.468 7.848 0.404 1.00 0.00 H ATOM 712 HB3 ALA A 45 -1.616 7.149 1.572 1.00 0.00 H ATOM 713 H ALA A 45 1.258 9.293 1.410 1.00 0.00 H ATOM 714 N MET A 46 1.791 5.935 1.310 1.00 0.00 N ATOM 715 CA MET A 46 2.557 4.686 1.191 1.00 0.00 C ATOM 716 C MET A 46 3.403 4.423 2.448 1.00 0.00 C ATOM 717 O MET A 46 3.315 3.339 3.027 1.00 0.00 O ATOM 718 CB MET A 46 3.415 4.760 -0.081 1.00 0.00 C ATOM 719 CG MET A 46 4.166 3.483 -0.459 1.00 0.00 C ATOM 720 SD MET A 46 5.554 2.991 0.615 1.00 0.00 S ATOM 721 CE MET A 46 6.692 4.387 0.395 1.00 0.00 C ATOM 722 HA MET A 46 1.874 3.841 1.109 1.00 0.00 H ATOM 723 HB2 MET A 46 2.759 5.019 -0.912 1.00 0.00 H ATOM 724 HB3 MET A 46 4.152 5.551 0.059 1.00 0.00 H ATOM 725 HG2 MET A 46 4.561 3.619 -1.466 1.00 0.00 H ATOM 726 HG3 MET A 46 3.445 2.665 -0.460 1.00 0.00 H ATOM 727 HE1 MET A 46 6.967 4.468 -0.657 1.00 0.00 H ATOM 728 HE2 MET A 46 6.203 5.307 0.715 1.00 0.00 H ATOM 729 HE3 MET A 46 7.587 4.222 0.994 1.00 0.00 H ATOM 730 H MET A 46 1.984 6.691 0.622 1.00 0.00 H ATOM 731 N ALA A 47 4.168 5.413 2.915 1.00 0.00 N ATOM 732 CA ALA A 47 4.981 5.296 4.126 1.00 0.00 C ATOM 733 C ALA A 47 4.134 4.952 5.365 1.00 0.00 C ATOM 734 O ALA A 47 4.518 4.086 6.144 1.00 0.00 O ATOM 735 CB ALA A 47 5.768 6.600 4.312 1.00 0.00 C ATOM 736 HA ALA A 47 5.678 4.466 4.010 1.00 0.00 H ATOM 737 HB1 ALA A 47 6.410 6.762 3.446 1.00 0.00 H ATOM 738 HB2 ALA A 47 5.071 7.433 4.410 1.00 0.00 H ATOM 739 HB3 ALA A 47 6.380 6.529 5.211 1.00 0.00 H ATOM 740 H ALA A 47 4.187 6.312 2.392 1.00 0.00 H ATOM 741 N LEU A 48 2.945 5.551 5.513 1.00 0.00 N ATOM 742 CA LEU A 48 2.025 5.280 6.623 1.00 0.00 C ATOM 743 C LEU A 48 1.542 3.817 6.648 1.00 0.00 C ATOM 744 O LEU A 48 1.572 3.194 7.710 1.00 0.00 O ATOM 745 CB LEU A 48 0.855 6.283 6.559 1.00 0.00 C ATOM 746 CG LEU A 48 1.253 7.723 6.947 1.00 0.00 C ATOM 747 CD1 LEU A 48 0.182 8.707 6.475 1.00 0.00 C ATOM 748 CD2 LEU A 48 1.440 7.876 8.458 1.00 0.00 C ATOM 749 HA LEU A 48 2.560 5.418 7.563 1.00 0.00 H ATOM 750 HB2 LEU A 48 0.467 6.295 5.541 1.00 0.00 H ATOM 751 HB3 LEU A 48 0.074 5.946 7.240 1.00 0.00 H ATOM 752 HG LEU A 48 2.204 7.939 6.461 1.00 0.00 H ATOM 753 HD21 LEU A 48 0.507 7.631 8.965 1.00 0.00 H ATOM 754 HD22 LEU A 48 2.227 7.201 8.796 1.00 0.00 H ATOM 755 HD23 LEU A 48 1.719 8.905 8.686 1.00 0.00 H ATOM 756 HD11 LEU A 48 0.082 8.641 5.392 1.00 0.00 H ATOM 757 HD12 LEU A 48 -0.770 8.459 6.944 1.00 0.00 H ATOM 758 HD13 LEU A 48 0.473 9.720 6.754 1.00 0.00 H ATOM 759 H LEU A 48 2.657 6.250 4.799 1.00 0.00 H ATOM 760 N ILE A 49 1.189 3.217 5.501 1.00 0.00 N ATOM 761 CA ILE A 49 0.831 1.779 5.441 1.00 0.00 C ATOM 762 C ILE A 49 2.047 0.847 5.585 1.00 0.00 C ATOM 763 O ILE A 49 1.898 -0.312 5.979 1.00 0.00 O ATOM 764 CB ILE A 49 -0.015 1.420 4.197 1.00 0.00 C ATOM 765 CG1 ILE A 49 0.732 1.570 2.854 1.00 0.00 C ATOM 766 CG2 ILE A 49 -1.289 2.273 4.194 1.00 0.00 C ATOM 767 CD1 ILE A 49 -0.027 1.001 1.647 1.00 0.00 C ATOM 768 HA ILE A 49 0.200 1.607 6.313 1.00 0.00 H ATOM 769 HB ILE A 49 -0.254 0.360 4.278 1.00 0.00 H ATOM 770 HG12 ILE A 49 0.910 2.631 2.678 1.00 0.00 H ATOM 771 HG13 ILE A 49 1.687 1.051 2.934 1.00 0.00 H ATOM 772 HD11 ILE A 49 -0.203 -0.064 1.799 1.00 0.00 H ATOM 773 HD12 ILE A 49 -0.981 1.517 1.543 1.00 0.00 H ATOM 774 HD13 ILE A 49 0.567 1.147 0.744 1.00 0.00 H ATOM 775 HG21 ILE A 49 -1.862 2.071 5.099 1.00 0.00 H ATOM 776 HG22 ILE A 49 -1.018 3.328 4.162 1.00 0.00 H ATOM 777 HG23 ILE A 49 -1.889 2.024 3.319 1.00 0.00 H ATOM 778 H ILE A 49 1.166 3.778 4.626 1.00 0.00 H ATOM 779 N LYS A 50 3.257 1.353 5.321 1.00 0.00 N ATOM 780 CA LYS A 50 4.526 0.650 5.559 1.00 0.00 C ATOM 781 C LYS A 50 5.091 0.837 6.981 1.00 0.00 C ATOM 782 O LYS A 50 5.993 0.095 7.362 1.00 0.00 O ATOM 783 CB LYS A 50 5.531 1.003 4.440 1.00 0.00 C ATOM 784 CG LYS A 50 6.009 -0.234 3.658 1.00 0.00 C ATOM 785 CD LYS A 50 4.945 -0.911 2.774 1.00 0.00 C ATOM 786 CE LYS A 50 4.479 0.012 1.644 1.00 0.00 C ATOM 787 NZ LYS A 50 3.578 -0.683 0.699 1.00 0.00 N ATOM 788 HA LYS A 50 4.327 -0.421 5.512 1.00 0.00 H ATOM 789 HB2 LYS A 50 5.051 1.691 3.744 1.00 0.00 H ATOM 790 HB3 LYS A 50 6.398 1.488 4.890 1.00 0.00 H ATOM 791 HG2 LYS A 50 6.834 0.073 3.015 1.00 0.00 H ATOM 792 HG3 LYS A 50 6.365 -0.970 4.379 1.00 0.00 H ATOM 793 HD2 LYS A 50 5.370 -1.816 2.339 1.00 0.00 H ATOM 794 HD3 LYS A 50 4.087 -1.175 3.392 1.00 0.00 H ATOM 795 HE2 LYS A 50 5.352 0.371 1.099 1.00 0.00 H ATOM 796 HE3 LYS A 50 3.949 0.860 2.077 1.00 0.00 H ATOM 797 HZ1 LYS A 50 4.078 -1.490 0.275 1.00 0.00 H ATOM 798 HZ2 LYS A 50 2.738 -1.023 1.209 1.00 0.00 H ATOM 799 HZ3 LYS A 50 3.286 -0.022 -0.050 1.00 0.00 H ATOM 800 H LYS A 50 3.303 2.311 4.919 1.00 0.00 H ATOM 801 N LEU A 51 4.509 1.721 7.801 1.00 0.00 N ATOM 802 CA LEU A 51 4.778 1.897 9.246 1.00 0.00 C ATOM 803 C LEU A 51 3.583 1.462 10.136 1.00 0.00 C ATOM 804 O LEU A 51 3.574 1.675 11.351 1.00 0.00 O ATOM 805 CB LEU A 51 5.225 3.356 9.505 1.00 0.00 C ATOM 806 CG LEU A 51 6.479 3.509 10.393 1.00 0.00 C ATOM 807 CD1 LEU A 51 6.874 4.986 10.466 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.292 3.008 11.824 1.00 0.00 C ATOM 809 HA LEU A 51 5.591 1.231 9.535 1.00 0.00 H ATOM 810 HB2 LEU A 51 5.434 3.821 8.542 1.00 0.00 H ATOM 811 HB3 LEU A 51 4.402 3.881 9.990 1.00 0.00 H ATOM 812 HG LEU A 51 7.250 2.896 9.926 1.00 0.00 H ATOM 813 HD21 LEU A 51 5.488 3.568 12.302 1.00 0.00 H ATOM 814 HD22 LEU A 51 6.037 1.948 11.806 1.00 0.00 H ATOM 815 HD23 LEU A 51 7.218 3.151 12.382 1.00 0.00 H ATOM 816 HD11 LEU A 51 7.091 5.353 9.463 1.00 0.00 H ATOM 817 HD12 LEU A 51 6.052 5.560 10.894 1.00 0.00 H ATOM 818 HD13 LEU A 51 7.759 5.094 11.093 1.00 0.00 H ATOM 819 H LEU A 51 3.795 2.348 7.380 1.00 0.00 H ATOM 820 N GLY A 52 2.556 0.850 9.535 1.00 0.00 N ATOM 821 CA GLY A 52 1.414 0.277 10.249 1.00 0.00 C ATOM 822 C GLY A 52 0.380 1.285 10.771 1.00 0.00 C ATOM 823 O GLY A 52 -0.403 0.933 11.650 1.00 0.00 O ATOM 824 HA3 GLY A 52 1.798 -0.281 11.103 1.00 0.00 H ATOM 825 HA2 GLY A 52 0.903 -0.406 9.570 1.00 0.00 H ATOM 826 H GLY A 52 2.570 0.777 8.498 1.00 0.00 H ATOM 827 N GLU A 53 0.362 2.519 10.263 1.00 0.00 N ATOM 828 CA GLU A 53 -0.591 3.587 10.621 1.00 0.00 C ATOM 829 C GLU A 53 -1.648 3.773 9.509 1.00 0.00 C ATOM 830 O GLU A 53 -1.877 4.866 8.978 1.00 0.00 O ATOM 831 CB GLU A 53 0.154 4.880 11.017 1.00 0.00 C ATOM 832 CG GLU A 53 1.210 4.734 12.135 1.00 0.00 C ATOM 833 CD GLU A 53 0.666 4.343 13.523 1.00 0.00 C ATOM 834 OE1 GLU A 53 -0.546 4.486 13.809 1.00 0.00 O ATOM 835 OE2 GLU A 53 1.466 3.921 14.391 1.00 0.00 O ATOM 836 HA GLU A 53 -1.150 3.293 11.509 1.00 0.00 H ATOM 837 HB2 GLU A 53 0.658 5.261 10.129 1.00 0.00 H ATOM 838 HB3 GLU A 53 -0.588 5.605 11.351 1.00 0.00 H ATOM 839 HG2 GLU A 53 1.921 3.968 11.826 1.00 0.00 H ATOM 840 HG3 GLU A 53 1.727 5.689 12.234 1.00 0.00 H ATOM 841 H GLU A 53 1.084 2.748 9.551 1.00 0.00 H ATOM 842 N TYR A 54 -2.296 2.665 9.132 1.00 0.00 N ATOM 843 CA TYR A 54 -3.330 2.605 8.095 1.00 0.00 C ATOM 844 C TYR A 54 -4.520 3.541 8.387 1.00 0.00 C ATOM 845 O TYR A 54 -5.095 4.091 7.445 1.00 0.00 O ATOM 846 CB TYR A 54 -3.816 1.154 7.887 1.00 0.00 C ATOM 847 CG TYR A 54 -2.767 0.060 8.022 1.00 0.00 C ATOM 848 CD1 TYR A 54 -2.533 -0.524 9.284 1.00 0.00 C ATOM 849 CD2 TYR A 54 -2.074 -0.415 6.892 1.00 0.00 C ATOM 850 CE1 TYR A 54 -1.610 -1.577 9.419 1.00 0.00 C ATOM 851 CE2 TYR A 54 -1.138 -1.460 7.027 1.00 0.00 C ATOM 852 CZ TYR A 54 -0.912 -2.051 8.289 1.00 0.00 C ATOM 853 OH TYR A 54 -0.020 -3.067 8.418 1.00 0.00 O ATOM 854 HA TYR A 54 -2.869 2.958 7.173 1.00 0.00 H ATOM 855 HB3 TYR A 54 -4.238 1.086 6.884 1.00 0.00 H ATOM 856 HB2 TYR A 54 -4.596 0.957 8.622 1.00 0.00 H ATOM 857 HD2 TYR A 54 -2.261 0.026 5.913 1.00 0.00 H ATOM 858 HE2 TYR A 54 -0.587 -1.813 6.155 1.00 0.00 H ATOM 859 HE1 TYR A 54 -1.434 -2.026 10.396 1.00 0.00 H ATOM 860 HD1 TYR A 54 -3.070 -0.158 10.159 1.00 0.00 H ATOM 861 HH TYR A 54 0.012 -3.359 9.364 1.00 0.00 H ATOM 862 H TYR A 54 -2.047 1.777 9.612 1.00 0.00 H ATOM 863 N THR A 55 -4.838 3.807 9.663 1.00 0.00 N ATOM 864 CA THR A 55 -5.881 4.779 10.064 1.00 0.00 C ATOM 865 C THR A 55 -5.547 6.214 9.627 1.00 0.00 C ATOM 866 O THR A 55 -6.463 6.989 9.341 1.00 0.00 O ATOM 867 CB THR A 55 -6.141 4.754 11.584 1.00 0.00 C ATOM 868 OG1 THR A 55 -6.274 3.441 12.097 1.00 0.00 O ATOM 869 CG2 THR A 55 -7.423 5.477 11.986 1.00 0.00 C ATOM 870 HA THR A 55 -6.787 4.465 9.546 1.00 0.00 H ATOM 871 HB THR A 55 -5.265 5.254 11.996 1.00 0.00 H ATOM 872 HG1 THR A 55 -6.439 3.484 13.072 1.00 0.00 H ATOM 873 HG23 THR A 55 -7.390 6.503 11.621 1.00 0.00 H ATOM 874 HG21 THR A 55 -8.280 4.963 11.551 1.00 0.00 H ATOM 875 HG22 THR A 55 -7.512 5.479 13.072 1.00 0.00 H ATOM 876 H THR A 55 -4.323 3.302 10.413 1.00 0.00 H ATOM 877 N GLN A 56 -4.263 6.572 9.486 1.00 0.00 N ATOM 878 CA GLN A 56 -3.881 7.838 8.843 1.00 0.00 C ATOM 879 C GLN A 56 -4.003 7.747 7.320 1.00 0.00 C ATOM 880 O GLN A 56 -4.489 8.672 6.675 1.00 0.00 O ATOM 881 CB GLN A 56 -2.444 8.258 9.200 1.00 0.00 C ATOM 882 CG GLN A 56 -2.089 8.283 10.687 1.00 0.00 C ATOM 883 CD GLN A 56 -3.212 8.767 11.588 1.00 0.00 C ATOM 884 OE1 GLN A 56 -3.743 9.867 11.465 1.00 0.00 O ATOM 885 NE2 GLN A 56 -3.648 7.914 12.485 1.00 0.00 N ATOM 886 HA GLN A 56 -4.572 8.591 9.222 1.00 0.00 H ATOM 887 HB2 GLN A 56 -1.764 7.562 8.709 1.00 0.00 H ATOM 888 HB3 GLN A 56 -2.284 9.261 8.804 1.00 0.00 H ATOM 889 HG2 GLN A 56 -1.818 7.272 10.991 1.00 0.00 H ATOM 890 HG3 GLN A 56 -1.233 8.943 10.823 1.00 0.00 H ATOM 891 HE22 GLN A 56 -3.193 6.984 12.583 1.00 0.00 H ATOM 892 HE21 GLN A 56 -4.449 8.168 13.098 1.00 0.00 H ATOM 893 H GLN A 56 -3.518 5.938 9.840 1.00 0.00 H ATOM 894 N ALA A 57 -3.598 6.621 6.725 1.00 0.00 N ATOM 895 CA ALA A 57 -3.575 6.465 5.272 1.00 0.00 C ATOM 896 C ALA A 57 -4.975 6.564 4.633 1.00 0.00 C ATOM 897 O ALA A 57 -5.119 7.205 3.591 1.00 0.00 O ATOM 898 CB ALA A 57 -2.882 5.148 4.929 1.00 0.00 C ATOM 899 HA ALA A 57 -3.011 7.295 4.846 1.00 0.00 H ATOM 900 HB1 ALA A 57 -1.863 5.164 5.315 1.00 0.00 H ATOM 901 HB2 ALA A 57 -3.431 4.322 5.381 1.00 0.00 H ATOM 902 HB3 ALA A 57 -2.860 5.022 3.847 1.00 0.00 H ATOM 903 H ALA A 57 -3.287 5.825 7.318 1.00 0.00 H ATOM 904 N ILE A 58 -6.015 6.005 5.266 1.00 0.00 N ATOM 905 CA ILE A 58 -7.406 6.108 4.779 1.00 0.00 C ATOM 906 C ILE A 58 -7.938 7.553 4.773 1.00 0.00 C ATOM 907 O ILE A 58 -8.718 7.915 3.890 1.00 0.00 O ATOM 908 CB ILE A 58 -8.351 5.156 5.552 1.00 0.00 C ATOM 909 CG1 ILE A 58 -8.412 5.478 7.064 1.00 0.00 C ATOM 910 CG2 ILE A 58 -7.945 3.693 5.296 1.00 0.00 C ATOM 911 CD1 ILE A 58 -9.377 4.596 7.866 1.00 0.00 C ATOM 912 HA ILE A 58 -7.388 5.788 3.737 1.00 0.00 H ATOM 913 HB ILE A 58 -9.362 5.310 5.174 1.00 0.00 H ATOM 914 HG12 ILE A 58 -7.412 5.353 7.479 1.00 0.00 H ATOM 915 HG13 ILE A 58 -8.725 6.516 7.179 1.00 0.00 H ATOM 916 HD11 ILE A 58 -10.387 4.717 7.475 1.00 0.00 H ATOM 917 HD12 ILE A 58 -9.074 3.553 7.776 1.00 0.00 H ATOM 918 HD13 ILE A 58 -9.353 4.894 8.914 1.00 0.00 H ATOM 919 HG21 ILE A 58 -8.013 3.480 4.229 1.00 0.00 H ATOM 920 HG22 ILE A 58 -6.921 3.537 5.635 1.00 0.00 H ATOM 921 HG23 ILE A 58 -8.615 3.030 5.844 1.00 0.00 H ATOM 922 H ILE A 58 -5.835 5.473 6.142 1.00 0.00 H ATOM 923 N GLN A 59 -7.473 8.405 5.691 1.00 0.00 N ATOM 924 CA GLN A 59 -7.752 9.846 5.685 1.00 0.00 C ATOM 925 C GLN A 59 -6.877 10.588 4.660 1.00 0.00 C ATOM 926 O GLN A 59 -7.393 11.371 3.861 1.00 0.00 O ATOM 927 CB GLN A 59 -7.648 10.381 7.122 1.00 0.00 C ATOM 928 CG GLN A 59 -7.540 11.912 7.250 1.00 0.00 C ATOM 929 CD GLN A 59 -6.104 12.437 7.162 1.00 0.00 C ATOM 930 OE1 GLN A 59 -5.145 11.793 7.557 1.00 0.00 O ATOM 931 NE2 GLN A 59 -5.895 13.651 6.707 1.00 0.00 N ATOM 932 HA GLN A 59 -8.772 10.033 5.348 1.00 0.00 H ATOM 933 HB2 GLN A 59 -8.536 10.059 7.666 1.00 0.00 H ATOM 934 HB3 GLN A 59 -6.763 9.941 7.582 1.00 0.00 H ATOM 935 HG2 GLN A 59 -8.123 12.367 6.449 1.00 0.00 H ATOM 936 HG3 GLN A 59 -7.956 12.207 8.213 1.00 0.00 H ATOM 937 HE22 GLN A 59 -6.693 14.222 6.364 1.00 0.00 H ATOM 938 HE21 GLN A 59 -4.931 14.041 6.690 1.00 0.00 H ATOM 939 H GLN A 59 -6.878 8.025 6.455 1.00 0.00 H ATOM 940 N MET A 60 -5.575 10.304 4.605 1.00 0.00 N ATOM 941 CA MET A 60 -4.646 10.983 3.694 1.00 0.00 C ATOM 942 C MET A 60 -4.944 10.704 2.210 1.00 0.00 C ATOM 943 O MET A 60 -4.728 11.572 1.366 1.00 0.00 O ATOM 944 CB MET A 60 -3.203 10.626 4.074 1.00 0.00 C ATOM 945 CG MET A 60 -2.199 11.494 3.301 1.00 0.00 C ATOM 946 SD MET A 60 -0.524 11.518 3.988 1.00 0.00 S ATOM 947 CE MET A 60 -0.833 12.537 5.462 1.00 0.00 C ATOM 948 HA MET A 60 -4.786 12.058 3.811 1.00 0.00 H ATOM 949 HB2 MET A 60 -3.065 10.788 5.143 1.00 0.00 H ATOM 950 HB3 MET A 60 -3.022 9.577 3.840 1.00 0.00 H ATOM 951 HG2 MET A 60 -2.575 12.517 3.289 1.00 0.00 H ATOM 952 HG3 MET A 60 -2.141 11.117 2.280 1.00 0.00 H ATOM 953 HE1 MET A 60 -1.208 13.513 5.155 1.00 0.00 H ATOM 954 HE2 MET A 60 -1.572 12.045 6.094 1.00 0.00 H ATOM 955 HE3 MET A 60 0.097 12.662 6.017 1.00 0.00 H ATOM 956 H MET A 60 -5.201 9.567 5.237 1.00 0.00 H ATOM 957 N CYS A 61 -5.516 9.543 1.873 1.00 0.00 N ATOM 958 CA CYS A 61 -5.982 9.281 0.509 1.00 0.00 C ATOM 959 C CYS A 61 -7.163 10.182 0.113 1.00 0.00 C ATOM 960 O CYS A 61 -7.162 10.708 -0.996 1.00 0.00 O ATOM 961 CB CYS A 61 -6.329 7.800 0.336 1.00 0.00 C ATOM 962 SG CYS A 61 -4.838 6.785 0.516 1.00 0.00 S ATOM 963 HA CYS A 61 -5.164 9.526 -0.168 1.00 0.00 H ATOM 964 HB2 CYS A 61 -6.755 7.643 -0.655 1.00 0.00 H ATOM 965 HB3 CYS A 61 -7.057 7.509 1.093 1.00 0.00 H ATOM 966 HG CYS A 61 -4.299 6.981 1.771 1.00 0.00 H ATOM 967 H CYS A 61 -5.633 8.807 2.598 1.00 0.00 H ATOM 968 N GLN A 62 -8.118 10.438 1.018 1.00 0.00 N ATOM 969 CA GLN A 62 -9.193 11.416 0.784 1.00 0.00 C ATOM 970 C GLN A 62 -8.607 12.823 0.610 1.00 0.00 C ATOM 971 O GLN A 62 -8.917 13.497 -0.369 1.00 0.00 O ATOM 972 CB GLN A 62 -10.213 11.394 1.937 1.00 0.00 C ATOM 973 CG GLN A 62 -10.982 10.069 2.060 1.00 0.00 C ATOM 974 CD GLN A 62 -11.716 9.981 3.395 1.00 0.00 C ATOM 975 OE1 GLN A 62 -12.664 10.703 3.676 1.00 0.00 O ATOM 976 NE2 GLN A 62 -11.296 9.114 4.288 1.00 0.00 N ATOM 977 HA GLN A 62 -9.713 11.140 -0.134 1.00 0.00 H ATOM 978 HB2 GLN A 62 -9.680 11.570 2.871 1.00 0.00 H ATOM 979 HB3 GLN A 62 -10.933 12.196 1.774 1.00 0.00 H ATOM 980 HG2 GLN A 62 -11.708 10.002 1.249 1.00 0.00 H ATOM 981 HG3 GLN A 62 -10.278 9.240 1.985 1.00 0.00 H ATOM 982 HE22 GLN A 62 -10.492 8.491 4.070 1.00 0.00 H ATOM 983 HE21 GLN A 62 -11.767 9.051 5.213 1.00 0.00 H ATOM 984 H GLN A 62 -8.099 9.925 1.922 1.00 0.00 H ATOM 985 N GLN A 63 -7.671 13.223 1.479 1.00 0.00 N ATOM 986 CA GLN A 63 -6.946 14.490 1.345 1.00 0.00 C ATOM 987 C GLN A 63 -6.235 14.621 -0.014 1.00 0.00 C ATOM 988 O GLN A 63 -6.199 15.718 -0.563 1.00 0.00 O ATOM 989 CB GLN A 63 -5.978 14.638 2.533 1.00 0.00 C ATOM 990 CG GLN A 63 -5.138 15.931 2.532 1.00 0.00 C ATOM 991 CD GLN A 63 -3.715 15.721 2.009 1.00 0.00 C ATOM 992 OE1 GLN A 63 -2.770 15.565 2.769 1.00 0.00 O ATOM 993 NE2 GLN A 63 -3.490 15.685 0.714 1.00 0.00 N ATOM 994 HA GLN A 63 -7.662 15.311 1.369 1.00 0.00 H ATOM 995 HB2 GLN A 63 -6.564 14.616 3.452 1.00 0.00 H ATOM 996 HB3 GLN A 63 -5.294 13.790 2.520 1.00 0.00 H ATOM 997 HG2 GLN A 63 -5.635 16.668 1.901 1.00 0.00 H ATOM 998 HG3 GLN A 63 -5.081 16.309 3.553 1.00 0.00 H ATOM 999 HE22 GLN A 63 -4.276 15.815 0.046 1.00 0.00 H ATOM 1000 HE21 GLN A 63 -2.526 15.527 0.358 1.00 0.00 H ATOM 1001 H GLN A 63 -7.448 12.607 2.286 1.00 0.00 H ATOM 1002 N GLY A 64 -5.672 13.551 -0.585 1.00 0.00 N ATOM 1003 CA GLY A 64 -5.015 13.597 -1.901 1.00 0.00 C ATOM 1004 C GLY A 64 -5.965 13.528 -3.105 1.00 0.00 C ATOM 1005 O GLY A 64 -5.634 14.056 -4.163 1.00 0.00 O ATOM 1006 HA3 GLY A 64 -4.327 12.754 -1.965 1.00 0.00 H ATOM 1007 HA2 GLY A 64 -4.454 14.529 -1.966 1.00 0.00 H ATOM 1008 H GLY A 64 -5.700 12.645 -0.076 1.00 0.00 H ATOM 1009 N LEU A 65 -7.175 12.973 -2.961 1.00 0.00 N ATOM 1010 CA LEU A 65 -8.212 13.031 -4.008 1.00 0.00 C ATOM 1011 C LEU A 65 -8.710 14.467 -4.263 1.00 0.00 C ATOM 1012 O LEU A 65 -9.177 14.764 -5.361 1.00 0.00 O ATOM 1013 CB LEU A 65 -9.352 12.055 -3.663 1.00 0.00 C ATOM 1014 CG LEU A 65 -8.938 10.579 -3.828 1.00 0.00 C ATOM 1015 CD1 LEU A 65 -9.977 9.657 -3.192 1.00 0.00 C ATOM 1016 CD2 LEU A 65 -8.764 10.181 -5.298 1.00 0.00 C ATOM 1017 HA LEU A 65 -7.769 12.713 -4.952 1.00 0.00 H ATOM 1018 HB2 LEU A 65 -9.652 12.220 -2.628 1.00 0.00 H ATOM 1019 HB3 LEU A 65 -10.196 12.257 -4.322 1.00 0.00 H ATOM 1020 HG LEU A 65 -7.976 10.471 -3.326 1.00 0.00 H ATOM 1021 HD21 LEU A 65 -9.706 10.328 -5.827 1.00 0.00 H ATOM 1022 HD22 LEU A 65 -7.991 10.801 -5.752 1.00 0.00 H ATOM 1023 HD23 LEU A 65 -8.472 9.132 -5.357 1.00 0.00 H ATOM 1024 HD11 LEU A 65 -10.061 9.885 -2.129 1.00 0.00 H ATOM 1025 HD12 LEU A 65 -10.942 9.811 -3.675 1.00 0.00 H ATOM 1026 HD13 LEU A 65 -9.667 8.620 -3.319 1.00 0.00 H ATOM 1027 H LEU A 65 -7.393 12.479 -2.072 1.00 0.00 H ATOM 1028 N ARG A 66 -8.486 15.393 -3.321 1.00 0.00 N ATOM 1029 CA ARG A 66 -8.699 16.850 -3.481 1.00 0.00 C ATOM 1030 C ARG A 66 -7.670 17.560 -4.387 1.00 0.00 C ATOM 1031 O ARG A 66 -7.702 18.785 -4.504 1.00 0.00 O ATOM 1032 CB ARG A 66 -8.777 17.528 -2.102 1.00 0.00 C ATOM 1033 CG ARG A 66 -9.788 16.874 -1.144 1.00 0.00 C ATOM 1034 CD ARG A 66 -9.703 17.527 0.235 1.00 0.00 C ATOM 1035 NE ARG A 66 -10.345 16.701 1.274 1.00 0.00 N ATOM 1036 CZ ARG A 66 -10.073 16.720 2.565 1.00 0.00 C ATOM 1037 NH1 ARG A 66 -9.244 17.590 3.076 1.00 0.00 N ATOM 1038 NH2 ARG A 66 -10.635 15.852 3.355 1.00 0.00 N ATOM 1039 HA ARG A 66 -9.650 16.954 -4.004 1.00 0.00 H ATOM 1040 HB2 ARG A 66 -7.790 17.485 -1.642 1.00 0.00 H ATOM 1041 HB3 ARG A 66 -9.064 18.569 -2.247 1.00 0.00 H ATOM 1042 HG2 ARG A 66 -10.795 17.000 -1.541 1.00 0.00 H ATOM 1043 HG3 ARG A 66 -9.564 15.811 -1.054 1.00 0.00 H ATOM 1044 HD2 ARG A 66 -10.200 18.496 0.198 1.00 0.00 H ATOM 1045 HD3 ARG A 66 -8.654 17.668 0.495 1.00 0.00 H ATOM 1046 HE ARG A 66 -11.083 16.040 0.959 1.00 0.00 H ATOM 1047 HH12 ARG A 66 -9.047 17.583 4.097 1.00 0.00 H ATOM 1048 HH11 ARG A 66 -8.781 18.290 2.462 1.00 0.00 H ATOM 1049 HH22 ARG A 66 -10.424 15.863 4.373 1.00 0.00 H ATOM 1050 HH21 ARG A 66 -11.295 15.148 2.968 1.00 0.00 H ATOM 1051 H ARG A 66 -8.133 15.061 -2.401 1.00 0.00 H ATOM 1052 N TYR A 67 -6.759 16.818 -5.021 1.00 0.00 N ATOM 1053 CA TYR A 67 -5.694 17.311 -5.913 1.00 0.00 C ATOM 1054 C TYR A 67 -5.816 16.684 -7.324 1.00 0.00 C ATOM 1055 O TYR A 67 -4.837 16.186 -7.882 1.00 0.00 O ATOM 1056 CB TYR A 67 -4.317 17.036 -5.270 1.00 0.00 C ATOM 1057 CG TYR A 67 -3.975 17.775 -3.982 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -4.593 17.426 -2.765 1.00 0.00 C ATOM 1059 CD2 TYR A 67 -2.982 18.775 -3.992 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -4.265 18.117 -1.579 1.00 0.00 C ATOM 1061 CE2 TYR A 67 -2.637 19.452 -2.807 1.00 0.00 C ATOM 1062 CZ TYR A 67 -3.286 19.129 -1.598 1.00 0.00 C ATOM 1063 OH TYR A 67 -2.931 19.767 -0.453 1.00 0.00 O ATOM 1064 HA TYR A 67 -5.800 18.388 -6.043 1.00 0.00 H ATOM 1065 HB3 TYR A 67 -3.556 17.296 -6.006 1.00 0.00 H ATOM 1066 HB2 TYR A 67 -4.265 15.968 -5.056 1.00 0.00 H ATOM 1067 HD2 TYR A 67 -2.477 19.026 -4.925 1.00 0.00 H ATOM 1068 HE2 TYR A 67 -1.869 20.225 -2.824 1.00 0.00 H ATOM 1069 HE1 TYR A 67 -4.771 17.867 -0.646 1.00 0.00 H ATOM 1070 HD1 TYR A 67 -5.326 16.620 -2.739 1.00 0.00 H ATOM 1071 HH TYR A 67 -3.479 19.425 0.297 1.00 0.00 H ATOM 1072 H TYR A 67 -6.805 15.790 -4.871 1.00 0.00 H ATOM 1073 N THR A 68 -7.033 16.615 -7.883 1.00 0.00 N ATOM 1074 CA THR A 68 -7.357 15.769 -9.056 1.00 0.00 C ATOM 1075 C THR A 68 -8.137 16.454 -10.187 1.00 0.00 C ATOM 1076 O THR A 68 -8.381 15.818 -11.211 1.00 0.00 O ATOM 1077 CB THR A 68 -8.116 14.498 -8.634 1.00 0.00 C ATOM 1078 OG1 THR A 68 -9.346 14.809 -8.012 1.00 0.00 O ATOM 1079 CG2 THR A 68 -7.306 13.604 -7.697 1.00 0.00 C ATOM 1080 HA THR A 68 -6.377 15.529 -9.468 1.00 0.00 H ATOM 1081 HB THR A 68 -8.297 13.951 -9.559 1.00 0.00 H ATOM 1082 HG1 THR A 68 -9.177 15.355 -7.204 1.00 0.00 H ATOM 1083 HG23 THR A 68 -6.354 13.357 -8.166 1.00 0.00 H ATOM 1084 HG21 THR A 68 -7.125 14.131 -6.760 1.00 0.00 H ATOM 1085 HG22 THR A 68 -7.863 12.688 -7.499 1.00 0.00 H ATOM 1086 H THR A 68 -7.795 17.189 -7.469 1.00 0.00 H ATOM 1087 N SER A 69 -8.521 17.729 -10.058 1.00 0.00 N ATOM 1088 CA SER A 69 -9.532 18.370 -10.924 1.00 0.00 C ATOM 1089 C SER A 69 -9.211 18.516 -12.428 1.00 0.00 C ATOM 1090 O SER A 69 -10.133 18.762 -13.212 1.00 0.00 O ATOM 1091 CB SER A 69 -9.924 19.739 -10.343 1.00 0.00 C ATOM 1092 OG SER A 69 -8.810 20.616 -10.260 1.00 0.00 O ATOM 1093 HA SER A 69 -10.357 17.657 -10.911 1.00 0.00 H ATOM 1094 HB2 SER A 69 -10.334 19.594 -9.344 1.00 0.00 H ATOM 1095 HB3 SER A 69 -10.682 20.190 -10.983 1.00 0.00 H ATOM 1096 HG SER A 69 -9.102 21.483 -9.883 1.00 0.00 H ATOM 1097 H SER A 69 -8.084 18.300 -9.307 1.00 0.00 H ATOM 1098 N THR A 70 -7.954 18.372 -12.875 1.00 0.00 N ATOM 1099 CA THR A 70 -7.536 18.628 -14.276 1.00 0.00 C ATOM 1100 C THR A 70 -6.931 17.402 -14.973 1.00 0.00 C ATOM 1101 O THR A 70 -6.528 16.430 -14.325 1.00 0.00 O ATOM 1102 CB THR A 70 -6.561 19.820 -14.396 1.00 0.00 C ATOM 1103 OG1 THR A 70 -5.248 19.438 -14.057 1.00 0.00 O ATOM 1104 CG2 THR A 70 -6.931 21.022 -13.527 1.00 0.00 C ATOM 1105 HA THR A 70 -8.464 18.877 -14.790 1.00 0.00 H ATOM 1106 HB THR A 70 -6.630 20.122 -15.441 1.00 0.00 H ATOM 1107 HG1 THR A 70 -4.646 20.219 -14.142 1.00 0.00 H ATOM 1108 HG23 THR A 70 -7.945 21.343 -13.766 1.00 0.00 H ATOM 1109 HG21 THR A 70 -6.876 20.739 -12.476 1.00 0.00 H ATOM 1110 HG22 THR A 70 -6.235 21.838 -13.722 1.00 0.00 H ATOM 1111 H THR A 70 -7.228 18.062 -12.198 1.00 0.00 H ATOM 1112 N ALA A 71 -6.799 17.464 -16.303 1.00 0.00 N ATOM 1113 CA ALA A 71 -6.135 16.451 -17.134 1.00 0.00 C ATOM 1114 C ALA A 71 -4.615 16.295 -16.870 1.00 0.00 C ATOM 1115 O ALA A 71 -3.953 15.461 -17.491 1.00 0.00 O ATOM 1116 CB ALA A 71 -6.421 16.783 -18.604 1.00 0.00 C ATOM 1117 HA ALA A 71 -6.548 15.478 -16.866 1.00 0.00 H ATOM 1118 HB1 ALA A 71 -7.497 16.766 -18.776 1.00 0.00 H ATOM 1119 HB2 ALA A 71 -6.031 17.774 -18.834 1.00 0.00 H ATOM 1120 HB3 ALA A 71 -5.938 16.044 -19.243 1.00 0.00 H ATOM 1121 H ALA A 71 -7.198 18.294 -16.786 1.00 0.00 H ATOM 1122 N GLU A 72 -4.039 17.077 -15.953 1.00 0.00 N ATOM 1123 CA GLU A 72 -2.673 16.901 -15.434 1.00 0.00 C ATOM 1124 C GLU A 72 -2.607 15.859 -14.296 1.00 0.00 C ATOM 1125 O GLU A 72 -1.529 15.338 -13.987 1.00 0.00 O ATOM 1126 CB GLU A 72 -2.195 18.278 -14.942 1.00 0.00 C ATOM 1127 CG GLU A 72 -0.683 18.422 -14.743 1.00 0.00 C ATOM 1128 CD GLU A 72 0.057 18.439 -16.083 1.00 0.00 C ATOM 1129 OE1 GLU A 72 0.266 19.539 -16.645 1.00 0.00 O ATOM 1130 OE2 GLU A 72 0.461 17.367 -16.579 1.00 0.00 O ATOM 1131 HA GLU A 72 -2.027 16.519 -16.225 1.00 0.00 H ATOM 1132 HB2 GLU A 72 -2.510 19.023 -15.673 1.00 0.00 H ATOM 1133 HB3 GLU A 72 -2.680 18.480 -13.987 1.00 0.00 H ATOM 1134 HG2 GLU A 72 -0.482 19.354 -14.214 1.00 0.00 H ATOM 1135 HG3 GLU A 72 -0.322 17.583 -14.148 1.00 0.00 H ATOM 1136 H GLU A 72 -4.598 17.870 -15.578 1.00 0.00 H ATOM 1137 N HIS A 73 -3.755 15.533 -13.686 1.00 0.00 N ATOM 1138 CA HIS A 73 -3.869 14.796 -12.419 1.00 0.00 C ATOM 1139 C HIS A 73 -4.848 13.596 -12.468 1.00 0.00 C ATOM 1140 O HIS A 73 -5.218 13.050 -11.428 1.00 0.00 O ATOM 1141 CB HIS A 73 -4.236 15.788 -11.305 1.00 0.00 C ATOM 1142 CG HIS A 73 -3.376 17.030 -11.243 1.00 0.00 C ATOM 1143 ND1 HIS A 73 -2.019 17.090 -11.016 1.00 0.00 N ATOM 1144 CD2 HIS A 73 -3.809 18.317 -11.408 1.00 0.00 C ATOM 1145 CE1 HIS A 73 -1.649 18.382 -11.037 1.00 0.00 C ATOM 1146 NE2 HIS A 73 -2.709 19.178 -11.270 1.00 0.00 N ATOM 1147 HA HIS A 73 -2.900 14.341 -12.214 1.00 0.00 H ATOM 1148 HB2 HIS A 73 -5.269 16.100 -11.457 1.00 0.00 H ATOM 1149 HB3 HIS A 73 -4.151 15.270 -10.350 1.00 0.00 H ATOM 1150 HD2 HIS A 73 -4.835 18.622 -11.612 1.00 0.00 H ATOM 1151 HE1 HIS A 73 -0.629 18.737 -10.886 1.00 0.00 H ATOM 1152 H HIS A 73 -4.640 15.826 -14.148 1.00 0.00 H ATOM 1153 N VAL A 74 -5.255 13.138 -13.657 1.00 0.00 N ATOM 1154 CA VAL A 74 -6.102 11.935 -13.818 1.00 0.00 C ATOM 1155 C VAL A 74 -5.398 10.654 -13.330 1.00 0.00 C ATOM 1156 O VAL A 74 -6.036 9.760 -12.772 1.00 0.00 O ATOM 1157 CB VAL A 74 -6.604 11.826 -15.274 1.00 0.00 C ATOM 1158 CG1 VAL A 74 -5.491 11.555 -16.295 1.00 0.00 C ATOM 1159 CG2 VAL A 74 -7.692 10.758 -15.419 1.00 0.00 C ATOM 1160 HA VAL A 74 -6.976 12.046 -13.176 1.00 0.00 H ATOM 1161 HB VAL A 74 -7.020 12.808 -15.498 1.00 0.00 H ATOM 1162 HG11 VAL A 74 -4.765 12.367 -16.263 1.00 0.00 H ATOM 1163 HG12 VAL A 74 -4.997 10.614 -16.051 1.00 0.00 H ATOM 1164 HG13 VAL A 74 -5.923 11.492 -17.294 1.00 0.00 H ATOM 1165 HG21 VAL A 74 -7.291 9.790 -15.120 1.00 0.00 H ATOM 1166 HG22 VAL A 74 -8.538 11.014 -14.782 1.00 0.00 H ATOM 1167 HG23 VAL A 74 -8.019 10.713 -16.458 1.00 0.00 H ATOM 1168 H VAL A 74 -4.961 13.653 -14.511 1.00 0.00 H ATOM 1169 N ALA A 75 -4.065 10.597 -13.426 1.00 0.00 N ATOM 1170 CA ALA A 75 -3.252 9.530 -12.843 1.00 0.00 C ATOM 1171 C ALA A 75 -3.251 9.578 -11.305 1.00 0.00 C ATOM 1172 O ALA A 75 -3.364 8.538 -10.657 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.829 9.647 -13.397 1.00 0.00 C ATOM 1174 HA ALA A 75 -3.682 8.567 -13.118 1.00 0.00 H ATOM 1175 HB1 ALA A 75 -1.854 9.547 -14.482 1.00 0.00 H ATOM 1176 HB2 ALA A 75 -1.415 10.619 -13.130 1.00 0.00 H ATOM 1177 HB3 ALA A 75 -1.209 8.858 -12.972 1.00 0.00 H ATOM 1178 H ALA A 75 -3.578 11.355 -13.945 1.00 0.00 H ATOM 1179 N ILE A 76 -3.210 10.780 -10.715 1.00 0.00 N ATOM 1180 CA ILE A 76 -3.313 11.003 -9.260 1.00 0.00 C ATOM 1181 C ILE A 76 -4.665 10.504 -8.729 1.00 0.00 C ATOM 1182 O ILE A 76 -4.727 9.897 -7.658 1.00 0.00 O ATOM 1183 CB ILE A 76 -3.090 12.500 -8.930 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -1.735 13.038 -9.445 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -3.252 12.804 -7.434 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -0.483 12.331 -8.900 1.00 0.00 C ATOM 1187 HA ILE A 76 -2.533 10.429 -8.760 1.00 0.00 H ATOM 1188 HB ILE A 76 -3.877 13.028 -9.468 1.00 0.00 H ATOM 1189 HG12 ILE A 76 -1.728 12.942 -10.531 1.00 0.00 H ATOM 1190 HG13 ILE A 76 -1.669 14.092 -9.174 1.00 0.00 H ATOM 1191 HD11 ILE A 76 -0.457 12.427 -7.815 1.00 0.00 H ATOM 1192 HD12 ILE A 76 -0.516 11.276 -9.172 1.00 0.00 H ATOM 1193 HD13 ILE A 76 0.408 12.791 -9.328 1.00 0.00 H ATOM 1194 HG21 ILE A 76 -4.260 12.537 -7.117 1.00 0.00 H ATOM 1195 HG22 ILE A 76 -2.526 12.223 -6.866 1.00 0.00 H ATOM 1196 HG23 ILE A 76 -3.085 13.867 -7.260 1.00 0.00 H ATOM 1197 H ILE A 76 -3.098 11.615 -11.325 1.00 0.00 H ATOM 1198 N ARG A 77 -5.739 10.698 -9.506 1.00 0.00 N ATOM 1199 CA ARG A 77 -7.104 10.270 -9.166 1.00 0.00 C ATOM 1200 C ARG A 77 -7.225 8.748 -9.016 1.00 0.00 C ATOM 1201 O ARG A 77 -7.764 8.290 -8.009 1.00 0.00 O ATOM 1202 CB ARG A 77 -8.061 10.861 -10.218 1.00 0.00 C ATOM 1203 CG ARG A 77 -9.512 10.927 -9.730 1.00 0.00 C ATOM 1204 CD ARG A 77 -10.413 11.640 -10.746 1.00 0.00 C ATOM 1205 NE ARG A 77 -10.618 10.825 -11.954 1.00 0.00 N ATOM 1206 CZ ARG A 77 -11.269 11.179 -13.043 1.00 0.00 C ATOM 1207 NH1 ARG A 77 -11.820 12.349 -13.183 1.00 0.00 N ATOM 1208 NH2 ARG A 77 -11.384 10.349 -14.035 1.00 0.00 N ATOM 1209 HA ARG A 77 -7.379 10.652 -8.183 1.00 0.00 H ATOM 1210 HB2 ARG A 77 -7.729 11.870 -10.463 1.00 0.00 H ATOM 1211 HB3 ARG A 77 -8.022 10.240 -11.113 1.00 0.00 H ATOM 1212 HG2 ARG A 77 -9.882 9.913 -9.578 1.00 0.00 H ATOM 1213 HG3 ARG A 77 -9.544 11.469 -8.785 1.00 0.00 H ATOM 1214 HD2 ARG A 77 -9.948 12.584 -11.030 1.00 0.00 H ATOM 1215 HD3 ARG A 77 -11.380 11.838 -10.284 1.00 0.00 H ATOM 1216 HE ARG A 77 -10.206 9.870 -11.947 1.00 0.00 H ATOM 1217 HH12 ARG A 77 -12.324 12.585 -14.062 1.00 0.00 H ATOM 1218 HH11 ARG A 77 -11.756 13.049 -12.416 1.00 0.00 H ATOM 1219 HH22 ARG A 77 -11.899 10.632 -14.893 1.00 0.00 H ATOM 1220 HH21 ARG A 77 -10.961 9.401 -13.971 1.00 0.00 H ATOM 1221 H ARG A 77 -5.597 11.186 -10.414 1.00 0.00 H ATOM 1222 N SER A 78 -6.633 7.978 -9.935 1.00 0.00 N ATOM 1223 CA SER A 78 -6.428 6.524 -9.786 1.00 0.00 C ATOM 1224 C SER A 78 -5.495 6.196 -8.618 1.00 0.00 C ATOM 1225 O SER A 78 -5.832 5.378 -7.757 1.00 0.00 O ATOM 1226 CB SER A 78 -5.864 5.951 -11.095 1.00 0.00 C ATOM 1227 OG SER A 78 -5.462 4.601 -10.944 1.00 0.00 O ATOM 1228 HA SER A 78 -7.393 6.066 -9.567 1.00 0.00 H ATOM 1229 HB2 SER A 78 -5.002 6.545 -11.399 1.00 0.00 H ATOM 1230 HB3 SER A 78 -6.632 6.007 -11.866 1.00 0.00 H ATOM 1231 HG SER A 78 -5.105 4.266 -11.804 1.00 0.00 H ATOM 1232 H SER A 78 -6.296 8.431 -10.808 1.00 0.00 H ATOM 1233 N LYS A 79 -4.346 6.876 -8.544 1.00 0.00 N ATOM 1234 CA LYS A 79 -3.274 6.572 -7.594 1.00 0.00 C ATOM 1235 C LYS A 79 -3.736 6.631 -6.132 1.00 0.00 C ATOM 1236 O LYS A 79 -3.466 5.690 -5.389 1.00 0.00 O ATOM 1237 CB LYS A 79 -2.059 7.452 -7.922 1.00 0.00 C ATOM 1238 CG LYS A 79 -0.862 7.150 -7.016 1.00 0.00 C ATOM 1239 CD LYS A 79 0.496 7.336 -7.701 1.00 0.00 C ATOM 1240 CE LYS A 79 0.787 8.729 -8.270 1.00 0.00 C ATOM 1241 NZ LYS A 79 2.213 8.845 -8.669 1.00 0.00 N ATOM 1242 HA LYS A 79 -2.967 5.532 -7.709 1.00 0.00 H ATOM 1243 HB2 LYS A 79 -1.768 7.277 -8.958 1.00 0.00 H ATOM 1244 HB3 LYS A 79 -2.339 8.498 -7.796 1.00 0.00 H ATOM 1245 HG2 LYS A 79 -0.906 7.816 -6.154 1.00 0.00 H ATOM 1246 HG3 LYS A 79 -0.938 6.116 -6.679 1.00 0.00 H ATOM 1247 HD2 LYS A 79 1.271 7.108 -6.969 1.00 0.00 H ATOM 1248 HD3 LYS A 79 0.553 6.623 -8.523 1.00 0.00 H ATOM 1249 HE2 LYS A 79 0.565 9.479 -7.511 1.00 0.00 H ATOM 1250 HE3 LYS A 79 0.156 8.899 -9.142 1.00 0.00 H ATOM 1251 HZ1 LYS A 79 2.818 8.687 -7.838 1.00 0.00 H ATOM 1252 HZ2 LYS A 79 2.427 8.133 -9.396 1.00 0.00 H ATOM 1253 HZ3 LYS A 79 2.388 9.796 -9.052 1.00 0.00 H ATOM 1254 H LYS A 79 -4.205 7.669 -9.201 1.00 0.00 H ATOM 1255 N LEU A 80 -4.505 7.646 -5.718 1.00 0.00 N ATOM 1256 CA LEU A 80 -5.040 7.685 -4.345 1.00 0.00 C ATOM 1257 C LEU A 80 -6.246 6.746 -4.119 1.00 0.00 C ATOM 1258 O LEU A 80 -6.444 6.302 -2.991 1.00 0.00 O ATOM 1259 CB LEU A 80 -5.324 9.128 -3.871 1.00 0.00 C ATOM 1260 CG LEU A 80 -4.118 9.984 -3.420 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -3.148 9.259 -2.480 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.309 10.524 -4.597 1.00 0.00 C ATOM 1263 HA LEU A 80 -4.245 7.289 -3.713 1.00 0.00 H ATOM 1264 HB2 LEU A 80 -5.807 9.653 -4.695 1.00 0.00 H ATOM 1265 HB3 LEU A 80 -6.013 9.065 -3.029 1.00 0.00 H ATOM 1266 HG LEU A 80 -4.584 10.803 -2.873 1.00 0.00 H ATOM 1267 HD21 LEU A 80 -2.927 9.691 -5.187 1.00 0.00 H ATOM 1268 HD22 LEU A 80 -3.949 11.148 -5.220 1.00 0.00 H ATOM 1269 HD23 LEU A 80 -2.475 11.117 -4.221 1.00 0.00 H ATOM 1270 HD11 LEU A 80 -3.678 8.953 -1.578 1.00 0.00 H ATOM 1271 HD12 LEU A 80 -2.746 8.379 -2.983 1.00 0.00 H ATOM 1272 HD13 LEU A 80 -2.332 9.931 -2.213 1.00 0.00 H ATOM 1273 H LEU A 80 -4.729 8.420 -6.376 1.00 0.00 H ATOM 1274 N GLN A 81 -7.016 6.376 -5.150 1.00 0.00 N ATOM 1275 CA GLN A 81 -8.128 5.416 -5.006 1.00 0.00 C ATOM 1276 C GLN A 81 -7.665 3.960 -4.882 1.00 0.00 C ATOM 1277 O GLN A 81 -8.260 3.199 -4.113 1.00 0.00 O ATOM 1278 CB GLN A 81 -9.150 5.600 -6.142 1.00 0.00 C ATOM 1279 CG GLN A 81 -10.232 6.582 -5.671 1.00 0.00 C ATOM 1280 CD GLN A 81 -11.080 7.167 -6.788 1.00 0.00 C ATOM 1281 OE1 GLN A 81 -12.227 6.794 -6.990 1.00 0.00 O ATOM 1282 NE2 GLN A 81 -10.572 8.138 -7.506 1.00 0.00 N ATOM 1283 HA GLN A 81 -8.619 5.642 -4.059 1.00 0.00 H ATOM 1284 HB2 GLN A 81 -8.651 5.999 -7.025 1.00 0.00 H ATOM 1285 HB3 GLN A 81 -9.605 4.640 -6.386 1.00 0.00 H ATOM 1286 HG2 GLN A 81 -10.892 6.057 -4.981 1.00 0.00 H ATOM 1287 HG3 GLN A 81 -9.742 7.404 -5.148 1.00 0.00 H ATOM 1288 HE22 GLN A 81 -9.597 8.456 -7.335 1.00 0.00 H ATOM 1289 HE21 GLN A 81 -11.144 8.591 -8.247 1.00 0.00 H ATOM 1290 H GLN A 81 -6.823 6.781 -6.088 1.00 0.00 H ATOM 1291 N TYR A 82 -6.577 3.564 -5.551 1.00 0.00 N ATOM 1292 CA TYR A 82 -5.963 2.262 -5.276 1.00 0.00 C ATOM 1293 C TYR A 82 -5.150 2.282 -3.967 1.00 0.00 C ATOM 1294 O TYR A 82 -5.220 1.312 -3.216 1.00 0.00 O ATOM 1295 CB TYR A 82 -5.199 1.718 -6.492 1.00 0.00 C ATOM 1296 CG TYR A 82 -3.701 1.651 -6.314 1.00 0.00 C ATOM 1297 CD1 TYR A 82 -3.101 0.492 -5.783 1.00 0.00 C ATOM 1298 CD2 TYR A 82 -2.923 2.777 -6.618 1.00 0.00 C ATOM 1299 CE1 TYR A 82 -1.710 0.447 -5.575 1.00 0.00 C ATOM 1300 CE2 TYR A 82 -1.534 2.750 -6.387 1.00 0.00 C ATOM 1301 CZ TYR A 82 -0.925 1.574 -5.906 1.00 0.00 C ATOM 1302 OH TYR A 82 0.425 1.524 -5.812 1.00 0.00 O ATOM 1303 HA TYR A 82 -6.762 1.541 -5.105 1.00 0.00 H ATOM 1304 HB3 TYR A 82 -5.412 2.363 -7.344 1.00 0.00 H ATOM 1305 HB2 TYR A 82 -5.562 0.712 -6.700 1.00 0.00 H ATOM 1306 HD2 TYR A 82 -3.391 3.670 -7.032 1.00 0.00 H ATOM 1307 HE2 TYR A 82 -0.931 3.637 -6.580 1.00 0.00 H ATOM 1308 HE1 TYR A 82 -1.243 -0.448 -5.163 1.00 0.00 H ATOM 1309 HD1 TYR A 82 -3.716 -0.372 -5.533 1.00 0.00 H ATOM 1310 HH TYR A 82 0.738 2.235 -5.199 1.00 0.00 H ATOM 1311 H TYR A 82 -6.162 4.186 -6.274 1.00 0.00 H ATOM 1312 N ARG A 83 -4.474 3.391 -3.610 1.00 0.00 N ATOM 1313 CA ARG A 83 -3.819 3.546 -2.292 1.00 0.00 C ATOM 1314 C ARG A 83 -4.822 3.384 -1.137 1.00 0.00 C ATOM 1315 O ARG A 83 -4.513 2.700 -0.167 1.00 0.00 O ATOM 1316 CB ARG A 83 -3.088 4.903 -2.234 1.00 0.00 C ATOM 1317 CG ARG A 83 -2.191 5.111 -0.997 1.00 0.00 C ATOM 1318 CD ARG A 83 -0.850 4.370 -1.064 1.00 0.00 C ATOM 1319 NE ARG A 83 0.098 5.012 -2.000 1.00 0.00 N ATOM 1320 CZ ARG A 83 0.871 4.407 -2.883 1.00 0.00 C ATOM 1321 NH1 ARG A 83 0.864 3.126 -3.102 1.00 0.00 N ATOM 1322 NH2 ARG A 83 1.724 5.080 -3.589 1.00 0.00 N ATOM 1323 HA ARG A 83 -3.083 2.752 -2.171 1.00 0.00 H ATOM 1324 HB2 ARG A 83 -2.463 4.988 -3.123 1.00 0.00 H ATOM 1325 HB3 ARG A 83 -3.840 5.692 -2.243 1.00 0.00 H ATOM 1326 HG2 ARG A 83 -1.989 6.177 -0.896 1.00 0.00 H ATOM 1327 HG3 ARG A 83 -2.733 4.761 -0.118 1.00 0.00 H ATOM 1328 HD2 ARG A 83 -1.030 3.347 -1.394 1.00 0.00 H ATOM 1329 HD3 ARG A 83 -0.406 4.357 -0.069 1.00 0.00 H ATOM 1330 HE ARG A 83 0.163 6.049 -1.958 1.00 0.00 H ATOM 1331 HH12 ARG A 83 1.502 2.717 -3.814 1.00 0.00 H ATOM 1332 HH11 ARG A 83 0.221 2.510 -2.565 1.00 0.00 H ATOM 1333 HH22 ARG A 83 2.327 4.591 -4.281 1.00 0.00 H ATOM 1334 HH21 ARG A 83 1.806 6.109 -3.464 1.00 0.00 H ATOM 1335 H ARG A 83 -4.409 4.174 -4.292 1.00 0.00 H ATOM 1336 N LEU A 84 -6.036 3.930 -1.265 1.00 0.00 N ATOM 1337 CA LEU A 84 -7.116 3.770 -0.280 1.00 0.00 C ATOM 1338 C LEU A 84 -7.614 2.321 -0.170 1.00 0.00 C ATOM 1339 O LEU A 84 -7.839 1.817 0.933 1.00 0.00 O ATOM 1340 CB LEU A 84 -8.267 4.719 -0.662 1.00 0.00 C ATOM 1341 CG LEU A 84 -9.469 4.736 0.307 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -9.076 4.947 1.767 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -10.400 5.891 -0.054 1.00 0.00 C ATOM 1344 HA LEU A 84 -6.724 4.024 0.705 1.00 0.00 H ATOM 1345 HB2 LEU A 84 -7.864 5.731 -0.715 1.00 0.00 H ATOM 1346 HB3 LEU A 84 -8.633 4.423 -1.645 1.00 0.00 H ATOM 1347 HG LEU A 84 -9.940 3.759 0.205 1.00 0.00 H ATOM 1348 HD21 LEU A 84 -9.856 6.832 0.025 1.00 0.00 H ATOM 1349 HD22 LEU A 84 -10.758 5.761 -1.075 1.00 0.00 H ATOM 1350 HD23 LEU A 84 -11.247 5.901 0.631 1.00 0.00 H ATOM 1351 HD11 LEU A 84 -8.414 4.141 2.084 1.00 0.00 H ATOM 1352 HD12 LEU A 84 -8.562 5.903 1.869 1.00 0.00 H ATOM 1353 HD13 LEU A 84 -9.973 4.947 2.387 1.00 0.00 H ATOM 1354 H LEU A 84 -6.228 4.502 -2.112 1.00 0.00 H ATOM 1355 N GLU A 85 -7.765 1.633 -1.301 1.00 0.00 N ATOM 1356 CA GLU A 85 -8.162 0.234 -1.351 1.00 0.00 C ATOM 1357 C GLU A 85 -7.068 -0.672 -0.757 1.00 0.00 C ATOM 1358 O GLU A 85 -7.386 -1.589 -0.003 1.00 0.00 O ATOM 1359 CB GLU A 85 -8.500 -0.089 -2.816 1.00 0.00 C ATOM 1360 CG GLU A 85 -8.885 -1.554 -2.993 1.00 0.00 C ATOM 1361 CD GLU A 85 -9.217 -1.917 -4.445 1.00 0.00 C ATOM 1362 OE1 GLU A 85 -10.016 -1.199 -5.101 1.00 0.00 O ATOM 1363 OE2 GLU A 85 -8.669 -2.929 -4.952 1.00 0.00 O ATOM 1364 HA GLU A 85 -9.043 0.046 -0.737 1.00 0.00 H ATOM 1365 HB2 GLU A 85 -9.334 0.537 -3.133 1.00 0.00 H ATOM 1366 HB3 GLU A 85 -7.630 0.126 -3.436 1.00 0.00 H ATOM 1367 HG2 GLU A 85 -8.052 -2.174 -2.662 1.00 0.00 H ATOM 1368 HG3 GLU A 85 -9.759 -1.761 -2.375 1.00 0.00 H ATOM 1369 H GLU A 85 -7.589 2.125 -2.200 1.00 0.00 H ATOM 1370 N LEU A 86 -5.784 -0.397 -1.018 1.00 0.00 N ATOM 1371 CA LEU A 86 -4.654 -1.199 -0.532 1.00 0.00 C ATOM 1372 C LEU A 86 -4.214 -0.858 0.895 1.00 0.00 C ATOM 1373 O LEU A 86 -3.628 -1.724 1.542 1.00 0.00 O ATOM 1374 CB LEU A 86 -3.469 -1.116 -1.514 1.00 0.00 C ATOM 1375 CG LEU A 86 -3.472 -2.155 -2.650 1.00 0.00 C ATOM 1376 CD1 LEU A 86 -3.199 -3.581 -2.168 1.00 0.00 C ATOM 1377 CD2 LEU A 86 -4.770 -2.177 -3.456 1.00 0.00 C ATOM 1378 HA LEU A 86 -5.012 -2.227 -0.486 1.00 0.00 H ATOM 1379 HB2 LEU A 86 -3.477 -0.124 -1.966 1.00 0.00 H ATOM 1380 HB3 LEU A 86 -2.550 -1.246 -0.943 1.00 0.00 H ATOM 1381 HG LEU A 86 -2.655 -1.823 -3.291 1.00 0.00 H ATOM 1382 HD21 LEU A 86 -5.603 -2.415 -2.794 1.00 0.00 H ATOM 1383 HD22 LEU A 86 -4.932 -1.199 -3.909 1.00 0.00 H ATOM 1384 HD23 LEU A 86 -4.698 -2.933 -4.238 1.00 0.00 H ATOM 1385 HD11 LEU A 86 -2.220 -3.620 -1.689 1.00 0.00 H ATOM 1386 HD12 LEU A 86 -3.967 -3.875 -1.452 1.00 0.00 H ATOM 1387 HD13 LEU A 86 -3.216 -4.261 -3.020 1.00 0.00 H ATOM 1388 H LEU A 86 -5.574 0.437 -1.602 1.00 0.00 H ATOM 1389 N ALA A 87 -4.547 0.320 1.432 1.00 0.00 N ATOM 1390 CA ALA A 87 -4.458 0.585 2.872 1.00 0.00 C ATOM 1391 C ALA A 87 -5.445 -0.305 3.640 1.00 0.00 C ATOM 1392 O ALA A 87 -5.050 -1.056 4.533 1.00 0.00 O ATOM 1393 CB ALA A 87 -4.727 2.074 3.141 1.00 0.00 C ATOM 1394 HA ALA A 87 -3.454 0.347 3.222 1.00 0.00 H ATOM 1395 HB1 ALA A 87 -3.986 2.676 2.615 1.00 0.00 H ATOM 1396 HB2 ALA A 87 -5.725 2.332 2.786 1.00 0.00 H ATOM 1397 HB3 ALA A 87 -4.660 2.266 4.212 1.00 0.00 H ATOM 1398 H ALA A 87 -4.882 1.078 0.804 1.00 0.00 H ATOM 1399 N GLN A 88 -6.711 -0.303 3.207 1.00 0.00 N ATOM 1400 CA GLN A 88 -7.746 -1.223 3.696 1.00 0.00 C ATOM 1401 C GLN A 88 -7.396 -2.694 3.400 1.00 0.00 C ATOM 1402 O GLN A 88 -7.761 -3.579 4.172 1.00 0.00 O ATOM 1403 CB GLN A 88 -9.089 -0.836 3.064 1.00 0.00 C ATOM 1404 CG GLN A 88 -9.602 0.511 3.590 1.00 0.00 C ATOM 1405 CD GLN A 88 -10.853 0.939 2.842 1.00 0.00 C ATOM 1406 OE1 GLN A 88 -11.975 0.727 3.284 1.00 0.00 O ATOM 1407 NE2 GLN A 88 -10.702 1.525 1.680 1.00 0.00 N ATOM 1408 HA GLN A 88 -7.811 -1.135 4.780 1.00 0.00 H ATOM 1409 HB2 GLN A 88 -8.964 -0.768 1.983 1.00 0.00 H ATOM 1410 HB3 GLN A 88 -9.823 -1.608 3.296 1.00 0.00 H ATOM 1411 HG2 GLN A 88 -9.834 0.416 4.651 1.00 0.00 H ATOM 1412 HG3 GLN A 88 -8.828 1.266 3.455 1.00 0.00 H ATOM 1413 HE22 GLN A 88 -9.747 1.703 1.308 1.00 0.00 H ATOM 1414 HE21 GLN A 88 -11.537 1.812 1.130 1.00 0.00 H ATOM 1415 H GLN A 88 -6.978 0.392 2.481 1.00 0.00 H ATOM 1416 N GLY A 89 -6.631 -2.935 2.330 1.00 0.00 N ATOM 1417 CA GLY A 89 -6.087 -4.221 1.895 1.00 0.00 C ATOM 1418 C GLY A 89 -5.057 -4.785 2.875 1.00 0.00 C ATOM 1419 O GLY A 89 -5.221 -5.892 3.382 1.00 0.00 O ATOM 1420 HA3 GLY A 89 -5.610 -4.088 0.924 1.00 0.00 H ATOM 1421 HA2 GLY A 89 -6.907 -4.933 1.801 1.00 0.00 H ATOM 1422 H GLY A 89 -6.396 -2.113 1.739 1.00 0.00 H ATOM 1423 N ALA A 90 -4.020 -3.997 3.166 1.00 0.00 N ATOM 1424 CA ALA A 90 -2.902 -4.338 4.043 1.00 0.00 C ATOM 1425 C ALA A 90 -3.338 -4.528 5.512 1.00 0.00 C ATOM 1426 O ALA A 90 -2.801 -5.397 6.206 1.00 0.00 O ATOM 1427 CB ALA A 90 -1.866 -3.219 3.886 1.00 0.00 C ATOM 1428 HA ALA A 90 -2.476 -5.300 3.758 1.00 0.00 H ATOM 1429 HB1 ALA A 90 -1.544 -3.167 2.846 1.00 0.00 H ATOM 1430 HB2 ALA A 90 -2.313 -2.268 4.177 1.00 0.00 H ATOM 1431 HB3 ALA A 90 -1.007 -3.428 4.524 1.00 0.00 H ATOM 1432 H ALA A 90 -4.006 -3.054 2.728 1.00 0.00 H ATOM 1433 N VAL A 91 -4.344 -3.767 5.974 1.00 0.00 N ATOM 1434 CA VAL A 91 -4.910 -3.938 7.328 1.00 0.00 C ATOM 1435 C VAL A 91 -5.957 -5.062 7.389 1.00 0.00 C ATOM 1436 O VAL A 91 -5.941 -5.866 8.321 1.00 0.00 O ATOM 1437 CB VAL A 91 -5.416 -2.600 7.910 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -6.745 -2.122 7.323 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -5.556 -2.667 9.433 1.00 0.00 C ATOM 1440 HA VAL A 91 -4.097 -4.264 7.977 1.00 0.00 H ATOM 1441 HB VAL A 91 -4.651 -1.877 7.627 1.00 0.00 H ATOM 1442 HG11 VAL A 91 -6.636 -1.982 6.247 1.00 0.00 H ATOM 1443 HG12 VAL A 91 -7.516 -2.868 7.518 1.00 0.00 H ATOM 1444 HG13 VAL A 91 -7.027 -1.177 7.787 1.00 0.00 H ATOM 1445 HG21 VAL A 91 -6.267 -3.449 9.697 1.00 0.00 H ATOM 1446 HG22 VAL A 91 -4.586 -2.891 9.876 1.00 0.00 H ATOM 1447 HG23 VAL A 91 -5.914 -1.708 9.806 1.00 0.00 H ATOM 1448 H VAL A 91 -4.739 -3.030 5.356 1.00 0.00 H ATOM 1449 N GLY A 92 -6.844 -5.174 6.391 1.00 0.00 N ATOM 1450 CA GLY A 92 -8.022 -6.057 6.421 1.00 0.00 C ATOM 1451 C GLY A 92 -7.800 -7.492 5.931 1.00 0.00 C ATOM 1452 O GLY A 92 -8.584 -8.379 6.273 1.00 0.00 O ATOM 1453 HA3 GLY A 92 -8.793 -5.606 5.796 1.00 0.00 H ATOM 1454 HA2 GLY A 92 -8.375 -6.107 7.451 1.00 0.00 H ATOM 1455 H GLY A 92 -6.690 -4.599 5.538 1.00 0.00 H ATOM 1456 N SER A 93 -6.748 -7.753 5.149 1.00 0.00 N ATOM 1457 CA SER A 93 -6.441 -9.107 4.655 1.00 0.00 C ATOM 1458 C SER A 93 -5.864 -10.000 5.757 1.00 0.00 C ATOM 1459 O SER A 93 -5.111 -9.531 6.613 1.00 0.00 O ATOM 1460 CB SER A 93 -5.487 -9.085 3.455 1.00 0.00 C ATOM 1461 OG SER A 93 -6.009 -8.271 2.421 1.00 0.00 O ATOM 1462 HA SER A 93 -7.392 -9.528 4.328 1.00 0.00 H ATOM 1463 HB2 SER A 93 -5.357 -10.101 3.081 1.00 0.00 H ATOM 1464 HB3 SER A 93 -4.522 -8.689 3.771 1.00 0.00 H ATOM 1465 HG SER A 93 -6.125 -7.347 2.757 1.00 0.00 H ATOM 1466 H SER A 93 -6.121 -6.969 4.878 1.00 0.00 H ATOM 1467 N VAL A 94 -6.186 -11.293 5.703 1.00 0.00 N ATOM 1468 CA VAL A 94 -5.663 -12.348 6.600 1.00 0.00 C ATOM 1469 C VAL A 94 -5.120 -13.572 5.843 1.00 0.00 C ATOM 1470 O VAL A 94 -4.541 -14.475 6.449 1.00 0.00 O ATOM 1471 CB VAL A 94 -6.711 -12.771 7.651 1.00 0.00 C ATOM 1472 CG1 VAL A 94 -7.099 -11.606 8.570 1.00 0.00 C ATOM 1473 CG2 VAL A 94 -7.982 -13.350 7.024 1.00 0.00 C ATOM 1474 HA VAL A 94 -4.815 -11.902 7.120 1.00 0.00 H ATOM 1475 HB VAL A 94 -6.229 -13.553 8.237 1.00 0.00 H ATOM 1476 HG11 VAL A 94 -6.213 -11.248 9.094 1.00 0.00 H ATOM 1477 HG12 VAL A 94 -7.520 -10.798 7.972 1.00 0.00 H ATOM 1478 HG13 VAL A 94 -7.838 -11.947 9.294 1.00 0.00 H ATOM 1479 HG21 VAL A 94 -8.441 -12.601 6.379 1.00 0.00 H ATOM 1480 HG22 VAL A 94 -7.726 -14.231 6.435 1.00 0.00 H ATOM 1481 HG23 VAL A 94 -8.680 -13.629 7.813 1.00 0.00 H ATOM 1482 H VAL A 94 -6.862 -11.585 4.968 1.00 0.00 H ATOM 1483 N GLN A 95 -5.300 -13.618 4.517 1.00 0.00 N ATOM 1484 CA GLN A 95 -4.817 -14.627 3.558 1.00 0.00 C ATOM 1485 C GLN A 95 -5.367 -16.060 3.718 1.00 0.00 C ATOM 1486 O GLN A 95 -5.193 -16.879 2.815 1.00 0.00 O ATOM 1487 CB GLN A 95 -3.285 -14.470 3.408 1.00 0.00 C ATOM 1488 CG GLN A 95 -2.593 -15.345 2.347 1.00 0.00 C ATOM 1489 CD GLN A 95 -2.165 -16.731 2.833 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.196 -17.069 4.014 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -1.689 -17.571 1.946 1.00 0.00 N ATOM 1492 HA GLN A 95 -5.268 -14.417 2.588 1.00 0.00 H ATOM 1493 HB2 GLN A 95 -3.084 -13.428 3.158 1.00 0.00 H ATOM 1494 HB3 GLN A 95 -2.834 -14.704 4.372 1.00 0.00 H ATOM 1495 HG2 GLN A 95 -3.283 -15.477 1.514 1.00 0.00 H ATOM 1496 HG3 GLN A 95 -1.704 -14.818 2.001 1.00 0.00 H ATOM 1497 HE22 GLN A 95 -1.655 -17.303 0.942 1.00 0.00 H ATOM 1498 HE21 GLN A 95 -1.346 -18.506 2.247 1.00 0.00 H ATOM 1499 H GLN A 95 -5.854 -12.838 4.110 1.00 0.00 H ATOM 1500 N ILE A 96 -6.134 -16.347 4.772 1.00 0.00 N ATOM 1501 CA ILE A 96 -6.853 -17.622 4.951 1.00 0.00 C ATOM 1502 C ILE A 96 -8.191 -17.592 4.173 1.00 0.00 C ATOM 1503 O ILE A 96 -9.065 -16.794 4.527 1.00 0.00 O ATOM 1504 CB ILE A 96 -7.091 -17.968 6.446 1.00 0.00 C ATOM 1505 CG1 ILE A 96 -5.904 -17.575 7.358 1.00 0.00 C ATOM 1506 CG2 ILE A 96 -7.405 -19.476 6.548 1.00 0.00 C ATOM 1507 CD1 ILE A 96 -6.011 -18.050 8.813 1.00 0.00 C ATOM 1508 HA ILE A 96 -6.220 -18.412 4.546 1.00 0.00 H ATOM 1509 HB ILE A 96 -7.934 -17.380 6.808 1.00 0.00 H ATOM 1510 HG12 ILE A 96 -4.995 -17.999 6.931 1.00 0.00 H ATOM 1511 HG13 ILE A 96 -5.828 -16.488 7.363 1.00 0.00 H ATOM 1512 HD11 ILE A 96 -6.906 -17.625 9.268 1.00 0.00 H ATOM 1513 HD12 ILE A 96 -6.072 -19.138 8.835 1.00 0.00 H ATOM 1514 HD13 ILE A 96 -5.131 -17.723 9.366 1.00 0.00 H ATOM 1515 HG21 ILE A 96 -8.298 -19.700 5.964 1.00 0.00 H ATOM 1516 HG22 ILE A 96 -6.562 -20.048 6.160 1.00 0.00 H ATOM 1517 HG23 ILE A 96 -7.576 -19.740 7.592 1.00 0.00 H ATOM 1518 H ILE A 96 -6.231 -15.625 5.515 1.00 0.00 H ATOM 1519 N PRO A 97 -8.401 -18.448 3.148 1.00 0.00 N ATOM 1520 CA PRO A 97 -9.674 -18.549 2.417 1.00 0.00 C ATOM 1521 C PRO A 97 -10.704 -19.475 3.093 1.00 0.00 C ATOM 1522 O PRO A 97 -11.885 -19.425 2.760 1.00 0.00 O ATOM 1523 CB PRO A 97 -9.280 -19.084 1.039 1.00 0.00 C ATOM 1524 CG PRO A 97 -8.118 -20.019 1.366 1.00 0.00 C ATOM 1525 CD PRO A 97 -7.401 -19.293 2.506 1.00 0.00 C ATOM 1526 HA PRO A 97 -10.173 -17.581 2.379 1.00 0.00 H ATOM 1527 HD3 PRO A 97 -7.001 -20.013 3.220 1.00 0.00 H ATOM 1528 HD2 PRO A 97 -6.588 -18.683 2.113 1.00 0.00 H ATOM 1529 HG3 PRO A 97 -7.461 -20.143 0.505 1.00 0.00 H ATOM 1530 HG2 PRO A 97 -8.479 -20.995 1.689 1.00 0.00 H ATOM 1531 HB2 PRO A 97 -10.104 -19.627 0.577 1.00 0.00 H ATOM 1532 HB3 PRO A 97 -8.963 -18.277 0.379 1.00 0.00 H ATOM 1533 N VAL A 98 -10.268 -20.316 4.043 1.00 0.00 N ATOM 1534 CA VAL A 98 -11.101 -21.242 4.849 1.00 0.00 C ATOM 1535 C VAL A 98 -11.848 -22.321 4.030 1.00 0.00 C ATOM 1536 O VAL A 98 -12.791 -22.962 4.507 1.00 0.00 O ATOM 1537 CB VAL A 98 -12.013 -20.471 5.845 1.00 0.00 C ATOM 1538 CG1 VAL A 98 -12.313 -21.276 7.116 1.00 0.00 C ATOM 1539 CG2 VAL A 98 -11.415 -19.144 6.348 1.00 0.00 C ATOM 1540 HA VAL A 98 -10.400 -21.825 5.446 1.00 0.00 H ATOM 1541 HB VAL A 98 -12.910 -20.288 5.253 1.00 0.00 H ATOM 1542 HG11 VAL A 98 -12.820 -22.203 6.846 1.00 0.00 H ATOM 1543 HG12 VAL A 98 -11.378 -21.507 7.627 1.00 0.00 H ATOM 1544 HG13 VAL A 98 -12.953 -20.688 7.774 1.00 0.00 H ATOM 1545 HG21 VAL A 98 -10.474 -19.342 6.862 1.00 0.00 H ATOM 1546 HG22 VAL A 98 -11.235 -18.483 5.500 1.00 0.00 H ATOM 1547 HG23 VAL A 98 -12.114 -18.670 7.037 1.00 0.00 H ATOM 1548 H VAL A 98 -9.246 -20.319 4.233 1.00 0.00 H ATOM 1549 N VAL A 99 -11.403 -22.556 2.793 1.00 0.00 N ATOM 1550 CA VAL A 99 -11.934 -23.514 1.809 1.00 0.00 C ATOM 1551 C VAL A 99 -10.800 -23.999 0.902 1.00 0.00 C ATOM 1552 O VAL A 99 -9.815 -23.284 0.700 1.00 0.00 O ATOM 1553 CB VAL A 99 -13.063 -22.915 0.933 1.00 0.00 C ATOM 1554 CG1 VAL A 99 -14.286 -22.483 1.752 1.00 0.00 C ATOM 1555 CG2 VAL A 99 -12.618 -21.727 0.070 1.00 0.00 C ATOM 1556 HA VAL A 99 -12.363 -24.343 2.372 1.00 0.00 H ATOM 1557 HB VAL A 99 -13.335 -23.738 0.273 1.00 0.00 H ATOM 1558 HG11 VAL A 99 -14.694 -23.347 2.277 1.00 0.00 H ATOM 1559 HG12 VAL A 99 -13.988 -21.724 2.476 1.00 0.00 H ATOM 1560 HG13 VAL A 99 -15.042 -22.072 1.084 1.00 0.00 H ATOM 1561 HG21 VAL A 99 -12.252 -20.928 0.715 1.00 0.00 H ATOM 1562 HG22 VAL A 99 -11.822 -22.046 -0.603 1.00 0.00 H ATOM 1563 HG23 VAL A 99 -13.465 -21.365 -0.513 1.00 0.00 H ATOM 1564 H VAL A 99 -10.582 -21.995 2.488 1.00 0.00 H ATOM 1565 N GLU A 100 -10.969 -25.184 0.312 1.00 0.00 N ATOM 1566 CA GLU A 100 -10.070 -25.768 -0.698 1.00 0.00 C ATOM 1567 C GLU A 100 -8.584 -25.854 -0.248 1.00 0.00 C ATOM 1568 O GLU A 100 -8.327 -25.955 0.957 1.00 0.00 O ATOM 1569 CB GLU A 100 -10.309 -25.067 -2.056 1.00 0.00 C ATOM 1570 CG GLU A 100 -11.765 -25.108 -2.558 1.00 0.00 C ATOM 1571 CD GLU A 100 -12.281 -26.540 -2.746 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -11.860 -27.228 -3.708 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -13.077 -27.034 -1.909 1.00 0.00 O ATOM 1574 HA GLU A 100 -10.323 -26.820 -0.827 1.00 0.00 H ATOM 1575 HB2 GLU A 100 -10.014 -24.022 -1.955 1.00 0.00 H ATOM 1576 HB3 GLU A 100 -9.679 -25.550 -2.803 1.00 0.00 H ATOM 1577 HG2 GLU A 100 -12.400 -24.600 -1.832 1.00 0.00 H ATOM 1578 HG3 GLU A 100 -11.820 -24.588 -3.514 1.00 0.00 H ATOM 1579 H GLU A 100 -11.803 -25.740 0.588 1.00 0.00 H ATOM 1580 N VAL A 101 -7.618 -25.915 -1.183 1.00 0.00 N ATOM 1581 CA VAL A 101 -6.159 -25.982 -0.907 1.00 0.00 C ATOM 1582 C VAL A 101 -5.302 -25.120 -1.864 1.00 0.00 C ATOM 1583 O VAL A 101 -4.097 -25.351 -2.016 1.00 0.00 O ATOM 1584 CB VAL A 101 -5.638 -27.442 -0.849 1.00 0.00 C ATOM 1585 CG1 VAL A 101 -6.265 -28.259 0.288 1.00 0.00 C ATOM 1586 CG2 VAL A 101 -5.850 -28.211 -2.159 1.00 0.00 C ATOM 1587 HA VAL A 101 -6.040 -25.544 0.084 1.00 0.00 H ATOM 1588 HB VAL A 101 -4.569 -27.330 -0.667 1.00 0.00 H ATOM 1589 HG11 VAL A 101 -6.034 -27.787 1.243 1.00 0.00 H ATOM 1590 HG12 VAL A 101 -7.346 -28.298 0.152 1.00 0.00 H ATOM 1591 HG13 VAL A 101 -5.859 -29.270 0.274 1.00 0.00 H ATOM 1592 HG21 VAL A 101 -6.915 -28.249 -2.388 1.00 0.00 H ATOM 1593 HG22 VAL A 101 -5.322 -27.704 -2.966 1.00 0.00 H ATOM 1594 HG23 VAL A 101 -5.464 -29.224 -2.051 1.00 0.00 H ATOM 1595 H VAL A 101 -7.916 -25.915 -2.179 1.00 0.00 H ATOM 1596 N ASP A 102 -5.901 -24.116 -2.515 1.00 0.00 N ATOM 1597 CA ASP A 102 -5.295 -23.324 -3.602 1.00 0.00 C ATOM 1598 C ASP A 102 -4.100 -22.474 -3.135 1.00 0.00 C ATOM 1599 O ASP A 102 -3.076 -22.425 -3.818 1.00 0.00 O ATOM 1600 CB ASP A 102 -6.389 -22.443 -4.239 1.00 0.00 C ATOM 1601 CG ASP A 102 -5.882 -21.505 -5.345 1.00 0.00 C ATOM 1602 OD1 ASP A 102 -6.152 -20.281 -5.269 1.00 0.00 O ATOM 1603 OD2 ASP A 102 -5.243 -21.982 -6.313 1.00 0.00 O ATOM 1604 HA ASP A 102 -4.890 -24.015 -4.341 1.00 0.00 H ATOM 1605 HB2 ASP A 102 -7.148 -23.097 -4.668 1.00 0.00 H ATOM 1606 HB3 ASP A 102 -6.837 -21.834 -3.454 1.00 0.00 H ATOM 1607 H ASP A 102 -6.872 -23.875 -2.232 1.00 0.00 H ATOM 1608 N GLU A 103 -4.187 -21.844 -1.963 1.00 0.00 N ATOM 1609 CA GLU A 103 -3.089 -21.051 -1.382 1.00 0.00 C ATOM 1610 C GLU A 103 -2.829 -21.446 0.077 1.00 0.00 C ATOM 1611 O GLU A 103 -1.882 -22.192 0.336 1.00 0.00 O ATOM 1612 CB GLU A 103 -3.344 -19.540 -1.573 1.00 0.00 C ATOM 1613 CG GLU A 103 -3.007 -19.096 -3.006 1.00 0.00 C ATOM 1614 CD GLU A 103 -3.226 -17.594 -3.212 1.00 0.00 C ATOM 1615 OE1 GLU A 103 -2.246 -16.812 -3.114 1.00 0.00 O ATOM 1616 OE2 GLU A 103 -4.387 -17.197 -3.490 1.00 0.00 O ATOM 1617 HA GLU A 103 -2.169 -21.278 -1.920 1.00 0.00 H ATOM 1618 HB2 GLU A 103 -4.394 -19.328 -1.373 1.00 0.00 H ATOM 1619 HB3 GLU A 103 -2.722 -18.983 -0.872 1.00 0.00 H ATOM 1620 HG2 GLU A 103 -1.962 -19.330 -3.210 1.00 0.00 H ATOM 1621 HG3 GLU A 103 -3.643 -19.643 -3.702 1.00 0.00 H ATOM 1622 H GLU A 103 -5.077 -21.916 -1.430 1.00 0.00 H ATOM 1623 N LEU A 104 -3.710 -21.022 0.995 1.00 0.00 N ATOM 1624 CA LEU A 104 -3.641 -21.218 2.457 1.00 0.00 C ATOM 1625 C LEU A 104 -2.405 -20.584 3.153 1.00 0.00 C ATOM 1626 O LEU A 104 -1.364 -20.369 2.522 1.00 0.00 O ATOM 1627 CB LEU A 104 -3.750 -22.722 2.814 1.00 0.00 C ATOM 1628 CG LEU A 104 -4.952 -23.500 2.245 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -4.825 -24.974 2.631 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.279 -22.969 2.781 1.00 0.00 C ATOM 1631 HA LEU A 104 -4.499 -20.674 2.851 1.00 0.00 H ATOM 1632 HB2 LEU A 104 -2.844 -23.210 2.454 1.00 0.00 H ATOM 1633 HB3 LEU A 104 -3.795 -22.798 3.900 1.00 0.00 H ATOM 1634 HG LEU A 104 -4.945 -23.376 1.162 1.00 0.00 H ATOM 1635 HD21 LEU A 104 -6.294 -23.062 3.867 1.00 0.00 H ATOM 1636 HD22 LEU A 104 -6.388 -21.921 2.504 1.00 0.00 H ATOM 1637 HD23 LEU A 104 -7.099 -23.546 2.354 1.00 0.00 H ATOM 1638 HD11 LEU A 104 -3.900 -25.377 2.220 1.00 0.00 H ATOM 1639 HD12 LEU A 104 -4.811 -25.064 3.717 1.00 0.00 H ATOM 1640 HD13 LEU A 104 -5.674 -25.528 2.230 1.00 0.00 H ATOM 1641 H LEU A 104 -4.533 -20.497 0.637 1.00 0.00 H ATOM 1642 N PRO A 105 -2.462 -20.324 4.472 1.00 0.00 N ATOM 1643 CA PRO A 105 -1.267 -20.290 5.320 1.00 0.00 C ATOM 1644 C PRO A 105 -0.565 -21.660 5.363 1.00 0.00 C ATOM 1645 O PRO A 105 -1.106 -22.672 4.910 1.00 0.00 O ATOM 1646 CB PRO A 105 -1.770 -19.873 6.706 1.00 0.00 C ATOM 1647 CG PRO A 105 -3.191 -20.429 6.732 1.00 0.00 C ATOM 1648 CD PRO A 105 -3.655 -20.199 5.294 1.00 0.00 C ATOM 1649 HA PRO A 105 -0.521 -19.595 4.936 1.00 0.00 H ATOM 1650 HD3 PRO A 105 -4.394 -20.947 5.008 1.00 0.00 H ATOM 1651 HD2 PRO A 105 -4.088 -19.204 5.188 1.00 0.00 H ATOM 1652 HG3 PRO A 105 -3.815 -19.885 7.441 1.00 0.00 H ATOM 1653 HG2 PRO A 105 -3.196 -21.489 6.984 1.00 0.00 H ATOM 1654 HB2 PRO A 105 -1.161 -20.315 7.494 1.00 0.00 H ATOM 1655 HB3 PRO A 105 -1.770 -18.788 6.814 1.00 0.00 H ATOM 1656 N GLU A 106 0.652 -21.712 5.907 1.00 0.00 N ATOM 1657 CA GLU A 106 1.456 -22.938 5.961 1.00 0.00 C ATOM 1658 C GLU A 106 0.855 -23.996 6.907 1.00 0.00 C ATOM 1659 O GLU A 106 0.393 -23.674 8.008 1.00 0.00 O ATOM 1660 CB GLU A 106 2.902 -22.587 6.332 1.00 0.00 C ATOM 1661 CG GLU A 106 3.845 -23.769 6.097 1.00 0.00 C ATOM 1662 CD GLU A 106 5.296 -23.318 6.198 1.00 0.00 C ATOM 1663 OE1 GLU A 106 5.846 -23.298 7.329 1.00 0.00 O ATOM 1664 OE2 GLU A 106 5.887 -22.963 5.149 1.00 0.00 O ATOM 1665 HA GLU A 106 1.450 -23.395 4.971 1.00 0.00 H ATOM 1666 HB2 GLU A 106 3.230 -21.745 5.722 1.00 0.00 H ATOM 1667 HB3 GLU A 106 2.940 -22.307 7.385 1.00 0.00 H ATOM 1668 HG2 GLU A 106 3.654 -24.536 6.847 1.00 0.00 H ATOM 1669 HG3 GLU A 106 3.665 -24.181 5.104 1.00 0.00 H ATOM 1670 H GLU A 106 1.050 -20.841 6.313 1.00 0.00 H ATOM 1671 N GLY A 107 0.867 -25.266 6.488 1.00 0.00 N ATOM 1672 CA GLY A 107 0.090 -26.334 7.115 1.00 0.00 C ATOM 1673 C GLY A 107 -1.401 -26.206 6.791 1.00 0.00 C ATOM 1674 O GLY A 107 -1.800 -26.330 5.628 1.00 0.00 O ATOM 1675 HA3 GLY A 107 0.224 -26.283 8.196 1.00 0.00 H ATOM 1676 HA2 GLY A 107 0.451 -27.296 6.751 1.00 0.00 H ATOM 1677 H GLY A 107 1.462 -25.507 5.670 1.00 0.00 H ATOM 1678 N TYR A 108 -2.207 -25.923 7.815 1.00 0.00 N ATOM 1679 CA TYR A 108 -3.670 -25.798 7.809 1.00 0.00 C ATOM 1680 C TYR A 108 -4.442 -27.067 7.402 1.00 0.00 C ATOM 1681 O TYR A 108 -5.093 -27.673 8.249 1.00 0.00 O ATOM 1682 CB TYR A 108 -4.083 -24.529 7.046 1.00 0.00 C ATOM 1683 CG TYR A 108 -5.503 -24.055 7.308 1.00 0.00 C ATOM 1684 CD1 TYR A 108 -5.789 -23.319 8.475 1.00 0.00 C ATOM 1685 CD2 TYR A 108 -6.526 -24.312 6.374 1.00 0.00 C ATOM 1686 CE1 TYR A 108 -7.091 -22.836 8.711 1.00 0.00 C ATOM 1687 CE2 TYR A 108 -7.826 -23.822 6.600 1.00 0.00 C ATOM 1688 CZ TYR A 108 -8.111 -23.080 7.768 1.00 0.00 C ATOM 1689 OH TYR A 108 -9.366 -22.606 7.968 1.00 0.00 O ATOM 1690 HA TYR A 108 -3.981 -25.683 8.847 1.00 0.00 H ATOM 1691 HB3 TYR A 108 -3.984 -24.729 5.979 1.00 0.00 H ATOM 1692 HB2 TYR A 108 -3.401 -23.727 7.329 1.00 0.00 H ATOM 1693 HD2 TYR A 108 -6.311 -24.891 5.476 1.00 0.00 H ATOM 1694 HE2 TYR A 108 -8.614 -24.015 5.873 1.00 0.00 H ATOM 1695 HE1 TYR A 108 -7.310 -22.275 9.620 1.00 0.00 H ATOM 1696 HD1 TYR A 108 -4.998 -23.122 9.199 1.00 0.00 H ATOM 1697 HH TYR A 108 -9.398 -22.112 8.825 1.00 0.00 H ATOM 1698 H TYR A 108 -1.741 -25.772 8.732 1.00 0.00 H ATOM 1699 N ASP A 109 -4.385 -27.481 6.130 1.00 0.00 N ATOM 1700 CA ASP A 109 -5.227 -28.561 5.575 1.00 0.00 C ATOM 1701 C ASP A 109 -4.491 -29.497 4.591 1.00 0.00 C ATOM 1702 O ASP A 109 -5.113 -30.155 3.752 1.00 0.00 O ATOM 1703 CB ASP A 109 -6.489 -27.936 4.954 1.00 0.00 C ATOM 1704 CG ASP A 109 -7.631 -28.927 4.704 1.00 0.00 C ATOM 1705 OD1 ASP A 109 -8.545 -28.575 3.921 1.00 0.00 O ATOM 1706 OD2 ASP A 109 -7.690 -30.005 5.346 1.00 0.00 O ATOM 1707 HA ASP A 109 -5.507 -29.218 6.398 1.00 0.00 H ATOM 1708 HB2 ASP A 109 -6.852 -27.160 5.628 1.00 0.00 H ATOM 1709 HB3 ASP A 109 -6.213 -27.487 4.000 1.00 0.00 H ATOM 1710 H ASP A 109 -3.707 -27.014 5.494 1.00 0.00 H ATOM 1711 N ARG A 110 -3.155 -29.552 4.661 1.00 0.00 N ATOM 1712 CA ARG A 110 -2.308 -30.395 3.789 1.00 0.00 C ATOM 1713 C ARG A 110 -1.212 -31.174 4.534 1.00 0.00 C ATOM 1714 O ARG A 110 -0.121 -31.385 4.003 1.00 0.00 O ATOM 1715 CB ARG A 110 -1.819 -29.591 2.567 1.00 0.00 C ATOM 1716 CG ARG A 110 -0.953 -28.363 2.908 1.00 0.00 C ATOM 1717 CD ARG A 110 -0.466 -27.635 1.646 1.00 0.00 C ATOM 1718 NE ARG A 110 0.361 -28.511 0.802 1.00 0.00 N ATOM 1719 CZ ARG A 110 1.621 -28.852 0.983 1.00 0.00 C ATOM 1720 NH1 ARG A 110 2.410 -28.244 1.816 1.00 0.00 N ATOM 1721 NH2 ARG A 110 2.109 -29.844 0.311 1.00 0.00 N ATOM 1722 HA ARG A 110 -2.936 -31.197 3.402 1.00 0.00 H ATOM 1723 HB2 ARG A 110 -1.231 -30.257 1.936 1.00 0.00 H ATOM 1724 HB3 ARG A 110 -2.693 -29.247 2.015 1.00 0.00 H ATOM 1725 HG2 ARG A 110 -1.544 -27.671 3.508 1.00 0.00 H ATOM 1726 HG3 ARG A 110 -0.086 -28.691 3.482 1.00 0.00 H ATOM 1727 HD2 ARG A 110 0.125 -26.768 1.943 1.00 0.00 H ATOM 1728 HD3 ARG A 110 -1.331 -27.304 1.072 1.00 0.00 H ATOM 1729 HE ARG A 110 -0.105 -28.909 -0.038 1.00 0.00 H ATOM 1730 HH12 ARG A 110 3.397 -28.555 1.919 1.00 0.00 H ATOM 1731 HH11 ARG A 110 2.055 -27.446 2.380 1.00 0.00 H ATOM 1732 HH22 ARG A 110 3.102 -30.124 0.444 1.00 0.00 H ATOM 1733 HH21 ARG A 110 1.509 -30.362 -0.362 1.00 0.00 H ATOM 1734 H ARG A 110 -2.681 -28.963 5.376 1.00 0.00 H ATOM 1735 N SER A 111 -1.508 -31.582 5.771 1.00 0.00 N ATOM 1736 CA SER A 111 -0.630 -32.355 6.679 1.00 0.00 C ATOM 1737 C SER A 111 -1.406 -33.471 7.376 1.00 0.00 C ATOM 1738 O SER A 111 -2.193 -33.175 8.301 1.00 0.00 O ATOM 1739 CB SER A 111 0.053 -31.446 7.716 1.00 0.00 C ATOM 1740 OG SER A 111 0.508 -30.238 7.125 1.00 0.00 O ATOM 1741 HA SER A 111 0.149 -32.808 6.066 1.00 0.00 H ATOM 1742 OXT SER A 111 -1.244 -34.650 6.985 1.00 0.00 O ATOM 1743 HB2 SER A 111 0.905 -31.974 8.145 1.00 0.00 H ATOM 1744 HB3 SER A 111 -0.661 -31.209 8.505 1.00 0.00 H ATOM 1745 HG SER A 111 0.941 -29.677 7.816 1.00 0.00 H ATOM 1746 H SER A 111 -2.450 -31.331 6.133 1.00 0.00 H TER 1747 SER A 111 HETATM 1748 N MET A 1 -3.182 3.231 -12.186 1.00 0.24 N HETATM 1749 CA MET A 1 -1.863 3.876 -12.059 1.00 0.07 C HETATM 1750 C MET A 1 -1.275 3.514 -10.709 1.00 0.23 C HETATM 1751 O MET A 1 -1.826 3.906 -9.684 1.00 -0.39 O HETATM 1752 N MET A 1 -0.187 2.744 -10.699 1.00 -0.26 N HETATM 1753 CA MET A 1 0.410 2.186 -9.480 1.00 0.13 C HETATM 1754 C MET A 1 1.753 2.842 -9.141 1.00 0.20 C HETATM 1755 O MET A 1 2.509 3.258 -10.020 1.00 -0.39 O HETATM 1756 N MET A 1 2.060 2.911 -7.848 1.00 -0.26 N HETATM 1757 CA MET A 1 3.271 3.511 -7.294 1.00 0.13 C HETATM 1758 C MET A 1 3.628 2.793 -5.990 1.00 0.20 C HETATM 1759 O MET A 1 2.965 3.010 -4.976 1.00 -0.39 O HETATM 1760 N MET A 1 4.700 2.000 -6.006 1.00 -0.26 N HETATM 1761 CA MET A 1 5.279 1.292 -4.849 1.00 0.13 C HETATM 1762 C MET A 1 4.383 0.195 -4.241 1.00 0.20 C HETATM 1763 O MET A 1 3.184 0.359 -4.011 1.00 -0.39 O HETATM 1764 N MET A 1 4.973 -0.977 -3.997 1.00 -0.27 N HETATM 1765 CA MET A 1 4.298 -2.251 -3.698 1.00 0.11 C HETATM 1766 C MET A 1 3.780 -2.364 -2.260 1.00 0.06 C HETATM 1767 O MET A 1 2.552 -2.570 -2.096 1.00 -0.57 O HETATM 1768 OXT MET A 1 4.585 -2.259 -1.308 1.00 -0.57 O HETATM 1769 CB MET A 1 5.231 -3.422 -4.077 1.00 0.04 C HETATM 1770 CG MET A 1 5.484 -3.555 -5.587 1.00 0.04 C HETATM 1771 OD1 MET A 1 6.670 -3.703 -5.998 1.00 -0.57 O HETATM 1772 OD2 MET A 1 4.492 -3.561 -6.360 1.00 -0.57 O HETATM 1773 H MET A 1 4.747 -4.341 -3.748 1.00 0.05 H HETATM 1774 H MET A 1 6.194 -3.235 -3.603 1.00 0.05 H HETATM 1775 H MET A 1 3.396 -2.292 -4.308 1.00 0.07 H HETATM 1776 H MET A 1 5.993 -0.992 -4.020 1.00 0.19 H HETATM 1777 CB MET A 1 5.835 2.311 -3.832 1.00 -0.01 C HETATM 1778 CG1 MET A 1 6.321 1.669 -2.542 1.00 -0.06 C HETATM 1779 H MET A 1 5.493 1.145 -2.064 1.00 0.02 H HETATM 1780 H MET A 1 7.118 0.961 -2.768 1.00 0.02 H HETATM 1781 H MET A 1 6.699 2.442 -1.873 1.00 0.02 H HETATM 1782 CG2 MET A 1 7.036 3.054 -4.431 1.00 -0.06 C HETATM 1783 H MET A 1 7.817 2.336 -4.682 1.00 0.02 H HETATM 1784 H MET A 1 6.723 3.582 -5.332 1.00 0.02 H HETATM 1785 H MET A 1 7.419 3.770 -3.703 1.00 0.02 H HETATM 1786 H MET A 1 5.005 2.980 -3.607 1.00 0.03 H HETATM 1787 H MET A 1 6.120 0.705 -5.218 1.00 0.08 H HETATM 1788 H MET A 1 5.164 1.871 -6.905 1.00 0.19 H HETATM 1789 CB MET A 1 2.992 4.999 -7.033 1.00 -0.00 C HETATM 1790 CG MET A 1 4.131 5.759 -6.337 1.00 0.00 C HETATM 1791 CD MET A 1 3.676 7.178 -5.982 1.00 0.04 C HETATM 1792 OE1 MET A 1 2.876 7.343 -5.033 1.00 -0.57 O HETATM 1793 OE2 MET A 1 4.092 8.137 -6.674 1.00 -0.57 O HETATM 1794 H MET A 1 4.987 5.815 -7.009 1.00 0.04 H HETATM 1795 H MET A 1 4.407 5.232 -5.423 1.00 0.04 H HETATM 1796 H MET A 1 2.129 5.046 -6.368 1.00 0.03 H HETATM 1797 H MET A 1 2.849 5.468 -8.006 1.00 0.03 H HETATM 1798 H MET A 1 4.108 3.415 -7.986 1.00 0.08 H HETATM 1799 H MET A 1 1.393 2.511 -7.188 1.00 0.19 H HETATM 1800 CB MET A 1 0.559 0.656 -9.554 1.00 -0.00 C HETATM 1801 CG MET A 1 -0.757 -0.100 -9.796 1.00 0.00 C HETATM 1802 CD MET A 1 -1.093 -0.181 -11.287 1.00 0.04 C HETATM 1803 OE1 MET A 1 -0.452 -0.989 -12.008 1.00 -0.57 O HETATM 1804 OE2 MET A 1 -1.949 0.592 -11.771 1.00 -0.57 O HETATM 1805 H MET A 1 -1.560 0.436 -9.290 1.00 0.04 H HETATM 1806 H MET A 1 -0.648 -1.114 -9.412 1.00 0.04 H HETATM 1807 H MET A 1 0.945 0.326 -8.590 1.00 0.03 H HETATM 1808 H MET A 1 1.212 0.439 -10.399 1.00 0.03 H HETATM 1809 H MET A 1 -0.285 2.414 -8.672 1.00 0.08 H HETATM 1810 H MET A 1 0.257 2.530 -11.592 1.00 0.19 H HETATM 1811 CB MET A 1 -1.915 5.402 -12.233 1.00 0.02 C HETATM 1812 CG MET A 1 -2.266 5.826 -13.663 1.00 0.00 C HETATM 1813 SD MET A 1 -4.016 5.685 -14.110 1.00 -0.16 S HETATM 1814 CE MET A 1 -3.980 6.490 -15.734 1.00 -0.02 C HETATM 1815 H MET A 1 -3.629 7.516 -15.622 1.00 0.03 H HETATM 1816 H MET A 1 -3.305 5.944 -16.394 1.00 0.03 H HETATM 1817 H MET A 1 -4.984 6.492 -16.159 1.00 0.03 H HETATM 1818 H MET A 1 -1.721 5.157 -14.328 1.00 0.04 H HETATM 1819 H MET A 1 -2.008 6.882 -13.746 1.00 0.04 H HETATM 1820 H MET A 1 -0.926 5.798 -12.001 1.00 0.04 H HETATM 1821 H MET A 1 -2.691 5.787 -11.571 1.00 0.04 H HETATM 1822 H MET A 1 -1.231 3.506 -12.866 1.00 0.11 H HETATM 1823 H MET A 1 -3.080 2.224 -12.061 1.00 0.20 H HETATM 1824 H MET A 1 -3.810 3.601 -11.473 1.00 0.20 H HETATM 1825 H MET A 1 -3.565 3.423 -13.112 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1748 1749 1823 1824 1825 CONECT 1749 1748 1750 1811 1822 CONECT 1750 1749 1751 1752 CONECT 1751 1750 CONECT 1752 1750 1753 1810 CONECT 1753 1752 1754 1800 1809 CONECT 1754 1753 1755 1756 CONECT 1755 1754 CONECT 1756 1754 1757 1799 CONECT 1757 1756 1758 1789 1798 CONECT 1758 1757 1759 1760 CONECT 1759 1758 CONECT 1760 1758 1761 1788 CONECT 1761 1760 1762 1777 1787 CONECT 1762 1761 1763 1764 CONECT 1763 1762 CONECT 1764 1762 1765 1776 CONECT 1765 1764 1766 1769 1775 CONECT 1766 1765 1767 1768 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1765 1770 1773 1774 CONECT 1770 1769 1771 1772 CONECT 1771 1770 CONECT 1772 1770 CONECT 1773 1769 CONECT 1774 1769 CONECT 1775 1765 CONECT 1776 1764 CONECT 1777 1761 1778 1782 1786 CONECT 1778 1777 1779 1780 1781 CONECT 1779 1778 CONECT 1780 1778 CONECT 1781 1778 CONECT 1782 1777 1783 1784 1785 CONECT 1783 1782 CONECT 1784 1782 CONECT 1785 1782 CONECT 1786 1777 CONECT 1787 1761 CONECT 1788 1760 CONECT 1789 1757 1790 1796 1797 CONECT 1790 1789 1791 1794 1795 CONECT 1791 1790 1792 1793 CONECT 1792 1791 CONECT 1793 1791 CONECT 1794 1790 CONECT 1795 1790 CONECT 1796 1789 CONECT 1797 1789 CONECT 1798 1757 CONECT 1799 1756 CONECT 1800 1753 1801 1807 1808 CONECT 1801 1800 1802 1805 1806 CONECT 1802 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1801 CONECT 1806 1801 CONECT 1807 1800 CONECT 1808 1800 CONECT 1809 1753 CONECT 1810 1752 CONECT 1811 1749 1812 1820 1821 CONECT 1812 1811 1813 1818 1819 CONECT 1813 1812 1814 CONECT 1814 1813 1815 1816 1817 CONECT 1815 1814 CONECT 1816 1814 CONECT 1817 1814 CONECT 1818 1812 CONECT 1819 1812 CONECT 1820 1811 CONECT 1821 1811 CONECT 1822 1749 CONECT 1823 1748 CONECT 1824 1748 CONECT 1825 1748 MASTER 0 0 0 0 0 0 0 0 1824 1 82 9 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: 2l6j
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2lsv
RCSB PDB
PDBbind
110aa, >2LSV_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
2l6j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TPR repeat-containing protein associated with Hsp90
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.55uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem. Vol. 287: pp. 5698-5709
Ligand Properties
Formula
C
2
4
H
4
0
N
5
O
1
2
S
Molecular Weight
622.666
Exact Mass
622.239
No. of atoms
82
No. of bonds
81
Polar Surface Area
318.54
LOGP Value
0.91 (
Computed with XLOGP3
)
-1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 0
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)C(C)C)CCC(=O)O)CCC(=O)O)[NH3+]
InChI String
InChI=1S/C24H39N5O12S/c1-11(2)19(23(39)28-15(24(40)41)10-18(34)35)29-22(38)14(5-7-17(32)33)27-21(37)13(4-6-16(30)31)26-20(36)12(25)8-9-42-3/h11-15,19H,4-10,25H2,1-3H3,(H,26,36)(H,27,37)(H,28,39)(H,29,38)(H,30,31)(H,32,33)(H,34,35)(H,40,41)/p+1/t12-,13-,14-,15-,19-/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):
P25638
P08238
Entrez Gene ID
NCBI Entrez Gene ID:
850424
3326
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