Browse entries in the PDBbind-CN Database
HEADER 2MJI_COMPLEX COMPND 2MJI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 ALA PHE ASP SER THR TRP LYS VAL ASP ARG SER GLU ASN SEQRES 2 A 131 TYR ASP LYS PHE MET GLU LYS MET GLY VAL ASN ILE VAL SEQRES 3 A 131 LYS ARG LYS LEU ALA ALA HIS ASP ASN LEU LYS LEU THR SEQRES 4 A 131 ILE THR GLN GLU GLY ASN LYS PHE THR VAL LYS GLU SER SEQRES 5 A 131 SER ALA PHE ARG ASN ILE GLU VAL VAL PHE GLU LEU GLY SEQRES 6 A 131 VAL THR PHE ASN TYR ASN LEU ALA ASP GLY THR GLU LEU SEQRES 7 A 131 ARG GLY THR TRP SER LEU GLU GLY ASN LYS LEU ILE GLY SEQRES 8 A 131 LYS PHE LYS ARG THR ASP ASN GLY ASN GLU LEU ASN THR SEQRES 9 A 131 VAL ARG GLU ILE ILE GLY ASP GLU LEU VAL GLN THR TYR SEQRES 10 A 131 VAL TYR GLU GLY VAL GLU ALA LYS ARG ILE PHE LYS LYS SEQRES 11 A 131 ASP HET KTR A 132 31 ATOM 1 N ALA A 1 -3.347 0.667 17.781 1.00 0.00 N ATOM 2 CA ALA A 1 -4.170 -0.498 17.363 1.00 0.00 C ATOM 3 C ALA A 1 -4.055 -0.738 15.861 1.00 0.00 C ATOM 4 O ALA A 1 -5.016 -0.546 15.115 1.00 0.00 O ATOM 5 CB ALA A 1 -5.624 -0.283 17.755 1.00 0.00 C ATOM 6 HN3 ALA A 1 -3.674 1.518 17.281 1.00 0.00 H ATOM 7 HN2 ALA A 1 -2.350 0.487 17.547 1.00 0.00 H ATOM 8 HN1 ALA A 1 -3.444 0.808 18.807 1.00 0.00 H ATOM 9 N PHE A 2 -2.873 -1.158 15.422 1.00 0.00 N ATOM 10 CA PHE A 2 -2.634 -1.423 14.009 1.00 0.00 C ATOM 11 C PHE A 2 -2.969 -2.873 13.662 1.00 0.00 C ATOM 12 O PHE A 2 -3.676 -3.142 12.691 1.00 0.00 O ATOM 13 CB PHE A 2 -1.176 -1.125 13.653 1.00 0.00 C ATOM 14 CG PHE A 2 -0.977 0.225 13.027 1.00 0.00 C ATOM 15 CD1 PHE A 2 -1.645 0.568 11.863 1.00 0.00 C ATOM 16 CD2 PHE A 2 -0.121 1.151 13.602 1.00 0.00 C ATOM 17 CE1 PHE A 2 -1.464 1.809 11.284 1.00 0.00 C ATOM 18 CE2 PHE A 2 0.064 2.394 13.028 1.00 0.00 C ATOM 19 CZ PHE A 2 -0.609 2.724 11.867 1.00 0.00 C ATOM 20 H PHE A 2 -2.100 -1.301 16.103 1.00 0.00 H ATOM 21 N ASP A 3 -2.455 -3.804 14.465 1.00 0.00 N ATOM 22 CA ASP A 3 -2.698 -5.229 14.246 1.00 0.00 C ATOM 23 C ASP A 3 -4.192 -5.519 14.147 1.00 0.00 C ATOM 24 O ASP A 3 -4.919 -5.414 15.134 1.00 0.00 O ATOM 25 CB ASP A 3 -2.090 -6.053 15.382 1.00 0.00 C ATOM 26 CG ASP A 3 -0.596 -5.844 15.516 1.00 0.00 C ATOM 27 OD1 ASP A 3 -0.181 -4.710 15.835 1.00 0.00 O ATOM 28 OD2 ASP A 3 0.160 -6.817 15.305 1.00 0.00 O ATOM 29 H ASP A 3 -1.865 -3.509 15.269 1.00 0.00 H ATOM 30 N SER A 4 -4.647 -5.881 12.950 1.00 0.00 N ATOM 31 CA SER A 4 -6.059 -6.181 12.730 1.00 0.00 C ATOM 32 C SER A 4 -6.353 -6.386 11.247 1.00 0.00 C ATOM 33 O SER A 4 -5.470 -6.245 10.401 1.00 0.00 O ATOM 34 CB SER A 4 -6.931 -5.041 13.267 1.00 0.00 C ATOM 35 OG SER A 4 -7.891 -5.523 14.191 1.00 0.00 O ATOM 36 HG SER A 4 -7.427 -5.953 14.953 1.00 0.00 H ATOM 37 H SER A 4 -3.982 -5.952 12.153 1.00 0.00 H ATOM 38 N THR A 5 -7.610 -6.694 10.941 1.00 0.00 N ATOM 39 CA THR A 5 -8.036 -6.890 9.561 1.00 0.00 C ATOM 40 C THR A 5 -8.471 -5.553 8.981 1.00 0.00 C ATOM 41 O THR A 5 -9.362 -4.898 9.522 1.00 0.00 O ATOM 42 CB THR A 5 -9.187 -7.893 9.489 1.00 0.00 C ATOM 43 OG1 THR A 5 -8.791 -9.151 10.004 1.00 0.00 O ATOM 44 CG2 THR A 5 -9.693 -8.110 8.083 1.00 0.00 C ATOM 45 HG1 THR A 5 -9.551 -9.783 9.947 1.00 0.00 H ATOM 46 H THR A 5 -8.307 -6.798 11.706 1.00 0.00 H ATOM 47 N TRP A 6 -7.821 -5.126 7.903 1.00 0.00 N ATOM 48 CA TRP A 6 -8.140 -3.841 7.302 1.00 0.00 C ATOM 49 C TRP A 6 -8.729 -3.992 5.908 1.00 0.00 C ATOM 50 O TRP A 6 -8.168 -4.662 5.042 1.00 0.00 O ATOM 51 CB TRP A 6 -6.890 -2.956 7.258 1.00 0.00 C ATOM 52 CG TRP A 6 -6.464 -2.455 8.604 1.00 0.00 C ATOM 53 CD1 TRP A 6 -6.674 -3.064 9.807 1.00 0.00 C ATOM 54 CD2 TRP A 6 -5.751 -1.246 8.885 1.00 0.00 C ATOM 55 NE1 TRP A 6 -6.139 -2.308 10.819 1.00 0.00 N ATOM 56 CE2 TRP A 6 -5.566 -1.188 10.280 1.00 0.00 C ATOM 57 CE3 TRP A 6 -5.251 -0.208 8.095 1.00 0.00 C ATOM 58 CZ2 TRP A 6 -4.904 -0.135 10.900 1.00 0.00 C ATOM 59 CZ3 TRP A 6 -4.593 0.838 8.713 1.00 0.00 C ATOM 60 CH2 TRP A 6 -4.424 0.868 10.104 1.00 0.00 C ATOM 61 HE1 TRP A 6 -6.165 -2.547 11.831 1.00 0.00 H ATOM 62 H TRP A 6 -7.075 -5.718 7.484 1.00 0.00 H ATOM 63 N LYS A 7 -9.862 -3.331 5.708 1.00 0.00 N ATOM 64 CA LYS A 7 -10.556 -3.342 4.427 1.00 0.00 C ATOM 65 C LYS A 7 -10.682 -1.924 3.883 1.00 0.00 C ATOM 66 O LYS A 7 -11.385 -1.086 4.443 1.00 0.00 O ATOM 67 CB LYS A 7 -11.935 -4.004 4.582 1.00 0.00 C ATOM 68 CG LYS A 7 -12.973 -3.592 3.540 1.00 0.00 C ATOM 69 CD LYS A 7 -14.281 -3.164 4.193 1.00 0.00 C ATOM 70 CE LYS A 7 -14.350 -1.655 4.386 1.00 0.00 C ATOM 71 NZ LYS A 7 -14.376 -0.928 3.087 1.00 0.00 N ATOM 72 HZ1 LYS A 7 -13.513 -1.149 2.550 1.00 0.00 H ATOM 73 HZ2 LYS A 7 -15.210 -1.225 2.542 1.00 0.00 H ATOM 74 HZ3 LYS A 7 -14.423 0.096 3.265 1.00 0.00 H ATOM 75 H LYS A 7 -10.269 -2.785 6.494 1.00 0.00 H ATOM 76 N VAL A 8 -9.990 -1.669 2.783 1.00 0.00 N ATOM 77 CA VAL A 8 -10.014 -0.360 2.156 1.00 0.00 C ATOM 78 C VAL A 8 -11.413 -0.021 1.644 1.00 0.00 C ATOM 79 O VAL A 8 -12.109 -0.879 1.103 1.00 0.00 O ATOM 80 CB VAL A 8 -8.990 -0.287 1.002 1.00 0.00 C ATOM 81 CG1 VAL A 8 -9.587 -0.785 -0.310 1.00 0.00 C ATOM 82 CG2 VAL A 8 -8.463 1.129 0.859 1.00 0.00 C ATOM 83 H VAL A 8 -9.416 -2.425 2.358 1.00 0.00 H ATOM 84 N ASP A 9 -11.821 1.232 1.825 1.00 0.00 N ATOM 85 CA ASP A 9 -13.140 1.672 1.385 1.00 0.00 C ATOM 86 C ASP A 9 -13.056 2.437 0.068 1.00 0.00 C ATOM 87 O ASP A 9 -13.440 1.922 -0.982 1.00 0.00 O ATOM 88 CB ASP A 9 -13.796 2.544 2.457 1.00 0.00 C ATOM 89 CG ASP A 9 -15.179 3.018 2.052 1.00 0.00 C ATOM 90 OD1 ASP A 9 -16.137 2.226 2.173 1.00 0.00 O ATOM 91 OD2 ASP A 9 -15.303 4.180 1.612 1.00 0.00 O ATOM 92 H ASP A 9 -11.186 1.912 2.290 1.00 0.00 H ATOM 93 N ARG A 10 -12.553 3.667 0.126 1.00 0.00 N ATOM 94 CA ARG A 10 -12.427 4.488 -1.074 1.00 0.00 C ATOM 95 C ARG A 10 -10.968 4.834 -1.344 1.00 0.00 C ATOM 96 O ARG A 10 -10.119 4.726 -0.459 1.00 0.00 O ATOM 97 CB ARG A 10 -13.255 5.770 -0.943 1.00 0.00 C ATOM 98 CG ARG A 10 -12.988 6.546 0.331 1.00 0.00 C ATOM 99 CD ARG A 10 -13.990 7.675 0.514 1.00 0.00 C ATOM 100 NE ARG A 10 -15.328 7.177 0.826 1.00 0.00 N ATOM 101 CZ ARG A 10 -15.732 6.846 2.051 1.00 0.00 C ATOM 102 NH1 ARG A 10 -14.903 6.949 3.082 1.00 0.00 N ATOM 103 NH2 ARG A 10 -16.968 6.408 2.244 1.00 0.00 N ATOM 104 HE ARG A 10 -16.006 7.075 0.044 1.00 0.00 H ATOM 105 HH12 ARG A 10 -15.225 6.689 4.036 1.00 0.00 H ATOM 106 HH11 ARG A 10 -13.931 7.290 2.936 1.00 0.00 H ATOM 107 HH22 ARG A 10 -17.285 6.149 3.200 1.00 0.00 H ATOM 108 HH21 ARG A 10 -17.621 6.323 1.439 1.00 0.00 H ATOM 109 H ARG A 10 -12.244 4.050 1.042 1.00 0.00 H ATOM 110 N SER A 11 -10.683 5.243 -2.574 1.00 0.00 N ATOM 111 CA SER A 11 -9.325 5.597 -2.963 1.00 0.00 C ATOM 112 C SER A 11 -9.313 6.841 -3.844 1.00 0.00 C ATOM 113 O SER A 11 -10.336 7.225 -4.411 1.00 0.00 O ATOM 114 CB SER A 11 -8.669 4.426 -3.697 1.00 0.00 C ATOM 115 OG SER A 11 -9.041 4.406 -5.064 1.00 0.00 O ATOM 116 HG SER A 11 -8.603 3.640 -5.513 1.00 0.00 H ATOM 117 H SER A 11 -11.447 5.312 -3.276 1.00 0.00 H ATOM 118 N GLU A 12 -8.147 7.466 -3.951 1.00 0.00 N ATOM 119 CA GLU A 12 -7.991 8.668 -4.760 1.00 0.00 C ATOM 120 C GLU A 12 -6.677 8.630 -5.533 1.00 0.00 C ATOM 121 O GLU A 12 -5.617 8.380 -4.961 1.00 0.00 O ATOM 122 CB GLU A 12 -8.040 9.915 -3.876 1.00 0.00 C ATOM 123 CG GLU A 12 -9.442 10.473 -3.689 1.00 0.00 C ATOM 124 CD GLU A 12 -9.746 11.614 -4.640 1.00 0.00 C ATOM 125 OE1 GLU A 12 -9.872 11.357 -5.856 1.00 0.00 O ATOM 126 OE2 GLU A 12 -9.859 12.766 -4.169 1.00 0.00 O ATOM 127 H GLU A 12 -7.322 7.087 -3.443 1.00 0.00 H ATOM 128 N ASN A 13 -6.755 8.877 -6.837 1.00 0.00 N ATOM 129 CA ASN A 13 -5.578 8.869 -7.689 1.00 0.00 C ATOM 130 C ASN A 13 -4.885 7.509 -7.660 1.00 0.00 C ATOM 131 O ASN A 13 -3.728 7.373 -8.071 1.00 0.00 O ATOM 132 CB ASN A 13 -4.614 9.959 -7.244 1.00 0.00 C ATOM 133 CG ASN A 13 -4.701 11.201 -8.108 1.00 0.00 C ATOM 134 OD1 ASN A 13 -5.293 11.181 -9.187 1.00 0.00 O ATOM 135 ND2 ASN A 13 -4.108 12.292 -7.637 1.00 0.00 N ATOM 136 HD22 ASN A 13 -3.619 12.263 -6.720 1.00 0.00 H ATOM 137 HD21 ASN A 13 -4.133 13.175 -8.186 1.00 0.00 H ATOM 138 H ASN A 13 -7.683 9.081 -7.259 1.00 0.00 H ATOM 139 N TYR A 14 -5.591 6.490 -7.187 1.00 0.00 N ATOM 140 CA TYR A 14 -5.019 5.159 -7.134 1.00 0.00 C ATOM 141 C TYR A 14 -4.566 4.746 -8.529 1.00 0.00 C ATOM 142 O TYR A 14 -3.460 4.238 -8.711 1.00 0.00 O ATOM 143 CB TYR A 14 -6.029 4.160 -6.574 1.00 0.00 C ATOM 144 CG TYR A 14 -5.414 2.829 -6.212 1.00 0.00 C ATOM 145 CD1 TYR A 14 -4.958 1.964 -7.195 1.00 0.00 C ATOM 146 CD2 TYR A 14 -5.281 2.444 -4.886 1.00 0.00 C ATOM 147 CE1 TYR A 14 -4.387 0.749 -6.868 1.00 0.00 C ATOM 148 CE2 TYR A 14 -4.709 1.232 -4.548 1.00 0.00 C ATOM 149 CZ TYR A 14 -4.263 0.388 -5.544 1.00 0.00 C ATOM 150 OH TYR A 14 -3.692 -0.819 -5.213 1.00 0.00 O ATOM 151 HH TYR A 14 -4.346 -1.365 -4.709 1.00 0.00 H ATOM 152 H TYR A 14 -6.563 6.647 -6.852 1.00 0.00 H ATOM 153 N ASP A 15 -5.419 5.008 -9.517 1.00 0.00 N ATOM 154 CA ASP A 15 -5.098 4.702 -10.907 1.00 0.00 C ATOM 155 C ASP A 15 -3.815 5.421 -11.306 1.00 0.00 C ATOM 156 O ASP A 15 -3.043 4.939 -12.134 1.00 0.00 O ATOM 157 CB ASP A 15 -6.241 5.137 -11.824 1.00 0.00 C ATOM 158 CG ASP A 15 -6.243 4.389 -13.144 1.00 0.00 C ATOM 159 OD1 ASP A 15 -5.537 3.363 -13.246 1.00 0.00 O ATOM 160 OD2 ASP A 15 -6.950 4.829 -14.074 1.00 0.00 O ATOM 161 H ASP A 15 -6.337 5.442 -9.292 1.00 0.00 H ATOM 162 N LYS A 16 -3.594 6.577 -10.689 1.00 0.00 N ATOM 163 CA LYS A 16 -2.407 7.380 -10.944 1.00 0.00 C ATOM 164 C LYS A 16 -1.155 6.538 -10.797 1.00 0.00 C ATOM 165 O LYS A 16 -0.223 6.637 -11.595 1.00 0.00 O ATOM 166 CB LYS A 16 -2.365 8.552 -9.959 1.00 0.00 C ATOM 167 CG LYS A 16 -1.719 9.809 -10.505 1.00 0.00 C ATOM 168 CD LYS A 16 -2.745 10.904 -10.715 1.00 0.00 C ATOM 169 CE LYS A 16 -2.315 11.874 -11.803 1.00 0.00 C ATOM 170 NZ LYS A 16 -3.364 12.892 -12.086 1.00 0.00 N ATOM 171 HZ1 LYS A 16 -4.233 12.415 -12.400 1.00 0.00 H ATOM 172 HZ2 LYS A 16 -3.559 13.437 -11.222 1.00 0.00 H ATOM 173 HZ3 LYS A 16 -3.030 13.533 -12.834 1.00 0.00 H ATOM 174 H LYS A 16 -4.293 6.920 -10.000 1.00 0.00 H ATOM 175 N PHE A 17 -1.138 5.717 -9.762 1.00 0.00 N ATOM 176 CA PHE A 17 0.007 4.862 -9.494 1.00 0.00 C ATOM 177 C PHE A 17 0.101 3.745 -10.526 1.00 0.00 C ATOM 178 O PHE A 17 1.192 3.287 -10.862 1.00 0.00 O ATOM 179 CB PHE A 17 -0.076 4.312 -8.065 1.00 0.00 C ATOM 180 CG PHE A 17 0.185 5.367 -7.034 1.00 0.00 C ATOM 181 CD1 PHE A 17 -0.255 6.662 -7.256 1.00 0.00 C ATOM 182 CD2 PHE A 17 0.883 5.087 -5.864 1.00 0.00 C ATOM 183 CE1 PHE A 17 -0.010 7.662 -6.352 1.00 0.00 C ATOM 184 CE2 PHE A 17 1.128 6.090 -4.945 1.00 0.00 C ATOM 185 CZ PHE A 17 0.683 7.380 -5.191 1.00 0.00 C ATOM 186 H PHE A 17 -1.960 5.682 -9.126 1.00 0.00 H ATOM 187 N MET A 18 -1.046 3.323 -11.042 1.00 0.00 N ATOM 188 CA MET A 18 -1.090 2.280 -12.048 1.00 0.00 C ATOM 189 C MET A 18 -0.416 2.732 -13.341 1.00 0.00 C ATOM 190 O MET A 18 0.150 1.917 -14.070 1.00 0.00 O ATOM 191 CB MET A 18 -2.540 1.898 -12.333 1.00 0.00 C ATOM 192 CG MET A 18 -3.122 0.954 -11.303 1.00 0.00 C ATOM 193 SD MET A 18 -2.972 1.568 -9.616 1.00 0.00 S ATOM 194 CE MET A 18 -1.812 0.389 -8.928 1.00 0.00 C ATOM 195 H MET A 18 -1.936 3.751 -10.717 1.00 0.00 H ATOM 196 N GLU A 19 -0.498 4.029 -13.638 1.00 0.00 N ATOM 197 CA GLU A 19 0.090 4.557 -14.866 1.00 0.00 C ATOM 198 C GLU A 19 1.558 4.953 -14.698 1.00 0.00 C ATOM 199 O GLU A 19 2.431 4.420 -15.384 1.00 0.00 O ATOM 200 CB GLU A 19 -0.716 5.760 -15.360 1.00 0.00 C ATOM 201 CG GLU A 19 -2.220 5.541 -15.322 1.00 0.00 C ATOM 202 CD GLU A 19 -2.667 4.401 -16.216 1.00 0.00 C ATOM 203 OE1 GLU A 19 -2.476 3.230 -15.825 1.00 0.00 O ATOM 204 OE2 GLU A 19 -3.208 4.679 -17.307 1.00 0.00 O ATOM 205 H GLU A 19 -0.988 4.674 -12.986 1.00 0.00 H ATOM 206 N LYS A 20 1.829 5.900 -13.803 1.00 0.00 N ATOM 207 CA LYS A 20 3.192 6.367 -13.578 1.00 0.00 C ATOM 208 C LYS A 20 4.109 5.223 -13.159 1.00 0.00 C ATOM 209 O LYS A 20 5.267 5.163 -13.573 1.00 0.00 O ATOM 210 CB LYS A 20 3.199 7.469 -12.523 1.00 0.00 C ATOM 211 CG LYS A 20 4.558 8.121 -12.328 1.00 0.00 C ATOM 212 CD LYS A 20 4.640 9.498 -12.974 1.00 0.00 C ATOM 213 CE LYS A 20 6.064 9.826 -13.387 1.00 0.00 C ATOM 214 NZ LYS A 20 6.380 9.317 -14.750 1.00 0.00 N ATOM 215 HZ1 LYS A 20 6.266 8.283 -14.768 1.00 0.00 H ATOM 216 HZ2 LYS A 20 5.733 9.751 -15.439 1.00 0.00 H ATOM 217 HZ3 LYS A 20 7.361 9.563 -14.992 1.00 0.00 H ATOM 218 H LYS A 20 1.051 6.316 -13.252 1.00 0.00 H ATOM 219 N MET A 21 3.587 4.312 -12.345 1.00 0.00 N ATOM 220 CA MET A 21 4.368 3.169 -11.887 1.00 0.00 C ATOM 221 C MET A 21 4.217 1.987 -12.841 1.00 0.00 C ATOM 222 O MET A 21 5.019 1.053 -12.817 1.00 0.00 O ATOM 223 CB MET A 21 3.942 2.749 -10.478 1.00 0.00 C ATOM 224 CG MET A 21 3.660 3.918 -9.547 1.00 0.00 C ATOM 225 SD MET A 21 3.334 3.398 -7.849 1.00 0.00 S ATOM 226 CE MET A 21 2.476 1.847 -8.112 1.00 0.00 C ATOM 227 H MET A 21 2.602 4.416 -12.028 1.00 0.00 H ATOM 228 N GLY A 22 3.182 2.028 -13.676 1.00 0.00 N ATOM 229 CA GLY A 22 2.948 0.949 -14.616 1.00 0.00 C ATOM 230 C GLY A 22 2.463 -0.308 -13.925 1.00 0.00 C ATOM 231 O GLY A 22 3.002 -1.394 -14.143 1.00 0.00 O ATOM 232 H GLY A 22 2.535 2.842 -13.654 1.00 0.00 H ATOM 233 N VAL A 23 1.443 -0.159 -13.086 1.00 0.00 N ATOM 234 CA VAL A 23 0.884 -1.292 -12.354 1.00 0.00 C ATOM 235 C VAL A 23 -0.188 -1.993 -13.179 1.00 0.00 C ATOM 236 O VAL A 23 -1.138 -1.363 -13.643 1.00 0.00 O ATOM 237 CB VAL A 23 0.281 -0.853 -11.002 1.00 0.00 C ATOM 238 CG1 VAL A 23 0.024 -2.057 -10.108 1.00 0.00 C ATOM 239 CG2 VAL A 23 1.194 0.149 -10.307 1.00 0.00 C ATOM 240 H VAL A 23 1.033 0.787 -12.948 1.00 0.00 H ATOM 241 N ASN A 24 -0.026 -3.300 -13.365 1.00 0.00 N ATOM 242 CA ASN A 24 -0.978 -4.084 -14.144 1.00 0.00 C ATOM 243 C ASN A 24 -2.409 -3.835 -13.680 1.00 0.00 C ATOM 244 O ASN A 24 -2.649 -3.430 -12.542 1.00 0.00 O ATOM 245 CB ASN A 24 -0.640 -5.577 -14.056 1.00 0.00 C ATOM 246 CG ASN A 24 -1.795 -6.473 -14.467 1.00 0.00 C ATOM 247 OD1 ASN A 24 -2.414 -7.129 -13.630 1.00 0.00 O ATOM 248 ND2 ASN A 24 -2.087 -6.505 -15.762 1.00 0.00 N ATOM 249 HD22 ASN A 24 -1.536 -5.933 -16.434 1.00 0.00 H ATOM 250 HD21 ASN A 24 -2.867 -7.102 -16.105 1.00 0.00 H ATOM 251 H ASN A 24 0.799 -3.774 -12.945 1.00 0.00 H ATOM 252 N ILE A 25 -3.352 -4.082 -14.577 1.00 0.00 N ATOM 253 CA ILE A 25 -4.763 -3.887 -14.277 1.00 0.00 C ATOM 254 C ILE A 25 -5.378 -5.144 -13.673 1.00 0.00 C ATOM 255 O ILE A 25 -6.181 -5.067 -12.746 1.00 0.00 O ATOM 256 CB ILE A 25 -5.556 -3.490 -15.540 1.00 0.00 C ATOM 257 CG1 ILE A 25 -7.006 -3.164 -15.180 1.00 0.00 C ATOM 258 CG2 ILE A 25 -5.499 -4.601 -16.579 1.00 0.00 C ATOM 259 CD1 ILE A 25 -7.708 -2.309 -16.213 1.00 0.00 C ATOM 260 H ILE A 25 -3.077 -4.424 -15.520 1.00 0.00 H ATOM 261 N VAL A 26 -4.996 -6.300 -14.205 1.00 0.00 N ATOM 262 CA VAL A 26 -5.513 -7.576 -13.718 1.00 0.00 C ATOM 263 C VAL A 26 -5.334 -7.704 -12.209 1.00 0.00 C ATOM 264 O VAL A 26 -6.248 -8.123 -11.500 1.00 0.00 O ATOM 265 CB VAL A 26 -4.828 -8.770 -14.411 1.00 0.00 C ATOM 266 CG1 VAL A 26 -5.510 -10.072 -14.020 1.00 0.00 C ATOM 267 CG2 VAL A 26 -4.833 -8.591 -15.923 1.00 0.00 C ATOM 268 H VAL A 26 -4.312 -6.296 -14.988 1.00 0.00 H ATOM 269 N LYS A 27 -4.157 -7.327 -11.723 1.00 0.00 N ATOM 270 CA LYS A 27 -3.870 -7.386 -10.296 1.00 0.00 C ATOM 271 C LYS A 27 -4.501 -6.193 -9.589 1.00 0.00 C ATOM 272 O LYS A 27 -4.922 -6.285 -8.436 1.00 0.00 O ATOM 273 CB LYS A 27 -2.359 -7.402 -10.054 1.00 0.00 C ATOM 274 CG LYS A 27 -1.978 -7.564 -8.591 1.00 0.00 C ATOM 275 CD LYS A 27 -1.231 -6.348 -8.068 1.00 0.00 C ATOM 276 CE LYS A 27 -2.167 -5.378 -7.365 1.00 0.00 C ATOM 277 NZ LYS A 27 -1.502 -4.694 -6.222 1.00 0.00 N ATOM 278 HZ1 LYS A 27 -1.188 -5.404 -5.530 1.00 0.00 H ATOM 279 HZ2 LYS A 27 -0.680 -4.160 -6.570 1.00 0.00 H ATOM 280 HZ3 LYS A 27 -2.175 -4.042 -5.771 1.00 0.00 H ATOM 281 H LYS A 27 -3.424 -6.982 -12.375 1.00 0.00 H ATOM 282 N ARG A 28 -4.566 -5.074 -10.302 1.00 0.00 N ATOM 283 CA ARG A 28 -5.149 -3.850 -9.772 1.00 0.00 C ATOM 284 C ARG A 28 -6.673 -3.948 -9.692 1.00 0.00 C ATOM 285 O ARG A 28 -7.311 -3.198 -8.958 1.00 0.00 O ATOM 286 CB ARG A 28 -4.747 -2.664 -10.642 1.00 0.00 C ATOM 287 CG ARG A 28 -5.201 -1.345 -10.077 1.00 0.00 C ATOM 288 CD ARG A 28 -6.452 -0.859 -10.760 1.00 0.00 C ATOM 289 NE ARG A 28 -6.175 -0.246 -12.057 1.00 0.00 N ATOM 290 CZ ARG A 28 -7.001 0.599 -12.669 1.00 0.00 C ATOM 291 NH1 ARG A 28 -8.156 0.935 -12.107 1.00 0.00 N ATOM 292 NH2 ARG A 28 -6.672 1.110 -13.848 1.00 0.00 N ATOM 293 HE ARG A 28 -5.280 -0.484 -12.530 1.00 0.00 H ATOM 294 HH12 ARG A 28 -8.797 1.596 -12.591 1.00 0.00 H ATOM 295 HH11 ARG A 28 -8.420 0.537 -11.183 1.00 0.00 H ATOM 296 HH22 ARG A 28 -7.317 1.770 -14.327 1.00 0.00 H ATOM 297 HH21 ARG A 28 -5.769 0.850 -14.294 1.00 0.00 H ATOM 298 H ARG A 28 -4.188 -5.072 -11.271 1.00 0.00 H ATOM 299 N LYS A 29 -7.251 -4.873 -10.457 1.00 0.00 N ATOM 300 CA LYS A 29 -8.699 -5.073 -10.485 1.00 0.00 C ATOM 301 C LYS A 29 -9.311 -5.008 -9.087 1.00 0.00 C ATOM 302 O LYS A 29 -10.216 -4.215 -8.832 1.00 0.00 O ATOM 303 CB LYS A 29 -9.020 -6.424 -11.126 1.00 0.00 C ATOM 304 CG LYS A 29 -9.909 -6.325 -12.353 1.00 0.00 C ATOM 305 CD LYS A 29 -9.251 -5.519 -13.460 1.00 0.00 C ATOM 306 CE LYS A 29 -9.568 -6.092 -14.832 1.00 0.00 C ATOM 307 NZ LYS A 29 -9.305 -7.557 -14.897 1.00 0.00 N ATOM 308 HZ1 LYS A 29 -8.301 -7.737 -14.692 1.00 0.00 H ATOM 309 HZ2 LYS A 29 -9.896 -8.046 -14.195 1.00 0.00 H ATOM 310 HZ3 LYS A 29 -9.534 -7.907 -15.849 1.00 0.00 H ATOM 311 H LYS A 29 -6.650 -5.475 -11.056 1.00 0.00 H ATOM 312 N LEU A 30 -8.816 -5.853 -8.189 1.00 0.00 N ATOM 313 CA LEU A 30 -9.322 -5.895 -6.823 1.00 0.00 C ATOM 314 C LEU A 30 -8.427 -5.094 -5.882 1.00 0.00 C ATOM 315 O LEU A 30 -8.858 -4.667 -4.812 1.00 0.00 O ATOM 316 CB LEU A 30 -9.425 -7.345 -6.349 1.00 0.00 C ATOM 317 CG LEU A 30 -9.957 -8.327 -7.396 1.00 0.00 C ATOM 318 CD1 LEU A 30 -10.052 -9.729 -6.818 1.00 0.00 C ATOM 319 CD2 LEU A 30 -11.312 -7.868 -7.914 1.00 0.00 C ATOM 320 H LEU A 30 -8.050 -6.499 -8.467 1.00 0.00 H ATOM 321 N ALA A 31 -7.179 -4.894 -6.289 1.00 0.00 N ATOM 322 CA ALA A 31 -6.223 -4.144 -5.485 1.00 0.00 C ATOM 323 C ALA A 31 -6.441 -2.638 -5.613 1.00 0.00 C ATOM 324 O ALA A 31 -5.904 -1.861 -4.824 1.00 0.00 O ATOM 325 CB ALA A 31 -4.802 -4.507 -5.887 1.00 0.00 C ATOM 326 H ALA A 31 -6.876 -5.283 -7.205 1.00 0.00 H ATOM 327 N ALA A 32 -7.213 -2.224 -6.617 1.00 0.00 N ATOM 328 CA ALA A 32 -7.467 -0.804 -6.841 1.00 0.00 C ATOM 329 C ALA A 32 -8.050 -0.125 -5.606 1.00 0.00 C ATOM 330 O ALA A 32 -7.576 0.935 -5.202 1.00 0.00 O ATOM 331 CB ALA A 32 -8.401 -0.610 -8.023 1.00 0.00 C ATOM 332 H ALA A 32 -7.643 -2.926 -7.253 1.00 0.00 H ATOM 333 N HIS A 33 -9.075 -0.737 -5.008 1.00 0.00 N ATOM 334 CA HIS A 33 -9.715 -0.177 -3.814 1.00 0.00 C ATOM 335 C HIS A 33 -11.059 -0.843 -3.534 1.00 0.00 C ATOM 336 O HIS A 33 -11.417 -1.080 -2.380 1.00 0.00 O ATOM 337 CB HIS A 33 -9.930 1.331 -3.970 1.00 0.00 C ATOM 338 CG HIS A 33 -10.630 1.707 -5.238 1.00 0.00 C ATOM 339 ND1 HIS A 33 -10.001 2.342 -6.288 1.00 0.00 N ATOM 340 CD2 HIS A 33 -11.916 1.533 -5.621 1.00 0.00 C ATOM 341 CE1 HIS A 33 -10.871 2.543 -7.262 1.00 0.00 C ATOM 342 NE2 HIS A 33 -12.040 2.061 -6.883 1.00 0.00 N ATOM 343 H HIS A 33 -9.428 -1.634 -5.399 1.00 0.00 H ATOM 344 N ASP A 34 -11.809 -1.123 -4.595 1.00 0.00 N ATOM 345 CA ASP A 34 -13.126 -1.739 -4.466 1.00 0.00 C ATOM 346 C ASP A 34 -13.071 -3.036 -3.664 1.00 0.00 C ATOM 347 O ASP A 34 -13.747 -3.173 -2.645 1.00 0.00 O ATOM 348 CB ASP A 34 -13.733 -2.004 -5.848 1.00 0.00 C ATOM 349 CG ASP A 34 -12.727 -2.564 -6.835 1.00 0.00 C ATOM 350 OD1 ASP A 34 -11.622 -2.955 -6.403 1.00 0.00 O ATOM 351 OD2 ASP A 34 -13.044 -2.610 -8.043 1.00 0.00 O ATOM 352 H ASP A 34 -11.447 -0.897 -5.544 1.00 0.00 H ATOM 353 N ASN A 35 -12.270 -3.988 -4.129 1.00 0.00 N ATOM 354 CA ASN A 35 -12.142 -5.267 -3.452 1.00 0.00 C ATOM 355 C ASN A 35 -10.705 -5.508 -3.006 1.00 0.00 C ATOM 356 O ASN A 35 -10.046 -6.438 -3.469 1.00 0.00 O ATOM 357 CB ASN A 35 -12.609 -6.406 -4.363 1.00 0.00 C ATOM 358 CG ASN A 35 -13.915 -6.089 -5.065 1.00 0.00 C ATOM 359 OD1 ASN A 35 -13.927 -5.482 -6.136 1.00 0.00 O ATOM 360 ND2 ASN A 35 -15.025 -6.499 -4.462 1.00 0.00 N ATOM 361 HD22 ASN A 35 -14.967 -7.009 -3.557 1.00 0.00 H ATOM 362 HD21 ASN A 35 -15.952 -6.310 -4.894 1.00 0.00 H ATOM 363 H ASN A 35 -11.723 -3.814 -4.996 1.00 0.00 H ATOM 364 N LEU A 36 -10.224 -4.662 -2.103 1.00 0.00 N ATOM 365 CA LEU A 36 -8.865 -4.783 -1.595 1.00 0.00 C ATOM 366 C LEU A 36 -8.861 -4.975 -0.083 1.00 0.00 C ATOM 367 O LEU A 36 -9.453 -4.189 0.657 1.00 0.00 O ATOM 368 CB LEU A 36 -8.044 -3.546 -1.970 1.00 0.00 C ATOM 369 CG LEU A 36 -6.557 -3.607 -1.604 1.00 0.00 C ATOM 370 CD1 LEU A 36 -6.362 -3.359 -0.116 1.00 0.00 C ATOM 371 CD2 LEU A 36 -5.958 -4.948 -2.006 1.00 0.00 C ATOM 372 H LEU A 36 -10.832 -3.895 -1.750 1.00 0.00 H ATOM 373 N LYS A 37 -8.180 -6.021 0.366 1.00 0.00 N ATOM 374 CA LYS A 37 -8.079 -6.324 1.785 1.00 0.00 C ATOM 375 C LYS A 37 -6.636 -6.198 2.238 1.00 0.00 C ATOM 376 O LYS A 37 -5.750 -6.887 1.738 1.00 0.00 O ATOM 377 CB LYS A 37 -8.607 -7.731 2.071 1.00 0.00 C ATOM 378 CG LYS A 37 -8.233 -8.268 3.446 1.00 0.00 C ATOM 379 CD LYS A 37 -8.889 -7.461 4.554 1.00 0.00 C ATOM 380 CE LYS A 37 -10.191 -8.103 5.006 1.00 0.00 C ATOM 381 NZ LYS A 37 -11.139 -7.107 5.578 1.00 0.00 N ATOM 382 HZ1 LYS A 37 -10.701 -6.647 6.402 1.00 0.00 H ATOM 383 HZ2 LYS A 37 -11.364 -6.391 4.858 1.00 0.00 H ATOM 384 HZ3 LYS A 37 -12.012 -7.590 5.872 1.00 0.00 H ATOM 385 H LYS A 37 -7.704 -6.644 -0.318 1.00 0.00 H ATOM 386 N LEU A 38 -6.414 -5.307 3.183 1.00 0.00 N ATOM 387 CA LEU A 38 -5.088 -5.069 3.718 1.00 0.00 C ATOM 388 C LEU A 38 -5.035 -5.541 5.169 1.00 0.00 C ATOM 389 O LEU A 38 -5.690 -4.974 6.031 1.00 0.00 O ATOM 390 CB LEU A 38 -4.774 -3.570 3.600 1.00 0.00 C ATOM 391 CG LEU A 38 -3.294 -3.189 3.401 1.00 0.00 C ATOM 392 CD1 LEU A 38 -2.586 -4.167 2.471 1.00 0.00 C ATOM 393 CD2 LEU A 38 -3.172 -1.770 2.852 1.00 0.00 C ATOM 394 H LEU A 38 -7.214 -4.758 3.556 1.00 0.00 H ATOM 395 N THR A 39 -4.280 -6.601 5.432 1.00 0.00 N ATOM 396 CA THR A 39 -4.189 -7.144 6.786 1.00 0.00 C ATOM 397 C THR A 39 -2.907 -6.701 7.481 1.00 0.00 C ATOM 398 O THR A 39 -1.860 -6.563 6.849 1.00 0.00 O ATOM 399 CB THR A 39 -4.266 -8.671 6.757 1.00 0.00 C ATOM 400 OG1 THR A 39 -5.446 -9.101 6.101 1.00 0.00 O ATOM 401 CG2 THR A 39 -4.254 -9.297 8.135 1.00 0.00 C ATOM 402 HG1 THR A 39 -5.447 -8.762 5.171 1.00 0.00 H ATOM 403 H THR A 39 -3.745 -7.052 4.663 1.00 0.00 H ATOM 404 N ILE A 40 -3.003 -6.480 8.789 1.00 0.00 N ATOM 405 CA ILE A 40 -1.858 -6.051 9.583 1.00 0.00 C ATOM 406 C ILE A 40 -1.580 -7.027 10.723 1.00 0.00 C ATOM 407 O ILE A 40 -2.457 -7.318 11.535 1.00 0.00 O ATOM 408 CB ILE A 40 -2.080 -4.641 10.171 1.00 0.00 C ATOM 409 CG1 ILE A 40 -2.345 -3.631 9.053 1.00 0.00 C ATOM 410 CG2 ILE A 40 -0.877 -4.210 11.000 1.00 0.00 C ATOM 411 CD1 ILE A 40 -2.765 -2.268 9.559 1.00 0.00 C ATOM 412 H ILE A 40 -3.921 -6.617 9.259 1.00 0.00 H ATOM 413 N THR A 41 -0.347 -7.520 10.778 1.00 0.00 N ATOM 414 CA THR A 41 0.062 -8.454 11.820 1.00 0.00 C ATOM 415 C THR A 41 1.419 -8.049 12.386 1.00 0.00 C ATOM 416 O THR A 41 2.418 -8.746 12.201 1.00 0.00 O ATOM 417 CB THR A 41 0.123 -9.879 11.267 1.00 0.00 C ATOM 418 OG1 THR A 41 -0.683 -10.002 10.108 1.00 0.00 O ATOM 419 CG2 THR A 41 -0.337 -10.926 12.258 1.00 0.00 C ATOM 420 HG1 THR A 41 -0.359 -9.375 9.414 1.00 0.00 H ATOM 421 H THR A 41 0.345 -7.231 10.058 1.00 0.00 H ATOM 422 N GLN A 42 1.449 -6.907 13.065 1.00 0.00 N ATOM 423 CA GLN A 42 2.682 -6.390 13.649 1.00 0.00 C ATOM 424 C GLN A 42 3.387 -7.439 14.502 1.00 0.00 C ATOM 425 O GLN A 42 2.840 -7.928 15.491 1.00 0.00 O ATOM 426 CB GLN A 42 2.392 -5.145 14.490 1.00 0.00 C ATOM 427 CG GLN A 42 1.534 -4.114 13.775 1.00 0.00 C ATOM 428 CD GLN A 42 1.540 -2.768 14.472 1.00 0.00 C ATOM 429 OE1 GLN A 42 1.490 -2.691 15.700 1.00 0.00 O ATOM 430 NE2 GLN A 42 1.601 -1.697 13.690 1.00 0.00 N ATOM 431 HE22 GLN A 42 1.642 -1.809 12.657 1.00 0.00 H ATOM 432 HE21 GLN A 42 1.608 -0.746 14.110 1.00 0.00 H ATOM 433 H GLN A 42 0.568 -6.366 13.183 1.00 0.00 H ATOM 434 N GLU A 43 4.612 -7.769 14.111 1.00 0.00 N ATOM 435 CA GLU A 43 5.419 -8.747 14.828 1.00 0.00 C ATOM 436 C GLU A 43 6.805 -8.176 15.108 1.00 0.00 C ATOM 437 O GLU A 43 7.661 -8.140 14.225 1.00 0.00 O ATOM 438 CB GLU A 43 5.540 -10.037 14.017 1.00 0.00 C ATOM 439 CG GLU A 43 4.911 -11.244 14.692 1.00 0.00 C ATOM 440 CD GLU A 43 5.415 -11.450 16.107 1.00 0.00 C ATOM 441 OE1 GLU A 43 4.840 -10.845 17.036 1.00 0.00 O ATOM 442 OE2 GLU A 43 6.385 -12.216 16.286 1.00 0.00 O ATOM 443 H GLU A 43 5.009 -7.314 13.264 1.00 0.00 H ATOM 444 N GLY A 44 7.016 -7.719 16.335 1.00 0.00 N ATOM 445 CA GLY A 44 8.297 -7.142 16.695 1.00 0.00 C ATOM 446 C GLY A 44 8.620 -5.922 15.851 1.00 0.00 C ATOM 447 O GLY A 44 7.792 -5.021 15.725 1.00 0.00 O ATOM 448 H GLY A 44 6.257 -7.775 17.044 1.00 0.00 H ATOM 449 N ASN A 45 9.811 -5.890 15.254 1.00 0.00 N ATOM 450 CA ASN A 45 10.196 -4.766 14.408 1.00 0.00 C ATOM 451 C ASN A 45 9.758 -5.003 12.967 1.00 0.00 C ATOM 452 O ASN A 45 10.219 -4.324 12.050 1.00 0.00 O ATOM 453 CB ASN A 45 11.708 -4.543 14.458 1.00 0.00 C ATOM 454 CG ASN A 45 12.495 -5.834 14.340 1.00 0.00 C ATOM 455 OD1 ASN A 45 12.998 -6.361 15.333 1.00 0.00 O ATOM 456 ND2 ASN A 45 12.606 -6.350 13.122 1.00 0.00 N ATOM 457 HD22 ASN A 45 12.164 -5.870 12.312 1.00 0.00 H ATOM 458 HD21 ASN A 45 13.135 -7.234 12.978 1.00 0.00 H ATOM 459 H ASN A 45 10.475 -6.678 15.393 1.00 0.00 H ATOM 460 N LYS A 46 8.867 -5.972 12.772 1.00 0.00 N ATOM 461 CA LYS A 46 8.376 -6.292 11.439 1.00 0.00 C ATOM 462 C LYS A 46 6.872 -6.549 11.451 1.00 0.00 C ATOM 463 O LYS A 46 6.353 -7.213 12.346 1.00 0.00 O ATOM 464 CB LYS A 46 9.128 -7.507 10.876 1.00 0.00 C ATOM 465 CG LYS A 46 8.354 -8.815 10.954 1.00 0.00 C ATOM 466 CD LYS A 46 7.419 -8.994 9.772 1.00 0.00 C ATOM 467 CE LYS A 46 7.734 -10.272 9.016 1.00 0.00 C ATOM 468 NZ LYS A 46 7.487 -11.484 9.845 1.00 0.00 N ATOM 469 HZ1 LYS A 46 8.088 -11.451 10.693 1.00 0.00 H ATOM 470 HZ2 LYS A 46 6.487 -11.511 10.128 1.00 0.00 H ATOM 471 HZ3 LYS A 46 7.715 -12.334 9.291 1.00 0.00 H ATOM 472 H LYS A 46 8.514 -6.512 13.588 1.00 0.00 H ATOM 473 N PHE A 47 6.178 -6.019 10.450 1.00 0.00 N ATOM 474 CA PHE A 47 4.734 -6.193 10.344 1.00 0.00 C ATOM 475 C PHE A 47 4.378 -7.066 9.145 1.00 0.00 C ATOM 476 O PHE A 47 4.865 -6.845 8.043 1.00 0.00 O ATOM 477 CB PHE A 47 4.045 -4.836 10.199 1.00 0.00 C ATOM 478 CG PHE A 47 4.289 -3.871 11.334 1.00 0.00 C ATOM 479 CD1 PHE A 47 4.934 -4.269 12.498 1.00 0.00 C ATOM 480 CD2 PHE A 47 3.864 -2.557 11.232 1.00 0.00 C ATOM 481 CE1 PHE A 47 5.149 -3.376 13.530 1.00 0.00 C ATOM 482 CE2 PHE A 47 4.075 -1.661 12.262 1.00 0.00 C ATOM 483 CZ PHE A 47 4.719 -2.070 13.412 1.00 0.00 C ATOM 484 H PHE A 47 6.677 -5.466 9.724 1.00 0.00 H ATOM 485 N THR A 48 3.512 -8.046 9.361 1.00 0.00 N ATOM 486 CA THR A 48 3.085 -8.940 8.287 1.00 0.00 C ATOM 487 C THR A 48 1.855 -8.381 7.580 1.00 0.00 C ATOM 488 O THR A 48 0.936 -7.877 8.227 1.00 0.00 O ATOM 489 CB THR A 48 2.768 -10.326 8.848 1.00 0.00 C ATOM 490 OG1 THR A 48 3.532 -10.583 10.012 1.00 0.00 O ATOM 491 CG2 THR A 48 3.033 -11.446 7.866 1.00 0.00 C ATOM 492 HG1 THR A 48 3.321 -9.903 10.700 1.00 0.00 H ATOM 493 H THR A 48 3.127 -8.182 10.318 1.00 0.00 H ATOM 494 N VAL A 49 1.836 -8.471 6.253 1.00 0.00 N ATOM 495 CA VAL A 49 0.707 -7.968 5.479 1.00 0.00 C ATOM 496 C VAL A 49 0.043 -9.077 4.675 1.00 0.00 C ATOM 497 O VAL A 49 0.618 -9.599 3.721 1.00 0.00 O ATOM 498 CB VAL A 49 1.133 -6.848 4.513 1.00 0.00 C ATOM 499 CG1 VAL A 49 -0.088 -6.190 3.888 1.00 0.00 C ATOM 500 CG2 VAL A 49 1.993 -5.820 5.230 1.00 0.00 C ATOM 501 H VAL A 49 2.640 -8.908 5.759 1.00 0.00 H ATOM 502 N LYS A 50 -1.180 -9.420 5.058 1.00 0.00 N ATOM 503 CA LYS A 50 -1.935 -10.454 4.367 1.00 0.00 C ATOM 504 C LYS A 50 -3.054 -9.825 3.545 1.00 0.00 C ATOM 505 O LYS A 50 -4.004 -9.272 4.096 1.00 0.00 O ATOM 506 CB LYS A 50 -2.518 -11.451 5.370 1.00 0.00 C ATOM 507 CG LYS A 50 -3.186 -12.646 4.716 1.00 0.00 C ATOM 508 CD LYS A 50 -2.163 -13.619 4.153 1.00 0.00 C ATOM 509 CE LYS A 50 -2.825 -14.883 3.630 1.00 0.00 C ATOM 510 NZ LYS A 50 -2.967 -15.917 4.693 1.00 0.00 N ATOM 511 HZ1 LYS A 50 -2.026 -16.169 5.058 1.00 0.00 H ATOM 512 HZ2 LYS A 50 -3.551 -15.539 5.467 1.00 0.00 H ATOM 513 HZ3 LYS A 50 -3.423 -16.762 4.294 1.00 0.00 H ATOM 514 H LYS A 50 -1.610 -8.938 5.873 1.00 0.00 H ATOM 515 N GLU A 51 -2.932 -9.901 2.225 1.00 0.00 N ATOM 516 CA GLU A 51 -3.936 -9.322 1.343 1.00 0.00 C ATOM 517 C GLU A 51 -4.936 -10.371 0.876 1.00 0.00 C ATOM 518 O GLU A 51 -4.560 -11.469 0.466 1.00 0.00 O ATOM 519 CB GLU A 51 -3.272 -8.661 0.135 1.00 0.00 C ATOM 520 CG GLU A 51 -2.027 -7.862 0.484 1.00 0.00 C ATOM 521 CD GLU A 51 -1.839 -6.653 -0.412 1.00 0.00 C ATOM 522 OE1 GLU A 51 -2.854 -6.117 -0.905 1.00 0.00 O ATOM 523 OE2 GLU A 51 -0.678 -6.243 -0.621 1.00 0.00 O ATOM 524 H GLU A 51 -2.106 -10.382 1.814 1.00 0.00 H ATOM 525 N SER A 52 -6.214 -10.016 0.937 1.00 0.00 N ATOM 526 CA SER A 52 -7.282 -10.913 0.518 1.00 0.00 C ATOM 527 C SER A 52 -8.028 -10.336 -0.680 1.00 0.00 C ATOM 528 O SER A 52 -8.278 -9.131 -0.749 1.00 0.00 O ATOM 529 CB SER A 52 -8.256 -11.156 1.672 1.00 0.00 C ATOM 530 OG SER A 52 -8.994 -12.350 1.474 1.00 0.00 O ATOM 531 HG SER A 52 -9.615 -12.483 2.234 1.00 0.00 H ATOM 532 H SER A 52 -6.459 -9.071 1.294 1.00 0.00 H ATOM 533 N SER A 53 -8.378 -11.201 -1.624 1.00 0.00 N ATOM 534 CA SER A 53 -9.094 -10.778 -2.821 1.00 0.00 C ATOM 535 C SER A 53 -9.999 -11.894 -3.333 1.00 0.00 C ATOM 536 O SER A 53 -9.942 -13.024 -2.849 1.00 0.00 O ATOM 537 CB SER A 53 -8.102 -10.362 -3.910 1.00 0.00 C ATOM 538 OG SER A 53 -8.249 -8.990 -4.236 1.00 0.00 O ATOM 539 HG SER A 53 -7.597 -8.748 -4.941 1.00 0.00 H ATOM 540 H SER A 53 -8.135 -12.205 -1.507 1.00 0.00 H ATOM 541 N ALA A 54 -10.833 -11.570 -4.316 1.00 0.00 N ATOM 542 CA ALA A 54 -11.750 -12.546 -4.895 1.00 0.00 C ATOM 543 C ALA A 54 -11.014 -13.815 -5.316 1.00 0.00 C ATOM 544 O ALA A 54 -11.181 -14.872 -4.706 1.00 0.00 O ATOM 545 CB ALA A 54 -12.483 -11.941 -6.083 1.00 0.00 C ATOM 546 H ALA A 54 -10.832 -10.596 -4.682 1.00 0.00 H ATOM 547 N PHE A 55 -10.201 -13.705 -6.361 1.00 0.00 N ATOM 548 CA PHE A 55 -9.441 -14.846 -6.862 1.00 0.00 C ATOM 549 C PHE A 55 -7.937 -14.613 -6.725 1.00 0.00 C ATOM 550 O PHE A 55 -7.162 -15.564 -6.618 1.00 0.00 O ATOM 551 CB PHE A 55 -9.793 -15.115 -8.326 1.00 0.00 C ATOM 552 CG PHE A 55 -9.581 -16.543 -8.741 1.00 0.00 C ATOM 553 CD1 PHE A 55 -8.301 -17.048 -8.906 1.00 0.00 C ATOM 554 CD2 PHE A 55 -10.662 -17.381 -8.965 1.00 0.00 C ATOM 555 CE1 PHE A 55 -8.103 -18.362 -9.287 1.00 0.00 C ATOM 556 CE2 PHE A 55 -10.470 -18.695 -9.346 1.00 0.00 C ATOM 557 CZ PHE A 55 -9.189 -19.186 -9.507 1.00 0.00 C ATOM 558 H PHE A 55 -10.104 -12.784 -6.833 1.00 0.00 H ATOM 559 N ARG A 56 -7.530 -13.347 -6.730 1.00 0.00 N ATOM 560 CA ARG A 56 -6.119 -12.998 -6.609 1.00 0.00 C ATOM 561 C ARG A 56 -5.710 -12.873 -5.144 1.00 0.00 C ATOM 562 O ARG A 56 -6.538 -12.583 -4.280 1.00 0.00 O ATOM 563 CB ARG A 56 -5.832 -11.688 -7.347 1.00 0.00 C ATOM 564 CG ARG A 56 -4.595 -11.744 -8.228 1.00 0.00 C ATOM 565 CD ARG A 56 -3.378 -11.174 -7.516 1.00 0.00 C ATOM 566 NE ARG A 56 -2.149 -11.382 -8.278 1.00 0.00 N ATOM 567 CZ ARG A 56 -1.575 -12.571 -8.449 1.00 0.00 C ATOM 568 NH1 ARG A 56 -2.115 -13.660 -7.916 1.00 0.00 N ATOM 569 NH2 ARG A 56 -0.456 -12.671 -9.154 1.00 0.00 N ATOM 570 HE ARG A 56 -1.696 -10.553 -8.712 1.00 0.00 H ATOM 571 HH12 ARG A 56 -1.662 -14.586 -8.053 1.00 0.00 H ATOM 572 HH11 ARG A 56 -2.992 -13.587 -7.361 1.00 0.00 H ATOM 573 HH22 ARG A 56 -0.007 -13.599 -9.288 1.00 0.00 H ATOM 574 HH21 ARG A 56 -0.028 -11.821 -9.573 1.00 0.00 H ATOM 575 H ARG A 56 -8.235 -12.588 -6.822 1.00 0.00 H ATOM 576 N ASN A 57 -4.427 -13.093 -4.873 1.00 0.00 N ATOM 577 CA ASN A 57 -3.905 -13.004 -3.514 1.00 0.00 C ATOM 578 C ASN A 57 -2.612 -12.195 -3.481 1.00 0.00 C ATOM 579 O ASN A 57 -1.835 -12.209 -4.436 1.00 0.00 O ATOM 580 CB ASN A 57 -3.660 -14.403 -2.947 1.00 0.00 C ATOM 581 CG ASN A 57 -4.868 -14.949 -2.211 1.00 0.00 C ATOM 582 OD1 ASN A 57 -5.793 -15.482 -2.824 1.00 0.00 O ATOM 583 ND2 ASN A 57 -4.865 -14.819 -0.890 1.00 0.00 N ATOM 584 HD22 ASN A 57 -4.061 -14.361 -0.414 1.00 0.00 H ATOM 585 HD21 ASN A 57 -5.666 -15.175 -0.331 1.00 0.00 H ATOM 586 H ASN A 57 -3.779 -13.335 -5.650 1.00 0.00 H ATOM 587 N ILE A 58 -2.388 -11.489 -2.377 1.00 0.00 N ATOM 588 CA ILE A 58 -1.189 -10.673 -2.221 1.00 0.00 C ATOM 589 C ILE A 58 -0.728 -10.657 -0.768 1.00 0.00 C ATOM 590 O ILE A 58 -1.520 -10.879 0.148 1.00 0.00 O ATOM 591 CB ILE A 58 -1.417 -9.222 -2.704 1.00 0.00 C ATOM 592 CG1 ILE A 58 -2.371 -9.197 -3.906 1.00 0.00 C ATOM 593 CG2 ILE A 58 -0.091 -8.571 -3.064 1.00 0.00 C ATOM 594 CD1 ILE A 58 -2.837 -7.806 -4.286 1.00 0.00 C ATOM 595 H ILE A 58 -3.085 -11.519 -1.606 1.00 0.00 H ATOM 596 N GLU A 59 0.561 -10.405 -0.561 1.00 0.00 N ATOM 597 CA GLU A 59 1.125 -10.373 0.783 1.00 0.00 C ATOM 598 C GLU A 59 2.544 -9.812 0.763 1.00 0.00 C ATOM 599 O GLU A 59 3.303 -10.049 -0.177 1.00 0.00 O ATOM 600 CB GLU A 59 1.120 -11.783 1.386 1.00 0.00 C ATOM 601 CG GLU A 59 1.882 -11.900 2.699 1.00 0.00 C ATOM 602 CD GLU A 59 1.036 -12.479 3.817 1.00 0.00 C ATOM 603 OE1 GLU A 59 0.537 -13.613 3.657 1.00 0.00 O ATOM 604 OE2 GLU A 59 0.874 -11.800 4.852 1.00 0.00 O ATOM 605 H GLU A 59 1.181 -10.227 -1.377 1.00 0.00 H ATOM 606 N VAL A 60 2.893 -9.066 1.806 1.00 0.00 N ATOM 607 CA VAL A 60 4.219 -8.471 1.907 1.00 0.00 C ATOM 608 C VAL A 60 4.582 -8.169 3.358 1.00 0.00 C ATOM 609 O VAL A 60 3.888 -7.417 4.040 1.00 0.00 O ATOM 610 CB VAL A 60 4.314 -7.171 1.079 1.00 0.00 C ATOM 611 CG1 VAL A 60 3.217 -6.196 1.479 1.00 0.00 C ATOM 612 CG2 VAL A 60 5.688 -6.528 1.231 1.00 0.00 C ATOM 613 H VAL A 60 2.204 -8.903 2.568 1.00 0.00 H ATOM 614 N VAL A 61 5.682 -8.749 3.820 1.00 0.00 N ATOM 615 CA VAL A 61 6.143 -8.525 5.183 1.00 0.00 C ATOM 616 C VAL A 61 6.785 -7.146 5.289 1.00 0.00 C ATOM 617 O VAL A 61 7.340 -6.640 4.315 1.00 0.00 O ATOM 618 CB VAL A 61 7.137 -9.624 5.656 1.00 0.00 C ATOM 619 CG1 VAL A 61 7.599 -10.500 4.506 1.00 0.00 C ATOM 620 CG2 VAL A 61 8.336 -9.024 6.382 1.00 0.00 C ATOM 621 H VAL A 61 6.227 -9.377 3.195 1.00 0.00 H ATOM 622 N PHE A 62 6.706 -6.541 6.471 1.00 0.00 N ATOM 623 CA PHE A 62 7.275 -5.218 6.688 1.00 0.00 C ATOM 624 C PHE A 62 8.239 -5.241 7.853 1.00 0.00 C ATOM 625 O PHE A 62 8.098 -6.043 8.769 1.00 0.00 O ATOM 626 CB PHE A 62 6.170 -4.189 6.960 1.00 0.00 C ATOM 627 CG PHE A 62 5.230 -3.944 5.807 1.00 0.00 C ATOM 628 CD1 PHE A 62 5.561 -4.325 4.516 1.00 0.00 C ATOM 629 CD2 PHE A 62 4.010 -3.322 6.021 1.00 0.00 C ATOM 630 CE1 PHE A 62 4.696 -4.090 3.464 1.00 0.00 C ATOM 631 CE2 PHE A 62 3.140 -3.086 4.973 1.00 0.00 C ATOM 632 CZ PHE A 62 3.485 -3.469 3.693 1.00 0.00 C ATOM 633 H PHE A 62 6.227 -7.024 7.258 1.00 0.00 H ATOM 634 N GLU A 63 9.220 -4.359 7.804 1.00 0.00 N ATOM 635 CA GLU A 63 10.217 -4.278 8.852 1.00 0.00 C ATOM 636 C GLU A 63 10.723 -2.847 8.997 1.00 0.00 C ATOM 637 O GLU A 63 11.286 -2.281 8.060 1.00 0.00 O ATOM 638 CB GLU A 63 11.360 -5.236 8.534 1.00 0.00 C ATOM 639 CG GLU A 63 12.131 -5.698 9.760 1.00 0.00 C ATOM 640 CD GLU A 63 13.261 -6.649 9.417 1.00 0.00 C ATOM 641 OE1 GLU A 63 12.976 -7.738 8.875 1.00 0.00 O ATOM 642 OE2 GLU A 63 14.430 -6.306 9.691 1.00 0.00 O ATOM 643 H GLU A 63 9.278 -3.708 6.995 1.00 0.00 H ATOM 644 N LEU A 64 10.511 -2.262 10.173 1.00 0.00 N ATOM 645 CA LEU A 64 10.940 -0.892 10.425 1.00 0.00 C ATOM 646 C LEU A 64 12.450 -0.760 10.260 1.00 0.00 C ATOM 647 O LEU A 64 13.222 -1.239 11.090 1.00 0.00 O ATOM 648 CB LEU A 64 10.513 -0.448 11.827 1.00 0.00 C ATOM 649 CG LEU A 64 9.024 -0.630 12.142 1.00 0.00 C ATOM 650 CD1 LEU A 64 8.697 -0.054 13.511 1.00 0.00 C ATOM 651 CD2 LEU A 64 8.169 0.028 11.070 1.00 0.00 C ATOM 652 H LEU A 64 10.030 -2.793 10.927 1.00 0.00 H ATOM 653 N GLY A 65 12.861 -0.116 9.171 1.00 0.00 N ATOM 654 CA GLY A 65 14.275 0.059 8.898 1.00 0.00 C ATOM 655 C GLY A 65 14.762 -0.876 7.811 1.00 0.00 C ATOM 656 O GLY A 65 15.943 -1.217 7.752 1.00 0.00 O ATOM 657 H GLY A 65 12.159 0.267 8.506 1.00 0.00 H ATOM 658 N VAL A 66 13.841 -1.286 6.947 1.00 0.00 N ATOM 659 CA VAL A 66 14.160 -2.183 5.848 1.00 0.00 C ATOM 660 C VAL A 66 13.483 -1.717 4.570 1.00 0.00 C ATOM 661 O VAL A 66 12.542 -0.922 4.606 1.00 0.00 O ATOM 662 CB VAL A 66 13.738 -3.628 6.169 1.00 0.00 C ATOM 663 CG1 VAL A 66 14.134 -4.572 5.044 1.00 0.00 C ATOM 664 CG2 VAL A 66 14.355 -4.068 7.486 1.00 0.00 C ATOM 665 H VAL A 66 12.861 -0.955 7.060 1.00 0.00 H ATOM 666 N THR A 67 13.987 -2.190 3.442 1.00 0.00 N ATOM 667 CA THR A 67 13.453 -1.797 2.151 1.00 0.00 C ATOM 668 C THR A 67 12.236 -2.632 1.750 1.00 0.00 C ATOM 669 O THR A 67 12.132 -3.812 2.085 1.00 0.00 O ATOM 670 CB THR A 67 14.558 -1.900 1.093 1.00 0.00 C ATOM 671 OG1 THR A 67 15.336 -0.717 1.073 1.00 0.00 O ATOM 672 CG2 THR A 67 14.049 -2.133 -0.316 1.00 0.00 C ATOM 673 HG1 THR A 67 14.755 0.055 0.858 1.00 0.00 H ATOM 674 H THR A 67 14.783 -2.858 3.481 1.00 0.00 H ATOM 675 N PHE A 68 11.329 -1.997 1.011 1.00 0.00 N ATOM 676 CA PHE A 68 10.118 -2.647 0.527 1.00 0.00 C ATOM 677 C PHE A 68 10.421 -3.416 -0.751 1.00 0.00 C ATOM 678 O PHE A 68 11.353 -3.078 -1.481 1.00 0.00 O ATOM 679 CB PHE A 68 9.024 -1.603 0.261 1.00 0.00 C ATOM 680 CG PHE A 68 7.943 -1.534 1.313 1.00 0.00 C ATOM 681 CD1 PHE A 68 8.107 -2.135 2.553 1.00 0.00 C ATOM 682 CD2 PHE A 68 6.753 -0.866 1.054 1.00 0.00 C ATOM 683 CE1 PHE A 68 7.110 -2.073 3.504 1.00 0.00 C ATOM 684 CE2 PHE A 68 5.754 -0.802 2.003 1.00 0.00 C ATOM 685 CZ PHE A 68 5.932 -1.408 3.229 1.00 0.00 C ATOM 686 H PHE A 68 11.491 -0.998 0.770 1.00 0.00 H ATOM 687 N ASN A 69 9.635 -4.450 -1.015 1.00 0.00 N ATOM 688 CA ASN A 69 9.831 -5.267 -2.206 1.00 0.00 C ATOM 689 C ASN A 69 8.506 -5.584 -2.888 1.00 0.00 C ATOM 690 O ASN A 69 7.578 -6.097 -2.262 1.00 0.00 O ATOM 691 CB ASN A 69 10.552 -6.566 -1.843 1.00 0.00 C ATOM 692 CG ASN A 69 12.057 -6.395 -1.785 1.00 0.00 C ATOM 693 OD1 ASN A 69 12.590 -5.795 -0.852 1.00 0.00 O ATOM 694 ND2 ASN A 69 12.752 -6.925 -2.785 1.00 0.00 N ATOM 695 HD22 ASN A 69 12.260 -7.424 -3.553 1.00 0.00 H ATOM 696 HD21 ASN A 69 13.789 -6.841 -2.800 1.00 0.00 H ATOM 697 H ASN A 69 8.863 -4.683 -0.359 1.00 0.00 H ATOM 698 N TYR A 70 8.431 -5.281 -4.179 1.00 0.00 N ATOM 699 CA TYR A 70 7.227 -5.538 -4.959 1.00 0.00 C ATOM 700 C TYR A 70 7.571 -5.703 -6.436 1.00 0.00 C ATOM 701 O TYR A 70 6.843 -5.237 -7.313 1.00 0.00 O ATOM 702 CB TYR A 70 6.217 -4.403 -4.769 1.00 0.00 C ATOM 703 CG TYR A 70 4.941 -4.840 -4.084 1.00 0.00 C ATOM 704 CD1 TYR A 70 4.329 -6.042 -4.415 1.00 0.00 C ATOM 705 CD2 TYR A 70 4.351 -4.051 -3.105 1.00 0.00 C ATOM 706 CE1 TYR A 70 3.164 -6.445 -3.790 1.00 0.00 C ATOM 707 CE2 TYR A 70 3.187 -4.448 -2.475 1.00 0.00 C ATOM 708 CZ TYR A 70 2.598 -5.645 -2.821 1.00 0.00 C ATOM 709 OH TYR A 70 1.439 -6.043 -2.196 1.00 0.00 O ATOM 710 HH TYR A 70 0.731 -5.370 -2.357 1.00 0.00 H ATOM 711 H TYR A 70 9.254 -4.849 -4.646 1.00 0.00 H ATOM 712 N ASN A 71 8.690 -6.370 -6.702 1.00 0.00 N ATOM 713 CA ASN A 71 9.139 -6.601 -8.070 1.00 0.00 C ATOM 714 C ASN A 71 8.236 -7.606 -8.776 1.00 0.00 C ATOM 715 O ASN A 71 8.197 -8.782 -8.414 1.00 0.00 O ATOM 716 CB ASN A 71 10.584 -7.103 -8.076 1.00 0.00 C ATOM 717 CG ASN A 71 11.581 -5.999 -7.781 1.00 0.00 C ATOM 718 OD1 ASN A 71 11.461 -5.289 -6.783 1.00 0.00 O ATOM 719 ND2 ASN A 71 12.573 -5.849 -8.651 1.00 0.00 N ATOM 720 HD22 ASN A 71 12.635 -6.472 -9.481 1.00 0.00 H ATOM 721 HD21 ASN A 71 13.288 -5.108 -8.502 1.00 0.00 H ATOM 722 H ASN A 71 9.260 -6.737 -5.913 1.00 0.00 H ATOM 723 N LEU A 72 7.513 -7.136 -9.786 1.00 0.00 N ATOM 724 CA LEU A 72 6.611 -7.994 -10.544 1.00 0.00 C ATOM 725 C LEU A 72 6.628 -7.628 -12.024 1.00 0.00 C ATOM 726 O LEU A 72 5.944 -6.698 -12.451 1.00 0.00 O ATOM 727 CB LEU A 72 5.187 -7.884 -9.996 1.00 0.00 C ATOM 728 CG LEU A 72 4.364 -9.171 -10.068 1.00 0.00 C ATOM 729 CD1 LEU A 72 4.721 -10.098 -8.917 1.00 0.00 C ATOM 730 CD2 LEU A 72 2.876 -8.853 -10.057 1.00 0.00 C ATOM 731 H LEU A 72 7.592 -6.131 -10.042 1.00 0.00 H ATOM 732 N ALA A 73 7.414 -8.365 -12.802 1.00 0.00 N ATOM 733 CA ALA A 73 7.520 -8.119 -14.236 1.00 0.00 C ATOM 734 C ALA A 73 6.149 -8.154 -14.903 1.00 0.00 C ATOM 735 O ALA A 73 5.932 -7.514 -15.932 1.00 0.00 O ATOM 736 CB ALA A 73 8.448 -9.139 -14.878 1.00 0.00 C ATOM 737 H ALA A 73 7.967 -9.137 -12.378 1.00 0.00 H ATOM 738 N ASP A 74 5.226 -8.905 -14.310 1.00 0.00 N ATOM 739 CA ASP A 74 3.876 -9.021 -14.846 1.00 0.00 C ATOM 740 C ASP A 74 3.107 -7.715 -14.673 1.00 0.00 C ATOM 741 O ASP A 74 2.238 -7.384 -15.480 1.00 0.00 O ATOM 742 CB ASP A 74 3.127 -10.163 -14.156 1.00 0.00 C ATOM 743 CG ASP A 74 3.398 -11.507 -14.804 1.00 0.00 C ATOM 744 OD1 ASP A 74 4.551 -11.981 -14.726 1.00 0.00 O ATOM 745 OD2 ASP A 74 2.458 -12.084 -15.389 1.00 0.00 O ATOM 746 H ASP A 74 5.474 -9.422 -13.442 1.00 0.00 H ATOM 747 N GLY A 75 3.431 -6.977 -13.616 1.00 0.00 N ATOM 748 CA GLY A 75 2.761 -5.717 -13.359 1.00 0.00 C ATOM 749 C GLY A 75 3.732 -4.565 -13.206 1.00 0.00 C ATOM 750 O GLY A 75 3.899 -3.760 -14.122 1.00 0.00 O ATOM 751 H GLY A 75 4.173 -7.307 -12.966 1.00 0.00 H ATOM 752 N THR A 76 4.366 -4.479 -12.042 1.00 0.00 N ATOM 753 CA THR A 76 5.315 -3.411 -11.773 1.00 0.00 C ATOM 754 C THR A 76 6.277 -3.794 -10.651 1.00 0.00 C ATOM 755 O THR A 76 6.040 -4.752 -9.915 1.00 0.00 O ATOM 756 CB THR A 76 4.554 -2.140 -11.403 1.00 0.00 C ATOM 757 OG1 THR A 76 5.420 -1.019 -11.381 1.00 0.00 O ATOM 758 CG2 THR A 76 3.868 -2.225 -10.056 1.00 0.00 C ATOM 759 HG1 THR A 76 4.904 -0.209 -11.139 1.00 0.00 H ATOM 760 H THR A 76 4.180 -5.191 -11.307 1.00 0.00 H ATOM 761 N GLU A 77 7.361 -3.035 -10.526 1.00 0.00 N ATOM 762 CA GLU A 77 8.359 -3.286 -9.493 1.00 0.00 C ATOM 763 C GLU A 77 8.612 -2.025 -8.674 1.00 0.00 C ATOM 764 O GLU A 77 8.992 -0.988 -9.218 1.00 0.00 O ATOM 765 CB GLU A 77 9.666 -3.772 -10.123 1.00 0.00 C ATOM 766 CG GLU A 77 9.477 -4.896 -11.129 1.00 0.00 C ATOM 767 CD GLU A 77 10.547 -4.904 -12.202 1.00 0.00 C ATOM 768 OE1 GLU A 77 10.793 -3.837 -12.804 1.00 0.00 O ATOM 769 OE2 GLU A 77 11.140 -5.977 -12.441 1.00 0.00 O ATOM 770 H GLU A 77 7.501 -2.241 -11.183 1.00 0.00 H ATOM 771 N LEU A 78 8.394 -2.117 -7.366 1.00 0.00 N ATOM 772 CA LEU A 78 8.594 -0.976 -6.481 1.00 0.00 C ATOM 773 C LEU A 78 9.333 -1.386 -5.207 1.00 0.00 C ATOM 774 O LEU A 78 8.904 -2.289 -4.489 1.00 0.00 O ATOM 775 CB LEU A 78 7.242 -0.338 -6.138 1.00 0.00 C ATOM 776 CG LEU A 78 6.815 0.806 -7.068 1.00 0.00 C ATOM 777 CD1 LEU A 78 5.486 0.497 -7.737 1.00 0.00 C ATOM 778 CD2 LEU A 78 6.721 2.121 -6.322 1.00 0.00 C ATOM 779 H LEU A 78 8.074 -3.022 -6.966 1.00 0.00 H ATOM 780 N ARG A 79 10.452 -0.712 -4.941 1.00 0.00 N ATOM 781 CA ARG A 79 11.270 -0.992 -3.760 1.00 0.00 C ATOM 782 C ARG A 79 11.546 0.287 -2.972 1.00 0.00 C ATOM 783 O ARG A 79 12.064 1.250 -3.520 1.00 0.00 O ATOM 784 CB ARG A 79 12.599 -1.610 -4.186 1.00 0.00 C ATOM 785 CG ARG A 79 12.454 -2.729 -5.204 1.00 0.00 C ATOM 786 CD ARG A 79 13.486 -3.824 -4.983 1.00 0.00 C ATOM 787 NE ARG A 79 14.475 -3.869 -6.057 1.00 0.00 N ATOM 788 CZ ARG A 79 15.508 -3.034 -6.149 1.00 0.00 C ATOM 789 NH1 ARG A 79 15.691 -2.090 -5.235 1.00 0.00 N ATOM 790 NH2 ARG A 79 16.361 -3.145 -7.159 1.00 0.00 N ATOM 791 HE ARG A 79 14.366 -4.596 -6.793 1.00 0.00 H ATOM 792 HH12 ARG A 79 16.500 -1.441 -5.313 1.00 0.00 H ATOM 793 HH11 ARG A 79 15.026 -1.999 -4.441 1.00 0.00 H ATOM 794 HH22 ARG A 79 17.168 -2.493 -7.232 1.00 0.00 H ATOM 795 HH21 ARG A 79 16.222 -3.884 -7.878 1.00 0.00 H ATOM 796 H ARG A 79 10.754 0.038 -5.595 1.00 0.00 H ATOM 797 N GLY A 80 11.216 0.295 -1.686 1.00 0.00 N ATOM 798 CA GLY A 80 11.462 1.482 -0.878 1.00 0.00 C ATOM 799 C GLY A 80 11.824 1.152 0.556 1.00 0.00 C ATOM 800 O GLY A 80 12.811 0.468 0.802 1.00 0.00 O ATOM 801 H GLY A 80 10.782 -0.546 -1.255 1.00 0.00 H ATOM 802 N THR A 81 11.019 1.637 1.501 1.00 0.00 N ATOM 803 CA THR A 81 11.251 1.383 2.922 1.00 0.00 C ATOM 804 C THR A 81 9.965 1.559 3.723 1.00 0.00 C ATOM 805 O THR A 81 8.936 1.961 3.185 1.00 0.00 O ATOM 806 CB THR A 81 12.329 2.316 3.474 1.00 0.00 C ATOM 807 OG1 THR A 81 12.180 3.623 2.949 1.00 0.00 O ATOM 808 CG2 THR A 81 13.734 1.853 3.165 1.00 0.00 C ATOM 809 HG1 THR A 81 12.887 4.209 3.319 1.00 0.00 H ATOM 810 H THR A 81 10.201 2.214 1.219 1.00 0.00 H ATOM 811 N TRP A 82 10.034 1.262 5.016 1.00 0.00 N ATOM 812 CA TRP A 82 8.879 1.397 5.899 1.00 0.00 C ATOM 813 C TRP A 82 9.329 1.667 7.328 1.00 0.00 C ATOM 814 O TRP A 82 10.159 0.941 7.874 1.00 0.00 O ATOM 815 CB TRP A 82 8.016 0.136 5.858 1.00 0.00 C ATOM 816 CG TRP A 82 6.552 0.413 6.024 1.00 0.00 C ATOM 817 CD1 TRP A 82 5.687 0.842 5.061 1.00 0.00 C ATOM 818 CD2 TRP A 82 5.782 0.284 7.226 1.00 0.00 C ATOM 819 NE1 TRP A 82 4.426 0.984 5.586 1.00 0.00 N ATOM 820 CE2 TRP A 82 4.458 0.649 6.914 1.00 0.00 C ATOM 821 CE3 TRP A 82 6.080 -0.105 8.535 1.00 0.00 C ATOM 822 CZ2 TRP A 82 3.438 0.635 7.861 1.00 0.00 C ATOM 823 CZ3 TRP A 82 5.066 -0.118 9.474 1.00 0.00 C ATOM 824 CH2 TRP A 82 3.759 0.250 9.133 1.00 0.00 C ATOM 825 HE1 TRP A 82 3.584 1.295 5.061 1.00 0.00 H ATOM 826 H TRP A 82 10.935 0.924 5.410 1.00 0.00 H ATOM 827 N SER A 83 8.780 2.714 7.928 1.00 0.00 N ATOM 828 CA SER A 83 9.128 3.077 9.295 1.00 0.00 C ATOM 829 C SER A 83 7.930 3.686 10.013 1.00 0.00 C ATOM 830 O SER A 83 7.080 4.324 9.392 1.00 0.00 O ATOM 831 CB SER A 83 10.300 4.061 9.301 1.00 0.00 C ATOM 832 OG SER A 83 11.445 3.487 9.907 1.00 0.00 O ATOM 833 HG SER A 83 12.186 4.143 9.897 1.00 0.00 H ATOM 834 H SER A 83 8.085 3.289 7.411 1.00 0.00 H ATOM 835 N LEU A 84 7.868 3.484 11.324 1.00 0.00 N ATOM 836 CA LEU A 84 6.771 4.014 12.122 1.00 0.00 C ATOM 837 C LEU A 84 7.285 4.974 13.187 1.00 0.00 C ATOM 838 O LEU A 84 8.200 4.651 13.944 1.00 0.00 O ATOM 839 CB LEU A 84 5.992 2.875 12.778 1.00 0.00 C ATOM 840 CG LEU A 84 4.472 3.059 12.793 1.00 0.00 C ATOM 841 CD1 LEU A 84 3.775 1.777 12.365 1.00 0.00 C ATOM 842 CD2 LEU A 84 3.999 3.490 14.173 1.00 0.00 C ATOM 843 H LEU A 84 8.619 2.936 11.791 1.00 0.00 H ATOM 844 N GLU A 85 6.685 6.155 13.238 1.00 0.00 N ATOM 845 CA GLU A 85 7.071 7.170 14.208 1.00 0.00 C ATOM 846 C GLU A 85 5.925 7.449 15.173 1.00 0.00 C ATOM 847 O GLU A 85 5.040 8.255 14.885 1.00 0.00 O ATOM 848 CB GLU A 85 7.480 8.459 13.494 1.00 0.00 C ATOM 849 CG GLU A 85 8.470 8.238 12.362 1.00 0.00 C ATOM 850 CD GLU A 85 9.897 8.557 12.765 1.00 0.00 C ATOM 851 OE1 GLU A 85 10.311 9.725 12.607 1.00 0.00 O ATOM 852 OE2 GLU A 85 10.599 7.639 13.238 1.00 0.00 O ATOM 853 H GLU A 85 5.918 6.362 12.567 1.00 0.00 H ATOM 854 N GLY A 86 5.941 6.772 16.316 1.00 0.00 N ATOM 855 CA GLY A 86 4.892 6.958 17.300 1.00 0.00 C ATOM 856 C GLY A 86 3.606 6.267 16.903 1.00 0.00 C ATOM 857 O GLY A 86 3.488 5.047 17.015 1.00 0.00 O ATOM 858 H GLY A 86 6.713 6.102 16.507 1.00 0.00 H ATOM 859 N ASN A 87 2.641 7.048 16.439 1.00 0.00 N ATOM 860 CA ASN A 87 1.356 6.504 16.022 1.00 0.00 C ATOM 861 C ASN A 87 1.138 6.689 14.521 1.00 0.00 C ATOM 862 O ASN A 87 0.004 6.662 14.044 1.00 0.00 O ATOM 863 CB ASN A 87 0.220 7.172 16.798 1.00 0.00 C ATOM 864 CG ASN A 87 0.320 8.685 16.782 1.00 0.00 C ATOM 865 OD1 ASN A 87 0.880 9.292 17.695 1.00 0.00 O ATOM 866 ND2 ASN A 87 -0.225 9.303 15.740 1.00 0.00 N ATOM 867 HD22 ASN A 87 -0.688 8.750 14.991 1.00 0.00 H ATOM 868 HD21 ASN A 87 -0.188 10.340 15.673 1.00 0.00 H ATOM 869 H ASN A 87 2.805 8.073 16.371 1.00 0.00 H ATOM 870 N LYS A 88 2.228 6.881 13.781 1.00 0.00 N ATOM 871 CA LYS A 88 2.143 7.073 12.337 1.00 0.00 C ATOM 872 C LYS A 88 3.183 6.228 11.605 1.00 0.00 C ATOM 873 O LYS A 88 4.309 6.065 12.075 1.00 0.00 O ATOM 874 CB LYS A 88 2.335 8.550 11.988 1.00 0.00 C ATOM 875 CG LYS A 88 1.380 9.478 12.721 1.00 0.00 C ATOM 876 CD LYS A 88 2.126 10.547 13.503 1.00 0.00 C ATOM 877 CE LYS A 88 2.958 11.430 12.586 1.00 0.00 C ATOM 878 NZ LYS A 88 2.105 12.296 11.726 1.00 0.00 N ATOM 879 HZ1 LYS A 88 1.491 11.699 11.136 1.00 0.00 H ATOM 880 HZ2 LYS A 88 1.519 12.910 12.327 1.00 0.00 H ATOM 881 HZ3 LYS A 88 2.711 12.882 11.117 1.00 0.00 H ATOM 882 H LYS A 88 3.160 6.894 14.242 1.00 0.00 H ATOM 883 N LEU A 89 2.795 5.698 10.449 1.00 0.00 N ATOM 884 CA LEU A 89 3.688 4.873 9.642 1.00 0.00 C ATOM 885 C LEU A 89 3.967 5.540 8.299 1.00 0.00 C ATOM 886 O LEU A 89 3.068 6.115 7.686 1.00 0.00 O ATOM 887 CB LEU A 89 3.072 3.491 9.417 1.00 0.00 C ATOM 888 CG LEU A 89 1.717 3.496 8.707 1.00 0.00 C ATOM 889 CD1 LEU A 89 1.900 3.342 7.204 1.00 0.00 C ATOM 890 CD2 LEU A 89 0.822 2.392 9.254 1.00 0.00 C ATOM 891 H LEU A 89 1.828 5.876 10.110 1.00 0.00 H ATOM 892 N ILE A 90 5.216 5.467 7.846 1.00 0.00 N ATOM 893 CA ILE A 90 5.594 6.076 6.575 1.00 0.00 C ATOM 894 C ILE A 90 6.325 5.090 5.668 1.00 0.00 C ATOM 895 O ILE A 90 7.539 4.916 5.771 1.00 0.00 O ATOM 896 CB ILE A 90 6.488 7.317 6.778 1.00 0.00 C ATOM 897 CG1 ILE A 90 6.090 8.068 8.053 1.00 0.00 C ATOM 898 CG2 ILE A 90 6.393 8.235 5.566 1.00 0.00 C ATOM 899 CD1 ILE A 90 6.940 7.714 9.254 1.00 0.00 C ATOM 900 H ILE A 90 5.935 4.967 8.407 1.00 0.00 H ATOM 901 N GLY A 91 5.577 4.460 4.767 1.00 0.00 N ATOM 902 CA GLY A 91 6.164 3.514 3.838 1.00 0.00 C ATOM 903 C GLY A 91 6.726 4.201 2.610 1.00 0.00 C ATOM 904 O GLY A 91 6.467 5.383 2.382 1.00 0.00 O ATOM 905 H GLY A 91 4.555 4.649 4.728 1.00 0.00 H ATOM 906 N LYS A 92 7.502 3.471 1.819 1.00 0.00 N ATOM 907 CA LYS A 92 8.098 4.037 0.618 1.00 0.00 C ATOM 908 C LYS A 92 8.407 2.964 -0.421 1.00 0.00 C ATOM 909 O LYS A 92 8.567 1.788 -0.091 1.00 0.00 O ATOM 910 CB LYS A 92 9.383 4.783 0.978 1.00 0.00 C ATOM 911 CG LYS A 92 9.155 6.232 1.373 1.00 0.00 C ATOM 912 CD LYS A 92 9.564 6.493 2.814 1.00 0.00 C ATOM 913 CE LYS A 92 8.811 7.677 3.395 1.00 0.00 C ATOM 914 NZ LYS A 92 9.575 8.342 4.485 1.00 0.00 N ATOM 915 HZ1 LYS A 92 9.750 7.660 5.250 1.00 0.00 H ATOM 916 HZ2 LYS A 92 10.483 8.685 4.111 1.00 0.00 H ATOM 917 HZ3 LYS A 92 9.025 9.144 4.853 1.00 0.00 H ATOM 918 H LYS A 92 7.688 2.477 2.062 1.00 0.00 H ATOM 919 N PHE A 93 8.528 3.393 -1.674 1.00 0.00 N ATOM 920 CA PHE A 93 8.865 2.495 -2.775 1.00 0.00 C ATOM 921 C PHE A 93 9.743 3.221 -3.790 1.00 0.00 C ATOM 922 O PHE A 93 9.919 4.437 -3.720 1.00 0.00 O ATOM 923 CB PHE A 93 7.630 1.970 -3.514 1.00 0.00 C ATOM 924 CG PHE A 93 6.831 0.916 -2.792 1.00 0.00 C ATOM 925 CD1 PHE A 93 7.293 -0.390 -2.730 1.00 0.00 C ATOM 926 CD2 PHE A 93 5.603 1.214 -2.213 1.00 0.00 C ATOM 927 CE1 PHE A 93 6.553 -1.376 -2.108 1.00 0.00 C ATOM 928 CE2 PHE A 93 4.864 0.230 -1.583 1.00 0.00 C ATOM 929 CZ PHE A 93 5.338 -1.066 -1.532 1.00 0.00 C ATOM 930 H PHE A 93 8.378 4.402 -1.876 1.00 0.00 H ATOM 931 N LYS A 94 10.264 2.467 -4.749 1.00 0.00 N ATOM 932 CA LYS A 94 11.097 3.026 -5.808 1.00 0.00 C ATOM 933 C LYS A 94 11.017 2.155 -7.055 1.00 0.00 C ATOM 934 O LYS A 94 11.231 0.945 -6.993 1.00 0.00 O ATOM 935 CB LYS A 94 12.557 3.166 -5.366 1.00 0.00 C ATOM 936 CG LYS A 94 12.890 4.525 -4.776 1.00 0.00 C ATOM 937 CD LYS A 94 13.439 5.470 -5.833 1.00 0.00 C ATOM 938 CE LYS A 94 14.955 5.551 -5.787 1.00 0.00 C ATOM 939 NZ LYS A 94 15.463 5.749 -4.401 1.00 0.00 N ATOM 940 HZ1 LYS A 94 15.079 6.635 -4.015 1.00 0.00 H ATOM 941 HZ2 LYS A 94 15.162 4.951 -3.806 1.00 0.00 H ATOM 942 HZ3 LYS A 94 16.502 5.799 -4.418 1.00 0.00 H ATOM 943 H LYS A 94 10.072 1.445 -4.746 1.00 0.00 H ATOM 944 N ARG A 95 10.704 2.776 -8.185 1.00 0.00 N ATOM 945 CA ARG A 95 10.593 2.050 -9.443 1.00 0.00 C ATOM 946 C ARG A 95 11.967 1.732 -10.015 1.00 0.00 C ATOM 947 O ARG A 95 12.910 2.512 -9.873 1.00 0.00 O ATOM 948 CB ARG A 95 9.785 2.855 -10.460 1.00 0.00 C ATOM 949 CG ARG A 95 8.331 2.426 -10.559 1.00 0.00 C ATOM 950 CD ARG A 95 7.850 2.424 -12.001 1.00 0.00 C ATOM 951 NE ARG A 95 8.619 1.502 -12.833 1.00 0.00 N ATOM 952 CZ ARG A 95 8.198 1.036 -14.007 1.00 0.00 C ATOM 953 NH1 ARG A 95 7.020 1.408 -14.493 1.00 0.00 N ATOM 954 NH2 ARG A 95 8.958 0.198 -14.699 1.00 0.00 N ATOM 955 HE ARG A 95 9.550 1.191 -12.488 1.00 0.00 H ATOM 956 HH12 ARG A 95 6.697 1.041 -15.411 1.00 0.00 H ATOM 957 HH11 ARG A 95 6.421 2.067 -13.956 1.00 0.00 H ATOM 958 HH22 ARG A 95 8.629 -0.166 -15.616 1.00 0.00 H ATOM 959 HH21 ARG A 95 9.883 -0.095 -14.325 1.00 0.00 H ATOM 960 H ARG A 95 10.534 3.802 -8.172 1.00 0.00 H ATOM 961 N THR A 96 12.063 0.581 -10.664 1.00 0.00 N ATOM 962 CA THR A 96 13.310 0.138 -11.269 1.00 0.00 C ATOM 963 C THR A 96 13.552 0.844 -12.605 1.00 0.00 C ATOM 964 O THR A 96 14.683 0.903 -13.089 1.00 0.00 O ATOM 965 CB THR A 96 13.273 -1.384 -11.448 1.00 0.00 C ATOM 966 OG1 THR A 96 14.056 -2.021 -10.455 1.00 0.00 O ATOM 967 CG2 THR A 96 13.766 -1.870 -12.797 1.00 0.00 C ATOM 968 HG1 THR A 96 14.020 -3.002 -10.587 1.00 0.00 H ATOM 969 H THR A 96 11.221 -0.025 -10.743 1.00 0.00 H ATOM 970 N ASP A 97 12.485 1.378 -13.195 1.00 0.00 N ATOM 971 CA ASP A 97 12.582 2.077 -14.474 1.00 0.00 C ATOM 972 C ASP A 97 13.687 3.130 -14.443 1.00 0.00 C ATOM 973 O ASP A 97 14.532 3.183 -15.337 1.00 0.00 O ATOM 974 CB ASP A 97 11.244 2.734 -14.819 1.00 0.00 C ATOM 975 CG ASP A 97 11.271 3.433 -16.165 1.00 0.00 C ATOM 976 OD1 ASP A 97 11.767 4.577 -16.230 1.00 0.00 O ATOM 977 OD2 ASP A 97 10.796 2.835 -17.153 1.00 0.00 O ATOM 978 H ASP A 97 11.557 1.295 -12.733 1.00 0.00 H ATOM 979 N ASN A 98 13.674 3.965 -13.410 1.00 0.00 N ATOM 980 CA ASN A 98 14.676 5.015 -13.264 1.00 0.00 C ATOM 981 C ASN A 98 14.827 5.421 -11.802 1.00 0.00 C ATOM 982 O ASN A 98 15.140 6.572 -11.496 1.00 0.00 O ATOM 983 CB ASN A 98 14.294 6.233 -14.107 1.00 0.00 C ATOM 984 CG ASN A 98 15.502 6.907 -14.729 1.00 0.00 C ATOM 985 OD1 ASN A 98 16.473 7.223 -14.041 1.00 0.00 O ATOM 986 ND2 ASN A 98 15.447 7.129 -16.037 1.00 0.00 N ATOM 987 HD22 ASN A 98 14.605 6.845 -16.578 1.00 0.00 H ATOM 988 HD21 ASN A 98 16.246 7.587 -16.521 1.00 0.00 H ATOM 989 H ASN A 98 12.932 3.868 -12.688 1.00 0.00 H ATOM 990 N GLY A 99 14.603 4.469 -10.902 1.00 0.00 N ATOM 991 CA GLY A 99 14.718 4.745 -9.483 1.00 0.00 C ATOM 992 C GLY A 99 13.822 5.884 -9.038 1.00 0.00 C ATOM 993 O GLY A 99 14.272 6.807 -8.359 1.00 0.00 O ATOM 994 H GLY A 99 14.342 3.514 -11.220 1.00 0.00 H ATOM 995 N ASN A 100 12.549 5.816 -9.415 1.00 0.00 N ATOM 996 CA ASN A 100 11.589 6.848 -9.041 1.00 0.00 C ATOM 997 C ASN A 100 11.229 6.721 -7.562 1.00 0.00 C ATOM 998 O ASN A 100 11.038 5.621 -7.057 1.00 0.00 O ATOM 999 CB ASN A 100 10.338 6.748 -9.913 1.00 0.00 C ATOM 1000 CG ASN A 100 10.593 7.173 -11.347 1.00 0.00 C ATOM 1001 OD1 ASN A 100 10.242 6.462 -12.288 1.00 0.00 O ATOM 1002 ND2 ASN A 100 11.209 8.338 -11.522 1.00 0.00 N ATOM 1003 HD22 ASN A 100 11.488 8.907 -10.698 1.00 0.00 H ATOM 1004 HD21 ASN A 100 11.411 8.680 -12.483 1.00 0.00 H ATOM 1005 H ASN A 100 12.231 5.009 -9.989 1.00 0.00 H ATOM 1006 N GLU A 101 11.157 7.854 -6.875 1.00 0.00 N ATOM 1007 CA GLU A 101 10.851 7.882 -5.452 1.00 0.00 C ATOM 1008 C GLU A 101 9.358 7.821 -5.195 1.00 0.00 C ATOM 1009 O GLU A 101 8.559 8.448 -5.896 1.00 0.00 O ATOM 1010 CB GLU A 101 11.434 9.142 -4.811 1.00 0.00 C ATOM 1011 CG GLU A 101 12.855 9.439 -5.252 1.00 0.00 C ATOM 1012 CD GLU A 101 13.252 10.883 -5.012 1.00 0.00 C ATOM 1013 OE1 GLU A 101 13.739 11.188 -3.904 1.00 0.00 O ATOM 1014 OE2 GLU A 101 13.075 11.708 -5.934 1.00 0.00 O ATOM 1015 H GLU A 101 11.325 8.753 -7.370 1.00 0.00 H ATOM 1016 N LEU A 102 8.997 7.054 -4.180 1.00 0.00 N ATOM 1017 CA LEU A 102 7.604 6.885 -3.804 1.00 0.00 C ATOM 1018 C LEU A 102 7.435 6.984 -2.289 1.00 0.00 C ATOM 1019 O LEU A 102 8.127 6.303 -1.532 1.00 0.00 O ATOM 1020 CB LEU A 102 7.110 5.540 -4.320 1.00 0.00 C ATOM 1021 CG LEU A 102 5.590 5.356 -4.320 1.00 0.00 C ATOM 1022 CD1 LEU A 102 5.128 4.648 -5.582 1.00 0.00 C ATOM 1023 CD2 LEU A 102 5.150 4.589 -3.085 1.00 0.00 C ATOM 1024 H LEU A 102 9.731 6.558 -3.636 1.00 0.00 H ATOM 1025 N ASN A 103 6.521 7.849 -1.851 1.00 0.00 N ATOM 1026 CA ASN A 103 6.277 8.051 -0.425 1.00 0.00 C ATOM 1027 C ASN A 103 4.828 7.753 -0.054 1.00 0.00 C ATOM 1028 O ASN A 103 3.917 7.964 -0.849 1.00 0.00 O ATOM 1029 CB ASN A 103 6.614 9.491 -0.031 1.00 0.00 C ATOM 1030 CG ASN A 103 7.923 9.967 -0.631 1.00 0.00 C ATOM 1031 OD1 ASN A 103 8.087 9.991 -1.851 1.00 0.00 O ATOM 1032 ND2 ASN A 103 8.862 10.349 0.226 1.00 0.00 N ATOM 1033 HD22 ASN A 103 8.679 10.312 1.249 1.00 0.00 H ATOM 1034 HD21 ASN A 103 9.781 10.686 -0.126 1.00 0.00 H ATOM 1035 H ASN A 103 5.967 8.394 -2.542 1.00 0.00 H ATOM 1036 N THR A 104 4.624 7.277 1.169 1.00 0.00 N ATOM 1037 CA THR A 104 3.285 6.970 1.656 1.00 0.00 C ATOM 1038 C THR A 104 3.177 7.236 3.153 1.00 0.00 C ATOM 1039 O THR A 104 3.996 6.761 3.940 1.00 0.00 O ATOM 1040 CB THR A 104 2.912 5.519 1.351 1.00 0.00 C ATOM 1041 OG1 THR A 104 1.655 5.197 1.924 1.00 0.00 O ATOM 1042 CG2 THR A 104 3.925 4.519 1.863 1.00 0.00 C ATOM 1043 HG1 THR A 104 1.431 4.255 1.716 1.00 0.00 H ATOM 1044 H THR A 104 5.440 7.119 1.795 1.00 0.00 H ATOM 1045 N VAL A 105 2.162 8.001 3.540 1.00 0.00 N ATOM 1046 CA VAL A 105 1.945 8.333 4.942 1.00 0.00 C ATOM 1047 C VAL A 105 0.537 7.955 5.385 1.00 0.00 C ATOM 1048 O VAL A 105 -0.447 8.519 4.907 1.00 0.00 O ATOM 1049 CB VAL A 105 2.166 9.835 5.203 1.00 0.00 C ATOM 1050 CG1 VAL A 105 2.136 10.129 6.695 1.00 0.00 C ATOM 1051 CG2 VAL A 105 3.479 10.296 4.587 1.00 0.00 C ATOM 1052 H VAL A 105 1.506 8.372 2.824 1.00 0.00 H ATOM 1053 N ARG A 106 0.447 6.998 6.303 1.00 0.00 N ATOM 1054 CA ARG A 106 -0.842 6.547 6.811 1.00 0.00 C ATOM 1055 C ARG A 106 -1.080 7.068 8.224 1.00 0.00 C ATOM 1056 O ARG A 106 -0.349 6.726 9.154 1.00 0.00 O ATOM 1057 CB ARG A 106 -0.913 5.019 6.799 1.00 0.00 C ATOM 1058 CG ARG A 106 -0.574 4.405 5.450 1.00 0.00 C ATOM 1059 CD ARG A 106 -0.927 2.927 5.406 1.00 0.00 C ATOM 1060 NE ARG A 106 0.024 2.161 4.605 1.00 0.00 N ATOM 1061 CZ ARG A 106 0.048 0.831 4.553 1.00 0.00 C ATOM 1062 NH1 ARG A 106 -0.825 0.117 5.253 1.00 0.00 N ATOM 1063 NH2 ARG A 106 0.947 0.213 3.799 1.00 0.00 N ATOM 1064 HE ARG A 106 0.724 2.685 4.042 1.00 0.00 H ATOM 1065 HH12 ARG A 106 -0.802 -0.922 5.209 1.00 0.00 H ATOM 1066 HH11 ARG A 106 -1.532 0.596 5.846 1.00 0.00 H ATOM 1067 HH22 ARG A 106 0.966 -0.826 3.758 1.00 0.00 H ATOM 1068 HH21 ARG A 106 1.633 0.767 3.248 1.00 0.00 H ATOM 1069 H ARG A 106 1.317 6.561 6.667 1.00 0.00 H ATOM 1070 N GLU A 107 -2.105 7.899 8.378 1.00 0.00 N ATOM 1071 CA GLU A 107 -2.439 8.471 9.678 1.00 0.00 C ATOM 1072 C GLU A 107 -3.781 7.941 10.172 1.00 0.00 C ATOM 1073 O GLU A 107 -4.627 7.533 9.377 1.00 0.00 O ATOM 1074 CB GLU A 107 -2.484 10.001 9.600 1.00 0.00 C ATOM 1075 CG GLU A 107 -1.566 10.593 8.541 1.00 0.00 C ATOM 1076 CD GLU A 107 -0.861 11.848 9.017 1.00 0.00 C ATOM 1077 OE1 GLU A 107 -0.590 11.953 10.232 1.00 0.00 O ATOM 1078 OE2 GLU A 107 -0.580 12.727 8.175 1.00 0.00 O ATOM 1079 H GLU A 107 -2.684 8.148 7.551 1.00 0.00 H ATOM 1080 N ILE A 108 -3.972 7.957 11.487 1.00 0.00 N ATOM 1081 CA ILE A 108 -5.217 7.483 12.080 1.00 0.00 C ATOM 1082 C ILE A 108 -6.207 8.630 12.232 1.00 0.00 C ATOM 1083 O ILE A 108 -6.188 9.353 13.227 1.00 0.00 O ATOM 1084 CB ILE A 108 -4.988 6.829 13.460 1.00 0.00 C ATOM 1085 CG1 ILE A 108 -3.712 5.976 13.456 1.00 0.00 C ATOM 1086 CG2 ILE A 108 -6.197 5.989 13.853 1.00 0.00 C ATOM 1087 CD1 ILE A 108 -3.847 4.664 12.709 1.00 0.00 C ATOM 1088 H ILE A 108 -3.217 8.315 12.106 1.00 0.00 H ATOM 1089 N ILE A 109 -7.071 8.790 11.236 1.00 0.00 N ATOM 1090 CA ILE A 109 -8.069 9.849 11.252 1.00 0.00 C ATOM 1091 C ILE A 109 -9.293 9.422 12.044 1.00 0.00 C ATOM 1092 O ILE A 109 -10.413 9.372 11.532 1.00 0.00 O ATOM 1093 CB ILE A 109 -8.483 10.239 9.822 1.00 0.00 C ATOM 1094 CG1 ILE A 109 -9.167 11.607 9.816 1.00 0.00 C ATOM 1095 CG2 ILE A 109 -9.393 9.173 9.234 1.00 0.00 C ATOM 1096 CD1 ILE A 109 -8.365 12.687 10.510 1.00 0.00 C ATOM 1097 H ILE A 109 -7.033 8.142 10.424 1.00 0.00 H ATOM 1098 N GLY A 110 -9.071 9.106 13.296 1.00 0.00 N ATOM 1099 CA GLY A 110 -10.156 8.678 14.132 1.00 0.00 C ATOM 1100 C GLY A 110 -10.432 7.204 13.987 1.00 0.00 C ATOM 1101 O GLY A 110 -9.528 6.376 14.099 1.00 0.00 O ATOM 1102 H GLY A 110 -8.108 9.165 13.684 1.00 0.00 H ATOM 1103 N ASP A 111 -11.684 6.878 13.727 1.00 0.00 N ATOM 1104 CA ASP A 111 -12.089 5.492 13.550 1.00 0.00 C ATOM 1105 C ASP A 111 -11.662 4.963 12.180 1.00 0.00 C ATOM 1106 O ASP A 111 -11.849 3.783 11.881 1.00 0.00 O ATOM 1107 CB ASP A 111 -13.603 5.356 13.713 1.00 0.00 C ATOM 1108 CG ASP A 111 -14.370 6.296 12.803 1.00 0.00 C ATOM 1109 OD1 ASP A 111 -14.468 7.496 13.136 1.00 0.00 O ATOM 1110 OD2 ASP A 111 -14.871 5.832 11.758 1.00 0.00 O ATOM 1111 H ASP A 111 -12.398 7.630 13.647 1.00 0.00 H ATOM 1112 N GLU A 112 -11.088 5.834 11.346 1.00 0.00 N ATOM 1113 CA GLU A 112 -10.645 5.427 10.017 1.00 0.00 C ATOM 1114 C GLU A 112 -9.199 5.834 9.771 1.00 0.00 C ATOM 1115 O GLU A 112 -8.577 6.498 10.600 1.00 0.00 O ATOM 1116 CB GLU A 112 -11.543 6.041 8.944 1.00 0.00 C ATOM 1117 CG GLU A 112 -12.977 5.553 9.005 1.00 0.00 C ATOM 1118 CD GLU A 112 -13.701 5.698 7.681 1.00 0.00 C ATOM 1119 OE1 GLU A 112 -13.019 5.762 6.636 1.00 0.00 O ATOM 1120 OE2 GLU A 112 -14.949 5.745 7.688 1.00 0.00 O ATOM 1121 H GLU A 112 -10.954 6.820 11.649 1.00 0.00 H ATOM 1122 N LEU A 113 -8.672 5.429 8.622 1.00 0.00 N ATOM 1123 CA LEU A 113 -7.298 5.752 8.256 1.00 0.00 C ATOM 1124 C LEU A 113 -7.245 6.529 6.945 1.00 0.00 C ATOM 1125 O LEU A 113 -7.837 6.122 5.945 1.00 0.00 O ATOM 1126 CB LEU A 113 -6.462 4.474 8.135 1.00 0.00 C ATOM 1127 CG LEU A 113 -5.753 4.027 9.415 1.00 0.00 C ATOM 1128 CD1 LEU A 113 -4.461 4.807 9.609 1.00 0.00 C ATOM 1129 CD2 LEU A 113 -6.669 4.184 10.622 1.00 0.00 C ATOM 1130 H LEU A 113 -9.253 4.868 7.967 1.00 0.00 H ATOM 1131 N VAL A 114 -6.514 7.636 6.952 1.00 0.00 N ATOM 1132 CA VAL A 114 -6.359 8.459 5.758 1.00 0.00 C ATOM 1133 C VAL A 114 -4.969 8.254 5.167 1.00 0.00 C ATOM 1134 O VAL A 114 -3.971 8.691 5.739 1.00 0.00 O ATOM 1135 CB VAL A 114 -6.573 9.956 6.066 1.00 0.00 C ATOM 1136 CG1 VAL A 114 -5.619 10.425 7.156 1.00 0.00 C ATOM 1137 CG2 VAL A 114 -6.408 10.794 4.806 1.00 0.00 C ATOM 1138 H VAL A 114 -6.039 7.924 7.831 1.00 0.00 H ATOM 1139 N GLN A 115 -4.910 7.565 4.034 1.00 0.00 N ATOM 1140 CA GLN A 115 -3.637 7.278 3.385 1.00 0.00 C ATOM 1141 C GLN A 115 -3.335 8.258 2.256 1.00 0.00 C ATOM 1142 O GLN A 115 -4.216 8.628 1.480 1.00 0.00 O ATOM 1143 CB GLN A 115 -3.635 5.848 2.844 1.00 0.00 C ATOM 1144 CG GLN A 115 -4.124 4.816 3.849 1.00 0.00 C ATOM 1145 CD GLN A 115 -4.933 3.709 3.202 1.00 0.00 C ATOM 1146 OE1 GLN A 115 -6.144 3.832 3.023 1.00 0.00 O ATOM 1147 NE2 GLN A 115 -4.264 2.617 2.848 1.00 0.00 N ATOM 1148 HE22 GLN A 115 -3.240 2.556 3.019 1.00 0.00 H ATOM 1149 HE21 GLN A 115 -4.764 1.823 2.400 1.00 0.00 H ATOM 1150 H GLN A 115 -5.791 7.223 3.600 1.00 0.00 H ATOM 1151 N THR A 116 -2.070 8.655 2.169 1.00 0.00 N ATOM 1152 CA THR A 116 -1.609 9.574 1.137 1.00 0.00 C ATOM 1153 C THR A 116 -0.277 9.093 0.579 1.00 0.00 C ATOM 1154 O THR A 116 0.729 9.064 1.287 1.00 0.00 O ATOM 1155 CB THR A 116 -1.463 10.987 1.701 1.00 0.00 C ATOM 1156 OG1 THR A 116 -2.357 11.193 2.780 1.00 0.00 O ATOM 1157 CG2 THR A 116 -1.720 12.072 0.677 1.00 0.00 C ATOM 1158 HG1 THR A 116 -2.245 12.113 3.129 1.00 0.00 H ATOM 1159 H THR A 116 -1.384 8.296 2.863 1.00 0.00 H ATOM 1160 N TYR A 117 -0.278 8.708 -0.690 1.00 0.00 N ATOM 1161 CA TYR A 117 0.928 8.220 -1.336 1.00 0.00 C ATOM 1162 C TYR A 117 1.366 9.172 -2.440 1.00 0.00 C ATOM 1163 O TYR A 117 0.534 9.820 -3.073 1.00 0.00 O ATOM 1164 CB TYR A 117 0.692 6.828 -1.936 1.00 0.00 C ATOM 1165 CG TYR A 117 -0.027 5.851 -1.025 1.00 0.00 C ATOM 1166 CD1 TYR A 117 -1.340 6.071 -0.617 1.00 0.00 C ATOM 1167 CD2 TYR A 117 0.607 4.696 -0.586 1.00 0.00 C ATOM 1168 CE1 TYR A 117 -1.992 5.172 0.202 1.00 0.00 C ATOM 1169 CE2 TYR A 117 -0.041 3.791 0.233 1.00 0.00 C ATOM 1170 CZ TYR A 117 -1.340 4.034 0.624 1.00 0.00 C ATOM 1171 OH TYR A 117 -1.989 3.135 1.439 1.00 0.00 O ATOM 1172 HH TYR A 117 -2.906 3.460 1.622 1.00 0.00 H ATOM 1173 H TYR A 117 -1.162 8.757 -1.235 1.00 0.00 H ATOM 1174 N VAL A 118 2.670 9.236 -2.682 1.00 0.00 N ATOM 1175 CA VAL A 118 3.208 10.087 -3.725 1.00 0.00 C ATOM 1176 C VAL A 118 4.328 9.375 -4.474 1.00 0.00 C ATOM 1177 O VAL A 118 5.109 8.631 -3.883 1.00 0.00 O ATOM 1178 CB VAL A 118 3.734 11.425 -3.171 1.00 0.00 C ATOM 1179 CG1 VAL A 118 5.020 11.226 -2.382 1.00 0.00 C ATOM 1180 CG2 VAL A 118 3.943 12.408 -4.312 1.00 0.00 C ATOM 1181 H VAL A 118 3.321 8.662 -2.109 1.00 0.00 H ATOM 1182 N TYR A 119 4.392 9.606 -5.775 1.00 0.00 N ATOM 1183 CA TYR A 119 5.405 8.989 -6.617 1.00 0.00 C ATOM 1184 C TYR A 119 5.643 9.839 -7.855 1.00 0.00 C ATOM 1185 O TYR A 119 4.832 9.847 -8.781 1.00 0.00 O ATOM 1186 CB TYR A 119 4.975 7.575 -6.991 1.00 0.00 C ATOM 1187 CG TYR A 119 5.829 6.930 -8.051 1.00 0.00 C ATOM 1188 CD1 TYR A 119 7.059 6.378 -7.739 1.00 0.00 C ATOM 1189 CD2 TYR A 119 5.394 6.867 -9.358 1.00 0.00 C ATOM 1190 CE1 TYR A 119 7.836 5.777 -8.708 1.00 0.00 C ATOM 1191 CE2 TYR A 119 6.160 6.267 -10.339 1.00 0.00 C ATOM 1192 CZ TYR A 119 7.381 5.723 -10.009 1.00 0.00 C ATOM 1193 OH TYR A 119 8.149 5.126 -10.981 1.00 0.00 O ATOM 1194 HH TYR A 119 8.362 5.789 -11.685 1.00 0.00 H ATOM 1195 H TYR A 119 3.698 10.248 -6.208 1.00 0.00 H ATOM 1196 N GLU A 120 6.764 10.560 -7.847 1.00 0.00 N ATOM 1197 CA GLU A 120 7.148 11.447 -8.946 1.00 0.00 C ATOM 1198 C GLU A 120 5.940 11.946 -9.734 1.00 0.00 C ATOM 1199 O GLU A 120 5.546 11.346 -10.734 1.00 0.00 O ATOM 1200 CB GLU A 120 8.120 10.727 -9.878 1.00 0.00 C ATOM 1201 CG GLU A 120 9.072 9.798 -9.146 1.00 0.00 C ATOM 1202 CD GLU A 120 9.793 10.486 -8.002 1.00 0.00 C ATOM 1203 OE1 GLU A 120 9.187 10.631 -6.920 1.00 0.00 O ATOM 1204 OE2 GLU A 120 10.963 10.881 -8.190 1.00 0.00 O ATOM 1205 H GLU A 120 7.394 10.489 -7.023 1.00 0.00 H ATOM 1206 N GLY A 121 5.368 13.058 -9.284 1.00 0.00 N ATOM 1207 CA GLY A 121 4.225 13.636 -9.964 1.00 0.00 C ATOM 1208 C GLY A 121 2.905 12.940 -9.671 1.00 0.00 C ATOM 1209 O GLY A 121 1.841 13.513 -9.902 1.00 0.00 O ATOM 1210 H GLY A 121 5.745 13.520 -8.432 1.00 0.00 H ATOM 1211 N VAL A 122 2.960 11.702 -9.191 1.00 0.00 N ATOM 1212 CA VAL A 122 1.743 10.949 -8.909 1.00 0.00 C ATOM 1213 C VAL A 122 1.476 10.811 -7.413 1.00 0.00 C ATOM 1214 O VAL A 122 2.149 10.054 -6.718 1.00 0.00 O ATOM 1215 CB VAL A 122 1.808 9.551 -9.557 1.00 0.00 C ATOM 1216 CG1 VAL A 122 0.677 8.658 -9.090 1.00 0.00 C ATOM 1217 CG2 VAL A 122 1.794 9.682 -11.068 1.00 0.00 C ATOM 1218 H VAL A 122 3.886 11.263 -9.014 1.00 0.00 H ATOM 1219 N GLU A 123 0.462 11.523 -6.937 1.00 0.00 N ATOM 1220 CA GLU A 123 0.073 11.461 -5.537 1.00 0.00 C ATOM 1221 C GLU A 123 -1.331 10.882 -5.418 1.00 0.00 C ATOM 1222 O GLU A 123 -2.293 11.454 -5.932 1.00 0.00 O ATOM 1223 CB GLU A 123 0.131 12.848 -4.894 1.00 0.00 C ATOM 1224 CG GLU A 123 0.647 12.835 -3.461 1.00 0.00 C ATOM 1225 CD GLU A 123 1.637 13.950 -3.184 1.00 0.00 C ATOM 1226 OE1 GLU A 123 1.766 14.856 -4.035 1.00 0.00 O ATOM 1227 OE2 GLU A 123 2.283 13.918 -2.116 1.00 0.00 O ATOM 1228 H GLU A 123 -0.069 12.142 -7.583 1.00 0.00 H ATOM 1229 N ALA A 124 -1.445 9.739 -4.751 1.00 0.00 N ATOM 1230 CA ALA A 124 -2.735 9.084 -4.585 1.00 0.00 C ATOM 1231 C ALA A 124 -3.097 8.955 -3.115 1.00 0.00 C ATOM 1232 O ALA A 124 -2.269 8.581 -2.293 1.00 0.00 O ATOM 1233 CB ALA A 124 -2.729 7.712 -5.262 1.00 0.00 C ATOM 1234 H ALA A 124 -0.596 9.303 -4.339 1.00 0.00 H ATOM 1235 N LYS A 125 -4.347 9.262 -2.796 1.00 0.00 N ATOM 1236 CA LYS A 125 -4.833 9.178 -1.426 1.00 0.00 C ATOM 1237 C LYS A 125 -5.755 7.978 -1.294 1.00 0.00 C ATOM 1238 O LYS A 125 -6.187 7.415 -2.299 1.00 0.00 O ATOM 1239 CB LYS A 125 -5.576 10.461 -1.042 1.00 0.00 C ATOM 1240 CG LYS A 125 -4.806 11.341 -0.070 1.00 0.00 C ATOM 1241 CD LYS A 125 -4.639 12.755 -0.605 1.00 0.00 C ATOM 1242 CE LYS A 125 -3.749 12.782 -1.837 1.00 0.00 C ATOM 1243 NZ LYS A 125 -4.173 13.832 -2.805 1.00 0.00 N ATOM 1244 HZ1 LYS A 125 -5.149 13.645 -3.111 1.00 0.00 H ATOM 1245 HZ2 LYS A 125 -4.124 14.764 -2.347 1.00 0.00 H ATOM 1246 HZ3 LYS A 125 -3.540 13.817 -3.630 1.00 0.00 H ATOM 1247 H LYS A 125 -4.998 9.571 -3.545 1.00 0.00 H ATOM 1248 N ARG A 126 -6.043 7.566 -0.067 1.00 0.00 N ATOM 1249 CA ARG A 126 -6.899 6.409 0.131 1.00 0.00 C ATOM 1250 C ARG A 126 -7.512 6.365 1.526 1.00 0.00 C ATOM 1251 O ARG A 126 -6.811 6.176 2.520 1.00 0.00 O ATOM 1252 CB ARG A 126 -6.089 5.136 -0.124 1.00 0.00 C ATOM 1253 CG ARG A 126 -6.905 3.856 -0.031 1.00 0.00 C ATOM 1254 CD ARG A 126 -6.602 2.913 -1.188 1.00 0.00 C ATOM 1255 NE ARG A 126 -5.185 2.916 -1.547 1.00 0.00 N ATOM 1256 CZ ARG A 126 -4.254 2.212 -0.906 1.00 0.00 C ATOM 1257 NH1 ARG A 126 -4.582 1.451 0.131 1.00 0.00 N ATOM 1258 NH2 ARG A 126 -2.990 2.271 -1.301 1.00 0.00 N ATOM 1259 HE ARG A 126 -4.886 3.503 -2.351 1.00 0.00 H ATOM 1260 HH12 ARG A 126 -3.850 0.904 0.627 1.00 0.00 H ATOM 1261 HH11 ARG A 126 -5.571 1.402 0.448 1.00 0.00 H ATOM 1262 HH22 ARG A 126 -2.263 1.721 -0.801 1.00 0.00 H ATOM 1263 HH21 ARG A 126 -2.726 2.867 -2.111 1.00 0.00 H ATOM 1264 H ARG A 126 -5.656 8.072 0.755 1.00 0.00 H ATOM 1265 N ILE A 127 -8.835 6.499 1.583 1.00 0.00 N ATOM 1266 CA ILE A 127 -9.555 6.429 2.846 1.00 0.00 C ATOM 1267 C ILE A 127 -9.747 4.968 3.219 1.00 0.00 C ATOM 1268 O ILE A 127 -10.016 4.133 2.353 1.00 0.00 O ATOM 1269 CB ILE A 127 -10.933 7.119 2.781 1.00 0.00 C ATOM 1270 CG1 ILE A 127 -10.888 8.343 1.862 1.00 0.00 C ATOM 1271 CG2 ILE A 127 -11.386 7.519 4.178 1.00 0.00 C ATOM 1272 CD1 ILE A 127 -9.839 9.353 2.248 1.00 0.00 C ATOM 1273 H ILE A 127 -9.367 6.658 0.704 1.00 0.00 H ATOM 1274 N PHE A 128 -9.574 4.649 4.490 1.00 0.00 N ATOM 1275 CA PHE A 128 -9.692 3.270 4.934 1.00 0.00 C ATOM 1276 C PHE A 128 -10.829 3.058 5.933 1.00 0.00 C ATOM 1277 O PHE A 128 -11.238 3.974 6.647 1.00 0.00 O ATOM 1278 CB PHE A 128 -8.366 2.823 5.553 1.00 0.00 C ATOM 1279 CG PHE A 128 -8.486 1.585 6.387 1.00 0.00 C ATOM 1280 CD1 PHE A 128 -8.527 0.342 5.789 1.00 0.00 C ATOM 1281 CD2 PHE A 128 -8.578 1.665 7.768 1.00 0.00 C ATOM 1282 CE1 PHE A 128 -8.655 -0.790 6.544 1.00 0.00 C ATOM 1283 CE2 PHE A 128 -8.701 0.522 8.530 1.00 0.00 C ATOM 1284 CZ PHE A 128 -8.741 -0.707 7.916 1.00 0.00 C ATOM 1285 H PHE A 128 -9.351 5.394 5.181 1.00 0.00 H ATOM 1286 N LYS A 129 -11.302 1.815 5.980 1.00 0.00 N ATOM 1287 CA LYS A 129 -12.364 1.403 6.891 1.00 0.00 C ATOM 1288 C LYS A 129 -12.078 -0.005 7.388 1.00 0.00 C ATOM 1289 O LYS A 129 -11.291 -0.731 6.786 1.00 0.00 O ATOM 1290 CB LYS A 129 -13.727 1.442 6.202 1.00 0.00 C ATOM 1291 CG LYS A 129 -14.115 2.820 5.696 1.00 0.00 C ATOM 1292 CD LYS A 129 -15.540 2.838 5.169 1.00 0.00 C ATOM 1293 CE LYS A 129 -15.937 4.223 4.685 1.00 0.00 C ATOM 1294 NZ LYS A 129 -16.574 5.027 5.765 1.00 0.00 N ATOM 1295 HZ1 LYS A 129 -17.430 4.540 6.099 1.00 0.00 H ATOM 1296 HZ2 LYS A 129 -15.906 5.136 6.554 1.00 0.00 H ATOM 1297 HZ3 LYS A 129 -16.829 5.964 5.393 1.00 0.00 H ATOM 1298 H LYS A 129 -10.896 1.105 5.338 1.00 0.00 H ATOM 1299 N LYS A 130 -12.704 -0.394 8.484 1.00 0.00 N ATOM 1300 CA LYS A 130 -12.483 -1.724 9.034 1.00 0.00 C ATOM 1301 C LYS A 130 -13.697 -2.622 8.838 1.00 0.00 C ATOM 1302 O LYS A 130 -14.833 -2.152 8.776 1.00 0.00 O ATOM 1303 CB LYS A 130 -12.125 -1.644 10.513 1.00 0.00 C ATOM 1304 CG LYS A 130 -11.200 -0.489 10.860 1.00 0.00 C ATOM 1305 CD LYS A 130 -10.815 -0.505 12.330 1.00 0.00 C ATOM 1306 CE LYS A 130 -10.067 -1.776 12.696 1.00 0.00 C ATOM 1307 NZ LYS A 130 -9.546 -1.733 14.091 1.00 0.00 N ATOM 1308 HZ1 LYS A 130 -8.893 -0.930 14.191 1.00 0.00 H ATOM 1309 HZ2 LYS A 130 -10.340 -1.620 14.753 1.00 0.00 H ATOM 1310 HZ3 LYS A 130 -9.043 -2.619 14.299 1.00 0.00 H ATOM 1311 H LYS A 130 -13.362 0.257 8.959 1.00 0.00 H ATOM 1312 N ASP A 131 -13.440 -3.921 8.744 1.00 0.00 N ATOM 1313 CA ASP A 131 -14.497 -4.905 8.556 1.00 0.00 C ATOM 1314 C ASP A 131 -15.398 -4.979 9.785 1.00 0.00 C ATOM 1315 O ASP A 131 -16.627 -4.820 9.627 1.00 0.35 O ATOM 1316 CB ASP A 131 -13.886 -6.276 8.272 1.00 0.00 C ATOM 1317 CG ASP A 131 -14.819 -7.175 7.485 1.00 0.00 C ATOM 1318 OD1 ASP A 131 -14.835 -7.070 6.240 1.00 0.00 O ATOM 1319 OD2 ASP A 131 -15.532 -7.985 8.113 1.00 0.00 O ATOM 1320 OXT ASP A 131 -14.867 -5.196 10.895 1.00 0.35 O ATOM 1321 H ASP A 131 -12.454 -4.246 8.807 1.00 0.00 H TER 1322 ASP A 131 HETATM 1323 O3 KTR A 1 1.282 3.859 -3.245 1.00 -0.57 O HETATM 1324 C9 KTR A 1 1.322 2.649 -3.554 1.00 0.05 C HETATM 1325 C8 KTR A 1 0.628 1.667 -2.607 1.00 0.07 C HETATM 1326 C5 KTR A 1 0.001 0.508 -3.375 1.00 0.06 C HETATM 1327 C4 KTR A 1 -1.031 0.166 -4.139 1.00 -0.07 C HETATM 1328 C3 KTR A 1 -0.898 -1.165 -4.447 1.00 -0.07 C HETATM 1329 C2 KTR A 1 0.213 -1.602 -3.867 1.00 0.10 C HETATM 1330 N1 KTR A 1 0.779 -0.584 -3.209 1.00 -0.26 N HETATM 1331 C6 KTR A 1 1.978 -0.217 -2.414 1.00 0.06 C HETATM 1332 C7 KTR A 1 1.606 1.006 -1.667 1.00 0.00 C HETATM 1333 H KTR A 1 2.482 1.646 -1.488 1.00 0.03 H HETATM 1334 H KTR A 1 1.131 0.758 -0.707 1.00 0.03 H HETATM 1335 H KTR A 1 2.831 -0.016 -3.078 1.00 0.06 H HETATM 1336 H KTR A 1 2.239 -1.027 -1.717 1.00 0.06 H HETATM 1337 C1 KTR A 1 0.755 -3.030 -3.939 1.00 0.16 C HETATM 1338 C10 KTR A 1 1.525 -3.477 -5.182 1.00 0.03 C HETATM 1339 C11 KTR A 1 2.304 -2.570 -5.894 1.00 -0.04 C HETATM 1340 C12 KTR A 1 3.004 -2.972 -7.024 1.00 -0.06 C HETATM 1341 C13 KTR A 1 2.928 -4.292 -7.452 1.00 -0.06 C HETATM 1342 C14 KTR A 1 2.153 -5.206 -6.749 1.00 -0.06 C HETATM 1343 C15 KTR A 1 1.456 -4.797 -5.619 1.00 -0.04 C HETATM 1344 H KTR A 1 0.853 -5.513 -5.072 1.00 0.07 H HETATM 1345 H KTR A 1 2.092 -6.236 -7.082 1.00 0.06 H HETATM 1346 H KTR A 1 3.473 -4.608 -8.334 1.00 0.07 H HETATM 1347 H KTR A 1 3.608 -2.258 -7.571 1.00 0.06 H HETATM 1348 H KTR A 1 2.365 -1.540 -5.563 1.00 0.07 H HETATM 1349 O1 KTR A 1 0.571 -3.812 -3.006 1.00 -0.38 O HETATM 1350 H KTR A 1 -1.580 -1.755 -5.057 1.00 0.04 H HETATM 1351 H KTR A 1 -1.837 0.823 -4.462 1.00 0.02 H HETATM 1352 H KTR A 1 -0.141 2.208 -2.036 1.00 0.07 H HETATM 1353 O2 KTR A 1 1.875 2.166 -4.566 1.00 -0.57 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1323 1324 CONECT 1324 1323 1325 1353 CONECT 1325 1324 1326 1332 1352 CONECT 1326 1325 1327 1330 CONECT 1327 1326 1328 1351 CONECT 1328 1327 1329 1350 CONECT 1329 1328 1330 1337 CONECT 1330 1326 1329 1331 CONECT 1331 1330 1332 1335 1336 CONECT 1332 1325 1331 1333 1334 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1331 CONECT 1336 1331 CONECT 1337 1329 1338 1349 CONECT 1338 1337 1339 1343 CONECT 1339 1338 1340 1348 CONECT 1340 1339 1341 1347 CONECT 1341 1340 1342 1346 CONECT 1342 1341 1343 1345 CONECT 1343 1338 1342 1344 CONECT 1344 1343 CONECT 1345 1342 CONECT 1346 1341 CONECT 1347 1340 CONECT 1348 1339 CONECT 1349 1337 CONECT 1350 1328 CONECT 1351 1327 CONECT 1352 1325 CONECT 1353 1324 MASTER 0 0 0 0 0 0 0 0 1352 1 35 11 END
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Related entries of code: 2mji
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2mji
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid-binding protein, intestinal
Ligand Name
KTR
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=56.7uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 2526-2534
Ligand Properties
Formula
C
1
5
H
1
3
NO
3
Molecular Weight
255.269
Exact Mass
255.090
No. of atoms
32
No. of bonds
34
Polar Surface Area
59.3
LOGP Value
3.14 (
Computed with XLOGP3
)
2.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
OC(=O)[C@@H]1CCn2c1ccc2C(=O)c1ccccc1
InChI String
InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/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):
P12104
Entrez Gene ID
NCBI Entrez Gene ID:
2169
ASD
Information of known allosteric effects of PDB entries
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