Browse entries in the PDBbind-CN Database
HEADER 4IJH_COMPLEX COMPND 4IJH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLY SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE SEQRES 2 A 123 ALA ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO SEQRES 3 A 123 ILE LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY SEQRES 4 A 123 ASN SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY SEQRES 5 A 123 LEU ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU SEQRES 6 A 123 ASN PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS SEQRES 7 A 123 VAL CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS SEQRES 8 A 123 ASP GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL SEQRES 9 A 123 LEU LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN SEQRES 10 A 123 PRO VAL PRO TYR ASN GLU HET UNN A 257 34 ATOM 1 N GLY A -2 17.382 -5.236 -9.366 1.00 16.35 N ATOM 2 CA GLY A -2 17.954 -4.170 -10.229 1.00 14.93 C ATOM 3 C GLY A -2 18.959 -3.292 -9.524 1.00 13.33 C ATOM 4 O GLY A -2 19.308 -3.523 -8.353 1.00 14.77 O ATOM 5 HA3 GLY A -2 17.138 -3.541 -10.586 1.00 0.00 H ATOM 6 HA2 GLY A -2 18.446 -4.642 -11.079 1.00 0.00 H ATOM 7 HN3 GLY A -2 16.898 -4.801 -8.554 1.00 0.00 H ATOM 8 HN2 GLY A -2 18.147 -5.852 -9.025 1.00 0.00 H ATOM 9 HN1 GLY A -2 16.701 -5.798 -9.916 1.00 0.00 H ATOM 10 N SER A -1 19.426 -2.269 -10.233 1.00 12.77 N ATOM 11 CA SER A -1 20.452 -1.369 -9.720 1.00 12.37 C ATOM 12 C SER A -1 19.919 -0.519 -8.566 1.00 12.47 C ATOM 13 O SER A -1 18.704 -0.378 -8.391 1.00 14.06 O ATOM 14 CB SER A -1 20.987 -0.464 -10.834 1.00 13.53 C ATOM 15 OG SER A -1 21.765 -1.185 -11.781 1.00 12.95 O ATOM 16 HA SER A -1 21.269 -1.984 -9.343 1.00 0.00 H ATOM 17 HB2 SER A -1 21.607 0.314 -10.388 1.00 0.00 H ATOM 18 HB3 SER A -1 20.144 -0.004 -11.349 1.00 0.00 H ATOM 19 HG SER A -1 22.090 -0.564 -12.481 1.00 0.00 H ATOM 20 H SER A -1 19.046 -2.105 -11.187 1.00 0.00 H ATOM 21 N HIS A 0 20.837 0.039 -7.786 1.00 10.98 N ATOM 22 CA HIS A 0 20.484 0.811 -6.594 1.00 9.31 C ATOM 23 C HIS A 0 19.734 -0.031 -5.577 1.00 10.81 C ATOM 24 O HIS A 0 18.630 0.304 -5.168 1.00 8.43 O ATOM 25 CB HIS A 0 19.629 1.999 -7.038 1.00 9.55 C ATOM 26 CG HIS A 0 19.466 3.046 -6.000 1.00 12.52 C ATOM 27 ND1 HIS A 0 20.534 3.607 -5.343 1.00 13.24 N ATOM 28 CD2 HIS A 0 18.356 3.651 -5.515 1.00 13.05 C ATOM 29 CE1 HIS A 0 20.090 4.518 -4.488 1.00 14.46 C ATOM 30 NE2 HIS A 0 18.776 4.570 -4.584 1.00 13.51 N ATOM 31 HA HIS A 0 21.396 1.154 -6.105 1.00 0.00 H ATOM 32 HB2 HIS A 0 20.098 2.452 -7.911 1.00 0.00 H ATOM 33 HB3 HIS A 0 18.641 1.628 -7.309 1.00 0.00 H ATOM 34 HD2 HIS A 0 17.326 3.448 -5.807 1.00 0.00 H ATOM 35 HE1 HIS A 0 20.706 5.121 -3.820 1.00 0.00 H ATOM 36 H HIS A 0 21.841 -0.076 -8.030 1.00 0.00 H ATOM 37 N MET A 1 20.334 -1.134 -5.141 1.00 7.19 N ATOM 38 CA MET A 1 19.608 -2.086 -4.324 1.00 6.92 C ATOM 39 C MET A 1 19.142 -1.468 -3.020 1.00 5.70 C ATOM 40 O MET A 1 18.117 -1.894 -2.477 1.00 5.97 O ATOM 41 CB MET A 1 20.446 -3.335 -4.017 1.00 7.66 C ATOM 42 CG MET A 1 20.698 -4.124 -5.255 1.00 8.64 C ATOM 43 SD MET A 1 21.568 -5.662 -4.985 1.00 10.86 S ATOM 44 CE MET A 1 20.356 -6.708 -4.178 1.00 10.53 C ATOM 45 HA MET A 1 18.737 -2.381 -4.909 1.00 0.00 H ATOM 46 HB2 MET A 1 21.400 -3.028 -3.589 1.00 0.00 H ATOM 47 HB3 MET A 1 19.910 -3.957 -3.300 1.00 0.00 H ATOM 48 HG2 MET A 1 21.290 -3.512 -5.935 1.00 0.00 H ATOM 49 HG3 MET A 1 19.737 -4.352 -5.716 1.00 0.00 H ATOM 50 HE1 MET A 1 20.042 -6.243 -3.243 1.00 0.00 H ATOM 51 HE2 MET A 1 19.493 -6.833 -4.832 1.00 0.00 H ATOM 52 HE3 MET A 1 20.799 -7.682 -3.970 1.00 0.00 H ATOM 53 H MET A 1 21.328 -1.315 -5.387 1.00 0.00 H ATOM 54 N VAL A 2 19.853 -0.458 -2.506 1.00 5.80 N ATOM 55 CA VAL A 2 19.425 0.141 -1.249 1.00 6.75 C ATOM 56 C VAL A 2 18.096 0.874 -1.411 1.00 6.41 C ATOM 57 O VAL A 2 17.368 1.059 -0.444 1.00 5.29 O ATOM 58 CB VAL A 2 20.538 1.030 -0.627 1.00 9.50 C ATOM 59 CG1 VAL A 2 20.677 2.323 -1.394 1.00 9.52 C ATOM 60 CG2 VAL A 2 20.274 1.260 0.867 1.00 10.45 C ATOM 61 HA VAL A 2 19.250 -0.664 -0.535 1.00 0.00 H ATOM 62 HB VAL A 2 21.492 0.509 -0.705 1.00 0.00 H ATOM 63 HG11 VAL A 2 20.937 2.104 -2.429 1.00 0.00 H ATOM 64 HG12 VAL A 2 19.732 2.866 -1.363 1.00 0.00 H ATOM 65 HG13 VAL A 2 21.461 2.930 -0.942 1.00 0.00 H ATOM 66 HG21 VAL A 2 19.312 1.758 0.992 1.00 0.00 H ATOM 67 HG22 VAL A 2 20.258 0.300 1.384 1.00 0.00 H ATOM 68 HG23 VAL A 2 21.065 1.885 1.282 1.00 0.00 H ATOM 69 H VAL A 2 20.699 -0.105 -2.997 1.00 0.00 H ATOM 70 N GLY A 3 17.757 1.247 -2.646 1.00 5.77 N ATOM 71 CA GLY A 3 16.457 1.823 -2.946 1.00 5.79 C ATOM 72 C GLY A 3 15.289 0.892 -2.736 1.00 5.51 C ATOM 73 O GLY A 3 14.148 1.322 -2.751 1.00 5.52 O ATOM 74 HA3 GLY A 3 16.458 2.137 -3.990 1.00 0.00 H ATOM 75 HA2 GLY A 3 16.316 2.694 -2.306 1.00 0.00 H ATOM 76 H GLY A 3 18.443 1.122 -3.417 1.00 0.00 H ATOM 77 N GLN A 4 15.570 -0.393 -2.548 1.00 5.57 N ATOM 78 CA GLN A 4 14.530 -1.383 -2.255 1.00 6.23 C ATOM 79 C GLN A 4 13.967 -1.263 -0.861 1.00 4.82 C ATOM 80 O GLN A 4 12.883 -1.761 -0.579 1.00 4.85 O ATOM 81 CB GLN A 4 15.095 -2.804 -2.372 1.00 6.18 C ATOM 82 CG GLN A 4 15.249 -3.340 -3.774 1.00 7.29 C ATOM 83 CD GLN A 4 15.636 -4.812 -3.792 1.00 9.97 C ATOM 84 OE1 GLN A 4 15.091 -5.633 -3.040 1.00 11.63 O ATOM 85 NE2 GLN A 4 16.581 -5.154 -4.656 1.00 13.34 N ATOM 86 HA GLN A 4 13.740 -1.191 -2.981 1.00 0.00 H ATOM 87 HB2 GLN A 4 16.078 -2.812 -1.901 1.00 0.00 H ATOM 88 HB3 GLN A 4 14.428 -3.474 -1.830 1.00 0.00 H ATOM 89 HG2 GLN A 4 14.303 -3.220 -4.301 1.00 0.00 H ATOM 90 HG3 GLN A 4 16.023 -2.768 -4.285 1.00 0.00 H ATOM 91 HE22 GLN A 4 17.012 -4.432 -5.268 1.00 0.00 H ATOM 92 HE21 GLN A 4 16.892 -6.144 -4.722 1.00 0.00 H ATOM 93 H GLN A 4 16.560 -0.706 -2.611 1.00 0.00 H ATOM 94 N LEU A 5 14.719 -0.652 0.043 1.00 4.76 N ATOM 95 CA LEU A 5 14.370 -0.685 1.467 1.00 4.52 C ATOM 96 C LEU A 5 13.889 0.657 2.006 1.00 4.62 C ATOM 97 O LEU A 5 14.293 1.714 1.496 1.00 4.88 O ATOM 98 CB LEU A 5 15.580 -1.176 2.266 1.00 4.42 C ATOM 99 CG LEU A 5 16.198 -2.501 1.797 1.00 4.39 C ATOM 100 CD1 LEU A 5 17.347 -2.896 2.727 1.00 4.34 C ATOM 101 CD2 LEU A 5 15.187 -3.618 1.707 1.00 4.26 C ATOM 102 HA LEU A 5 13.530 -1.371 1.579 1.00 0.00 H ATOM 103 HB2 LEU A 5 16.352 -0.408 2.210 1.00 0.00 H ATOM 104 HB3 LEU A 5 15.268 -1.301 3.303 1.00 0.00 H ATOM 105 HG LEU A 5 16.578 -2.341 0.788 1.00 0.00 H ATOM 106 HD21 LEU A 5 14.744 -3.785 2.689 1.00 0.00 H ATOM 107 HD22 LEU A 5 14.407 -3.344 0.997 1.00 0.00 H ATOM 108 HD23 LEU A 5 15.683 -4.529 1.371 1.00 0.00 H ATOM 109 HD11 LEU A 5 18.109 -2.117 2.712 1.00 0.00 H ATOM 110 HD12 LEU A 5 16.967 -3.014 3.742 1.00 0.00 H ATOM 111 HD13 LEU A 5 17.780 -3.837 2.388 1.00 0.00 H ATOM 112 H LEU A 5 15.571 -0.140 -0.263 1.00 0.00 H ATOM 113 N SER A 6 13.037 0.609 3.020 1.00 4.48 N ATOM 114 CA SER A 6 12.478 1.823 3.595 1.00 4.63 C ATOM 115 C SER A 6 13.461 2.473 4.556 1.00 4.69 C ATOM 116 O SER A 6 13.269 2.430 5.774 1.00 4.61 O ATOM 117 CB SER A 6 11.176 1.532 4.318 1.00 4.54 C ATOM 118 OG SER A 6 10.161 1.194 3.369 1.00 4.65 O ATOM 119 HA SER A 6 12.279 2.512 2.774 1.00 0.00 H ATOM 120 HB2 SER A 6 10.868 2.414 4.879 1.00 0.00 H ATOM 121 HB3 SER A 6 11.322 0.699 5.005 1.00 0.00 H ATOM 122 HG SER A 6 9.314 1.005 3.846 1.00 0.00 H ATOM 123 H SER A 6 12.763 -0.314 3.412 1.00 0.00 H ATOM 124 N ARG A 7 14.515 3.069 4.013 1.00 4.90 N ATOM 125 CA ARG A 7 15.523 3.756 4.824 1.00 5.06 C ATOM 126 C ARG A 7 14.868 4.737 5.771 1.00 5.23 C ATOM 127 O ARG A 7 14.084 5.587 5.370 1.00 6.64 O ATOM 128 CB ARG A 7 16.518 4.498 3.918 1.00 5.40 C ATOM 129 CG ARG A 7 17.505 3.538 3.225 1.00 5.32 C ATOM 130 CD ARG A 7 18.365 4.266 2.243 1.00 5.70 C ATOM 131 NE ARG A 7 17.661 4.407 0.968 1.00 5.80 N ATOM 132 CZ ARG A 7 18.059 5.169 -0.035 1.00 6.18 C ATOM 133 NH1 ARG A 7 19.174 5.886 0.055 1.00 6.52 N ATOM 134 NH2 ARG A 7 17.352 5.190 -1.160 1.00 6.27 N ATOM 135 HA ARG A 7 16.058 3.008 5.408 1.00 0.00 H ATOM 136 HB2 ARG A 7 15.960 5.040 3.154 1.00 0.00 H ATOM 137 HB3 ARG A 7 17.084 5.206 4.524 1.00 0.00 H ATOM 138 HG2 ARG A 7 18.140 3.074 3.980 1.00 0.00 H ATOM 139 HG3 ARG A 7 16.942 2.765 2.701 1.00 0.00 H ATOM 140 HD2 ARG A 7 19.287 3.707 2.086 1.00 0.00 H ATOM 141 HD3 ARG A 7 18.603 5.255 2.635 1.00 0.00 H ATOM 142 HE ARG A 7 16.781 3.867 0.842 1.00 0.00 H ATOM 143 HH12 ARG A 7 19.475 6.482 -0.743 1.00 0.00 H ATOM 144 HH11 ARG A 7 19.746 5.852 0.923 1.00 0.00 H ATOM 145 HH22 ARG A 7 17.657 5.787 -1.955 1.00 0.00 H ATOM 146 HH21 ARG A 7 16.493 4.610 -1.245 1.00 0.00 H ATOM 147 H ARG A 7 14.629 3.048 2.979 1.00 0.00 H ATOM 148 N GLY A 8 15.178 4.589 7.058 1.00 5.16 N ATOM 149 CA GLY A 8 14.631 5.462 8.086 1.00 5.37 C ATOM 150 C GLY A 8 13.421 4.886 8.815 1.00 7.65 C ATOM 151 O GLY A 8 12.960 5.436 9.827 1.00 7.35 O ATOM 152 HA3 GLY A 8 14.333 6.399 7.616 1.00 0.00 H ATOM 153 HA2 GLY A 8 15.412 5.657 8.821 1.00 0.00 H ATOM 154 H GLY A 8 15.830 3.828 7.336 1.00 0.00 H ATOM 155 N ALA A 9 12.924 3.756 8.336 1.00 5.93 N ATOM 156 CA ALA A 9 11.747 3.177 8.954 1.00 4.71 C ATOM 157 C ALA A 9 12.050 2.637 10.335 1.00 5.53 C ATOM 158 O ALA A 9 11.198 2.709 11.212 1.00 5.61 O ATOM 159 CB ALA A 9 11.205 2.038 8.104 1.00 4.85 C ATOM 160 HA ALA A 9 11.008 3.974 9.036 1.00 0.00 H ATOM 161 HB1 ALA A 9 10.938 2.418 7.118 1.00 0.00 H ATOM 162 HB2 ALA A 9 11.968 1.267 8.003 1.00 0.00 H ATOM 163 HB3 ALA A 9 10.322 1.616 8.584 1.00 0.00 H ATOM 164 H ALA A 9 13.374 3.288 7.524 1.00 0.00 H ATOM 165 N ILE A 10 13.236 2.076 10.539 1.00 4.54 N ATOM 166 CA ILE A 10 13.543 1.570 11.869 1.00 6.02 C ATOM 167 C ILE A 10 13.546 2.724 12.874 1.00 5.92 C ATOM 168 O ILE A 10 12.946 2.605 13.952 1.00 7.02 O ATOM 169 CB ILE A 10 14.834 0.742 11.881 1.00 8.03 C ATOM 170 CG1 ILE A 10 14.559 -0.631 11.279 1.00 7.57 C ATOM 171 CG2 ILE A 10 15.389 0.615 13.337 1.00 9.38 C ATOM 172 CD1 ILE A 10 15.804 -1.393 10.964 1.00 7.99 C ATOM 173 HA ILE A 10 12.761 0.876 12.177 1.00 0.00 H ATOM 174 HB ILE A 10 15.592 1.245 11.280 1.00 0.00 H ATOM 175 HG12 ILE A 10 13.968 -1.209 11.989 1.00 0.00 H ATOM 176 HG13 ILE A 10 13.991 -0.499 10.358 1.00 0.00 H ATOM 177 HD11 ILE A 10 16.401 -0.831 10.246 1.00 0.00 H ATOM 178 HD12 ILE A 10 16.378 -1.542 11.878 1.00 0.00 H ATOM 179 HD13 ILE A 10 15.538 -2.361 10.539 1.00 0.00 H ATOM 180 HG21 ILE A 10 15.601 1.609 13.732 1.00 0.00 H ATOM 181 HG22 ILE A 10 14.647 0.124 13.966 1.00 0.00 H ATOM 182 HG23 ILE A 10 16.305 0.024 13.325 1.00 0.00 H ATOM 183 H ILE A 10 13.929 2.000 9.767 1.00 0.00 H ATOM 184 N ALA A 11 14.177 3.852 12.557 1.00 5.97 N ATOM 185 CA ALA A 11 14.155 4.973 13.489 1.00 6.76 C ATOM 186 C ALA A 11 12.731 5.461 13.703 1.00 8.02 C ATOM 187 O ALA A 11 12.375 5.850 14.804 1.00 10.65 O ATOM 188 CB ALA A 11 15.025 6.080 12.980 1.00 10.12 C ATOM 189 HA ALA A 11 14.545 4.639 14.450 1.00 0.00 H ATOM 190 HB1 ALA A 11 16.048 5.718 12.877 1.00 0.00 H ATOM 191 HB2 ALA A 11 14.657 6.413 12.009 1.00 0.00 H ATOM 192 HB3 ALA A 11 15.001 6.912 13.684 1.00 0.00 H ATOM 193 H ALA A 11 14.682 3.933 11.651 1.00 0.00 H ATOM 194 N ALA A 12 11.915 5.469 12.662 1.00 6.84 N ATOM 195 CA ALA A 12 10.536 5.948 12.769 1.00 7.52 C ATOM 196 C ALA A 12 9.751 5.041 13.713 1.00 9.61 C ATOM 197 O ALA A 12 8.983 5.519 14.549 1.00 12.45 O ATOM 198 CB ALA A 12 9.877 5.993 11.410 1.00 11.56 C ATOM 199 HA ALA A 12 10.545 6.961 13.171 1.00 0.00 H ATOM 200 HB1 ALA A 12 10.434 6.667 10.759 1.00 0.00 H ATOM 201 HB2 ALA A 12 9.870 4.992 10.978 1.00 0.00 H ATOM 202 HB3 ALA A 12 8.853 6.352 11.516 1.00 0.00 H ATOM 203 H ALA A 12 12.262 5.126 11.744 1.00 0.00 H ATOM 204 N ILE A 13 9.964 3.739 13.603 1.00 8.21 N ATOM 205 CA ILE A 13 9.238 2.795 14.448 1.00 6.47 C ATOM 206 C ILE A 13 9.639 2.995 15.901 1.00 8.56 C ATOM 207 O ILE A 13 8.790 3.018 16.801 1.00 11.23 O ATOM 208 CB ILE A 13 9.534 1.342 14.008 1.00 6.84 C ATOM 209 CG1 ILE A 13 8.849 1.030 12.659 1.00 7.08 C ATOM 210 CG2 ILE A 13 9.067 0.368 15.071 1.00 8.37 C ATOM 211 CD1 ILE A 13 9.305 -0.233 12.052 1.00 7.70 C ATOM 212 HA ILE A 13 8.168 2.976 14.344 1.00 0.00 H ATOM 213 HB ILE A 13 10.611 1.234 13.879 1.00 0.00 H ATOM 214 HG12 ILE A 13 7.773 0.967 12.823 1.00 0.00 H ATOM 215 HG13 ILE A 13 9.062 1.844 11.966 1.00 0.00 H ATOM 216 HD11 ILE A 13 10.379 -0.181 11.871 1.00 0.00 H ATOM 217 HD12 ILE A 13 9.089 -1.059 12.729 1.00 0.00 H ATOM 218 HD13 ILE A 13 8.784 -0.390 11.108 1.00 0.00 H ATOM 219 HG21 ILE A 13 9.591 0.572 16.005 1.00 0.00 H ATOM 220 HG22 ILE A 13 7.994 0.484 15.222 1.00 0.00 H ATOM 221 HG23 ILE A 13 9.282 -0.651 14.748 1.00 0.00 H ATOM 222 H ILE A 13 10.654 3.386 12.909 1.00 0.00 H ATOM 223 N MET A 14 10.938 3.121 16.127 1.00 7.59 N ATOM 224 CA MET A 14 11.465 3.143 17.488 1.00 8.73 C ATOM 225 C MET A 14 11.360 4.482 18.170 1.00 10.92 C ATOM 226 O MET A 14 11.198 4.521 19.386 1.00 14.92 O ATOM 227 CB MET A 14 12.917 2.660 17.509 1.00 9.28 C ATOM 228 CG MET A 14 13.054 1.254 16.931 1.00 9.85 C ATOM 229 SD MET A 14 12.061 -0.042 17.785 1.00 16.27 S ATOM 230 CE MET A 14 13.068 -0.199 19.225 1.00 18.36 C ATOM 231 HA MET A 14 10.833 2.461 18.057 1.00 0.00 H ATOM 232 HB2 MET A 14 13.526 3.345 16.919 1.00 0.00 H ATOM 233 HB3 MET A 14 13.273 2.655 18.539 1.00 0.00 H ATOM 234 HG2 MET A 14 14.104 0.967 16.986 1.00 0.00 H ATOM 235 HG3 MET A 14 12.742 1.286 15.887 1.00 0.00 H ATOM 236 HE1 MET A 14 14.072 -0.505 18.933 1.00 0.00 H ATOM 237 HE2 MET A 14 13.115 0.760 19.740 1.00 0.00 H ATOM 238 HE3 MET A 14 12.637 -0.949 19.888 1.00 0.00 H ATOM 239 H MET A 14 11.592 3.206 15.323 1.00 0.00 H ATOM 240 N GLN A 15 11.399 5.571 17.421 1.00 8.33 N ATOM 241 CA GLN A 15 11.419 6.922 18.007 1.00 8.53 C ATOM 242 C GLN A 15 10.046 7.564 17.970 1.00 12.54 C ATOM 243 O GLN A 15 9.611 8.167 18.948 1.00 11.53 O ATOM 244 CB GLN A 15 12.352 7.836 17.224 1.00 11.35 C ATOM 245 CG GLN A 15 13.779 7.461 17.330 1.00 14.14 C ATOM 246 CD GLN A 15 14.651 8.154 16.280 1.00 15.25 C ATOM 247 OE1 GLN A 15 14.219 9.083 15.591 1.00 17.90 O ATOM 248 NE2 GLN A 15 15.886 7.696 16.155 1.00 14.43 N ATOM 249 HA GLN A 15 11.756 6.805 19.037 1.00 0.00 H ATOM 250 HB2 GLN A 15 12.064 7.803 16.173 1.00 0.00 H ATOM 251 HB3 GLN A 15 12.234 8.852 17.600 1.00 0.00 H ATOM 252 HG2 GLN A 15 14.140 7.737 18.321 1.00 0.00 H ATOM 253 HG3 GLN A 15 13.867 6.382 17.200 1.00 0.00 H ATOM 254 HE22 GLN A 15 16.213 6.911 16.754 1.00 0.00 H ATOM 255 HE21 GLN A 15 16.530 8.121 15.457 1.00 0.00 H ATOM 256 H GLN A 15 11.416 5.470 16.386 1.00 0.00 H ATOM 257 N LYS A 16 9.382 7.475 16.821 1.00 14.53 N ATOM 258 CA LYS A 16 8.092 8.139 16.621 1.00 17.02 C ATOM 259 C LYS A 16 6.936 7.222 16.988 1.00 19.06 C ATOM 260 O LYS A 16 5.841 7.689 17.326 1.00 19.78 O ATOM 261 CB LYS A 16 7.945 8.605 15.166 1.00 18.00 C ATOM 262 CG LYS A 16 8.806 9.802 14.807 1.00 19.80 C ATOM 263 CD LYS A 16 8.965 9.948 13.302 1.00 21.60 C ATOM 264 CE LYS A 16 7.631 10.073 12.586 1.00 23.35 C ATOM 265 NZ LYS A 16 6.868 11.281 12.996 1.00 22.67 N ATOM 266 HA LYS A 16 8.063 9.008 17.279 1.00 0.00 H ATOM 267 HB2 LYS A 16 8.220 7.777 14.512 1.00 0.00 H ATOM 268 HB3 LYS A 16 6.902 8.870 14.995 1.00 0.00 H ATOM 269 HG2 LYS A 16 8.340 10.704 15.203 1.00 0.00 H ATOM 270 HG3 LYS A 16 9.791 9.677 15.256 1.00 0.00 H ATOM 271 HD2 LYS A 16 9.557 10.840 13.098 1.00 0.00 H ATOM 272 HD3 LYS A 16 9.487 9.071 12.919 1.00 0.00 H ATOM 273 HE2 LYS A 16 7.032 9.190 12.809 1.00 0.00 H ATOM 274 HE3 LYS A 16 7.815 10.125 11.513 1.00 0.00 H ATOM 275 HZ1 LYS A 16 6.678 11.239 14.018 1.00 0.00 H ATOM 276 HZ2 LYS A 16 7.426 12.132 12.780 1.00 0.00 H ATOM 277 HZ3 LYS A 16 5.968 11.314 12.476 1.00 0.00 H ATOM 278 H LYS A 16 9.790 6.918 16.043 1.00 0.00 H ATOM 279 N GLY A 17 7.178 5.918 16.926 1.00 18.97 N ATOM 280 CA GLY A 17 6.147 4.929 17.173 1.00 19.95 C ATOM 281 C GLY A 17 5.093 4.921 16.077 1.00 20.45 C ATOM 282 O GLY A 17 3.916 4.692 16.331 1.00 23.86 O ATOM 283 HA3 GLY A 17 5.664 5.153 18.124 1.00 0.00 H ATOM 284 HA2 GLY A 17 6.609 3.943 17.225 1.00 0.00 H ATOM 285 H GLY A 17 8.139 5.595 16.693 1.00 0.00 H ATOM 286 N ASP A 18 5.524 5.192 14.853 1.00 15.73 N ATOM 287 CA ASP A 18 4.645 5.141 13.687 1.00 14.37 C ATOM 288 C ASP A 18 4.252 3.696 13.395 1.00 12.16 C ATOM 289 O ASP A 18 5.135 2.866 13.252 1.00 13.01 O ATOM 290 CB ASP A 18 5.405 5.719 12.482 1.00 15.72 C ATOM 291 CG ASP A 18 4.495 6.070 11.313 1.00 17.91 C ATOM 292 OD1 ASP A 18 3.555 5.307 11.023 1.00 14.42 O ATOM 293 OD2 ASP A 18 4.738 7.110 10.663 1.00 22.10 O ATOM 294 HA ASP A 18 3.741 5.719 13.878 1.00 0.00 H ATOM 295 HB2 ASP A 18 5.925 6.623 12.801 1.00 0.00 H ATOM 296 HB3 ASP A 18 6.134 4.982 12.145 1.00 0.00 H ATOM 297 H ASP A 18 6.522 5.450 14.718 1.00 0.00 H ATOM 298 N THR A 19 2.948 3.383 13.339 1.00 14.47 N ATOM 299 CA THR A 19 2.518 2.018 12.973 1.00 14.11 C ATOM 300 C THR A 19 1.700 2.004 11.685 1.00 13.40 C ATOM 301 O THR A 19 1.266 0.951 11.222 1.00 14.08 O ATOM 302 CB THR A 19 1.669 1.313 14.052 1.00 16.04 C ATOM 303 OG1 THR A 19 0.532 2.120 14.383 1.00 16.40 O ATOM 304 CG2 THR A 19 2.500 1.031 15.306 1.00 16.36 C ATOM 305 HA THR A 19 3.457 1.477 12.852 1.00 0.00 H ATOM 306 HB THR A 19 1.327 0.359 13.651 1.00 0.00 H ATOM 307 HG1 THR A 19 -0.019 2.259 13.573 1.00 0.00 H ATOM 308 HG23 THR A 19 3.360 0.417 15.040 1.00 0.00 H ATOM 309 HG21 THR A 19 2.843 1.974 15.733 1.00 0.00 H ATOM 310 HG22 THR A 19 1.887 0.502 16.036 1.00 0.00 H ATOM 311 H THR A 19 2.234 4.108 13.555 1.00 0.00 H ATOM 312 N ASN A 20 1.494 3.169 11.104 1.00 11.60 N ATOM 313 CA ASN A 20 0.743 3.211 9.857 1.00 13.90 C ATOM 314 C ASN A 20 1.589 2.903 8.618 1.00 12.46 C ATOM 315 O ASN A 20 1.062 2.449 7.606 1.00 12.69 O ATOM 316 CB ASN A 20 0.033 4.544 9.744 1.00 17.15 C ATOM 317 CG ASN A 20 -0.974 4.736 10.848 1.00 19.90 C ATOM 318 OD1 ASN A 20 -0.849 5.648 11.664 1.00 23.34 O ATOM 319 ND2 ASN A 20 -1.973 3.857 10.900 1.00 18.71 N ATOM 320 HA ASN A 20 0.005 2.410 9.891 1.00 0.00 H ATOM 321 HB2 ASN A 20 0.772 5.343 9.797 1.00 0.00 H ATOM 322 HB3 ASN A 20 -0.482 4.590 8.784 1.00 0.00 H ATOM 323 HD22 ASN A 20 -2.039 3.102 10.188 1.00 0.00 H ATOM 324 HD21 ASN A 20 -2.688 3.926 11.653 1.00 0.00 H ATOM 325 H ASN A 20 1.862 4.044 11.529 1.00 0.00 H ATOM 326 N ILE A 21 2.889 3.118 8.712 1.00 8.57 N ATOM 327 CA ILE A 21 3.808 2.788 7.634 1.00 7.54 C ATOM 328 C ILE A 21 3.763 1.267 7.364 1.00 7.18 C ATOM 329 O ILE A 21 3.478 0.464 8.261 1.00 7.53 O ATOM 330 CB ILE A 21 5.248 3.195 7.964 1.00 6.65 C ATOM 331 CG1 ILE A 21 5.642 2.695 9.365 1.00 6.26 C ATOM 332 CG2 ILE A 21 5.413 4.734 7.924 1.00 8.04 C ATOM 333 CD1 ILE A 21 7.142 2.730 9.590 1.00 9.22 C ATOM 334 HA ILE A 21 3.493 3.344 6.751 1.00 0.00 H ATOM 335 HB ILE A 21 5.896 2.742 7.213 1.00 0.00 H ATOM 336 HG12 ILE A 21 5.161 3.327 10.111 1.00 0.00 H ATOM 337 HG13 ILE A 21 5.294 1.669 9.482 1.00 0.00 H ATOM 338 HD11 ILE A 21 7.633 2.094 8.854 1.00 0.00 H ATOM 339 HD12 ILE A 21 7.500 3.754 9.484 1.00 0.00 H ATOM 340 HD13 ILE A 21 7.366 2.367 10.593 1.00 0.00 H ATOM 341 HG21 ILE A 21 5.166 5.099 6.927 1.00 0.00 H ATOM 342 HG22 ILE A 21 4.744 5.189 8.655 1.00 0.00 H ATOM 343 HG23 ILE A 21 6.444 4.994 8.162 1.00 0.00 H ATOM 344 H ILE A 21 3.268 3.537 9.585 1.00 0.00 H ATOM 345 N LYS A 22 4.020 0.888 6.122 1.00 5.11 N ATOM 346 CA LYS A 22 4.153 -0.516 5.751 1.00 4.89 C ATOM 347 C LYS A 22 5.538 -0.718 5.151 1.00 4.66 C ATOM 348 O LYS A 22 5.699 -0.952 3.947 1.00 4.71 O ATOM 349 CB LYS A 22 3.050 -0.908 4.775 1.00 5.84 C ATOM 350 CG LYS A 22 1.648 -0.798 5.375 1.00 9.26 C ATOM 351 CD LYS A 22 0.608 -1.247 4.392 1.00 14.12 C ATOM 352 CE LYS A 22 -0.773 -1.209 5.016 1.00 18.92 C ATOM 353 NZ LYS A 22 -1.861 -1.247 3.999 1.00 19.05 N ATOM 354 HA LYS A 22 4.047 -1.158 6.625 1.00 0.00 H ATOM 355 HB2 LYS A 22 3.107 -0.253 3.906 1.00 0.00 H ATOM 356 HB3 LYS A 22 3.214 -1.939 4.463 1.00 0.00 H ATOM 357 HG2 LYS A 22 1.591 -1.423 6.266 1.00 0.00 H ATOM 358 HG3 LYS A 22 1.457 0.240 5.648 1.00 0.00 H ATOM 359 HD2 LYS A 22 0.627 -0.587 3.525 1.00 0.00 H ATOM 360 HD3 LYS A 22 0.830 -2.266 4.077 1.00 0.00 H ATOM 361 HE2 LYS A 22 -0.869 -0.292 5.597 1.00 0.00 H ATOM 362 HE3 LYS A 22 -0.882 -2.069 5.677 1.00 0.00 H ATOM 363 HZ1 LYS A 22 -1.772 -0.426 3.367 1.00 0.00 H ATOM 364 HZ2 LYS A 22 -1.784 -2.123 3.444 1.00 0.00 H ATOM 365 HZ3 LYS A 22 -2.783 -1.219 4.479 1.00 0.00 H ATOM 366 H LYS A 22 4.131 1.615 5.387 1.00 0.00 H ATOM 367 N PRO A 23 6.553 -0.619 6.002 1.00 4.47 N ATOM 368 CA PRO A 23 7.898 -0.488 5.469 1.00 4.61 C ATOM 369 C PRO A 23 8.440 -1.767 4.856 1.00 4.66 C ATOM 370 O PRO A 23 8.063 -2.877 5.247 1.00 4.82 O ATOM 371 CB PRO A 23 8.731 -0.121 6.701 1.00 4.26 C ATOM 372 CG PRO A 23 8.016 -0.798 7.820 1.00 4.71 C ATOM 373 CD PRO A 23 6.542 -0.613 7.481 1.00 6.03 C ATOM 374 HA PRO A 23 7.924 0.242 4.660 1.00 0.00 H ATOM 375 HD3 PRO A 23 5.941 -1.433 7.875 1.00 0.00 H ATOM 376 HD2 PRO A 23 6.163 0.333 7.869 1.00 0.00 H ATOM 377 HG3 PRO A 23 8.256 -0.329 8.774 1.00 0.00 H ATOM 378 HG2 PRO A 23 8.275 -1.856 7.862 1.00 0.00 H ATOM 379 HB2 PRO A 23 9.751 -0.495 6.607 1.00 0.00 H ATOM 380 HB3 PRO A 23 8.753 0.959 6.849 1.00 0.00 H ATOM 381 N ILE A 24 9.376 -1.588 3.933 1.00 4.21 N ATOM 382 CA ILE A 24 10.084 -2.724 3.322 1.00 4.12 C ATOM 383 C ILE A 24 11.462 -2.866 3.970 1.00 3.98 C ATOM 384 O ILE A 24 12.241 -1.916 4.012 1.00 4.05 O ATOM 385 CB ILE A 24 10.166 -2.572 1.794 1.00 4.33 C ATOM 386 CG1 ILE A 24 8.725 -2.501 1.225 1.00 5.31 C ATOM 387 CG2 ILE A 24 10.955 -3.752 1.207 1.00 4.30 C ATOM 388 CD1 ILE A 24 8.648 -2.161 -0.250 1.00 6.58 C ATOM 389 HA ILE A 24 9.526 -3.642 3.505 1.00 0.00 H ATOM 390 HB ILE A 24 10.689 -1.656 1.521 1.00 0.00 H ATOM 391 HG12 ILE A 24 8.251 -3.471 1.376 1.00 0.00 H ATOM 392 HG13 ILE A 24 8.177 -1.739 1.779 1.00 0.00 H ATOM 393 HD11 ILE A 24 9.106 -1.187 -0.421 1.00 0.00 H ATOM 394 HD12 ILE A 24 9.179 -2.920 -0.825 1.00 0.00 H ATOM 395 HD13 ILE A 24 7.604 -2.133 -0.561 1.00 0.00 H ATOM 396 HG21 ILE A 24 11.961 -3.760 1.628 1.00 0.00 H ATOM 397 HG22 ILE A 24 10.449 -4.685 1.454 1.00 0.00 H ATOM 398 HG23 ILE A 24 11.014 -3.645 0.124 1.00 0.00 H ATOM 399 H ILE A 24 9.615 -0.621 3.634 1.00 0.00 H ATOM 400 N LEU A 25 11.695 -4.037 4.568 1.00 3.93 N ATOM 401 CA LEU A 25 12.899 -4.341 5.328 1.00 3.79 C ATOM 402 C LEU A 25 13.541 -5.610 4.810 1.00 4.09 C ATOM 403 O LEU A 25 12.878 -6.442 4.204 1.00 6.24 O ATOM 404 CB LEU A 25 12.501 -4.567 6.792 1.00 3.61 C ATOM 405 CG LEU A 25 11.781 -3.403 7.455 1.00 5.36 C ATOM 406 CD1 LEU A 25 11.326 -3.805 8.860 1.00 6.96 C ATOM 407 CD2 LEU A 25 12.628 -2.148 7.492 1.00 6.80 C ATOM 408 HA LEU A 25 13.603 -3.515 5.232 1.00 0.00 H ATOM 409 HB2 LEU A 25 11.845 -5.437 6.833 1.00 0.00 H ATOM 410 HB3 LEU A 25 13.408 -4.771 7.361 1.00 0.00 H ATOM 411 HG LEU A 25 10.905 -3.165 6.852 1.00 0.00 H ATOM 412 HD21 LEU A 25 13.541 -2.344 8.053 1.00 0.00 H ATOM 413 HD22 LEU A 25 12.882 -1.852 6.474 1.00 0.00 H ATOM 414 HD23 LEU A 25 12.068 -1.347 7.975 1.00 0.00 H ATOM 415 HD11 LEU A 25 10.648 -4.656 8.791 1.00 0.00 H ATOM 416 HD12 LEU A 25 12.195 -4.079 9.458 1.00 0.00 H ATOM 417 HD13 LEU A 25 10.811 -2.966 9.328 1.00 0.00 H ATOM 418 H LEU A 25 10.971 -4.779 4.486 1.00 0.00 H ATOM 419 N GLN A 26 14.833 -5.773 5.048 1.00 3.75 N ATOM 420 CA GLN A 26 15.489 -7.007 4.680 1.00 3.82 C ATOM 421 C GLN A 26 15.759 -7.827 5.933 1.00 3.73 C ATOM 422 O GLN A 26 16.229 -7.295 6.940 1.00 3.66 O ATOM 423 CB GLN A 26 16.792 -6.712 3.942 1.00 4.00 C ATOM 424 CG GLN A 26 17.505 -7.967 3.467 1.00 4.85 C ATOM 425 CD GLN A 26 18.782 -7.715 2.691 1.00 4.41 C ATOM 426 OE1 GLN A 26 19.544 -6.790 2.988 1.00 4.45 O ATOM 427 NE2 GLN A 26 19.026 -8.543 1.681 1.00 4.64 N ATOM 428 HA GLN A 26 14.842 -7.577 4.013 1.00 0.00 H ATOM 429 HB2 GLN A 26 16.567 -6.091 3.075 1.00 0.00 H ATOM 430 HB3 GLN A 26 17.456 -6.168 4.614 1.00 0.00 H ATOM 431 HG2 GLN A 26 17.752 -8.569 4.341 1.00 0.00 H ATOM 432 HG3 GLN A 26 16.822 -8.524 2.825 1.00 0.00 H ATOM 433 HE22 GLN A 26 18.358 -9.310 1.464 1.00 0.00 H ATOM 434 HE21 GLN A 26 19.885 -8.424 1.107 1.00 0.00 H ATOM 435 H GLN A 26 15.377 -5.011 5.501 1.00 0.00 H ATOM 436 N VAL A 27 15.510 -9.130 5.836 1.00 4.28 N ATOM 437 CA VAL A 27 15.939 -10.050 6.892 1.00 3.77 C ATOM 438 C VAL A 27 17.431 -10.267 6.775 1.00 3.91 C ATOM 439 O VAL A 27 17.929 -10.642 5.717 1.00 5.10 O ATOM 440 CB VAL A 27 15.214 -11.373 6.769 1.00 4.58 C ATOM 441 CG1 VAL A 27 15.685 -12.366 7.868 1.00 6.01 C ATOM 442 CG2 VAL A 27 13.692 -11.178 6.829 1.00 5.16 C ATOM 443 HA VAL A 27 15.701 -9.619 7.865 1.00 0.00 H ATOM 444 HB VAL A 27 15.460 -11.799 5.796 1.00 0.00 H ATOM 445 HG11 VAL A 27 16.756 -12.541 7.763 1.00 0.00 H ATOM 446 HG12 VAL A 27 15.479 -11.942 8.851 1.00 0.00 H ATOM 447 HG13 VAL A 27 15.149 -13.309 7.758 1.00 0.00 H ATOM 448 HG21 VAL A 27 13.423 -10.720 7.781 1.00 0.00 H ATOM 449 HG22 VAL A 27 13.377 -10.530 6.011 1.00 0.00 H ATOM 450 HG23 VAL A 27 13.199 -12.146 6.738 1.00 0.00 H ATOM 451 H VAL A 27 15.007 -9.499 5.004 1.00 0.00 H ATOM 452 N ILE A 28 18.145 -10.011 7.878 1.00 4.15 N ATOM 453 CA ILE A 28 19.568 -10.302 7.952 1.00 4.55 C ATOM 454 C ILE A 28 19.794 -11.645 8.649 1.00 5.05 C ATOM 455 O ILE A 28 20.591 -12.463 8.183 1.00 8.36 O ATOM 456 CB ILE A 28 20.293 -9.228 8.716 1.00 4.42 C ATOM 457 CG1 ILE A 28 20.040 -7.838 8.102 1.00 5.90 C ATOM 458 CG2 ILE A 28 21.770 -9.539 8.760 1.00 5.90 C ATOM 459 CD1 ILE A 28 20.320 -7.768 6.613 1.00 7.77 C ATOM 460 HA ILE A 28 19.957 -10.342 6.935 1.00 0.00 H ATOM 461 HB ILE A 28 19.907 -9.208 9.735 1.00 0.00 H ATOM 462 HG12 ILE A 28 18.996 -7.573 8.269 1.00 0.00 H ATOM 463 HG13 ILE A 28 20.682 -7.116 8.607 1.00 0.00 H ATOM 464 HD11 ILE A 28 21.365 -8.019 6.429 1.00 0.00 H ATOM 465 HD12 ILE A 28 19.677 -8.476 6.090 1.00 0.00 H ATOM 466 HD13 ILE A 28 20.119 -6.759 6.254 1.00 0.00 H ATOM 467 HG21 ILE A 28 21.923 -10.499 9.253 1.00 0.00 H ATOM 468 HG22 ILE A 28 22.161 -9.585 7.743 1.00 0.00 H ATOM 469 HG23 ILE A 28 22.288 -8.757 9.315 1.00 0.00 H ATOM 470 H ILE A 28 17.670 -9.593 8.703 1.00 0.00 H ATOM 471 N ASN A 29 19.070 -11.885 9.744 1.00 4.77 N ATOM 472 CA ASN A 29 19.146 -13.195 10.386 1.00 6.35 C ATOM 473 C ASN A 29 17.884 -13.502 11.161 1.00 4.14 C ATOM 474 O ASN A 29 17.113 -12.609 11.481 1.00 4.94 O ATOM 475 CB ASN A 29 20.362 -13.309 11.297 1.00 10.14 C ATOM 476 CG ASN A 29 20.772 -14.771 11.564 1.00 14.35 C ATOM 477 OD1 ASN A 29 19.984 -15.699 11.393 1.00 13.84 O ATOM 478 ND2 ASN A 29 22.009 -14.954 11.983 1.00 15.49 N ATOM 479 HA ASN A 29 19.251 -13.931 9.589 1.00 0.00 H ATOM 480 HB2 ASN A 29 21.199 -12.792 10.828 1.00 0.00 H ATOM 481 HB3 ASN A 29 20.130 -12.832 12.249 1.00 0.00 H ATOM 482 HD22 ASN A 29 22.640 -14.138 12.113 1.00 0.00 H ATOM 483 HD21 ASN A 29 22.353 -15.915 12.183 1.00 0.00 H ATOM 484 H ASN A 29 18.456 -11.144 10.138 1.00 0.00 H ATOM 485 N ILE A 30 17.669 -14.792 11.419 1.00 4.25 N ATOM 486 CA ILE A 30 16.523 -15.267 12.189 1.00 5.04 C ATOM 487 C ILE A 30 17.017 -16.338 13.144 1.00 4.76 C ATOM 488 O ILE A 30 17.798 -17.210 12.742 1.00 6.56 O ATOM 489 CB ILE A 30 15.467 -15.934 11.278 1.00 6.28 C ATOM 490 CG1 ILE A 30 15.028 -14.941 10.208 1.00 6.50 C ATOM 491 CG2 ILE A 30 14.259 -16.380 12.094 1.00 8.36 C ATOM 492 CD1 ILE A 30 13.882 -15.411 9.370 1.00 9.46 C ATOM 493 HA ILE A 30 16.075 -14.415 12.700 1.00 0.00 H ATOM 494 HB ILE A 30 15.909 -16.813 10.808 1.00 0.00 H ATOM 495 HG12 ILE A 30 14.734 -14.014 10.701 1.00 0.00 H ATOM 496 HG13 ILE A 30 15.876 -14.748 9.551 1.00 0.00 H ATOM 497 HD11 ILE A 30 14.162 -16.332 8.858 1.00 0.00 H ATOM 498 HD12 ILE A 30 13.019 -15.597 10.009 1.00 0.00 H ATOM 499 HD13 ILE A 30 13.633 -14.646 8.635 1.00 0.00 H ATOM 500 HG21 ILE A 30 14.578 -17.098 12.850 1.00 0.00 H ATOM 501 HG22 ILE A 30 13.810 -15.514 12.580 1.00 0.00 H ATOM 502 HG23 ILE A 30 13.528 -16.847 11.434 1.00 0.00 H ATOM 503 H ILE A 30 18.348 -15.491 11.056 1.00 0.00 H ATOM 504 N ARG A 31 16.570 -16.310 14.395 1.00 5.15 N ATOM 505 CA ARG A 31 16.939 -17.384 15.313 1.00 6.06 C ATOM 506 C ARG A 31 15.807 -17.635 16.277 1.00 5.56 C ATOM 507 O ARG A 31 15.061 -16.733 16.567 1.00 8.19 O ATOM 508 CB ARG A 31 18.178 -17.020 16.096 1.00 8.42 C ATOM 509 CG ARG A 31 17.945 -15.954 17.113 1.00 10.43 C ATOM 510 CD ARG A 31 19.204 -15.762 17.964 1.00 12.02 C ATOM 511 NE ARG A 31 19.000 -14.796 19.037 1.00 13.05 N ATOM 512 CZ ARG A 31 18.583 -15.089 20.264 1.00 12.72 C ATOM 513 NH1 ARG A 31 18.280 -16.347 20.627 1.00 13.91 N ATOM 514 NH2 ARG A 31 18.443 -14.089 21.136 1.00 12.97 N ATOM 515 HA ARG A 31 17.142 -18.281 14.727 1.00 0.00 H ATOM 516 HB2 ARG A 31 18.539 -17.913 16.607 1.00 0.00 H ATOM 517 HB3 ARG A 31 18.938 -16.671 15.397 1.00 0.00 H ATOM 518 HG2 ARG A 31 17.703 -15.019 16.608 1.00 0.00 H ATOM 519 HG3 ARG A 31 17.114 -16.243 17.756 1.00 0.00 H ATOM 520 HD2 ARG A 31 20.012 -15.409 17.322 1.00 0.00 H ATOM 521 HD3 ARG A 31 19.482 -16.721 18.402 1.00 0.00 H ATOM 522 HE ARG A 31 19.197 -13.797 18.825 1.00 0.00 H ATOM 523 HH12 ARG A 31 17.956 -16.545 21.595 1.00 0.00 H ATOM 524 HH11 ARG A 31 18.369 -17.122 19.940 1.00 0.00 H ATOM 525 HH22 ARG A 31 18.118 -14.285 22.104 1.00 0.00 H ATOM 526 HH21 ARG A 31 18.658 -13.113 20.847 1.00 0.00 H ATOM 527 H ARG A 31 15.963 -15.530 14.718 1.00 0.00 H ATOM 528 N PRO A 32 15.690 -18.848 16.810 1.00 5.23 N ATOM 529 CA PRO A 32 14.698 -19.065 17.860 1.00 5.09 C ATOM 530 C PRO A 32 15.157 -18.467 19.171 1.00 5.53 C ATOM 531 O PRO A 32 16.359 -18.341 19.394 1.00 7.03 O ATOM 532 CB PRO A 32 14.631 -20.595 17.973 1.00 6.15 C ATOM 533 CG PRO A 32 15.467 -21.137 16.832 1.00 7.32 C ATOM 534 CD PRO A 32 16.427 -20.079 16.497 1.00 5.95 C ATOM 535 HA PRO A 32 13.737 -18.602 17.633 1.00 0.00 H ATOM 536 HD3 PRO A 32 17.328 -20.161 17.105 1.00 0.00 H ATOM 537 HD2 PRO A 32 16.698 -20.116 15.442 1.00 0.00 H ATOM 538 HG3 PRO A 32 14.835 -21.362 15.973 1.00 0.00 H ATOM 539 HG2 PRO A 32 15.992 -22.041 17.142 1.00 0.00 H ATOM 540 HB2 PRO A 32 15.038 -20.922 18.930 1.00 0.00 H ATOM 541 HB3 PRO A 32 13.600 -20.937 17.883 1.00 0.00 H ATOM 542 N ILE A 33 14.210 -18.151 20.052 1.00 5.06 N ATOM 543 CA ILE A 33 14.553 -17.856 21.437 1.00 5.58 C ATOM 544 C ILE A 33 14.137 -19.033 22.328 1.00 6.17 C ATOM 545 O ILE A 33 13.446 -19.952 21.901 1.00 6.43 O ATOM 546 CB ILE A 33 13.906 -16.556 21.936 1.00 5.83 C ATOM 547 CG1 ILE A 33 12.385 -16.613 21.848 1.00 7.06 C ATOM 548 CG2 ILE A 33 14.418 -15.368 21.130 1.00 6.58 C ATOM 549 CD1 ILE A 33 11.701 -15.431 22.561 1.00 6.87 C ATOM 550 HA ILE A 33 15.632 -17.713 21.489 1.00 0.00 H ATOM 551 HB ILE A 33 14.182 -16.436 22.984 1.00 0.00 H ATOM 552 HG12 ILE A 33 12.096 -16.601 20.797 1.00 0.00 H ATOM 553 HG13 ILE A 33 12.044 -17.541 22.306 1.00 0.00 H ATOM 554 HD11 ILE A 33 11.975 -15.437 23.616 1.00 0.00 H ATOM 555 HD12 ILE A 33 12.027 -14.496 22.105 1.00 0.00 H ATOM 556 HD13 ILE A 33 10.620 -15.527 22.464 1.00 0.00 H ATOM 557 HG21 ILE A 33 15.500 -15.294 21.242 1.00 0.00 H ATOM 558 HG22 ILE A 33 14.169 -15.510 20.078 1.00 0.00 H ATOM 559 HG23 ILE A 33 13.950 -14.454 21.496 1.00 0.00 H ATOM 560 H ILE A 33 13.216 -18.114 19.749 1.00 0.00 H ATOM 561 N THR A 34 14.564 -18.994 23.587 1.00 5.73 N ATOM 562 CA THR A 34 14.308 -20.076 24.527 1.00 6.15 C ATOM 563 C THR A 34 12.907 -19.956 25.105 1.00 7.49 C ATOM 564 O THR A 34 12.639 -18.999 25.849 1.00 9.64 O ATOM 565 CB THR A 34 15.310 -20.016 25.676 1.00 6.92 C ATOM 566 OG1 THR A 34 16.652 -20.003 25.147 1.00 7.07 O ATOM 567 CG2 THR A 34 15.146 -21.238 26.562 1.00 8.68 C ATOM 568 HA THR A 34 14.406 -21.021 23.992 1.00 0.00 H ATOM 569 HB THR A 34 15.131 -19.111 26.257 1.00 0.00 H ATOM 570 HG1 THR A 34 16.769 -19.210 24.566 1.00 0.00 H ATOM 571 HG23 THR A 34 14.134 -21.258 26.968 1.00 0.00 H ATOM 572 HG21 THR A 34 15.321 -22.138 25.973 1.00 0.00 H ATOM 573 HG22 THR A 34 15.866 -21.192 27.379 1.00 0.00 H ATOM 574 H THR A 34 15.099 -18.163 23.911 1.00 0.00 H ATOM 575 N THR A 35 12.016 -20.897 24.792 1.00 9.15 N ATOM 576 CA THR A 35 10.622 -20.735 25.227 1.00 10.35 C ATOM 577 C THR A 35 10.060 -21.862 26.096 1.00 14.67 C ATOM 578 O THR A 35 8.879 -21.850 26.453 1.00 16.46 O ATOM 579 CB THR A 35 9.694 -20.606 24.019 1.00 13.52 C ATOM 580 OG1 THR A 35 9.740 -21.821 23.288 1.00 16.29 O ATOM 581 CG2 THR A 35 10.110 -19.481 23.127 1.00 13.20 C ATOM 582 HA THR A 35 10.652 -19.834 25.840 1.00 0.00 H ATOM 583 HB THR A 35 8.684 -20.399 24.373 1.00 0.00 H ATOM 584 HG1 THR A 35 10.668 -21.989 22.987 1.00 0.00 H ATOM 585 HG23 THR A 35 10.076 -18.545 23.685 1.00 0.00 H ATOM 586 HG21 THR A 35 11.125 -19.657 22.772 1.00 0.00 H ATOM 587 HG22 THR A 35 9.431 -19.423 22.276 1.00 0.00 H ATOM 588 H THR A 35 12.304 -21.735 24.247 1.00 0.00 H ATOM 589 N GLY A 36 10.890 -22.840 26.424 1.00 17.14 N ATOM 590 CA GLY A 36 10.432 -23.968 27.230 1.00 19.47 C ATOM 591 C GLY A 36 9.276 -24.687 26.563 1.00 22.11 C ATOM 592 O GLY A 36 9.297 -24.931 25.353 1.00 22.76 O ATOM 593 HA3 GLY A 36 10.108 -23.601 28.204 1.00 0.00 H ATOM 594 HA2 GLY A 36 11.257 -24.668 27.363 1.00 0.00 H ATOM 595 H GLY A 36 11.879 -22.804 26.104 1.00 0.00 H ATOM 596 N ASN A 37 8.254 -25.016 27.347 1.00 23.13 N ATOM 597 CA ASN A 37 7.111 -25.774 26.844 1.00 22.29 C ATOM 598 C ASN A 37 5.962 -24.884 26.406 1.00 22.15 C ATOM 599 O ASN A 37 4.807 -25.079 26.779 1.00 23.82 O ATOM 600 CB ASN A 37 6.657 -26.772 27.901 1.00 23.65 C ATOM 601 CG ASN A 37 7.752 -27.741 28.262 1.00 23.98 C ATOM 602 OD1 ASN A 37 8.460 -28.235 27.385 1.00 23.31 O ATOM 603 ND2 ASN A 37 7.925 -27.994 29.552 1.00 24.61 N ATOM 604 HA ASN A 37 7.435 -26.309 25.952 1.00 0.00 H ATOM 605 HB2 ASN A 37 6.359 -26.227 28.796 1.00 0.00 H ATOM 606 HB3 ASN A 37 5.804 -27.331 27.516 1.00 0.00 H ATOM 607 HD22 ASN A 37 7.301 -27.552 30.257 1.00 0.00 H ATOM 608 HD21 ASN A 37 8.685 -28.634 29.859 1.00 0.00 H ATOM 609 H ASN A 37 8.269 -24.726 28.346 1.00 0.00 H ATOM 610 N SER A 38 6.307 -23.887 25.612 1.00 19.47 N ATOM 611 CA SER A 38 5.328 -23.066 24.940 1.00 18.57 C ATOM 612 C SER A 38 5.806 -23.032 23.498 1.00 17.88 C ATOM 613 O SER A 38 6.854 -23.598 23.196 1.00 18.05 O ATOM 614 CB SER A 38 5.276 -21.670 25.564 1.00 17.99 C ATOM 615 OG SER A 38 6.525 -21.019 25.492 1.00 15.09 O ATOM 616 HA SER A 38 4.312 -23.454 25.020 1.00 0.00 H ATOM 617 HB2 SER A 38 4.985 -21.761 26.610 1.00 0.00 H ATOM 618 HB3 SER A 38 4.535 -21.073 25.033 1.00 0.00 H ATOM 619 HG SER A 38 7.203 -21.553 25.978 1.00 0.00 H ATOM 620 H SER A 38 7.317 -23.687 25.466 1.00 0.00 H ATOM 621 N PRO A 39 5.039 -22.398 22.608 1.00 17.36 N ATOM 622 CA PRO A 39 5.355 -22.422 21.178 1.00 16.01 C ATOM 623 C PRO A 39 6.763 -21.886 20.894 1.00 11.10 C ATOM 624 O PRO A 39 7.187 -20.945 21.553 1.00 12.03 O ATOM 625 CB PRO A 39 4.298 -21.484 20.578 1.00 17.79 C ATOM 626 CG PRO A 39 3.154 -21.577 21.513 1.00 17.57 C ATOM 627 CD PRO A 39 3.761 -21.715 22.874 1.00 17.14 C ATOM 628 HA PRO A 39 5.340 -23.431 20.765 1.00 0.00 H ATOM 629 HD3 PRO A 39 3.927 -20.738 23.329 1.00 0.00 H ATOM 630 HD2 PRO A 39 3.126 -22.315 23.526 1.00 0.00 H ATOM 631 HG3 PRO A 39 2.540 -22.447 21.279 1.00 0.00 H ATOM 632 HG2 PRO A 39 2.542 -20.677 21.458 1.00 0.00 H ATOM 633 HB2 PRO A 39 4.673 -20.462 20.526 1.00 0.00 H ATOM 634 HB3 PRO A 39 4.010 -21.815 19.580 1.00 0.00 H ATOM 635 N PRO A 40 7.481 -22.475 19.915 1.00 10.92 N ATOM 636 CA PRO A 40 8.736 -21.842 19.487 1.00 8.19 C ATOM 637 C PRO A 40 8.459 -20.430 18.995 1.00 5.87 C ATOM 638 O PRO A 40 7.367 -20.188 18.440 1.00 6.68 O ATOM 639 CB PRO A 40 9.184 -22.714 18.312 1.00 10.77 C ATOM 640 CG PRO A 40 7.906 -23.337 17.797 1.00 15.15 C ATOM 641 CD PRO A 40 7.049 -23.535 18.989 1.00 14.80 C ATOM 642 HA PRO A 40 9.476 -21.770 20.284 1.00 0.00 H ATOM 643 HD3 PRO A 40 5.996 -23.421 18.733 1.00 0.00 H ATOM 644 HD2 PRO A 40 7.211 -24.521 19.425 1.00 0.00 H ATOM 645 HG3 PRO A 40 8.115 -24.292 17.316 1.00 0.00 H ATOM 646 HG2 PRO A 40 7.419 -22.672 17.084 1.00 0.00 H ATOM 647 HB2 PRO A 40 9.656 -22.107 17.539 1.00 0.00 H ATOM 648 HB3 PRO A 40 9.881 -23.483 18.646 1.00 0.00 H ATOM 649 N ARG A 41 9.429 -19.533 19.155 1.00 5.53 N ATOM 650 CA ARG A 41 9.275 -18.147 18.759 1.00 5.16 C ATOM 651 C ARG A 41 10.564 -17.700 18.112 1.00 4.90 C ATOM 652 O ARG A 41 11.660 -18.115 18.527 1.00 5.54 O ATOM 653 CB ARG A 41 8.940 -17.286 19.985 1.00 5.13 C ATOM 654 CG ARG A 41 7.571 -17.588 20.632 1.00 7.06 C ATOM 655 CD ARG A 41 6.384 -17.442 19.704 1.00 6.27 C ATOM 656 NE ARG A 41 6.264 -16.086 19.157 1.00 5.95 N ATOM 657 CZ ARG A 41 5.551 -15.105 19.696 1.00 6.62 C ATOM 658 NH1 ARG A 41 4.879 -15.298 20.806 1.00 7.67 N ATOM 659 NH2 ARG A 41 5.498 -13.918 19.102 1.00 5.89 N ATOM 660 HA ARG A 41 8.456 -18.037 18.048 1.00 0.00 H ATOM 661 HB2 ARG A 41 9.714 -17.448 20.736 1.00 0.00 H ATOM 662 HB3 ARG A 41 8.947 -16.240 19.678 1.00 0.00 H ATOM 663 HG2 ARG A 41 7.589 -18.613 21.001 1.00 0.00 H ATOM 664 HG3 ARG A 41 7.433 -16.904 21.469 1.00 0.00 H ATOM 665 HD2 ARG A 41 5.475 -17.678 20.258 1.00 0.00 H ATOM 666 HD3 ARG A 41 6.497 -18.144 18.878 1.00 0.00 H ATOM 667 HE ARG A 41 6.778 -15.877 18.278 1.00 0.00 H ATOM 668 HH12 ARG A 41 4.324 -14.522 21.219 1.00 0.00 H ATOM 669 HH11 ARG A 41 4.902 -16.227 21.273 1.00 0.00 H ATOM 670 HH22 ARG A 41 4.939 -13.149 19.525 1.00 0.00 H ATOM 671 HH21 ARG A 41 6.015 -13.757 18.214 1.00 0.00 H ATOM 672 H ARG A 41 10.329 -19.837 19.579 1.00 0.00 H ATOM 673 N TYR A 42 10.430 -16.875 17.072 1.00 4.66 N ATOM 674 CA TYR A 42 11.574 -16.449 16.272 1.00 4.49 C ATOM 675 C TYR A 42 11.833 -14.964 16.422 1.00 5.01 C ATOM 676 O TYR A 42 10.932 -14.152 16.317 1.00 4.74 O ATOM 677 CB TYR A 42 11.378 -16.807 14.776 1.00 5.11 C ATOM 678 CG TYR A 42 11.227 -18.264 14.552 1.00 5.53 C ATOM 679 CD1 TYR A 42 12.339 -19.074 14.412 1.00 5.82 C ATOM 680 CD2 TYR A 42 9.969 -18.837 14.453 1.00 6.88 C ATOM 681 CE1 TYR A 42 12.193 -20.448 14.207 1.00 6.04 C ATOM 682 CE2 TYR A 42 9.815 -20.202 14.263 1.00 8.50 C ATOM 683 CZ TYR A 42 10.938 -20.994 14.141 1.00 9.09 C ATOM 684 OH TYR A 42 10.797 -22.348 13.938 1.00 11.54 O ATOM 685 HA TYR A 42 12.445 -16.988 16.646 1.00 0.00 H ATOM 686 HB3 TYR A 42 12.245 -16.456 14.217 1.00 0.00 H ATOM 687 HB2 TYR A 42 10.483 -16.303 14.411 1.00 0.00 H ATOM 688 HD2 TYR A 42 9.085 -18.204 14.526 1.00 0.00 H ATOM 689 HE2 TYR A 42 8.820 -20.643 14.211 1.00 0.00 H ATOM 690 HE1 TYR A 42 13.073 -21.083 14.100 1.00 0.00 H ATOM 691 HD1 TYR A 42 13.336 -18.637 14.462 1.00 0.00 H ATOM 692 HH TYR A 42 11.692 -22.766 13.873 1.00 0.00 H ATOM 693 H TYR A 42 9.482 -16.525 16.824 1.00 0.00 H ATOM 694 N ARG A 43 13.097 -14.626 16.643 1.00 4.11 N ATOM 695 CA ARG A 43 13.594 -13.269 16.693 1.00 3.93 C ATOM 696 C ARG A 43 14.392 -12.959 15.431 1.00 3.83 C ATOM 697 O ARG A 43 15.108 -13.807 14.902 1.00 5.55 O ATOM 698 CB ARG A 43 14.469 -13.153 17.936 1.00 4.78 C ATOM 699 CG ARG A 43 15.114 -11.806 18.161 1.00 5.41 C ATOM 700 CD ARG A 43 15.828 -11.751 19.496 1.00 5.82 C ATOM 701 NE ARG A 43 16.467 -10.463 19.689 1.00 7.64 N ATOM 702 CZ ARG A 43 17.074 -10.107 20.799 1.00 9.25 C ATOM 703 NH1 ARG A 43 17.084 -10.951 21.821 1.00 9.83 N ATOM 704 NH2 ARG A 43 17.620 -8.900 20.882 1.00 9.27 N ATOM 705 HA ARG A 43 12.774 -12.552 16.744 1.00 0.00 H ATOM 706 HB2 ARG A 43 13.849 -13.377 18.804 1.00 0.00 H ATOM 707 HB3 ARG A 43 15.263 -13.896 17.857 1.00 0.00 H ATOM 708 HG2 ARG A 43 15.835 -11.620 17.365 1.00 0.00 H ATOM 709 HG3 ARG A 43 14.343 -11.035 18.139 1.00 0.00 H ATOM 710 HD2 ARG A 43 16.586 -12.534 19.528 1.00 0.00 H ATOM 711 HD3 ARG A 43 15.105 -11.914 20.295 1.00 0.00 H ATOM 712 HE ARG A 43 16.443 -9.782 18.903 1.00 0.00 H ATOM 713 HH12 ARG A 43 17.559 -10.688 22.708 1.00 0.00 H ATOM 714 HH11 ARG A 43 16.617 -11.876 21.736 1.00 0.00 H ATOM 715 HH22 ARG A 43 18.103 -8.607 21.755 1.00 0.00 H ATOM 716 HH21 ARG A 43 17.565 -8.248 20.074 1.00 0.00 H ATOM 717 H ARG A 43 13.782 -15.395 16.791 1.00 0.00 H ATOM 718 N LEU A 44 14.277 -11.736 14.942 1.00 4.58 N ATOM 719 CA LEU A 44 14.887 -11.392 13.663 1.00 4.78 C ATOM 720 C LEU A 44 15.751 -10.165 13.803 1.00 4.60 C ATOM 721 O LEU A 44 15.404 -9.200 14.525 1.00 6.11 O ATOM 722 CB LEU A 44 13.836 -11.094 12.586 1.00 5.49 C ATOM 723 CG LEU A 44 12.830 -12.183 12.274 1.00 8.12 C ATOM 724 CD1 LEU A 44 11.640 -11.950 13.212 1.00 7.67 C ATOM 725 CD2 LEU A 44 12.348 -12.149 10.827 1.00 8.14 C ATOM 726 HA LEU A 44 15.480 -12.256 13.363 1.00 0.00 H ATOM 727 HB2 LEU A 44 13.278 -10.215 12.908 1.00 0.00 H ATOM 728 HB3 LEU A 44 14.369 -10.866 11.663 1.00 0.00 H ATOM 729 HG LEU A 44 13.297 -13.157 12.417 1.00 0.00 H ATOM 730 HD21 LEU A 44 11.872 -11.189 10.626 1.00 0.00 H ATOM 731 HD22 LEU A 44 13.199 -12.281 10.159 1.00 0.00 H ATOM 732 HD23 LEU A 44 11.630 -12.953 10.666 1.00 0.00 H ATOM 733 HD11 LEU A 44 11.977 -12.012 14.247 1.00 0.00 H ATOM 734 HD12 LEU A 44 11.219 -10.962 13.024 1.00 0.00 H ATOM 735 HD13 LEU A 44 10.881 -12.710 13.029 1.00 0.00 H ATOM 736 H LEU A 44 13.748 -11.015 15.473 1.00 0.00 H ATOM 737 N LEU A 45 16.880 -10.212 13.104 1.00 3.64 N ATOM 738 CA LEU A 45 17.693 -9.047 12.842 1.00 4.57 C ATOM 739 C LEU A 45 17.282 -8.553 11.462 1.00 4.39 C ATOM 740 O LEU A 45 17.466 -9.276 10.473 1.00 3.82 O ATOM 741 CB LEU A 45 19.165 -9.482 12.837 1.00 4.52 C ATOM 742 CG LEU A 45 20.202 -8.395 12.530 1.00 6.16 C ATOM 743 CD1 LEU A 45 20.171 -7.301 13.605 1.00 8.92 C ATOM 744 CD2 LEU A 45 21.606 -8.999 12.386 1.00 6.93 C ATOM 745 HA LEU A 45 17.564 -8.263 13.588 1.00 0.00 H ATOM 746 HB2 LEU A 45 19.393 -9.888 13.822 1.00 0.00 H ATOM 747 HB3 LEU A 45 19.276 -10.266 12.088 1.00 0.00 H ATOM 748 HG LEU A 45 19.944 -7.935 11.576 1.00 0.00 H ATOM 749 HD21 LEU A 45 21.884 -9.495 13.316 1.00 0.00 H ATOM 750 HD22 LEU A 45 21.607 -9.724 11.572 1.00 0.00 H ATOM 751 HD23 LEU A 45 22.321 -8.205 12.169 1.00 0.00 H ATOM 752 HD11 LEU A 45 19.180 -6.848 13.632 1.00 0.00 H ATOM 753 HD12 LEU A 45 20.397 -7.741 14.576 1.00 0.00 H ATOM 754 HD13 LEU A 45 20.914 -6.540 13.368 1.00 0.00 H ATOM 755 H LEU A 45 17.193 -11.130 12.728 1.00 0.00 H ATOM 756 N MET A 46 16.704 -7.349 11.415 1.00 3.95 N ATOM 757 CA MET A 46 16.227 -6.776 10.163 1.00 4.31 C ATOM 758 C MET A 46 16.969 -5.491 9.848 1.00 3.62 C ATOM 759 O MET A 46 17.496 -4.846 10.740 1.00 4.11 O ATOM 760 CB MET A 46 14.730 -6.474 10.227 1.00 7.10 C ATOM 761 CG MET A 46 13.943 -7.647 10.736 1.00 3.41 C ATOM 762 SD MET A 46 12.300 -7.864 10.106 1.00 13.05 S ATOM 763 CE MET A 46 12.556 -7.887 8.334 1.00 3.48 C ATOM 764 HA MET A 46 16.411 -7.512 9.380 1.00 0.00 H ATOM 765 HB2 MET A 46 14.569 -5.626 10.893 1.00 0.00 H ATOM 766 HB3 MET A 46 14.378 -6.221 9.227 1.00 0.00 H ATOM 767 HG2 MET A 46 13.867 -7.545 11.819 1.00 0.00 H ATOM 768 HG3 MET A 46 14.507 -8.548 10.496 1.00 0.00 H ATOM 769 HE1 MET A 46 13.006 -6.945 8.021 1.00 0.00 H ATOM 770 HE2 MET A 46 13.219 -8.712 8.075 1.00 0.00 H ATOM 771 HE3 MET A 46 11.598 -8.018 7.831 1.00 0.00 H ATOM 772 H MET A 46 16.592 -6.807 12.295 1.00 0.00 H ATOM 773 N SER A 47 16.964 -5.138 8.564 1.00 4.06 N ATOM 774 CA SER A 47 17.618 -3.936 8.073 1.00 3.83 C ATOM 775 C SER A 47 16.682 -3.066 7.261 1.00 4.01 C ATOM 776 O SER A 47 15.891 -3.573 6.468 1.00 4.07 O ATOM 777 CB SER A 47 18.778 -4.341 7.178 1.00 4.32 C ATOM 778 OG SER A 47 19.280 -3.234 6.407 1.00 4.46 O ATOM 779 HA SER A 47 17.953 -3.366 8.939 1.00 0.00 H ATOM 780 HB2 SER A 47 18.440 -5.120 6.495 1.00 0.00 H ATOM 781 HB3 SER A 47 19.584 -4.730 7.801 1.00 0.00 H ATOM 782 HG SER A 47 20.032 -3.542 5.841 1.00 0.00 H ATOM 783 H SER A 47 16.470 -5.749 7.882 1.00 0.00 H ATOM 784 N ASP A 48 16.790 -1.749 7.425 1.00 4.00 N ATOM 785 CA ASP A 48 16.070 -0.815 6.547 1.00 4.22 C ATOM 786 C ASP A 48 17.035 -0.149 5.556 1.00 4.35 C ATOM 787 O ASP A 48 16.663 0.829 4.892 1.00 6.42 O ATOM 788 CB ASP A 48 15.285 0.235 7.331 1.00 4.86 C ATOM 789 CG ASP A 48 16.160 1.237 8.041 1.00 5.22 C ATOM 790 OD1 ASP A 48 17.408 1.183 7.946 1.00 6.99 O ATOM 791 OD2 ASP A 48 15.559 2.106 8.713 1.00 4.54 O ATOM 792 HA ASP A 48 15.341 -1.401 5.987 1.00 0.00 H ATOM 793 HB2 ASP A 48 14.639 0.772 6.637 1.00 0.00 H ATOM 794 HB3 ASP A 48 14.673 -0.276 8.074 1.00 0.00 H ATOM 795 H ASP A 48 17.393 -1.375 8.186 1.00 0.00 H ATOM 796 N GLY A 49 18.252 -0.686 5.447 1.00 5.12 N ATOM 797 CA GLY A 49 19.255 -0.102 4.567 1.00 6.76 C ATOM 798 C GLY A 49 20.220 0.847 5.263 1.00 9.27 C ATOM 799 O GLY A 49 21.375 0.977 4.840 1.00 11.37 O ATOM 800 HA3 GLY A 49 18.740 0.450 3.780 1.00 0.00 H ATOM 801 HA2 GLY A 49 19.833 -0.912 4.122 1.00 0.00 H ATOM 802 H GLY A 49 18.488 -1.535 5.999 1.00 0.00 H ATOM 803 N LEU A 50 19.741 1.538 6.291 1.00 7.00 N ATOM 804 CA LEU A 50 20.573 2.453 7.087 1.00 7.81 C ATOM 805 C LEU A 50 20.942 1.801 8.410 1.00 5.16 C ATOM 806 O LEU A 50 22.095 1.902 8.871 1.00 6.78 O ATOM 807 CB LEU A 50 19.844 3.763 7.385 1.00 9.37 C ATOM 808 CG LEU A 50 19.500 4.696 6.224 1.00 13.05 C ATOM 809 CD1 LEU A 50 18.735 5.908 6.753 1.00 13.63 C ATOM 810 CD2 LEU A 50 20.762 5.117 5.550 1.00 13.57 C ATOM 811 HA LEU A 50 21.467 2.670 6.502 1.00 0.00 H ATOM 812 HB2 LEU A 50 18.906 3.503 7.876 1.00 0.00 H ATOM 813 HB3 LEU A 50 20.470 4.328 8.076 1.00 0.00 H ATOM 814 HG LEU A 50 18.868 4.181 5.500 1.00 0.00 H ATOM 815 HD21 LEU A 50 21.398 5.638 6.265 1.00 0.00 H ATOM 816 HD22 LEU A 50 21.282 4.236 5.173 1.00 0.00 H ATOM 817 HD23 LEU A 50 20.525 5.783 4.720 1.00 0.00 H ATOM 818 HD11 LEU A 50 17.816 5.574 7.236 1.00 0.00 H ATOM 819 HD12 LEU A 50 19.354 6.440 7.476 1.00 0.00 H ATOM 820 HD13 LEU A 50 18.491 6.572 5.924 1.00 0.00 H ATOM 821 H LEU A 50 18.738 1.428 6.543 1.00 0.00 H ATOM 822 N ASN A 51 19.944 1.181 9.032 1.00 4.85 N ATOM 823 CA ASN A 51 20.089 0.569 10.341 1.00 4.76 C ATOM 824 C ASN A 51 19.741 -0.909 10.300 1.00 4.43 C ATOM 825 O ASN A 51 18.887 -1.333 9.503 1.00 4.24 O ATOM 826 CB ASN A 51 19.142 1.215 11.369 1.00 4.77 C ATOM 827 CG ASN A 51 19.635 2.564 11.891 1.00 5.22 C ATOM 828 OD1 ASN A 51 18.905 3.552 11.839 1.00 6.13 O ATOM 829 ND2 ASN A 51 20.847 2.590 12.426 1.00 8.11 N ATOM 830 HA ASN A 51 21.130 0.715 10.629 1.00 0.00 H ATOM 831 HB2 ASN A 51 18.170 1.362 10.898 1.00 0.00 H ATOM 832 HB3 ASN A 51 19.036 0.536 12.215 1.00 0.00 H ATOM 833 HD22 ASN A 51 21.426 1.726 12.445 1.00 0.00 H ATOM 834 HD21 ASN A 51 21.220 3.474 12.827 1.00 0.00 H ATOM 835 H ASN A 51 19.018 1.132 8.560 1.00 0.00 H ATOM 836 N THR A 52 20.370 -1.671 11.192 1.00 4.96 N ATOM 837 CA THR A 52 19.825 -2.969 11.587 1.00 5.70 C ATOM 838 C THR A 52 19.212 -2.861 12.986 1.00 6.80 C ATOM 839 O THR A 52 19.564 -1.975 13.767 1.00 8.25 O ATOM 840 CB THR A 52 20.866 -4.077 11.575 1.00 7.31 C ATOM 841 OG1 THR A 52 21.935 -3.760 12.483 1.00 9.66 O ATOM 842 CG2 THR A 52 21.441 -4.273 10.199 1.00 6.86 C ATOM 843 HA THR A 52 19.065 -3.234 10.852 1.00 0.00 H ATOM 844 HB THR A 52 20.370 -4.997 11.885 1.00 0.00 H ATOM 845 HG1 THR A 52 22.606 -4.487 12.467 1.00 0.00 H ATOM 846 HG23 THR A 52 20.638 -4.514 9.502 1.00 0.00 H ATOM 847 HG21 THR A 52 21.938 -3.357 9.880 1.00 0.00 H ATOM 848 HG22 THR A 52 22.162 -5.090 10.221 1.00 0.00 H ATOM 849 H THR A 52 21.261 -1.339 11.613 1.00 0.00 H ATOM 850 N LEU A 53 18.288 -3.762 13.302 1.00 5.78 N ATOM 851 CA LEU A 53 17.721 -3.826 14.655 1.00 6.52 C ATOM 852 C LEU A 53 17.413 -5.284 14.912 1.00 5.57 C ATOM 853 O LEU A 53 16.863 -5.951 14.060 1.00 3.90 O ATOM 854 CB LEU A 53 16.450 -2.991 14.764 1.00 7.24 C ATOM 855 CG LEU A 53 15.757 -2.943 16.141 1.00 10.83 C ATOM 856 CD1 LEU A 53 16.615 -2.232 17.159 1.00 17.99 C ATOM 857 CD2 LEU A 53 14.389 -2.286 16.037 1.00 12.50 C ATOM 858 HA LEU A 53 18.422 -3.425 15.387 1.00 0.00 H ATOM 859 HB2 LEU A 53 16.704 -1.968 14.488 1.00 0.00 H ATOM 860 HB3 LEU A 53 15.732 -3.391 14.048 1.00 0.00 H ATOM 861 HG LEU A 53 15.617 -3.970 16.479 1.00 0.00 H ATOM 862 HD21 LEU A 53 14.504 -1.268 15.666 1.00 0.00 H ATOM 863 HD22 LEU A 53 13.765 -2.856 15.349 1.00 0.00 H ATOM 864 HD23 LEU A 53 13.922 -2.265 17.022 1.00 0.00 H ATOM 865 HD11 LEU A 53 17.563 -2.759 17.264 1.00 0.00 H ATOM 866 HD12 LEU A 53 16.800 -1.211 16.826 1.00 0.00 H ATOM 867 HD13 LEU A 53 16.099 -2.215 18.119 1.00 0.00 H ATOM 868 H LEU A 53 17.961 -4.434 12.579 1.00 0.00 H ATOM 869 N SER A 54 17.773 -5.760 16.091 1.00 7.48 N ATOM 870 CA SER A 54 17.661 -7.164 16.410 1.00 7.17 C ATOM 871 C SER A 54 16.434 -7.457 17.261 1.00 8.75 C ATOM 872 O SER A 54 16.252 -8.582 17.677 1.00 9.77 O ATOM 873 CB SER A 54 18.899 -7.627 17.171 1.00 12.07 C ATOM 874 OG SER A 54 18.835 -7.142 18.488 1.00 13.63 O ATOM 875 HA SER A 54 17.567 -7.701 15.466 1.00 0.00 H ATOM 876 HB2 SER A 54 19.794 -7.242 16.682 1.00 0.00 H ATOM 877 HB3 SER A 54 18.934 -8.716 17.184 1.00 0.00 H ATOM 878 HG SER A 54 18.021 -7.493 18.929 1.00 0.00 H ATOM 879 H SER A 54 18.147 -5.106 16.808 1.00 0.00 H ATOM 880 N SER A 55 15.604 -6.462 17.513 1.00 5.95 N ATOM 881 CA SER A 55 14.470 -6.647 18.408 1.00 9.34 C ATOM 882 C SER A 55 13.135 -6.826 17.692 1.00 8.80 C ATOM 883 O SER A 55 12.124 -6.318 18.116 1.00 11.62 O ATOM 884 CB SER A 55 14.389 -5.506 19.411 1.00 11.56 C ATOM 885 OG SER A 55 14.080 -4.282 18.787 1.00 11.28 O ATOM 886 HA SER A 55 14.655 -7.585 18.932 1.00 0.00 H ATOM 887 HB2 SER A 55 15.350 -5.412 19.917 1.00 0.00 H ATOM 888 HB3 SER A 55 13.615 -5.734 20.144 1.00 0.00 H ATOM 889 HG SER A 55 13.205 -4.358 18.330 1.00 0.00 H ATOM 890 H SER A 55 15.762 -5.536 17.067 1.00 0.00 H ATOM 891 N PHE A 56 13.150 -7.575 16.607 1.00 4.99 N ATOM 892 CA PHE A 56 11.938 -7.986 15.947 1.00 3.95 C ATOM 893 C PHE A 56 11.647 -9.418 16.342 1.00 4.36 C ATOM 894 O PHE A 56 12.534 -10.254 16.502 1.00 3.90 O ATOM 895 CB PHE A 56 12.106 -7.953 14.423 1.00 5.60 C ATOM 896 CG PHE A 56 12.202 -6.568 13.842 1.00 6.40 C ATOM 897 CD1 PHE A 56 13.416 -5.913 13.737 1.00 10.36 C ATOM 898 CD2 PHE A 56 11.076 -5.945 13.372 1.00 4.74 C ATOM 899 CE1 PHE A 56 13.485 -4.646 13.160 1.00 11.36 C ATOM 900 CE2 PHE A 56 11.132 -4.687 12.796 1.00 6.50 C ATOM 901 CZ PHE A 56 12.348 -4.045 12.688 1.00 8.32 C ATOM 902 HA PHE A 56 11.134 -7.309 16.238 1.00 0.00 H ATOM 903 HB2 PHE A 56 13.017 -8.495 14.168 1.00 0.00 H ATOM 904 HB3 PHE A 56 11.248 -8.454 13.973 1.00 0.00 H ATOM 905 HD2 PHE A 56 10.114 -6.451 13.453 1.00 0.00 H ATOM 906 HE2 PHE A 56 10.223 -4.208 12.431 1.00 0.00 H ATOM 907 HZ PHE A 56 12.404 -3.059 12.227 1.00 0.00 H ATOM 908 HE1 PHE A 56 14.444 -4.133 13.084 1.00 0.00 H ATOM 909 HD1 PHE A 56 14.323 -6.390 14.107 1.00 0.00 H ATOM 910 H PHE A 56 14.065 -7.878 16.216 1.00 0.00 H ATOM 911 N MET A 57 10.373 -9.711 16.433 1.00 4.41 N ATOM 912 CA MET A 57 9.884 -11.065 16.647 1.00 5.22 C ATOM 913 C MET A 57 8.766 -11.337 15.648 1.00 6.16 C ATOM 914 O MET A 57 8.002 -10.438 15.309 1.00 7.11 O ATOM 915 CB MET A 57 9.324 -11.223 18.063 1.00 6.23 C ATOM 916 CG MET A 57 10.336 -11.019 19.186 1.00 6.66 C ATOM 917 SD MET A 57 11.410 -12.441 19.487 1.00 5.59 S ATOM 918 CE MET A 57 10.216 -13.732 19.848 1.00 8.95 C ATOM 919 HA MET A 57 10.709 -11.765 16.515 1.00 0.00 H ATOM 920 HB2 MET A 57 8.524 -10.495 18.193 1.00 0.00 H ATOM 921 HB3 MET A 57 8.916 -12.230 18.155 1.00 0.00 H ATOM 922 HG2 MET A 57 9.789 -10.804 20.104 1.00 0.00 H ATOM 923 HG3 MET A 57 10.963 -10.165 18.930 1.00 0.00 H ATOM 924 HE1 MET A 57 9.627 -13.447 20.720 1.00 0.00 H ATOM 925 HE2 MET A 57 9.557 -13.866 18.990 1.00 0.00 H ATOM 926 HE3 MET A 57 10.742 -14.665 20.053 1.00 0.00 H ATOM 927 H MET A 57 9.679 -8.941 16.348 1.00 0.00 H ATOM 928 N LEU A 58 8.651 -12.572 15.206 1.00 4.45 N ATOM 929 CA LEU A 58 7.486 -12.964 14.409 1.00 6.00 C ATOM 930 C LEU A 58 6.346 -13.247 15.352 1.00 6.65 C ATOM 931 O LEU A 58 6.511 -13.928 16.366 1.00 6.03 O ATOM 932 CB LEU A 58 7.731 -14.249 13.620 1.00 7.34 C ATOM 933 CG LEU A 58 8.649 -14.177 12.414 1.00 10.09 C ATOM 934 CD1 LEU A 58 8.693 -15.524 11.722 1.00 9.89 C ATOM 935 CD2 LEU A 58 8.188 -13.133 11.432 1.00 9.84 C ATOM 936 HA LEU A 58 7.274 -12.153 13.713 1.00 0.00 H ATOM 937 HB2 LEU A 58 8.157 -14.978 14.310 1.00 0.00 H ATOM 938 HB3 LEU A 58 6.762 -14.605 13.270 1.00 0.00 H ATOM 939 HG LEU A 58 9.643 -13.903 12.768 1.00 0.00 H ATOM 940 HD21 LEU A 58 7.183 -13.378 11.088 1.00 0.00 H ATOM 941 HD22 LEU A 58 8.179 -12.158 11.918 1.00 0.00 H ATOM 942 HD23 LEU A 58 8.869 -13.110 10.582 1.00 0.00 H ATOM 943 HD11 LEU A 58 9.068 -16.276 12.417 1.00 0.00 H ATOM 944 HD12 LEU A 58 7.689 -15.797 11.396 1.00 0.00 H ATOM 945 HD13 LEU A 58 9.354 -15.465 10.857 1.00 0.00 H ATOM 946 H LEU A 58 9.389 -13.271 15.423 1.00 0.00 H ATOM 947 N ALA A 59 5.165 -12.757 15.018 1.00 4.56 N ATOM 948 CA ALA A 59 3.995 -13.269 15.690 1.00 4.89 C ATOM 949 C ALA A 59 3.964 -14.781 15.486 1.00 5.33 C ATOM 950 O ALA A 59 4.386 -15.283 14.446 1.00 5.08 O ATOM 951 CB ALA A 59 2.744 -12.628 15.135 1.00 5.07 C ATOM 952 HA ALA A 59 4.036 -13.036 16.754 1.00 0.00 H ATOM 953 HB1 ALA A 59 2.794 -11.549 15.282 1.00 0.00 H ATOM 954 HB2 ALA A 59 2.666 -12.848 14.070 1.00 0.00 H ATOM 955 HB3 ALA A 59 1.872 -13.026 15.654 1.00 0.00 H ATOM 956 H ALA A 59 5.081 -12.020 14.289 1.00 0.00 H ATOM 957 N THR A 60 3.458 -15.524 16.462 1.00 6.79 N ATOM 958 CA THR A 60 3.374 -16.971 16.347 1.00 6.60 C ATOM 959 C THR A 60 2.683 -17.422 15.062 1.00 6.42 C ATOM 960 O THR A 60 3.057 -18.438 14.452 1.00 6.57 O ATOM 961 CB THR A 60 2.639 -17.538 17.572 1.00 8.55 C ATOM 962 OG1 THR A 60 3.292 -17.057 18.757 1.00 9.21 O ATOM 963 CG2 THR A 60 2.669 -19.031 17.554 1.00 13.40 C ATOM 964 HA THR A 60 4.393 -17.357 16.307 1.00 0.00 H ATOM 965 HB THR A 60 1.598 -17.215 17.554 1.00 0.00 H ATOM 966 HG1 THR A 60 2.829 -17.414 19.556 1.00 0.00 H ATOM 967 HG23 THR A 60 2.173 -19.392 16.653 1.00 0.00 H ATOM 968 HG21 THR A 60 3.704 -19.372 17.562 1.00 0.00 H ATOM 969 HG22 THR A 60 2.152 -19.414 18.434 1.00 0.00 H ATOM 970 H THR A 60 3.114 -15.061 17.328 1.00 0.00 H ATOM 971 N GLN A 61 1.682 -16.649 14.639 1.00 8.13 N ATOM 972 CA GLN A 61 0.903 -16.997 13.462 1.00 10.52 C ATOM 973 C GLN A 61 1.758 -16.989 12.192 1.00 10.35 C ATOM 974 O GLN A 61 1.367 -17.607 11.188 1.00 11.88 O ATOM 975 CB GLN A 61 -0.302 -16.059 13.321 1.00 9.64 C ATOM 976 CG GLN A 61 0.045 -14.586 13.123 1.00 11.52 C ATOM 977 CD GLN A 61 -1.182 -13.690 13.048 1.00 14.52 C ATOM 978 OE1 GLN A 61 -2.281 -14.088 13.428 1.00 17.02 O ATOM 979 NE2 GLN A 61 -0.997 -12.482 12.548 1.00 15.37 N ATOM 980 HA GLN A 61 0.536 -18.015 13.595 1.00 0.00 H ATOM 981 HB2 GLN A 61 -0.887 -16.387 12.462 1.00 0.00 H ATOM 982 HB3 GLN A 61 -0.906 -16.146 14.224 1.00 0.00 H ATOM 983 HG2 GLN A 61 0.663 -14.259 13.959 1.00 0.00 H ATOM 984 HG3 GLN A 61 0.607 -14.483 12.195 1.00 0.00 H ATOM 985 HE22 GLN A 61 -0.049 -12.187 12.239 1.00 0.00 H ATOM 986 HE21 GLN A 61 -1.799 -11.826 12.464 1.00 0.00 H ATOM 987 H GLN A 61 1.454 -15.779 15.162 1.00 0.00 H ATOM 988 N LEU A 62 2.913 -16.320 12.225 1.00 7.12 N ATOM 989 CA LEU A 62 3.811 -16.293 11.057 1.00 6.96 C ATOM 990 C LEU A 62 4.925 -17.342 11.101 1.00 7.44 C ATOM 991 O LEU A 62 5.734 -17.435 10.161 1.00 7.29 O ATOM 992 CB LEU A 62 4.443 -14.903 10.854 1.00 8.44 C ATOM 993 CG LEU A 62 3.500 -13.717 10.649 1.00 8.66 C ATOM 994 CD1 LEU A 62 4.298 -12.461 10.401 1.00 9.80 C ATOM 995 CD2 LEU A 62 2.541 -14.006 9.494 1.00 12.52 C ATOM 996 HA LEU A 62 3.165 -16.536 10.214 1.00 0.00 H ATOM 997 HB2 LEU A 62 5.049 -14.689 11.734 1.00 0.00 H ATOM 998 HB3 LEU A 62 5.087 -14.963 9.977 1.00 0.00 H ATOM 999 HG LEU A 62 2.906 -13.565 11.550 1.00 0.00 H ATOM 1000 HD21 LEU A 62 3.113 -14.172 8.581 1.00 0.00 H ATOM 1001 HD22 LEU A 62 1.955 -14.896 9.724 1.00 0.00 H ATOM 1002 HD23 LEU A 62 1.874 -13.155 9.356 1.00 0.00 H ATOM 1003 HD11 LEU A 62 4.941 -12.265 11.259 1.00 0.00 H ATOM 1004 HD12 LEU A 62 4.911 -12.592 9.509 1.00 0.00 H ATOM 1005 HD13 LEU A 62 3.617 -11.622 10.256 1.00 0.00 H ATOM 1006 H LEU A 62 3.183 -15.809 13.090 1.00 0.00 H ATOM 1007 N ASN A 63 4.963 -18.161 12.152 1.00 6.59 N ATOM 1008 CA ASN A 63 6.019 -19.175 12.225 1.00 6.47 C ATOM 1009 C ASN A 63 6.134 -20.039 10.966 1.00 5.98 C ATOM 1010 O ASN A 63 7.244 -20.402 10.584 1.00 6.34 O ATOM 1011 CB ASN A 63 5.815 -20.093 13.418 1.00 6.62 C ATOM 1012 CG ASN A 63 6.229 -19.456 14.712 1.00 6.19 C ATOM 1013 OD1 ASN A 63 6.616 -18.285 14.749 1.00 5.34 O ATOM 1014 ND2 ASN A 63 6.187 -20.241 15.797 1.00 9.63 N ATOM 1015 HA ASN A 63 6.945 -18.609 12.328 1.00 0.00 H ATOM 1016 HB2 ASN A 63 4.759 -20.356 13.480 1.00 0.00 H ATOM 1017 HB3 ASN A 63 6.405 -20.997 13.269 1.00 0.00 H ATOM 1018 HD22 ASN A 63 5.853 -21.223 15.716 1.00 0.00 H ATOM 1019 HD21 ASN A 63 6.489 -19.869 16.720 1.00 0.00 H ATOM 1020 H ASN A 63 4.254 -18.082 12.909 1.00 0.00 H ATOM 1021 N PRO A 64 5.003 -20.393 10.319 1.00 6.34 N ATOM 1022 CA PRO A 64 5.207 -21.269 9.159 1.00 6.86 C ATOM 1023 C PRO A 64 6.055 -20.634 8.039 1.00 6.42 C ATOM 1024 O PRO A 64 6.632 -21.366 7.231 1.00 6.68 O ATOM 1025 CB PRO A 64 3.790 -21.523 8.654 1.00 9.40 C ATOM 1026 CG PRO A 64 2.908 -21.319 9.884 1.00 10.61 C ATOM 1027 CD PRO A 64 3.570 -20.217 10.644 1.00 7.17 C ATOM 1028 HA PRO A 64 5.758 -22.165 9.443 1.00 0.00 H ATOM 1029 HD3 PRO A 64 3.211 -19.243 10.312 1.00 0.00 H ATOM 1030 HD2 PRO A 64 3.396 -20.322 11.715 1.00 0.00 H ATOM 1031 HG3 PRO A 64 2.866 -22.229 10.483 1.00 0.00 H ATOM 1032 HG2 PRO A 64 1.898 -21.032 9.590 1.00 0.00 H ATOM 1033 HB2 PRO A 64 3.527 -20.815 7.868 1.00 0.00 H ATOM 1034 HB3 PRO A 64 3.692 -22.539 8.273 1.00 0.00 H ATOM 1035 N LEU A 65 6.149 -19.316 7.999 1.00 5.98 N ATOM 1036 CA LEU A 65 6.967 -18.678 6.951 1.00 5.78 C ATOM 1037 C LEU A 65 8.424 -19.054 7.128 1.00 6.15 C ATOM 1038 O LEU A 65 9.137 -19.270 6.159 1.00 6.90 O ATOM 1039 CB LEU A 65 6.823 -17.162 6.977 1.00 5.37 C ATOM 1040 CG LEU A 65 5.407 -16.637 6.775 1.00 8.28 C ATOM 1041 CD1 LEU A 65 5.460 -15.137 6.683 1.00 9.71 C ATOM 1042 CD2 LEU A 65 4.727 -17.186 5.529 1.00 10.71 C ATOM 1043 HA LEU A 65 6.610 -19.037 5.986 1.00 0.00 H ATOM 1044 HB2 LEU A 65 7.179 -16.807 7.944 1.00 0.00 H ATOM 1045 HB3 LEU A 65 7.451 -16.751 6.186 1.00 0.00 H ATOM 1046 HG LEU A 65 4.816 -16.971 7.628 1.00 0.00 H ATOM 1047 HD21 LEU A 65 5.307 -16.909 4.648 1.00 0.00 H ATOM 1048 HD22 LEU A 65 4.666 -18.272 5.599 1.00 0.00 H ATOM 1049 HD23 LEU A 65 3.723 -16.769 5.451 1.00 0.00 H ATOM 1050 HD11 LEU A 65 5.879 -14.732 7.605 1.00 0.00 H ATOM 1051 HD12 LEU A 65 6.087 -14.848 5.840 1.00 0.00 H ATOM 1052 HD13 LEU A 65 4.452 -14.747 6.538 1.00 0.00 H ATOM 1053 H LEU A 65 5.650 -18.734 8.701 1.00 0.00 H ATOM 1054 N VAL A 66 8.851 -19.179 8.378 1.00 7.29 N ATOM 1055 CA VAL A 66 10.235 -19.598 8.636 1.00 7.40 C ATOM 1056 C VAL A 66 10.389 -21.109 8.482 1.00 7.01 C ATOM 1057 O VAL A 66 11.365 -21.605 7.910 1.00 8.54 O ATOM 1058 CB VAL A 66 10.677 -19.192 10.051 1.00 10.07 C ATOM 1059 CG1 VAL A 66 12.074 -19.786 10.362 1.00 8.85 C ATOM 1060 CG2 VAL A 66 10.705 -17.694 10.179 1.00 10.35 C ATOM 1061 HA VAL A 66 10.866 -19.096 7.902 1.00 0.00 H ATOM 1062 HB VAL A 66 9.960 -19.587 10.771 1.00 0.00 H ATOM 1063 HG11 VAL A 66 12.027 -20.873 10.299 1.00 0.00 H ATOM 1064 HG12 VAL A 66 12.797 -19.409 9.638 1.00 0.00 H ATOM 1065 HG13 VAL A 66 12.377 -19.492 11.367 1.00 0.00 H ATOM 1066 HG21 VAL A 66 11.407 -17.282 9.454 1.00 0.00 H ATOM 1067 HG22 VAL A 66 9.708 -17.296 9.989 1.00 0.00 H ATOM 1068 HG23 VAL A 66 11.020 -17.423 11.187 1.00 0.00 H ATOM 1069 H VAL A 66 8.209 -18.981 9.172 1.00 0.00 H ATOM 1070 N GLU A 67 9.405 -21.850 8.974 1.00 6.99 N ATOM 1071 CA GLU A 67 9.523 -23.288 9.026 1.00 7.58 C ATOM 1072 C GLU A 67 9.382 -23.935 7.662 1.00 7.92 C ATOM 1073 O GLU A 67 9.992 -24.966 7.423 1.00 10.18 O ATOM 1074 CB GLU A 67 8.537 -23.860 10.037 1.00 10.39 C ATOM 1075 CG GLU A 67 8.948 -23.398 11.436 1.00 14.11 C ATOM 1076 CD GLU A 67 7.929 -23.669 12.522 1.00 20.29 C ATOM 1077 OE1 GLU A 67 6.826 -24.176 12.200 1.00 22.80 O ATOM 1078 OE2 GLU A 67 8.260 -23.375 13.708 1.00 17.59 O ATOM 1079 HA GLU A 67 10.533 -23.526 9.360 1.00 0.00 H ATOM 1080 HB2 GLU A 67 7.532 -23.503 9.813 1.00 0.00 H ATOM 1081 HB3 GLU A 67 8.553 -24.949 9.990 1.00 0.00 H ATOM 1082 HG2 GLU A 67 9.873 -23.909 11.704 1.00 0.00 H ATOM 1083 HG3 GLU A 67 9.126 -22.323 11.399 1.00 0.00 H ATOM 1084 H GLU A 67 8.541 -21.391 9.326 1.00 0.00 H ATOM 1085 N GLU A 68 8.627 -23.317 6.756 1.00 7.21 N ATOM 1086 CA GLU A 68 8.207 -23.993 5.525 1.00 12.33 C ATOM 1087 C GLU A 68 8.390 -23.214 4.253 1.00 14.40 C ATOM 1088 O GLU A 68 8.449 -23.822 3.183 1.00 16.57 O ATOM 1089 CB GLU A 68 6.704 -24.355 5.585 1.00 10.80 C ATOM 1090 CG GLU A 68 6.329 -25.246 6.732 1.00 9.66 C ATOM 1091 CD GLU A 68 4.852 -25.214 7.003 1.00 10.76 C ATOM 1092 OE1 GLU A 68 4.076 -24.905 6.056 1.00 11.14 O ATOM 1093 OE2 GLU A 68 4.491 -25.475 8.171 1.00 11.38 O ATOM 1094 HA GLU A 68 8.864 -24.862 5.488 1.00 0.00 H ATOM 1095 HB2 GLU A 68 6.133 -23.430 5.670 1.00 0.00 H ATOM 1096 HB3 GLU A 68 6.437 -24.862 4.657 1.00 0.00 H ATOM 1097 HG2 GLU A 68 6.623 -26.269 6.495 1.00 0.00 H ATOM 1098 HG3 GLU A 68 6.859 -24.914 7.625 1.00 0.00 H ATOM 1099 H GLU A 68 8.329 -22.335 6.925 1.00 0.00 H ATOM 1100 N GLU A 69 8.460 -21.887 4.354 1.00 12.20 N ATOM 1101 CA GLU A 69 8.420 -21.068 3.157 1.00 12.33 C ATOM 1102 C GLU A 69 9.629 -20.124 3.005 1.00 14.65 C ATOM 1103 O GLU A 69 9.561 -19.094 2.331 1.00 18.05 O ATOM 1104 CB GLU A 69 7.095 -20.344 3.082 1.00 11.35 C ATOM 1105 CG GLU A 69 5.870 -21.290 3.065 1.00 11.17 C ATOM 1106 CD GLU A 69 5.779 -22.122 1.784 1.00 14.39 C ATOM 1107 OE1 GLU A 69 5.074 -23.176 1.730 1.00 14.23 O ATOM 1108 OE2 GLU A 69 6.443 -21.710 0.818 1.00 19.00 O ATOM 1109 HA GLU A 69 8.502 -21.736 2.299 1.00 0.00 H ATOM 1110 HB2 GLU A 69 7.011 -19.688 3.948 1.00 0.00 H ATOM 1111 HB3 GLU A 69 7.081 -19.745 2.171 1.00 0.00 H ATOM 1112 HG2 GLU A 69 5.941 -21.967 3.916 1.00 0.00 H ATOM 1113 HG3 GLU A 69 4.965 -20.689 3.155 1.00 0.00 H ATOM 1114 H GLU A 69 8.543 -21.439 5.289 1.00 0.00 H ATOM 1115 N GLN A 70 10.742 -20.514 3.609 1.00 14.76 N ATOM 1116 CA GLN A 70 12.046 -19.936 3.296 1.00 12.78 C ATOM 1117 C GLN A 70 12.187 -18.451 3.640 1.00 16.59 C ATOM 1118 O GLN A 70 13.082 -17.804 3.105 1.00 18.46 O ATOM 1119 CB GLN A 70 12.406 -20.196 1.834 1.00 16.19 C ATOM 1120 CG GLN A 70 12.405 -21.675 1.414 1.00 19.08 C ATOM 1121 CD GLN A 70 12.645 -21.867 -0.077 1.00 21.59 C ATOM 1122 OE1 GLN A 70 11.823 -21.482 -0.915 1.00 23.04 O ATOM 1123 NE2 GLN A 70 13.777 -22.472 -0.415 1.00 23.22 N ATOM 1124 HA GLN A 70 12.757 -20.444 3.947 1.00 0.00 H ATOM 1125 HB2 GLN A 70 11.686 -19.667 1.210 1.00 0.00 H ATOM 1126 HB3 GLN A 70 13.404 -19.795 1.655 1.00 0.00 H ATOM 1127 HG2 GLN A 70 13.191 -22.193 1.963 1.00 0.00 H ATOM 1128 HG3 GLN A 70 11.438 -22.109 1.670 1.00 0.00 H ATOM 1129 HE22 GLN A 70 14.442 -22.781 0.323 1.00 0.00 H ATOM 1130 HE21 GLN A 70 13.999 -22.638 -1.417 1.00 0.00 H ATOM 1131 H GLN A 70 10.685 -21.259 4.332 1.00 0.00 H ATOM 1132 N LEU A 71 11.315 -17.903 4.500 1.00 15.56 N ATOM 1133 CA LEU A 71 11.569 -16.586 5.101 1.00 14.63 C ATOM 1134 C LEU A 71 12.894 -16.781 5.785 1.00 13.51 C ATOM 1135 O LEU A 71 12.999 -17.549 6.723 1.00 12.33 O ATOM 1136 CB LEU A 71 10.508 -16.186 6.128 1.00 14.17 C ATOM 1137 CG LEU A 71 10.770 -14.849 6.837 1.00 14.44 C ATOM 1138 CD1 LEU A 71 10.708 -13.721 5.840 1.00 15.85 C ATOM 1139 CD2 LEU A 71 9.782 -14.585 7.963 1.00 14.39 C ATOM 1140 HA LEU A 71 11.554 -15.791 4.355 1.00 0.00 H ATOM 1141 HB2 LEU A 71 9.549 -16.116 5.615 1.00 0.00 H ATOM 1142 HB3 LEU A 71 10.457 -16.968 6.886 1.00 0.00 H ATOM 1143 HG LEU A 71 11.764 -14.909 7.279 1.00 0.00 H ATOM 1144 HD21 LEU A 71 8.770 -14.559 7.558 1.00 0.00 H ATOM 1145 HD22 LEU A 71 9.858 -15.380 8.705 1.00 0.00 H ATOM 1146 HD23 LEU A 71 10.013 -13.627 8.430 1.00 0.00 H ATOM 1147 HD11 LEU A 71 11.465 -13.876 5.071 1.00 0.00 H ATOM 1148 HD12 LEU A 71 9.720 -13.698 5.380 1.00 0.00 H ATOM 1149 HD13 LEU A 71 10.895 -12.776 6.350 1.00 0.00 H ATOM 1150 H LEU A 71 10.446 -18.418 4.745 1.00 0.00 H ATOM 1151 N SER A 72 13.934 -16.130 5.284 1.00 10.60 N ATOM 1152 CA SER A 72 15.278 -16.459 5.694 1.00 11.73 C ATOM 1153 C SER A 72 16.182 -15.298 5.367 1.00 9.30 C ATOM 1154 O SER A 72 15.767 -14.334 4.722 1.00 7.32 O ATOM 1155 CB SER A 72 15.788 -17.727 4.995 1.00 15.36 C ATOM 1156 OG SER A 72 15.903 -17.529 3.607 1.00 17.97 O ATOM 1157 HA SER A 72 15.277 -16.652 6.767 1.00 0.00 H ATOM 1158 HB2 SER A 72 15.089 -18.542 5.182 1.00 0.00 H ATOM 1159 HB3 SER A 72 16.766 -17.988 5.400 1.00 0.00 H ATOM 1160 HG SER A 72 15.016 -17.296 3.234 1.00 0.00 H ATOM 1161 H SER A 72 13.780 -15.373 4.587 1.00 0.00 H ATOM 1162 N SER A 73 17.428 -15.411 5.792 1.00 10.47 N ATOM 1163 CA SER A 73 18.411 -14.360 5.595 1.00 9.64 C ATOM 1164 C SER A 73 18.475 -13.922 4.138 1.00 7.25 C ATOM 1165 O SER A 73 18.570 -14.745 3.242 1.00 7.52 O ATOM 1166 CB SER A 73 19.791 -14.836 6.054 1.00 13.22 C ATOM 1167 OG SER A 73 19.760 -15.261 7.406 1.00 15.91 O ATOM 1168 HA SER A 73 18.104 -13.502 6.194 1.00 0.00 H ATOM 1169 HB2 SER A 73 20.502 -14.016 5.954 1.00 0.00 H ATOM 1170 HB3 SER A 73 20.108 -15.669 5.426 1.00 0.00 H ATOM 1171 HG SER A 73 19.118 -16.009 7.501 1.00 0.00 H ATOM 1172 H SER A 73 17.714 -16.281 6.284 1.00 0.00 H ATOM 1173 N ASN A 74 18.435 -12.608 3.954 1.00 4.83 N ATOM 1174 CA ASN A 74 18.536 -11.906 2.676 1.00 4.91 C ATOM 1175 C ASN A 74 17.197 -11.607 2.025 1.00 4.67 C ATOM 1176 O ASN A 74 17.128 -10.763 1.149 1.00 4.74 O ATOM 1177 CB ASN A 74 19.487 -12.579 1.665 1.00 5.87 C ATOM 1178 CG ASN A 74 20.915 -12.652 2.177 1.00 10.31 C ATOM 1179 OD1 ASN A 74 21.395 -11.715 2.799 1.00 12.70 O ATOM 1180 ND2 ASN A 74 21.566 -13.798 1.974 1.00 11.35 N ATOM 1181 HA ASN A 74 18.980 -10.950 2.954 1.00 0.00 H ATOM 1182 HB2 ASN A 74 19.132 -13.591 1.470 1.00 0.00 H ATOM 1183 HB3 ASN A 74 19.476 -12.006 0.738 1.00 0.00 H ATOM 1184 HD22 ASN A 74 21.113 -14.565 1.438 1.00 0.00 H ATOM 1185 HD21 ASN A 74 22.527 -13.924 2.352 1.00 0.00 H ATOM 1186 H ASN A 74 18.320 -12.019 4.804 1.00 0.00 H ATOM 1187 N CYS A 75 16.106 -12.233 2.448 1.00 4.60 N ATOM 1188 CA CYS A 75 14.856 -11.903 1.780 1.00 4.83 C ATOM 1189 C CYS A 75 14.402 -10.486 2.134 1.00 5.33 C ATOM 1190 O CYS A 75 14.748 -9.926 3.162 1.00 5.06 O ATOM 1191 CB CYS A 75 13.763 -12.939 2.035 1.00 4.86 C ATOM 1192 SG CYS A 75 12.949 -12.772 3.574 1.00 6.42 S ATOM 1193 HA CYS A 75 15.048 -11.930 0.707 1.00 0.00 H ATOM 1194 HB2 CYS A 75 14.216 -13.929 1.995 1.00 0.00 H ATOM 1195 HB3 CYS A 75 13.018 -12.850 1.244 1.00 0.00 H ATOM 1196 HG CYS A 75 13.869 -12.899 4.595 1.00 0.00 H ATOM 1197 H CYS A 75 16.143 -12.927 3.221 1.00 0.00 H ATOM 1198 N VAL A 76 13.675 -9.909 1.189 1.00 4.44 N ATOM 1199 CA VAL A 76 13.161 -8.569 1.301 1.00 4.30 C ATOM 1200 C VAL A 76 11.644 -8.657 1.462 1.00 4.30 C ATOM 1201 O VAL A 76 10.971 -9.294 0.669 1.00 5.41 O ATOM 1202 CB VAL A 76 13.581 -7.755 0.109 1.00 4.93 C ATOM 1203 CG1 VAL A 76 12.835 -6.430 0.095 1.00 5.27 C ATOM 1204 CG2 VAL A 76 15.095 -7.529 0.162 1.00 5.92 C ATOM 1205 HA VAL A 76 13.568 -8.059 2.174 1.00 0.00 H ATOM 1206 HB VAL A 76 13.336 -8.290 -0.808 1.00 0.00 H ATOM 1207 HG11 VAL A 76 11.763 -6.619 0.041 1.00 0.00 H ATOM 1208 HG12 VAL A 76 13.063 -5.877 1.006 1.00 0.00 H ATOM 1209 HG13 VAL A 76 13.147 -5.848 -0.772 1.00 0.00 H ATOM 1210 HG21 VAL A 76 15.350 -6.996 1.078 1.00 0.00 H ATOM 1211 HG22 VAL A 76 15.606 -8.492 0.147 1.00 0.00 H ATOM 1212 HG23 VAL A 76 15.403 -6.939 -0.701 1.00 0.00 H ATOM 1213 H VAL A 76 13.466 -10.449 0.325 1.00 0.00 H ATOM 1214 N CYS A 77 11.127 -8.040 2.519 1.00 4.83 N ATOM 1215 CA CYS A 77 9.713 -8.164 2.799 1.00 5.78 C ATOM 1216 C CYS A 77 9.061 -6.868 3.207 1.00 5.66 C ATOM 1217 O CYS A 77 9.672 -5.955 3.759 1.00 5.97 O ATOM 1218 CB CYS A 77 9.475 -9.210 3.875 1.00 5.82 C ATOM 1219 SG CYS A 77 10.338 -8.846 5.402 1.00 5.52 S ATOM 1220 HA CYS A 77 9.250 -8.471 1.861 1.00 0.00 H ATOM 1221 HB2 CYS A 77 9.817 -10.176 3.503 1.00 0.00 H ATOM 1222 HB3 CYS A 77 8.406 -9.260 4.082 1.00 0.00 H ATOM 1223 HG CYS A 77 10.073 -9.837 6.325 1.00 0.00 H ATOM 1224 H CYS A 77 11.735 -7.471 3.142 1.00 0.00 H ATOM 1225 N GLN A 78 7.770 -6.805 2.903 1.00 5.08 N ATOM 1226 CA GLN A 78 6.979 -5.666 3.283 1.00 4.31 C ATOM 1227 C GLN A 78 6.228 -6.012 4.544 1.00 4.48 C ATOM 1228 O GLN A 78 5.597 -7.075 4.626 1.00 5.17 O ATOM 1229 CB GLN A 78 5.989 -5.294 2.176 1.00 5.04 C ATOM 1230 CG GLN A 78 5.173 -4.063 2.566 1.00 6.33 C ATOM 1231 CD GLN A 78 4.582 -3.322 1.382 1.00 8.67 C ATOM 1232 OE1 GLN A 78 4.238 -3.922 0.361 1.00 11.54 O ATOM 1233 NE2 GLN A 78 4.457 -2.007 1.515 1.00 9.66 N ATOM 1234 HA GLN A 78 7.633 -4.810 3.449 1.00 0.00 H ATOM 1235 HB2 GLN A 78 6.540 -5.082 1.260 1.00 0.00 H ATOM 1236 HB3 GLN A 78 5.313 -6.132 2.005 1.00 0.00 H ATOM 1237 HG2 GLN A 78 4.357 -4.382 3.215 1.00 0.00 H ATOM 1238 HG3 GLN A 78 5.822 -3.378 3.111 1.00 0.00 H ATOM 1239 HE22 GLN A 78 4.760 -1.542 2.394 1.00 0.00 H ATOM 1240 HE21 GLN A 78 4.056 -1.442 0.740 1.00 0.00 H ATOM 1241 H GLN A 78 7.326 -7.589 2.384 1.00 0.00 H ATOM 1242 N ILE A 79 6.315 -5.135 5.534 1.00 4.17 N ATOM 1243 CA ILE A 79 5.606 -5.335 6.802 1.00 4.19 C ATOM 1244 C ILE A 79 4.234 -4.685 6.699 1.00 5.44 C ATOM 1245 O ILE A 79 4.108 -3.459 6.691 1.00 6.67 O ATOM 1246 CB ILE A 79 6.382 -4.752 7.997 1.00 4.12 C ATOM 1247 CG1 ILE A 79 7.839 -5.228 7.996 1.00 5.29 C ATOM 1248 CG2 ILE A 79 5.651 -5.084 9.299 1.00 4.47 C ATOM 1249 CD1 ILE A 79 8.008 -6.727 7.793 1.00 4.42 C ATOM 1250 HA ILE A 79 5.508 -6.406 6.979 1.00 0.00 H ATOM 1251 HB ILE A 79 6.420 -3.666 7.908 1.00 0.00 H ATOM 1252 HG12 ILE A 79 8.366 -4.713 7.193 1.00 0.00 H ATOM 1253 HG13 ILE A 79 8.287 -4.960 8.953 1.00 0.00 H ATOM 1254 HD11 ILE A 79 7.498 -7.261 8.595 1.00 0.00 H ATOM 1255 HD12 ILE A 79 7.578 -7.013 6.833 1.00 0.00 H ATOM 1256 HD13 ILE A 79 9.069 -6.977 7.806 1.00 0.00 H ATOM 1257 HG21 ILE A 79 4.650 -4.653 9.273 1.00 0.00 H ATOM 1258 HG22 ILE A 79 5.579 -6.166 9.408 1.00 0.00 H ATOM 1259 HG23 ILE A 79 6.205 -4.669 10.141 1.00 0.00 H ATOM 1260 H ILE A 79 6.900 -4.284 5.409 1.00 0.00 H ATOM 1261 N HIS A 80 3.204 -5.504 6.615 1.00 4.66 N ATOM 1262 CA HIS A 80 1.846 -4.993 6.464 1.00 5.00 C ATOM 1263 C HIS A 80 1.170 -4.643 7.774 1.00 5.22 C ATOM 1264 O HIS A 80 0.270 -3.804 7.805 1.00 8.43 O ATOM 1265 CB HIS A 80 0.967 -5.964 5.663 1.00 6.81 C ATOM 1266 CG HIS A 80 1.344 -6.035 4.220 1.00 6.62 C ATOM 1267 ND1 HIS A 80 0.986 -5.055 3.323 1.00 11.33 N ATOM 1268 CD2 HIS A 80 2.116 -6.913 3.533 1.00 8.43 C ATOM 1269 CE1 HIS A 80 1.482 -5.348 2.133 1.00 10.14 C ATOM 1270 NE2 HIS A 80 2.165 -6.473 2.229 1.00 10.16 N ATOM 1271 HA HIS A 80 1.955 -4.060 5.910 1.00 0.00 H ATOM 1272 HB2 HIS A 80 1.063 -6.959 6.097 1.00 0.00 H ATOM 1273 HB3 HIS A 80 -0.070 -5.636 5.736 1.00 0.00 H ATOM 1274 HD2 HIS A 80 2.605 -7.799 3.937 1.00 0.00 H ATOM 1275 HE1 HIS A 80 1.349 -4.759 1.225 1.00 0.00 H ATOM 1276 H HIS A 80 3.362 -6.531 6.657 1.00 0.00 H ATOM 1277 N ARG A 81 1.566 -5.311 8.847 1.00 4.95 N ATOM 1278 CA ARG A 81 1.023 -5.008 10.158 1.00 5.31 C ATOM 1279 C ARG A 81 2.049 -5.384 11.202 1.00 4.86 C ATOM 1280 O ARG A 81 2.609 -6.489 11.166 1.00 5.76 O ATOM 1281 CB ARG A 81 -0.300 -5.749 10.417 1.00 8.07 C ATOM 1282 CG ARG A 81 -0.941 -5.527 11.783 1.00 12.74 C ATOM 1283 CD ARG A 81 -2.365 -6.135 11.876 1.00 17.27 C ATOM 1284 NE ARG A 81 -2.423 -7.589 11.683 1.00 18.28 N ATOM 1285 CZ ARG A 81 -2.924 -8.458 12.566 1.00 21.28 C ATOM 1286 NH1 ARG A 81 -3.403 -8.034 13.727 1.00 23.64 N ATOM 1287 NH2 ARG A 81 -2.945 -9.767 12.297 1.00 22.54 N ATOM 1288 HA ARG A 81 0.804 -3.941 10.208 1.00 0.00 H ATOM 1289 HB2 ARG A 81 -1.014 -5.429 9.658 1.00 0.00 H ATOM 1290 HB3 ARG A 81 -0.110 -6.817 10.308 1.00 0.00 H ATOM 1291 HG2 ARG A 81 -0.312 -5.990 12.544 1.00 0.00 H ATOM 1292 HG3 ARG A 81 -1.005 -4.455 11.969 1.00 0.00 H ATOM 1293 HD2 ARG A 81 -2.986 -5.666 11.113 1.00 0.00 H ATOM 1294 HD3 ARG A 81 -2.769 -5.906 12.862 1.00 0.00 H ATOM 1295 HE ARG A 81 -2.046 -7.971 10.792 1.00 0.00 H ATOM 1296 HH12 ARG A 81 -3.791 -8.716 14.409 1.00 0.00 H ATOM 1297 HH11 ARG A 81 -3.390 -7.019 13.955 1.00 0.00 H ATOM 1298 HH22 ARG A 81 -3.337 -10.434 12.992 1.00 0.00 H ATOM 1299 HH21 ARG A 81 -2.569 -10.118 11.393 1.00 0.00 H ATOM 1300 H ARG A 81 2.277 -6.064 8.748 1.00 0.00 H ATOM 1301 N PHE A 82 2.264 -4.476 12.147 1.00 5.29 N ATOM 1302 CA PHE A 82 3.128 -4.756 13.278 1.00 5.31 C ATOM 1303 C PHE A 82 2.672 -3.965 14.490 1.00 5.54 C ATOM 1304 O PHE A 82 1.925 -2.987 14.351 1.00 5.57 O ATOM 1305 CB PHE A 82 4.596 -4.407 12.962 1.00 5.53 C ATOM 1306 CG PHE A 82 4.849 -2.943 12.742 1.00 6.23 C ATOM 1307 CD1 PHE A 82 4.631 -2.373 11.493 1.00 7.95 C ATOM 1308 CD2 PHE A 82 5.286 -2.136 13.781 1.00 6.13 C ATOM 1309 CE1 PHE A 82 4.864 -1.007 11.288 1.00 8.37 C ATOM 1310 CE2 PHE A 82 5.532 -0.775 13.569 1.00 8.67 C ATOM 1311 CZ PHE A 82 5.304 -0.226 12.329 1.00 9.64 C ATOM 1312 HA PHE A 82 3.064 -5.823 13.489 1.00 0.00 H ATOM 1313 HB2 PHE A 82 5.214 -4.739 13.797 1.00 0.00 H ATOM 1314 HB3 PHE A 82 4.888 -4.944 12.059 1.00 0.00 H ATOM 1315 HD2 PHE A 82 5.439 -2.565 14.771 1.00 0.00 H ATOM 1316 HE2 PHE A 82 5.903 -0.153 14.383 1.00 0.00 H ATOM 1317 HZ PHE A 82 5.474 0.839 12.171 1.00 0.00 H ATOM 1318 HE1 PHE A 82 4.697 -0.565 10.306 1.00 0.00 H ATOM 1319 HD1 PHE A 82 4.277 -2.992 10.669 1.00 0.00 H ATOM 1320 H PHE A 82 1.804 -3.546 12.075 1.00 0.00 H ATOM 1321 N ILE A 83 3.105 -4.430 15.661 1.00 6.07 N ATOM 1322 CA ILE A 83 2.953 -3.642 16.870 1.00 6.83 C ATOM 1323 C ILE A 83 4.256 -3.620 17.618 1.00 5.76 C ATOM 1324 O ILE A 83 5.172 -4.395 17.332 1.00 8.35 O ATOM 1325 CB ILE A 83 1.868 -4.181 17.778 1.00 8.91 C ATOM 1326 CG1 ILE A 83 2.160 -5.645 18.128 1.00 8.62 C ATOM 1327 CG2 ILE A 83 0.499 -3.999 17.123 1.00 10.42 C ATOM 1328 CD1 ILE A 83 1.308 -6.181 19.262 1.00 13.66 C ATOM 1329 HA ILE A 83 2.662 -2.635 16.569 1.00 0.00 H ATOM 1330 HB ILE A 83 1.855 -3.620 18.713 1.00 0.00 H ATOM 1331 HG12 ILE A 83 1.978 -6.254 17.243 1.00 0.00 H ATOM 1332 HG13 ILE A 83 3.208 -5.728 18.415 1.00 0.00 H ATOM 1333 HD11 ILE A 83 1.487 -5.590 20.160 1.00 0.00 H ATOM 1334 HD12 ILE A 83 0.255 -6.116 18.986 1.00 0.00 H ATOM 1335 HD13 ILE A 83 1.571 -7.221 19.452 1.00 0.00 H ATOM 1336 HG21 ILE A 83 0.322 -2.939 16.942 1.00 0.00 H ATOM 1337 HG22 ILE A 83 0.476 -4.539 16.176 1.00 0.00 H ATOM 1338 HG23 ILE A 83 -0.274 -4.390 17.785 1.00 0.00 H ATOM 1339 H ILE A 83 3.556 -5.366 15.709 1.00 0.00 H ATOM 1340 N VAL A 84 4.352 -2.710 18.564 1.00 5.13 N ATOM 1341 CA VAL A 84 5.500 -2.676 19.455 1.00 5.07 C ATOM 1342 C VAL A 84 5.025 -2.966 20.883 1.00 5.73 C ATOM 1343 O VAL A 84 4.044 -2.379 21.375 1.00 8.00 O ATOM 1344 CB VAL A 84 6.198 -1.315 19.420 1.00 5.93 C ATOM 1345 CG1 VAL A 84 7.412 -1.293 20.378 1.00 12.31 C ATOM 1346 CG2 VAL A 84 6.617 -0.974 17.990 1.00 7.51 C ATOM 1347 HA VAL A 84 6.216 -3.429 19.126 1.00 0.00 H ATOM 1348 HB VAL A 84 5.495 -0.555 19.762 1.00 0.00 H ATOM 1349 HG11 VAL A 84 7.074 -1.488 21.396 1.00 0.00 H ATOM 1350 HG12 VAL A 84 8.125 -2.061 20.077 1.00 0.00 H ATOM 1351 HG13 VAL A 84 7.890 -0.314 20.334 1.00 0.00 H ATOM 1352 HG21 VAL A 84 7.303 -1.737 17.622 1.00 0.00 H ATOM 1353 HG22 VAL A 84 5.734 -0.939 17.352 1.00 0.00 H ATOM 1354 HG23 VAL A 84 7.112 -0.003 17.980 1.00 0.00 H ATOM 1355 H VAL A 84 3.596 -2.005 18.676 1.00 0.00 H ATOM 1356 N ASN A 85 5.698 -3.909 21.536 1.00 5.25 N ATOM 1357 CA ASN A 85 5.424 -4.225 22.932 1.00 5.55 C ATOM 1358 C ASN A 85 6.659 -3.920 23.741 1.00 6.20 C ATOM 1359 O ASN A 85 7.763 -4.016 23.246 1.00 8.21 O ATOM 1360 CB ASN A 85 5.044 -5.703 23.085 1.00 5.72 C ATOM 1361 CG ASN A 85 3.556 -5.922 22.966 1.00 6.14 C ATOM 1362 OD1 ASN A 85 2.802 -5.049 23.308 1.00 7.68 O ATOM 1363 ND2 ASN A 85 3.140 -7.091 22.501 1.00 7.57 N ATOM 1364 HA ASN A 85 4.586 -3.624 23.287 1.00 0.00 H ATOM 1365 HB2 ASN A 85 5.547 -6.278 22.308 1.00 0.00 H ATOM 1366 HB3 ASN A 85 5.374 -6.051 24.064 1.00 0.00 H ATOM 1367 HD22 ASN A 85 3.832 -7.814 22.218 1.00 0.00 H ATOM 1368 HD21 ASN A 85 2.122 -7.285 22.419 1.00 0.00 H ATOM 1369 H ASN A 85 6.442 -4.436 21.036 1.00 0.00 H ATOM 1370 N THR A 86 6.471 -3.578 24.991 1.00 5.95 N ATOM 1371 CA THR A 86 7.563 -3.234 25.887 1.00 6.09 C ATOM 1372 C THR A 86 7.567 -4.243 27.007 1.00 6.26 C ATOM 1373 O THR A 86 6.538 -4.543 27.593 1.00 6.53 O ATOM 1374 CB THR A 86 7.369 -1.816 26.435 1.00 6.52 C ATOM 1375 OG1 THR A 86 7.280 -0.923 25.323 1.00 6.40 O ATOM 1376 CG2 THR A 86 8.520 -1.402 27.323 1.00 6.73 C ATOM 1377 HA THR A 86 8.517 -3.255 25.359 1.00 0.00 H ATOM 1378 HB THR A 86 6.461 -1.787 27.038 1.00 0.00 H ATOM 1379 HG1 THR A 86 7.154 0.002 25.653 1.00 0.00 H ATOM 1380 HG23 THR A 86 8.587 -2.084 28.171 1.00 0.00 H ATOM 1381 HG21 THR A 86 9.448 -1.437 26.753 1.00 0.00 H ATOM 1382 HG22 THR A 86 8.352 -0.387 27.684 1.00 0.00 H ATOM 1383 H THR A 86 5.499 -3.551 25.359 1.00 0.00 H ATOM 1384 N LEU A 87 8.748 -4.758 27.300 1.00 6.14 N ATOM 1385 CA LEU A 87 8.911 -5.709 28.383 1.00 6.33 C ATOM 1386 C LEU A 87 9.279 -4.993 29.688 1.00 6.80 C ATOM 1387 O LEU A 87 9.484 -3.782 29.730 1.00 6.97 O ATOM 1388 CB LEU A 87 9.962 -6.751 27.961 1.00 6.01 C ATOM 1389 CG LEU A 87 9.353 -7.909 27.129 1.00 5.75 C ATOM 1390 CD1 LEU A 87 8.778 -7.517 25.808 1.00 8.76 C ATOM 1391 CD2 LEU A 87 10.392 -9.049 26.949 1.00 5.57 C ATOM 1392 HA LEU A 87 7.971 -6.225 28.580 1.00 0.00 H ATOM 1393 HB2 LEU A 87 10.725 -6.254 27.362 1.00 0.00 H ATOM 1394 HB3 LEU A 87 10.420 -7.168 28.858 1.00 0.00 H ATOM 1395 HG LEU A 87 8.501 -8.256 27.713 1.00 0.00 H ATOM 1396 HD21 LEU A 87 11.269 -8.661 26.431 1.00 0.00 H ATOM 1397 HD22 LEU A 87 10.685 -9.429 27.927 1.00 0.00 H ATOM 1398 HD23 LEU A 87 9.948 -9.854 26.363 1.00 0.00 H ATOM 1399 HD11 LEU A 87 7.977 -6.794 25.962 1.00 0.00 H ATOM 1400 HD12 LEU A 87 9.558 -7.071 25.191 1.00 0.00 H ATOM 1401 HD13 LEU A 87 8.380 -8.401 25.310 1.00 0.00 H ATOM 1402 H LEU A 87 9.579 -4.475 26.742 1.00 0.00 H ATOM 1403 N LYS A 88 9.298 -5.748 30.783 1.00 7.07 N ATOM 1404 CA LYS A 88 9.467 -5.159 32.104 1.00 7.61 C ATOM 1405 C LYS A 88 10.763 -4.391 32.246 1.00 7.68 C ATOM 1406 O LYS A 88 10.807 -3.395 32.984 1.00 8.13 O ATOM 1407 CB LYS A 88 9.355 -6.225 33.205 1.00 11.05 C ATOM 1408 CG LYS A 88 7.935 -6.744 33.384 1.00 11.85 C ATOM 1409 CD LYS A 88 7.795 -7.561 34.655 1.00 12.86 C ATOM 1410 CE LYS A 88 8.963 -8.499 34.863 1.00 14.07 C ATOM 1411 NZ LYS A 88 8.750 -9.356 36.062 1.00 14.61 N ATOM 1412 HA LYS A 88 8.655 -4.441 32.222 1.00 0.00 H ATOM 1413 HB2 LYS A 88 10.002 -7.063 32.945 1.00 0.00 H ATOM 1414 HB3 LYS A 88 9.688 -5.789 34.147 1.00 0.00 H ATOM 1415 HG2 LYS A 88 7.251 -5.896 33.431 1.00 0.00 H ATOM 1416 HG3 LYS A 88 7.677 -7.370 32.530 1.00 0.00 H ATOM 1417 HD2 LYS A 88 7.735 -6.881 35.505 1.00 0.00 H ATOM 1418 HD3 LYS A 88 6.879 -8.149 34.596 1.00 0.00 H ATOM 1419 HE2 LYS A 88 9.872 -7.913 35.000 1.00 0.00 H ATOM 1420 HE3 LYS A 88 9.071 -9.135 33.984 1.00 0.00 H ATOM 1421 HZ1 LYS A 88 8.650 -8.754 36.904 1.00 0.00 H ATOM 1422 HZ2 LYS A 88 7.886 -9.921 35.934 1.00 0.00 H ATOM 1423 HZ3 LYS A 88 9.565 -9.990 36.183 1.00 0.00 H ATOM 1424 H LYS A 88 9.190 -6.779 30.694 1.00 0.00 H ATOM 1425 N ASP A 89 11.801 -4.844 31.551 1.00 7.30 N ATOM 1426 CA ASP A 89 13.081 -4.178 31.650 1.00 7.70 C ATOM 1427 C ASP A 89 13.162 -2.901 30.806 1.00 7.34 C ATOM 1428 O ASP A 89 14.155 -2.189 30.849 1.00 7.71 O ATOM 1429 CB ASP A 89 14.226 -5.162 31.340 1.00 8.29 C ATOM 1430 CG ASP A 89 14.363 -5.500 29.855 1.00 7.96 C ATOM 1431 OD1 ASP A 89 13.375 -5.392 29.105 1.00 7.11 O ATOM 1432 OD2 ASP A 89 15.470 -5.907 29.441 1.00 9.57 O ATOM 1433 HA ASP A 89 13.193 -3.844 32.681 1.00 0.00 H ATOM 1434 HB2 ASP A 89 15.162 -4.719 31.680 1.00 0.00 H ATOM 1435 HB3 ASP A 89 14.043 -6.086 31.888 1.00 0.00 H ATOM 1436 H ASP A 89 11.693 -5.676 30.937 1.00 0.00 H ATOM 1437 N GLY A 90 12.117 -2.617 30.032 1.00 7.13 N ATOM 1438 CA GLY A 90 12.051 -1.385 29.268 1.00 7.13 C ATOM 1439 C GLY A 90 12.448 -1.570 27.814 1.00 6.77 C ATOM 1440 O GLY A 90 12.285 -0.655 27.006 1.00 7.06 O ATOM 1441 HA3 GLY A 90 12.723 -0.657 29.723 1.00 0.00 H ATOM 1442 HA2 GLY A 90 11.029 -1.007 29.305 1.00 0.00 H ATOM 1443 H GLY A 90 11.330 -3.294 29.973 1.00 0.00 H ATOM 1444 N ARG A 91 12.970 -2.741 27.448 1.00 6.26 N ATOM 1445 CA ARG A 91 13.269 -2.973 26.048 1.00 5.82 C ATOM 1446 C ARG A 91 12.011 -3.196 25.232 1.00 6.62 C ATOM 1447 O ARG A 91 11.021 -3.737 25.720 1.00 6.09 O ATOM 1448 CB ARG A 91 14.210 -4.154 25.874 1.00 7.72 C ATOM 1449 CG ARG A 91 15.599 -3.837 26.332 1.00 10.54 C ATOM 1450 CD ARG A 91 16.536 -4.926 25.876 1.00 11.61 C ATOM 1451 NE ARG A 91 16.473 -6.075 26.767 1.00 10.86 N ATOM 1452 CZ ARG A 91 16.953 -7.275 26.465 1.00 11.76 C ATOM 1453 NH1 ARG A 91 16.867 -8.256 27.355 1.00 11.88 N ATOM 1454 NH2 ARG A 91 17.527 -7.482 25.288 1.00 13.62 N ATOM 1455 HA ARG A 91 13.760 -2.072 25.680 1.00 0.00 H ATOM 1456 HB2 ARG A 91 13.831 -4.995 26.455 1.00 0.00 H ATOM 1457 HB3 ARG A 91 14.241 -4.427 24.819 1.00 0.00 H ATOM 1458 HG2 ARG A 91 15.914 -2.884 25.907 1.00 0.00 H ATOM 1459 HG3 ARG A 91 15.618 -3.772 27.420 1.00 0.00 H ATOM 1460 HD2 ARG A 91 17.555 -4.539 25.865 1.00 0.00 H ATOM 1461 HD3 ARG A 91 16.257 -5.239 24.870 1.00 0.00 H ATOM 1462 HE ARG A 91 16.025 -5.948 27.697 1.00 0.00 H ATOM 1463 HH12 ARG A 91 17.240 -9.199 27.127 1.00 0.00 H ATOM 1464 HH11 ARG A 91 16.426 -8.081 28.281 1.00 0.00 H ATOM 1465 HH22 ARG A 91 17.903 -8.422 25.051 1.00 0.00 H ATOM 1466 HH21 ARG A 91 17.601 -6.704 24.602 1.00 0.00 H ATOM 1467 H ARG A 91 13.160 -3.478 28.157 1.00 0.00 H ATOM 1468 N ARG A 92 12.088 -2.800 23.969 1.00 8.32 N ATOM 1469 CA ARG A 92 10.960 -2.909 23.073 1.00 7.92 C ATOM 1470 C ARG A 92 11.177 -3.963 22.035 1.00 8.86 C ATOM 1471 O ARG A 92 12.321 -4.242 21.654 1.00 11.98 O ATOM 1472 CB ARG A 92 10.655 -1.558 22.473 1.00 12.02 C ATOM 1473 CG ARG A 92 9.942 -0.771 23.544 1.00 15.93 C ATOM 1474 CD ARG A 92 9.754 0.595 23.180 1.00 13.92 C ATOM 1475 NE ARG A 92 8.773 1.266 24.029 1.00 9.87 N ATOM 1476 CZ ARG A 92 8.489 2.555 23.905 1.00 8.84 C ATOM 1477 NH1 ARG A 92 9.109 3.271 22.970 1.00 10.93 N ATOM 1478 NH2 ARG A 92 7.596 3.126 24.662 1.00 7.22 N ATOM 1479 HA ARG A 92 10.087 -3.229 23.642 1.00 0.00 H ATOM 1480 HB2 ARG A 92 11.578 -1.055 22.186 1.00 0.00 H ATOM 1481 HB3 ARG A 92 10.016 -1.669 21.597 1.00 0.00 H ATOM 1482 HG2 ARG A 92 8.966 -1.224 23.721 1.00 0.00 H ATOM 1483 HG3 ARG A 92 10.532 -0.812 24.460 1.00 0.00 H ATOM 1484 HD2 ARG A 92 9.411 0.638 22.146 1.00 0.00 H ATOM 1485 HD3 ARG A 92 10.708 1.116 23.267 1.00 0.00 H ATOM 1486 HE ARG A 92 8.279 0.712 24.758 1.00 0.00 H ATOM 1487 HH12 ARG A 92 8.895 4.283 22.863 1.00 0.00 H ATOM 1488 HH11 ARG A 92 9.808 2.818 22.347 1.00 0.00 H ATOM 1489 HH22 ARG A 92 7.388 4.139 24.548 1.00 0.00 H ATOM 1490 HH21 ARG A 92 7.090 2.569 25.380 1.00 0.00 H ATOM 1491 H ARG A 92 12.981 -2.402 23.615 1.00 0.00 H ATOM 1492 N VAL A 93 10.078 -4.590 21.644 1.00 5.82 N ATOM 1493 CA VAL A 93 10.100 -5.667 20.685 1.00 4.93 C ATOM 1494 C VAL A 93 9.055 -5.333 19.643 1.00 5.99 C ATOM 1495 O VAL A 93 7.904 -5.037 19.958 1.00 5.92 O ATOM 1496 CB VAL A 93 9.742 -7.008 21.316 1.00 7.13 C ATOM 1497 CG1 VAL A 93 9.783 -8.119 20.262 1.00 9.32 C ATOM 1498 CG2 VAL A 93 10.681 -7.330 22.432 1.00 8.41 C ATOM 1499 HA VAL A 93 11.103 -5.761 20.269 1.00 0.00 H ATOM 1500 HB VAL A 93 8.731 -6.938 21.719 1.00 0.00 H ATOM 1501 HG11 VAL A 93 9.067 -7.895 19.471 1.00 0.00 H ATOM 1502 HG12 VAL A 93 10.786 -8.180 19.839 1.00 0.00 H ATOM 1503 HG13 VAL A 93 9.525 -9.070 20.728 1.00 0.00 H ATOM 1504 HG21 VAL A 93 11.699 -7.381 22.045 1.00 0.00 H ATOM 1505 HG22 VAL A 93 10.619 -6.552 23.193 1.00 0.00 H ATOM 1506 HG23 VAL A 93 10.408 -8.291 22.869 1.00 0.00 H ATOM 1507 H VAL A 93 9.164 -4.295 22.044 1.00 0.00 H ATOM 1508 N VAL A 94 9.473 -5.384 18.392 1.00 5.48 N ATOM 1509 CA VAL A 94 8.583 -5.079 17.282 1.00 4.97 C ATOM 1510 C VAL A 94 8.058 -6.408 16.800 1.00 5.28 C ATOM 1511 O VAL A 94 8.829 -7.234 16.314 1.00 7.36 O ATOM 1512 CB VAL A 94 9.337 -4.378 16.145 1.00 5.54 C ATOM 1513 CG1 VAL A 94 8.373 -4.033 14.986 1.00 6.63 C ATOM 1514 CG2 VAL A 94 10.053 -3.127 16.669 1.00 7.18 C ATOM 1515 HA VAL A 94 7.784 -4.408 17.597 1.00 0.00 H ATOM 1516 HB VAL A 94 10.095 -5.058 15.755 1.00 0.00 H ATOM 1517 HG11 VAL A 94 7.926 -4.950 14.602 1.00 0.00 H ATOM 1518 HG12 VAL A 94 7.589 -3.370 15.352 1.00 0.00 H ATOM 1519 HG13 VAL A 94 8.927 -3.536 14.190 1.00 0.00 H ATOM 1520 HG21 VAL A 94 9.319 -2.438 17.086 1.00 0.00 H ATOM 1521 HG22 VAL A 94 10.765 -3.415 17.443 1.00 0.00 H ATOM 1522 HG23 VAL A 94 10.583 -2.643 15.849 1.00 0.00 H ATOM 1523 H VAL A 94 10.460 -5.648 18.195 1.00 0.00 H ATOM 1524 N ILE A 95 6.770 -6.658 17.019 1.00 4.56 N ATOM 1525 CA ILE A 95 6.172 -7.917 16.613 1.00 4.95 C ATOM 1526 C ILE A 95 5.533 -7.791 15.252 1.00 4.97 C ATOM 1527 O ILE A 95 4.631 -6.966 15.015 1.00 4.36 O ATOM 1528 CB ILE A 95 5.175 -8.401 17.652 1.00 6.26 C ATOM 1529 CG1 ILE A 95 5.863 -8.465 19.039 1.00 8.77 C ATOM 1530 CG2 ILE A 95 4.587 -9.772 17.241 1.00 8.10 C ATOM 1531 CD1 ILE A 95 4.969 -8.863 20.149 1.00 12.58 C ATOM 1532 HA ILE A 95 6.962 -8.665 16.540 1.00 0.00 H ATOM 1533 HB ILE A 95 4.344 -7.699 17.715 1.00 0.00 H ATOM 1534 HG12 ILE A 95 6.678 -9.187 18.982 1.00 0.00 H ATOM 1535 HG13 ILE A 95 6.268 -7.478 19.264 1.00 0.00 H ATOM 1536 HD11 ILE A 95 4.153 -8.145 20.232 1.00 0.00 H ATOM 1537 HD12 ILE A 95 4.563 -9.855 19.949 1.00 0.00 H ATOM 1538 HD13 ILE A 95 5.535 -8.881 21.081 1.00 0.00 H ATOM 1539 HG21 ILE A 95 4.080 -9.675 16.281 1.00 0.00 H ATOM 1540 HG22 ILE A 95 5.393 -10.501 17.156 1.00 0.00 H ATOM 1541 HG23 ILE A 95 3.875 -10.102 17.998 1.00 0.00 H ATOM 1542 H ILE A 95 6.182 -5.940 17.489 1.00 0.00 H ATOM 1543 N LEU A 96 6.051 -8.585 14.317 1.00 4.98 N ATOM 1544 CA LEU A 96 5.557 -8.602 12.944 1.00 4.93 C ATOM 1545 C LEU A 96 4.319 -9.497 12.866 1.00 5.55 C ATOM 1546 O LEU A 96 4.369 -10.685 13.174 1.00 5.67 O ATOM 1547 CB LEU A 96 6.689 -9.121 12.049 1.00 4.23 C ATOM 1548 CG LEU A 96 8.008 -8.340 12.114 1.00 5.15 C ATOM 1549 CD1 LEU A 96 9.029 -9.013 11.195 1.00 6.75 C ATOM 1550 CD2 LEU A 96 7.826 -6.852 11.759 1.00 7.09 C ATOM 1551 HA LEU A 96 5.265 -7.606 12.610 1.00 0.00 H ATOM 1552 HB2 LEU A 96 6.897 -10.152 12.337 1.00 0.00 H ATOM 1553 HB3 LEU A 96 6.337 -9.097 11.018 1.00 0.00 H ATOM 1554 HG LEU A 96 8.373 -8.360 13.141 1.00 0.00 H ATOM 1555 HD21 LEU A 96 7.433 -6.767 10.746 1.00 0.00 H ATOM 1556 HD22 LEU A 96 7.128 -6.395 12.461 1.00 0.00 H ATOM 1557 HD23 LEU A 96 8.789 -6.345 11.820 1.00 0.00 H ATOM 1558 HD11 LEU A 96 9.191 -10.039 11.524 1.00 0.00 H ATOM 1559 HD12 LEU A 96 8.651 -9.014 10.173 1.00 0.00 H ATOM 1560 HD13 LEU A 96 9.970 -8.464 11.235 1.00 0.00 H ATOM 1561 H LEU A 96 6.836 -9.216 14.575 1.00 0.00 H ATOM 1562 N MET A 97 3.188 -8.902 12.511 1.00 4.57 N ATOM 1563 CA MET A 97 1.909 -9.606 12.515 1.00 5.09 C ATOM 1564 C MET A 97 1.514 -10.083 11.119 1.00 5.04 C ATOM 1565 O MET A 97 0.924 -11.152 10.962 1.00 6.21 O ATOM 1566 CB MET A 97 0.768 -8.725 13.058 1.00 7.44 C ATOM 1567 CG MET A 97 0.964 -8.093 14.438 1.00 8.94 C ATOM 1568 SD MET A 97 1.355 -9.235 15.757 1.00 9.51 S ATOM 1569 CE MET A 97 -0.083 -10.268 15.743 1.00 15.08 C ATOM 1570 HA MET A 97 2.052 -10.466 13.169 1.00 0.00 H ATOM 1571 HB2 MET A 97 0.613 -7.915 12.346 1.00 0.00 H ATOM 1572 HB3 MET A 97 -0.129 -9.343 13.105 1.00 0.00 H ATOM 1573 HG2 MET A 97 0.043 -7.574 14.704 1.00 0.00 H ATOM 1574 HG3 MET A 97 1.778 -7.372 14.365 1.00 0.00 H ATOM 1575 HE1 MET A 97 -0.967 -9.661 15.939 1.00 0.00 H ATOM 1576 HE2 MET A 97 -0.177 -10.744 14.767 1.00 0.00 H ATOM 1577 HE3 MET A 97 0.013 -11.032 16.514 1.00 0.00 H ATOM 1578 H MET A 97 3.213 -7.904 12.221 1.00 0.00 H ATOM 1579 N GLU A 98 1.824 -9.274 10.106 1.00 4.92 N ATOM 1580 CA GLU A 98 1.569 -9.636 8.712 1.00 5.06 C ATOM 1581 C GLU A 98 2.753 -9.148 7.927 1.00 5.06 C ATOM 1582 O GLU A 98 3.184 -7.990 8.061 1.00 5.19 O ATOM 1583 CB GLU A 98 0.299 -8.983 8.159 1.00 7.40 C ATOM 1584 CG GLU A 98 -0.985 -9.471 8.782 1.00 9.26 C ATOM 1585 CD GLU A 98 -2.193 -8.833 8.109 1.00 15.42 C ATOM 1586 OE1 GLU A 98 -2.083 -7.661 7.683 1.00 17.75 O ATOM 1587 OE2 GLU A 98 -3.222 -9.525 7.958 1.00 16.53 O ATOM 1588 HA GLU A 98 1.425 -10.714 8.637 1.00 0.00 H ATOM 1589 HB2 GLU A 98 0.370 -7.908 8.325 1.00 0.00 H ATOM 1590 HB3 GLU A 98 0.254 -9.182 7.088 1.00 0.00 H ATOM 1591 HG2 GLU A 98 -1.046 -10.554 8.673 1.00 0.00 H ATOM 1592 HG3 GLU A 98 -0.989 -9.213 9.841 1.00 0.00 H ATOM 1593 H GLU A 98 2.262 -8.354 10.314 1.00 0.00 H ATOM 1594 N LEU A 99 3.277 -10.026 7.079 1.00 6.25 N ATOM 1595 CA LEU A 99 4.333 -9.614 6.184 1.00 8.46 C ATOM 1596 C LEU A 99 4.270 -10.399 4.905 1.00 9.25 C ATOM 1597 O LEU A 99 3.730 -11.501 4.840 1.00 10.08 O ATOM 1598 CB LEU A 99 5.688 -9.703 6.835 1.00 14.13 C ATOM 1599 CG LEU A 99 6.282 -11.080 7.030 1.00 13.98 C ATOM 1600 CD1 LEU A 99 6.858 -11.679 5.723 1.00 13.27 C ATOM 1601 CD2 LEU A 99 7.383 -11.030 8.085 1.00 15.83 C ATOM 1602 HA LEU A 99 4.179 -8.563 5.941 1.00 0.00 H ATOM 1603 HB2 LEU A 99 6.384 -9.132 6.220 1.00 0.00 H ATOM 1604 HB3 LEU A 99 5.609 -9.239 7.818 1.00 0.00 H ATOM 1605 HG LEU A 99 5.468 -11.727 7.357 1.00 0.00 H ATOM 1606 HD21 LEU A 99 8.165 -10.344 7.760 1.00 0.00 H ATOM 1607 HD22 LEU A 99 6.964 -10.683 9.029 1.00 0.00 H ATOM 1608 HD23 LEU A 99 7.803 -12.027 8.217 1.00 0.00 H ATOM 1609 HD11 LEU A 99 6.063 -11.762 4.982 1.00 0.00 H ATOM 1610 HD12 LEU A 99 7.645 -11.028 5.343 1.00 0.00 H ATOM 1611 HD13 LEU A 99 7.269 -12.667 5.928 1.00 0.00 H ATOM 1612 H LEU A 99 2.928 -11.006 7.060 1.00 0.00 H ATOM 1613 N GLU A 100 4.803 -9.756 3.879 1.00 6.35 N ATOM 1614 CA GLU A 100 4.848 -10.302 2.535 1.00 5.72 C ATOM 1615 C GLU A 100 6.285 -10.387 2.070 1.00 5.84 C ATOM 1616 O GLU A 100 7.041 -9.415 2.171 1.00 7.64 O ATOM 1617 CB GLU A 100 4.077 -9.405 1.586 1.00 7.47 C ATOM 1618 CG GLU A 100 4.268 -9.721 0.142 1.00 9.14 C ATOM 1619 CD GLU A 100 3.557 -8.721 -0.759 1.00 10.38 C ATOM 1620 OE1 GLU A 100 3.690 -8.845 -2.005 1.00 11.75 O ATOM 1621 OE2 GLU A 100 2.875 -7.821 -0.215 1.00 10.86 O ATOM 1622 HA GLU A 100 4.400 -11.296 2.543 1.00 0.00 H ATOM 1623 HB2 GLU A 100 3.016 -9.497 1.817 1.00 0.00 H ATOM 1624 HB3 GLU A 100 4.396 -8.377 1.755 1.00 0.00 H ATOM 1625 HG2 GLU A 100 5.334 -9.703 -0.084 1.00 0.00 H ATOM 1626 HG3 GLU A 100 3.872 -10.717 -0.056 1.00 0.00 H ATOM 1627 H GLU A 100 5.210 -8.813 4.044 1.00 0.00 H ATOM 1628 N VAL A 101 6.692 -11.530 1.557 1.00 6.10 N ATOM 1629 CA VAL A 101 8.031 -11.620 0.991 1.00 6.51 C ATOM 1630 C VAL A 101 7.940 -11.087 -0.452 1.00 7.22 C ATOM 1631 O VAL A 101 7.248 -11.661 -1.299 1.00 9.66 O ATOM 1632 CB VAL A 101 8.537 -13.065 1.019 1.00 6.67 C ATOM 1633 CG1 VAL A 101 9.899 -13.176 0.300 1.00 9.18 C ATOM 1634 CG2 VAL A 101 8.605 -13.591 2.450 1.00 9.19 C ATOM 1635 HA VAL A 101 8.742 -11.032 1.572 1.00 0.00 H ATOM 1636 HB VAL A 101 7.828 -13.692 0.479 1.00 0.00 H ATOM 1637 HG11 VAL A 101 9.788 -12.859 -0.737 1.00 0.00 H ATOM 1638 HG12 VAL A 101 10.626 -12.536 0.801 1.00 0.00 H ATOM 1639 HG13 VAL A 101 10.241 -14.210 0.331 1.00 0.00 H ATOM 1640 HG21 VAL A 101 9.285 -12.970 3.032 1.00 0.00 H ATOM 1641 HG22 VAL A 101 7.611 -13.559 2.895 1.00 0.00 H ATOM 1642 HG23 VAL A 101 8.967 -14.619 2.441 1.00 0.00 H ATOM 1643 H VAL A 101 6.064 -12.359 1.556 1.00 0.00 H ATOM 1644 N LEU A 102 8.607 -9.963 -0.711 1.00 5.05 N ATOM 1645 CA LEU A 102 8.655 -9.367 -2.044 1.00 5.27 C ATOM 1646 C LEU A 102 9.722 -10.021 -2.926 1.00 6.35 C ATOM 1647 O LEU A 102 9.534 -10.202 -4.137 1.00 8.96 O ATOM 1648 CB LEU A 102 8.964 -7.872 -1.958 1.00 5.77 C ATOM 1649 CG LEU A 102 7.926 -7.057 -1.177 1.00 6.41 C ATOM 1650 CD1 LEU A 102 8.309 -5.583 -1.203 1.00 6.60 C ATOM 1651 CD2 LEU A 102 6.558 -7.255 -1.789 1.00 10.18 C ATOM 1652 HA LEU A 102 7.673 -9.529 -2.489 1.00 0.00 H ATOM 1653 HB2 LEU A 102 9.931 -7.751 -1.470 1.00 0.00 H ATOM 1654 HB3 LEU A 102 9.017 -7.475 -2.972 1.00 0.00 H ATOM 1655 HG LEU A 102 7.900 -7.396 -0.142 1.00 0.00 H ATOM 1656 HD21 LEU A 102 6.574 -6.922 -2.827 1.00 0.00 H ATOM 1657 HD22 LEU A 102 6.293 -8.312 -1.749 1.00 0.00 H ATOM 1658 HD23 LEU A 102 5.824 -6.674 -1.231 1.00 0.00 H ATOM 1659 HD11 LEU A 102 9.290 -5.456 -0.745 1.00 0.00 H ATOM 1660 HD12 LEU A 102 8.341 -5.235 -2.236 1.00 0.00 H ATOM 1661 HD13 LEU A 102 7.569 -5.007 -0.647 1.00 0.00 H ATOM 1662 H LEU A 102 9.113 -9.492 0.066 1.00 0.00 H ATOM 1663 N LYS A 103 10.853 -10.341 -2.304 1.00 5.41 N ATOM 1664 CA LYS A 103 11.932 -11.017 -3.012 1.00 6.84 C ATOM 1665 C LYS A 103 12.523 -12.099 -2.123 1.00 6.69 C ATOM 1666 O LYS A 103 12.859 -11.823 -0.979 1.00 6.43 O ATOM 1667 CB LYS A 103 13.012 -10.023 -3.430 1.00 10.35 C ATOM 1668 CG LYS A 103 12.574 -9.098 -4.544 1.00 15.34 C ATOM 1669 CD LYS A 103 13.754 -8.320 -5.120 1.00 18.53 C ATOM 1670 CE LYS A 103 13.501 -7.918 -6.565 1.00 20.78 C ATOM 1671 NZ LYS A 103 14.678 -7.212 -7.147 1.00 19.15 N ATOM 1672 HA LYS A 103 11.529 -11.474 -3.915 1.00 0.00 H ATOM 1673 HB2 LYS A 103 13.281 -9.419 -2.564 1.00 0.00 H ATOM 1674 HB3 LYS A 103 13.885 -10.582 -3.767 1.00 0.00 H ATOM 1675 HG2 LYS A 103 12.118 -9.690 -5.338 1.00 0.00 H ATOM 1676 HG3 LYS A 103 11.841 -8.392 -4.152 1.00 0.00 H ATOM 1677 HD2 LYS A 103 13.912 -7.421 -4.524 1.00 0.00 H ATOM 1678 HD3 LYS A 103 14.646 -8.945 -5.076 1.00 0.00 H ATOM 1679 HE2 LYS A 103 12.636 -7.256 -6.603 1.00 0.00 H ATOM 1680 HE3 LYS A 103 13.298 -8.814 -7.152 1.00 0.00 H ATOM 1681 HZ1 LYS A 103 14.874 -6.353 -6.594 1.00 0.00 H ATOM 1682 HZ2 LYS A 103 15.506 -7.840 -7.119 1.00 0.00 H ATOM 1683 HZ3 LYS A 103 14.472 -6.952 -8.133 1.00 0.00 H ATOM 1684 H LYS A 103 10.969 -10.105 -1.298 1.00 0.00 H ATOM 1685 N SER A 104 12.626 -13.325 -2.648 1.00 8.48 N ATOM 1686 CA SER A 104 13.198 -14.421 -1.894 1.00 7.79 C ATOM 1687 C SER A 104 14.670 -14.174 -1.601 1.00 7.20 C ATOM 1688 O SER A 104 15.338 -13.397 -2.270 1.00 7.67 O ATOM 1689 CB SER A 104 13.107 -15.696 -2.703 1.00 9.33 C ATOM 1690 OG SER A 104 13.950 -15.607 -3.817 1.00 11.63 O ATOM 1691 HA SER A 104 12.643 -14.504 -0.960 1.00 0.00 H ATOM 1692 HB2 SER A 104 12.079 -15.842 -3.036 1.00 0.00 H ATOM 1693 HB3 SER A 104 13.411 -16.541 -2.085 1.00 0.00 H ATOM 1694 HG SER A 104 13.888 -16.443 -4.344 1.00 0.00 H ATOM 1695 H SER A 104 12.289 -13.494 -3.617 1.00 0.00 H ATOM 1696 N ALA A 105 15.173 -14.864 -0.596 1.00 7.32 N ATOM 1697 CA ALA A 105 16.582 -14.790 -0.262 1.00 6.61 C ATOM 1698 C ALA A 105 17.422 -15.068 -1.484 1.00 8.39 C ATOM 1699 O ALA A 105 18.418 -14.412 -1.714 1.00 8.73 O ATOM 1700 CB ALA A 105 16.899 -15.790 0.829 1.00 7.35 C ATOM 1701 HA ALA A 105 16.812 -13.786 0.096 1.00 0.00 H ATOM 1702 HB1 ALA A 105 16.304 -15.562 1.713 1.00 0.00 H ATOM 1703 HB2 ALA A 105 16.662 -16.795 0.479 1.00 0.00 H ATOM 1704 HB3 ALA A 105 17.959 -15.731 1.077 1.00 0.00 H ATOM 1705 H ALA A 105 14.547 -15.473 -0.032 1.00 0.00 H ATOM 1706 N GLU A 106 17.008 -16.051 -2.276 1.00 8.27 N ATOM 1707 CA GLU A 106 17.816 -16.505 -3.392 1.00 11.27 C ATOM 1708 C GLU A 106 17.830 -15.477 -4.516 1.00 10.54 C ATOM 1709 O GLU A 106 18.789 -15.407 -5.298 1.00 13.43 O ATOM 1710 CB GLU A 106 17.293 -17.854 -3.909 1.00 13.63 C ATOM 1711 CG GLU A 106 17.444 -18.985 -2.883 1.00 13.83 C ATOM 1712 CD GLU A 106 16.392 -18.983 -1.782 1.00 17.79 C ATOM 1713 OE1 GLU A 106 15.335 -18.355 -1.967 1.00 17.46 O ATOM 1714 OE2 GLU A 106 16.634 -19.604 -0.715 1.00 20.12 O ATOM 1715 HA GLU A 106 18.840 -16.632 -3.040 1.00 0.00 H ATOM 1716 HB2 GLU A 106 16.237 -17.747 -4.156 1.00 0.00 H ATOM 1717 HB3 GLU A 106 17.849 -18.122 -4.807 1.00 0.00 H ATOM 1718 HG2 GLU A 106 17.382 -19.936 -3.412 1.00 0.00 H ATOM 1719 HG3 GLU A 106 18.425 -18.894 -2.417 1.00 0.00 H ATOM 1720 H GLU A 106 16.089 -16.503 -2.093 1.00 0.00 H ATOM 1721 N ALA A 107 16.777 -14.665 -4.591 1.00 9.70 N ATOM 1722 CA ALA A 107 16.677 -13.607 -5.595 1.00 10.59 C ATOM 1723 C ALA A 107 17.398 -12.332 -5.211 1.00 11.28 C ATOM 1724 O ALA A 107 17.536 -11.438 -6.045 1.00 15.33 O ATOM 1725 CB ALA A 107 15.210 -13.283 -5.887 1.00 9.39 C ATOM 1726 HA ALA A 107 17.169 -13.999 -6.485 1.00 0.00 H ATOM 1727 HB1 ALA A 107 14.710 -14.176 -6.261 1.00 0.00 H ATOM 1728 HB2 ALA A 107 14.723 -12.950 -4.970 1.00 0.00 H ATOM 1729 HB3 ALA A 107 15.156 -12.493 -6.636 1.00 0.00 H ATOM 1730 H ALA A 107 15.999 -14.788 -3.912 1.00 0.00 H ATOM 1731 N VAL A 108 17.786 -12.198 -3.942 1.00 7.33 N ATOM 1732 CA VAL A 108 18.502 -11.021 -3.473 1.00 7.04 C ATOM 1733 C VAL A 108 19.989 -11.390 -3.237 1.00 6.16 C ATOM 1734 O VAL A 108 20.886 -10.795 -3.847 1.00 10.66 O ATOM 1735 CB VAL A 108 17.847 -10.457 -2.178 1.00 8.45 C ATOM 1736 CG1 VAL A 108 18.554 -9.205 -1.724 1.00 8.36 C ATOM 1737 CG2 VAL A 108 16.342 -10.150 -2.418 1.00 9.46 C ATOM 1738 HA VAL A 108 18.449 -10.238 -4.230 1.00 0.00 H ATOM 1739 HB VAL A 108 17.936 -11.214 -1.399 1.00 0.00 H ATOM 1740 HG11 VAL A 108 19.600 -9.434 -1.519 1.00 0.00 H ATOM 1741 HG12 VAL A 108 18.493 -8.450 -2.508 1.00 0.00 H ATOM 1742 HG13 VAL A 108 18.079 -8.829 -0.818 1.00 0.00 H ATOM 1743 HG21 VAL A 108 16.246 -9.412 -3.214 1.00 0.00 H ATOM 1744 HG22 VAL A 108 15.827 -11.067 -2.706 1.00 0.00 H ATOM 1745 HG23 VAL A 108 15.902 -9.757 -1.502 1.00 0.00 H ATOM 1746 H VAL A 108 17.570 -12.959 -3.266 1.00 0.00 H ATOM 1747 N GLY A 109 20.245 -12.331 -2.335 1.00 7.18 N ATOM 1748 CA GLY A 109 21.538 -12.996 -2.259 1.00 8.30 C ATOM 1749 C GLY A 109 22.585 -12.321 -1.403 1.00 8.04 C ATOM 1750 O GLY A 109 23.623 -12.911 -1.115 1.00 9.22 O ATOM 1751 HA3 GLY A 109 21.934 -13.071 -3.272 1.00 0.00 H ATOM 1752 HA2 GLY A 109 21.375 -13.997 -1.859 1.00 0.00 H ATOM 1753 H GLY A 109 19.499 -12.601 -1.663 1.00 0.00 H ATOM 1754 N VAL A 110 22.337 -11.086 -0.988 1.00 8.37 N ATOM 1755 CA VAL A 110 23.348 -10.315 -0.267 1.00 10.42 C ATOM 1756 C VAL A 110 22.673 -9.369 0.702 1.00 8.20 C ATOM 1757 O VAL A 110 21.516 -9.017 0.507 1.00 6.82 O ATOM 1758 CB VAL A 110 24.182 -9.483 -1.257 1.00 9.47 C ATOM 1759 CG1 VAL A 110 24.891 -10.400 -2.243 1.00 12.79 C ATOM 1760 CG2 VAL A 110 23.287 -8.471 -1.994 1.00 9.60 C ATOM 1761 HA VAL A 110 23.995 -11.008 0.272 1.00 0.00 H ATOM 1762 HB VAL A 110 24.937 -8.926 -0.702 1.00 0.00 H ATOM 1763 HG11 VAL A 110 25.550 -11.076 -1.699 1.00 0.00 H ATOM 1764 HG12 VAL A 110 24.151 -10.979 -2.796 1.00 0.00 H ATOM 1765 HG13 VAL A 110 25.478 -9.800 -2.938 1.00 0.00 H ATOM 1766 HG21 VAL A 110 22.512 -9.006 -2.543 1.00 0.00 H ATOM 1767 HG22 VAL A 110 22.824 -7.802 -1.269 1.00 0.00 H ATOM 1768 HG23 VAL A 110 23.893 -7.891 -2.690 1.00 0.00 H ATOM 1769 H VAL A 110 21.408 -10.659 -1.179 1.00 0.00 H ATOM 1770 N LYS A 111 23.384 -8.983 1.759 1.00 8.43 N ATOM 1771 CA LYS A 111 22.955 -7.891 2.630 1.00 7.18 C ATOM 1772 C LYS A 111 23.066 -6.579 1.869 1.00 5.85 C ATOM 1773 O LYS A 111 24.157 -6.171 1.460 1.00 9.06 O ATOM 1774 CB LYS A 111 23.827 -7.831 3.896 1.00 9.53 C ATOM 1775 CG LYS A 111 23.533 -6.596 4.769 1.00 11.96 C ATOM 1776 CD LYS A 111 24.100 -6.690 6.195 1.00 16.45 C ATOM 1777 CE LYS A 111 25.591 -6.682 6.217 1.00 19.63 C ATOM 1778 NZ LYS A 111 26.078 -6.710 7.639 1.00 22.40 N ATOM 1779 HA LYS A 111 21.922 -8.062 2.933 1.00 0.00 H ATOM 1780 HB2 LYS A 111 23.643 -8.727 4.488 1.00 0.00 H ATOM 1781 HB3 LYS A 111 24.875 -7.804 3.596 1.00 0.00 H ATOM 1782 HG2 LYS A 111 23.967 -5.722 4.284 1.00 0.00 H ATOM 1783 HG3 LYS A 111 22.452 -6.473 4.837 1.00 0.00 H ATOM 1784 HD2 LYS A 111 23.737 -5.840 6.773 1.00 0.00 H ATOM 1785 HD3 LYS A 111 23.748 -7.615 6.651 1.00 0.00 H ATOM 1786 HE2 LYS A 111 25.956 -5.780 5.727 1.00 0.00 H ATOM 1787 HE3 LYS A 111 25.966 -7.558 5.688 1.00 0.00 H ATOM 1788 HZ1 LYS A 111 25.721 -5.873 8.143 1.00 0.00 H ATOM 1789 HZ2 LYS A 111 25.731 -7.572 8.106 1.00 0.00 H ATOM 1790 HZ3 LYS A 111 27.118 -6.704 7.648 1.00 0.00 H ATOM 1791 H LYS A 111 24.275 -9.475 1.972 1.00 0.00 H ATOM 1792 N ILE A 112 21.938 -5.915 1.674 1.00 5.28 N ATOM 1793 CA ILE A 112 21.888 -4.675 0.909 1.00 6.22 C ATOM 1794 C ILE A 112 22.472 -3.524 1.703 1.00 6.46 C ATOM 1795 O ILE A 112 22.165 -3.352 2.891 1.00 6.30 O ATOM 1796 CB ILE A 112 20.421 -4.380 0.568 1.00 6.60 C ATOM 1797 CG1 ILE A 112 19.874 -5.444 -0.410 1.00 6.26 C ATOM 1798 CG2 ILE A 112 20.246 -2.974 0.007 1.00 6.96 C ATOM 1799 CD1 ILE A 112 18.342 -5.425 -0.549 1.00 6.84 C ATOM 1800 HA ILE A 112 22.478 -4.786 -0.001 1.00 0.00 H ATOM 1801 HB ILE A 112 19.844 -4.430 1.491 1.00 0.00 H ATOM 1802 HG12 ILE A 112 20.311 -5.266 -1.392 1.00 0.00 H ATOM 1803 HG13 ILE A 112 20.175 -6.428 -0.052 1.00 0.00 H ATOM 1804 HD11 ILE A 112 17.888 -5.613 0.424 1.00 0.00 H ATOM 1805 HD12 ILE A 112 18.024 -4.450 -0.918 1.00 0.00 H ATOM 1806 HD13 ILE A 112 18.033 -6.199 -1.251 1.00 0.00 H ATOM 1807 HG21 ILE A 112 20.581 -2.245 0.745 1.00 0.00 H ATOM 1808 HG22 ILE A 112 20.838 -2.871 -0.902 1.00 0.00 H ATOM 1809 HG23 ILE A 112 19.194 -2.804 -0.222 1.00 0.00 H ATOM 1810 H ILE A 112 21.057 -6.291 2.080 1.00 0.00 H ATOM 1811 N GLY A 113 23.294 -2.719 1.036 1.00 6.97 N ATOM 1812 CA GLY A 113 23.890 -1.560 1.670 1.00 8.21 C ATOM 1813 C GLY A 113 24.833 -1.922 2.795 1.00 8.34 C ATOM 1814 O GLY A 113 25.423 -3.016 2.812 1.00 9.38 O ATOM 1815 HA3 GLY A 113 23.093 -0.935 2.072 1.00 0.00 H ATOM 1816 HA2 GLY A 113 24.445 -0.999 0.918 1.00 0.00 H ATOM 1817 H GLY A 113 23.513 -2.925 0.040 1.00 0.00 H ATOM 1818 N ASN A 114 24.994 -0.978 3.719 1.00 9.21 N ATOM 1819 CA ASN A 114 25.942 -1.104 4.808 1.00 10.63 C ATOM 1820 C ASN A 114 25.266 -0.615 6.078 1.00 10.53 C ATOM 1821 O ASN A 114 25.687 0.382 6.677 1.00 12.20 O ATOM 1822 CB ASN A 114 27.188 -0.260 4.523 1.00 13.87 C ATOM 1823 CG ASN A 114 28.331 -0.534 5.487 1.00 16.18 C ATOM 1824 OD1 ASN A 114 28.377 -1.572 6.141 1.00 17.50 O ATOM 1825 ND2 ASN A 114 29.265 0.406 5.570 1.00 17.93 N ATOM 1826 HA ASN A 114 26.251 -2.143 4.918 1.00 0.00 H ATOM 1827 HB2 ASN A 114 27.529 -0.476 3.511 1.00 0.00 H ATOM 1828 HB3 ASN A 114 26.917 0.793 4.597 1.00 0.00 H ATOM 1829 HD22 ASN A 114 29.185 1.270 4.997 1.00 0.00 H ATOM 1830 HD21 ASN A 114 30.076 0.278 6.208 1.00 0.00 H ATOM 1831 H ASN A 114 24.416 -0.115 3.657 1.00 0.00 H ATOM 1832 N PRO A 115 24.201 -1.299 6.473 1.00 7.21 N ATOM 1833 CA PRO A 115 23.457 -0.829 7.638 1.00 6.99 C ATOM 1834 C PRO A 115 24.226 -1.010 8.935 1.00 9.06 C ATOM 1835 O PRO A 115 25.003 -1.950 9.080 1.00 11.72 O ATOM 1836 CB PRO A 115 22.206 -1.703 7.613 1.00 7.09 C ATOM 1837 CG PRO A 115 22.682 -3.010 7.013 1.00 6.22 C ATOM 1838 CD PRO A 115 23.656 -2.565 5.944 1.00 7.69 C ATOM 1839 HA PRO A 115 23.250 0.240 7.596 1.00 0.00 H ATOM 1840 HD3 PRO A 115 24.447 -3.302 5.807 1.00 0.00 H ATOM 1841 HD2 PRO A 115 23.145 -2.402 4.995 1.00 0.00 H ATOM 1842 HG3 PRO A 115 21.852 -3.566 6.578 1.00 0.00 H ATOM 1843 HG2 PRO A 115 23.178 -3.627 7.762 1.00 0.00 H ATOM 1844 HB2 PRO A 115 21.821 -1.857 8.621 1.00 0.00 H ATOM 1845 HB3 PRO A 115 21.431 -1.252 6.994 1.00 0.00 H ATOM 1846 N VAL A 116 24.000 -0.096 9.885 1.00 6.39 N ATOM 1847 CA VAL A 116 24.650 -0.181 11.189 1.00 6.97 C ATOM 1848 C VAL A 116 23.619 -0.319 12.289 1.00 5.36 C ATOM 1849 O VAL A 116 22.466 0.057 12.121 1.00 6.06 O ATOM 1850 CB VAL A 116 25.526 1.041 11.474 1.00 8.38 C ATOM 1851 CG1 VAL A 116 26.679 1.117 10.478 1.00 9.92 C ATOM 1852 CG2 VAL A 116 24.689 2.344 11.446 1.00 10.42 C ATOM 1853 HA VAL A 116 25.289 -1.064 11.167 1.00 0.00 H ATOM 1854 HB VAL A 116 25.943 0.933 12.475 1.00 0.00 H ATOM 1855 HG11 VAL A 116 27.289 0.217 10.560 1.00 0.00 H ATOM 1856 HG12 VAL A 116 26.279 1.195 9.467 1.00 0.00 H ATOM 1857 HG13 VAL A 116 27.290 1.993 10.698 1.00 0.00 H ATOM 1858 HG21 VAL A 116 24.234 2.461 10.462 1.00 0.00 H ATOM 1859 HG22 VAL A 116 23.908 2.289 12.204 1.00 0.00 H ATOM 1860 HG23 VAL A 116 25.338 3.195 11.652 1.00 0.00 H ATOM 1861 H VAL A 116 23.348 0.691 9.691 1.00 0.00 H ATOM 1862 N PRO A 117 24.020 -0.884 13.430 1.00 7.08 N ATOM 1863 CA PRO A 117 23.032 -1.130 14.479 1.00 8.03 C ATOM 1864 C PRO A 117 22.364 0.132 14.971 1.00 8.76 C ATOM 1865 O PRO A 117 23.032 1.156 15.190 1.00 12.13 O ATOM 1866 CB PRO A 117 23.870 -1.746 15.607 1.00 10.58 C ATOM 1867 CG PRO A 117 24.991 -2.376 14.924 1.00 8.77 C ATOM 1868 CD PRO A 117 25.332 -1.461 13.762 1.00 8.77 C ATOM 1869 HA PRO A 117 22.217 -1.759 14.120 1.00 0.00 H ATOM 1870 HD3 PRO A 117 26.040 -0.688 14.061 1.00 0.00 H ATOM 1871 HD2 PRO A 117 25.742 -2.023 12.922 1.00 0.00 H ATOM 1872 HG3 PRO A 117 24.708 -3.364 14.560 1.00 0.00 H ATOM 1873 HG2 PRO A 117 25.843 -2.469 15.598 1.00 0.00 H ATOM 1874 HB2 PRO A 117 24.220 -0.975 16.293 1.00 0.00 H ATOM 1875 HB3 PRO A 117 23.290 -2.485 16.159 1.00 0.00 H ATOM 1876 N TYR A 118 21.052 0.046 15.162 1.00 8.70 N ATOM 1877 CA TYR A 118 20.280 1.107 15.788 1.00 9.21 C ATOM 1878 C TYR A 118 20.494 1.039 17.287 1.00 13.79 C ATOM 1879 O TYR A 118 20.424 -0.024 17.883 1.00 16.83 O ATOM 1880 CB TYR A 118 18.796 0.932 15.476 1.00 9.82 C ATOM 1881 CG TYR A 118 17.941 2.027 16.029 1.00 9.85 C ATOM 1882 CD1 TYR A 118 17.783 3.202 15.336 1.00 9.91 C ATOM 1883 CD2 TYR A 118 17.286 1.887 17.233 1.00 11.68 C ATOM 1884 CE1 TYR A 118 17.012 4.207 15.803 1.00 12.72 C ATOM 1885 CE2 TYR A 118 16.495 2.918 17.725 1.00 11.61 C ATOM 1886 CZ TYR A 118 16.377 4.072 16.997 1.00 13.05 C ATOM 1887 OH TYR A 118 15.615 5.126 17.418 1.00 17.14 O ATOM 1888 HA TYR A 118 20.606 2.073 15.403 1.00 0.00 H ATOM 1889 HB3 TYR A 118 18.463 -0.015 15.900 1.00 0.00 H ATOM 1890 HB2 TYR A 118 18.670 0.908 14.394 1.00 0.00 H ATOM 1891 HD2 TYR A 118 17.389 0.963 17.802 1.00 0.00 H ATOM 1892 HE2 TYR A 118 15.976 2.810 18.677 1.00 0.00 H ATOM 1893 HE1 TYR A 118 16.899 5.124 15.224 1.00 0.00 H ATOM 1894 HD1 TYR A 118 18.295 3.327 14.382 1.00 0.00 H ATOM 1895 HH TYR A 118 15.955 5.450 18.289 1.00 0.00 H ATOM 1896 H TYR A 118 20.558 -0.815 14.851 1.00 0.00 H ATOM 1897 N ASN A 119 20.766 2.181 17.894 1.00 18.92 N ATOM 1898 CA ASN A 119 21.103 2.182 19.300 1.00 21.16 C ATOM 1899 C ASN A 119 19.890 2.598 20.108 1.00 23.47 C ATOM 1900 O ASN A 119 19.538 3.776 20.150 1.00 24.77 O ATOM 1901 CB ASN A 119 22.313 3.087 19.533 1.00 23.77 C ATOM 1902 CG ASN A 119 23.525 2.646 18.713 1.00 26.63 C ATOM 1903 OD1 ASN A 119 24.130 1.608 18.991 1.00 29.76 O ATOM 1904 ND2 ASN A 119 23.863 3.417 17.684 1.00 26.49 N ATOM 1905 HA ASN A 119 21.382 1.182 19.631 1.00 0.00 H ATOM 1906 HB2 ASN A 119 22.050 4.107 19.252 1.00 0.00 H ATOM 1907 HB3 ASN A 119 22.575 3.060 20.591 1.00 0.00 H ATOM 1908 HD22 ASN A 119 23.325 4.285 17.485 1.00 0.00 H ATOM 1909 HD21 ASN A 119 24.665 3.153 17.078 1.00 0.00 H ATOM 1910 H ASN A 119 20.738 3.075 17.363 1.00 0.00 H ATOM 1911 N GLU A 120 19.232 1.604 20.704 1.00 24.56 N ATOM 1912 CA GLU A 120 18.084 1.841 21.563 1.00 26.60 C ATOM 1913 C GLU A 120 17.111 2.816 20.917 1.00 26.17 C ATOM 1914 O GLU A 120 15.927 2.847 21.259 1.00 25.14 O ATOM 1915 CB GLU A 120 18.558 2.397 22.909 1.00 27.17 C ATOM 1916 CG GLU A 120 17.447 2.808 23.839 1.00 27.42 C ATOM 1917 CD GLU A 120 17.971 3.530 25.059 1.00 27.54 C ATOM 1918 OE1 GLU A 120 18.517 4.641 24.895 1.00 25.89 O ATOM 1919 OE2 GLU A 120 17.841 2.988 26.178 1.00 29.66 O ATOM 1920 HA GLU A 120 17.566 0.894 21.717 1.00 0.00 H ATOM 1921 HB2 GLU A 120 19.152 1.629 23.405 1.00 0.00 H ATOM 1922 HB3 GLU A 120 19.182 3.270 22.717 1.00 0.00 H ATOM 1923 HG2 GLU A 120 16.765 3.469 23.304 1.00 0.00 H ATOM 1924 HG3 GLU A 120 16.909 1.917 24.161 1.00 0.00 H ATOM 1925 H GLU A 120 19.551 0.626 20.549 1.00 0.00 H TER 1926 GLU A 120 HETATM 1927 O HOH 1 7.577 -16.447 16.499 1.00 5.12 O HETATM 1928 O HOH 2 20.454 -4.543 4.489 1.00 6.38 O HETATM 1929 O HOH 3 16.442 3.857 10.549 1.00 5.65 O HETATM 1930 O HOH 4 11.832 -21.169 20.169 1.00 8.30 O HETATM 1931 O HOH 5 24.444 2.761 7.484 1.00 11.70 O HETATM 1932 O HOH 6 21.478 -4.438 15.114 1.00 14.22 O HETATM 1933 O HOH 7 1.087 -1.902 11.381 1.00 13.33 O HETATM 1934 O HOH 8 22.097 4.600 14.215 1.00 18.51 O HETATM 1935 O HOH 9 6.407 -19.184 23.456 1.00 12.11 O HETATM 1936 O HOH 10 20.452 -13.831 -6.676 1.00 12.74 O HETATM 1937 O HOH 11 18.877 6.021 13.036 1.00 15.70 O HETATM 1938 O HOH 12 20.200 -18.175 13.202 1.00 15.36 O HETATM 1939 O HOH 13 11.619 -13.627 -5.425 1.00 15.39 O HETATM 1940 O HOH 14 12.803 5.782 2.947 1.00 15.36 O HETATM 1941 O HOH 15 17.246 -6.507 31.303 1.00 15.64 O HETATM 1942 O HOH 16 18.155 -12.902 14.835 1.00 18.39 O HETATM 1943 O HOH 17 18.983 -17.511 3.295 1.00 13.75 O HETATM 1944 O HOH 18 14.514 -1.800 -9.114 1.00 13.74 O HETATM 1945 O HOH 19 1.417 -7.313 -1.993 1.00 15.91 O HETATM 1946 O HOH 20 13.389 -24.234 26.311 1.00 23.83 O HETATM 1947 O HOH 21 23.650 1.526 3.471 1.00 13.79 O HETATM 1948 O HOH 22 6.875 5.796 24.105 1.00 18.12 O HETATM 1949 O HOH 23 5.031 -11.002 -2.971 1.00 22.45 O HETATM 1950 O HOH 24 14.497 -1.164 23.018 1.00 22.45 O HETATM 1951 O HOH 25 13.159 8.180 10.273 1.00 15.96 O HETATM 1952 O HOH 26 11.025 2.495 20.950 1.00 15.99 O HETATM 1953 O HOH 27 13.534 -8.103 33.313 1.00 23.10 O HETATM 1954 O HOH 28 -0.679 -2.069 14.157 1.00 16.60 O HETATM 1955 O HOH 29 4.377 -17.536 22.535 1.00 13.92 O HETATM 1956 O HOH 30 26.334 -3.699 7.449 1.00 19.79 O HETATM 1957 O HOH 31 17.839 -17.613 7.534 1.00 25.32 O HETATM 1958 O HOH 32 26.324 -0.144 18.174 1.00 24.46 O HETATM 1959 O HOH 33 10.496 7.998 21.439 1.00 24.55 O HETATM 1960 O HOH 34 12.300 -23.957 12.166 1.00 24.21 O HETATM 1961 O HOH 35 8.738 2.176 19.537 1.00 22.76 O HETATM 1962 O HOH 36 20.818 -2.767 17.295 1.00 25.67 O HETATM 1963 O HOH 37 18.744 -19.149 1.009 1.00 27.37 O HETATM 1964 O HOH 38 13.597 0.670 25.064 1.00 19.01 O HETATM 1965 O HOH 39 20.543 -10.763 -6.596 1.00 19.39 O HETATM 1966 O HOH 40 19.255 -16.663 9.727 1.00 24.37 O HETATM 1967 O HOH 41 12.580 -22.917 22.769 1.00 18.11 O HETATM 1968 O HOH 42 19.131 -6.721 -7.600 1.00 20.79 O HETATM 1969 O HOH 43 1.037 5.841 13.491 1.00 22.50 O HETATM 1970 O HOH 44 13.664 -16.899 0.739 1.00 26.64 O HETATM 1971 O HOH 45 5.599 -23.081 15.039 1.00 21.86 O HETATM 1972 O HOH 46 18.197 -10.745 16.403 1.00 28.92 O HETATM 1973 O HOH 47 24.274 -6.950 9.989 1.00 28.39 O HETATM 1974 O HOH 48 1.781 -17.764 8.331 1.00 22.73 O HETATM 1975 O HOH 49 20.392 -11.950 20.950 1.00 27.41 O HETATM 1976 O HOH 50 2.524 -5.329 -1.201 1.00 23.60 O HETATM 1977 O HOH 51 1.900 -20.780 13.854 1.00 29.12 O HETATM 1978 O HOH 52 8.571 6.022 22.146 1.00 25.06 O HETATM 1979 O HOH 53 5.077 -3.360 -2.226 1.00 25.79 O HETATM 1980 O HOH 54 -0.582 -12.779 9.071 1.00 27.74 O HETATM 1981 O HOH 55 23.694 -11.813 4.028 1.00 30.81 O HETATM 1982 O HOH 56 21.789 -16.497 14.847 1.00 28.17 O HETATM 1983 O HOH 57 14.648 5.089 19.843 1.00 27.70 O HETATM 1984 O HOH 58 1.817 -17.691 22.661 1.00 16.53 O HETATM 1985 O HOH 59 17.426 6.635 10.345 1.00 19.90 O HETATM 1986 O HOH 60 14.837 -4.323 22.341 1.00 20.38 O HETATM 1987 O HOH 61 2.711 -2.024 8.824 1.00 18.31 O HETATM 1988 O HOH 62 25.876 -10.366 2.951 1.00 29.55 O HETATM 1989 O HOH 63 15.739 8.853 10.056 1.00 27.18 O HETATM 1990 O HOH 64 6.580 2.364 19.883 1.00 24.55 O HETATM 1991 O HOH 65 18.112 -6.081 22.927 1.00 31.25 O HETATM 1992 O HOH 66 13.772 -17.233 -5.987 1.00 25.59 O HETATM 1993 O HOH 67 -0.729 -19.401 11.146 1.00 24.19 O HETATM 1994 O HOH 68 22.563 -11.909 5.946 1.00 32.61 O HETATM 1995 O HOH 69 11.929 -16.095 -6.458 1.00 31.04 O HETATM 1996 O HOH 70 20.091 -7.761 22.153 1.00 29.73 O HETATM 1997 O HOH 71 -2.591 -5.600 6.037 1.00 34.61 O HETATM 1998 O HOH 72 24.182 -5.217 12.204 1.00 30.18 O HETATM 1999 O HOH 73 -3.465 -11.966 9.389 1.00 33.87 O HETATM 2000 O HOH 74 12.885 -2.103 -11.367 1.00 19.43 O HETATM 2001 O HOH 75 5.673 -4.676 -4.257 1.00 29.07 O HETATM 2002 O HOH 76 4.491 -11.799 -5.407 1.00 34.00 O HETATM 2003 O HOH 77 9.461 -17.170 -5.763 1.00 33.67 O HETATM 2004 O HOH 78 0.990 2.872 5.027 1.00 34.55 O HETATM 2005 O HOH 79 14.960 3.638 -0.322 1.00 5.56 O HETATM 2006 O HOH 80 12.004 -7.886 31.076 1.00 10.34 O HETATM 2007 O HOH 81 16.215 0.297 -8.654 1.00 11.80 O HETATM 2008 O HOH 82 19.319 -11.577 38.000 1.00 12.01 O HETATM 2009 O HOH 83 1.175 -16.229 20.413 1.00 16.78 O HETATM 2010 O HOH 84 16.001 -0.196 -6.007 1.00 15.63 O HETATM 2011 O HOH 85 -1.669 1.273 12.906 1.00 24.45 O HETATM 2012 O HOH 86 17.165 -3.017 -6.650 1.00 20.49 O HETATM 2013 O HOH 87 24.699 -10.821 6.398 1.00 30.49 O HETATM 2014 O HOH 88 2.331 7.958 12.193 1.00 28.64 O HETATM 2015 O HOH 89 24.936 -9.557 11.089 1.00 36.13 O HETATM 2016 O HOH 90 17.170 -10.013 37.540 1.00 31.49 O HETATM 2017 O HOH 91 14.073 -19.095 -3.920 1.00 35.80 O HETATM 2018 O HOH 92 0.966 -20.239 23.268 1.00 32.32 O HETATM 2019 O HOH 93 16.211 -1.593 29.083 1.00 22.92 O HETATM 2020 O HOH 94 27.293 -6.665 0.240 1.00 23.57 O HETATM 2021 O HOH 95 17.672 -0.405 28.166 1.00 36.41 O HETATM 2022 O HOH 96 16.279 9.330 7.548 1.00 35.11 O HETATM 2023 O HOH 97 24.245 -11.995 11.962 1.00 38.06 O HETATM 2024 O HOH 98 3.690 -23.056 13.151 1.00 29.57 O HETATM 2025 O HOH 99 0.342 -0.880 8.676 1.00 28.55 O HETATM 2026 O HOH 100 13.380 1.139 22.112 1.00 35.31 O HETATM 2027 O HOH 101 13.735 -20.212 6.780 1.00 19.03 O HETATM 2028 O HOH 102 10.756 -16.619 2.399 1.00 27.26 O HETATM 2029 O HOH 103 11.361 -22.720 5.246 1.00 22.80 O HETATM 2030 O HOH 104 7.812 -26.813 3.033 1.00 32.43 O HETATM 2031 O HOH 105 11.555 9.117 12.101 1.00 31.33 O HETATM 2032 O HOH 106 -1.428 -3.700 3.537 1.00 32.53 O HETATM 2033 O HOH 107 6.434 -6.470 -5.652 1.00 32.69 O HETATM 2034 O HOH 108 6.969 -25.766 0.951 1.00 38.12 O HETATM 2035 O HOH 109 23.373 2.566 -5.294 1.00 26.97 O HETATM 2036 O HOH 110 22.485 0.514 -3.219 1.00 20.88 O HETATM 2037 O HOH 111 4.321 -25.128 3.454 1.00 26.16 O HETATM 2038 O HOH 112 15.431 -21.216 5.049 1.00 29.94 O HETATM 2039 O HOH 113 17.197 -7.936 -6.122 1.00 26.71 O HETATM 2040 O HOH 114 17.645 -9.145 35.198 1.00 32.33 O HETATM 2041 O HOH 115 29.690 -7.612 1.992 1.00 37.64 O HETATM 2042 O HOH 116 27.061 -5.748 3.219 1.00 23.47 O HETATM 2043 O HOH 117 19.516 -18.545 24.099 1.00 18.13 O HETATM 2044 O HOH 118 13.467 -23.454 4.657 1.00 32.61 O HETATM 2045 O HOH 119 14.270 -24.832 3.449 1.00 36.73 O HETATM 2046 O HOH 120 15.374 -4.417 -7.775 1.00 30.31 O HETATM 2047 O HOH 121 24.686 -12.847 2.180 1.00 34.35 O HETATM 2048 O HOH 122 6.363 -12.421 32.313 1.00 24.63 O HETATM 2049 O HOH 123 15.893 0.367 26.689 1.00 28.42 O HETATM 2050 O HOH 124 11.189 -18.821 28.769 1.00 35.47 O HETATM 2051 O HOH 125 8.383 -14.326 31.618 1.00 32.89 O HETATM 2052 O HOH 126 4.556 -15.577 25.062 1.00 33.77 O HETATM 2053 O HOH 127 9.174 -16.240 30.658 1.00 34.45 O HETATM 2054 O HOH 128 26.145 -4.899 1.270 1.00 6.21 O HETATM 2055 O HOH 129 5.355 -29.084 1.619 1.00 34.77 O HETATM 2056 O HOH 130 3.651 -18.000 26.790 1.00 35.46 O HETATM 2057 O HOH 131 19.407 -11.970 17.901 1.00 29.53 O HETATM 2058 O HOH 132 24.960 -9.282 13.897 1.00 35.79 O HETATM 2059 O HOH 133 5.151 -24.255 10.754 1.00 17.65 O HETATM 2060 C01 UNN A 134 12.981 -10.252 22.296 1.00 -0.03 C HETATM 2061 C02 UNN A 134 13.576 -9.358 21.449 1.00 0.14 C HETATM 2062 C03 UNN A 134 14.266 -8.272 21.974 1.00 -0.03 C HETATM 2063 C04 UNN A 134 14.315 -8.068 23.336 1.00 -0.05 C HETATM 2064 C05 UNN A 134 13.731 -8.982 24.180 1.00 0.03 C HETATM 2065 C06 UNN A 134 13.044 -10.058 23.670 1.00 -0.05 C HETATM 2066 H4 UNN A 134 12.552 -10.754 24.339 1.00 0.06 H HETATM 2067 C07 UNN A 134 13.777 -8.739 25.614 1.00 0.17 C HETATM 2068 N08 UNN A 134 13.981 -9.623 26.623 1.00 -0.16 N HETATM 2069 C09 UNN A 134 13.927 -8.909 27.762 1.00 0.21 C HETATM 2070 N10 UNN A 134 13.647 -7.658 27.472 1.00 -0.25 N HETATM 2071 N11 UNN A 134 13.577 -7.534 26.148 1.00 -0.26 N HETATM 2072 S18 UNN A 134 14.139 -9.577 29.337 1.00 -0.06 S HETATM 2073 H8 UNN A 134 13.293 -9.452 29.870 1.00 0.13 H HETATM 2074 C12 UNN A 134 14.225 -11.009 26.409 1.00 0.10 C HETATM 2075 C13 UNN A 134 15.338 -11.329 25.666 1.00 -0.01 C HETATM 2076 C14 UNN A 134 15.587 -12.669 25.385 1.00 0.04 C HETATM 2077 C15 UNN A 134 14.707 -13.651 25.838 1.00 -0.01 C HETATM 2078 C16 UNN A 134 13.576 -13.317 26.610 1.00 -0.07 C HETATM 2079 C17 UNN A 134 13.330 -11.973 26.891 1.00 -0.03 C HETATM 2080 H7 UNN A 134 12.463 -11.680 27.471 1.00 0.05 H HETATM 2081 H6 UNN A 134 12.910 -14.089 26.978 1.00 0.06 H HETATM 2082 C21 UNN A 134 15.104 -14.978 25.443 1.00 0.05 C HETATM 2083 C20 UNN A 134 16.288 -14.989 24.711 1.00 0.08 C HETATM 2084 S19 UNN A 134 16.859 -13.393 24.502 1.00 -0.03 S HETATM 2085 C22 UNN A 134 17.012 -16.110 24.095 1.00 0.07 C HETATM 2086 O23 UNN A 134 16.669 -17.282 24.291 1.00 -0.56 O HETATM 2087 O24 UNN A 134 17.951 -15.788 23.333 1.00 -0.56 O HETATM 2088 CL2 UNN A 134 14.160 -16.347 25.900 1.00 -0.08 CL HETATM 2089 H5 UNN A 134 16.006 -10.554 25.307 1.00 0.05 H HETATM 2090 H3 UNN A 134 14.811 -7.192 23.739 1.00 0.06 H HETATM 2091 H2 UNN A 134 14.769 -7.581 21.308 1.00 0.06 H HETATM 2092 F26 UNN A 134 13.490 -9.534 20.128 1.00 -0.18 F HETATM 2093 H1 UNN A 134 12.460 -11.113 21.894 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2060 2061 2065 2093 CONECT 2061 2060 2062 2092 CONECT 2062 2061 2063 2091 CONECT 2063 2062 2064 2090 CONECT 2064 2063 2065 2067 CONECT 2065 2060 2064 2066 CONECT 2066 2065 CONECT 2067 2064 2068 2071 CONECT 2068 2067 2069 2074 CONECT 2069 2068 2070 2072 CONECT 2070 2069 2071 CONECT 2071 2067 2070 CONECT 2072 2069 2073 CONECT 2073 2072 CONECT 2074 2068 2075 2079 CONECT 2075 2074 2076 2089 CONECT 2076 2075 2077 2084 CONECT 2077 2076 2078 2082 CONECT 2078 2077 2079 2081 CONECT 2079 2074 2078 2080 CONECT 2080 2079 CONECT 2081 2078 CONECT 2082 2077 2083 2088 CONECT 2083 2082 2084 2085 CONECT 2084 2076 2083 CONECT 2085 2083 2086 2087 CONECT 2086 2085 CONECT 2087 2085 CONECT 2088 2082 CONECT 2089 2075 CONECT 2090 2063 CONECT 2091 2062 CONECT 2092 2061 CONECT 2093 2060 MASTER 0 0 0 0 0 0 0 0 2092 1 38 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4ijh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4ijl
RCSB PDB
PDBbind
123aa, >4IJL_1|Chain... at 100%
4luo
RCSB PDB
PDBbind
123aa, >4LUO_1|Chain... at 100%
4luv
RCSB PDB
PDBbind
123aa, >4LUV_1|Chain... at 100%
4luz
RCSB PDB
PDBbind
123aa, >4LUZ_1|Chain... at 100%
4lw1
RCSB PDB
PDBbind
123aa, >4LW1_1|Chain... at 100%
4lwc
RCSB PDB
PDBbind
123aa, >4LWC_1|Chain... at 100%
4o0a
RCSB PDB
PDBbind
123aa, >4O0A_1|Chain... at 100%
4r4c
RCSB PDB
PDBbind
123aa, >4R4C_1|Chain... at 100%
4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
123aa, >4R4O_1|Chain... at 100%
4r4q
RCSB PDB
PDBbind
123aa, >4R4Q_1|Chain... at 100%
4r4t
RCSB PDB
PDBbind
123aa, >4R4T_1|Chain... at 100%
5e7n
RCSB PDB
PDBbind
123aa, >5E7N_1|Chain... at 100%
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
4ijh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Replication protein A 70 kDa DNA-binding subunit (E7R mutation)
Ligand Name
1EJ
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=47uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) ACS MED.CHEM.LETT. Vol. 4: pp. 601-605
Ligand Properties
Formula
C
1
7
H
9
ClFN
3
O
2
S
2
Molecular Weight
405.854
Exact Mass
404.981
No. of atoms
35
No. of bonds
38
Polar Surface Area
135.05
LOGP Value
5.62 (
Computed with XLOGP3
)
4.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Fc1ccc(cc1)c1nnc(n1c1ccc2c(c1)sc(c2Cl)C(=O)O)S
InChI String
InChI=1S/C17H9ClFN3O2S2/c18-13-11-6-5-10(7-12(11)26-14(13)16(23)24)22-15(20-21-17(22)25)8-1-3-9(19)4-2-8/h1-7H,(H,21,25)(H,23,24)
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):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓