Browse entries in the PDBbind-CN Database
HEADER 2N27_COMPLEX COMPND 2N27_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 A 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 A 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 A 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 A 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 A 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 A 148 MET MET THR ALA LYS HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET UNN A 153 51 ATOM 1 N ALA A 1 7.445 9.272 -18.428 1.00 0.00 N ATOM 2 CA ALA A 1 8.451 10.105 -17.709 1.00 0.00 C ATOM 3 C ALA A 1 7.878 10.545 -16.365 1.00 0.00 C ATOM 4 O ALA A 1 8.608 10.669 -15.381 1.00 0.00 O ATOM 5 CB ALA A 1 8.793 11.332 -18.559 1.00 0.00 C ATOM 6 HN3 ALA A 1 6.582 9.831 -18.584 1.00 0.00 H ATOM 7 HN2 ALA A 1 7.218 8.434 -17.856 1.00 0.00 H ATOM 8 HN1 ALA A 1 7.836 8.972 -19.344 1.00 0.00 H ATOM 9 N ASP A 2 6.568 10.778 -16.330 1.00 0.00 N ATOM 10 CA ASP A 2 5.901 11.206 -15.100 1.00 0.00 C ATOM 11 C ASP A 2 5.452 9.995 -14.287 1.00 0.00 C ATOM 12 O ASP A 2 4.631 9.200 -14.742 1.00 0.00 O ATOM 13 CB ASP A 2 4.684 12.069 -15.440 1.00 0.00 C ATOM 14 CG ASP A 2 4.208 12.815 -14.197 1.00 0.00 C ATOM 15 OD1 ASP A 2 4.815 12.637 -13.154 1.00 0.00 O ATOM 16 OD2 ASP A 2 3.243 13.553 -14.308 1.00 0.00 O ATOM 17 H ASP A 2 6.006 10.653 -17.196 1.00 0.00 H ATOM 18 N GLN A 3 6.002 9.858 -13.085 1.00 0.00 N ATOM 19 CA GLN A 3 5.660 8.740 -12.213 1.00 0.00 C ATOM 20 C GLN A 3 4.371 9.029 -11.450 1.00 0.00 C ATOM 21 O GLN A 3 3.566 8.129 -11.213 1.00 0.00 O ATOM 22 CB GLN A 3 6.798 8.496 -11.225 1.00 0.00 C ATOM 23 CG GLN A 3 8.043 8.049 -11.991 1.00 0.00 C ATOM 24 CD GLN A 3 9.215 7.893 -11.031 1.00 0.00 C ATOM 25 OE1 GLN A 3 9.046 8.013 -9.817 1.00 0.00 O ATOM 26 NE2 GLN A 3 10.403 7.642 -11.506 1.00 0.00 N ATOM 27 HE22 GLN A 3 10.542 7.541 -12.532 1.00 0.00 H ATOM 28 HE21 GLN A 3 11.211 7.543 -10.859 1.00 0.00 H ATOM 29 H GLN A 3 6.692 10.564 -12.759 1.00 0.00 H ATOM 30 N LEU A 4 4.184 10.294 -11.064 1.00 0.00 N ATOM 31 CA LEU A 4 2.986 10.699 -10.323 1.00 0.00 C ATOM 32 C LEU A 4 1.976 11.334 -11.267 1.00 0.00 C ATOM 33 O LEU A 4 2.275 12.314 -11.948 1.00 0.00 O ATOM 34 CB LEU A 4 3.360 11.704 -9.223 1.00 0.00 C ATOM 35 CG LEU A 4 2.138 12.025 -8.347 1.00 0.00 C ATOM 36 CD1 LEU A 4 1.655 10.760 -7.609 1.00 0.00 C ATOM 37 CD2 LEU A 4 2.529 13.099 -7.327 1.00 0.00 C ATOM 38 H LEU A 4 4.905 11.008 -11.294 1.00 0.00 H ATOM 39 N THR A 5 0.775 10.763 -11.301 1.00 0.00 N ATOM 40 CA THR A 5 -0.295 11.268 -12.162 1.00 0.00 C ATOM 41 C THR A 5 -1.623 11.266 -11.413 1.00 0.00 C ATOM 42 O THR A 5 -1.791 10.546 -10.430 1.00 0.00 O ATOM 43 CB THR A 5 -0.415 10.392 -13.412 1.00 0.00 C ATOM 44 OG1 THR A 5 -1.157 9.221 -13.097 1.00 0.00 O ATOM 45 CG2 THR A 5 0.978 9.998 -13.903 1.00 0.00 C ATOM 46 HG1 THR A 5 -2.060 9.478 -12.784 1.00 0.00 H ATOM 47 H THR A 5 0.591 9.935 -10.699 1.00 0.00 H ATOM 48 N GLU A 6 -2.562 12.075 -11.890 1.00 0.00 N ATOM 49 CA GLU A 6 -3.879 12.161 -11.266 1.00 0.00 C ATOM 50 C GLU A 6 -4.650 10.857 -11.454 1.00 0.00 C ATOM 51 O GLU A 6 -5.435 10.460 -10.593 1.00 0.00 O ATOM 52 CB GLU A 6 -4.673 13.318 -11.880 1.00 0.00 C ATOM 53 CG GLU A 6 -6.022 13.460 -11.168 1.00 0.00 C ATOM 54 CD GLU A 6 -6.797 14.640 -11.746 1.00 0.00 C ATOM 55 OE1 GLU A 6 -6.192 15.433 -12.448 1.00 0.00 O ATOM 56 OE2 GLU A 6 -7.982 14.736 -11.473 1.00 0.00 O ATOM 57 H GLU A 6 -2.355 12.659 -12.725 1.00 0.00 H ATOM 58 N GLU A 7 -4.431 10.200 -12.590 1.00 0.00 N ATOM 59 CA GLU A 7 -5.128 8.950 -12.878 1.00 0.00 C ATOM 60 C GLU A 7 -4.940 7.951 -11.743 1.00 0.00 C ATOM 61 O GLU A 7 -5.892 7.293 -11.324 1.00 0.00 O ATOM 62 CB GLU A 7 -4.603 8.333 -14.176 1.00 0.00 C ATOM 63 CG GLU A 7 -5.012 9.204 -15.365 1.00 0.00 C ATOM 64 CD GLU A 7 -4.490 8.588 -16.658 1.00 0.00 C ATOM 65 OE1 GLU A 7 -3.960 7.491 -16.596 1.00 0.00 O ATOM 66 OE2 GLU A 7 -4.627 9.221 -17.692 1.00 0.00 O ATOM 67 H GLU A 7 -3.755 10.582 -13.282 1.00 0.00 H ATOM 68 N GLN A 8 -3.714 7.838 -11.251 1.00 0.00 N ATOM 69 CA GLN A 8 -3.429 6.907 -10.168 1.00 0.00 C ATOM 70 C GLN A 8 -4.301 7.212 -8.954 1.00 0.00 C ATOM 71 O GLN A 8 -4.823 6.303 -8.311 1.00 0.00 O ATOM 72 CB GLN A 8 -1.956 7.002 -9.772 1.00 0.00 C ATOM 73 CG GLN A 8 -1.084 6.457 -10.903 1.00 0.00 C ATOM 74 CD GLN A 8 0.387 6.618 -10.545 1.00 0.00 C ATOM 75 OE1 GLN A 8 0.883 7.740 -10.442 1.00 0.00 O ATOM 76 NE2 GLN A 8 1.118 5.557 -10.335 1.00 0.00 N ATOM 77 HE22 GLN A 8 0.697 4.610 -10.422 1.00 0.00 H ATOM 78 HE21 GLN A 8 2.121 5.659 -10.080 1.00 0.00 H ATOM 79 H GLN A 8 -2.947 8.421 -11.643 1.00 0.00 H ATOM 80 N ILE A 9 -4.453 8.495 -8.643 1.00 0.00 N ATOM 81 CA ILE A 9 -5.266 8.903 -7.501 1.00 0.00 C ATOM 82 C ILE A 9 -6.732 8.536 -7.727 1.00 0.00 C ATOM 83 O ILE A 9 -7.408 8.056 -6.817 1.00 0.00 O ATOM 84 CB ILE A 9 -5.135 10.414 -7.280 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.705 10.735 -6.840 1.00 0.00 C ATOM 86 CG2 ILE A 9 -6.110 10.863 -6.185 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.489 12.249 -6.864 1.00 0.00 C ATOM 88 H ILE A 9 -3.985 9.221 -9.223 1.00 0.00 H ATOM 89 N ALA A 10 -7.217 8.783 -8.939 1.00 0.00 N ATOM 90 CA ALA A 10 -8.608 8.497 -9.273 1.00 0.00 C ATOM 91 C ALA A 10 -8.959 7.042 -8.981 1.00 0.00 C ATOM 92 O ALA A 10 -10.108 6.725 -8.677 1.00 0.00 O ATOM 93 CB ALA A 10 -8.857 8.783 -10.756 1.00 0.00 C ATOM 94 H ALA A 10 -6.592 9.189 -9.665 1.00 0.00 H ATOM 95 N GLU A 11 -7.976 6.160 -9.082 1.00 0.00 N ATOM 96 CA GLU A 11 -8.221 4.744 -8.834 1.00 0.00 C ATOM 97 C GLU A 11 -8.852 4.543 -7.460 1.00 0.00 C ATOM 98 O GLU A 11 -9.847 3.831 -7.322 1.00 0.00 O ATOM 99 CB GLU A 11 -6.908 3.965 -8.908 1.00 0.00 C ATOM 100 CG GLU A 11 -6.362 4.011 -10.336 1.00 0.00 C ATOM 101 CD GLU A 11 -5.011 3.308 -10.399 1.00 0.00 C ATOM 102 OE1 GLU A 11 -4.536 2.887 -9.356 1.00 0.00 O ATOM 103 OE2 GLU A 11 -4.475 3.190 -11.488 1.00 0.00 O ATOM 104 H GLU A 11 -7.021 6.480 -9.340 1.00 0.00 H ATOM 105 N PHE A 12 -8.266 5.171 -6.446 1.00 0.00 N ATOM 106 CA PHE A 12 -8.781 5.050 -5.087 1.00 0.00 C ATOM 107 C PHE A 12 -10.164 5.682 -4.972 1.00 0.00 C ATOM 108 O PHE A 12 -11.050 5.144 -4.307 1.00 0.00 O ATOM 109 CB PHE A 12 -7.828 5.729 -4.101 1.00 0.00 C ATOM 110 CG PHE A 12 -6.530 4.961 -4.051 1.00 0.00 C ATOM 111 CD1 PHE A 12 -6.441 3.788 -3.291 1.00 0.00 C ATOM 112 CD2 PHE A 12 -5.418 5.419 -4.766 1.00 0.00 C ATOM 113 CE1 PHE A 12 -5.239 3.074 -3.247 1.00 0.00 C ATOM 114 CE2 PHE A 12 -4.216 4.704 -4.722 1.00 0.00 C ATOM 115 CZ PHE A 12 -4.126 3.531 -3.963 1.00 0.00 C ATOM 116 H PHE A 12 -7.426 5.758 -6.625 1.00 0.00 H ATOM 117 N LYS A 13 -10.337 6.832 -5.618 1.00 0.00 N ATOM 118 CA LYS A 13 -11.613 7.539 -5.577 1.00 0.00 C ATOM 119 C LYS A 13 -12.721 6.687 -6.192 1.00 0.00 C ATOM 120 O LYS A 13 -13.822 6.599 -5.651 1.00 0.00 O ATOM 121 CB LYS A 13 -11.501 8.861 -6.345 1.00 0.00 C ATOM 122 CG LYS A 13 -12.781 9.682 -6.140 1.00 0.00 C ATOM 123 CD LYS A 13 -12.651 11.049 -6.834 1.00 0.00 C ATOM 124 CE LYS A 13 -12.925 10.912 -8.336 1.00 0.00 C ATOM 125 NZ LYS A 13 -12.957 12.266 -8.958 1.00 0.00 N ATOM 126 HZ1 LYS A 13 -13.710 12.831 -8.517 1.00 0.00 H ATOM 127 HZ2 LYS A 13 -12.040 12.735 -8.813 1.00 0.00 H ATOM 128 HZ3 LYS A 13 -13.143 12.174 -9.977 1.00 0.00 H ATOM 129 H LYS A 13 -9.548 7.235 -6.163 1.00 0.00 H ATOM 130 N GLU A 14 -12.419 6.066 -7.329 1.00 0.00 N ATOM 131 CA GLU A 14 -13.397 5.224 -8.017 1.00 0.00 C ATOM 132 C GLU A 14 -13.719 3.977 -7.196 1.00 0.00 C ATOM 133 O GLU A 14 -14.862 3.521 -7.165 1.00 0.00 O ATOM 134 CB GLU A 14 -12.854 4.806 -9.387 1.00 0.00 C ATOM 135 CG GLU A 14 -12.734 6.032 -10.301 1.00 0.00 C ATOM 136 CD GLU A 14 -14.117 6.591 -10.619 1.00 0.00 C ATOM 137 OE1 GLU A 14 -15.078 5.849 -10.498 1.00 0.00 O ATOM 138 OE2 GLU A 14 -14.195 7.753 -10.982 1.00 0.00 O ATOM 139 H GLU A 14 -11.469 6.181 -7.736 1.00 0.00 H ATOM 140 N ALA A 15 -12.703 3.427 -6.540 1.00 0.00 N ATOM 141 CA ALA A 15 -12.885 2.228 -5.729 1.00 0.00 C ATOM 142 C ALA A 15 -13.916 2.468 -4.631 1.00 0.00 C ATOM 143 O ALA A 15 -14.586 1.535 -4.177 1.00 0.00 O ATOM 144 CB ALA A 15 -11.553 1.824 -5.096 1.00 0.00 C ATOM 145 H ALA A 15 -11.760 3.860 -6.606 1.00 0.00 H ATOM 146 N PHE A 16 -14.037 3.720 -4.204 1.00 0.00 N ATOM 147 CA PHE A 16 -14.981 4.071 -3.152 1.00 0.00 C ATOM 148 C PHE A 16 -16.398 3.674 -3.551 1.00 0.00 C ATOM 149 O PHE A 16 -17.129 3.071 -2.765 1.00 0.00 O ATOM 150 CB PHE A 16 -14.928 5.576 -2.889 1.00 0.00 C ATOM 151 CG PHE A 16 -15.794 5.908 -1.699 1.00 0.00 C ATOM 152 CD1 PHE A 16 -17.158 6.171 -1.876 1.00 0.00 C ATOM 153 CD2 PHE A 16 -15.234 5.953 -0.418 1.00 0.00 C ATOM 154 CE1 PHE A 16 -17.961 6.478 -0.772 1.00 0.00 C ATOM 155 CE2 PHE A 16 -16.036 6.261 0.687 1.00 0.00 C ATOM 156 CZ PHE A 16 -17.400 6.524 0.510 1.00 0.00 C ATOM 157 H PHE A 16 -13.447 4.463 -4.629 1.00 0.00 H ATOM 158 N SER A 17 -16.779 4.014 -4.778 1.00 0.00 N ATOM 159 CA SER A 17 -18.111 3.682 -5.271 1.00 0.00 C ATOM 160 C SER A 17 -18.184 2.212 -5.681 1.00 0.00 C ATOM 161 O SER A 17 -19.269 1.635 -5.755 1.00 0.00 O ATOM 162 CB SER A 17 -18.462 4.571 -6.469 1.00 0.00 C ATOM 163 OG SER A 17 -18.849 5.856 -6.000 1.00 0.00 O ATOM 164 HG SER A 17 -19.076 6.433 -6.772 1.00 0.00 H ATOM 165 H SER A 17 -16.117 4.525 -5.396 1.00 0.00 H ATOM 166 N LEU A 18 -17.027 1.612 -5.956 1.00 0.00 N ATOM 167 CA LEU A 18 -16.993 0.212 -6.364 1.00 0.00 C ATOM 168 C LEU A 18 -17.534 -0.680 -5.251 1.00 0.00 C ATOM 169 O LEU A 18 -18.281 -1.624 -5.510 1.00 0.00 O ATOM 170 CB LEU A 18 -15.557 -0.209 -6.707 1.00 0.00 C ATOM 171 CG LEU A 18 -15.522 -1.677 -7.172 1.00 0.00 C ATOM 172 CD1 LEU A 18 -16.408 -1.870 -8.419 1.00 0.00 C ATOM 173 CD2 LEU A 18 -14.077 -2.054 -7.503 1.00 0.00 C ATOM 174 H LEU A 18 -16.139 2.147 -5.879 1.00 0.00 H ATOM 175 N PHE A 19 -17.136 -0.394 -4.018 1.00 0.00 N ATOM 176 CA PHE A 19 -17.580 -1.205 -2.886 1.00 0.00 C ATOM 177 C PHE A 19 -19.100 -1.187 -2.749 1.00 0.00 C ATOM 178 O PHE A 19 -19.732 -2.234 -2.644 1.00 0.00 O ATOM 179 CB PHE A 19 -16.958 -0.683 -1.590 1.00 0.00 C ATOM 180 CG PHE A 19 -15.458 -0.839 -1.653 1.00 0.00 C ATOM 181 CD1 PHE A 19 -14.883 -2.109 -1.542 1.00 0.00 C ATOM 182 CD2 PHE A 19 -14.642 0.286 -1.827 1.00 0.00 C ATOM 183 CE1 PHE A 19 -13.493 -2.255 -1.604 1.00 0.00 C ATOM 184 CE2 PHE A 19 -13.253 0.141 -1.891 1.00 0.00 C ATOM 185 CZ PHE A 19 -12.678 -1.129 -1.779 1.00 0.00 C ATOM 186 H PHE A 19 -16.502 0.415 -3.856 1.00 0.00 H ATOM 187 N ASP A 20 -19.684 0.002 -2.739 1.00 0.00 N ATOM 188 CA ASP A 20 -21.131 0.130 -2.594 1.00 0.00 C ATOM 189 C ASP A 20 -21.853 -0.201 -3.900 1.00 0.00 C ATOM 190 O ASP A 20 -23.067 -0.402 -3.917 1.00 0.00 O ATOM 191 CB ASP A 20 -21.469 1.553 -2.129 1.00 0.00 C ATOM 192 CG ASP A 20 -22.951 1.852 -2.327 1.00 0.00 C ATOM 193 OD1 ASP A 20 -23.743 0.946 -2.145 1.00 0.00 O ATOM 194 OD2 ASP A 20 -23.266 2.980 -2.669 1.00 0.00 O ATOM 195 H ASP A 20 -19.102 0.858 -2.836 1.00 0.00 H ATOM 196 N LYS A 21 -21.111 -0.254 -4.992 1.00 0.00 N ATOM 197 CA LYS A 21 -21.704 -0.553 -6.288 1.00 0.00 C ATOM 198 C LYS A 21 -22.666 -1.738 -6.185 1.00 0.00 C ATOM 199 O LYS A 21 -23.663 -1.799 -6.903 1.00 0.00 O ATOM 200 CB LYS A 21 -20.610 -0.846 -7.315 1.00 0.00 C ATOM 201 CG LYS A 21 -21.236 -0.977 -8.701 1.00 0.00 C ATOM 202 CD LYS A 21 -20.131 -1.156 -9.742 1.00 0.00 C ATOM 203 CE LYS A 21 -20.758 -1.253 -11.131 1.00 0.00 C ATOM 204 NZ LYS A 21 -19.680 -1.371 -12.152 1.00 0.00 N ATOM 205 HZ1 LYS A 21 -19.066 -0.533 -12.105 1.00 0.00 H ATOM 206 HZ2 LYS A 21 -19.118 -2.225 -11.963 1.00 0.00 H ATOM 207 HZ3 LYS A 21 -20.106 -1.437 -13.098 1.00 0.00 H ATOM 208 H LYS A 21 -20.088 -0.080 -4.925 1.00 0.00 H ATOM 209 N ASP A 22 -22.361 -2.678 -5.294 1.00 0.00 N ATOM 210 CA ASP A 22 -23.212 -3.856 -5.121 1.00 0.00 C ATOM 211 C ASP A 22 -24.663 -3.437 -4.857 1.00 0.00 C ATOM 212 O ASP A 22 -25.593 -3.986 -5.450 1.00 0.00 O ATOM 213 CB ASP A 22 -22.705 -4.695 -3.940 1.00 0.00 C ATOM 214 CG ASP A 22 -23.025 -3.996 -2.622 1.00 0.00 C ATOM 215 OD1 ASP A 22 -22.798 -2.800 -2.540 1.00 0.00 O ATOM 216 OD2 ASP A 22 -23.498 -4.665 -1.720 1.00 0.00 O ATOM 217 H ASP A 22 -21.505 -2.574 -4.712 1.00 0.00 H ATOM 218 N GLY A 23 -24.844 -2.468 -3.960 1.00 0.00 N ATOM 219 CA GLY A 23 -26.184 -1.982 -3.615 1.00 0.00 C ATOM 220 C GLY A 23 -26.163 -0.479 -3.343 1.00 0.00 C ATOM 221 O GLY A 23 -25.337 0.246 -3.894 1.00 0.00 O ATOM 222 H GLY A 23 -24.015 -2.047 -3.494 1.00 0.00 H ATOM 223 N ASP A 24 -27.080 -0.017 -2.497 1.00 0.00 N ATOM 224 CA ASP A 24 -27.152 1.407 -2.168 1.00 0.00 C ATOM 225 C ASP A 24 -25.998 1.820 -1.261 1.00 0.00 C ATOM 226 O ASP A 24 -25.318 2.816 -1.520 1.00 0.00 O ATOM 227 CB ASP A 24 -28.473 1.683 -1.454 1.00 0.00 C ATOM 228 CG ASP A 24 -28.579 0.779 -0.230 1.00 0.00 C ATOM 229 OD1 ASP A 24 -27.843 -0.198 -0.174 1.00 0.00 O ATOM 230 OD2 ASP A 24 -29.387 1.074 0.632 1.00 0.00 O ATOM 231 H ASP A 24 -27.756 -0.678 -2.063 1.00 0.00 H ATOM 232 N GLY A 25 -25.758 1.035 -0.216 1.00 0.00 N ATOM 233 CA GLY A 25 -24.659 1.301 0.703 1.00 0.00 C ATOM 234 C GLY A 25 -24.410 0.095 1.596 1.00 0.00 C ATOM 235 O GLY A 25 -25.192 -0.182 2.506 1.00 0.00 O ATOM 236 H GLY A 25 -26.370 0.210 -0.050 1.00 0.00 H ATOM 237 N THR A 26 -23.319 -0.619 1.355 1.00 0.00 N ATOM 238 CA THR A 26 -23.002 -1.781 2.172 1.00 0.00 C ATOM 239 C THR A 26 -21.571 -2.242 1.939 1.00 0.00 C ATOM 240 O THR A 26 -21.101 -2.276 0.801 1.00 0.00 O ATOM 241 CB THR A 26 -23.967 -2.930 1.861 1.00 0.00 C ATOM 242 OG1 THR A 26 -25.288 -2.419 1.746 1.00 0.00 O ATOM 243 CG2 THR A 26 -23.909 -3.958 2.990 1.00 0.00 C ATOM 244 HG1 THR A 26 -25.549 -1.989 2.598 1.00 0.00 H ATOM 245 H THR A 26 -22.685 -0.347 0.577 1.00 0.00 H ATOM 246 N ILE A 27 -20.886 -2.622 3.017 1.00 0.00 N ATOM 247 CA ILE A 27 -19.511 -3.112 2.919 1.00 0.00 C ATOM 248 C ILE A 27 -19.460 -4.578 3.344 1.00 0.00 C ATOM 249 O ILE A 27 -19.625 -4.894 4.520 1.00 0.00 O ATOM 250 CB ILE A 27 -18.585 -2.272 3.811 1.00 0.00 C ATOM 251 CG1 ILE A 27 -18.574 -0.798 3.328 1.00 0.00 C ATOM 252 CG2 ILE A 27 -17.168 -2.848 3.735 1.00 0.00 C ATOM 253 CD1 ILE A 27 -19.697 -0.003 4.007 1.00 0.00 C ATOM 254 H ILE A 27 -21.340 -2.569 3.951 1.00 0.00 H ATOM 255 N THR A 28 -19.241 -5.476 2.379 1.00 0.00 N ATOM 256 CA THR A 28 -19.186 -6.914 2.664 1.00 0.00 C ATOM 257 C THR A 28 -17.918 -7.522 2.080 1.00 0.00 C ATOM 258 O THR A 28 -17.195 -6.872 1.329 1.00 0.00 O ATOM 259 CB THR A 28 -20.412 -7.613 2.064 1.00 0.00 C ATOM 260 OG1 THR A 28 -20.168 -7.900 0.694 1.00 0.00 O ATOM 261 CG2 THR A 28 -21.632 -6.697 2.184 1.00 0.00 C ATOM 262 HG1 THR A 28 -20.959 -8.351 0.307 1.00 0.00 H ATOM 263 H THR A 28 -19.106 -5.147 1.402 1.00 0.00 H ATOM 264 N THR A 29 -17.652 -8.770 2.440 1.00 0.00 N ATOM 265 CA THR A 29 -16.464 -9.459 1.954 1.00 0.00 C ATOM 266 C THR A 29 -16.531 -9.653 0.444 1.00 0.00 C ATOM 267 O THR A 29 -15.508 -9.628 -0.239 1.00 0.00 O ATOM 268 CB THR A 29 -16.350 -10.824 2.632 1.00 0.00 C ATOM 269 OG1 THR A 29 -17.473 -11.615 2.265 1.00 0.00 O ATOM 270 CG2 THR A 29 -16.330 -10.652 4.160 1.00 0.00 C ATOM 271 HG1 THR A 29 -17.407 -12.502 2.700 1.00 0.00 H ATOM 272 H THR A 29 -18.303 -9.266 3.081 1.00 0.00 H ATOM 273 N LYS A 30 -17.741 -9.843 -0.073 1.00 0.00 N ATOM 274 CA LYS A 30 -17.918 -10.035 -1.506 1.00 0.00 C ATOM 275 C LYS A 30 -17.443 -8.802 -2.258 1.00 0.00 C ATOM 276 O LYS A 30 -16.789 -8.907 -3.295 1.00 0.00 O ATOM 277 CB LYS A 30 -19.388 -10.300 -1.832 1.00 0.00 C ATOM 278 CG LYS A 30 -19.785 -11.690 -1.332 1.00 0.00 C ATOM 279 CD LYS A 30 -21.254 -11.947 -1.676 1.00 0.00 C ATOM 280 CE LYS A 30 -21.627 -13.387 -1.317 1.00 0.00 C ATOM 281 NZ LYS A 30 -21.614 -13.557 0.164 1.00 0.00 N ATOM 282 HZ1 LYS A 30 -20.663 -13.346 0.528 1.00 0.00 H ATOM 283 HZ2 LYS A 30 -22.302 -12.906 0.593 1.00 0.00 H ATOM 284 HZ3 LYS A 30 -21.868 -14.537 0.401 1.00 0.00 H ATOM 285 H LYS A 30 -18.571 -9.855 0.553 1.00 0.00 H ATOM 286 N GLU A 31 -17.770 -7.635 -1.721 1.00 0.00 N ATOM 287 CA GLU A 31 -17.360 -6.386 -2.343 1.00 0.00 C ATOM 288 C GLU A 31 -15.837 -6.282 -2.345 1.00 0.00 C ATOM 289 O GLU A 31 -15.231 -5.935 -3.358 1.00 0.00 O ATOM 290 CB GLU A 31 -17.957 -5.207 -1.574 1.00 0.00 C ATOM 291 CG GLU A 31 -19.478 -5.210 -1.734 1.00 0.00 C ATOM 292 CD GLU A 31 -20.088 -4.095 -0.886 1.00 0.00 C ATOM 293 OE1 GLU A 31 -19.331 -3.265 -0.413 1.00 0.00 O ATOM 294 OE2 GLU A 31 -21.297 -4.090 -0.715 1.00 0.00 O ATOM 295 H GLU A 31 -18.327 -7.612 -0.843 1.00 0.00 H ATOM 296 N LEU A 32 -15.224 -6.596 -1.202 1.00 0.00 N ATOM 297 CA LEU A 32 -13.769 -6.546 -1.086 1.00 0.00 C ATOM 298 C LEU A 32 -13.132 -7.576 -2.018 1.00 0.00 C ATOM 299 O LEU A 32 -12.145 -7.290 -2.695 1.00 0.00 O ATOM 300 CB LEU A 32 -13.350 -6.824 0.366 1.00 0.00 C ATOM 301 CG LEU A 32 -11.819 -6.872 0.493 1.00 0.00 C ATOM 302 CD1 LEU A 32 -11.200 -5.553 0.006 1.00 0.00 C ATOM 303 CD2 LEU A 32 -11.451 -7.095 1.961 1.00 0.00 C ATOM 304 H LEU A 32 -15.792 -6.881 -0.379 1.00 0.00 H ATOM 305 N GLY A 33 -13.706 -8.777 -2.045 1.00 0.00 N ATOM 306 CA GLY A 33 -13.184 -9.842 -2.895 1.00 0.00 C ATOM 307 C GLY A 33 -13.140 -9.401 -4.352 1.00 0.00 C ATOM 308 O GLY A 33 -12.338 -9.901 -5.137 1.00 0.00 O ATOM 309 H GLY A 33 -14.540 -8.959 -1.451 1.00 0.00 H ATOM 310 N THR A 34 -14.003 -8.462 -4.709 1.00 0.00 N ATOM 311 CA THR A 34 -14.044 -7.963 -6.074 1.00 0.00 C ATOM 312 C THR A 34 -12.729 -7.267 -6.418 1.00 0.00 C ATOM 313 O THR A 34 -12.201 -7.422 -7.520 1.00 0.00 O ATOM 314 CB THR A 34 -15.208 -6.988 -6.244 1.00 0.00 C ATOM 315 OG1 THR A 34 -16.382 -7.559 -5.683 1.00 0.00 O ATOM 316 CG2 THR A 34 -15.433 -6.716 -7.731 1.00 0.00 C ATOM 317 HG1 THR A 34 -16.234 -7.736 -4.720 1.00 0.00 H ATOM 318 H THR A 34 -14.661 -8.076 -4.002 1.00 0.00 H ATOM 319 N VAL A 35 -12.213 -6.492 -5.466 1.00 0.00 N ATOM 320 CA VAL A 35 -10.966 -5.766 -5.678 1.00 0.00 C ATOM 321 C VAL A 35 -9.857 -6.724 -6.063 1.00 0.00 C ATOM 322 O VAL A 35 -8.869 -6.331 -6.684 1.00 0.00 O ATOM 323 CB VAL A 35 -10.557 -5.028 -4.402 1.00 0.00 C ATOM 324 CG1 VAL A 35 -9.245 -4.275 -4.643 1.00 0.00 C ATOM 325 CG2 VAL A 35 -11.652 -4.037 -4.015 1.00 0.00 C ATOM 326 H VAL A 35 -12.708 -6.403 -4.556 1.00 0.00 H ATOM 327 N MET A 36 -10.015 -7.980 -5.687 1.00 0.00 N ATOM 328 CA MET A 36 -9.001 -8.973 -6.001 1.00 0.00 C ATOM 329 C MET A 36 -8.599 -8.884 -7.458 1.00 0.00 C ATOM 330 O MET A 36 -7.469 -9.217 -7.807 1.00 0.00 O ATOM 331 CB MET A 36 -9.509 -10.385 -5.735 1.00 0.00 C ATOM 332 CG MET A 36 -9.739 -10.582 -4.244 1.00 0.00 C ATOM 333 SD MET A 36 -8.157 -10.549 -3.366 1.00 0.00 S ATOM 334 CE MET A 36 -7.853 -12.336 -3.355 1.00 0.00 C ATOM 335 H MET A 36 -10.869 -8.260 -5.164 1.00 0.00 H ATOM 336 N ARG A 37 -9.521 -8.470 -8.333 1.00 0.00 N ATOM 337 CA ARG A 37 -9.152 -8.408 -9.738 1.00 0.00 C ATOM 338 C ARG A 37 -8.056 -7.378 -9.969 1.00 0.00 C ATOM 339 O ARG A 37 -7.087 -7.644 -10.674 1.00 0.00 O ATOM 340 CB ARG A 37 -10.319 -8.094 -10.699 1.00 0.00 C ATOM 341 CG ARG A 37 -9.864 -8.618 -12.075 1.00 0.00 C ATOM 342 CD ARG A 37 -10.741 -8.181 -13.235 1.00 0.00 C ATOM 343 NE ARG A 37 -10.459 -9.115 -14.342 1.00 0.00 N ATOM 344 CZ ARG A 37 -10.446 -8.752 -15.622 1.00 0.00 C ATOM 345 NH1 ARG A 37 -10.489 -7.499 -15.992 1.00 0.00 N ATOM 346 NH2 ARG A 37 -10.294 -9.692 -16.517 1.00 0.00 N ATOM 347 HE ARG A 37 -10.260 -10.109 -14.110 1.00 0.00 H ATOM 348 HH12 ARG A 37 -10.477 -7.255 -17.003 1.00 0.00 H ATOM 349 HH11 ARG A 37 -10.535 -6.747 -15.276 1.00 0.00 H ATOM 350 HH22 ARG A 37 -10.278 -9.450 -17.528 1.00 0.00 H ATOM 351 HH21 ARG A 37 -10.189 -10.683 -16.218 1.00 0.00 H ATOM 352 H ARG A 37 -10.475 -8.200 -8.018 1.00 0.00 H ATOM 353 N SER A 38 -8.208 -6.201 -9.381 1.00 0.00 N ATOM 354 CA SER A 38 -7.205 -5.158 -9.561 1.00 0.00 C ATOM 355 C SER A 38 -5.879 -5.607 -8.961 1.00 0.00 C ATOM 356 O SER A 38 -4.818 -5.099 -9.322 1.00 0.00 O ATOM 357 CB SER A 38 -7.658 -3.859 -8.891 1.00 0.00 C ATOM 358 OG SER A 38 -7.869 -4.092 -7.505 1.00 0.00 O ATOM 359 HG SER A 38 -8.567 -4.785 -7.391 1.00 0.00 H ATOM 360 H SER A 38 -9.044 -6.020 -8.790 1.00 0.00 H ATOM 361 N LEU A 39 -5.950 -6.561 -8.035 1.00 0.00 N ATOM 362 CA LEU A 39 -4.762 -7.085 -7.370 1.00 0.00 C ATOM 363 C LEU A 39 -4.461 -8.498 -7.869 1.00 0.00 C ATOM 364 O LEU A 39 -3.546 -9.155 -7.378 1.00 0.00 O ATOM 365 CB LEU A 39 -5.010 -7.118 -5.856 1.00 0.00 C ATOM 366 CG LEU A 39 -5.660 -5.802 -5.384 1.00 0.00 C ATOM 367 CD1 LEU A 39 -6.106 -5.955 -3.933 1.00 0.00 C ATOM 368 CD2 LEU A 39 -4.660 -4.643 -5.470 1.00 0.00 C ATOM 369 H LEU A 39 -6.882 -6.945 -7.778 1.00 0.00 H ATOM 370 N GLY A 40 -5.252 -8.960 -8.841 1.00 0.00 N ATOM 371 CA GLY A 40 -5.076 -10.306 -9.392 1.00 0.00 C ATOM 372 C GLY A 40 -5.298 -11.356 -8.311 1.00 0.00 C ATOM 373 O GLY A 40 -6.304 -12.067 -8.307 1.00 0.00 O ATOM 374 H GLY A 40 -6.008 -8.352 -9.214 1.00 0.00 H ATOM 375 N GLN A 41 -4.349 -11.435 -7.388 1.00 0.00 N ATOM 376 CA GLN A 41 -4.416 -12.383 -6.275 1.00 0.00 C ATOM 377 C GLN A 41 -3.794 -11.754 -5.035 1.00 0.00 C ATOM 378 O GLN A 41 -2.581 -11.558 -4.965 1.00 0.00 O ATOM 379 CB GLN A 41 -3.665 -13.672 -6.630 1.00 0.00 C ATOM 380 CG GLN A 41 -4.450 -14.456 -7.684 1.00 0.00 C ATOM 381 CD GLN A 41 -3.687 -15.720 -8.069 1.00 0.00 C ATOM 382 OE1 GLN A 41 -2.549 -15.643 -8.530 1.00 0.00 O ATOM 383 NE2 GLN A 41 -4.250 -16.887 -7.909 1.00 0.00 N ATOM 384 HE22 GLN A 41 -5.212 -16.951 -7.519 1.00 0.00 H ATOM 385 HE21 GLN A 41 -3.736 -17.752 -8.171 1.00 0.00 H ATOM 386 H GLN A 41 -3.528 -10.801 -7.458 1.00 0.00 H ATOM 387 N ASN A 42 -4.638 -11.427 -4.056 1.00 0.00 N ATOM 388 CA ASN A 42 -4.178 -10.803 -2.812 1.00 0.00 C ATOM 389 C ASN A 42 -4.646 -11.603 -1.586 1.00 0.00 C ATOM 390 O ASN A 42 -5.508 -11.133 -0.848 1.00 0.00 O ATOM 391 CB ASN A 42 -4.742 -9.377 -2.721 1.00 0.00 C ATOM 392 CG ASN A 42 -4.266 -8.713 -1.432 1.00 0.00 C ATOM 393 OD1 ASN A 42 -3.244 -9.108 -0.873 1.00 0.00 O ATOM 394 ND2 ASN A 42 -4.947 -7.721 -0.925 1.00 0.00 N ATOM 395 HD22 ASN A 42 -5.811 -7.388 -1.398 1.00 0.00 H ATOM 396 HD21 ASN A 42 -4.625 -7.264 -0.048 1.00 0.00 H ATOM 397 H ASN A 42 -5.652 -11.620 -4.179 1.00 0.00 H ATOM 398 N PRO A 43 -4.095 -12.784 -1.344 1.00 0.00 N ATOM 399 CA PRO A 43 -4.480 -13.626 -0.177 1.00 0.00 C ATOM 400 C PRO A 43 -4.866 -12.803 1.037 1.00 0.00 C ATOM 401 O PRO A 43 -5.668 -13.231 1.862 1.00 0.00 O ATOM 402 CB PRO A 43 -3.218 -14.429 0.103 1.00 0.00 C ATOM 403 CG PRO A 43 -2.523 -14.564 -1.234 1.00 0.00 C ATOM 404 CD PRO A 43 -3.064 -13.453 -2.161 1.00 0.00 C ATOM 405 N THR A 44 -4.263 -11.630 1.149 1.00 0.00 N ATOM 406 CA THR A 44 -4.522 -10.739 2.273 1.00 0.00 C ATOM 407 C THR A 44 -5.999 -10.757 2.638 1.00 0.00 C ATOM 408 O THR A 44 -6.368 -10.563 3.790 1.00 0.00 O ATOM 409 CB THR A 44 -4.110 -9.307 1.912 1.00 0.00 C ATOM 410 OG1 THR A 44 -2.785 -9.300 1.418 1.00 0.00 O ATOM 411 CG2 THR A 44 -4.198 -8.407 3.144 1.00 0.00 C ATOM 412 HG1 THR A 44 -2.732 -9.870 0.610 1.00 0.00 H ATOM 413 H THR A 44 -3.587 -11.336 0.416 1.00 0.00 H ATOM 414 N GLU A 45 -6.840 -10.989 1.641 1.00 0.00 N ATOM 415 CA GLU A 45 -8.281 -11.032 1.860 1.00 0.00 C ATOM 416 C GLU A 45 -8.710 -12.432 2.279 1.00 0.00 C ATOM 417 O GLU A 45 -9.625 -12.599 3.087 1.00 0.00 O ATOM 418 CB GLU A 45 -9.003 -10.641 0.574 1.00 0.00 C ATOM 419 CG GLU A 45 -8.636 -9.201 0.208 1.00 0.00 C ATOM 420 CD GLU A 45 -9.321 -8.810 -1.094 1.00 0.00 C ATOM 421 OE1 GLU A 45 -10.084 -9.614 -1.595 1.00 0.00 O ATOM 422 OE2 GLU A 45 -9.077 -7.711 -1.566 1.00 0.00 O ATOM 423 H GLU A 45 -6.465 -11.143 0.683 1.00 0.00 H ATOM 424 N ALA A 46 -8.038 -13.437 1.724 1.00 0.00 N ATOM 425 CA ALA A 46 -8.347 -14.827 2.041 1.00 0.00 C ATOM 426 C ALA A 46 -8.186 -15.091 3.531 1.00 0.00 C ATOM 427 O ALA A 46 -9.079 -15.646 4.171 1.00 0.00 O ATOM 428 CB ALA A 46 -7.411 -15.755 1.272 1.00 0.00 C ATOM 429 H ALA A 46 -7.275 -13.227 1.049 1.00 0.00 H ATOM 430 N GLU A 47 -7.043 -14.688 4.081 1.00 0.00 N ATOM 431 CA GLU A 47 -6.789 -14.885 5.501 1.00 0.00 C ATOM 432 C GLU A 47 -7.718 -14.003 6.313 1.00 0.00 C ATOM 433 O GLU A 47 -8.318 -14.442 7.292 1.00 0.00 O ATOM 434 CB GLU A 47 -5.326 -14.525 5.841 1.00 0.00 C ATOM 435 CG GLU A 47 -4.735 -15.554 6.819 1.00 0.00 C ATOM 436 CD GLU A 47 -5.456 -15.474 8.164 1.00 0.00 C ATOM 437 OE1 GLU A 47 -5.521 -14.387 8.720 1.00 0.00 O ATOM 438 OE2 GLU A 47 -5.939 -16.498 8.615 1.00 0.00 O ATOM 439 H GLU A 47 -6.323 -14.227 3.489 1.00 0.00 H ATOM 440 N LEU A 48 -7.817 -12.750 5.901 1.00 0.00 N ATOM 441 CA LEU A 48 -8.671 -11.804 6.616 1.00 0.00 C ATOM 442 C LEU A 48 -10.143 -12.205 6.525 1.00 0.00 C ATOM 443 O LEU A 48 -10.915 -11.941 7.445 1.00 0.00 O ATOM 444 CB LEU A 48 -8.490 -10.379 6.085 1.00 0.00 C ATOM 445 CG LEU A 48 -7.103 -9.836 6.459 1.00 0.00 C ATOM 446 CD1 LEU A 48 -6.934 -8.453 5.821 1.00 0.00 C ATOM 447 CD2 LEU A 48 -6.968 -9.727 7.994 1.00 0.00 C ATOM 448 H LEU A 48 -7.285 -12.437 5.064 1.00 0.00 H ATOM 449 N GLN A 49 -10.526 -12.841 5.417 1.00 0.00 N ATOM 450 CA GLN A 49 -11.912 -13.274 5.224 1.00 0.00 C ATOM 451 C GLN A 49 -12.516 -13.767 6.537 1.00 0.00 C ATOM 452 O GLN A 49 -13.589 -13.322 6.943 1.00 0.00 O ATOM 453 CB GLN A 49 -11.943 -14.397 4.180 1.00 0.00 C ATOM 454 CG GLN A 49 -13.386 -14.823 3.886 1.00 0.00 C ATOM 455 CD GLN A 49 -14.172 -13.659 3.290 1.00 0.00 C ATOM 456 OE1 GLN A 49 -13.613 -12.831 2.571 1.00 0.00 O ATOM 457 NE2 GLN A 49 -15.450 -13.553 3.538 1.00 0.00 N ATOM 458 HE22 GLN A 49 -15.922 -14.253 4.146 1.00 0.00 H ATOM 459 HE21 GLN A 49 -15.996 -12.769 3.128 1.00 0.00 H ATOM 460 H GLN A 49 -9.825 -13.034 4.673 1.00 0.00 H ATOM 461 N ASP A 50 -11.812 -14.674 7.205 1.00 0.00 N ATOM 462 CA ASP A 50 -12.290 -15.195 8.478 1.00 0.00 C ATOM 463 C ASP A 50 -12.294 -14.090 9.533 1.00 0.00 C ATOM 464 O ASP A 50 -13.217 -13.999 10.345 1.00 0.00 O ATOM 465 CB ASP A 50 -11.403 -16.348 8.948 1.00 0.00 C ATOM 466 CG ASP A 50 -11.946 -16.916 10.255 1.00 0.00 C ATOM 467 OD1 ASP A 50 -12.872 -16.331 10.792 1.00 0.00 O ATOM 468 OD2 ASP A 50 -11.430 -17.928 10.699 1.00 0.00 O ATOM 469 H ASP A 50 -10.910 -15.015 6.815 1.00 0.00 H ATOM 470 N MET A 51 -11.255 -13.253 9.526 1.00 0.00 N ATOM 471 CA MET A 51 -11.160 -12.169 10.501 1.00 0.00 C ATOM 472 C MET A 51 -12.321 -11.187 10.341 1.00 0.00 C ATOM 473 O MET A 51 -12.875 -10.704 11.329 1.00 0.00 O ATOM 474 CB MET A 51 -9.832 -11.419 10.333 1.00 0.00 C ATOM 475 CG MET A 51 -9.690 -10.378 11.452 1.00 0.00 C ATOM 476 SD MET A 51 -8.087 -9.538 11.321 1.00 0.00 S ATOM 477 CE MET A 51 -8.638 -8.085 10.389 1.00 0.00 C ATOM 478 H MET A 51 -10.503 -13.374 8.818 1.00 0.00 H ATOM 479 N ILE A 52 -12.672 -10.880 9.095 1.00 0.00 N ATOM 480 CA ILE A 52 -13.754 -9.938 8.822 1.00 0.00 C ATOM 481 C ILE A 52 -15.081 -10.448 9.374 1.00 0.00 C ATOM 482 O ILE A 52 -15.783 -9.728 10.075 1.00 0.00 O ATOM 483 CB ILE A 52 -13.889 -9.718 7.309 1.00 0.00 C ATOM 484 CG1 ILE A 52 -12.575 -9.159 6.749 1.00 0.00 C ATOM 485 CG2 ILE A 52 -15.031 -8.731 7.036 1.00 0.00 C ATOM 486 CD1 ILE A 52 -12.608 -9.183 5.215 1.00 0.00 C ATOM 487 H ILE A 52 -12.166 -11.319 8.300 1.00 0.00 H ATOM 488 N ASN A 53 -15.413 -11.694 9.062 1.00 0.00 N ATOM 489 CA ASN A 53 -16.662 -12.288 9.538 1.00 0.00 C ATOM 490 C ASN A 53 -16.669 -12.372 11.063 1.00 0.00 C ATOM 491 O ASN A 53 -17.688 -12.127 11.698 1.00 0.00 O ATOM 492 CB ASN A 53 -16.831 -13.691 8.943 1.00 0.00 C ATOM 493 CG ASN A 53 -17.281 -13.598 7.489 1.00 0.00 C ATOM 494 OD1 ASN A 53 -17.741 -12.546 7.045 1.00 0.00 O ATOM 495 ND2 ASN A 53 -17.185 -14.645 6.716 1.00 0.00 N ATOM 496 HD22 ASN A 53 -16.796 -15.534 7.091 1.00 0.00 H ATOM 497 HD21 ASN A 53 -17.497 -14.590 5.725 1.00 0.00 H ATOM 498 H ASN A 53 -14.773 -12.259 8.468 1.00 0.00 H ATOM 499 N GLU A 54 -15.526 -12.733 11.641 1.00 0.00 N ATOM 500 CA GLU A 54 -15.428 -12.862 13.094 1.00 0.00 C ATOM 501 C GLU A 54 -15.857 -11.574 13.794 1.00 0.00 C ATOM 502 O GLU A 54 -16.813 -11.572 14.570 1.00 0.00 O ATOM 503 CB GLU A 54 -13.987 -13.195 13.491 1.00 0.00 C ATOM 504 CG GLU A 54 -13.926 -13.491 14.991 1.00 0.00 C ATOM 505 CD GLU A 54 -12.501 -13.853 15.392 1.00 0.00 C ATOM 506 OE1 GLU A 54 -11.603 -13.602 14.606 1.00 0.00 O ATOM 507 OE2 GLU A 54 -12.329 -14.384 16.477 1.00 0.00 O ATOM 508 H GLU A 54 -14.691 -12.926 11.051 1.00 0.00 H ATOM 509 N VAL A 55 -15.141 -10.487 13.526 1.00 0.00 N ATOM 510 CA VAL A 55 -15.460 -9.203 14.151 1.00 0.00 C ATOM 511 C VAL A 55 -16.774 -8.635 13.612 1.00 0.00 C ATOM 512 O VAL A 55 -17.481 -7.911 14.311 1.00 0.00 O ATOM 513 CB VAL A 55 -14.321 -8.208 13.908 1.00 0.00 C ATOM 514 CG1 VAL A 55 -14.161 -7.958 12.402 1.00 0.00 C ATOM 515 CG2 VAL A 55 -14.640 -6.885 14.617 1.00 0.00 C ATOM 516 H VAL A 55 -14.343 -10.550 12.863 1.00 0.00 H ATOM 517 N ASP A 56 -17.077 -8.956 12.361 1.00 0.00 N ATOM 518 CA ASP A 56 -18.301 -8.465 11.710 1.00 0.00 C ATOM 519 C ASP A 56 -19.504 -9.351 12.034 1.00 0.00 C ATOM 520 O ASP A 56 -20.647 -8.984 11.765 1.00 0.00 O ATOM 521 CB ASP A 56 -18.103 -8.393 10.198 1.00 0.00 C ATOM 522 CG ASP A 56 -19.247 -7.616 9.562 1.00 0.00 C ATOM 523 OD1 ASP A 56 -20.103 -7.151 10.298 1.00 0.00 O ATOM 524 OD2 ASP A 56 -19.250 -7.493 8.350 1.00 0.00 O ATOM 525 H ASP A 56 -16.432 -9.572 11.826 1.00 0.00 H ATOM 526 N ALA A 57 -19.241 -10.524 12.588 1.00 0.00 N ATOM 527 CA ALA A 57 -20.302 -11.474 12.918 1.00 0.00 C ATOM 528 C ALA A 57 -21.101 -10.977 14.116 1.00 0.00 C ATOM 529 O ALA A 57 -21.907 -11.711 14.685 1.00 0.00 O ATOM 530 CB ALA A 57 -19.703 -12.851 13.238 1.00 0.00 C ATOM 531 H ALA A 57 -18.253 -10.776 12.794 1.00 0.00 H ATOM 532 N ASP A 58 -20.900 -9.715 14.464 1.00 0.00 N ATOM 533 CA ASP A 58 -21.635 -9.123 15.569 1.00 0.00 C ATOM 534 C ASP A 58 -23.115 -9.055 15.212 1.00 0.00 C ATOM 535 O ASP A 58 -23.977 -9.119 16.089 1.00 0.00 O ATOM 536 CB ASP A 58 -21.104 -7.722 15.876 1.00 0.00 C ATOM 537 CG ASP A 58 -21.059 -6.880 14.606 1.00 0.00 C ATOM 538 OD1 ASP A 58 -21.701 -7.260 13.641 1.00 0.00 O ATOM 539 OD2 ASP A 58 -20.376 -5.870 14.614 1.00 0.00 O ATOM 540 H ASP A 58 -20.208 -9.141 13.941 1.00 0.00 H ATOM 541 N GLY A 59 -23.404 -8.939 13.911 1.00 0.00 N ATOM 542 CA GLY A 59 -24.786 -8.880 13.443 1.00 0.00 C ATOM 543 C GLY A 59 -24.899 -9.463 12.038 1.00 0.00 C ATOM 544 O GLY A 59 -25.976 -9.881 11.614 1.00 0.00 O ATOM 545 H GLY A 59 -22.629 -8.890 13.219 1.00 0.00 H ATOM 546 N ASN A 60 -23.776 -9.478 11.324 1.00 0.00 N ATOM 547 CA ASN A 60 -23.741 -10.003 9.960 1.00 0.00 C ATOM 548 C ASN A 60 -22.374 -9.739 9.333 1.00 0.00 C ATOM 549 O ASN A 60 -21.705 -8.768 9.685 1.00 0.00 O ATOM 550 CB ASN A 60 -24.836 -9.328 9.119 1.00 0.00 C ATOM 551 CG ASN A 60 -24.964 -7.860 9.519 1.00 0.00 C ATOM 552 OD1 ASN A 60 -23.959 -7.156 9.634 1.00 0.00 O ATOM 553 ND2 ASN A 60 -26.146 -7.355 9.742 1.00 0.00 N ATOM 554 HD22 ASN A 60 -26.993 -7.951 9.644 1.00 0.00 H ATOM 555 HD21 ASN A 60 -26.241 -6.357 10.017 1.00 0.00 H ATOM 556 H ASN A 60 -22.901 -9.107 11.747 1.00 0.00 H ATOM 557 N GLY A 61 -21.968 -10.594 8.398 1.00 0.00 N ATOM 558 CA GLY A 61 -20.687 -10.428 7.724 1.00 0.00 C ATOM 559 C GLY A 61 -20.671 -9.162 6.869 1.00 0.00 C ATOM 560 O GLY A 61 -20.048 -9.132 5.807 1.00 0.00 O ATOM 561 H GLY A 61 -22.577 -11.397 8.143 1.00 0.00 H ATOM 562 N THR A 62 -21.354 -8.114 7.336 1.00 0.00 N ATOM 563 CA THR A 62 -21.401 -6.845 6.612 1.00 0.00 C ATOM 564 C THR A 62 -21.166 -5.685 7.575 1.00 0.00 C ATOM 565 O THR A 62 -21.512 -5.765 8.751 1.00 0.00 O ATOM 566 CB THR A 62 -22.763 -6.685 5.928 1.00 0.00 C ATOM 567 OG1 THR A 62 -23.787 -6.683 6.912 1.00 0.00 O ATOM 568 CG2 THR A 62 -22.998 -7.846 4.954 1.00 0.00 C ATOM 569 HG1 THR A 62 -23.765 -7.538 7.411 1.00 0.00 H ATOM 570 H THR A 62 -21.865 -8.203 8.237 1.00 0.00 H ATOM 571 N ILE A 63 -20.571 -4.606 7.068 1.00 0.00 N ATOM 572 CA ILE A 63 -20.283 -3.425 7.885 1.00 0.00 C ATOM 573 C ILE A 63 -20.981 -2.204 7.297 1.00 0.00 C ATOM 574 O ILE A 63 -20.958 -1.984 6.084 1.00 0.00 O ATOM 575 CB ILE A 63 -18.773 -3.178 7.946 1.00 0.00 C ATOM 576 CG1 ILE A 63 -18.086 -4.388 8.583 1.00 0.00 C ATOM 577 CG2 ILE A 63 -18.489 -1.934 8.790 1.00 0.00 C ATOM 578 CD1 ILE A 63 -16.569 -4.255 8.424 1.00 0.00 C ATOM 579 H ILE A 63 -20.303 -4.602 6.063 1.00 0.00 H ATOM 580 N ASP A 64 -21.620 -1.427 8.165 1.00 0.00 N ATOM 581 CA ASP A 64 -22.338 -0.237 7.734 1.00 0.00 C ATOM 582 C ASP A 64 -21.355 0.889 7.397 1.00 0.00 C ATOM 583 O ASP A 64 -20.188 0.838 7.785 1.00 0.00 O ATOM 584 CB ASP A 64 -23.289 0.212 8.850 1.00 0.00 C ATOM 585 CG ASP A 64 -23.936 -1.000 9.510 1.00 0.00 C ATOM 586 OD1 ASP A 64 -23.361 -1.509 10.459 1.00 0.00 O ATOM 587 OD2 ASP A 64 -24.999 -1.396 9.065 1.00 0.00 O ATOM 588 H ASP A 64 -21.607 -1.675 9.175 1.00 0.00 H ATOM 589 N PHE A 65 -21.827 1.891 6.659 1.00 0.00 N ATOM 590 CA PHE A 65 -20.970 3.010 6.260 1.00 0.00 C ATOM 591 C PHE A 65 -20.500 3.819 7.478 1.00 0.00 C ATOM 592 O PHE A 65 -19.313 4.127 7.596 1.00 0.00 O ATOM 593 CB PHE A 65 -21.725 3.921 5.251 1.00 0.00 C ATOM 594 CG PHE A 65 -20.965 4.016 3.933 1.00 0.00 C ATOM 595 CD1 PHE A 65 -19.632 4.445 3.928 1.00 0.00 C ATOM 596 CD2 PHE A 65 -21.595 3.678 2.725 1.00 0.00 C ATOM 597 CE1 PHE A 65 -18.927 4.538 2.721 1.00 0.00 C ATOM 598 CE2 PHE A 65 -20.888 3.773 1.517 1.00 0.00 C ATOM 599 CZ PHE A 65 -19.554 4.202 1.517 1.00 0.00 C ATOM 600 H PHE A 65 -22.823 1.879 6.360 1.00 0.00 H ATOM 601 N PRO A 66 -21.392 4.179 8.366 1.00 0.00 N ATOM 602 CA PRO A 66 -21.033 4.975 9.576 1.00 0.00 C ATOM 603 C PRO A 66 -19.864 4.351 10.337 1.00 0.00 C ATOM 604 O PRO A 66 -19.010 5.060 10.865 1.00 0.00 O ATOM 605 CB PRO A 66 -22.325 4.969 10.414 1.00 0.00 C ATOM 606 CG PRO A 66 -23.426 4.746 9.425 1.00 0.00 C ATOM 607 CD PRO A 66 -22.832 3.878 8.317 1.00 0.00 C ATOM 608 N GLU A 67 -19.837 3.021 10.386 1.00 0.00 N ATOM 609 CA GLU A 67 -18.769 2.306 11.084 1.00 0.00 C ATOM 610 C GLU A 67 -17.578 2.066 10.156 1.00 0.00 C ATOM 611 O GLU A 67 -16.454 1.858 10.615 1.00 0.00 O ATOM 612 CB GLU A 67 -19.303 0.964 11.583 1.00 0.00 C ATOM 613 CG GLU A 67 -20.380 1.214 12.638 1.00 0.00 C ATOM 614 CD GLU A 67 -21.000 -0.108 13.077 1.00 0.00 C ATOM 615 OE1 GLU A 67 -20.431 -1.141 12.759 1.00 0.00 O ATOM 616 OE2 GLU A 67 -22.046 -0.069 13.701 1.00 0.00 O ATOM 617 H GLU A 67 -20.591 2.479 9.918 1.00 0.00 H ATOM 618 N PHE A 68 -17.831 2.089 8.851 1.00 0.00 N ATOM 619 CA PHE A 68 -16.773 1.866 7.867 1.00 0.00 C ATOM 620 C PHE A 68 -15.688 2.931 7.980 1.00 0.00 C ATOM 621 O PHE A 68 -14.498 2.620 7.992 1.00 0.00 O ATOM 622 CB PHE A 68 -17.361 1.897 6.458 1.00 0.00 C ATOM 623 CG PHE A 68 -16.262 1.683 5.440 1.00 0.00 C ATOM 624 CD1 PHE A 68 -15.672 0.420 5.302 1.00 0.00 C ATOM 625 CD2 PHE A 68 -15.836 2.745 4.632 1.00 0.00 C ATOM 626 CE1 PHE A 68 -14.659 0.221 4.355 1.00 0.00 C ATOM 627 CE2 PHE A 68 -14.823 2.545 3.687 1.00 0.00 C ATOM 628 CZ PHE A 68 -14.234 1.283 3.549 1.00 0.00 C ATOM 629 H PHE A 68 -18.801 2.269 8.523 1.00 0.00 H ATOM 630 N LEU A 69 -16.106 4.187 8.054 1.00 0.00 N ATOM 631 CA LEU A 69 -15.159 5.290 8.156 1.00 0.00 C ATOM 632 C LEU A 69 -14.362 5.193 9.453 1.00 0.00 C ATOM 633 O LEU A 69 -13.149 5.397 9.463 1.00 0.00 O ATOM 634 CB LEU A 69 -15.909 6.624 8.110 1.00 0.00 C ATOM 635 CG LEU A 69 -16.521 6.838 6.719 1.00 0.00 C ATOM 636 CD1 LEU A 69 -17.454 8.049 6.772 1.00 0.00 C ATOM 637 CD2 LEU A 69 -15.409 7.081 5.675 1.00 0.00 C ATOM 638 H LEU A 69 -17.126 4.388 8.039 1.00 0.00 H ATOM 639 N THR A 70 -15.051 4.877 10.545 1.00 0.00 N ATOM 640 CA THR A 70 -14.393 4.752 11.841 1.00 0.00 C ATOM 641 C THR A 70 -13.389 3.602 11.827 1.00 0.00 C ATOM 642 O THR A 70 -12.260 3.747 12.291 1.00 0.00 O ATOM 643 CB THR A 70 -15.434 4.513 12.935 1.00 0.00 C ATOM 644 OG1 THR A 70 -16.299 5.639 13.016 1.00 0.00 O ATOM 645 CG2 THR A 70 -14.728 4.310 14.277 1.00 0.00 C ATOM 646 HG1 THR A 70 -16.974 5.485 13.724 1.00 0.00 H ATOM 647 H THR A 70 -16.076 4.716 10.474 1.00 0.00 H ATOM 648 N MET A 71 -13.812 2.459 11.293 1.00 0.00 N ATOM 649 CA MET A 71 -12.942 1.286 11.227 1.00 0.00 C ATOM 650 C MET A 71 -11.707 1.567 10.379 1.00 0.00 C ATOM 651 O MET A 71 -10.584 1.260 10.780 1.00 0.00 O ATOM 652 CB MET A 71 -13.712 0.108 10.629 1.00 0.00 C ATOM 653 CG MET A 71 -12.811 -1.130 10.580 1.00 0.00 C ATOM 654 SD MET A 71 -13.772 -2.553 10.009 1.00 0.00 S ATOM 655 CE MET A 71 -13.563 -2.278 8.233 1.00 0.00 C ATOM 656 H MET A 71 -14.779 2.399 10.916 1.00 0.00 H ATOM 657 N MET A 72 -11.922 2.145 9.205 1.00 0.00 N ATOM 658 CA MET A 72 -10.819 2.459 8.307 1.00 0.00 C ATOM 659 C MET A 72 -9.922 3.522 8.925 1.00 0.00 C ATOM 660 O MET A 72 -8.700 3.479 8.783 1.00 0.00 O ATOM 661 CB MET A 72 -11.361 2.953 6.961 1.00 0.00 C ATOM 662 CG MET A 72 -12.091 1.807 6.246 1.00 0.00 C ATOM 663 SD MET A 72 -10.910 0.516 5.772 1.00 0.00 S ATOM 664 CE MET A 72 -10.380 1.225 4.191 1.00 0.00 C ATOM 665 H MET A 72 -12.895 2.378 8.921 1.00 0.00 H ATOM 666 N ALA A 73 -10.536 4.479 9.609 1.00 0.00 N ATOM 667 CA ALA A 73 -9.783 5.553 10.240 1.00 0.00 C ATOM 668 C ALA A 73 -8.789 5.000 11.257 1.00 0.00 C ATOM 669 O ALA A 73 -7.614 5.362 11.251 1.00 0.00 O ATOM 670 CB ALA A 73 -10.742 6.515 10.945 1.00 0.00 C ATOM 671 H ALA A 73 -11.572 4.461 9.696 1.00 0.00 H ATOM 672 N ARG A 74 -9.272 4.136 12.142 1.00 0.00 N ATOM 673 CA ARG A 74 -8.418 3.557 13.171 1.00 0.00 C ATOM 674 C ARG A 74 -7.434 2.551 12.571 1.00 0.00 C ATOM 675 O ARG A 74 -6.251 2.547 12.911 1.00 0.00 O ATOM 676 CB ARG A 74 -9.292 2.889 14.234 1.00 0.00 C ATOM 677 CG ARG A 74 -10.198 3.956 14.855 1.00 0.00 C ATOM 678 CD ARG A 74 -10.934 3.392 16.070 1.00 0.00 C ATOM 679 NE ARG A 74 -11.906 2.381 15.672 1.00 0.00 N ATOM 680 CZ ARG A 74 -12.672 1.782 16.572 1.00 0.00 C ATOM 681 NH1 ARG A 74 -12.570 2.098 17.840 1.00 0.00 N ATOM 682 NH2 ARG A 74 -13.533 0.880 16.208 1.00 0.00 N ATOM 683 HE ARG A 74 -11.999 2.126 14.668 1.00 0.00 H ATOM 684 HH12 ARG A 74 -13.173 1.626 18.544 1.00 0.00 H ATOM 685 HH11 ARG A 74 -11.886 2.821 18.142 1.00 0.00 H ATOM 686 HH22 ARG A 74 -14.131 0.414 16.920 1.00 0.00 H ATOM 687 HH21 ARG A 74 -13.625 0.624 15.204 1.00 0.00 H ATOM 688 H ARG A 74 -10.276 3.868 12.100 1.00 0.00 H ATOM 689 N LYS A 75 -7.932 1.706 11.673 1.00 0.00 N ATOM 690 CA LYS A 75 -7.092 0.704 11.021 1.00 0.00 C ATOM 691 C LYS A 75 -6.043 1.373 10.136 1.00 0.00 C ATOM 692 O LYS A 75 -4.878 0.974 10.132 1.00 0.00 O ATOM 693 CB LYS A 75 -7.967 -0.217 10.160 1.00 0.00 C ATOM 694 CG LYS A 75 -8.880 -1.088 11.042 1.00 0.00 C ATOM 695 CD LYS A 75 -8.108 -2.307 11.570 1.00 0.00 C ATOM 696 CE LYS A 75 -9.056 -3.197 12.376 1.00 0.00 C ATOM 697 NZ LYS A 75 -8.342 -4.440 12.787 1.00 0.00 N ATOM 698 HZ1 LYS A 75 -8.022 -4.951 11.940 1.00 0.00 H ATOM 699 HZ2 LYS A 75 -7.520 -4.189 13.372 1.00 0.00 H ATOM 700 HZ3 LYS A 75 -8.987 -5.044 13.335 1.00 0.00 H ATOM 701 H LYS A 75 -8.942 1.760 11.429 1.00 0.00 H ATOM 702 N MET A 76 -6.468 2.384 9.381 1.00 0.00 N ATOM 703 CA MET A 76 -5.565 3.107 8.480 1.00 0.00 C ATOM 704 C MET A 76 -5.205 4.463 9.077 1.00 0.00 C ATOM 705 O MET A 76 -6.084 5.238 9.452 1.00 0.00 O ATOM 706 CB MET A 76 -6.247 3.308 7.120 1.00 0.00 C ATOM 707 CG MET A 76 -6.967 2.017 6.717 1.00 0.00 C ATOM 708 SD MET A 76 -5.790 0.639 6.703 1.00 0.00 S ATOM 709 CE MET A 76 -5.401 0.671 4.937 1.00 0.00 C ATOM 710 H MET A 76 -7.467 2.668 9.432 1.00 0.00 H ATOM 711 N LYS A 77 -3.910 4.745 9.165 1.00 0.00 N ATOM 712 CA LYS A 77 -3.444 6.011 9.722 1.00 0.00 C ATOM 713 C LYS A 77 -3.429 7.098 8.652 1.00 0.00 C ATOM 714 O LYS A 77 -3.085 6.844 7.498 1.00 0.00 O ATOM 715 CB LYS A 77 -2.037 5.829 10.314 1.00 0.00 C ATOM 716 CG LYS A 77 -1.758 6.913 11.379 1.00 0.00 C ATOM 717 CD LYS A 77 -2.274 6.451 12.750 1.00 0.00 C ATOM 718 CE LYS A 77 -2.039 7.552 13.788 1.00 0.00 C ATOM 719 NZ LYS A 77 -2.592 7.121 15.105 1.00 0.00 N ATOM 720 HZ1 LYS A 77 -3.613 6.945 15.010 1.00 0.00 H ATOM 721 HZ2 LYS A 77 -2.116 6.248 15.411 1.00 0.00 H ATOM 722 HZ3 LYS A 77 -2.432 7.870 15.809 1.00 0.00 H ATOM 723 H LYS A 77 -3.214 4.049 8.830 1.00 0.00 H ATOM 724 N ASP A 78 -3.814 8.306 9.047 1.00 0.00 N ATOM 725 CA ASP A 78 -3.850 9.429 8.121 1.00 0.00 C ATOM 726 C ASP A 78 -2.539 9.518 7.349 1.00 0.00 C ATOM 727 O ASP A 78 -1.632 8.711 7.552 1.00 0.00 O ATOM 728 CB ASP A 78 -4.085 10.728 8.892 1.00 0.00 C ATOM 729 CG ASP A 78 -5.494 10.739 9.474 1.00 0.00 C ATOM 730 OD1 ASP A 78 -6.292 9.916 9.058 1.00 0.00 O ATOM 731 OD2 ASP A 78 -5.752 11.569 10.331 1.00 0.00 O ATOM 732 H ASP A 78 -4.095 8.453 10.037 1.00 0.00 H ATOM 733 N THR A 79 -2.449 10.501 6.464 1.00 0.00 N ATOM 734 CA THR A 79 -1.246 10.684 5.665 1.00 0.00 C ATOM 735 C THR A 79 -0.133 11.300 6.510 1.00 0.00 C ATOM 736 O THR A 79 1.006 11.424 6.060 1.00 0.00 O ATOM 737 CB THR A 79 -1.546 11.588 4.470 1.00 0.00 C ATOM 738 OG1 THR A 79 -1.997 12.851 4.938 1.00 0.00 O ATOM 739 CG2 THR A 79 -2.628 10.949 3.596 1.00 0.00 C ATOM 740 HG1 THR A 79 -2.192 13.438 4.165 1.00 0.00 H ATOM 741 H THR A 79 -3.251 11.152 6.339 1.00 0.00 H ATOM 742 N ASP A 80 -0.472 11.684 7.737 1.00 0.00 N ATOM 743 CA ASP A 80 0.505 12.289 8.637 1.00 0.00 C ATOM 744 C ASP A 80 1.590 11.283 9.004 1.00 0.00 C ATOM 745 O ASP A 80 2.649 11.654 9.509 1.00 0.00 O ATOM 746 CB ASP A 80 -0.191 12.777 9.910 1.00 0.00 C ATOM 747 CG ASP A 80 -1.037 14.009 9.604 1.00 0.00 C ATOM 748 OD1 ASP A 80 -0.833 14.600 8.556 1.00 0.00 O ATOM 749 OD2 ASP A 80 -1.878 14.345 10.422 1.00 0.00 O ATOM 750 H ASP A 80 -1.451 11.551 8.061 1.00 0.00 H ATOM 751 N SER A 81 1.322 10.007 8.742 1.00 0.00 N ATOM 752 CA SER A 81 2.285 8.957 9.048 1.00 0.00 C ATOM 753 C SER A 81 3.567 9.161 8.255 1.00 0.00 C ATOM 754 O SER A 81 4.619 8.637 8.613 1.00 0.00 O ATOM 755 CB SER A 81 1.692 7.590 8.709 1.00 0.00 C ATOM 756 OG SER A 81 0.480 7.417 9.426 1.00 0.00 O ATOM 757 HG SER A 81 -0.158 8.129 9.170 1.00 0.00 H ATOM 758 H SER A 81 0.410 9.754 8.311 1.00 0.00 H ATOM 759 N GLU A 82 3.474 9.931 7.178 1.00 0.00 N ATOM 760 CA GLU A 82 4.639 10.199 6.346 1.00 0.00 C ATOM 761 C GLU A 82 5.827 10.613 7.212 1.00 0.00 C ATOM 762 O GLU A 82 6.944 10.141 7.011 1.00 0.00 O ATOM 763 CB GLU A 82 4.311 11.310 5.344 1.00 0.00 C ATOM 764 CG GLU A 82 5.561 11.659 4.535 1.00 0.00 C ATOM 765 CD GLU A 82 5.193 12.580 3.377 1.00 0.00 C ATOM 766 OE1 GLU A 82 4.010 12.713 3.104 1.00 0.00 O ATOM 767 OE2 GLU A 82 6.098 13.129 2.771 1.00 0.00 O ATOM 768 H GLU A 82 2.556 10.349 6.925 1.00 0.00 H ATOM 769 N GLU A 83 5.576 11.495 8.175 1.00 0.00 N ATOM 770 CA GLU A 83 6.635 11.958 9.063 1.00 0.00 C ATOM 771 C GLU A 83 7.098 10.834 9.994 1.00 0.00 C ATOM 772 O GLU A 83 8.292 10.697 10.264 1.00 0.00 O ATOM 773 CB GLU A 83 6.134 13.140 9.896 1.00 0.00 C ATOM 774 CG GLU A 83 5.793 14.318 8.975 1.00 0.00 C ATOM 775 CD GLU A 83 7.054 14.839 8.292 1.00 0.00 C ATOM 776 OE1 GLU A 83 8.133 14.557 8.787 1.00 0.00 O ATOM 777 OE2 GLU A 83 6.922 15.508 7.282 1.00 0.00 O ATOM 778 H GLU A 83 4.610 11.860 8.296 1.00 0.00 H ATOM 779 N GLU A 84 6.148 10.039 10.478 1.00 0.00 N ATOM 780 CA GLU A 84 6.471 8.932 11.378 1.00 0.00 C ATOM 781 C GLU A 84 7.292 7.885 10.647 1.00 0.00 C ATOM 782 O GLU A 84 8.302 7.400 11.158 1.00 0.00 O ATOM 783 CB GLU A 84 5.185 8.301 11.908 1.00 0.00 C ATOM 784 CG GLU A 84 4.443 9.318 12.772 1.00 0.00 C ATOM 785 CD GLU A 84 5.251 9.623 14.029 1.00 0.00 C ATOM 786 OE1 GLU A 84 6.084 8.806 14.386 1.00 0.00 O ATOM 787 OE2 GLU A 84 5.031 10.671 14.612 1.00 0.00 O ATOM 788 H GLU A 84 5.157 10.208 10.212 1.00 0.00 H ATOM 789 N ILE A 85 6.864 7.556 9.438 1.00 0.00 N ATOM 790 CA ILE A 85 7.580 6.581 8.639 1.00 0.00 C ATOM 791 C ILE A 85 8.944 7.133 8.268 1.00 0.00 C ATOM 792 O ILE A 85 9.840 6.385 7.878 1.00 0.00 O ATOM 793 CB ILE A 85 6.813 6.251 7.359 1.00 0.00 C ATOM 794 CG1 ILE A 85 5.443 5.661 7.717 1.00 0.00 C ATOM 795 CG2 ILE A 85 7.613 5.233 6.537 1.00 0.00 C ATOM 796 CD1 ILE A 85 4.588 5.524 6.451 1.00 0.00 C ATOM 797 H ILE A 85 6.005 8.002 9.057 1.00 0.00 H ATOM 798 N ARG A 86 9.101 8.455 8.359 1.00 0.00 N ATOM 799 CA ARG A 86 10.370 9.037 7.986 1.00 0.00 C ATOM 800 C ARG A 86 11.487 8.444 8.828 1.00 0.00 C ATOM 801 O ARG A 86 12.540 8.078 8.311 1.00 0.00 O ATOM 802 CB ARG A 86 10.410 10.577 8.112 1.00 0.00 C ATOM 803 CG ARG A 86 11.672 11.005 7.356 1.00 0.00 C ATOM 804 CD ARG A 86 11.968 12.494 7.377 1.00 0.00 C ATOM 805 NE ARG A 86 13.083 12.627 6.449 1.00 0.00 N ATOM 806 CZ ARG A 86 14.294 12.331 6.866 1.00 0.00 C ATOM 807 NH1 ARG A 86 14.717 12.794 8.004 1.00 0.00 N ATOM 808 NH2 ARG A 86 15.105 11.670 6.096 1.00 0.00 N ATOM 809 HE ARG A 86 12.924 12.951 5.474 1.00 0.00 H ATOM 810 HH12 ARG A 86 15.675 12.561 8.336 1.00 0.00 H ATOM 811 HH11 ARG A 86 14.098 13.397 8.582 1.00 0.00 H ATOM 812 HH22 ARG A 86 16.063 11.437 6.428 1.00 0.00 H ATOM 813 HH21 ARG A 86 14.797 11.374 5.148 1.00 0.00 H ATOM 814 H ARG A 86 8.322 9.057 8.693 1.00 0.00 H ATOM 815 N GLU A 87 11.260 8.345 10.124 1.00 0.00 N ATOM 816 CA GLU A 87 12.270 7.792 11.006 1.00 0.00 C ATOM 817 C GLU A 87 12.494 6.315 10.680 1.00 0.00 C ATOM 818 O GLU A 87 13.597 5.795 10.831 1.00 0.00 O ATOM 819 CB GLU A 87 11.836 7.951 12.468 1.00 0.00 C ATOM 820 CG GLU A 87 13.000 7.577 13.389 1.00 0.00 C ATOM 821 CD GLU A 87 14.082 8.651 13.313 1.00 0.00 C ATOM 822 OE1 GLU A 87 13.843 9.660 12.671 1.00 0.00 O ATOM 823 OE2 GLU A 87 15.129 8.451 13.905 1.00 0.00 O ATOM 824 H GLU A 87 10.351 8.665 10.516 1.00 0.00 H ATOM 825 N ALA A 88 11.434 5.644 10.233 1.00 0.00 N ATOM 826 CA ALA A 88 11.517 4.226 9.891 1.00 0.00 C ATOM 827 C ALA A 88 12.303 3.987 8.596 1.00 0.00 C ATOM 828 O ALA A 88 12.683 2.858 8.300 1.00 0.00 O ATOM 829 CB ALA A 88 10.106 3.661 9.730 1.00 0.00 C ATOM 830 H ALA A 88 10.527 6.141 10.125 1.00 0.00 H ATOM 831 N PHE A 89 12.532 5.039 7.820 1.00 0.00 N ATOM 832 CA PHE A 89 13.258 4.893 6.555 1.00 0.00 C ATOM 833 C PHE A 89 14.649 4.294 6.785 1.00 0.00 C ATOM 834 O PHE A 89 15.062 3.356 6.103 1.00 0.00 O ATOM 835 CB PHE A 89 13.395 6.269 5.893 1.00 0.00 C ATOM 836 CG PHE A 89 14.304 6.169 4.688 1.00 0.00 C ATOM 837 CD1 PHE A 89 13.931 5.371 3.602 1.00 0.00 C ATOM 838 CD2 PHE A 89 15.514 6.876 4.655 1.00 0.00 C ATOM 839 CE1 PHE A 89 14.764 5.279 2.483 1.00 0.00 C ATOM 840 CE2 PHE A 89 16.347 6.783 3.537 1.00 0.00 C ATOM 841 CZ PHE A 89 15.972 5.985 2.450 1.00 0.00 C ATOM 842 H PHE A 89 12.193 5.977 8.113 1.00 0.00 H ATOM 843 N ARG A 90 15.355 4.869 7.739 1.00 0.00 N ATOM 844 CA ARG A 90 16.710 4.455 8.091 1.00 0.00 C ATOM 845 C ARG A 90 16.731 3.023 8.639 1.00 0.00 C ATOM 846 O ARG A 90 17.574 2.213 8.249 1.00 0.00 O ATOM 847 CB ARG A 90 17.174 5.451 9.145 1.00 0.00 C ATOM 848 CG ARG A 90 18.624 5.261 9.595 1.00 0.00 C ATOM 849 CD ARG A 90 18.861 6.343 10.653 1.00 0.00 C ATOM 850 NE ARG A 90 20.191 6.317 11.243 1.00 0.00 N ATOM 851 CZ ARG A 90 20.502 7.237 12.151 1.00 0.00 C ATOM 852 NH1 ARG A 90 19.650 8.195 12.413 1.00 0.00 N ATOM 853 NH2 ARG A 90 21.645 7.213 12.770 1.00 0.00 N ATOM 854 HE ARG A 90 20.883 5.594 10.960 1.00 0.00 H ATOM 855 HH12 ARG A 90 19.884 8.919 13.122 1.00 0.00 H ATOM 856 HH11 ARG A 90 18.739 8.232 11.913 1.00 0.00 H ATOM 857 HH22 ARG A 90 21.869 7.942 13.477 1.00 0.00 H ATOM 858 HH21 ARG A 90 22.335 6.465 12.558 1.00 0.00 H ATOM 859 H ARG A 90 14.926 5.656 8.266 1.00 0.00 H ATOM 860 N VAL A 91 15.802 2.717 9.539 1.00 0.00 N ATOM 861 CA VAL A 91 15.734 1.380 10.119 1.00 0.00 C ATOM 862 C VAL A 91 15.125 0.390 9.133 1.00 0.00 C ATOM 863 O VAL A 91 15.688 -0.675 8.877 1.00 0.00 O ATOM 864 CB VAL A 91 14.893 1.397 11.396 1.00 0.00 C ATOM 865 CG1 VAL A 91 14.847 -0.014 11.991 1.00 0.00 C ATOM 866 CG2 VAL A 91 15.518 2.360 12.410 1.00 0.00 C ATOM 867 H VAL A 91 15.115 3.440 9.834 1.00 0.00 H ATOM 868 N PHE A 92 13.963 0.746 8.594 1.00 0.00 N ATOM 869 CA PHE A 92 13.271 -0.119 7.646 1.00 0.00 C ATOM 870 C PHE A 92 14.120 -0.336 6.398 1.00 0.00 C ATOM 871 O PHE A 92 14.282 -1.465 5.940 1.00 0.00 O ATOM 872 CB PHE A 92 11.923 0.503 7.254 1.00 0.00 C ATOM 873 CG PHE A 92 11.034 -0.552 6.631 1.00 0.00 C ATOM 874 CD1 PHE A 92 10.460 -1.541 7.439 1.00 0.00 C ATOM 875 CD2 PHE A 92 10.776 -0.537 5.255 1.00 0.00 C ATOM 876 CE1 PHE A 92 9.630 -2.514 6.874 1.00 0.00 C ATOM 877 CE2 PHE A 92 9.945 -1.512 4.687 1.00 0.00 C ATOM 878 CZ PHE A 92 9.371 -2.500 5.498 1.00 0.00 C ATOM 879 H PHE A 92 13.539 1.660 8.854 1.00 0.00 H ATOM 880 N ASP A 93 14.665 0.753 5.852 1.00 0.00 N ATOM 881 CA ASP A 93 15.506 0.671 4.652 1.00 0.00 C ATOM 882 C ASP A 93 16.966 0.946 5.014 1.00 0.00 C ATOM 883 O ASP A 93 17.398 2.098 5.059 1.00 0.00 O ATOM 884 CB ASP A 93 15.025 1.700 3.616 1.00 0.00 C ATOM 885 CG ASP A 93 15.534 1.337 2.225 1.00 0.00 C ATOM 886 OD1 ASP A 93 15.373 0.191 1.836 1.00 0.00 O ATOM 887 OD2 ASP A 93 16.077 2.210 1.567 1.00 0.00 O ATOM 888 H ASP A 93 14.490 1.681 6.287 1.00 0.00 H ATOM 889 N LYS A 94 17.722 -0.120 5.268 1.00 0.00 N ATOM 890 CA LYS A 94 19.129 0.014 5.621 1.00 0.00 C ATOM 891 C LYS A 94 19.939 0.468 4.419 1.00 0.00 C ATOM 892 O LYS A 94 20.842 1.297 4.539 1.00 0.00 O ATOM 893 CB LYS A 94 19.675 -1.318 6.131 1.00 0.00 C ATOM 894 CG LYS A 94 19.031 -1.649 7.477 1.00 0.00 C ATOM 895 CD LYS A 94 19.599 -2.968 8.003 1.00 0.00 C ATOM 896 CE LYS A 94 18.885 -3.347 9.301 1.00 0.00 C ATOM 897 NZ LYS A 94 18.784 -2.149 10.181 1.00 0.00 N ATOM 898 HZ1 LYS A 94 19.739 -1.799 10.399 1.00 0.00 H ATOM 899 HZ2 LYS A 94 18.245 -1.406 9.692 1.00 0.00 H ATOM 900 HZ3 LYS A 94 18.298 -2.408 11.063 1.00 0.00 H ATOM 901 H LYS A 94 17.299 -1.069 5.213 1.00 0.00 H ATOM 902 N ASP A 95 19.618 -0.096 3.263 1.00 0.00 N ATOM 903 CA ASP A 95 20.329 0.242 2.045 1.00 0.00 C ATOM 904 C ASP A 95 20.151 1.716 1.699 1.00 0.00 C ATOM 905 O ASP A 95 21.093 2.376 1.260 1.00 0.00 O ATOM 906 CB ASP A 95 19.826 -0.627 0.891 1.00 0.00 C ATOM 907 CG ASP A 95 18.304 -0.594 0.846 1.00 0.00 C ATOM 908 OD1 ASP A 95 17.721 -0.017 1.747 1.00 0.00 O ATOM 909 OD2 ASP A 95 17.745 -1.150 -0.086 1.00 0.00 O ATOM 910 H ASP A 95 18.845 -0.791 3.229 1.00 0.00 H ATOM 911 N GLY A 96 18.944 2.228 1.899 1.00 0.00 N ATOM 912 CA GLY A 96 18.664 3.628 1.604 1.00 0.00 C ATOM 913 C GLY A 96 18.635 3.875 0.097 1.00 0.00 C ATOM 914 O GLY A 96 17.585 4.170 -0.474 1.00 0.00 O ATOM 915 H GLY A 96 18.186 1.622 2.272 1.00 0.00 H ATOM 916 N ASN A 97 19.796 3.744 -0.540 1.00 0.00 N ATOM 917 CA ASN A 97 19.899 3.948 -1.983 1.00 0.00 C ATOM 918 C ASN A 97 19.170 2.836 -2.726 1.00 0.00 C ATOM 919 O ASN A 97 18.871 2.959 -3.913 1.00 0.00 O ATOM 920 CB ASN A 97 21.372 3.968 -2.402 1.00 0.00 C ATOM 921 CG ASN A 97 22.038 5.251 -1.914 1.00 0.00 C ATOM 922 OD1 ASN A 97 21.359 6.239 -1.640 1.00 0.00 O ATOM 923 ND2 ASN A 97 23.335 5.287 -1.782 1.00 0.00 N ATOM 924 HD22 ASN A 97 23.905 4.449 -2.015 1.00 0.00 H ATOM 925 HD21 ASN A 97 23.799 6.154 -1.444 1.00 0.00 H ATOM 926 H ASN A 97 20.648 3.491 0.001 1.00 0.00 H ATOM 927 N GLY A 98 18.890 1.749 -2.014 1.00 0.00 N ATOM 928 CA GLY A 98 18.194 0.599 -2.594 1.00 0.00 C ATOM 929 C GLY A 98 16.802 0.459 -1.992 1.00 0.00 C ATOM 930 O GLY A 98 16.513 1.029 -0.943 1.00 0.00 O ATOM 931 H GLY A 98 19.174 1.714 -1.014 1.00 0.00 H ATOM 932 N TYR A 99 15.939 -0.292 -2.672 1.00 0.00 N ATOM 933 CA TYR A 99 14.562 -0.495 -2.207 1.00 0.00 C ATOM 934 C TYR A 99 14.355 -1.948 -1.787 1.00 0.00 C ATOM 935 O TYR A 99 15.066 -2.842 -2.242 1.00 0.00 O ATOM 936 CB TYR A 99 13.584 -0.144 -3.333 1.00 0.00 C ATOM 937 CG TYR A 99 14.060 1.107 -4.040 1.00 0.00 C ATOM 938 CD1 TYR A 99 14.285 2.281 -3.310 1.00 0.00 C ATOM 939 CD2 TYR A 99 14.286 1.089 -5.423 1.00 0.00 C ATOM 940 CE1 TYR A 99 14.732 3.436 -3.962 1.00 0.00 C ATOM 941 CE2 TYR A 99 14.736 2.243 -6.074 1.00 0.00 C ATOM 942 CZ TYR A 99 14.959 3.416 -5.344 1.00 0.00 C ATOM 943 OH TYR A 99 15.403 4.554 -5.986 1.00 0.00 O ATOM 944 HH TYR A 99 15.507 5.284 -5.326 1.00 0.00 H ATOM 945 H TYR A 99 16.248 -0.746 -3.555 1.00 0.00 H ATOM 946 N ILE A 100 13.385 -2.174 -0.906 1.00 0.00 N ATOM 947 CA ILE A 100 13.105 -3.523 -0.421 1.00 0.00 C ATOM 948 C ILE A 100 12.277 -4.308 -1.436 1.00 0.00 C ATOM 949 O ILE A 100 11.209 -3.866 -1.858 1.00 0.00 O ATOM 950 CB ILE A 100 12.349 -3.439 0.906 1.00 0.00 C ATOM 951 CG1 ILE A 100 13.252 -2.790 1.961 1.00 0.00 C ATOM 952 CG2 ILE A 100 11.958 -4.845 1.371 1.00 0.00 C ATOM 953 CD1 ILE A 100 12.427 -2.405 3.194 1.00 0.00 C ATOM 954 H ILE A 100 12.816 -1.377 -0.556 1.00 0.00 H ATOM 955 N SER A 101 12.777 -5.484 -1.811 1.00 0.00 N ATOM 956 CA SER A 101 12.078 -6.338 -2.765 1.00 0.00 C ATOM 957 C SER A 101 11.002 -7.149 -2.053 1.00 0.00 C ATOM 958 O SER A 101 10.955 -7.186 -0.824 1.00 0.00 O ATOM 959 CB SER A 101 13.069 -7.289 -3.440 1.00 0.00 C ATOM 960 OG SER A 101 13.259 -8.430 -2.613 1.00 0.00 O ATOM 961 HG SER A 101 13.900 -9.048 -3.047 1.00 0.00 H ATOM 962 H SER A 101 13.685 -5.800 -1.415 1.00 0.00 H ATOM 963 N ALA A 102 10.141 -7.798 -2.828 1.00 0.00 N ATOM 964 CA ALA A 102 9.073 -8.605 -2.251 1.00 0.00 C ATOM 965 C ALA A 102 9.655 -9.773 -1.455 1.00 0.00 C ATOM 966 O ALA A 102 9.132 -10.140 -0.403 1.00 0.00 O ATOM 967 CB ALA A 102 8.168 -9.140 -3.360 1.00 0.00 C ATOM 968 H ALA A 102 10.230 -7.730 -3.862 1.00 0.00 H ATOM 969 N ALA A 103 10.738 -10.354 -1.966 1.00 0.00 N ATOM 970 CA ALA A 103 11.378 -11.483 -1.294 1.00 0.00 C ATOM 971 C ALA A 103 11.904 -11.071 0.079 1.00 0.00 C ATOM 972 O ALA A 103 11.684 -11.763 1.072 1.00 0.00 O ATOM 973 CB ALA A 103 12.534 -12.007 -2.149 1.00 0.00 C ATOM 974 H ALA A 103 11.136 -9.998 -2.859 1.00 0.00 H ATOM 975 N GLU A 104 12.602 -9.941 0.125 1.00 0.00 N ATOM 976 CA GLU A 104 13.159 -9.444 1.379 1.00 0.00 C ATOM 977 C GLU A 104 12.049 -8.985 2.327 1.00 0.00 C ATOM 978 O GLU A 104 12.179 -9.092 3.545 1.00 0.00 O ATOM 979 CB GLU A 104 14.110 -8.278 1.106 1.00 0.00 C ATOM 980 CG GLU A 104 15.341 -8.785 0.351 1.00 0.00 C ATOM 981 CD GLU A 104 16.285 -7.624 0.055 1.00 0.00 C ATOM 982 OE1 GLU A 104 16.007 -6.527 0.509 1.00 0.00 O ATOM 983 OE2 GLU A 104 17.274 -7.849 -0.625 1.00 0.00 O ATOM 984 H GLU A 104 12.754 -9.400 -0.750 1.00 0.00 H ATOM 985 N LEU A 105 10.961 -8.461 1.757 1.00 0.00 N ATOM 986 CA LEU A 105 9.836 -7.971 2.558 1.00 0.00 C ATOM 987 C LEU A 105 9.223 -9.107 3.381 1.00 0.00 C ATOM 988 O LEU A 105 8.871 -8.936 4.547 1.00 0.00 O ATOM 989 CB LEU A 105 8.764 -7.388 1.626 1.00 0.00 C ATOM 990 CG LEU A 105 7.627 -6.759 2.446 1.00 0.00 C ATOM 991 CD1 LEU A 105 8.154 -5.536 3.223 1.00 0.00 C ATOM 992 CD2 LEU A 105 6.505 -6.320 1.499 1.00 0.00 C ATOM 993 H LEU A 105 10.911 -8.399 0.720 1.00 0.00 H ATOM 994 N ARG A 106 9.101 -10.256 2.737 1.00 0.00 N ATOM 995 CA ARG A 106 8.533 -11.463 3.338 1.00 0.00 C ATOM 996 C ARG A 106 9.290 -11.844 4.612 1.00 0.00 C ATOM 997 O ARG A 106 8.684 -12.191 5.627 1.00 0.00 O ATOM 998 CB ARG A 106 8.671 -12.552 2.281 1.00 0.00 C ATOM 999 CG ARG A 106 8.053 -13.897 2.679 1.00 0.00 C ATOM 1000 CD ARG A 106 8.301 -14.819 1.481 1.00 0.00 C ATOM 1001 NE ARG A 106 7.848 -16.190 1.674 1.00 0.00 N ATOM 1002 CZ ARG A 106 7.981 -17.050 0.671 1.00 0.00 C ATOM 1003 NH1 ARG A 106 8.429 -16.624 -0.484 1.00 0.00 N ATOM 1004 NH2 ARG A 106 7.665 -18.303 0.809 1.00 0.00 N ATOM 1005 HE ARG A 106 7.429 -16.489 2.578 1.00 0.00 H ATOM 1006 HH12 ARG A 106 8.537 -17.288 -1.277 1.00 0.00 H ATOM 1007 HH11 ARG A 106 8.676 -15.621 -0.608 1.00 0.00 H ATOM 1008 HH22 ARG A 106 7.777 -18.959 0.010 1.00 0.00 H ATOM 1009 HH21 ARG A 106 7.300 -18.650 1.719 1.00 0.00 H ATOM 1010 H ARG A 106 9.426 -10.304 1.750 1.00 0.00 H ATOM 1011 N HIS A 107 10.613 -11.769 4.558 1.00 0.00 N ATOM 1012 CA HIS A 107 11.424 -12.103 5.721 1.00 0.00 C ATOM 1013 C HIS A 107 11.035 -11.205 6.893 1.00 0.00 C ATOM 1014 O HIS A 107 10.919 -11.663 8.030 1.00 0.00 O ATOM 1015 CB HIS A 107 12.904 -11.915 5.390 1.00 0.00 C ATOM 1016 CG HIS A 107 13.742 -12.506 6.490 1.00 0.00 C ATOM 1017 ND1 HIS A 107 13.809 -13.872 6.711 1.00 0.00 N ATOM 1018 CD2 HIS A 107 14.555 -11.933 7.436 1.00 0.00 C ATOM 1019 CE1 HIS A 107 14.634 -14.076 7.752 1.00 0.00 C ATOM 1020 NE2 HIS A 107 15.116 -12.927 8.233 1.00 0.00 N ATOM 1021 H HIS A 107 11.076 -11.469 3.677 1.00 0.00 H ATOM 1022 N VAL A 108 10.829 -9.925 6.598 1.00 0.00 N ATOM 1023 CA VAL A 108 10.443 -8.957 7.620 1.00 0.00 C ATOM 1024 C VAL A 108 9.047 -9.266 8.156 1.00 0.00 C ATOM 1025 O VAL A 108 8.807 -9.210 9.362 1.00 0.00 O ATOM 1026 CB VAL A 108 10.459 -7.545 7.034 1.00 0.00 C ATOM 1027 CG1 VAL A 108 9.987 -6.549 8.097 1.00 0.00 C ATOM 1028 CG2 VAL A 108 11.880 -7.193 6.596 1.00 0.00 C ATOM 1029 H VAL A 108 10.946 -9.606 5.615 1.00 0.00 H ATOM 1030 N MET A 109 8.130 -9.586 7.247 1.00 0.00 N ATOM 1031 CA MET A 109 6.756 -9.899 7.629 1.00 0.00 C ATOM 1032 C MET A 109 6.714 -11.132 8.531 1.00 0.00 C ATOM 1033 O MET A 109 5.894 -11.215 9.446 1.00 0.00 O ATOM 1034 CB MET A 109 5.908 -10.147 6.373 1.00 0.00 C ATOM 1035 CG MET A 109 5.729 -8.839 5.591 1.00 0.00 C ATOM 1036 SD MET A 109 4.727 -7.672 6.552 1.00 0.00 S ATOM 1037 CE MET A 109 3.093 -8.351 6.154 1.00 0.00 C ATOM 1038 H MET A 109 8.398 -9.614 6.242 1.00 0.00 H ATOM 1039 N THR A 110 7.601 -12.088 8.265 1.00 0.00 N ATOM 1040 CA THR A 110 7.658 -13.317 9.055 1.00 0.00 C ATOM 1041 C THR A 110 7.971 -13.014 10.515 1.00 0.00 C ATOM 1042 O THR A 110 7.356 -13.575 11.422 1.00 0.00 O ATOM 1043 CB THR A 110 8.737 -14.253 8.498 1.00 0.00 C ATOM 1044 OG1 THR A 110 8.398 -14.623 7.170 1.00 0.00 O ATOM 1045 CG2 THR A 110 8.842 -15.514 9.370 1.00 0.00 C ATOM 1046 HG1 THR A 110 8.340 -13.811 6.607 1.00 0.00 H ATOM 1047 H THR A 110 8.268 -11.958 7.478 1.00 0.00 H ATOM 1048 N ASN A 111 8.937 -12.132 10.740 1.00 0.00 N ATOM 1049 CA ASN A 111 9.326 -11.774 12.099 1.00 0.00 C ATOM 1050 C ASN A 111 8.139 -11.182 12.853 1.00 0.00 C ATOM 1051 O ASN A 111 7.998 -11.386 14.060 1.00 0.00 O ATOM 1052 CB ASN A 111 10.476 -10.761 12.073 1.00 0.00 C ATOM 1053 CG ASN A 111 10.931 -10.453 13.497 1.00 0.00 C ATOM 1054 OD1 ASN A 111 10.905 -11.330 14.362 1.00 0.00 O ATOM 1055 ND2 ASN A 111 11.353 -9.254 13.795 1.00 0.00 N ATOM 1056 HD22 ASN A 111 11.375 -8.514 13.065 1.00 0.00 H ATOM 1057 HD21 ASN A 111 11.667 -9.039 14.763 1.00 0.00 H ATOM 1058 H ASN A 111 9.424 -11.689 9.935 1.00 0.00 H ATOM 1059 N LEU A 112 7.292 -10.442 12.138 1.00 0.00 N ATOM 1060 CA LEU A 112 6.122 -9.822 12.757 1.00 0.00 C ATOM 1061 C LEU A 112 5.202 -10.885 13.332 1.00 0.00 C ATOM 1062 O LEU A 112 4.724 -10.770 14.461 1.00 0.00 O ATOM 1063 CB LEU A 112 5.329 -9.040 11.706 1.00 0.00 C ATOM 1064 CG LEU A 112 4.193 -8.241 12.362 1.00 0.00 C ATOM 1065 CD1 LEU A 112 4.769 -7.106 13.229 1.00 0.00 C ATOM 1066 CD2 LEU A 112 3.318 -7.645 11.260 1.00 0.00 C ATOM 1067 H LEU A 112 7.467 -10.303 11.122 1.00 0.00 H ATOM 1068 N GLY A 113 4.945 -11.916 12.535 1.00 0.00 N ATOM 1069 CA GLY A 113 4.063 -12.991 12.962 1.00 0.00 C ATOM 1070 C GLY A 113 3.600 -13.830 11.774 1.00 0.00 C ATOM 1071 O GLY A 113 4.212 -13.814 10.708 1.00 0.00 O ATOM 1072 H GLY A 113 5.381 -11.955 11.592 1.00 0.00 H ATOM 1073 N GLU A 114 2.511 -14.564 11.975 1.00 0.00 N ATOM 1074 CA GLU A 114 1.951 -15.423 10.926 1.00 0.00 C ATOM 1075 C GLU A 114 0.425 -15.368 10.938 1.00 0.00 C ATOM 1076 O GLU A 114 -0.240 -16.292 10.468 1.00 0.00 O ATOM 1077 CB GLU A 114 2.398 -16.872 11.146 1.00 0.00 C ATOM 1078 CG GLU A 114 3.916 -16.982 10.977 1.00 0.00 C ATOM 1079 CD GLU A 114 4.312 -16.658 9.540 1.00 0.00 C ATOM 1080 OE1 GLU A 114 3.790 -17.299 8.643 1.00 0.00 O ATOM 1081 OE2 GLU A 114 5.120 -15.763 9.359 1.00 0.00 O ATOM 1082 H GLU A 114 2.042 -14.529 12.903 1.00 0.00 H ATOM 1083 N LYS A 115 -0.125 -14.287 11.479 1.00 0.00 N ATOM 1084 CA LYS A 115 -1.574 -14.132 11.545 1.00 0.00 C ATOM 1085 C LYS A 115 -2.162 -14.063 10.139 1.00 0.00 C ATOM 1086 O LYS A 115 -3.193 -14.669 9.854 1.00 0.00 O ATOM 1087 CB LYS A 115 -1.931 -12.856 12.305 1.00 0.00 C ATOM 1088 CG LYS A 115 -1.442 -12.968 13.751 1.00 0.00 C ATOM 1089 CD LYS A 115 -1.990 -11.799 14.577 1.00 0.00 C ATOM 1090 CE LYS A 115 -1.485 -10.469 14.008 1.00 0.00 C ATOM 1091 NZ LYS A 115 -1.638 -9.403 15.037 1.00 0.00 N ATOM 1092 HZ1 LYS A 115 -2.642 -9.313 15.295 1.00 0.00 H ATOM 1093 HZ2 LYS A 115 -1.083 -9.654 15.880 1.00 0.00 H ATOM 1094 HZ3 LYS A 115 -1.296 -8.500 14.652 1.00 0.00 H ATOM 1095 H LYS A 115 0.487 -13.539 11.862 1.00 0.00 H ATOM 1096 N LEU A 116 -1.494 -13.312 9.269 1.00 0.00 N ATOM 1097 CA LEU A 116 -1.945 -13.153 7.887 1.00 0.00 C ATOM 1098 C LEU A 116 -1.272 -14.194 6.995 1.00 0.00 C ATOM 1099 O LEU A 116 -0.424 -14.957 7.450 1.00 0.00 O ATOM 1100 CB LEU A 116 -1.595 -11.750 7.384 1.00 0.00 C ATOM 1101 CG LEU A 116 -2.121 -10.696 8.363 1.00 0.00 C ATOM 1102 CD1 LEU A 116 -1.762 -9.302 7.845 1.00 0.00 C ATOM 1103 CD2 LEU A 116 -3.646 -10.820 8.501 1.00 0.00 C ATOM 1104 H LEU A 116 -0.629 -12.825 9.579 1.00 0.00 H ATOM 1105 N THR A 117 -1.656 -14.221 5.721 1.00 0.00 N ATOM 1106 CA THR A 117 -1.068 -15.180 4.785 1.00 0.00 C ATOM 1107 C THR A 117 0.367 -14.782 4.434 1.00 0.00 C ATOM 1108 O THR A 117 0.765 -13.633 4.619 1.00 0.00 O ATOM 1109 CB THR A 117 -1.943 -15.224 3.504 1.00 0.00 C ATOM 1110 OG1 THR A 117 -2.552 -13.958 3.314 1.00 0.00 O ATOM 1111 CG2 THR A 117 -3.028 -16.297 3.619 1.00 0.00 C ATOM 1112 HG1 THR A 117 -3.111 -13.981 2.498 1.00 0.00 H ATOM 1113 H THR A 117 -2.381 -13.554 5.387 1.00 0.00 H ATOM 1114 N ASP A 118 1.133 -15.743 3.917 1.00 0.00 N ATOM 1115 CA ASP A 118 2.520 -15.497 3.518 1.00 0.00 C ATOM 1116 C ASP A 118 2.601 -15.090 2.046 1.00 0.00 C ATOM 1117 O ASP A 118 3.584 -14.489 1.609 1.00 0.00 O ATOM 1118 CB ASP A 118 3.357 -16.758 3.764 1.00 0.00 C ATOM 1119 CG ASP A 118 3.202 -17.202 5.218 1.00 0.00 C ATOM 1120 OD1 ASP A 118 3.410 -16.380 6.094 1.00 0.00 O ATOM 1121 OD2 ASP A 118 2.874 -18.358 5.432 1.00 0.00 O ATOM 1122 H ASP A 118 0.734 -16.695 3.794 1.00 0.00 H ATOM 1123 N GLU A 119 1.575 -15.462 1.281 1.00 0.00 N ATOM 1124 CA GLU A 119 1.545 -15.171 -0.154 1.00 0.00 C ATOM 1125 C GLU A 119 0.933 -13.795 -0.453 1.00 0.00 C ATOM 1126 O GLU A 119 1.220 -13.213 -1.497 1.00 0.00 O ATOM 1127 CB GLU A 119 0.781 -16.286 -0.881 1.00 0.00 C ATOM 1128 CG GLU A 119 0.815 -16.041 -2.389 1.00 0.00 C ATOM 1129 CD GLU A 119 0.184 -17.223 -3.121 1.00 0.00 C ATOM 1130 OE1 GLU A 119 -0.487 -18.010 -2.469 1.00 0.00 O ATOM 1131 OE2 GLU A 119 0.388 -17.330 -4.318 1.00 0.00 O ATOM 1132 H GLU A 119 0.777 -15.971 1.713 1.00 0.00 H ATOM 1133 N GLU A 120 0.079 -13.288 0.438 1.00 0.00 N ATOM 1134 CA GLU A 120 -0.570 -11.989 0.230 1.00 0.00 C ATOM 1135 C GLU A 120 0.356 -10.984 -0.479 1.00 0.00 C ATOM 1136 O GLU A 120 0.027 -10.489 -1.555 1.00 0.00 O ATOM 1137 CB GLU A 120 -0.996 -11.385 1.602 1.00 0.00 C ATOM 1138 CG GLU A 120 -0.305 -12.106 2.763 1.00 0.00 C ATOM 1139 CD GLU A 120 1.203 -11.903 2.717 1.00 0.00 C ATOM 1140 OE1 GLU A 120 1.849 -12.578 1.930 1.00 0.00 O ATOM 1141 OE2 GLU A 120 1.697 -11.079 3.474 1.00 0.00 O ATOM 1142 H GLU A 120 -0.132 -13.827 1.302 1.00 0.00 H ATOM 1143 N VAL A 121 1.480 -10.662 0.146 1.00 0.00 N ATOM 1144 CA VAL A 121 2.413 -9.690 -0.418 1.00 0.00 C ATOM 1145 C VAL A 121 3.074 -10.204 -1.693 1.00 0.00 C ATOM 1146 O VAL A 121 3.274 -9.443 -2.631 1.00 0.00 O ATOM 1147 CB VAL A 121 3.502 -9.359 0.605 1.00 0.00 C ATOM 1148 CG1 VAL A 121 2.863 -8.844 1.920 1.00 0.00 C ATOM 1149 CG2 VAL A 121 4.328 -10.621 0.878 1.00 0.00 C ATOM 1150 H VAL A 121 1.702 -11.111 1.057 1.00 0.00 H ATOM 1151 N ASP A 122 3.439 -11.481 -1.719 1.00 0.00 N ATOM 1152 CA ASP A 122 4.113 -12.046 -2.886 1.00 0.00 C ATOM 1153 C ASP A 122 3.283 -11.864 -4.155 1.00 0.00 C ATOM 1154 O ASP A 122 3.807 -11.452 -5.192 1.00 0.00 O ATOM 1155 CB ASP A 122 4.365 -13.537 -2.658 1.00 0.00 C ATOM 1156 CG ASP A 122 5.415 -13.731 -1.568 1.00 0.00 C ATOM 1157 OD1 ASP A 122 6.290 -12.887 -1.459 1.00 0.00 O ATOM 1158 OD2 ASP A 122 5.321 -14.712 -0.847 1.00 0.00 O ATOM 1159 H ASP A 122 3.242 -12.087 -0.897 1.00 0.00 H ATOM 1160 N GLU A 123 1.996 -12.181 -4.076 1.00 0.00 N ATOM 1161 CA GLU A 123 1.109 -12.059 -5.233 1.00 0.00 C ATOM 1162 C GLU A 123 0.531 -10.648 -5.368 1.00 0.00 C ATOM 1163 O GLU A 123 0.413 -10.128 -6.478 1.00 0.00 O ATOM 1164 CB GLU A 123 -0.037 -13.061 -5.113 1.00 0.00 C ATOM 1165 CG GLU A 123 0.489 -14.490 -5.294 1.00 0.00 C ATOM 1166 CD GLU A 123 0.933 -14.705 -6.738 1.00 0.00 C ATOM 1167 OE1 GLU A 123 0.474 -13.966 -7.594 1.00 0.00 O ATOM 1168 OE2 GLU A 123 1.718 -15.609 -6.967 1.00 0.00 O ATOM 1169 H GLU A 123 1.610 -12.523 -3.173 1.00 0.00 H ATOM 1170 N MET A 124 0.159 -10.040 -4.243 1.00 0.00 N ATOM 1171 CA MET A 124 -0.416 -8.698 -4.278 1.00 0.00 C ATOM 1172 C MET A 124 0.572 -7.729 -4.900 1.00 0.00 C ATOM 1173 O MET A 124 0.218 -6.934 -5.774 1.00 0.00 O ATOM 1174 CB MET A 124 -0.767 -8.232 -2.863 1.00 0.00 C ATOM 1175 CG MET A 124 -1.352 -6.812 -2.908 1.00 0.00 C ATOM 1176 SD MET A 124 -0.006 -5.602 -2.938 1.00 0.00 S ATOM 1177 CE MET A 124 0.275 -5.519 -1.155 1.00 0.00 C ATOM 1178 H MET A 124 0.279 -10.525 -3.331 1.00 0.00 H ATOM 1179 N ILE A 125 1.814 -7.808 -4.458 1.00 0.00 N ATOM 1180 CA ILE A 125 2.850 -6.940 -4.990 1.00 0.00 C ATOM 1181 C ILE A 125 3.164 -7.308 -6.427 1.00 0.00 C ATOM 1182 O ILE A 125 3.812 -6.540 -7.138 1.00 0.00 O ATOM 1183 CB ILE A 125 4.134 -7.049 -4.155 1.00 0.00 C ATOM 1184 CG1 ILE A 125 3.893 -6.442 -2.771 1.00 0.00 C ATOM 1185 CG2 ILE A 125 5.276 -6.305 -4.860 1.00 0.00 C ATOM 1186 CD1 ILE A 125 5.060 -6.799 -1.854 1.00 0.00 C ATOM 1187 H ILE A 125 2.053 -8.500 -3.720 1.00 0.00 H ATOM 1188 N ARG A 126 2.749 -8.503 -6.857 1.00 0.00 N ATOM 1189 CA ARG A 126 3.066 -8.924 -8.211 1.00 0.00 C ATOM 1190 C ARG A 126 2.152 -8.281 -9.237 1.00 0.00 C ATOM 1191 O ARG A 126 2.617 -7.740 -10.237 1.00 0.00 O ATOM 1192 CB ARG A 126 3.009 -10.459 -8.400 1.00 0.00 C ATOM 1193 CG ARG A 126 3.874 -10.748 -9.632 1.00 0.00 C ATOM 1194 CD ARG A 126 3.798 -12.174 -10.141 1.00 0.00 C ATOM 1195 NE ARG A 126 4.971 -12.321 -11.000 1.00 0.00 N ATOM 1196 CZ ARG A 126 5.133 -13.288 -11.884 1.00 0.00 C ATOM 1197 NH1 ARG A 126 4.154 -14.080 -12.245 1.00 0.00 N ATOM 1198 NH2 ARG A 126 6.293 -13.370 -12.468 1.00 0.00 N ATOM 1199 HE ARG A 126 5.730 -11.616 -10.909 1.00 0.00 H ATOM 1200 HH12 ARG A 126 4.323 -14.830 -12.945 1.00 0.00 H ATOM 1201 HH11 ARG A 126 3.207 -13.959 -11.832 1.00 0.00 H ATOM 1202 HH22 ARG A 126 6.469 -14.115 -13.172 1.00 0.00 H ATOM 1203 HH21 ARG A 126 7.044 -12.691 -12.231 1.00 0.00 H ATOM 1204 H ARG A 126 2.204 -9.126 -6.228 1.00 0.00 H ATOM 1205 N GLU A 127 0.847 -8.361 -9.012 1.00 0.00 N ATOM 1206 CA GLU A 127 -0.095 -7.799 -9.971 1.00 0.00 C ATOM 1207 C GLU A 127 -0.359 -6.328 -9.674 1.00 0.00 C ATOM 1208 O GLU A 127 0.022 -5.454 -10.452 1.00 0.00 O ATOM 1209 CB GLU A 127 -1.407 -8.586 -9.937 1.00 0.00 C ATOM 1210 CG GLU A 127 -2.298 -8.144 -11.099 1.00 0.00 C ATOM 1211 CD GLU A 127 -1.721 -8.651 -12.417 1.00 0.00 C ATOM 1212 OE1 GLU A 127 -0.764 -9.406 -12.372 1.00 0.00 O ATOM 1213 OE2 GLU A 127 -2.246 -8.279 -13.454 1.00 0.00 O ATOM 1214 H GLU A 127 0.496 -8.825 -8.150 1.00 0.00 H ATOM 1215 N ALA A 128 -1.013 -6.062 -8.549 1.00 0.00 N ATOM 1216 CA ALA A 128 -1.328 -4.690 -8.158 1.00 0.00 C ATOM 1217 C ALA A 128 -0.197 -3.723 -8.520 1.00 0.00 C ATOM 1218 O ALA A 128 -0.433 -2.531 -8.721 1.00 0.00 O ATOM 1219 CB ALA A 128 -1.580 -4.649 -6.652 1.00 0.00 C ATOM 1220 H ALA A 128 -1.307 -6.847 -7.933 1.00 0.00 H ATOM 1221 N ASP A 129 1.028 -4.239 -8.603 1.00 0.00 N ATOM 1222 CA ASP A 129 2.182 -3.401 -8.940 1.00 0.00 C ATOM 1223 C ASP A 129 2.377 -3.317 -10.451 1.00 0.00 C ATOM 1224 O ASP A 129 2.427 -4.335 -11.143 1.00 0.00 O ATOM 1225 CB ASP A 129 3.452 -3.956 -8.293 1.00 0.00 C ATOM 1226 CG ASP A 129 4.581 -2.938 -8.420 1.00 0.00 C ATOM 1227 OD1 ASP A 129 4.310 -1.759 -8.254 1.00 0.00 O ATOM 1228 OD2 ASP A 129 5.698 -3.349 -8.689 1.00 0.00 O ATOM 1229 H ASP A 129 1.168 -5.254 -8.426 1.00 0.00 H ATOM 1230 N ILE A 130 2.482 -2.091 -10.950 1.00 0.00 N ATOM 1231 CA ILE A 130 2.673 -1.864 -12.378 1.00 0.00 C ATOM 1232 C ILE A 130 4.043 -2.391 -12.826 1.00 0.00 C ATOM 1233 O ILE A 130 4.153 -3.027 -13.875 1.00 0.00 O ATOM 1234 CB ILE A 130 2.548 -0.349 -12.709 1.00 0.00 C ATOM 1235 CG1 ILE A 130 2.873 0.497 -11.451 1.00 0.00 C ATOM 1236 CG2 ILE A 130 1.137 -0.022 -13.220 1.00 0.00 C ATOM 1237 CD1 ILE A 130 1.642 0.664 -10.545 1.00 0.00 C ATOM 1238 H ILE A 130 2.427 -1.274 -10.308 1.00 0.00 H ATOM 1239 N ASP A 131 5.080 -2.123 -12.031 1.00 0.00 N ATOM 1240 CA ASP A 131 6.422 -2.576 -12.369 1.00 0.00 C ATOM 1241 C ASP A 131 6.485 -4.097 -12.340 1.00 0.00 C ATOM 1242 O ASP A 131 7.120 -4.725 -13.190 1.00 0.00 O ATOM 1243 CB ASP A 131 7.430 -1.987 -11.381 1.00 0.00 C ATOM 1244 CG ASP A 131 7.555 -0.485 -11.618 1.00 0.00 C ATOM 1245 OD1 ASP A 131 7.837 -0.105 -12.742 1.00 0.00 O ATOM 1246 OD2 ASP A 131 7.356 0.263 -10.675 1.00 0.00 O ATOM 1247 H ASP A 131 4.928 -1.582 -11.156 1.00 0.00 H ATOM 1248 N GLY A 132 5.824 -4.683 -11.350 1.00 0.00 N ATOM 1249 CA GLY A 132 5.806 -6.132 -11.204 1.00 0.00 C ATOM 1250 C GLY A 132 7.125 -6.621 -10.629 1.00 0.00 C ATOM 1251 O GLY A 132 7.303 -7.813 -10.385 1.00 0.00 O ATOM 1252 H GLY A 132 5.308 -4.096 -10.664 1.00 0.00 H ATOM 1253 N ASP A 133 8.048 -5.685 -10.407 1.00 0.00 N ATOM 1254 CA ASP A 133 9.352 -6.027 -9.848 1.00 0.00 C ATOM 1255 C ASP A 133 9.298 -5.967 -8.331 1.00 0.00 C ATOM 1256 O ASP A 133 10.234 -6.382 -7.650 1.00 0.00 O ATOM 1257 CB ASP A 133 10.417 -5.053 -10.356 1.00 0.00 C ATOM 1258 CG ASP A 133 10.106 -3.634 -9.883 1.00 0.00 C ATOM 1259 OD1 ASP A 133 9.058 -3.440 -9.283 1.00 0.00 O ATOM 1260 OD2 ASP A 133 10.923 -2.760 -10.126 1.00 0.00 O ATOM 1261 H ASP A 133 7.835 -4.693 -10.636 1.00 0.00 H ATOM 1262 N GLY A 134 8.189 -5.453 -7.807 1.00 0.00 N ATOM 1263 CA GLY A 134 8.026 -5.354 -6.362 1.00 0.00 C ATOM 1264 C GLY A 134 9.149 -4.541 -5.735 1.00 0.00 C ATOM 1265 O GLY A 134 10.316 -4.937 -5.768 1.00 0.00 O ATOM 1266 H GLY A 134 7.430 -5.118 -8.435 1.00 0.00 H ATOM 1267 N GLN A 135 8.784 -3.403 -5.161 1.00 0.00 N ATOM 1268 CA GLN A 135 9.754 -2.525 -4.517 1.00 0.00 C ATOM 1269 C GLN A 135 9.041 -1.578 -3.556 1.00 0.00 C ATOM 1270 O GLN A 135 8.016 -0.990 -3.901 1.00 0.00 O ATOM 1271 CB GLN A 135 10.519 -1.728 -5.578 1.00 0.00 C ATOM 1272 CG GLN A 135 9.525 -1.023 -6.500 1.00 0.00 C ATOM 1273 CD GLN A 135 10.258 -0.358 -7.660 1.00 0.00 C ATOM 1274 OE1 GLN A 135 11.486 -0.279 -7.660 1.00 0.00 O ATOM 1275 NE2 GLN A 135 9.569 0.121 -8.661 1.00 0.00 N ATOM 1276 HE22 GLN A 135 8.531 0.053 -8.658 1.00 0.00 H ATOM 1277 HE21 GLN A 135 10.058 0.571 -9.461 1.00 0.00 H ATOM 1278 H GLN A 135 7.781 -3.130 -5.170 1.00 0.00 H ATOM 1279 N VAL A 136 9.586 -1.444 -2.342 1.00 0.00 N ATOM 1280 CA VAL A 136 9.002 -0.576 -1.314 1.00 0.00 C ATOM 1281 C VAL A 136 10.033 0.447 -0.846 1.00 0.00 C ATOM 1282 O VAL A 136 11.203 0.113 -0.636 1.00 0.00 O ATOM 1283 CB VAL A 136 8.534 -1.416 -0.116 1.00 0.00 C ATOM 1284 CG1 VAL A 136 8.171 -0.500 1.061 1.00 0.00 C ATOM 1285 CG2 VAL A 136 7.303 -2.234 -0.515 1.00 0.00 C ATOM 1286 H VAL A 136 10.453 -1.973 -2.119 1.00 0.00 H ATOM 1287 N ASN A 137 9.591 1.693 -0.692 1.00 0.00 N ATOM 1288 CA ASN A 137 10.477 2.766 -0.252 1.00 0.00 C ATOM 1289 C ASN A 137 9.682 3.834 0.500 1.00 0.00 C ATOM 1290 O ASN A 137 8.453 3.788 0.542 1.00 0.00 O ATOM 1291 CB ASN A 137 11.164 3.393 -1.470 1.00 0.00 C ATOM 1292 CG ASN A 137 12.390 4.188 -1.033 1.00 0.00 C ATOM 1293 OD1 ASN A 137 12.736 4.195 0.147 1.00 0.00 O ATOM 1294 ND2 ASN A 137 13.072 4.857 -1.922 1.00 0.00 N ATOM 1295 HD22 ASN A 137 12.776 4.848 -2.919 1.00 0.00 H ATOM 1296 HD21 ASN A 137 13.912 5.399 -1.634 1.00 0.00 H ATOM 1297 H ASN A 137 8.593 1.907 -0.890 1.00 0.00 H ATOM 1298 N TYR A 138 10.393 4.792 1.091 1.00 0.00 N ATOM 1299 CA TYR A 138 9.750 5.871 1.839 1.00 0.00 C ATOM 1300 C TYR A 138 8.714 6.597 0.980 1.00 0.00 C ATOM 1301 O TYR A 138 7.598 6.864 1.429 1.00 0.00 O ATOM 1302 CB TYR A 138 10.815 6.873 2.300 1.00 0.00 C ATOM 1303 CG TYR A 138 10.154 8.131 2.819 1.00 0.00 C ATOM 1304 CD1 TYR A 138 9.669 8.187 4.129 1.00 0.00 C ATOM 1305 CD2 TYR A 138 10.018 9.236 1.971 1.00 0.00 C ATOM 1306 CE1 TYR A 138 9.048 9.353 4.593 1.00 0.00 C ATOM 1307 CE2 TYR A 138 9.400 10.400 2.434 1.00 0.00 C ATOM 1308 CZ TYR A 138 8.914 10.459 3.744 1.00 0.00 C ATOM 1309 OH TYR A 138 8.304 11.608 4.201 1.00 0.00 O ATOM 1310 HH TYR A 138 7.511 11.804 3.642 1.00 0.00 H ATOM 1311 H TYR A 138 11.430 4.772 1.019 1.00 0.00 H ATOM 1312 N GLU A 139 9.098 6.931 -0.242 1.00 0.00 N ATOM 1313 CA GLU A 139 8.203 7.647 -1.141 1.00 0.00 C ATOM 1314 C GLU A 139 6.921 6.848 -1.374 1.00 0.00 C ATOM 1315 O GLU A 139 5.821 7.401 -1.344 1.00 0.00 O ATOM 1316 CB GLU A 139 8.908 7.900 -2.484 1.00 0.00 C ATOM 1317 CG GLU A 139 10.168 8.756 -2.258 1.00 0.00 C ATOM 1318 CD GLU A 139 11.351 7.875 -1.851 1.00 0.00 C ATOM 1319 OE1 GLU A 139 11.143 6.689 -1.654 1.00 0.00 O ATOM 1320 OE2 GLU A 139 12.444 8.403 -1.735 1.00 0.00 O ATOM 1321 H GLU A 139 10.054 6.678 -0.565 1.00 0.00 H ATOM 1322 N GLU A 140 7.070 5.548 -1.604 1.00 0.00 N ATOM 1323 CA GLU A 140 5.919 4.681 -1.844 1.00 0.00 C ATOM 1324 C GLU A 140 5.113 4.442 -0.566 1.00 0.00 C ATOM 1325 O GLU A 140 3.908 4.208 -0.621 1.00 0.00 O ATOM 1326 CB GLU A 140 6.385 3.341 -2.405 1.00 0.00 C ATOM 1327 CG GLU A 140 6.943 3.551 -3.813 1.00 0.00 C ATOM 1328 CD GLU A 140 7.448 2.226 -4.368 1.00 0.00 C ATOM 1329 OE1 GLU A 140 7.215 1.215 -3.729 1.00 0.00 O ATOM 1330 OE2 GLU A 140 8.064 2.243 -5.421 1.00 0.00 O ATOM 1331 H GLU A 140 8.026 5.139 -1.613 1.00 0.00 H ATOM 1332 N PHE A 141 5.789 4.480 0.577 1.00 0.00 N ATOM 1333 CA PHE A 141 5.125 4.244 1.858 1.00 0.00 C ATOM 1334 C PHE A 141 3.956 5.209 2.044 1.00 0.00 C ATOM 1335 O PHE A 141 2.877 4.809 2.481 1.00 0.00 O ATOM 1336 CB PHE A 141 6.147 4.408 3.009 1.00 0.00 C ATOM 1337 CG PHE A 141 6.550 3.051 3.569 1.00 0.00 C ATOM 1338 CD1 PHE A 141 5.624 2.302 4.306 1.00 0.00 C ATOM 1339 CD2 PHE A 141 7.840 2.550 3.352 1.00 0.00 C ATOM 1340 CE1 PHE A 141 5.990 1.054 4.829 1.00 0.00 C ATOM 1341 CE2 PHE A 141 8.203 1.304 3.875 1.00 0.00 C ATOM 1342 CZ PHE A 141 7.279 0.557 4.613 1.00 0.00 C ATOM 1343 H PHE A 141 6.809 4.681 0.560 1.00 0.00 H ATOM 1344 N VAL A 142 4.174 6.474 1.719 1.00 0.00 N ATOM 1345 CA VAL A 142 3.123 7.471 1.866 1.00 0.00 C ATOM 1346 C VAL A 142 1.907 7.086 1.027 1.00 0.00 C ATOM 1347 O VAL A 142 0.773 7.136 1.504 1.00 0.00 O ATOM 1348 CB VAL A 142 3.645 8.830 1.412 1.00 0.00 C ATOM 1349 CG1 VAL A 142 2.530 9.868 1.522 1.00 0.00 C ATOM 1350 CG2 VAL A 142 4.820 9.238 2.297 1.00 0.00 C ATOM 1351 H VAL A 142 5.106 6.758 1.355 1.00 0.00 H ATOM 1352 N GLN A 143 2.147 6.698 -0.222 1.00 0.00 N ATOM 1353 CA GLN A 143 1.061 6.302 -1.115 1.00 0.00 C ATOM 1354 C GLN A 143 0.437 4.978 -0.671 1.00 0.00 C ATOM 1355 O GLN A 143 -0.741 4.728 -0.920 1.00 0.00 O ATOM 1356 CB GLN A 143 1.581 6.165 -2.551 1.00 0.00 C ATOM 1357 CG GLN A 143 0.437 5.729 -3.474 1.00 0.00 C ATOM 1358 CD GLN A 143 0.895 5.763 -4.928 1.00 0.00 C ATOM 1359 OE1 GLN A 143 2.070 5.542 -5.215 1.00 0.00 O ATOM 1360 NE2 GLN A 143 0.028 6.019 -5.869 1.00 0.00 N ATOM 1361 HE22 GLN A 143 -0.965 6.206 -5.624 1.00 0.00 H ATOM 1362 HE21 GLN A 143 0.330 6.036 -6.864 1.00 0.00 H ATOM 1363 H GLN A 143 3.127 6.676 -0.570 1.00 0.00 H ATOM 1364 N MET A 144 1.234 4.129 -0.030 1.00 0.00 N ATOM 1365 CA MET A 144 0.737 2.832 0.418 1.00 0.00 C ATOM 1366 C MET A 144 -0.428 3.003 1.388 1.00 0.00 C ATOM 1367 O MET A 144 -1.425 2.290 1.299 1.00 0.00 O ATOM 1368 CB MET A 144 1.862 2.043 1.095 1.00 0.00 C ATOM 1369 CG MET A 144 1.347 0.658 1.498 1.00 0.00 C ATOM 1370 SD MET A 144 2.710 -0.328 2.168 1.00 0.00 S ATOM 1371 CE MET A 144 2.519 0.158 3.901 1.00 0.00 C ATOM 1372 H MET A 144 2.223 4.392 0.154 1.00 0.00 H ATOM 1373 N MET A 145 -0.299 3.955 2.314 1.00 0.00 N ATOM 1374 CA MET A 145 -1.354 4.218 3.302 1.00 0.00 C ATOM 1375 C MET A 145 -1.938 5.613 3.110 1.00 0.00 C ATOM 1376 O MET A 145 -1.210 6.575 2.859 1.00 0.00 O ATOM 1377 CB MET A 145 -0.793 4.091 4.720 1.00 0.00 C ATOM 1378 CG MET A 145 -0.447 2.626 5.002 1.00 0.00 C ATOM 1379 SD MET A 145 0.054 2.432 6.735 1.00 0.00 S ATOM 1380 CE MET A 145 1.684 3.209 6.610 1.00 0.00 C ATOM 1381 H MET A 145 0.570 4.525 2.337 1.00 0.00 H ATOM 1382 N THR A 146 -3.259 5.715 3.232 1.00 0.00 N ATOM 1383 CA THR A 146 -3.936 6.995 3.071 1.00 0.00 C ATOM 1384 C THR A 146 -5.347 6.935 3.652 1.00 0.00 C ATOM 1385 O THR A 146 -6.325 6.817 2.913 1.00 0.00 O ATOM 1386 CB THR A 146 -4.013 7.355 1.585 1.00 0.00 C ATOM 1387 OG1 THR A 146 -2.702 7.381 1.037 1.00 0.00 O ATOM 1388 CG2 THR A 146 -4.665 8.728 1.418 1.00 0.00 C ATOM 1389 HG1 THR A 146 -2.285 6.489 1.141 1.00 0.00 H ATOM 1390 H THR A 146 -3.819 4.865 3.446 1.00 0.00 H ATOM 1391 N ALA A 147 -5.454 7.016 4.977 1.00 0.00 N ATOM 1392 CA ALA A 147 -6.760 6.969 5.623 1.00 0.00 C ATOM 1393 C ALA A 147 -7.592 8.191 5.235 1.00 0.00 C ATOM 1394 O ALA A 147 -8.821 8.137 5.227 1.00 0.00 O ATOM 1395 CB ALA A 147 -6.590 6.904 7.149 1.00 0.00 C ATOM 1396 H ALA A 147 -4.596 7.114 5.557 1.00 0.00 H ATOM 1397 N LYS A 148 -6.911 9.295 4.920 1.00 0.00 N ATOM 1398 CA LYS A 148 -7.593 10.535 4.533 1.00 0.00 C ATOM 1399 C LYS A 148 -6.794 11.280 3.468 1.00 0.00 C ATOM 1400 O LYS A 148 -7.375 12.124 2.804 1.00 0.00 O ATOM 1401 CB LYS A 148 -7.772 11.438 5.756 1.00 0.00 C ATOM 1402 CG LYS A 148 -8.827 10.840 6.689 1.00 0.00 C ATOM 1403 CD LYS A 148 -9.000 11.740 7.914 1.00 0.00 C ATOM 1404 CE LYS A 148 -9.982 11.091 8.891 1.00 0.00 C ATOM 1405 NZ LYS A 148 -11.297 10.890 8.219 1.00 0.00 N ATOM 1406 OXT LYS A 148 -5.616 10.996 3.332 1.00 0.00 O ATOM 1407 HZ1 LYS A 148 -11.672 11.810 7.911 1.00 0.00 H ATOM 1408 HZ2 LYS A 148 -11.172 10.271 7.392 1.00 0.00 H ATOM 1409 HZ3 LYS A 148 -11.962 10.449 8.886 1.00 0.00 H ATOM 1410 H LYS A 148 -5.872 9.276 4.950 1.00 0.00 H TER 1411 LYS A 148 HETATM 1412 CA CA A 1 -24.507 -2.012 -0.377 1.00 0.00 CA HETATM 1413 CA CA A 2 -21.401 -4.258 11.825 1.00 0.00 CA HETATM 1414 CA CA A 3 15.602 -2.962 0.994 1.00 0.00 CA HETATM 1415 CA CA A 4 7.066 -0.838 -7.416 1.00 0.00 CA HETATM 1416 C1 UNN A 5 -8.253 -3.339 4.635 1.00 -0.04 C HETATM 1417 C2 UNN A 5 -8.646 -3.904 5.844 1.00 -0.04 C HETATM 1418 C3 UNN A 5 -9.718 -4.791 5.867 1.00 0.11 C HETATM 1419 C4 UNN A 5 -10.392 -5.109 4.694 1.00 0.11 C HETATM 1420 C5 UNN A 5 -10.000 -4.542 3.484 1.00 -0.05 C HETATM 1421 C6 UNN A 5 -8.925 -3.657 3.458 1.00 -0.08 C HETATM 1422 H25 UNN A 5 -8.611 -3.215 2.519 1.00 0.04 H HETATM 1423 H2 UNN A 5 -10.527 -4.788 2.569 1.00 0.05 H HETATM 1424 O10 UNN A 5 -11.434 -5.978 4.793 1.00 -0.34 O HETATM 1425 H26 UNN A 5 -11.536 -6.247 5.699 1.00 0.24 H HETATM 1426 O12 UNN A 5 -10.153 -5.384 7.012 1.00 -0.33 O HETATM 1427 C13 UNN A 5 -11.269 -4.663 7.537 1.00 0.06 C HETATM 1428 H27 UNN A 5 -11.616 -5.147 8.462 1.00 0.06 H HETATM 1429 H28 UNN A 5 -12.084 -4.659 6.798 1.00 0.06 H HETATM 1430 H29 UNN A 5 -10.967 -3.628 7.756 1.00 0.06 H HETATM 1431 H1 UNN A 5 -8.122 -3.656 6.760 1.00 0.05 H HETATM 1432 C17 UNN A 5 -7.180 -2.452 4.601 1.00 0.06 C HETATM 1433 N21 UNN A 5 -6.130 -2.987 3.722 1.00 -0.28 N HETATM 1434 C22 UNN A 5 -4.864 -3.127 4.135 1.00 0.18 C HETATM 1435 C24 UNN A 5 -3.901 -3.693 3.088 1.00 0.04 C HETATM 1436 C27 UNN A 5 -2.804 -4.498 3.789 1.00 -0.04 C HETATM 1437 C30 UNN A 5 -1.493 -3.712 3.754 1.00 -0.05 C HETATM 1438 C33 UNN A 5 -0.353 -4.640 3.330 1.00 -0.05 C HETATM 1439 C36 UNN A 5 0.977 -4.082 3.838 1.00 -0.05 C HETATM 1440 C37 UNN A 5 2.297 -4.674 3.336 1.00 -0.05 C HETATM 1441 C38 UNN A 5 3.628 -4.072 3.790 1.00 -0.05 C HETATM 1442 C40 UNN A 5 4.477 -3.737 2.563 1.00 -0.06 C HETATM 1443 H3 UNN A 5 5.435 -3.304 2.887 1.00 0.02 H HETATM 1444 H4 UNN A 5 3.941 -3.012 1.933 1.00 0.02 H HETATM 1445 H5 UNN A 5 4.666 -4.654 1.986 1.00 0.02 H HETATM 1446 C44 UNN A 5 4.371 -5.079 4.667 1.00 -0.06 C HETATM 1447 H7 UNN A 5 3.759 -5.319 5.549 1.00 0.02 H HETATM 1448 H8 UNN A 5 5.329 -4.646 4.992 1.00 0.02 H HETATM 1449 H9 UNN A 5 4.560 -5.997 4.091 1.00 0.02 H HETATM 1450 H6 UNN A 5 3.438 -3.155 4.366 1.00 0.03 H HETATM 1451 H10 UNN A 5 2.307 -5.731 3.640 1.00 0.03 H HETATM 1452 H11 UNN A 5 2.277 -4.608 2.238 1.00 0.03 H HETATM 1453 H12 UNN A 5 0.991 -3.012 3.582 1.00 0.03 H HETATM 1454 H13 UNN A 5 0.973 -4.197 4.932 1.00 0.03 H HETATM 1455 H14 UNN A 5 -0.517 -5.641 3.756 1.00 0.03 H HETATM 1456 H15 UNN A 5 -0.326 -4.709 2.232 1.00 0.03 H HETATM 1457 H16 UNN A 5 -1.580 -2.885 3.033 1.00 0.03 H HETATM 1458 H17 UNN A 5 -1.282 -3.306 4.754 1.00 0.03 H HETATM 1459 H18 UNN A 5 -3.094 -4.680 4.834 1.00 0.03 H HETATM 1460 H19 UNN A 5 -2.669 -5.460 3.273 1.00 0.03 H HETATM 1461 H20 UNN A 5 -4.453 -4.348 2.398 1.00 0.05 H HETATM 1462 H21 UNN A 5 -3.446 -2.866 2.523 1.00 0.05 H HETATM 1463 O23 UNN A 5 -4.472 -2.835 5.263 1.00 -0.40 O HETATM 1464 H22 UNN A 5 -6.368 -3.254 2.788 1.00 0.19 H HETATM 1465 H23 UNN A 5 -6.778 -2.324 5.617 1.00 0.07 H HETATM 1466 H24 UNN A 5 -7.520 -1.479 4.216 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 237 234 238 245 1412 CONECT 242 241 244 1412 CONECT 1275 1273 1276 1277 1415 CONECT 1412 237 242 CONECT 1415 1275 CONECT 1416 1417 1421 1432 CONECT 1417 1416 1418 1431 CONECT 1418 1417 1419 1426 CONECT 1419 1418 1420 1424 CONECT 1420 1419 1421 1423 CONECT 1421 1416 1420 1422 CONECT 1422 1421 CONECT 1423 1420 CONECT 1424 1419 1425 CONECT 1425 1424 CONECT 1426 1418 1427 CONECT 1427 1426 1428 1429 1430 CONECT 1428 1427 CONECT 1429 1427 CONECT 1430 1427 CONECT 1431 1417 CONECT 1432 1416 1433 1465 1466 CONECT 1433 1432 1434 1464 CONECT 1434 1433 1435 1463 CONECT 1435 1434 1436 1461 1462 CONECT 1436 1435 1437 1459 1460 CONECT 1437 1436 1438 1457 1458 CONECT 1438 1437 1439 1455 1456 CONECT 1439 1438 1440 1453 1454 CONECT 1440 1439 1441 1451 1452 CONECT 1441 1440 1442 1446 1450 CONECT 1442 1441 1443 1444 1445 CONECT 1443 1442 CONECT 1444 1442 CONECT 1445 1442 CONECT 1446 1441 1447 1448 1449 CONECT 1447 1446 CONECT 1448 1446 CONECT 1449 1446 CONECT 1450 1441 CONECT 1451 1440 CONECT 1452 1440 CONECT 1453 1439 CONECT 1454 1439 CONECT 1455 1438 CONECT 1456 1438 CONECT 1457 1437 CONECT 1458 1437 CONECT 1459 1436 CONECT 1460 1436 CONECT 1461 1435 CONECT 1462 1435 CONECT 1463 1434 CONECT 1464 1433 CONECT 1465 1432 CONECT 1466 1432 MASTER 0 0 0 0 0 0 0 0 1465 1 60 12 END
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Structure:
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
149aa, >4DCK_2|Chain... at 100%
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RCSB PDB
PDBbind
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RCSB PDB
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6mc9
RCSB PDB
PDBbind
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RCSB PDB
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149aa, >6MBA_2|Chain... at 100%
6m7h
RCSB PDB
PDBbind
147aa, >6M7H_1|Chain... at 100%
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2n27
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calmodulin
Ligand Name
4DY
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=280nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Febs Lett. Vol. 590: pp. 2768-2775
Ligand Properties
Formula
C
1
8
H
2
9
NO
3
Molecular Weight
307.428
Exact Mass
307.215
No. of atoms
51
No. of bonds
51
Polar Surface Area
58.56
LOGP Value
4.44 (
Computed with XLOGP3
)
4.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O
InChI String
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
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):
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
801
805
808
ASD
Information of known allosteric effects of PDB entries
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