Browse entries in the PDBbind-CN Database
HEADER 5DP7_COMPLEX COMPND 5DP7_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 MET GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG SEQRES 2 A 181 ARG ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE SEQRES 3 A 181 THR MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO SEQRES 4 A 181 ARG HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS SEQRES 5 A 181 LYS LEU VAL ASN ILE LEU ASP ALA VAL GLU LEU VAL ASP SEQRES 6 A 181 GLU GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU SEQRES 7 A 181 ASP THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE SEQRES 8 A 181 PRO GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL SEQRES 9 A 181 ILE ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL SEQRES 10 A 181 GLY ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY SEQRES 11 A 181 LYS PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR SEQRES 12 A 181 LYS ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY SEQRES 13 A 181 LYS VAL ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN SEQRES 14 A 181 GLY PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA HET UNN A 263 70 ATOM 1 N MET A 0 0.031 32.852 -26.904 1.00 39.53 N ATOM 2 CA MET A 0 0.172 32.037 -25.668 1.00 38.12 C ATOM 3 C MET A 0 0.698 32.864 -24.532 1.00 35.84 C ATOM 4 O MET A 0 1.589 33.682 -24.706 1.00 41.17 O ATOM 5 CB MET A 0 1.112 30.844 -25.898 1.00 37.84 C ATOM 6 CG MET A 0 1.515 30.141 -24.614 1.00 37.95 C ATOM 7 SD MET A 0 2.396 28.581 -24.826 1.00 43.49 S ATOM 8 CE MET A 0 1.563 27.809 -26.223 1.00 41.73 C ATOM 9 HN3 MET A 0 0.960 33.235 -27.173 1.00 0.00 H ATOM 10 HN2 MET A 0 -0.630 33.635 -26.728 1.00 0.00 H ATOM 11 HN1 MET A 0 -0.334 32.254 -27.672 1.00 0.00 H ATOM 12 N GLY A 1 0.172 32.600 -23.352 1.00 35.87 N ATOM 13 CA GLY A 1 0.622 33.274 -22.145 1.00 35.95 C ATOM 14 C GLY A 1 1.958 32.795 -21.591 1.00 33.84 C ATOM 15 O GLY A 1 2.443 31.679 -21.889 1.00 32.46 O ATOM 16 H GLY A 1 -0.585 31.890 -23.283 1.00 0.00 H ATOM 17 N PRO A 2 2.560 33.650 -20.771 1.00 31.96 N ATOM 18 CA PRO A 2 3.915 33.474 -20.288 1.00 28.86 C ATOM 19 C PRO A 2 4.076 32.296 -19.330 1.00 28.51 C ATOM 20 O PRO A 2 5.133 31.636 -19.334 1.00 26.78 O ATOM 21 CB PRO A 2 4.187 34.799 -19.590 1.00 29.12 C ATOM 22 CG PRO A 2 2.844 35.231 -19.063 1.00 28.26 C ATOM 23 CD PRO A 2 1.886 34.818 -20.139 1.00 29.87 C ATOM 24 N SER A 3 3.044 32.015 -18.536 1.00 25.78 N ATOM 25 CA SER A 3 3.069 30.885 -17.612 1.00 24.40 C ATOM 26 C SER A 3 3.074 29.542 -18.333 1.00 22.53 C ATOM 27 O SER A 3 3.857 28.616 -18.000 1.00 20.63 O ATOM 28 CB SER A 3 1.854 30.949 -16.669 1.00 28.51 C ATOM 29 OG SER A 3 2.205 31.422 -15.374 1.00 27.96 O ATOM 30 HG SER A 3 2.876 30.814 -14.973 1.00 0.00 H ATOM 31 H SER A 3 2.197 32.617 -18.575 1.00 0.00 H ATOM 32 N LEU A 4 2.176 29.420 -19.306 1.00 20.63 N ATOM 33 CA LEU A 4 2.111 28.223 -20.132 1.00 19.40 C ATOM 34 C LEU A 4 3.371 28.043 -21.000 1.00 19.15 C ATOM 35 O LEU A 4 3.887 26.944 -21.128 1.00 17.93 O ATOM 36 CB LEU A 4 0.839 28.235 -20.991 1.00 19.48 C ATOM 37 CG LEU A 4 0.580 27.069 -21.959 1.00 19.26 C ATOM 38 CD1 LEU A 4 0.451 25.719 -21.222 1.00 18.76 C ATOM 39 CD2 LEU A 4 -0.707 27.381 -22.768 1.00 19.63 C ATOM 40 H LEU A 4 1.506 30.196 -19.481 1.00 0.00 H ATOM 41 N ASP A 5 3.853 29.118 -21.598 1.00 20.27 N ATOM 42 CA ASP A 5 5.125 29.103 -22.314 1.00 21.58 C ATOM 43 C ASP A 5 6.289 28.607 -21.470 1.00 22.35 C ATOM 44 O ASP A 5 7.103 27.823 -21.957 1.00 23.50 O ATOM 45 CB ASP A 5 5.432 30.503 -22.838 1.00 23.51 C ATOM 46 CG ASP A 5 6.700 30.556 -23.612 1.00 25.39 C ATOM 47 OD1 ASP A 5 6.703 30.067 -24.751 1.00 27.32 O ATOM 48 OD2 ASP A 5 7.705 31.027 -23.055 1.00 25.43 O ATOM 49 H ASP A 5 3.309 30.003 -21.557 1.00 0.00 H ATOM 50 N PHE A 6 6.370 29.042 -20.210 1.00 23.35 N ATOM 51 CA PHE A 6 7.455 28.614 -19.327 1.00 24.35 C ATOM 52 C PHE A 6 7.452 27.110 -19.037 1.00 23.86 C ATOM 53 O PHE A 6 8.493 26.436 -19.163 1.00 23.51 O ATOM 54 CB PHE A 6 7.461 29.410 -18.015 1.00 26.44 C ATOM 55 CG PHE A 6 8.653 29.116 -17.137 1.00 27.41 C ATOM 56 CD1 PHE A 6 9.888 29.713 -17.393 1.00 28.12 C ATOM 57 CD2 PHE A 6 8.535 28.241 -16.066 1.00 25.07 C ATOM 58 CE1 PHE A 6 10.980 29.438 -16.589 1.00 28.38 C ATOM 59 CE2 PHE A 6 9.611 27.972 -15.268 1.00 27.51 C ATOM 60 CZ PHE A 6 10.841 28.561 -15.534 1.00 28.19 C ATOM 61 H PHE A 6 5.648 29.698 -19.849 1.00 0.00 H ATOM 62 N ALA A 7 6.289 26.564 -18.717 1.00 23.01 N ATOM 63 CA ALA A 7 6.184 25.145 -18.352 1.00 21.70 C ATOM 64 C ALA A 7 6.405 24.253 -19.572 1.00 19.72 C ATOM 65 O ALA A 7 7.105 23.255 -19.493 1.00 21.40 O ATOM 66 CB ALA A 7 4.837 24.872 -17.706 1.00 21.98 C ATOM 67 H ALA A 7 5.431 27.152 -18.724 1.00 0.00 H ATOM 68 N LEU A 8 5.875 24.671 -20.711 1.00 18.22 N ATOM 69 CA LEU A 8 6.057 23.932 -21.947 1.00 18.97 C ATOM 70 C LEU A 8 7.508 23.920 -22.351 1.00 19.58 C ATOM 71 O LEU A 8 8.031 22.889 -22.756 1.00 17.26 O ATOM 72 CB LEU A 8 5.183 24.513 -23.066 1.00 19.23 C ATOM 73 CG LEU A 8 3.680 24.224 -22.907 1.00 19.43 C ATOM 74 CD1 LEU A 8 2.932 24.984 -23.991 1.00 21.67 C ATOM 75 CD2 LEU A 8 3.389 22.720 -22.998 1.00 19.33 C ATOM 76 H LEU A 8 5.316 25.548 -20.720 1.00 0.00 H ATOM 77 N SER A 9 8.162 25.064 -22.230 1.00 19.88 N ATOM 78 CA SER A 9 9.580 25.143 -22.527 1.00 22.51 C ATOM 79 C SER A 9 10.443 24.316 -21.578 1.00 21.57 C ATOM 80 O SER A 9 11.410 23.696 -21.993 1.00 20.05 O ATOM 81 CB SER A 9 10.035 26.615 -22.466 1.00 23.85 C ATOM 82 OG SER A 9 11.430 26.635 -22.600 1.00 30.41 O ATOM 83 HG SER A 9 11.839 26.117 -21.862 1.00 0.00 H ATOM 84 H SER A 9 7.654 25.916 -21.918 1.00 0.00 H ATOM 85 N LEU A 10 10.123 24.339 -20.293 1.00 21.61 N ATOM 86 CA LEU A 10 10.736 23.403 -19.338 1.00 23.14 C ATOM 87 C LEU A 10 10.606 21.951 -19.765 1.00 22.14 C ATOM 88 O LEU A 10 11.583 21.192 -19.742 1.00 24.25 O ATOM 89 CB LEU A 10 10.092 23.513 -17.961 1.00 22.89 C ATOM 90 CG LEU A 10 10.709 24.315 -16.842 1.00 24.90 C ATOM 91 CD1 LEU A 10 9.861 24.102 -15.575 1.00 24.12 C ATOM 92 CD2 LEU A 10 12.187 23.996 -16.571 1.00 24.76 C ATOM 93 H LEU A 10 9.426 25.031 -19.953 1.00 0.00 H ATOM 94 N LEU A 11 9.397 21.562 -20.136 1.00 24.10 N ATOM 95 CA LEU A 11 9.093 20.201 -20.624 1.00 24.75 C ATOM 96 C LEU A 11 9.929 19.803 -21.802 1.00 24.07 C ATOM 97 O LEU A 11 10.384 18.669 -21.904 1.00 25.60 O ATOM 98 CB LEU A 11 7.633 20.105 -21.071 1.00 25.39 C ATOM 99 CG LEU A 11 6.592 19.520 -20.131 1.00 27.94 C ATOM 100 CD1 LEU A 11 5.226 19.601 -20.836 1.00 29.59 C ATOM 101 CD2 LEU A 11 6.914 18.087 -19.746 1.00 25.42 C ATOM 102 H LEU A 11 8.620 22.251 -20.081 1.00 0.00 H ATOM 103 N ARG A 12 10.075 20.733 -22.731 1.00 23.74 N ATOM 104 CA ARG A 12 10.848 20.541 -23.963 1.00 22.78 C ATOM 105 C ARG A 12 12.331 20.507 -23.695 1.00 22.55 C ATOM 106 O ARG A 12 13.024 19.673 -24.229 1.00 21.95 O ATOM 107 CB ARG A 12 10.559 21.689 -24.949 1.00 23.49 C ATOM 108 CG ARG A 12 11.092 21.503 -26.379 1.00 25.09 C ATOM 109 CD ARG A 12 10.682 22.642 -27.306 1.00 25.89 C ATOM 110 NE ARG A 12 11.388 23.911 -26.964 1.00 28.11 N ATOM 111 CZ ARG A 12 10.856 24.953 -26.316 1.00 27.25 C ATOM 112 NH1 ARG A 12 9.580 24.975 -25.966 1.00 29.14 N ATOM 113 NH2 ARG A 12 11.590 26.022 -26.073 1.00 26.63 N ATOM 114 HE ARG A 12 12.383 23.993 -27.256 1.00 0.00 H ATOM 115 HH12 ARG A 12 9.193 25.799 -25.463 1.00 0.00 H ATOM 116 HH11 ARG A 12 8.964 24.169 -26.194 1.00 0.00 H ATOM 117 HH22 ARG A 12 11.177 26.833 -25.569 1.00 0.00 H ATOM 118 HH21 ARG A 12 12.581 26.054 -26.385 1.00 0.00 H ATOM 119 H ARG A 12 9.615 21.653 -22.579 1.00 0.00 H ATOM 120 N ARG A 13 12.845 21.476 -22.956 1.00 22.22 N ATOM 121 CA ARG A 13 14.290 21.607 -22.811 1.00 24.19 C ATOM 122 C ARG A 13 14.893 20.881 -21.568 1.00 24.10 C ATOM 123 O ARG A 13 16.086 20.527 -21.554 1.00 23.53 O ATOM 124 CB ARG A 13 14.641 23.086 -22.776 1.00 26.55 C ATOM 125 CG ARG A 13 14.288 23.830 -24.044 1.00 27.84 C ATOM 126 CD ARG A 13 15.333 23.597 -25.102 1.00 31.30 C ATOM 127 NE ARG A 13 16.334 24.654 -25.090 1.00 32.55 N ATOM 128 CZ ARG A 13 16.018 25.937 -25.233 1.00 35.76 C ATOM 129 NH1 ARG A 13 14.741 26.320 -25.351 1.00 36.60 N ATOM 130 NH2 ARG A 13 16.966 26.850 -25.238 1.00 35.75 N ATOM 131 HE ARG A 13 17.334 24.396 -24.965 1.00 0.00 H ATOM 132 HH12 ARG A 13 14.508 27.328 -25.462 1.00 0.00 H ATOM 133 HH11 ARG A 13 13.981 25.610 -25.331 1.00 0.00 H ATOM 134 HH22 ARG A 13 16.720 27.854 -25.350 1.00 0.00 H ATOM 135 HH21 ARG A 13 17.961 26.567 -25.130 1.00 0.00 H ATOM 136 H ARG A 13 12.214 22.149 -22.475 1.00 0.00 H ATOM 137 N ASN A 14 14.113 20.692 -20.500 1.00 20.66 N ATOM 138 CA ASN A 14 14.748 20.298 -19.231 1.00 18.97 C ATOM 139 C ASN A 14 14.128 19.128 -18.454 1.00 19.14 C ATOM 140 O ASN A 14 14.733 18.655 -17.522 1.00 20.20 O ATOM 141 CB ASN A 14 14.858 21.523 -18.302 1.00 17.84 C ATOM 142 CG ASN A 14 15.770 22.582 -18.852 1.00 17.43 C ATOM 143 OD1 ASN A 14 15.319 23.512 -19.548 1.00 16.79 O ATOM 144 ND2 ASN A 14 17.085 22.423 -18.609 1.00 16.77 N ATOM 145 HD22 ASN A 14 17.413 21.630 -18.021 1.00 0.00 H ATOM 146 HD21 ASN A 14 17.772 23.093 -19.009 1.00 0.00 H ATOM 147 H ASN A 14 13.083 20.820 -20.563 1.00 0.00 H ATOM 148 N VAL A 15 12.973 18.620 -18.850 1.00 17.47 N ATOM 149 CA VAL A 15 12.291 17.652 -18.043 1.00 17.24 C ATOM 150 C VAL A 15 12.063 16.394 -18.859 1.00 18.55 C ATOM 151 O VAL A 15 11.298 16.414 -19.822 1.00 18.35 O ATOM 152 CB VAL A 15 10.937 18.192 -17.512 1.00 16.93 C ATOM 153 CG1 VAL A 15 10.306 17.151 -16.614 1.00 16.54 C ATOM 154 CG2 VAL A 15 11.133 19.495 -16.741 1.00 15.50 C ATOM 155 H VAL A 15 12.557 18.925 -19.753 1.00 0.00 H ATOM 156 N ARG A 16 12.698 15.305 -18.427 1.00 18.55 N ATOM 157 CA ARG A 16 12.751 14.079 -19.188 1.00 18.30 C ATOM 158 C ARG A 16 12.142 12.865 -18.513 1.00 16.26 C ATOM 159 O ARG A 16 12.108 12.717 -17.309 1.00 14.07 O ATOM 160 CB ARG A 16 14.191 13.717 -19.454 1.00 20.03 C ATOM 161 CG ARG A 16 14.983 14.875 -19.968 1.00 22.75 C ATOM 162 CD ARG A 16 14.600 15.165 -21.381 1.00 26.75 C ATOM 163 NE ARG A 16 15.716 15.866 -21.966 1.00 31.51 N ATOM 164 CZ ARG A 16 15.668 17.088 -22.477 1.00 34.54 C ATOM 165 NH1 ARG A 16 14.509 17.760 -22.569 1.00 36.46 N ATOM 166 NH2 ARG A 16 16.799 17.618 -22.932 1.00 36.03 N ATOM 167 HE ARG A 16 16.632 15.373 -21.989 1.00 0.00 H ATOM 168 HH12 ARG A 16 14.494 18.718 -22.973 1.00 0.00 H ATOM 169 HH11 ARG A 16 13.626 17.322 -22.236 1.00 0.00 H ATOM 170 HH22 ARG A 16 16.798 18.575 -23.340 1.00 0.00 H ATOM 171 HH21 ARG A 16 17.685 17.076 -22.880 1.00 0.00 H ATOM 172 H ARG A 16 13.175 15.340 -17.504 1.00 0.00 H ATOM 173 N GLN A 17 11.729 11.967 -19.392 1.00 16.32 N ATOM 174 CA GLN A 17 11.206 10.658 -19.077 1.00 15.84 C ATOM 175 C GLN A 17 12.372 9.746 -18.869 1.00 16.35 C ATOM 176 O GLN A 17 13.223 9.570 -19.783 1.00 15.93 O ATOM 177 CB GLN A 17 10.362 10.138 -20.242 1.00 16.98 C ATOM 178 CG GLN A 17 9.296 11.124 -20.767 1.00 16.50 C ATOM 179 CD GLN A 17 8.375 10.485 -21.802 1.00 17.25 C ATOM 180 OE1 GLN A 17 8.663 9.439 -22.301 1.00 17.21 O ATOM 181 NE2 GLN A 17 7.290 11.160 -22.149 1.00 18.04 N ATOM 182 HE22 GLN A 17 7.074 12.068 -21.691 1.00 0.00 H ATOM 183 HE21 GLN A 17 6.654 10.782 -22.880 1.00 0.00 H ATOM 184 H GLN A 17 11.786 12.226 -20.398 1.00 0.00 H ATOM 185 N VAL A 18 12.425 9.162 -17.667 1.00 16.83 N ATOM 186 CA VAL A 18 13.467 8.180 -17.353 1.00 16.10 C ATOM 187 C VAL A 18 12.941 6.918 -16.627 1.00 16.86 C ATOM 188 O VAL A 18 11.770 6.818 -16.199 1.00 16.44 O ATOM 189 CB VAL A 18 14.624 8.837 -16.574 1.00 14.31 C ATOM 190 CG1 VAL A 18 14.974 10.199 -17.185 1.00 13.36 C ATOM 191 CG2 VAL A 18 14.282 8.956 -15.092 1.00 14.72 C ATOM 192 H VAL A 18 11.718 9.408 -16.945 1.00 0.00 H ATOM 193 N GLN A 19 13.832 5.941 -16.555 1.00 17.90 N ATOM 194 CA GLN A 19 13.544 4.669 -15.915 1.00 19.45 C ATOM 195 C GLN A 19 14.797 4.188 -15.279 1.00 18.15 C ATOM 196 O GLN A 19 15.847 4.164 -15.911 1.00 16.03 O ATOM 197 CB GLN A 19 13.097 3.610 -16.945 1.00 21.23 C ATOM 198 CG GLN A 19 11.642 3.639 -17.368 1.00 22.45 C ATOM 199 CD GLN A 19 11.387 2.584 -18.446 1.00 23.29 C ATOM 200 OE1 GLN A 19 11.462 1.387 -18.178 1.00 22.42 O ATOM 201 NE2 GLN A 19 11.149 3.042 -19.694 1.00 22.48 N ATOM 202 HE22 GLN A 19 11.094 4.065 -19.871 1.00 0.00 H ATOM 203 HE21 GLN A 19 11.020 2.371 -20.478 1.00 0.00 H ATOM 204 H GLN A 19 14.773 6.090 -16.972 1.00 0.00 H ATOM 205 N THR A 20 14.688 3.795 -14.020 1.00 19.98 N ATOM 206 CA THR A 20 15.760 3.150 -13.337 1.00 18.78 C ATOM 207 C THR A 20 15.264 1.731 -13.079 1.00 21.71 C ATOM 208 O THR A 20 14.151 1.385 -13.464 1.00 19.12 O ATOM 209 CB THR A 20 16.049 3.843 -12.009 1.00 17.88 C ATOM 210 OG1 THR A 20 14.862 3.869 -11.177 1.00 16.77 O ATOM 211 CG2 THR A 20 16.563 5.293 -12.263 1.00 17.78 C ATOM 212 HG1 THR A 20 15.070 4.322 -10.322 1.00 0.00 H ATOM 213 H THR A 20 13.795 3.962 -13.514 1.00 0.00 H ATOM 214 N ASP A 21 16.053 0.938 -12.366 1.00 23.39 N ATOM 215 CA ASP A 21 15.558 -0.341 -11.821 1.00 24.37 C ATOM 216 C ASP A 21 14.333 -0.197 -10.923 1.00 25.13 C ATOM 217 O ASP A 21 13.537 -1.118 -10.852 1.00 24.97 O ATOM 218 CB ASP A 21 16.647 -1.017 -11.041 1.00 26.24 C ATOM 219 CG ASP A 21 17.680 -1.556 -11.934 1.00 27.32 C ATOM 220 OD1 ASP A 21 17.350 -1.735 -13.100 1.00 29.49 O ATOM 221 OD2 ASP A 21 18.821 -1.753 -11.523 1.00 28.96 O ATOM 222 H ASP A 21 17.037 1.223 -12.188 1.00 0.00 H ATOM 223 N GLN A 22 14.183 0.957 -10.255 1.00 24.07 N ATOM 224 CA GLN A 22 13.023 1.208 -9.353 1.00 21.91 C ATOM 225 C GLN A 22 11.759 1.592 -10.116 1.00 20.56 C ATOM 226 O GLN A 22 10.704 1.654 -9.534 1.00 19.57 O ATOM 227 CB GLN A 22 13.319 2.350 -8.373 1.00 21.78 C ATOM 228 CG GLN A 22 14.347 2.032 -7.325 1.00 23.03 C ATOM 229 CD GLN A 22 14.227 0.626 -6.840 1.00 25.98 C ATOM 230 OE1 GLN A 22 15.099 -0.182 -7.092 1.00 31.41 O ATOM 231 NE2 GLN A 22 13.123 0.306 -6.192 1.00 27.44 N ATOM 232 HE22 GLN A 22 12.404 1.032 -5.999 1.00 0.00 H ATOM 233 HE21 GLN A 22 12.972 -0.673 -5.874 1.00 0.00 H ATOM 234 H GLN A 22 14.900 1.701 -10.370 1.00 0.00 H ATOM 235 N GLY A 23 11.868 1.862 -11.414 1.00 19.70 N ATOM 236 CA GLY A 23 10.700 2.139 -12.257 1.00 19.94 C ATOM 237 C GLY A 23 10.763 3.534 -12.918 1.00 19.85 C ATOM 238 O GLY A 23 11.816 4.061 -13.241 1.00 20.06 O ATOM 239 H GLY A 23 12.814 1.877 -11.846 1.00 0.00 H ATOM 240 N HIS A 24 9.619 4.130 -13.089 1.00 20.29 N ATOM 241 CA HIS A 24 9.488 5.314 -13.907 1.00 20.78 C ATOM 242 C HIS A 24 9.580 6.594 -13.083 1.00 19.61 C ATOM 243 O HIS A 24 8.982 6.685 -12.019 1.00 21.13 O ATOM 244 CB HIS A 24 8.169 5.217 -14.648 1.00 21.88 C ATOM 245 CG HIS A 24 8.217 4.299 -15.814 1.00 23.08 C ATOM 246 ND1 HIS A 24 7.820 2.974 -15.759 1.00 24.91 N ATOM 247 CD2 HIS A 24 8.623 4.519 -17.078 1.00 23.73 C ATOM 248 CE1 HIS A 24 7.969 2.428 -16.949 1.00 25.32 C ATOM 249 NE2 HIS A 24 8.456 3.349 -17.771 1.00 24.60 N ATOM 250 H HIS A 24 8.774 3.743 -12.623 1.00 0.00 H ATOM 251 N PHE A 25 10.356 7.567 -13.570 1.00 18.53 N ATOM 252 CA PHE A 25 10.561 8.860 -12.897 1.00 17.36 C ATOM 253 C PHE A 25 10.729 9.996 -13.921 1.00 17.11 C ATOM 254 O PHE A 25 11.118 9.783 -15.050 1.00 18.37 O ATOM 255 CB PHE A 25 11.831 8.836 -12.057 1.00 16.59 C ATOM 256 CG PHE A 25 11.761 7.912 -10.933 1.00 16.02 C ATOM 257 CD1 PHE A 25 11.348 8.360 -9.682 1.00 15.13 C ATOM 258 CD2 PHE A 25 12.053 6.550 -11.117 1.00 15.09 C ATOM 259 CE1 PHE A 25 11.231 7.461 -8.644 1.00 15.86 C ATOM 260 CE2 PHE A 25 11.958 5.663 -10.063 1.00 15.66 C ATOM 261 CZ PHE A 25 11.544 6.112 -8.839 1.00 15.83 C ATOM 262 H PHE A 25 10.842 7.401 -14.474 1.00 0.00 H ATOM 263 N THR A 26 10.403 11.199 -13.475 1.00 18.79 N ATOM 264 CA THR A 26 10.694 12.449 -14.161 1.00 16.83 C ATOM 265 C THR A 26 12.041 12.941 -13.723 1.00 16.52 C ATOM 266 O THR A 26 12.287 12.984 -12.526 1.00 17.35 O ATOM 267 CB THR A 26 9.663 13.502 -13.748 1.00 17.32 C ATOM 268 OG1 THR A 26 8.348 13.131 -14.196 1.00 18.14 O ATOM 269 CG2 THR A 26 9.992 14.840 -14.314 1.00 17.40 C ATOM 270 HG1 THR A 26 8.097 12.262 -13.794 1.00 0.00 H ATOM 271 H THR A 26 9.901 11.255 -12.566 1.00 0.00 H ATOM 272 N MET A 27 12.896 13.358 -14.664 1.00 15.92 N ATOM 273 CA MET A 27 14.274 13.810 -14.369 1.00 16.62 C ATOM 274 C MET A 27 14.406 15.298 -14.700 1.00 16.53 C ATOM 275 O MET A 27 13.941 15.730 -15.758 1.00 18.99 O ATOM 276 CB MET A 27 15.302 13.051 -15.227 1.00 17.33 C ATOM 277 CG MET A 27 16.763 13.462 -14.909 1.00 17.81 C ATOM 278 SD MET A 27 18.055 12.673 -15.886 1.00 19.40 S ATOM 279 CE MET A 27 17.910 13.594 -17.406 1.00 18.26 C ATOM 280 H MET A 27 12.576 13.365 -15.653 1.00 0.00 H ATOM 281 N LEU A 28 14.985 16.101 -13.828 1.00 16.72 N ATOM 282 CA LEU A 28 15.214 17.525 -14.160 1.00 16.42 C ATOM 283 C LEU A 28 16.662 17.742 -14.584 1.00 16.68 C ATOM 284 O LEU A 28 17.564 17.478 -13.828 1.00 15.92 O ATOM 285 CB LEU A 28 14.859 18.445 -13.008 1.00 15.58 C ATOM 286 CG LEU A 28 15.092 19.934 -13.235 1.00 16.08 C ATOM 287 CD1 LEU A 28 14.205 20.586 -14.327 1.00 15.53 C ATOM 288 CD2 LEU A 28 14.877 20.676 -11.916 1.00 16.18 C ATOM 289 H LEU A 28 15.282 15.731 -12.902 1.00 0.00 H ATOM 290 N GLY A 29 16.847 18.236 -15.797 1.00 16.32 N ATOM 291 CA GLY A 29 18.130 18.632 -16.342 1.00 17.22 C ATOM 292 C GLY A 29 18.396 20.098 -16.031 1.00 18.70 C ATOM 293 O GLY A 29 17.645 21.007 -16.455 1.00 18.06 O ATOM 294 H GLY A 29 16.010 18.348 -16.404 1.00 0.00 H ATOM 295 N VAL A 30 19.464 20.328 -15.280 1.00 19.19 N ATOM 296 CA VAL A 30 19.733 21.640 -14.727 1.00 21.34 C ATOM 297 C VAL A 30 20.691 22.495 -15.579 1.00 21.21 C ATOM 298 O VAL A 30 20.388 23.625 -15.883 1.00 22.42 O ATOM 299 CB VAL A 30 20.156 21.514 -13.246 1.00 22.16 C ATOM 300 CG1 VAL A 30 20.532 22.871 -12.657 1.00 21.51 C ATOM 301 CG2 VAL A 30 18.977 20.931 -12.467 1.00 21.63 C ATOM 302 H VAL A 30 20.124 19.549 -15.083 1.00 0.00 H ATOM 303 N ARG A 31 21.838 21.971 -15.946 1.00 20.31 N ATOM 304 CA ARG A 31 22.811 22.688 -16.786 1.00 18.47 C ATOM 305 C ARG A 31 23.864 21.700 -17.224 1.00 18.18 C ATOM 306 O ARG A 31 24.037 20.678 -16.538 1.00 16.18 O ATOM 307 CB ARG A 31 23.525 23.766 -15.976 1.00 20.13 C ATOM 308 CG ARG A 31 24.402 23.223 -14.849 1.00 20.91 C ATOM 309 CD ARG A 31 25.078 24.386 -14.150 1.00 22.26 C ATOM 310 NE ARG A 31 25.859 23.926 -13.009 1.00 23.81 N ATOM 311 CZ ARG A 31 26.919 23.121 -13.091 1.00 26.23 C ATOM 312 NH1 ARG A 31 27.344 22.653 -14.262 1.00 28.55 N ATOM 313 NH2 ARG A 31 27.549 22.748 -11.990 1.00 28.76 N ATOM 314 HE ARG A 31 25.569 24.248 -12.064 1.00 0.00 H ATOM 315 HH12 ARG A 31 28.173 22.026 -14.302 1.00 0.00 H ATOM 316 HH11 ARG A 31 26.847 22.914 -15.138 1.00 0.00 H ATOM 317 HH22 ARG A 31 28.376 22.120 -12.051 1.00 0.00 H ATOM 318 HH21 ARG A 31 27.218 23.082 -11.063 1.00 0.00 H ATOM 319 H ARG A 31 22.069 21.008 -15.629 1.00 0.00 H ATOM 320 N ASP A 32 24.620 22.013 -18.276 1.00 16.88 N ATOM 321 CA ASP A 32 25.733 21.166 -18.742 1.00 19.45 C ATOM 322 C ASP A 32 25.316 19.676 -18.709 1.00 18.11 C ATOM 323 O ASP A 32 24.352 19.317 -19.350 1.00 16.53 O ATOM 324 CB ASP A 32 27.013 21.432 -17.911 1.00 20.94 C ATOM 325 CG ASP A 32 27.357 22.863 -17.898 1.00 22.64 C ATOM 326 OD1 ASP A 32 27.719 23.384 -18.982 1.00 25.04 O ATOM 327 OD2 ASP A 32 27.162 23.506 -16.834 1.00 25.59 O ATOM 328 H ASP A 32 24.416 22.893 -18.791 1.00 0.00 H ATOM 329 N ARG A 33 25.987 18.824 -17.946 1.00 18.80 N ATOM 330 CA ARG A 33 25.570 17.430 -17.935 1.00 20.79 C ATOM 331 C ARG A 33 24.920 17.037 -16.633 1.00 17.42 C ATOM 332 O ARG A 33 24.840 15.858 -16.289 1.00 16.05 O ATOM 333 CB ARG A 33 26.752 16.494 -18.218 1.00 24.21 C ATOM 334 CG ARG A 33 26.974 16.296 -19.684 1.00 29.28 C ATOM 335 CD ARG A 33 28.282 16.890 -20.143 1.00 34.41 C ATOM 336 NE ARG A 33 28.140 17.112 -21.577 1.00 44.98 N ATOM 337 CZ ARG A 33 28.791 18.024 -22.285 1.00 48.06 C ATOM 338 NH1 ARG A 33 29.705 18.822 -21.723 1.00 47.46 N ATOM 339 NH2 ARG A 33 28.526 18.116 -23.581 1.00 51.01 N ATOM 340 HE ARG A 33 27.470 16.502 -22.088 1.00 0.00 H ATOM 341 HH12 ARG A 33 30.202 19.530 -22.300 1.00 0.00 H ATOM 342 HH11 ARG A 33 29.918 18.735 -20.709 1.00 0.00 H ATOM 343 HH22 ARG A 33 29.020 18.821 -24.164 1.00 0.00 H ATOM 344 HH21 ARG A 33 27.824 17.483 -24.014 1.00 0.00 H ATOM 345 H ARG A 33 26.791 19.144 -17.370 1.00 0.00 H ATOM 346 N LEU A 34 24.478 18.030 -15.912 1.00 15.07 N ATOM 347 CA LEU A 34 24.047 17.855 -14.573 1.00 15.76 C ATOM 348 C LEU A 34 22.528 17.793 -14.529 1.00 15.34 C ATOM 349 O LEU A 34 21.886 18.729 -14.940 1.00 13.72 O ATOM 350 CB LEU A 34 24.497 19.048 -13.774 1.00 16.08 C ATOM 351 CG LEU A 34 24.155 18.859 -12.311 1.00 16.58 C ATOM 352 CD1 LEU A 34 24.968 17.712 -11.712 1.00 16.46 C ATOM 353 CD2 LEU A 34 24.388 20.185 -11.649 1.00 16.47 C ATOM 354 H LEU A 34 24.441 18.980 -16.333 1.00 0.00 H ATOM 355 N ALA A 35 22.012 16.689 -14.006 1.00 15.26 N ATOM 356 CA ALA A 35 20.581 16.465 -13.709 1.00 14.08 C ATOM 357 C ALA A 35 20.340 16.002 -12.280 1.00 13.12 C ATOM 358 O ALA A 35 21.255 15.579 -11.568 1.00 11.94 O ATOM 359 CB ALA A 35 19.968 15.445 -14.664 1.00 14.72 C ATOM 360 H ALA A 35 22.670 15.914 -13.786 1.00 0.00 H ATOM 361 N VAL A 36 19.097 16.130 -11.854 1.00 13.84 N ATOM 362 CA VAL A 36 18.660 15.707 -10.531 1.00 15.50 C ATOM 363 C VAL A 36 17.443 14.767 -10.603 1.00 16.49 C ATOM 364 O VAL A 36 16.528 14.943 -11.447 1.00 15.80 O ATOM 365 CB VAL A 36 18.371 16.934 -9.660 1.00 16.28 C ATOM 366 CG1 VAL A 36 17.231 17.741 -10.192 1.00 17.08 C ATOM 367 CG2 VAL A 36 18.145 16.578 -8.181 1.00 17.51 C ATOM 368 H VAL A 36 18.396 16.554 -12.495 1.00 0.00 H ATOM 369 N LEU A 37 17.492 13.753 -9.722 1.00 16.90 N ATOM 370 CA LEU A 37 16.455 12.753 -9.533 1.00 16.40 C ATOM 371 C LEU A 37 16.145 12.648 -8.033 1.00 16.09 C ATOM 372 O LEU A 37 16.970 12.979 -7.192 1.00 16.24 O ATOM 373 CB LEU A 37 16.929 11.346 -10.013 1.00 17.02 C ATOM 374 CG LEU A 37 16.927 11.019 -11.504 1.00 19.05 C ATOM 375 CD1 LEU A 37 17.643 9.705 -11.753 1.00 20.96 C ATOM 376 CD2 LEU A 37 15.559 10.939 -12.151 1.00 19.41 C ATOM 377 H LEU A 37 18.342 13.678 -9.127 1.00 0.00 H ATOM 378 N PRO A 38 14.971 12.115 -7.688 1.00 16.60 N ATOM 379 CA PRO A 38 14.744 11.721 -6.292 1.00 17.82 C ATOM 380 C PRO A 38 15.690 10.619 -5.927 1.00 18.82 C ATOM 381 O PRO A 38 15.948 9.723 -6.763 1.00 20.77 O ATOM 382 CB PRO A 38 13.302 11.195 -6.278 1.00 16.64 C ATOM 383 CG PRO A 38 12.706 11.646 -7.554 1.00 17.06 C ATOM 384 CD PRO A 38 13.842 11.754 -8.545 1.00 16.61 C ATOM 385 N ARG A 39 16.189 10.666 -4.702 1.00 21.10 N ATOM 386 CA ARG A 39 17.130 9.672 -4.207 1.00 21.86 C ATOM 387 C ARG A 39 16.633 8.253 -4.309 1.00 22.19 C ATOM 388 O ARG A 39 17.404 7.354 -4.710 1.00 23.80 O ATOM 389 CB ARG A 39 17.534 9.953 -2.769 1.00 24.83 C ATOM 390 CG ARG A 39 18.717 9.085 -2.336 1.00 25.49 C ATOM 391 CD ARG A 39 18.734 8.804 -0.849 1.00 28.42 C ATOM 392 NE ARG A 39 17.389 8.472 -0.380 1.00 32.23 N ATOM 393 CZ ARG A 39 16.864 7.243 -0.318 1.00 35.92 C ATOM 394 NH1 ARG A 39 17.576 6.166 -0.693 1.00 37.62 N ATOM 395 NH2 ARG A 39 15.607 7.097 0.119 1.00 33.61 N ATOM 396 HE ARG A 39 16.788 9.261 -0.067 1.00 0.00 H ATOM 397 HH12 ARG A 39 17.152 5.218 -0.638 1.00 0.00 H ATOM 398 HH11 ARG A 39 18.550 6.281 -1.038 1.00 0.00 H ATOM 399 HH22 ARG A 39 15.182 6.149 0.174 1.00 0.00 H ATOM 400 HH21 ARG A 39 15.055 7.931 0.404 1.00 0.00 H ATOM 401 H ARG A 39 15.899 11.440 -4.071 1.00 0.00 H ATOM 402 N HIS A 40 15.366 8.028 -3.972 1.00 18.88 N ATOM 403 CA HIS A 40 14.835 6.678 -3.955 1.00 16.67 C ATOM 404 C HIS A 40 14.742 6.053 -5.338 1.00 15.64 C ATOM 405 O HIS A 40 14.573 4.875 -5.431 1.00 14.19 O ATOM 406 CB HIS A 40 13.481 6.600 -3.232 1.00 16.24 C ATOM 407 CG HIS A 40 12.394 7.398 -3.872 1.00 16.01 C ATOM 408 ND1 HIS A 40 12.027 8.652 -3.420 1.00 15.99 N ATOM 409 CD2 HIS A 40 11.563 7.110 -4.897 1.00 15.22 C ATOM 410 CE1 HIS A 40 11.032 9.112 -4.150 1.00 15.69 C ATOM 411 NE2 HIS A 40 10.734 8.197 -5.055 1.00 17.06 N ATOM 412 H HIS A 40 14.751 8.827 -3.718 1.00 0.00 H ATOM 413 N SER A 41 14.878 6.820 -6.416 1.00 16.93 N ATOM 414 CA SER A 41 15.027 6.191 -7.757 1.00 17.67 C ATOM 415 C SER A 41 16.270 5.280 -7.940 1.00 18.75 C ATOM 416 O SER A 41 16.311 4.477 -8.889 1.00 17.75 O ATOM 417 CB SER A 41 14.987 7.217 -8.885 1.00 18.50 C ATOM 418 OG SER A 41 16.194 7.935 -9.007 1.00 17.68 O ATOM 419 HG SER A 41 16.376 8.418 -8.162 1.00 0.00 H ATOM 420 H SER A 41 14.880 7.856 -6.322 1.00 0.00 H ATOM 421 N GLN A 42 17.289 5.439 -7.078 1.00 20.15 N ATOM 422 CA GLN A 42 18.514 4.569 -7.093 1.00 20.97 C ATOM 423 C GLN A 42 19.106 4.314 -8.485 1.00 18.92 C ATOM 424 O GLN A 42 19.238 3.164 -8.921 1.00 19.25 O ATOM 425 CB GLN A 42 18.258 3.241 -6.403 1.00 22.84 C ATOM 426 CG GLN A 42 17.384 3.316 -5.153 1.00 26.72 C ATOM 427 CD GLN A 42 18.089 3.764 -3.870 1.00 31.84 C ATOM 428 OE1 GLN A 42 19.030 4.575 -3.872 1.00 34.96 O ATOM 429 NE2 GLN A 42 17.592 3.253 -2.732 1.00 38.91 N ATOM 430 HE22 GLN A 42 16.803 2.576 -2.767 1.00 0.00 H ATOM 431 HE21 GLN A 42 17.996 3.534 -1.816 1.00 0.00 H ATOM 432 H GLN A 42 17.227 6.198 -6.369 1.00 0.00 H ATOM 433 N PRO A 43 19.503 5.386 -9.179 1.00 20.28 N ATOM 434 CA PRO A 43 20.086 5.254 -10.513 1.00 19.30 C ATOM 435 C PRO A 43 21.358 4.506 -10.423 1.00 18.97 C ATOM 436 O PRO A 43 22.070 4.630 -9.464 1.00 17.17 O ATOM 437 CB PRO A 43 20.370 6.691 -10.923 1.00 19.59 C ATOM 438 CG PRO A 43 20.433 7.469 -9.688 1.00 19.12 C ATOM 439 CD PRO A 43 19.582 6.781 -8.685 1.00 19.74 C ATOM 440 N GLY A 44 21.590 3.645 -11.393 1.00 22.03 N ATOM 441 CA GLY A 44 22.735 2.782 -11.381 1.00 20.92 C ATOM 442 C GLY A 44 23.812 3.398 -12.223 1.00 22.13 C ATOM 443 O GLY A 44 24.019 4.626 -12.179 1.00 20.40 O ATOM 444 H GLY A 44 20.924 3.590 -12.190 1.00 0.00 H ATOM 445 N LYS A 45 24.477 2.550 -13.011 1.00 22.05 N ATOM 446 CA LYS A 45 25.618 2.952 -13.819 1.00 23.29 C ATOM 447 C LYS A 45 25.140 3.460 -15.159 1.00 22.53 C ATOM 448 O LYS A 45 25.875 4.209 -15.858 1.00 21.04 O ATOM 449 CB LYS A 45 26.578 1.786 -14.016 1.00 26.42 C ATOM 450 CG LYS A 45 27.044 1.139 -12.712 1.00 29.53 C ATOM 451 CD LYS A 45 27.814 2.094 -11.817 1.00 33.21 C ATOM 452 CE LYS A 45 27.446 1.947 -10.346 1.00 37.31 C ATOM 453 NZ LYS A 45 27.506 3.280 -9.665 1.00 38.07 N ATOM 454 HZ1 LYS A 45 28.470 3.663 -9.740 1.00 0.00 H ATOM 455 HZ2 LYS A 45 26.836 3.932 -10.122 1.00 0.00 H ATOM 456 HZ3 LYS A 45 27.253 3.167 -8.662 1.00 0.00 H ATOM 457 H LYS A 45 24.166 1.558 -13.049 1.00 0.00 H ATOM 458 N THR A 46 23.925 3.023 -15.516 1.00 19.61 N ATOM 459 CA THR A 46 23.190 3.522 -16.702 1.00 18.88 C ATOM 460 C THR A 46 21.798 3.861 -16.244 1.00 16.45 C ATOM 461 O THR A 46 21.356 3.365 -15.228 1.00 16.09 O ATOM 462 CB THR A 46 23.023 2.473 -17.805 1.00 18.73 C ATOM 463 OG1 THR A 46 22.334 1.338 -17.260 1.00 17.58 O ATOM 464 CG2 THR A 46 24.379 2.091 -18.413 1.00 20.68 C ATOM 465 HG1 THR A 46 21.446 1.621 -16.927 1.00 0.00 H ATOM 466 H THR A 46 23.473 2.294 -14.929 1.00 0.00 H ATOM 467 N ILE A 47 21.140 4.735 -16.977 1.00 16.39 N ATOM 468 CA ILE A 47 19.759 5.077 -16.747 1.00 16.25 C ATOM 469 C ILE A 47 19.176 5.189 -18.120 1.00 17.00 C ATOM 470 O ILE A 47 19.847 5.689 -19.038 1.00 17.26 O ATOM 471 CB ILE A 47 19.623 6.422 -15.952 1.00 16.12 C ATOM 472 CG1 ILE A 47 18.149 6.778 -15.708 1.00 15.89 C ATOM 473 CG2 ILE A 47 20.390 7.536 -16.616 1.00 15.61 C ATOM 474 CD1 ILE A 47 17.960 7.967 -14.796 1.00 16.18 C ATOM 475 H ILE A 47 21.641 5.201 -17.760 1.00 0.00 H ATOM 476 N TRP A 48 17.951 4.712 -18.300 1.00 16.85 N ATOM 477 CA TRP A 48 17.263 4.902 -19.569 1.00 18.33 C ATOM 478 C TRP A 48 16.702 6.331 -19.678 1.00 17.94 C ATOM 479 O TRP A 48 15.980 6.771 -18.822 1.00 18.96 O ATOM 480 CB TRP A 48 16.160 3.877 -19.690 1.00 19.61 C ATOM 481 CG TRP A 48 15.409 3.922 -20.993 1.00 21.00 C ATOM 482 CD1 TRP A 48 14.175 4.477 -21.188 1.00 21.02 C ATOM 483 CD2 TRP A 48 15.821 3.398 -22.265 1.00 20.82 C ATOM 484 NE1 TRP A 48 13.783 4.307 -22.499 1.00 22.59 N ATOM 485 CE2 TRP A 48 14.784 3.676 -23.187 1.00 21.50 C ATOM 486 CE3 TRP A 48 16.954 2.720 -22.717 1.00 22.01 C ATOM 487 CZ2 TRP A 48 14.843 3.300 -24.522 1.00 21.35 C ATOM 488 CZ3 TRP A 48 17.015 2.352 -24.075 1.00 21.80 C ATOM 489 CH2 TRP A 48 15.963 2.652 -24.950 1.00 22.67 C ATOM 490 HE1 TRP A 48 12.873 4.610 -22.901 1.00 0.00 H ATOM 491 H TRP A 48 17.479 4.198 -17.529 1.00 0.00 H ATOM 492 N ILE A 49 17.039 7.069 -20.717 1.00 18.61 N ATOM 493 CA ILE A 49 16.552 8.446 -20.852 1.00 19.38 C ATOM 494 C ILE A 49 15.912 8.626 -22.197 1.00 20.57 C ATOM 495 O ILE A 49 16.550 8.467 -23.242 1.00 19.04 O ATOM 496 CB ILE A 49 17.606 9.533 -20.640 1.00 20.16 C ATOM 497 CG1 ILE A 49 18.302 9.342 -19.289 1.00 19.67 C ATOM 498 CG2 ILE A 49 16.927 10.916 -20.690 1.00 19.90 C ATOM 499 CD1 ILE A 49 19.416 10.340 -19.063 1.00 19.99 C ATOM 500 H ILE A 49 17.658 6.670 -21.451 1.00 0.00 H ATOM 501 N GLU A 50 14.619 8.923 -22.097 1.00 23.65 N ATOM 502 CA GLU A 50 13.605 8.838 -23.166 1.00 26.32 C ATOM 503 C GLU A 50 13.634 7.668 -24.115 1.00 27.28 C ATOM 504 O GLU A 50 12.699 6.839 -24.122 1.00 23.31 O ATOM 505 CB GLU A 50 13.575 10.097 -24.008 1.00 26.53 C ATOM 506 CG GLU A 50 12.299 10.864 -23.797 1.00 30.03 C ATOM 507 CD GLU A 50 12.663 12.163 -23.219 1.00 30.51 C ATOM 508 OE1 GLU A 50 13.762 12.619 -23.593 1.00 36.34 O ATOM 509 OE2 GLU A 50 11.925 12.678 -22.390 1.00 26.10 O ATOM 510 H GLU A 50 14.288 9.250 -21.167 1.00 0.00 H ATOM 511 N HIS A 51 14.656 7.625 -24.967 1.00 27.03 N ATOM 512 CA HIS A 51 14.700 6.510 -25.940 1.00 32.34 C ATOM 513 C HIS A 51 16.057 5.870 -26.023 1.00 27.43 C ATOM 514 O HIS A 51 16.335 5.192 -26.984 1.00 25.39 O ATOM 515 CB HIS A 51 14.228 6.969 -27.340 1.00 36.13 C ATOM 516 CG HIS A 51 12.854 7.580 -27.346 1.00 42.83 C ATOM 517 ND1 HIS A 51 11.723 6.878 -26.981 1.00 44.63 N ATOM 518 CD2 HIS A 51 12.430 8.827 -27.669 1.00 44.05 C ATOM 519 CE1 HIS A 51 10.668 7.666 -27.070 1.00 41.64 C ATOM 520 NE2 HIS A 51 11.068 8.852 -27.487 1.00 44.54 N ATOM 521 H HIS A 51 15.400 8.352 -24.950 1.00 0.00 H ATOM 522 N LYS A 52 16.897 6.067 -25.004 1.00 26.67 N ATOM 523 CA LYS A 52 18.197 5.440 -25.007 1.00 26.88 C ATOM 524 C LYS A 52 18.894 5.325 -23.659 1.00 25.35 C ATOM 525 O LYS A 52 18.670 6.120 -22.745 1.00 23.40 O ATOM 526 CB LYS A 52 19.087 6.153 -25.991 1.00 27.87 C ATOM 527 CG LYS A 52 19.637 7.451 -25.515 1.00 29.55 C ATOM 528 CD LYS A 52 21.073 7.543 -25.991 1.00 31.57 C ATOM 529 CE LYS A 52 21.149 7.809 -27.473 1.00 33.35 C ATOM 530 NZ LYS A 52 21.440 9.253 -27.654 1.00 34.51 N ATOM 531 HZ1 LYS A 52 20.679 9.815 -27.222 1.00 0.00 H ATOM 532 HZ2 LYS A 52 22.345 9.483 -27.196 1.00 0.00 H ATOM 533 HZ3 LYS A 52 21.499 9.469 -28.670 1.00 0.00 H ATOM 534 H LYS A 52 16.614 6.673 -24.207 1.00 0.00 H ATOM 535 N LEU A 53 19.758 4.327 -23.562 1.00 22.62 N ATOM 536 CA LEU A 53 20.509 4.070 -22.336 1.00 22.61 C ATOM 537 C LEU A 53 21.683 5.014 -22.246 1.00 22.91 C ATOM 538 O LEU A 53 22.534 5.026 -23.131 1.00 23.07 O ATOM 539 CB LEU A 53 21.015 2.638 -22.323 1.00 22.53 C ATOM 540 CG LEU A 53 21.337 2.064 -20.966 1.00 24.46 C ATOM 541 CD1 LEU A 53 20.190 2.246 -19.958 1.00 24.15 C ATOM 542 CD2 LEU A 53 21.697 0.605 -21.181 1.00 25.15 C ATOM 543 H LEU A 53 19.907 3.707 -24.384 1.00 0.00 H ATOM 544 N VAL A 54 21.735 5.772 -21.155 1.00 21.36 N ATOM 545 CA VAL A 54 22.734 6.791 -20.932 1.00 20.25 C ATOM 546 C VAL A 54 23.622 6.384 -19.758 1.00 21.25 C ATOM 547 O VAL A 54 23.159 5.951 -18.724 1.00 22.54 O ATOM 548 CB VAL A 54 22.035 8.133 -20.699 1.00 19.99 C ATOM 549 CG1 VAL A 54 23.045 9.241 -20.433 1.00 20.94 C ATOM 550 CG2 VAL A 54 21.173 8.475 -21.919 1.00 20.30 C ATOM 551 H VAL A 54 21.015 5.623 -20.420 1.00 0.00 H ATOM 552 N ASN A 55 24.918 6.504 -19.951 1.00 23.03 N ATOM 553 CA ASN A 55 25.896 6.214 -18.932 1.00 22.10 C ATOM 554 C ASN A 55 25.920 7.300 -17.908 1.00 19.64 C ATOM 555 O ASN A 55 25.917 8.482 -18.252 1.00 19.98 O ATOM 556 CB ASN A 55 27.286 6.059 -19.572 1.00 24.12 C ATOM 557 CG ASN A 55 27.331 4.895 -20.507 1.00 30.03 C ATOM 558 OD1 ASN A 55 26.645 3.916 -20.262 1.00 40.13 O ATOM 559 ND2 ASN A 55 28.116 4.977 -21.587 1.00 33.35 N ATOM 560 HD22 ASN A 55 28.683 5.833 -21.754 1.00 0.00 H ATOM 561 HD21 ASN A 55 28.159 4.185 -22.260 1.00 0.00 H ATOM 562 H ASN A 55 25.253 6.823 -20.883 1.00 0.00 H ATOM 563 N ILE A 56 25.920 6.910 -16.638 1.00 18.40 N ATOM 564 CA ILE A 56 26.031 7.849 -15.544 1.00 17.78 C ATOM 565 C ILE A 56 27.460 7.888 -15.078 1.00 18.54 C ATOM 566 O ILE A 56 27.998 6.873 -14.685 1.00 18.44 O ATOM 567 CB ILE A 56 25.158 7.492 -14.350 1.00 16.80 C ATOM 568 CG1 ILE A 56 23.676 7.615 -14.760 1.00 16.73 C ATOM 569 CG2 ILE A 56 25.572 8.358 -13.140 1.00 16.06 C ATOM 570 CD1 ILE A 56 22.696 7.303 -13.678 1.00 16.51 C ATOM 571 H ILE A 56 25.837 5.896 -16.424 1.00 0.00 H ATOM 572 N LEU A 57 28.064 9.058 -15.136 1.00 18.06 N ATOM 573 CA LEU A 57 29.482 9.219 -14.814 1.00 19.22 C ATOM 574 C LEU A 57 29.674 9.387 -13.294 1.00 20.29 C ATOM 575 O LEU A 57 30.672 8.997 -12.736 1.00 19.33 O ATOM 576 CB LEU A 57 30.032 10.448 -15.563 1.00 19.74 C ATOM 577 CG LEU A 57 30.168 10.161 -17.052 1.00 20.47 C ATOM 578 CD1 LEU A 57 30.607 11.411 -17.802 1.00 19.51 C ATOM 579 CD2 LEU A 57 31.165 9.033 -17.251 1.00 21.63 C ATOM 580 H LEU A 57 27.515 9.894 -15.420 1.00 0.00 H ATOM 581 N ASP A 58 28.724 10.019 -12.625 1.00 20.81 N ATOM 582 CA ASP A 58 28.818 10.140 -11.208 1.00 21.32 C ATOM 583 C ASP A 58 27.481 10.384 -10.609 1.00 19.19 C ATOM 584 O ASP A 58 26.606 10.896 -11.283 1.00 17.94 O ATOM 585 CB ASP A 58 29.730 11.276 -10.846 1.00 27.05 C ATOM 586 CG ASP A 58 30.335 11.057 -9.535 1.00 31.85 C ATOM 587 OD1 ASP A 58 30.811 9.914 -9.297 1.00 37.08 O ATOM 588 OD2 ASP A 58 30.270 11.983 -8.719 1.00 35.15 O ATOM 589 H ASP A 58 27.912 10.426 -13.131 1.00 0.00 H ATOM 590 N ALA A 59 27.335 10.016 -9.341 1.00 17.42 N ATOM 591 CA ALA A 59 26.078 10.206 -8.600 1.00 18.74 C ATOM 592 C ALA A 59 26.402 10.713 -7.193 1.00 20.59 C ATOM 593 O ALA A 59 27.321 10.183 -6.544 1.00 22.20 O ATOM 594 CB ALA A 59 25.254 8.890 -8.571 1.00 17.43 C ATOM 595 H ALA A 59 28.141 9.576 -8.853 1.00 0.00 H ATOM 596 N VAL A 60 25.737 11.799 -6.785 1.00 20.02 N ATOM 597 CA VAL A 60 25.918 12.405 -5.479 1.00 21.77 C ATOM 598 C VAL A 60 24.536 12.463 -4.775 1.00 21.52 C ATOM 599 O VAL A 60 23.622 13.140 -5.224 1.00 21.44 O ATOM 600 CB VAL A 60 26.658 13.770 -5.589 1.00 21.27 C ATOM 601 CG1 VAL A 60 26.712 14.547 -4.264 1.00 20.02 C ATOM 602 CG2 VAL A 60 28.068 13.529 -6.126 1.00 20.87 C ATOM 603 H VAL A 60 25.054 12.232 -7.438 1.00 0.00 H ATOM 604 N GLU A 61 24.398 11.688 -3.697 1.00 22.84 N ATOM 605 CA GLU A 61 23.198 11.703 -2.818 1.00 23.47 C ATOM 606 C GLU A 61 23.325 12.831 -1.809 1.00 23.28 C ATOM 607 O GLU A 61 24.335 12.927 -1.065 1.00 22.87 O ATOM 608 CB GLU A 61 23.000 10.347 -2.133 1.00 26.17 C ATOM 609 CG GLU A 61 22.926 9.189 -3.135 1.00 27.34 C ATOM 610 CD GLU A 61 22.380 7.890 -2.571 1.00 29.57 C ATOM 611 OE1 GLU A 61 22.125 7.800 -1.364 1.00 32.10 O ATOM 612 OE2 GLU A 61 22.173 6.955 -3.370 1.00 32.17 O ATOM 613 H GLU A 61 25.173 11.037 -3.458 1.00 0.00 H ATOM 614 N LEU A 62 22.379 13.771 -1.832 1.00 21.35 N ATOM 615 CA LEU A 62 22.557 14.985 -1.005 1.00 19.86 C ATOM 616 C LEU A 62 22.066 14.762 0.457 1.00 22.00 C ATOM 617 O LEU A 62 20.948 14.286 0.691 1.00 20.75 O ATOM 618 CB LEU A 62 21.896 16.213 -1.680 1.00 19.50 C ATOM 619 CG LEU A 62 22.352 16.563 -3.095 1.00 19.09 C ATOM 620 CD1 LEU A 62 21.522 17.725 -3.637 1.00 21.16 C ATOM 621 CD2 LEU A 62 23.863 16.885 -3.127 1.00 19.40 C ATOM 622 H LEU A 62 21.530 13.653 -2.421 1.00 0.00 H ATOM 623 N VAL A 63 22.932 15.058 1.433 1.00 23.26 N ATOM 624 CA VAL A 63 22.544 15.054 2.863 1.00 21.99 C ATOM 625 C VAL A 63 22.799 16.412 3.441 1.00 21.98 C ATOM 626 O VAL A 63 23.520 17.214 2.855 1.00 24.51 O ATOM 627 CB VAL A 63 23.255 13.976 3.709 1.00 21.76 C ATOM 628 CG1 VAL A 63 22.815 12.578 3.255 1.00 22.39 C ATOM 629 CG2 VAL A 63 24.782 14.098 3.703 1.00 21.93 C ATOM 630 H VAL A 63 23.911 15.299 1.179 1.00 0.00 H ATOM 631 N ASP A 64 22.175 16.707 4.565 1.00 21.47 N ATOM 632 CA ASP A 64 22.472 17.977 5.220 1.00 24.53 C ATOM 633 C ASP A 64 23.617 17.811 6.231 1.00 27.81 C ATOM 634 O ASP A 64 24.311 16.796 6.206 1.00 27.34 O ATOM 635 CB ASP A 64 21.217 18.589 5.852 1.00 24.70 C ATOM 636 CG ASP A 64 20.795 17.900 7.119 1.00 24.97 C ATOM 637 OD1 ASP A 64 21.381 16.875 7.532 1.00 22.79 O ATOM 638 OD2 ASP A 64 19.807 18.370 7.689 1.00 30.23 O ATOM 639 H ASP A 64 21.485 16.047 4.977 1.00 0.00 H ATOM 640 N GLU A 65 23.823 18.821 7.084 1.00 31.81 N ATOM 641 CA GLU A 65 24.899 18.816 8.092 1.00 31.69 C ATOM 642 C GLU A 65 24.678 17.776 9.146 1.00 31.48 C ATOM 643 O GLU A 65 25.613 17.227 9.682 1.00 34.91 O ATOM 644 CB GLU A 65 24.981 20.160 8.821 1.00 36.40 C ATOM 645 CG GLU A 65 24.178 20.209 10.150 1.00 40.32 C ATOM 646 CD GLU A 65 22.757 20.769 10.032 1.00 42.82 C ATOM 647 OE1 GLU A 65 22.463 21.478 9.050 1.00 50.79 O ATOM 648 OE2 GLU A 65 21.928 20.556 10.946 1.00 44.41 O ATOM 649 H GLU A 65 23.195 19.648 7.034 1.00 0.00 H ATOM 650 N GLN A 66 23.439 17.520 9.502 1.00 31.64 N ATOM 651 CA GLN A 66 23.206 16.479 10.477 1.00 32.18 C ATOM 652 C GLN A 66 23.317 15.109 9.832 1.00 27.97 C ATOM 653 O GLN A 66 23.050 14.125 10.471 1.00 33.29 O ATOM 654 CB GLN A 66 21.830 16.623 11.095 1.00 35.22 C ATOM 655 CG GLN A 66 21.543 17.976 11.708 1.00 38.15 C ATOM 656 CD GLN A 66 20.047 18.272 11.656 1.00 41.98 C ATOM 657 OE1 GLN A 66 19.253 17.619 12.355 1.00 38.10 O ATOM 658 NE2 GLN A 66 19.648 19.245 10.811 1.00 43.60 N ATOM 659 HE22 GLN A 66 20.351 19.764 10.247 1.00 0.00 H ATOM 660 HE21 GLN A 66 18.638 19.476 10.724 1.00 0.00 H ATOM 661 H GLN A 66 22.646 18.053 9.092 1.00 0.00 H ATOM 662 N GLY A 67 23.666 15.032 8.557 1.00 25.24 N ATOM 663 CA GLY A 67 23.728 13.750 7.862 1.00 24.23 C ATOM 664 C GLY A 67 22.371 13.182 7.478 1.00 22.31 C ATOM 665 O GLY A 67 22.255 12.001 7.163 1.00 23.35 O ATOM 666 H GLY A 67 23.901 15.903 8.040 1.00 0.00 H ATOM 667 N VAL A 68 21.347 14.010 7.487 1.00 20.51 N ATOM 668 CA VAL A 68 20.014 13.521 7.202 1.00 22.56 C ATOM 669 C VAL A 68 19.744 13.649 5.679 1.00 21.97 C ATOM 670 O VAL A 68 20.125 14.614 5.055 1.00 21.31 O ATOM 671 CB VAL A 68 18.970 14.268 8.042 1.00 22.92 C ATOM 672 CG1 VAL A 68 17.551 13.816 7.706 1.00 24.74 C ATOM 673 CG2 VAL A 68 19.282 14.097 9.531 1.00 21.66 C ATOM 674 H VAL A 68 21.496 15.017 7.699 1.00 0.00 H ATOM 675 N ASN A 69 19.137 12.605 5.127 1.00 20.28 N ATOM 676 CA ASN A 69 18.614 12.572 3.776 1.00 20.09 C ATOM 677 C ASN A 69 17.887 13.803 3.291 1.00 18.60 C ATOM 678 O ASN A 69 16.968 14.280 3.923 1.00 17.42 O ATOM 679 CB ASN A 69 17.657 11.410 3.671 1.00 20.40 C ATOM 680 CG ASN A 69 17.074 11.264 2.291 1.00 20.56 C ATOM 681 OD1 ASN A 69 17.788 11.290 1.296 1.00 18.74 O ATOM 682 ND2 ASN A 69 15.763 11.096 2.228 1.00 19.73 N ATOM 683 HD22 ASN A 69 15.198 11.081 3.101 1.00 0.00 H ATOM 684 HD21 ASN A 69 15.297 10.979 1.305 1.00 0.00 H ATOM 685 H ASN A 69 19.029 11.748 5.707 1.00 0.00 H ATOM 686 N LEU A 70 18.305 14.300 2.122 1.00 20.13 N ATOM 687 CA LEU A 70 17.583 15.361 1.451 1.00 19.01 C ATOM 688 C LEU A 70 16.772 14.839 0.277 1.00 18.05 C ATOM 689 O LEU A 70 15.995 15.602 -0.331 1.00 15.30 O ATOM 690 CB LEU A 70 18.516 16.495 1.013 1.00 21.81 C ATOM 691 CG LEU A 70 19.227 17.162 2.205 1.00 21.77 C ATOM 692 CD1 LEU A 70 20.137 18.268 1.721 1.00 21.58 C ATOM 693 CD2 LEU A 70 18.196 17.650 3.228 1.00 22.85 C ATOM 694 H LEU A 70 19.167 13.916 1.685 1.00 0.00 H ATOM 695 N GLU A 71 16.920 13.541 -0.023 1.00 15.98 N ATOM 696 CA GLU A 71 16.130 12.905 -1.068 1.00 15.31 C ATOM 697 C GLU A 71 16.408 13.428 -2.485 1.00 15.48 C ATOM 698 O GLU A 71 15.576 13.353 -3.397 1.00 14.93 O ATOM 699 CB GLU A 71 14.631 12.902 -0.720 1.00 15.74 C ATOM 700 CG GLU A 71 13.772 11.957 -1.528 1.00 16.06 C ATOM 701 CD GLU A 71 14.209 10.501 -1.466 1.00 17.12 C ATOM 702 OE1 GLU A 71 14.721 10.022 -0.426 1.00 17.07 O ATOM 703 OE2 GLU A 71 14.021 9.812 -2.483 1.00 16.22 O ATOM 704 H GLU A 71 17.616 12.975 0.503 1.00 0.00 H ATOM 705 N LEU A 72 17.656 13.819 -2.721 1.00 15.19 N ATOM 706 CA LEU A 72 18.038 14.202 -4.036 1.00 14.35 C ATOM 707 C LEU A 72 19.320 13.554 -4.391 1.00 14.60 C ATOM 708 O LEU A 72 20.196 13.447 -3.565 1.00 15.42 O ATOM 709 CB LEU A 72 18.197 15.726 -4.108 1.00 14.44 C ATOM 710 CG LEU A 72 16.876 16.503 -3.914 1.00 14.18 C ATOM 711 CD1 LEU A 72 17.162 17.969 -3.661 1.00 15.42 C ATOM 712 CD2 LEU A 72 15.952 16.374 -5.122 1.00 13.46 C ATOM 713 H LEU A 72 18.350 13.845 -1.947 1.00 0.00 H ATOM 714 N THR A 73 19.400 13.126 -5.648 1.00 14.85 N ATOM 715 CA THR A 73 20.613 12.654 -6.225 1.00 15.57 C ATOM 716 C THR A 73 20.996 13.465 -7.478 1.00 15.82 C ATOM 717 O THR A 73 20.248 13.586 -8.476 1.00 14.59 O ATOM 718 CB THR A 73 20.511 11.149 -6.503 1.00 15.49 C ATOM 719 OG1 THR A 73 20.216 10.497 -5.260 1.00 16.79 O ATOM 720 CG2 THR A 73 21.782 10.609 -7.016 1.00 15.04 C ATOM 721 HG1 THR A 73 20.144 9.521 -5.410 1.00 0.00 H ATOM 722 H THR A 73 18.541 13.137 -6.234 1.00 0.00 H ATOM 723 N LEU A 74 22.191 14.001 -7.404 1.00 17.15 N ATOM 724 CA LEU A 74 22.794 14.706 -8.516 1.00 19.84 C ATOM 725 C LEU A 74 23.514 13.687 -9.382 1.00 18.60 C ATOM 726 O LEU A 74 24.290 12.892 -8.879 1.00 18.91 O ATOM 727 CB LEU A 74 23.816 15.718 -8.029 1.00 20.80 C ATOM 728 CG LEU A 74 23.287 17.110 -7.724 1.00 22.68 C ATOM 729 CD1 LEU A 74 22.011 17.042 -6.939 1.00 25.63 C ATOM 730 CD2 LEU A 74 24.329 17.919 -6.992 1.00 22.14 C ATOM 731 H LEU A 74 22.724 13.917 -6.515 1.00 0.00 H ATOM 732 N ILE A 75 23.271 13.740 -10.684 1.00 18.40 N ATOM 733 CA ILE A 75 23.942 12.837 -11.635 1.00 17.97 C ATOM 734 C ILE A 75 24.540 13.594 -12.816 1.00 17.42 C ATOM 735 O ILE A 75 23.942 14.515 -13.367 1.00 17.30 O ATOM 736 CB ILE A 75 22.991 11.740 -12.126 1.00 17.58 C ATOM 737 CG1 ILE A 75 21.830 12.351 -12.909 1.00 18.21 C ATOM 738 CG2 ILE A 75 22.468 10.948 -10.927 1.00 17.86 C ATOM 739 CD1 ILE A 75 20.851 11.382 -13.516 1.00 17.41 C ATOM 740 H ILE A 75 22.589 14.438 -11.044 1.00 0.00 H ATOM 741 N THR A 76 25.771 13.231 -13.136 1.00 17.49 N ATOM 742 CA THR A 76 26.475 13.724 -14.279 1.00 16.42 C ATOM 743 C THR A 76 26.380 12.678 -15.369 1.00 16.48 C ATOM 744 O THR A 76 26.691 11.520 -15.157 1.00 15.74 O ATOM 745 CB THR A 76 27.916 13.953 -13.926 1.00 16.56 C ATOM 746 OG1 THR A 76 27.935 14.718 -12.747 1.00 18.75 O ATOM 747 CG2 THR A 76 28.636 14.734 -15.023 1.00 17.25 C ATOM 748 HG1 THR A 76 27.473 14.222 -12.026 1.00 0.00 H ATOM 749 H THR A 76 26.255 12.547 -12.520 1.00 0.00 H ATOM 750 N LEU A 77 25.874 13.091 -16.529 1.00 16.91 N ATOM 751 CA LEU A 77 25.598 12.197 -17.628 1.00 16.72 C ATOM 752 C LEU A 77 26.735 12.220 -18.667 1.00 17.52 C ATOM 753 O LEU A 77 27.408 13.265 -18.873 1.00 15.40 O ATOM 754 CB LEU A 77 24.305 12.666 -18.304 1.00 17.05 C ATOM 755 CG LEU A 77 23.104 12.764 -17.380 1.00 17.23 C ATOM 756 CD1 LEU A 77 21.922 13.205 -18.199 1.00 17.35 C ATOM 757 CD2 LEU A 77 22.820 11.376 -16.780 1.00 17.26 C ATOM 758 H LEU A 77 25.668 14.103 -16.649 1.00 0.00 H ATOM 759 N ASP A 78 26.934 11.080 -19.341 1.00 16.53 N ATOM 760 CA ASP A 78 27.877 10.999 -20.465 1.00 18.29 C ATOM 761 C ASP A 78 27.077 11.249 -21.732 1.00 20.84 C ATOM 762 O ASP A 78 26.508 10.331 -22.313 1.00 22.78 O ATOM 763 CB ASP A 78 28.506 9.603 -20.494 1.00 18.36 C ATOM 764 CG ASP A 78 29.477 9.398 -21.617 1.00 17.54 C ATOM 765 OD1 ASP A 78 29.807 10.323 -22.376 1.00 15.57 O ATOM 766 OD2 ASP A 78 29.941 8.260 -21.716 1.00 17.39 O ATOM 767 H ASP A 78 26.407 10.228 -19.061 1.00 0.00 H ATOM 768 N THR A 79 26.999 12.503 -22.136 1.00 22.76 N ATOM 769 CA THR A 79 26.276 12.909 -23.336 1.00 24.56 C ATOM 770 C THR A 79 26.908 14.178 -23.906 1.00 24.84 C ATOM 771 O THR A 79 27.595 14.912 -23.216 1.00 26.69 O ATOM 772 CB THR A 79 24.815 13.315 -23.047 1.00 25.54 C ATOM 773 OG1 THR A 79 24.816 14.306 -22.018 1.00 24.09 O ATOM 774 CG2 THR A 79 23.985 12.119 -22.606 1.00 28.39 C ATOM 775 HG1 THR A 79 25.333 15.094 -22.321 1.00 0.00 H ATOM 776 H THR A 79 27.475 13.236 -21.572 1.00 0.00 H ATOM 777 N ASN A 80 26.600 14.437 -25.167 1.00 26.41 N ATOM 778 CA ASN A 80 26.985 15.645 -25.858 1.00 27.08 C ATOM 779 C ASN A 80 26.068 16.817 -25.519 1.00 29.74 C ATOM 780 O ASN A 80 26.499 17.962 -25.547 1.00 36.29 O ATOM 781 CB ASN A 80 26.852 15.398 -27.347 1.00 28.14 C ATOM 782 CG ASN A 80 27.673 14.234 -27.810 1.00 25.93 C ATOM 783 OD1 ASN A 80 27.205 13.391 -28.578 1.00 32.81 O ATOM 784 ND2 ASN A 80 28.896 14.177 -27.353 1.00 24.61 N ATOM 785 HD22 ASN A 80 29.244 14.913 -26.707 1.00 0.00 H ATOM 786 HD21 ASN A 80 29.521 13.395 -27.636 1.00 0.00 H ATOM 787 H ASN A 80 26.048 13.728 -25.691 1.00 0.00 H ATOM 788 N GLU A 81 24.800 16.550 -25.220 1.00 30.76 N ATOM 789 CA GLU A 81 23.878 17.639 -24.876 1.00 28.58 C ATOM 790 C GLU A 81 24.350 18.390 -23.653 1.00 26.24 C ATOM 791 O GLU A 81 24.883 17.802 -22.743 1.00 27.94 O ATOM 792 CB GLU A 81 22.479 17.115 -24.594 1.00 28.29 C ATOM 793 CG GLU A 81 21.514 18.252 -24.317 1.00 28.03 C ATOM 794 CD GLU A 81 20.076 17.793 -24.223 1.00 30.40 C ATOM 795 OE1 GLU A 81 19.178 18.684 -24.116 1.00 26.87 O ATOM 796 OE2 GLU A 81 19.876 16.553 -24.234 1.00 29.71 O ATOM 797 H GLU A 81 24.461 15.567 -25.230 1.00 0.00 H ATOM 798 N LYS A 82 24.186 19.703 -23.667 1.00 27.31 N ATOM 799 CA LYS A 82 24.208 20.484 -22.469 1.00 26.11 C ATOM 800 C LYS A 82 22.810 21.006 -22.280 1.00 24.20 C ATOM 801 O LYS A 82 22.271 21.584 -23.210 1.00 24.97 O ATOM 802 CB LYS A 82 25.160 21.641 -22.605 1.00 29.57 C ATOM 803 CG LYS A 82 26.596 21.211 -22.803 1.00 33.18 C ATOM 804 CD LYS A 82 27.525 22.184 -22.107 1.00 37.72 C ATOM 805 CE LYS A 82 28.288 23.046 -23.078 1.00 40.71 C ATOM 806 NZ LYS A 82 29.185 22.142 -23.854 1.00 43.43 N ATOM 807 HZ1 LYS A 82 29.835 21.658 -23.202 1.00 0.00 H ATOM 808 HZ2 LYS A 82 28.611 21.437 -24.360 1.00 0.00 H ATOM 809 HZ3 LYS A 82 29.732 22.702 -24.539 1.00 0.00 H ATOM 810 H LYS A 82 24.036 20.182 -24.578 1.00 0.00 H ATOM 811 N PHE A 83 22.232 20.803 -21.086 1.00 19.88 N ATOM 812 CA PHE A 83 20.871 21.193 -20.807 1.00 18.91 C ATOM 813 C PHE A 83 20.812 22.698 -20.881 1.00 20.03 C ATOM 814 O PHE A 83 21.744 23.342 -20.468 1.00 18.27 O ATOM 815 CB PHE A 83 20.455 20.766 -19.384 1.00 17.64 C ATOM 816 CG PHE A 83 20.354 19.278 -19.211 1.00 16.78 C ATOM 817 CD1 PHE A 83 19.422 18.550 -19.938 1.00 16.81 C ATOM 818 CD2 PHE A 83 21.184 18.611 -18.350 1.00 16.95 C ATOM 819 CE1 PHE A 83 19.332 17.174 -19.818 1.00 15.64 C ATOM 820 CE2 PHE A 83 21.094 17.248 -18.200 1.00 16.39 C ATOM 821 CZ PHE A 83 20.152 16.525 -18.943 1.00 16.73 C ATOM 822 H PHE A 83 22.786 20.347 -20.333 1.00 0.00 H ATOM 823 N ARG A 84 19.724 23.256 -21.402 1.00 20.68 N ATOM 824 CA ARG A 84 19.528 24.671 -21.252 1.00 21.41 C ATOM 825 C ARG A 84 19.756 25.002 -19.762 1.00 21.55 C ATOM 826 O ARG A 84 19.249 24.304 -18.879 1.00 20.11 O ATOM 827 CB ARG A 84 18.122 25.094 -21.663 1.00 21.03 C ATOM 828 CG ARG A 84 17.888 26.534 -21.211 1.00 22.08 C ATOM 829 CD ARG A 84 16.489 27.035 -21.379 1.00 22.89 C ATOM 830 NE ARG A 84 15.517 26.233 -20.654 1.00 24.67 N ATOM 831 CZ ARG A 84 14.245 26.572 -20.535 1.00 26.12 C ATOM 832 NH1 ARG A 84 13.804 27.701 -21.083 1.00 27.41 N ATOM 833 NH2 ARG A 84 13.420 25.816 -19.849 1.00 24.03 N ATOM 834 HE ARG A 84 15.838 25.350 -20.208 1.00 0.00 H ATOM 835 HH12 ARG A 84 12.803 27.968 -20.990 1.00 0.00 H ATOM 836 HH11 ARG A 84 14.460 28.317 -21.605 1.00 0.00 H ATOM 837 HH22 ARG A 84 12.420 26.087 -19.758 1.00 0.00 H ATOM 838 HH21 ARG A 84 13.766 24.946 -19.396 1.00 0.00 H ATOM 839 H ARG A 84 19.025 22.677 -21.910 1.00 0.00 H ATOM 840 N ASP A 85 20.525 26.037 -19.476 1.00 20.59 N ATOM 841 CA ASP A 85 20.924 26.310 -18.091 1.00 21.98 C ATOM 842 C ASP A 85 19.764 27.008 -17.421 1.00 21.65 C ATOM 843 O ASP A 85 19.449 28.117 -17.756 1.00 22.29 O ATOM 844 CB ASP A 85 22.177 27.187 -18.022 1.00 22.61 C ATOM 845 CG ASP A 85 22.678 27.416 -16.586 1.00 24.14 C ATOM 846 OD1 ASP A 85 21.959 27.138 -15.619 1.00 26.75 O ATOM 847 OD2 ASP A 85 23.817 27.880 -16.421 1.00 23.73 O ATOM 848 H ASP A 85 20.850 26.664 -20.239 1.00 0.00 H ATOM 849 N ILE A 86 19.141 26.349 -16.456 1.00 21.32 N ATOM 850 CA ILE A 86 18.028 26.948 -15.714 1.00 20.40 C ATOM 851 C ILE A 86 18.335 27.317 -14.255 1.00 17.79 C ATOM 852 O ILE A 86 17.433 27.554 -13.492 1.00 15.83 O ATOM 853 CB ILE A 86 16.797 25.997 -15.742 1.00 22.01 C ATOM 854 CG1 ILE A 86 17.163 24.697 -15.052 1.00 22.23 C ATOM 855 CG2 ILE A 86 16.298 25.851 -17.179 1.00 20.90 C ATOM 856 CD1 ILE A 86 16.074 23.670 -14.958 1.00 26.17 C ATOM 857 H ILE A 86 19.449 25.384 -16.219 1.00 0.00 H ATOM 858 N THR A 87 19.590 27.401 -13.860 1.00 17.75 N ATOM 859 CA THR A 87 19.933 27.686 -12.434 1.00 18.49 C ATOM 860 C THR A 87 19.419 29.030 -11.890 1.00 19.22 C ATOM 861 O THR A 87 19.108 29.185 -10.700 1.00 18.04 O ATOM 862 CB THR A 87 21.460 27.581 -12.210 1.00 17.94 C ATOM 863 OG1 THR A 87 22.174 28.389 -13.156 1.00 17.45 O ATOM 864 CG2 THR A 87 21.885 26.171 -12.433 1.00 18.48 C ATOM 865 HG1 THR A 87 21.965 28.083 -14.074 1.00 0.00 H ATOM 866 H THR A 87 20.354 27.267 -14.553 1.00 0.00 H ATOM 867 N LYS A 88 19.260 29.981 -12.779 1.00 20.41 N ATOM 868 CA LYS A 88 18.780 31.256 -12.393 1.00 20.27 C ATOM 869 C LYS A 88 17.309 31.233 -12.116 1.00 21.22 C ATOM 870 O LYS A 88 16.811 32.184 -11.583 1.00 21.61 O ATOM 871 CB LYS A 88 19.002 32.177 -13.531 1.00 22.00 C ATOM 872 CG LYS A 88 18.084 31.877 -14.696 1.00 23.00 C ATOM 873 CD LYS A 88 18.846 32.163 -15.924 1.00 24.25 C ATOM 874 CE LYS A 88 18.030 32.770 -17.020 1.00 25.66 C ATOM 875 NZ LYS A 88 19.061 33.034 -18.050 1.00 26.11 N ATOM 876 HZ1 LYS A 88 19.777 33.682 -17.664 1.00 0.00 H ATOM 877 HZ2 LYS A 88 19.514 32.138 -18.323 1.00 0.00 H ATOM 878 HZ3 LYS A 88 18.614 33.466 -18.884 1.00 0.00 H ATOM 879 H LYS A 88 19.489 29.797 -13.777 1.00 0.00 H ATOM 880 N PHE A 89 16.594 30.169 -12.501 1.00 20.97 N ATOM 881 CA PHE A 89 15.188 30.078 -12.135 1.00 19.79 C ATOM 882 C PHE A 89 14.997 29.347 -10.808 1.00 20.67 C ATOM 883 O PHE A 89 13.902 29.363 -10.226 1.00 20.31 O ATOM 884 CB PHE A 89 14.376 29.369 -13.208 1.00 20.38 C ATOM 885 CG PHE A 89 14.498 29.944 -14.577 1.00 21.01 C ATOM 886 CD1 PHE A 89 14.365 31.309 -14.805 1.00 21.62 C ATOM 887 CD2 PHE A 89 14.672 29.104 -15.678 1.00 21.38 C ATOM 888 CE1 PHE A 89 14.422 31.804 -16.092 1.00 19.93 C ATOM 889 CE2 PHE A 89 14.728 29.606 -16.969 1.00 19.81 C ATOM 890 CZ PHE A 89 14.614 30.970 -17.169 1.00 20.20 C ATOM 891 H PHE A 89 17.040 29.412 -13.058 1.00 0.00 H ATOM 892 N ILE A 90 16.070 28.727 -10.325 1.00 22.20 N ATOM 893 CA ILE A 90 16.130 28.107 -9.008 1.00 21.01 C ATOM 894 C ILE A 90 16.509 29.149 -7.931 1.00 21.56 C ATOM 895 O ILE A 90 17.591 29.779 -8.010 1.00 19.88 O ATOM 896 CB ILE A 90 17.187 27.028 -9.019 1.00 19.75 C ATOM 897 CG1 ILE A 90 16.820 25.964 -10.063 1.00 21.03 C ATOM 898 CG2 ILE A 90 17.339 26.410 -7.641 1.00 22.01 C ATOM 899 CD1 ILE A 90 17.911 24.969 -10.300 1.00 21.01 C ATOM 900 H ILE A 90 16.919 28.682 -10.925 1.00 0.00 H ATOM 901 N PRO A 91 15.662 29.308 -6.902 1.00 23.43 N ATOM 902 CA PRO A 91 15.979 30.279 -5.844 1.00 23.30 C ATOM 903 C PRO A 91 17.222 29.945 -5.017 1.00 23.49 C ATOM 904 O PRO A 91 17.576 28.775 -4.870 1.00 21.99 O ATOM 905 CB PRO A 91 14.734 30.256 -4.987 1.00 23.66 C ATOM 906 CG PRO A 91 14.218 28.879 -5.156 1.00 24.73 C ATOM 907 CD PRO A 91 14.384 28.638 -6.629 1.00 23.50 C ATOM 908 N GLU A 92 17.885 30.973 -4.483 1.00 24.33 N ATOM 909 CA GLU A 92 19.094 30.761 -3.693 1.00 26.13 C ATOM 910 C GLU A 92 18.745 29.955 -2.418 1.00 28.28 C ATOM 911 O GLU A 92 19.562 29.161 -1.900 1.00 26.41 O ATOM 912 CB GLU A 92 19.718 32.095 -3.320 1.00 30.31 C ATOM 913 CG GLU A 92 19.837 33.082 -4.476 1.00 32.85 C ATOM 914 CD GLU A 92 21.115 33.883 -4.398 1.00 36.81 C ATOM 915 OE1 GLU A 92 22.183 33.274 -4.593 1.00 41.38 O ATOM 916 OE2 GLU A 92 21.067 35.098 -4.111 1.00 38.93 O ATOM 917 H GLU A 92 17.535 31.941 -4.632 1.00 0.00 H ATOM 918 N ASN A 93 17.519 30.154 -1.928 1.00 27.15 N ATOM 919 CA ASN A 93 17.026 29.418 -0.777 1.00 26.25 C ATOM 920 C ASN A 93 15.698 28.817 -1.060 1.00 24.88 C ATOM 921 O ASN A 93 14.966 29.289 -1.887 1.00 26.12 O ATOM 922 CB ASN A 93 16.947 30.349 0.438 1.00 25.99 C ATOM 923 CG ASN A 93 18.332 30.771 0.902 1.00 28.89 C ATOM 924 OD1 ASN A 93 18.767 31.913 0.677 1.00 28.00 O ATOM 925 ND2 ASN A 93 19.060 29.827 1.477 1.00 27.80 N ATOM 926 HD22 ASN A 93 18.652 28.885 1.645 1.00 0.00 H ATOM 927 HD21 ASN A 93 20.040 30.027 1.761 1.00 0.00 H ATOM 928 H ASN A 93 16.900 30.855 -2.383 1.00 0.00 H ATOM 929 N ILE A 94 15.377 27.802 -0.303 1.00 24.56 N ATOM 930 CA ILE A 94 14.189 27.036 -0.539 1.00 24.39 C ATOM 931 C ILE A 94 13.009 27.893 -0.224 1.00 25.10 C ATOM 932 O ILE A 94 12.895 28.383 0.885 1.00 22.83 O ATOM 933 CB ILE A 94 14.199 25.760 0.312 1.00 23.65 C ATOM 934 CG1 ILE A 94 15.364 24.916 -0.159 1.00 23.39 C ATOM 935 CG2 ILE A 94 12.837 25.038 0.247 1.00 23.41 C ATOM 936 CD1 ILE A 94 15.539 23.611 0.560 1.00 24.35 C ATOM 937 H ILE A 94 15.998 27.544 0.490 1.00 0.00 H ATOM 938 N SER A 95 12.124 28.051 -1.206 1.00 25.80 N ATOM 939 CA SER A 95 11.159 29.144 -1.202 1.00 27.53 C ATOM 940 C SER A 95 9.776 28.625 -1.498 1.00 28.41 C ATOM 941 O SER A 95 9.593 27.689 -2.294 1.00 29.70 O ATOM 942 CB SER A 95 11.494 30.171 -2.271 1.00 26.89 C ATOM 943 OG SER A 95 12.787 30.681 -2.094 1.00 27.61 O ATOM 944 HG SER A 95 13.443 29.941 -2.149 1.00 0.00 H ATOM 945 H SER A 95 12.121 27.376 -1.998 1.00 0.00 H ATOM 946 N THR A 96 8.807 29.285 -0.889 1.00 25.60 N ATOM 947 CA THR A 96 7.387 28.985 -1.036 1.00 23.17 C ATOM 948 C THR A 96 6.887 29.572 -2.341 1.00 23.30 C ATOM 949 O THR A 96 7.608 30.316 -2.969 1.00 23.17 O ATOM 950 CB THR A 96 6.645 29.633 0.135 1.00 22.27 C ATOM 951 OG1 THR A 96 6.865 31.067 0.131 1.00 23.62 O ATOM 952 CG2 THR A 96 7.189 29.112 1.380 1.00 20.89 C ATOM 953 HG1 THR A 96 6.530 31.449 -0.719 1.00 0.00 H ATOM 954 H THR A 96 9.074 30.071 -0.263 1.00 0.00 H ATOM 955 N ALA A 97 5.651 29.247 -2.739 1.00 24.06 N ATOM 956 CA ALA A 97 5.004 29.832 -3.933 1.00 22.01 C ATOM 957 C ALA A 97 3.499 29.763 -3.805 1.00 20.81 C ATOM 958 O ALA A 97 2.962 28.986 -3.022 1.00 21.05 O ATOM 959 CB ALA A 97 5.440 29.122 -5.229 1.00 22.55 C ATOM 960 H ALA A 97 5.120 28.549 -2.181 1.00 0.00 H ATOM 961 N SER A 98 2.793 30.580 -4.570 1.00 21.07 N ATOM 962 CA SER A 98 1.349 30.467 -4.603 1.00 23.99 C ATOM 963 C SER A 98 1.015 29.773 -5.893 1.00 23.57 C ATOM 964 O SER A 98 1.690 29.959 -6.907 1.00 23.43 O ATOM 965 CB SER A 98 0.655 31.801 -4.557 1.00 22.92 C ATOM 966 OG SER A 98 0.697 32.319 -3.250 1.00 27.41 O ATOM 967 HG SER A 98 0.238 33.196 -3.229 1.00 0.00 H ATOM 968 H SER A 98 3.273 31.301 -5.146 1.00 0.00 H ATOM 969 N ASP A 99 -0.014 28.966 -5.844 1.00 25.75 N ATOM 970 CA ASP A 99 -0.530 28.411 -7.060 1.00 27.63 C ATOM 971 C ASP A 99 0.496 27.786 -7.942 1.00 23.95 C ATOM 972 O ASP A 99 0.534 28.082 -9.135 1.00 22.71 O ATOM 973 CB ASP A 99 -1.179 29.531 -7.833 1.00 28.99 C ATOM 974 CG ASP A 99 -2.621 29.351 -7.916 1.00 34.52 C ATOM 975 OD1 ASP A 99 -3.261 29.242 -6.849 1.00 38.91 O ATOM 976 OD2 ASP A 99 -3.104 29.267 -9.056 1.00 40.44 O ATOM 977 H ASP A 99 -0.453 28.730 -4.931 1.00 0.00 H ATOM 978 N ALA A 100 1.302 26.905 -7.368 1.00 23.34 N ATOM 979 CA ALA A 100 2.335 26.229 -8.117 1.00 22.09 C ATOM 980 C ALA A 100 1.710 25.257 -9.098 1.00 22.36 C ATOM 981 O ALA A 100 0.558 24.851 -8.944 1.00 22.79 O ATOM 982 CB ALA A 100 3.252 25.469 -7.176 1.00 22.02 C ATOM 983 H ALA A 100 1.188 26.696 -6.356 1.00 0.00 H ATOM 984 N THR A 101 2.508 24.840 -10.072 1.00 21.12 N ATOM 985 CA THR A 101 2.157 23.756 -10.934 1.00 20.33 C ATOM 986 C THR A 101 3.272 22.701 -10.940 1.00 19.86 C ATOM 987 O THR A 101 4.490 23.020 -11.040 1.00 17.70 O ATOM 988 CB THR A 101 1.856 24.242 -12.364 1.00 20.68 C ATOM 989 OG1 THR A 101 0.690 25.085 -12.361 1.00 20.90 O ATOM 990 CG2 THR A 101 1.599 23.039 -13.298 1.00 19.57 C ATOM 991 HG1 THR A 101 0.504 25.392 -13.284 1.00 0.00 H ATOM 992 H THR A 101 3.421 25.319 -10.213 1.00 0.00 H ATOM 993 N LEU A 102 2.839 21.447 -10.844 1.00 19.52 N ATOM 994 CA LEU A 102 3.728 20.301 -10.867 1.00 18.55 C ATOM 995 C LEU A 102 3.776 19.702 -12.249 1.00 19.65 C ATOM 996 O LEU A 102 2.753 19.222 -12.815 1.00 18.41 O ATOM 997 CB LEU A 102 3.272 19.272 -9.870 1.00 18.76 C ATOM 998 CG LEU A 102 4.061 17.978 -9.724 1.00 18.41 C ATOM 999 CD1 LEU A 102 5.479 18.251 -9.237 1.00 19.16 C ATOM 1000 CD2 LEU A 102 3.318 17.146 -8.725 1.00 18.26 C ATOM 1001 H LEU A 102 1.817 21.281 -10.748 1.00 0.00 H ATOM 1002 N VAL A 103 4.974 19.740 -12.800 1.00 19.24 N ATOM 1003 CA VAL A 103 5.184 19.311 -14.167 1.00 18.68 C ATOM 1004 C VAL A 103 5.842 17.930 -14.158 1.00 16.85 C ATOM 1005 O VAL A 103 6.992 17.775 -13.751 1.00 15.30 O ATOM 1006 CB VAL A 103 6.053 20.301 -14.940 1.00 18.96 C ATOM 1007 CG1 VAL A 103 6.220 19.812 -16.390 1.00 19.90 C ATOM 1008 CG2 VAL A 103 5.424 21.690 -14.849 1.00 20.48 C ATOM 1009 H VAL A 103 5.782 20.084 -12.243 1.00 0.00 H ATOM 1010 N ILE A 104 5.078 16.942 -14.627 1.00 16.01 N ATOM 1011 CA ILE A 104 5.519 15.564 -14.640 1.00 15.62 C ATOM 1012 C ILE A 104 5.716 15.102 -16.083 1.00 14.90 C ATOM 1013 O ILE A 104 4.939 15.461 -16.997 1.00 13.86 O ATOM 1014 CB ILE A 104 4.477 14.691 -13.947 1.00 15.77 C ATOM 1015 CG1 ILE A 104 4.325 15.138 -12.478 1.00 15.84 C ATOM 1016 CG2 ILE A 104 4.780 13.192 -14.104 1.00 15.60 C ATOM 1017 CD1 ILE A 104 2.918 15.047 -11.961 1.00 14.93 C ATOM 1018 H ILE A 104 4.133 17.170 -14.996 1.00 0.00 H ATOM 1019 N ASN A 105 6.783 14.321 -16.289 1.00 14.30 N ATOM 1020 CA ASN A 105 7.084 13.755 -17.600 1.00 14.52 C ATOM 1021 C ASN A 105 7.700 12.346 -17.551 1.00 15.97 C ATOM 1022 O ASN A 105 8.930 12.187 -17.482 1.00 15.18 O ATOM 1023 CB ASN A 105 7.963 14.679 -18.430 1.00 13.57 C ATOM 1024 CG ASN A 105 8.033 14.240 -19.883 1.00 13.32 C ATOM 1025 OD1 ASN A 105 7.051 13.748 -20.464 1.00 13.42 O ATOM 1026 ND2 ASN A 105 9.173 14.434 -20.488 1.00 13.36 N ATOM 1027 HD22 ASN A 105 9.973 14.848 -19.969 1.00 0.00 H ATOM 1028 HD21 ASN A 105 9.281 14.174 -21.489 1.00 0.00 H ATOM 1029 H ASN A 105 7.416 14.111 -15.491 1.00 0.00 H ATOM 1030 N THR A 106 6.824 11.353 -17.682 1.00 16.29 N ATOM 1031 CA THR A 106 7.181 9.921 -17.566 1.00 16.36 C ATOM 1032 C THR A 106 6.597 9.214 -18.801 1.00 17.18 C ATOM 1033 O THR A 106 5.683 9.751 -19.411 1.00 15.66 O ATOM 1034 CB THR A 106 6.490 9.419 -16.274 1.00 15.97 C ATOM 1035 OG1 THR A 106 7.353 9.584 -15.125 1.00 16.17 O ATOM 1036 CG2 THR A 106 5.998 8.101 -16.386 1.00 15.00 C ATOM 1037 HG1 THR A 106 6.888 9.256 -14.315 1.00 0.00 H ATOM 1038 H THR A 106 5.832 11.597 -17.877 1.00 0.00 H ATOM 1039 N GLU A 107 7.049 7.992 -19.125 1.00 18.41 N ATOM 1040 CA GLU A 107 6.418 7.218 -20.213 1.00 20.14 C ATOM 1041 C GLU A 107 4.930 6.985 -19.934 1.00 19.33 C ATOM 1042 O GLU A 107 4.100 7.002 -20.838 1.00 15.67 O ATOM 1043 CB GLU A 107 7.113 5.837 -20.382 1.00 21.91 C ATOM 1044 CG GLU A 107 6.375 4.917 -21.334 1.00 24.35 C ATOM 1045 CD GLU A 107 7.027 3.578 -21.541 1.00 24.79 C ATOM 1046 OE1 GLU A 107 8.262 3.447 -21.366 1.00 24.44 O ATOM 1047 OE2 GLU A 107 6.270 2.663 -21.918 1.00 28.90 O ATOM 1048 H GLU A 107 7.852 7.586 -18.604 1.00 0.00 H ATOM 1049 N HIS A 108 4.619 6.702 -18.675 1.00 19.92 N ATOM 1050 CA HIS A 108 3.262 6.464 -18.238 1.00 20.72 C ATOM 1051 C HIS A 108 2.405 7.746 -18.048 1.00 18.98 C ATOM 1052 O HIS A 108 1.197 7.704 -18.204 1.00 18.14 O ATOM 1053 CB HIS A 108 3.291 5.658 -16.933 1.00 24.32 C ATOM 1054 CG HIS A 108 3.893 4.292 -17.079 1.00 27.24 C ATOM 1055 ND1 HIS A 108 3.755 3.534 -18.227 1.00 28.12 N ATOM 1056 CD2 HIS A 108 4.593 3.529 -16.211 1.00 27.54 C ATOM 1057 CE1 HIS A 108 4.344 2.364 -18.059 1.00 27.98 C ATOM 1058 NE2 HIS A 108 4.865 2.337 -16.848 1.00 29.70 N ATOM 1059 H HIS A 108 5.384 6.649 -17.973 1.00 0.00 H ATOM 1060 N MET A 109 3.045 8.865 -17.747 1.00 17.73 N ATOM 1061 CA MET A 109 2.374 10.172 -17.472 1.00 17.69 C ATOM 1062 C MET A 109 3.155 11.270 -18.227 1.00 16.19 C ATOM 1063 O MET A 109 3.857 12.104 -17.636 1.00 16.43 O ATOM 1064 CB MET A 109 2.332 10.435 -15.962 1.00 18.93 C ATOM 1065 CG MET A 109 1.292 9.596 -15.205 1.00 20.32 C ATOM 1066 SD MET A 109 1.090 9.948 -13.419 1.00 23.05 S ATOM 1067 CE MET A 109 1.973 8.613 -12.682 1.00 24.26 C ATOM 1068 H MET A 109 4.083 8.833 -17.699 1.00 0.00 H ATOM 1069 N PRO A 110 3.076 11.248 -19.549 1.00 15.77 N ATOM 1070 CA PRO A 110 3.834 12.208 -20.352 1.00 16.69 C ATOM 1071 C PRO A 110 3.248 13.606 -20.327 1.00 16.62 C ATOM 1072 O PRO A 110 2.019 13.760 -20.362 1.00 16.99 O ATOM 1073 CB PRO A 110 3.708 11.641 -21.763 1.00 16.92 C ATOM 1074 CG PRO A 110 2.383 10.929 -21.758 1.00 16.47 C ATOM 1075 CD PRO A 110 2.318 10.301 -20.389 1.00 16.25 C ATOM 1076 N SER A 111 4.137 14.605 -20.299 1.00 17.40 N ATOM 1077 CA SER A 111 3.799 15.997 -20.345 1.00 17.46 C ATOM 1078 C SER A 111 2.538 16.325 -19.545 1.00 17.54 C ATOM 1079 O SER A 111 1.584 16.886 -20.084 1.00 18.33 O ATOM 1080 CB SER A 111 3.647 16.414 -21.790 1.00 18.27 C ATOM 1081 OG SER A 111 4.833 16.120 -22.485 1.00 20.43 O ATOM 1082 HG SER A 111 4.735 16.392 -23.432 1.00 0.00 H ATOM 1083 H SER A 111 5.144 14.354 -20.240 1.00 0.00 H ATOM 1084 N MET A 112 2.551 15.981 -18.253 1.00 18.56 N ATOM 1085 CA MET A 112 1.387 16.074 -17.376 1.00 18.71 C ATOM 1086 C MET A 112 1.510 17.289 -16.448 1.00 20.05 C ATOM 1087 O MET A 112 2.509 17.466 -15.763 1.00 20.05 O ATOM 1088 CB MET A 112 1.255 14.810 -16.523 1.00 18.52 C ATOM 1089 CG MET A 112 0.110 14.821 -15.515 1.00 17.15 C ATOM 1090 SD MET A 112 0.122 13.307 -14.547 1.00 15.73 S ATOM 1091 CE MET A 112 -1.548 13.448 -13.901 1.00 17.85 C ATOM 1092 H MET A 112 3.442 15.627 -17.849 1.00 0.00 H ATOM 1093 N PHE A 113 0.463 18.087 -16.411 1.00 22.35 N ATOM 1094 CA PHE A 113 0.415 19.281 -15.549 1.00 23.44 C ATOM 1095 C PHE A 113 -0.594 19.111 -14.475 1.00 23.11 C ATOM 1096 O PHE A 113 -1.799 19.000 -14.747 1.00 22.14 O ATOM 1097 CB PHE A 113 -0.027 20.473 -16.341 1.00 26.11 C ATOM 1098 CG PHE A 113 1.010 20.998 -17.238 1.00 31.63 C ATOM 1099 CD1 PHE A 113 1.382 22.297 -17.152 1.00 36.59 C ATOM 1100 CD2 PHE A 113 1.629 20.180 -18.182 1.00 37.34 C ATOM 1101 CE1 PHE A 113 2.352 22.796 -17.996 1.00 40.49 C ATOM 1102 CE2 PHE A 113 2.594 20.671 -19.024 1.00 38.50 C ATOM 1103 CZ PHE A 113 2.967 21.985 -18.927 1.00 38.37 C ATOM 1104 H PHE A 113 -0.358 17.867 -17.011 1.00 0.00 H ATOM 1105 N VAL A 114 -0.106 19.183 -13.253 1.00 22.77 N ATOM 1106 CA VAL A 114 -0.940 19.016 -12.095 1.00 23.38 C ATOM 1107 C VAL A 114 -0.922 20.265 -11.200 1.00 23.42 C ATOM 1108 O VAL A 114 0.123 20.617 -10.630 1.00 24.02 O ATOM 1109 CB VAL A 114 -0.459 17.793 -11.344 1.00 22.38 C ATOM 1110 CG1 VAL A 114 -1.206 17.661 -10.043 1.00 24.95 C ATOM 1111 CG2 VAL A 114 -0.643 16.578 -12.228 1.00 24.19 C ATOM 1112 H VAL A 114 0.910 19.366 -13.123 1.00 0.00 H ATOM 1113 N PRO A 115 -2.084 20.951 -11.081 1.00 25.25 N ATOM 1114 CA PRO A 115 -2.232 22.200 -10.363 1.00 22.87 C ATOM 1115 C PRO A 115 -2.242 21.975 -8.846 1.00 21.51 C ATOM 1116 O PRO A 115 -3.286 21.803 -8.274 1.00 24.29 O ATOM 1117 CB PRO A 115 -3.603 22.697 -10.843 1.00 23.55 C ATOM 1118 CG PRO A 115 -4.393 21.460 -11.025 1.00 26.06 C ATOM 1119 CD PRO A 115 -3.409 20.323 -11.283 1.00 26.03 C ATOM 1120 N VAL A 116 -1.097 21.946 -8.182 1.00 20.95 N ATOM 1121 CA VAL A 116 -1.099 21.455 -6.766 1.00 20.31 C ATOM 1122 C VAL A 116 -1.456 22.547 -5.749 1.00 19.41 C ATOM 1123 O VAL A 116 -1.629 22.252 -4.610 1.00 17.37 O ATOM 1124 CB VAL A 116 0.213 20.804 -6.328 1.00 19.85 C ATOM 1125 CG1 VAL A 116 0.453 19.491 -7.069 1.00 18.81 C ATOM 1126 CG2 VAL A 116 1.379 21.802 -6.458 1.00 20.49 C ATOM 1127 H VAL A 116 -0.214 22.258 -8.634 1.00 0.00 H ATOM 1128 N GLY A 117 -1.567 23.799 -6.180 1.00 20.06 N ATOM 1129 CA GLY A 117 -1.901 24.880 -5.275 1.00 20.74 C ATOM 1130 C GLY A 117 -0.669 25.455 -4.587 1.00 23.44 C ATOM 1131 O GLY A 117 0.463 25.346 -5.076 1.00 23.70 O ATOM 1132 H GLY A 117 -1.411 24.007 -7.187 1.00 0.00 H ATOM 1133 N ASP A 118 -0.885 26.086 -3.439 1.00 21.34 N ATOM 1134 CA ASP A 118 0.197 26.784 -2.794 1.00 19.95 C ATOM 1135 C ASP A 118 1.145 25.755 -2.210 1.00 18.89 C ATOM 1136 O ASP A 118 0.737 24.709 -1.725 1.00 17.78 O ATOM 1137 CB ASP A 118 -0.286 27.678 -1.661 1.00 20.69 C ATOM 1138 CG ASP A 118 -1.313 28.723 -2.078 1.00 21.64 C ATOM 1139 OD1 ASP A 118 -1.443 29.081 -3.246 1.00 20.73 O ATOM 1140 OD2 ASP A 118 -1.971 29.224 -1.155 1.00 22.57 O ATOM 1141 H ASP A 118 -1.831 26.076 -3.008 1.00 0.00 H ATOM 1142 N VAL A 119 2.409 26.116 -2.186 1.00 17.43 N ATOM 1143 CA VAL A 119 3.477 25.271 -1.663 1.00 18.38 C ATOM 1144 C VAL A 119 4.058 25.895 -0.401 1.00 18.52 C ATOM 1145 O VAL A 119 4.622 27.009 -0.444 1.00 19.54 O ATOM 1146 CB VAL A 119 4.579 25.160 -2.754 1.00 16.95 C ATOM 1147 CG1 VAL A 119 5.836 24.500 -2.208 1.00 16.88 C ATOM 1148 CG2 VAL A 119 4.006 24.427 -3.990 1.00 17.25 C ATOM 1149 H VAL A 119 2.661 27.053 -2.560 1.00 0.00 H ATOM 1150 N VAL A 120 3.939 25.222 0.728 1.00 19.06 N ATOM 1151 CA VAL A 120 4.347 25.828 2.007 1.00 21.91 C ATOM 1152 C VAL A 120 5.561 25.117 2.628 1.00 23.66 C ATOM 1153 O VAL A 120 5.842 23.956 2.297 1.00 23.24 O ATOM 1154 CB VAL A 120 3.199 25.820 3.056 1.00 22.00 C ATOM 1155 CG1 VAL A 120 1.988 26.581 2.549 1.00 22.55 C ATOM 1156 CG2 VAL A 120 2.822 24.398 3.442 1.00 20.49 C ATOM 1157 H VAL A 120 3.554 24.256 0.715 1.00 0.00 H ATOM 1158 N GLN A 121 6.244 25.776 3.570 1.00 25.41 N ATOM 1159 CA GLN A 121 7.390 25.112 4.240 1.00 26.56 C ATOM 1160 C GLN A 121 6.868 23.952 5.004 1.00 24.99 C ATOM 1161 O GLN A 121 5.839 24.065 5.622 1.00 25.56 O ATOM 1162 CB GLN A 121 8.120 26.032 5.224 1.00 29.29 C ATOM 1163 CG GLN A 121 8.649 27.311 4.603 1.00 31.59 C ATOM 1164 CD GLN A 121 9.685 27.080 3.490 1.00 35.38 C ATOM 1165 OE1 GLN A 121 10.010 25.938 3.107 1.00 33.95 O ATOM 1166 NE2 GLN A 121 10.218 28.176 2.976 1.00 37.51 N ATOM 1167 HE22 GLN A 121 9.921 29.111 3.322 1.00 0.00 H ATOM 1168 HE21 GLN A 121 10.934 28.103 2.226 1.00 0.00 H ATOM 1169 H GLN A 121 5.974 26.746 3.831 1.00 0.00 H ATOM 1170 N TYR A 122 7.565 22.831 4.961 1.00 24.58 N ATOM 1171 CA TYR A 122 7.151 21.677 5.754 1.00 25.42 C ATOM 1172 C TYR A 122 8.303 21.235 6.623 1.00 25.42 C ATOM 1173 O TYR A 122 8.117 21.068 7.810 1.00 24.15 O ATOM 1174 CB TYR A 122 6.608 20.534 4.910 1.00 25.10 C ATOM 1175 CG TYR A 122 5.739 19.503 5.675 1.00 25.40 C ATOM 1176 CD1 TYR A 122 4.435 19.805 6.071 1.00 26.08 C ATOM 1177 CD2 TYR A 122 6.225 18.251 5.991 1.00 25.51 C ATOM 1178 CE1 TYR A 122 3.646 18.883 6.758 1.00 26.04 C ATOM 1179 CE2 TYR A 122 5.439 17.309 6.668 1.00 26.72 C ATOM 1180 CZ TYR A 122 4.158 17.635 7.041 1.00 25.58 C ATOM 1181 OH TYR A 122 3.405 16.716 7.725 1.00 27.91 O ATOM 1182 HH TYR A 122 2.513 17.100 7.919 1.00 0.00 H ATOM 1183 H TYR A 122 8.412 22.770 4.360 1.00 0.00 H ATOM 1184 N GLY A 123 9.501 21.065 6.065 1.00 25.77 N ATOM 1185 CA GLY A 123 10.681 20.679 6.878 1.00 23.33 C ATOM 1186 C GLY A 123 10.915 19.178 6.933 1.00 24.47 C ATOM 1187 O GLY A 123 11.229 18.523 5.891 1.00 22.87 O ATOM 1188 H GLY A 123 9.611 21.205 5.040 1.00 0.00 H ATOM 1189 N PHE A 124 10.729 18.608 8.125 1.00 21.40 N ATOM 1190 CA PHE A 124 10.847 17.188 8.340 1.00 20.44 C ATOM 1191 C PHE A 124 9.743 16.330 7.708 1.00 21.92 C ATOM 1192 O PHE A 124 8.540 16.651 7.822 1.00 23.98 O ATOM 1193 CB PHE A 124 10.893 16.911 9.854 1.00 22.59 C ATOM 1194 CG PHE A 124 11.054 15.473 10.169 1.00 21.86 C ATOM 1195 CD1 PHE A 124 12.306 14.969 10.421 1.00 21.61 C ATOM 1196 CD2 PHE A 124 9.957 14.603 10.110 1.00 21.64 C ATOM 1197 CE1 PHE A 124 12.479 13.638 10.658 1.00 23.33 C ATOM 1198 CE2 PHE A 124 10.122 13.272 10.354 1.00 22.67 C ATOM 1199 CZ PHE A 124 11.394 12.783 10.631 1.00 24.56 C ATOM 1200 H PHE A 124 10.488 19.215 8.934 1.00 0.00 H ATOM 1201 N LEU A 125 10.130 15.214 7.076 1.00 20.82 N ATOM 1202 CA LEU A 125 9.162 14.235 6.594 1.00 22.30 C ATOM 1203 C LEU A 125 9.662 12.834 6.825 1.00 22.70 C ATOM 1204 O LEU A 125 10.829 12.606 6.609 1.00 25.26 O ATOM 1205 CB LEU A 125 8.866 14.466 5.113 1.00 22.78 C ATOM 1206 CG LEU A 125 7.744 13.669 4.455 1.00 24.00 C ATOM 1207 CD1 LEU A 125 6.367 14.110 4.957 1.00 25.02 C ATOM 1208 CD2 LEU A 125 7.850 13.798 2.923 1.00 25.04 C ATOM 1209 H LEU A 125 11.144 15.042 6.925 1.00 0.00 H ATOM 1210 N ASN A 126 8.809 11.920 7.313 1.00 24.67 N ATOM 1211 CA ASN A 126 9.142 10.486 7.325 1.00 29.28 C ATOM 1212 C ASN A 126 8.746 9.780 6.030 1.00 31.81 C ATOM 1213 O ASN A 126 7.572 9.542 5.757 1.00 31.77 O ATOM 1214 CB ASN A 126 8.520 9.723 8.504 1.00 30.25 C ATOM 1215 CG ASN A 126 9.298 8.484 8.836 1.00 31.36 C ATOM 1216 OD1 ASN A 126 9.679 8.296 9.983 1.00 43.39 O ATOM 1217 ND2 ASN A 126 9.632 7.675 7.826 1.00 31.49 N ATOM 1218 HD22 ASN A 126 9.286 7.872 6.865 1.00 0.00 H ATOM 1219 HD21 ASN A 126 10.238 6.848 8.001 1.00 0.00 H ATOM 1220 H ASN A 126 7.892 12.232 7.691 1.00 0.00 H ATOM 1221 N LEU A 127 9.753 9.403 5.258 1.00 35.00 N ATOM 1222 CA LEU A 127 9.568 8.911 3.919 1.00 34.76 C ATOM 1223 C LEU A 127 9.777 7.401 3.904 1.00 35.18 C ATOM 1224 O LEU A 127 10.893 6.924 3.690 1.00 31.69 O ATOM 1225 CB LEU A 127 10.584 9.621 3.034 1.00 35.90 C ATOM 1226 CG LEU A 127 10.600 9.358 1.530 1.00 38.98 C ATOM 1227 CD1 LEU A 127 9.490 10.117 0.782 1.00 40.54 C ATOM 1228 CD2 LEU A 127 11.982 9.761 1.026 1.00 38.54 C ATOM 1229 H LEU A 127 10.720 9.465 5.636 1.00 0.00 H ATOM 1230 N SER A 128 8.699 6.661 4.155 1.00 38.14 N ATOM 1231 CA SER A 128 8.726 5.213 4.114 1.00 38.62 C ATOM 1232 C SER A 128 9.880 4.713 4.970 1.00 37.68 C ATOM 1233 O SER A 128 10.760 3.981 4.522 1.00 39.41 O ATOM 1234 CB SER A 128 8.869 4.758 2.674 1.00 41.01 C ATOM 1235 OG SER A 128 7.831 5.314 1.890 1.00 42.89 O ATOM 1236 HG SER A 128 7.930 5.013 0.952 1.00 0.00 H ATOM 1237 H SER A 128 7.806 7.139 4.389 1.00 0.00 H ATOM 1238 N GLY A 129 9.873 5.150 6.216 1.00 37.91 N ATOM 1239 CA GLY A 129 10.947 4.842 7.145 1.00 37.75 C ATOM 1240 C GLY A 129 12.131 5.803 7.179 1.00 39.76 C ATOM 1241 O GLY A 129 12.853 5.825 8.159 1.00 40.16 O ATOM 1242 H GLY A 129 9.075 5.732 6.542 1.00 0.00 H ATOM 1243 N LYS A 130 12.355 6.598 6.138 1.00 38.30 N ATOM 1244 CA LYS A 130 13.562 7.427 6.064 1.00 35.98 C ATOM 1245 C LYS A 130 13.251 8.865 6.468 1.00 34.39 C ATOM 1246 O LYS A 130 12.416 9.516 5.866 1.00 33.88 O ATOM 1247 CB LYS A 130 14.129 7.375 4.646 1.00 39.05 C ATOM 1248 CG LYS A 130 15.454 8.092 4.420 1.00 40.89 C ATOM 1249 CD LYS A 130 16.638 7.134 4.459 1.00 45.29 C ATOM 1250 CE LYS A 130 17.634 7.431 3.351 1.00 45.64 C ATOM 1251 NZ LYS A 130 19.030 7.221 3.803 1.00 47.91 N ATOM 1252 HZ1 LYS A 130 19.232 7.852 4.605 1.00 0.00 H ATOM 1253 HZ2 LYS A 130 19.152 6.232 4.099 1.00 0.00 H ATOM 1254 HZ3 LYS A 130 19.682 7.433 3.021 1.00 0.00 H ATOM 1255 H LYS A 130 11.663 6.633 5.363 1.00 0.00 H ATOM 1256 N PRO A 131 13.923 9.376 7.506 1.00 33.76 N ATOM 1257 CA PRO A 131 13.733 10.774 7.870 1.00 30.19 C ATOM 1258 C PRO A 131 14.390 11.688 6.825 1.00 28.81 C ATOM 1259 O PRO A 131 15.468 11.381 6.314 1.00 26.98 O ATOM 1260 CB PRO A 131 14.440 10.894 9.219 1.00 31.87 C ATOM 1261 CG PRO A 131 15.062 9.561 9.496 1.00 32.47 C ATOM 1262 CD PRO A 131 15.052 8.781 8.232 1.00 33.32 C ATOM 1263 N THR A 132 13.732 12.796 6.513 1.00 24.70 N ATOM 1264 CA THR A 132 14.097 13.580 5.340 1.00 21.94 C ATOM 1265 C THR A 132 13.865 15.036 5.709 1.00 19.50 C ATOM 1266 O THR A 132 12.824 15.380 6.265 1.00 19.34 O ATOM 1267 CB THR A 132 13.195 13.209 4.145 1.00 21.01 C ATOM 1268 OG1 THR A 132 13.406 11.822 3.784 1.00 20.42 O ATOM 1269 CG2 THR A 132 13.488 14.114 2.935 1.00 21.36 C ATOM 1270 HG1 THR A 132 13.183 11.244 4.556 1.00 0.00 H ATOM 1271 H THR A 132 12.944 13.110 7.114 1.00 0.00 H ATOM 1272 N HIS A 133 14.825 15.873 5.401 1.00 17.07 N ATOM 1273 CA HIS A 133 14.731 17.273 5.728 1.00 16.76 C ATOM 1274 C HIS A 133 14.514 18.142 4.530 1.00 15.66 C ATOM 1275 O HIS A 133 14.685 17.726 3.378 1.00 16.11 O ATOM 1276 CB HIS A 133 15.990 17.726 6.444 1.00 18.63 C ATOM 1277 CG HIS A 133 16.077 17.279 7.856 1.00 20.07 C ATOM 1278 ND1 HIS A 133 17.227 17.405 8.599 1.00 24.05 N ATOM 1279 CD2 HIS A 133 15.185 16.652 8.652 1.00 21.95 C ATOM 1280 CE1 HIS A 133 17.025 16.903 9.803 1.00 21.92 C ATOM 1281 NE2 HIS A 133 15.795 16.443 9.856 1.00 20.44 N ATOM 1282 H HIS A 133 15.671 15.520 4.911 1.00 0.00 H ATOM 1283 N ARG A 134 14.126 19.386 4.802 1.00 16.74 N ATOM 1284 CA ARG A 134 14.098 20.430 3.775 1.00 15.94 C ATOM 1285 C ARG A 134 13.005 20.221 2.708 1.00 16.97 C ATOM 1286 O ARG A 134 13.170 20.577 1.520 1.00 17.00 O ATOM 1287 CB ARG A 134 15.486 20.613 3.112 1.00 16.23 C ATOM 1288 CG ARG A 134 16.616 21.035 4.011 1.00 15.39 C ATOM 1289 CD ARG A 134 17.823 21.454 3.202 1.00 16.27 C ATOM 1290 NE ARG A 134 18.983 21.701 4.061 1.00 16.75 N ATOM 1291 CZ ARG A 134 20.224 21.964 3.632 1.00 18.42 C ATOM 1292 NH1 ARG A 134 20.507 22.032 2.345 1.00 18.83 N ATOM 1293 NH2 ARG A 134 21.197 22.149 4.515 1.00 17.57 N ATOM 1294 HE ARG A 134 18.830 21.670 5.089 1.00 0.00 H ATOM 1295 HH12 ARG A 134 21.479 22.238 2.036 1.00 0.00 H ATOM 1296 HH11 ARG A 134 19.758 21.880 1.639 1.00 0.00 H ATOM 1297 HH22 ARG A 134 22.163 22.354 4.189 1.00 0.00 H ATOM 1298 HH21 ARG A 134 20.993 22.089 5.533 1.00 0.00 H ATOM 1299 H ARG A 134 13.834 19.623 5.772 1.00 0.00 H ATOM 1300 N THR A 135 11.855 19.723 3.144 1.00 17.91 N ATOM 1301 CA THR A 135 10.758 19.415 2.224 1.00 16.99 C ATOM 1302 C THR A 135 9.744 20.503 2.314 1.00 18.71 C ATOM 1303 O THR A 135 9.736 21.269 3.269 1.00 18.97 O ATOM 1304 CB THR A 135 10.043 18.085 2.563 1.00 16.44 C ATOM 1305 OG1 THR A 135 9.289 18.172 3.811 1.00 14.22 O ATOM 1306 CG2 THR A 135 11.056 16.921 2.584 1.00 15.04 C ATOM 1307 HG1 THR A 135 9.906 18.390 4.554 1.00 0.00 H ATOM 1308 H THR A 135 11.730 19.548 4.161 1.00 0.00 H ATOM 1309 N MET A 136 8.891 20.568 1.296 1.00 19.14 N ATOM 1310 CA MET A 136 7.760 21.450 1.313 1.00 20.39 C ATOM 1311 C MET A 136 6.540 20.653 0.952 1.00 18.63 C ATOM 1312 O MET A 136 6.650 19.574 0.407 1.00 21.39 O ATOM 1313 CB MET A 136 7.968 22.659 0.366 1.00 20.74 C ATOM 1314 CG MET A 136 8.960 23.678 0.912 1.00 23.29 C ATOM 1315 SD MET A 136 9.156 25.117 -0.161 1.00 23.03 S ATOM 1316 CE MET A 136 9.750 24.391 -1.703 1.00 23.37 C ATOM 1317 H MET A 136 9.048 19.963 0.465 1.00 0.00 H ATOM 1318 N MET A 137 5.370 21.218 1.212 1.00 18.11 N ATOM 1319 CA MET A 137 4.113 20.485 1.090 1.00 17.99 C ATOM 1320 C MET A 137 3.078 21.272 0.274 1.00 18.95 C ATOM 1321 O MET A 137 3.084 22.535 0.243 1.00 16.44 O ATOM 1322 CB MET A 137 3.564 20.166 2.522 1.00 19.74 C ATOM 1323 CG MET A 137 2.150 19.567 2.573 1.00 20.31 C ATOM 1324 SD MET A 137 0.770 20.729 2.404 1.00 23.74 S ATOM 1325 CE MET A 137 0.640 21.252 4.124 1.00 24.57 C ATOM 1326 H MET A 137 5.346 22.214 1.512 1.00 0.00 H ATOM 1327 N TYR A 138 2.208 20.536 -0.421 1.00 17.40 N ATOM 1328 CA TYR A 138 1.068 21.105 -1.144 1.00 18.25 C ATOM 1329 C TYR A 138 -0.111 20.219 -0.824 1.00 19.07 C ATOM 1330 O TYR A 138 0.044 18.984 -0.787 1.00 17.24 O ATOM 1331 CB TYR A 138 1.320 21.175 -2.668 1.00 18.52 C ATOM 1332 CG TYR A 138 2.481 20.301 -3.171 1.00 19.19 C ATOM 1333 CD1 TYR A 138 2.243 19.087 -3.787 1.00 18.01 C ATOM 1334 CD2 TYR A 138 3.813 20.704 -3.027 1.00 19.69 C ATOM 1335 CE1 TYR A 138 3.280 18.306 -4.234 1.00 18.47 C ATOM 1336 CE2 TYR A 138 4.848 19.921 -3.488 1.00 18.57 C ATOM 1337 CZ TYR A 138 4.577 18.720 -4.075 1.00 18.45 C ATOM 1338 OH TYR A 138 5.602 17.962 -4.534 1.00 16.02 O ATOM 1339 HH TYR A 138 5.243 17.128 -4.929 1.00 0.00 H ATOM 1340 H TYR A 138 2.347 19.506 -0.451 1.00 0.00 H ATOM 1341 N ASN A 139 -1.282 20.793 -0.537 1.00 20.81 N ATOM 1342 CA ASN A 139 -2.425 19.929 -0.214 1.00 22.10 C ATOM 1343 C ASN A 139 -3.072 19.388 -1.531 1.00 22.11 C ATOM 1344 O ASN A 139 -4.120 19.847 -1.983 1.00 20.71 O ATOM 1345 CB ASN A 139 -3.412 20.636 0.760 1.00 24.29 C ATOM 1346 CG ASN A 139 -2.837 20.800 2.198 1.00 26.71 C ATOM 1347 OD1 ASN A 139 -2.601 21.917 2.669 1.00 27.39 O ATOM 1348 ND2 ASN A 139 -2.614 19.686 2.900 1.00 24.94 N ATOM 1349 HD22 ASN A 139 -2.821 18.757 2.481 1.00 0.00 H ATOM 1350 HD21 ASN A 139 -2.233 19.747 3.866 1.00 0.00 H ATOM 1351 H ASN A 139 -1.382 21.828 -0.542 1.00 0.00 H ATOM 1352 N PHE A 140 -2.412 18.423 -2.163 1.00 21.32 N ATOM 1353 CA PHE A 140 -2.952 17.760 -3.351 1.00 21.30 C ATOM 1354 C PHE A 140 -2.704 16.270 -3.196 1.00 21.27 C ATOM 1355 O PHE A 140 -1.688 15.889 -2.671 1.00 20.91 O ATOM 1356 CB PHE A 140 -2.293 18.290 -4.643 1.00 21.96 C ATOM 1357 CG PHE A 140 -2.997 17.865 -5.920 1.00 22.62 C ATOM 1358 CD1 PHE A 140 -3.955 18.683 -6.499 1.00 22.05 C ATOM 1359 CD2 PHE A 140 -2.682 16.660 -6.551 1.00 22.22 C ATOM 1360 CE1 PHE A 140 -4.576 18.330 -7.692 1.00 22.81 C ATOM 1361 CE2 PHE A 140 -3.337 16.280 -7.705 1.00 21.29 C ATOM 1362 CZ PHE A 140 -4.282 17.125 -8.287 1.00 21.34 C ATOM 1363 H PHE A 140 -1.482 18.129 -1.802 1.00 0.00 H ATOM 1364 N PRO A 141 -3.636 15.428 -3.649 1.00 18.35 N ATOM 1365 CA PRO A 141 -3.424 14.002 -3.442 1.00 18.01 C ATOM 1366 C PRO A 141 -2.602 13.393 -4.568 1.00 16.98 C ATOM 1367 O PRO A 141 -3.133 12.710 -5.409 1.00 15.61 O ATOM 1368 CB PRO A 141 -4.849 13.455 -3.380 1.00 18.87 C ATOM 1369 CG PRO A 141 -5.657 14.418 -4.197 1.00 19.44 C ATOM 1370 CD PRO A 141 -5.030 15.755 -3.947 1.00 18.89 C ATOM 1371 N THR A 142 -1.293 13.654 -4.548 1.00 17.30 N ATOM 1372 CA THR A 142 -0.341 13.123 -5.513 1.00 18.01 C ATOM 1373 C THR A 142 -0.270 11.599 -5.377 1.00 20.97 C ATOM 1374 O THR A 142 -0.687 11.024 -4.352 1.00 17.34 O ATOM 1375 CB THR A 142 1.060 13.759 -5.323 1.00 19.49 C ATOM 1376 OG1 THR A 142 1.438 13.765 -3.936 1.00 18.20 O ATOM 1377 CG2 THR A 142 1.035 15.240 -5.768 1.00 18.20 C ATOM 1378 HG1 THR A 142 1.462 12.835 -3.598 1.00 0.00 H ATOM 1379 H THR A 142 -0.931 14.275 -3.797 1.00 0.00 H ATOM 1380 N LYS A 143 0.254 10.958 -6.425 1.00 22.20 N ATOM 1381 CA LYS A 143 0.239 9.528 -6.486 1.00 24.20 C ATOM 1382 C LYS A 143 1.537 8.942 -6.976 1.00 22.44 C ATOM 1383 O LYS A 143 2.430 9.645 -7.435 1.00 19.32 O ATOM 1384 CB LYS A 143 -0.899 9.084 -7.401 1.00 27.78 C ATOM 1385 CG LYS A 143 -0.817 9.603 -8.818 1.00 29.67 C ATOM 1386 CD LYS A 143 -2.143 9.319 -9.518 1.00 33.52 C ATOM 1387 CE LYS A 143 -2.114 8.089 -10.401 1.00 36.78 C ATOM 1388 NZ LYS A 143 -2.031 8.505 -11.841 1.00 42.89 N ATOM 1389 HZ1 LYS A 143 -2.860 9.084 -12.082 1.00 0.00 H ATOM 1390 HZ2 LYS A 143 -1.164 9.059 -11.991 1.00 0.00 H ATOM 1391 HZ3 LYS A 143 -2.011 7.658 -12.445 1.00 0.00 H ATOM 1392 H LYS A 143 0.677 11.503 -7.204 1.00 0.00 H ATOM 1393 N ALA A 144 1.613 7.620 -6.842 1.00 21.41 N ATOM 1394 CA ALA A 144 2.723 6.865 -7.343 1.00 20.64 C ATOM 1395 C ALA A 144 2.915 7.248 -8.818 1.00 18.91 C ATOM 1396 O ALA A 144 1.931 7.449 -9.576 1.00 18.36 O ATOM 1397 CB ALA A 144 2.451 5.335 -7.203 1.00 21.21 C ATOM 1398 H ALA A 144 0.841 7.118 -6.358 1.00 0.00 H ATOM 1399 N GLY A 145 4.182 7.327 -9.214 1.00 16.30 N ATOM 1400 CA GLY A 145 4.532 7.567 -10.579 1.00 16.37 C ATOM 1401 C GLY A 145 4.921 9.003 -10.803 1.00 17.03 C ATOM 1402 O GLY A 145 5.423 9.302 -11.867 1.00 17.06 O ATOM 1403 H GLY A 145 4.939 7.211 -8.511 1.00 0.00 H ATOM 1404 N GLN A 146 4.684 9.897 -9.816 1.00 15.97 N ATOM 1405 CA GLN A 146 4.864 11.310 -10.051 1.00 17.52 C ATOM 1406 C GLN A 146 6.154 11.852 -9.414 1.00 17.30 C ATOM 1407 O GLN A 146 6.399 13.052 -9.421 1.00 19.33 O ATOM 1408 CB GLN A 146 3.626 12.087 -9.547 1.00 16.08 C ATOM 1409 CG GLN A 146 2.395 11.679 -10.297 1.00 15.96 C ATOM 1410 CD GLN A 146 1.139 12.457 -9.911 1.00 16.11 C ATOM 1411 OE1 GLN A 146 0.918 12.786 -8.751 1.00 15.08 O ATOM 1412 NE2 GLN A 146 0.298 12.740 -10.906 1.00 16.07 N ATOM 1413 HE22 GLN A 146 0.523 12.443 -11.877 1.00 0.00 H ATOM 1414 HE21 GLN A 146 -0.583 13.258 -10.711 1.00 0.00 H ATOM 1415 H GLN A 146 4.370 9.564 -8.882 1.00 0.00 H ATOM 1416 N CYS A 147 6.981 10.962 -8.896 1.00 17.16 N ATOM 1417 CA CYS A 147 8.224 11.360 -8.246 1.00 18.27 C ATOM 1418 C CYS A 147 9.211 11.907 -9.288 1.00 17.18 C ATOM 1419 O CYS A 147 9.313 11.400 -10.396 1.00 16.83 O ATOM 1420 CB CYS A 147 8.846 10.206 -7.476 1.00 17.69 C ATOM 1421 SG CYS A 147 8.037 9.973 -5.913 1.00 20.37 S ATOM 1422 H CYS A 147 6.740 9.952 -8.953 1.00 0.00 H ATOM 1423 N GLY A 148 9.871 12.971 -8.925 1.00 16.06 N ATOM 1424 CA GLY A 148 10.745 13.641 -9.837 1.00 15.94 C ATOM 1425 C GLY A 148 10.089 14.804 -10.517 1.00 15.19 C ATOM 1426 O GLY A 148 10.789 15.587 -11.152 1.00 16.94 O ATOM 1427 H GLY A 148 9.760 13.338 -7.958 1.00 0.00 H ATOM 1428 N GLY A 149 8.768 14.927 -10.401 1.00 15.26 N ATOM 1429 CA GLY A 149 8.045 16.015 -11.002 1.00 14.44 C ATOM 1430 C GLY A 149 8.560 17.341 -10.473 1.00 14.78 C ATOM 1431 O GLY A 149 8.932 17.473 -9.308 1.00 15.31 O ATOM 1432 H GLY A 149 8.242 14.213 -9.858 1.00 0.00 H ATOM 1433 N VAL A 150 8.567 18.333 -11.321 1.00 14.39 N ATOM 1434 CA VAL A 150 9.182 19.613 -10.985 1.00 14.46 C ATOM 1435 C VAL A 150 8.086 20.587 -10.499 1.00 14.02 C ATOM 1436 O VAL A 150 7.140 20.921 -11.207 1.00 14.92 O ATOM 1437 CB VAL A 150 9.957 20.154 -12.213 1.00 14.10 C ATOM 1438 CG1 VAL A 150 10.745 21.406 -11.847 1.00 13.66 C ATOM 1439 CG2 VAL A 150 10.930 19.110 -12.749 1.00 14.42 C ATOM 1440 H VAL A 150 8.126 18.209 -12.254 1.00 0.00 H ATOM 1441 N VAL A 151 8.189 20.978 -9.252 1.00 15.47 N ATOM 1442 CA VAL A 151 7.332 21.987 -8.698 1.00 17.77 C ATOM 1443 C VAL A 151 7.707 23.365 -9.266 1.00 17.51 C ATOM 1444 O VAL A 151 8.824 23.820 -9.088 1.00 18.69 O ATOM 1445 CB VAL A 151 7.417 22.027 -7.171 1.00 17.30 C ATOM 1446 CG1 VAL A 151 6.506 23.088 -6.620 1.00 18.45 C ATOM 1447 CG2 VAL A 151 7.005 20.701 -6.574 1.00 18.72 C ATOM 1448 H VAL A 151 8.914 20.544 -8.646 1.00 0.00 H ATOM 1449 N THR A 152 6.758 24.042 -9.890 1.00 19.20 N ATOM 1450 CA THR A 152 7.032 25.328 -10.575 1.00 20.84 C ATOM 1451 C THR A 152 5.984 26.443 -10.391 1.00 23.61 C ATOM 1452 O THR A 152 4.772 26.173 -10.277 1.00 21.02 O ATOM 1453 CB THR A 152 7.168 25.111 -12.095 1.00 22.15 C ATOM 1454 OG1 THR A 152 5.892 24.847 -12.703 1.00 22.05 O ATOM 1455 CG2 THR A 152 8.096 23.966 -12.416 1.00 22.38 C ATOM 1456 HG1 THR A 152 5.288 25.616 -12.547 1.00 0.00 H ATOM 1457 H THR A 152 5.790 23.661 -9.901 1.00 0.00 H ATOM 1458 N SER A 153 6.455 27.702 -10.425 1.00 25.12 N ATOM 1459 CA SER A 153 5.581 28.887 -10.198 1.00 29.14 C ATOM 1460 C SER A 153 6.238 30.209 -10.542 1.00 31.43 C ATOM 1461 O SER A 153 7.334 30.508 -10.051 1.00 30.58 O ATOM 1462 CB SER A 153 5.190 28.995 -8.719 1.00 31.33 C ATOM 1463 OG SER A 153 4.121 29.911 -8.520 1.00 32.74 O ATOM 1464 HG SER A 153 3.329 29.607 -9.030 1.00 0.00 H ATOM 1465 H SER A 153 7.466 27.854 -10.617 1.00 0.00 H ATOM 1466 N VAL A 154 5.541 31.016 -11.338 1.00 33.33 N ATOM 1467 CA VAL A 154 6.079 32.283 -11.856 1.00 34.65 C ATOM 1468 C VAL A 154 7.543 32.214 -12.339 1.00 31.82 C ATOM 1469 O VAL A 154 8.375 32.886 -11.783 1.00 39.78 O ATOM 1470 CB VAL A 154 5.894 33.466 -10.849 1.00 32.73 C ATOM 1471 CG1 VAL A 154 4.410 33.741 -10.609 1.00 30.36 C ATOM 1472 CG2 VAL A 154 6.594 33.210 -9.532 1.00 35.70 C ATOM 1473 H VAL A 154 4.575 30.739 -11.605 1.00 0.00 H ATOM 1474 N GLY A 155 7.845 31.428 -13.381 1.00 27.89 N ATOM 1475 CA GLY A 155 9.211 31.242 -13.846 1.00 25.94 C ATOM 1476 C GLY A 155 10.233 30.819 -12.793 1.00 26.07 C ATOM 1477 O GLY A 155 11.370 31.201 -12.871 1.00 25.93 O ATOM 1478 H GLY A 155 7.075 30.933 -13.875 1.00 0.00 H ATOM 1479 N LYS A 156 9.841 30.029 -11.802 1.00 26.36 N ATOM 1480 CA LYS A 156 10.789 29.508 -10.839 1.00 27.15 C ATOM 1481 C LYS A 156 10.660 28.021 -10.602 1.00 25.60 C ATOM 1482 O LYS A 156 9.573 27.484 -10.527 1.00 23.49 O ATOM 1483 CB LYS A 156 10.632 30.204 -9.505 1.00 29.78 C ATOM 1484 CG LYS A 156 11.137 31.634 -9.497 1.00 31.14 C ATOM 1485 CD LYS A 156 11.956 31.840 -8.240 1.00 32.50 C ATOM 1486 CE LYS A 156 12.324 33.281 -8.051 1.00 35.18 C ATOM 1487 NZ LYS A 156 11.169 33.981 -7.438 1.00 36.70 N ATOM 1488 HZ1 LYS A 156 10.344 33.903 -8.067 1.00 0.00 H ATOM 1489 HZ2 LYS A 156 10.949 33.545 -6.520 1.00 0.00 H ATOM 1490 HZ3 LYS A 156 11.407 34.984 -7.299 1.00 0.00 H ATOM 1491 H LYS A 156 8.835 29.779 -11.715 1.00 0.00 H ATOM 1492 N VAL A 157 11.816 27.383 -10.437 1.00 23.77 N ATOM 1493 CA VAL A 157 11.933 25.959 -10.209 1.00 22.06 C ATOM 1494 C VAL A 157 12.316 25.685 -8.751 1.00 19.83 C ATOM 1495 O VAL A 157 13.452 25.897 -8.325 1.00 17.15 O ATOM 1496 CB VAL A 157 12.958 25.384 -11.193 1.00 23.46 C ATOM 1497 CG1 VAL A 157 13.056 23.863 -11.073 1.00 23.20 C ATOM 1498 CG2 VAL A 157 12.530 25.803 -12.613 1.00 24.74 C ATOM 1499 H VAL A 157 12.691 27.944 -10.474 1.00 0.00 H ATOM 1500 N ILE A 158 11.339 25.246 -7.975 1.00 17.93 N ATOM 1501 CA ILE A 158 11.487 25.301 -6.514 1.00 16.82 C ATOM 1502 C ILE A 158 11.562 23.971 -5.765 1.00 16.88 C ATOM 1503 O ILE A 158 11.950 23.969 -4.602 1.00 15.75 O ATOM 1504 CB ILE A 158 10.363 26.147 -5.891 1.00 17.98 C ATOM 1505 CG1 ILE A 158 9.028 25.406 -5.923 1.00 16.76 C ATOM 1506 CG2 ILE A 158 10.280 27.534 -6.553 1.00 17.22 C ATOM 1507 CD1 ILE A 158 7.888 26.249 -5.412 1.00 17.77 C ATOM 1508 H ILE A 158 10.469 24.863 -8.397 1.00 0.00 H ATOM 1509 N GLY A 159 11.189 22.859 -6.407 1.00 14.30 N ATOM 1510 CA GLY A 159 11.216 21.558 -5.725 1.00 14.56 C ATOM 1511 C GLY A 159 11.139 20.389 -6.672 1.00 13.72 C ATOM 1512 O GLY A 159 10.818 20.539 -7.839 1.00 14.34 O ATOM 1513 H GLY A 159 10.877 22.916 -7.398 1.00 0.00 H ATOM 1514 N ILE A 160 11.402 19.202 -6.152 1.00 14.86 N ATOM 1515 CA ILE A 160 11.266 17.918 -6.876 1.00 14.68 C ATOM 1516 C ILE A 160 10.341 16.945 -6.113 1.00 15.93 C ATOM 1517 O ILE A 160 10.556 16.672 -4.936 1.00 15.25 O ATOM 1518 CB ILE A 160 12.613 17.209 -6.935 1.00 14.68 C ATOM 1519 CG1 ILE A 160 13.573 18.015 -7.807 1.00 15.89 C ATOM 1520 CG2 ILE A 160 12.488 15.779 -7.453 1.00 15.25 C ATOM 1521 CD1 ILE A 160 12.986 18.384 -9.168 1.00 15.64 C ATOM 1522 H ILE A 160 11.727 19.168 -5.165 1.00 0.00 H ATOM 1523 N HIS A 161 9.338 16.400 -6.780 1.00 14.88 N ATOM 1524 CA HIS A 161 8.356 15.653 -6.045 1.00 15.95 C ATOM 1525 C HIS A 161 8.911 14.340 -5.569 1.00 15.69 C ATOM 1526 O HIS A 161 9.511 13.622 -6.327 1.00 15.16 O ATOM 1527 CB HIS A 161 7.106 15.396 -6.867 1.00 15.34 C ATOM 1528 CG HIS A 161 6.032 14.768 -6.076 1.00 14.29 C ATOM 1529 ND1 HIS A 161 5.253 15.489 -5.204 1.00 14.63 N ATOM 1530 CD2 HIS A 161 5.612 13.481 -5.991 1.00 13.62 C ATOM 1531 CE1 HIS A 161 4.411 14.678 -4.597 1.00 14.13 C ATOM 1532 NE2 HIS A 161 4.587 13.456 -5.087 1.00 14.12 N ATOM 1533 H HIS A 161 9.262 16.510 -7.811 1.00 0.00 H ATOM 1534 N ILE A 162 8.670 14.042 -4.294 1.00 16.34 N ATOM 1535 CA ILE A 162 9.268 12.913 -3.633 1.00 16.75 C ATOM 1536 C ILE A 162 8.326 11.966 -2.874 1.00 17.10 C ATOM 1537 O ILE A 162 8.751 10.835 -2.541 1.00 16.95 O ATOM 1538 CB ILE A 162 10.379 13.356 -2.644 1.00 17.23 C ATOM 1539 CG1 ILE A 162 9.822 14.242 -1.504 1.00 17.93 C ATOM 1540 CG2 ILE A 162 11.557 14.002 -3.400 1.00 17.07 C ATOM 1541 CD1 ILE A 162 10.745 14.279 -0.295 1.00 18.64 C ATOM 1542 H ILE A 162 8.023 14.651 -3.754 1.00 0.00 H ATOM 1543 N GLY A 163 7.106 12.419 -2.546 1.00 16.92 N ATOM 1544 CA GLY A 163 6.160 11.554 -1.855 1.00 16.59 C ATOM 1545 C GLY A 163 4.843 12.164 -1.485 1.00 15.19 C ATOM 1546 O GLY A 163 4.595 13.314 -1.750 1.00 15.10 O ATOM 1547 H GLY A 163 6.835 13.394 -2.787 1.00 0.00 H ATOM 1548 N GLY A 164 3.998 11.386 -0.838 1.00 15.83 N ATOM 1549 CA GLY A 164 2.663 11.833 -0.494 1.00 16.16 C ATOM 1550 C GLY A 164 1.975 10.860 0.402 1.00 18.16 C ATOM 1551 O GLY A 164 2.395 9.711 0.531 1.00 18.79 O ATOM 1552 H GLY A 164 4.297 10.427 -0.568 1.00 0.00 H ATOM 1553 N ASN A 165 0.911 11.321 1.047 1.00 18.95 N ATOM 1554 CA ASN A 165 0.199 10.485 2.005 1.00 16.86 C ATOM 1555 C ASN A 165 -1.220 10.228 1.598 1.00 16.38 C ATOM 1556 O ASN A 165 -2.017 9.930 2.448 1.00 17.21 O ATOM 1557 CB ASN A 165 0.223 11.166 3.414 1.00 17.11 C ATOM 1558 CG ASN A 165 -0.431 12.547 3.419 1.00 16.37 C ATOM 1559 OD1 ASN A 165 -1.285 12.851 2.577 1.00 15.42 O ATOM 1560 ND2 ASN A 165 -0.052 13.384 4.362 1.00 16.24 N ATOM 1561 HD22 ASN A 165 0.669 13.096 5.054 1.00 0.00 H ATOM 1562 HD21 ASN A 165 -0.473 14.333 4.415 1.00 0.00 H ATOM 1563 H ASN A 165 0.581 12.291 0.867 1.00 0.00 H ATOM 1564 N GLY A 166 -1.562 10.411 0.315 1.00 17.14 N ATOM 1565 CA GLY A 166 -2.928 10.228 -0.171 1.00 16.19 C ATOM 1566 C GLY A 166 -3.746 11.495 -0.103 1.00 16.47 C ATOM 1567 O GLY A 166 -4.731 11.603 -0.737 1.00 15.05 O ATOM 1568 H GLY A 166 -0.825 10.695 -0.362 1.00 0.00 H ATOM 1569 N ARG A 167 -3.306 12.477 0.655 1.00 17.94 N ATOM 1570 CA ARG A 167 -4.066 13.694 0.857 1.00 18.32 C ATOM 1571 C ARG A 167 -3.282 14.948 0.465 1.00 18.21 C ATOM 1572 O ARG A 167 -3.841 15.927 -0.077 1.00 16.60 O ATOM 1573 CB ARG A 167 -4.480 13.788 2.339 1.00 19.87 C ATOM 1574 CG ARG A 167 -5.611 12.833 2.770 1.00 19.40 C ATOM 1575 CD ARG A 167 -5.857 13.020 4.267 1.00 20.24 C ATOM 1576 NE ARG A 167 -4.597 12.926 5.037 1.00 19.75 N ATOM 1577 CZ ARG A 167 -3.958 11.794 5.332 1.00 19.50 C ATOM 1578 NH1 ARG A 167 -4.469 10.625 4.990 1.00 20.51 N ATOM 1579 NH2 ARG A 167 -2.811 11.825 6.008 1.00 19.16 N ATOM 1580 HE ARG A 167 -4.176 13.815 5.375 1.00 0.00 H ATOM 1581 HH12 ARG A 167 -3.963 9.747 5.225 1.00 0.00 H ATOM 1582 HH11 ARG A 167 -5.378 10.582 4.486 1.00 0.00 H ATOM 1583 HH22 ARG A 167 -2.317 10.938 6.235 1.00 0.00 H ATOM 1584 HH21 ARG A 167 -2.409 12.736 6.309 1.00 0.00 H ATOM 1585 H ARG A 167 -2.383 12.376 1.124 1.00 0.00 H ATOM 1586 N GLN A 168 -2.001 14.907 0.770 1.00 17.58 N ATOM 1587 CA GLN A 168 -1.099 15.993 0.547 1.00 19.62 C ATOM 1588 C GLN A 168 0.097 15.411 -0.184 1.00 19.83 C ATOM 1589 O GLN A 168 0.302 14.180 -0.187 1.00 16.54 O ATOM 1590 CB GLN A 168 -0.602 16.510 1.877 1.00 20.41 C ATOM 1591 CG GLN A 168 -1.694 17.003 2.809 1.00 23.01 C ATOM 1592 CD GLN A 168 -1.165 17.139 4.231 1.00 22.51 C ATOM 1593 OE1 GLN A 168 -0.861 16.147 4.876 1.00 23.26 O ATOM 1594 NE2 GLN A 168 -0.949 18.350 4.668 1.00 21.40 N ATOM 1595 HE22 GLN A 168 -1.223 19.169 4.088 1.00 0.00 H ATOM 1596 HE21 GLN A 168 -0.503 18.496 5.596 1.00 0.00 H ATOM 1597 H GLN A 168 -1.625 14.036 1.197 1.00 0.00 H ATOM 1598 N GLY A 169 0.888 16.303 -0.780 1.00 17.56 N ATOM 1599 CA GLY A 169 2.101 15.915 -1.496 1.00 16.51 C ATOM 1600 C GLY A 169 3.315 16.642 -0.988 1.00 17.47 C ATOM 1601 O GLY A 169 3.179 17.765 -0.427 1.00 17.16 O ATOM 1602 H GLY A 169 0.633 17.310 -0.734 1.00 0.00 H ATOM 1603 N PHE A 170 4.498 16.038 -1.202 1.00 15.84 N ATOM 1604 CA PHE A 170 5.745 16.575 -0.677 1.00 17.25 C ATOM 1605 C PHE A 170 6.897 16.592 -1.683 1.00 16.88 C ATOM 1606 O PHE A 170 7.130 15.594 -2.387 1.00 17.30 O ATOM 1607 CB PHE A 170 6.201 15.817 0.573 1.00 17.77 C ATOM 1608 CG PHE A 170 5.156 15.753 1.635 1.00 19.01 C ATOM 1609 CD1 PHE A 170 4.930 16.851 2.432 1.00 20.17 C ATOM 1610 CD2 PHE A 170 4.332 14.645 1.760 1.00 19.79 C ATOM 1611 CE1 PHE A 170 3.948 16.827 3.382 1.00 19.99 C ATOM 1612 CE2 PHE A 170 3.343 14.613 2.715 1.00 20.52 C ATOM 1613 CZ PHE A 170 3.154 15.711 3.527 1.00 20.45 C ATOM 1614 H PHE A 170 4.522 15.160 -1.760 1.00 0.00 H ATOM 1615 N CYS A 171 7.585 17.735 -1.742 1.00 16.39 N ATOM 1616 CA CYS A 171 8.770 17.884 -2.580 1.00 17.60 C ATOM 1617 C CYS A 171 9.976 18.110 -1.726 1.00 17.67 C ATOM 1618 O CYS A 171 9.852 18.670 -0.641 1.00 19.34 O ATOM 1619 CB CYS A 171 8.624 19.045 -3.579 1.00 17.46 C ATOM 1620 SG CYS A 171 8.552 20.702 -2.845 1.00 20.27 S ATOM 1621 H CYS A 171 7.266 18.545 -1.173 1.00 0.00 H ATOM 1622 N ALA A 172 11.135 17.680 -2.217 1.00 18.58 N ATOM 1623 CA ALA A 172 12.401 18.116 -1.672 1.00 18.03 C ATOM 1624 C ALA A 172 12.574 19.525 -2.212 1.00 18.16 C ATOM 1625 O ALA A 172 12.352 19.726 -3.371 1.00 17.60 O ATOM 1626 CB ALA A 172 13.534 17.233 -2.177 1.00 18.85 C ATOM 1627 H ALA A 172 11.130 17.012 -3.014 1.00 0.00 H ATOM 1628 N GLY A 173 12.921 20.498 -1.386 1.00 17.33 N ATOM 1629 CA GLY A 173 13.111 21.876 -1.887 1.00 17.64 C ATOM 1630 C GLY A 173 14.402 22.036 -2.710 1.00 17.88 C ATOM 1631 O GLY A 173 15.401 21.385 -2.423 1.00 17.65 O ATOM 1632 H GLY A 173 13.061 20.292 -0.376 1.00 0.00 H ATOM 1633 N LEU A 174 14.378 22.911 -3.713 1.00 17.78 N ATOM 1634 CA LEU A 174 15.585 23.240 -4.474 1.00 18.69 C ATOM 1635 C LEU A 174 16.232 24.550 -4.013 1.00 19.78 C ATOM 1636 O LEU A 174 15.581 25.584 -3.793 1.00 20.04 O ATOM 1637 CB LEU A 174 15.315 23.354 -5.981 1.00 17.70 C ATOM 1638 CG LEU A 174 14.818 22.125 -6.726 1.00 19.09 C ATOM 1639 CD1 LEU A 174 14.929 22.253 -8.245 1.00 17.87 C ATOM 1640 CD2 LEU A 174 15.539 20.894 -6.201 1.00 18.26 C ATOM 1641 H LEU A 174 13.480 23.372 -3.962 1.00 0.00 H ATOM 1642 N LYS A 175 17.550 24.497 -3.931 1.00 21.60 N ATOM 1643 CA LYS A 175 18.348 25.701 -3.861 1.00 21.04 C ATOM 1644 C LYS A 175 19.505 25.604 -4.859 1.00 19.49 C ATOM 1645 O LYS A 175 20.017 24.531 -5.198 1.00 16.24 O ATOM 1646 CB LYS A 175 18.871 25.984 -2.448 1.00 22.72 C ATOM 1647 CG LYS A 175 19.677 24.826 -1.877 1.00 25.36 C ATOM 1648 CD LYS A 175 19.741 24.926 -0.360 1.00 25.44 C ATOM 1649 CE LYS A 175 20.592 26.107 0.060 1.00 25.37 C ATOM 1650 NZ LYS A 175 21.095 25.907 1.428 1.00 26.03 N ATOM 1651 HZ1 LYS A 175 20.291 25.815 2.082 1.00 0.00 H ATOM 1652 HZ2 LYS A 175 21.671 25.042 1.461 1.00 0.00 H ATOM 1653 HZ3 LYS A 175 21.677 26.723 1.705 1.00 0.00 H ATOM 1654 H LYS A 175 18.023 23.571 -3.917 1.00 0.00 H ATOM 1655 N ARG A 176 19.886 26.794 -5.303 1.00 19.65 N ATOM 1656 CA ARG A 176 20.783 26.979 -6.430 1.00 20.13 C ATOM 1657 C ARG A 176 22.108 26.368 -6.114 1.00 20.27 C ATOM 1658 O ARG A 176 22.750 25.793 -6.987 1.00 18.75 O ATOM 1659 CB ARG A 176 20.925 28.481 -6.763 1.00 20.62 C ATOM 1660 CG ARG A 176 21.547 28.752 -8.150 1.00 20.82 C ATOM 1661 CD ARG A 176 21.515 30.252 -8.472 1.00 22.92 C ATOM 1662 NE ARG A 176 20.150 30.741 -8.367 1.00 23.90 N ATOM 1663 CZ ARG A 176 19.774 32.023 -8.343 1.00 25.65 C ATOM 1664 NH1 ARG A 176 20.640 33.020 -8.390 1.00 23.65 N ATOM 1665 NH2 ARG A 176 18.488 32.298 -8.229 1.00 26.22 N ATOM 1666 HE ARG A 176 19.396 30.027 -8.305 1.00 0.00 H ATOM 1667 HH12 ARG A 176 20.302 34.003 -8.369 1.00 0.00 H ATOM 1668 HH11 ARG A 176 21.659 32.821 -8.448 1.00 0.00 H ATOM 1669 HH22 ARG A 176 18.168 33.287 -8.208 1.00 0.00 H ATOM 1670 HH21 ARG A 176 17.795 31.525 -8.160 1.00 0.00 H ATOM 1671 H ARG A 176 19.523 27.640 -4.818 1.00 0.00 H ATOM 1672 N SER A 177 22.519 26.447 -4.851 1.00 19.81 N ATOM 1673 CA SER A 177 23.873 26.043 -4.503 1.00 20.51 C ATOM 1674 C SER A 177 24.085 24.521 -4.682 1.00 21.75 C ATOM 1675 O SER A 177 25.240 24.092 -4.822 1.00 21.74 O ATOM 1676 CB SER A 177 24.187 26.456 -3.074 1.00 21.74 C ATOM 1677 OG SER A 177 23.373 25.726 -2.184 1.00 22.35 O ATOM 1678 HG SER A 177 22.421 25.913 -2.380 1.00 0.00 H ATOM 1679 H SER A 177 21.874 26.797 -4.114 1.00 0.00 H ATOM 1680 N TYR A 178 23.009 23.712 -4.722 1.00 19.91 N ATOM 1681 CA TYR A 178 23.183 22.262 -4.993 1.00 19.89 C ATOM 1682 C TYR A 178 23.761 22.064 -6.375 1.00 19.76 C ATOM 1683 O TYR A 178 24.414 21.042 -6.638 1.00 19.03 O ATOM 1684 CB TYR A 178 21.885 21.453 -4.928 1.00 21.32 C ATOM 1685 CG TYR A 178 21.080 21.513 -3.637 1.00 20.15 C ATOM 1686 CD1 TYR A 178 21.694 21.550 -2.388 1.00 21.10 C ATOM 1687 CD2 TYR A 178 19.687 21.470 -3.673 1.00 20.51 C ATOM 1688 CE1 TYR A 178 20.929 21.591 -1.218 1.00 20.33 C ATOM 1689 CE2 TYR A 178 18.934 21.487 -2.513 1.00 19.58 C ATOM 1690 CZ TYR A 178 19.556 21.576 -1.295 1.00 19.64 C ATOM 1691 OH TYR A 178 18.777 21.586 -0.157 1.00 19.65 O ATOM 1692 HH TYR A 178 18.250 20.749 -0.112 1.00 0.00 H ATOM 1693 H TYR A 178 22.058 24.102 -4.563 1.00 0.00 H ATOM 1694 N PHE A 179 23.525 23.047 -7.255 1.00 19.10 N ATOM 1695 CA PHE A 179 23.945 22.957 -8.651 1.00 20.39 C ATOM 1696 C PHE A 179 25.164 23.809 -8.999 1.00 20.04 C ATOM 1697 O PHE A 179 25.552 23.862 -10.155 1.00 21.60 O ATOM 1698 CB PHE A 179 22.742 23.180 -9.591 1.00 19.82 C ATOM 1699 CG PHE A 179 21.539 22.358 -9.211 1.00 17.97 C ATOM 1700 CD1 PHE A 179 21.499 21.025 -9.462 1.00 19.42 C ATOM 1701 CD2 PHE A 179 20.497 22.915 -8.502 1.00 20.77 C ATOM 1702 CE1 PHE A 179 20.415 20.275 -9.082 1.00 19.13 C ATOM 1703 CE2 PHE A 179 19.411 22.159 -8.089 1.00 18.85 C ATOM 1704 CZ PHE A 179 19.380 20.838 -8.396 1.00 18.78 C ATOM 1705 H PHE A 179 23.027 23.901 -6.933 1.00 0.00 H ATOM 1706 N ALA A 180 25.796 24.412 -7.994 1.00 21.64 N ATOM 1707 CA ALA A 180 27.043 25.122 -8.217 1.00 24.74 C ATOM 1708 C ALA A 180 28.161 24.122 -8.398 1.00 24.52 C ATOM 1709 O ALA A 180 29.065 24.407 -9.179 1.00 31.79 O ATOM 1710 CB ALA A 180 27.357 26.103 -7.084 1.00 23.94 C ATOM 1711 H ALA A 180 25.391 24.374 -7.037 1.00 0.00 H TER 1712 ALA A 180 HETATM 1713 O HOH 1 10.808 0.988 -16.003 1.00 30.17 O HETATM 1714 O HOH 2 20.886 22.608 7.589 1.00 39.63 O HETATM 1715 O HOH 3 5.119 32.094 -1.240 1.00 33.88 O HETATM 1716 O HOH 4 7.739 32.051 2.202 1.00 25.50 O HETATM 1717 O HOH 5 18.243 21.797 -22.758 1.00 18.89 O HETATM 1718 O HOH 6 -5.575 22.062 -7.340 1.00 28.28 O HETATM 1719 O HOH 7 -7.109 12.015 -0.071 1.00 17.17 O HETATM 1720 O HOH 8 10.363 7.608 -22.491 1.00 26.97 O HETATM 1721 O HOH 9 -1.593 23.395 -2.351 1.00 26.28 O HETATM 1722 O HOH 10 14.785 33.099 -10.273 1.00 26.48 O HETATM 1723 O HOH 11 17.850 10.615 6.957 1.00 31.89 O HETATM 1724 O HOH 12 9.737 7.207 -17.753 1.00 25.18 O HETATM 1725 O HOH 13 8.194 5.481 -9.864 1.00 19.40 O HETATM 1726 O HOH 14 29.825 10.396 -5.873 1.00 29.43 O HETATM 1727 O HOH 15 18.823 20.513 6.564 1.00 20.14 O HETATM 1728 O HOH 16 -2.664 8.760 5.438 1.00 45.23 O HETATM 1729 O HOH 17 24.147 24.253 -19.580 1.00 20.45 O HETATM 1730 O HOH 18 13.037 26.202 -3.476 1.00 24.75 O HETATM 1731 O HOH 19 4.357 7.801 -23.341 1.00 32.69 O HETATM 1732 O HOH 20 17.510 20.803 10.845 1.00 28.72 O HETATM 1733 O HOH 21 11.019 27.226 -19.264 1.00 27.81 O HETATM 1734 O HOH 22 22.970 0.445 -13.600 1.00 20.81 O HETATM 1735 O HOH 23 5.029 7.762 -14.002 1.00 20.49 O HETATM 1736 O HOH 24 16.561 20.112 -0.368 1.00 17.11 O HETATM 1737 O HOH 25 4.963 28.378 -15.573 1.00 27.56 O HETATM 1738 O HOH 26 26.107 9.705 -3.092 1.00 26.74 O HETATM 1739 O HOH 27 1.876 30.498 -9.877 1.00 38.71 O HETATM 1740 O HOH 28 7.676 18.842 9.254 1.00 23.84 O HETATM 1741 O HOH 29 0.350 23.691 0.743 1.00 19.60 O HETATM 1742 O HOH 30 27.438 25.638 -20.438 1.00 35.71 O HETATM 1743 O HOH 31 14.936 17.913 0.586 1.00 21.29 O HETATM 1744 O HOH 32 21.940 28.195 -2.796 1.00 32.77 O HETATM 1745 O HOH 33 20.105 7.773 -5.351 1.00 20.29 O HETATM 1746 O HOH 34 18.155 10.578 -23.908 1.00 23.40 O HETATM 1747 O HOH 35 28.583 4.063 -15.446 1.00 31.81 O HETATM 1748 O HOH 36 7.184 11.368 -12.263 1.00 9.27 O HETATM 1749 O HOH 37 11.653 16.363 -22.678 1.00 28.94 O HETATM 1750 O HOH 38 -2.399 13.177 -10.547 1.00 25.77 O HETATM 1751 O HOH 39 25.954 7.634 -22.448 1.00 15.32 O HETATM 1752 O HOH 40 22.036 9.405 0.880 1.00 29.75 O HETATM 1753 O HOH 41 17.683 27.510 2.117 1.00 21.14 O HETATM 1754 O HOH 42 -6.400 17.003 -0.139 1.00 20.28 O HETATM 1755 O HOH 43 -0.645 12.071 -1.732 1.00 17.84 O HETATM 1756 O HOH 44 18.684 1.675 -11.841 1.00 25.88 O HETATM 1757 O HOH 45 7.533 2.442 -12.287 1.00 26.92 O HETATM 1758 O HOH 46 2.738 30.144 -12.935 1.00 15.07 O HETATM 1759 O HOH 47 -1.226 6.996 -16.979 1.00 22.20 O HETATM 1760 O HOH 48 10.090 31.488 0.291 1.00 21.36 O HETATM 1761 O HOH 49 -0.460 6.257 -5.462 1.00 20.02 O HETATM 1762 O HOH 50 24.253 13.696 13.008 1.00 17.12 O HETATM 1763 O HOH 51 -3.213 11.808 -8.102 1.00 25.42 O HETATM 1764 O HOH 52 7.692 26.643 -24.556 1.00 31.18 O HETATM 1765 O HOH 53 6.528 21.083 -24.376 1.00 19.62 O HETATM 1766 O HOH 54 13.619 22.945 -28.477 1.00 31.64 O HETATM 1767 O HOH 55 27.031 6.035 -10.289 1.00 31.89 O HETATM 1768 O HOH 56 3.809 26.741 -13.233 1.00 38.53 O HETATM 1769 O HOH 57 19.309 3.760 -13.262 1.00 24.62 O HETATM 1770 O HOH 58 22.995 23.197 1.524 1.00 28.83 O HETATM 1771 O HOH 59 24.067 21.224 -26.111 1.00 31.23 O HETATM 1772 O HOH 60 14.081 20.230 7.561 1.00 20.10 O HETATM 1773 O HOH 61 26.604 14.143 -10.075 1.00 27.30 O HETATM 1774 O HOH 62 0.000 12.109 -19.110 1.00 11.91 O HETATM 1775 O HOH 63 19.476 12.396 -0.932 1.00 36.70 O HETATM 1776 O HOH 64 16.628 12.773 -24.022 1.00 31.43 O HETATM 1777 O HOH 65 22.126 27.342 -21.523 1.00 23.67 O HETATM 1778 O HOH 66 13.660 15.109 -10.781 1.00 18.17 O HETATM 1779 O HOH 67 24.641 18.125 0.297 1.00 18.09 O HETATM 1780 O HOH 68 6.437 13.151 8.542 1.00 39.02 O HETATM 1781 O HOH 69 2.817 29.420 -0.094 1.00 25.72 O HETATM 1782 O HOH 70 5.039 28.382 4.356 1.00 28.17 O HETATM 1783 O HOH 71 -1.664 8.477 -3.160 1.00 35.95 O HETATM 1784 O HOH 72 16.514 33.607 -4.757 1.00 29.51 O HETATM 1785 O HOH 73 11.048 6.011 -20.019 1.00 15.74 O HETATM 1786 O HOH 74 28.513 18.639 -16.349 1.00 22.08 O HETATM 1787 O HOH 75 28.005 17.572 11.459 1.00 20.29 O HETATM 1788 O HOH 76 20.578 30.139 -15.801 1.00 24.82 O HETATM 1789 O HOH 77 7.509 8.016 -9.530 1.00 18.08 O HETATM 1790 O HOH 78 0.000 31.813 -19.110 1.00 13.02 O HETATM 1791 O HOH 79 24.831 22.577 -1.927 1.00 22.60 O HETATM 1792 O HOH 80 4.111 30.679 2.468 1.00 42.85 O HETATM 1793 O HOH 81 24.883 28.970 -6.119 1.00 37.18 O HETATM 1794 C2 UNN A 82 7.768 7.404 -1.378 1.00 0.14 C HETATM 1795 C3 UNN A 82 8.588 6.151 -1.622 1.00 0.02 C HETATM 1796 C4 UNN A 82 9.834 5.991 -0.813 1.00 -0.04 C HETATM 1797 C5 UNN A 82 10.760 7.004 -0.839 1.00 -0.06 C HETATM 1798 C6 UNN A 82 11.944 6.834 -0.099 1.00 -0.07 C HETATM 1799 C7 UNN A 82 12.197 5.676 0.645 1.00 -0.07 C HETATM 1800 C8 UNN A 82 11.269 4.641 0.643 1.00 -0.07 C HETATM 1801 C9 UNN A 82 10.086 4.808 -0.086 1.00 -0.06 C HETATM 1802 H19 UNN A 82 9.349 4.013 -0.092 1.00 0.06 H HETATM 1803 H8 UNN A 82 11.457 3.726 1.193 1.00 0.06 H HETATM 1804 H6 UNN A 82 13.112 5.587 1.220 1.00 0.06 H HETATM 1805 H5 UNN A 82 12.684 7.626 -0.105 1.00 0.06 H HETATM 1806 H4 UNN A 82 10.584 7.907 -1.412 1.00 0.06 H HETATM 1807 H2 UNN A 82 8.878 6.145 -2.683 1.00 0.05 H HETATM 1808 H3 UNN A 82 7.942 5.285 -1.413 1.00 0.05 H HETATM 1809 N5 UNN A 82 6.950 7.272 -0.169 1.00 -0.26 N HETATM 1810 C UNN A 82 5.842 8.021 0.084 1.00 0.18 C HETATM 1811 C20 UNN A 82 5.107 7.690 1.365 1.00 0.04 C HETATM 1812 C22 UNN A 82 5.145 8.757 2.483 1.00 -0.03 C HETATM 1813 C23 UNN A 82 5.769 8.178 3.733 1.00 -0.06 C HETATM 1814 H12 UNN A 82 5.791 8.945 4.521 1.00 0.02 H HETATM 1815 H13 UNN A 82 6.795 7.850 3.512 1.00 0.02 H HETATM 1816 H14 UNN A 82 5.175 7.318 4.075 1.00 0.02 H HETATM 1817 C24 UNN A 82 5.845 10.083 2.187 1.00 -0.06 C HETATM 1818 H15 UNN A 82 5.413 10.531 1.280 1.00 0.02 H HETATM 1819 H16 UNN A 82 6.919 9.904 2.031 1.00 0.02 H HETATM 1820 H17 UNN A 82 5.707 10.768 3.036 1.00 0.02 H HETATM 1821 H11 UNN A 82 4.096 9.001 2.706 1.00 0.03 H HETATM 1822 H9 UNN A 82 4.052 7.514 1.108 1.00 0.05 H HETATM 1823 H10 UNN A 82 5.545 6.766 1.771 1.00 0.05 H HETATM 1824 O UNN A 82 5.391 8.907 -0.646 1.00 -0.40 O HETATM 1825 H18 UNN A 82 7.222 6.591 0.511 1.00 0.19 H HETATM 1826 C17 UNN A 82 6.909 7.385 -2.637 1.00 0.20 C HETATM 1827 O4 UNN A 82 6.233 6.389 -2.862 1.00 -0.39 O HETATM 1828 N UNN A 82 6.870 8.430 -3.488 1.00 -0.28 N HETATM 1829 C10 UNN A 82 6.049 8.345 -4.708 1.00 0.05 C HETATM 1830 C11 UNN A 82 4.855 9.239 -4.744 1.00 -0.01 C HETATM 1831 C12 UNN A 82 3.883 8.977 -3.594 1.00 0.05 C HETATM 1832 C13 UNN A 82 2.743 9.955 -3.641 1.00 0.18 C HETATM 1833 N1 UNN A 82 1.642 9.305 -3.261 1.00 -0.29 N HETATM 1834 C25 UNN A 82 1.834 7.901 -2.952 1.00 0.03 C HETATM 1835 C26 UNN A 82 3.221 7.599 -3.549 1.00 -0.01 C HETATM 1836 H27 UNN A 82 3.787 6.909 -2.905 1.00 0.03 H HETATM 1837 H28 UNN A 82 3.132 7.170 -4.558 1.00 0.03 H HETATM 1838 H25 UNN A 82 1.057 7.283 -3.425 1.00 0.05 H HETATM 1839 H26 UNN A 82 1.826 7.731 -1.865 1.00 0.05 H HETATM 1840 H7 UNN A 82 0.750 9.753 -3.194 1.00 0.19 H HETATM 1841 O1 UNN A 82 2.899 11.188 -3.929 1.00 -0.40 O HETATM 1842 H24 UNN A 82 4.445 9.116 -2.659 1.00 0.05 H HETATM 1843 H22 UNN A 82 4.325 9.080 -5.695 1.00 0.03 H HETATM 1844 H23 UNN A 82 5.196 10.283 -4.685 1.00 0.03 H HETATM 1845 C14 UNN A 82 7.063 8.523 -5.842 1.00 -0.01 C HETATM 1846 C15 UNN A 82 7.783 7.230 -6.219 1.00 0.05 C HETATM 1847 C16 UNN A 82 6.982 6.057 -6.689 1.00 0.23 C HETATM 1848 O3 UNN A 82 6.033 6.129 -7.430 1.00 -0.37 O HETATM 1849 O2 UNN A 82 7.417 4.737 -6.271 1.00 -0.28 O HETATM 1850 C18 UNN A 82 6.598 3.960 -5.414 1.00 0.07 C HETATM 1851 C19 UNN A 82 6.004 2.847 -6.229 1.00 -0.04 C HETATM 1852 H35 UNN A 82 5.362 2.226 -5.588 1.00 0.03 H HETATM 1853 H36 UNN A 82 6.811 2.229 -6.649 1.00 0.03 H HETATM 1854 H37 UNN A 82 5.404 3.272 -7.048 1.00 0.03 H HETATM 1855 H33 UNN A 82 5.796 4.585 -4.995 1.00 0.06 H HETATM 1856 H34 UNN A 82 7.203 3.542 -4.596 1.00 0.06 H HETATM 1857 H31 UNN A 82 8.341 6.902 -5.330 1.00 0.05 H HETATM 1858 H32 UNN A 82 8.490 7.479 -7.024 1.00 0.05 H HETATM 1859 H29 UNN A 82 7.814 9.261 -5.525 1.00 0.03 H HETATM 1860 H30 UNN A 82 6.532 8.898 -6.729 1.00 0.03 H HETATM 1861 H21 UNN A 82 5.650 7.322 -4.774 1.00 0.06 H HETATM 1862 H20 UNN A 82 7.395 9.258 -3.292 1.00 0.19 H HETATM 1863 H1 UNN A 82 8.393 8.307 -1.312 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1794 1795 1809 1826 1863 CONECT 1795 1794 1796 1807 1808 CONECT 1796 1795 1797 1801 CONECT 1797 1796 1798 1806 CONECT 1798 1797 1799 1805 CONECT 1799 1798 1800 1804 CONECT 1800 1799 1801 1803 CONECT 1801 1796 1800 1802 CONECT 1802 1801 CONECT 1803 1800 CONECT 1804 1799 CONECT 1805 1798 CONECT 1806 1797 CONECT 1807 1795 CONECT 1808 1795 CONECT 1809 1794 1810 1825 CONECT 1810 1809 1811 1824 CONECT 1811 1810 1812 1822 1823 CONECT 1812 1811 1813 1817 1821 CONECT 1813 1812 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1812 1818 1819 1820 CONECT 1818 1817 CONECT 1819 1817 CONECT 1820 1817 CONECT 1821 1812 CONECT 1822 1811 CONECT 1823 1811 CONECT 1824 1810 CONECT 1825 1809 CONECT 1826 1794 1827 1828 CONECT 1827 1826 CONECT 1828 1826 1829 1862 CONECT 1829 1828 1830 1845 1861 CONECT 1830 1829 1831 1843 1844 CONECT 1831 1830 1832 1835 1842 CONECT 1832 1831 1833 1841 CONECT 1833 1832 1834 1840 CONECT 1834 1833 1835 1838 1839 CONECT 1835 1831 1834 1836 1837 CONECT 1836 1835 CONECT 1837 1835 CONECT 1838 1834 CONECT 1839 1834 CONECT 1840 1833 CONECT 1841 1832 CONECT 1842 1831 CONECT 1843 1830 CONECT 1844 1830 CONECT 1845 1829 1846 1859 1860 CONECT 1846 1845 1847 1857 1858 CONECT 1847 1846 1848 1849 CONECT 1848 1847 CONECT 1849 1847 1850 CONECT 1850 1849 1851 1855 1856 CONECT 1851 1850 1852 1853 1854 CONECT 1852 1851 CONECT 1853 1851 CONECT 1854 1851 CONECT 1855 1850 CONECT 1856 1850 CONECT 1857 1846 CONECT 1858 1846 CONECT 1859 1845 CONECT 1860 1845 CONECT 1861 1829 CONECT 1862 1828 CONECT 1863 1794 MASTER 0 0 0 0 0 0 0 0 1862 1 74 14 END
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Related entries of code: 5dp7
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3qzq
RCSB PDB
PDBbind
187aa, >3QZQ_1|Chains... at 99%
3sji
RCSB PDB
PDBbind
190aa, >3SJI_1|Chain... at 91%
3sjo
RCSB PDB
PDBbind
190aa, >3SJO_1|Chains... at 95%
4ght
RCSB PDB
PDBbind
192aa, >4GHT_1|Chains... at 94%
5c1x
RCSB PDB
PDBbind
192aa, >5C1X_1|Chains... at 94%
5c1y
RCSB PDB
PDBbind
192aa, >5C1Y_1|Chain... at 94%
5c20
RCSB PDB
PDBbind
192aa, >5C20_1|Chain... at 94%
5dp4
RCSB PDB
PDBbind
192aa, >5DP4_1|Chains... at 94%
5dp5
RCSB PDB
PDBbind
181aa, >5DP5_1|Chain... at 98%
5dp6
RCSB PDB
PDBbind
192aa, >5DP6_1|Chains... at 94%
5dp8
RCSB PDB
PDBbind
192aa, >5DP8_1|Chain... at 94%
5dp9
RCSB PDB
PDBbind
192aa, >5DP9_1|Chain... at 94%
5dpa
RCSB PDB
PDBbind
192aa, >5DPA_1|Chain... at 94%
5gso
RCSB PDB
PDBbind
204aa, >5GSO_1|Chains... *
5gsw
RCSB PDB
PDBbind
183aa, >5GSW_1|Chains... at 99%
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
5dp7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EV71 3C Proteinase
Ligand Name
5EC
EC.Number
E.C.-.-.-.-
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
IC50=27.57uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochim.Biophys.Acta Vol. 1860: pp. 1299-1307
Ligand Properties
Formula
C
2
5
H
3
7
N
3
O
5
Molecular Weight
459.578
Exact Mass
459.273
No. of atoms
70
No. of bonds
71
Polar Surface Area
113.6
LOGP Value
2.53 (
Computed with XLOGP3
)
3.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
Canonical SMILES
CCOC(=O)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)C[C@@H]1CCNC1=O
InChI String
InChI=1S/C25H37N3O5/c1-4-33-23(30)11-10-20(16-19-12-13-26-24(19)31)27-25(32)21(28-22(29)14-17(2)3)15-18-8-6-5-7-9-18/h5-9,17,19-21H,4,10-16H2,1-3H3,(H,26,31)(H,27,32)(H,28,29)/t19-,20+,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A9XG43
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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