Browse entries in the PDBbind-CN Database
HEADER 5Z1T_COMPLEX COMPND 5Z1T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 135 HIS HIS HIS HIS HIS LEU VAL PRO ARG GLY SER ASN PRO SEQRES 2 A 135 PRO PRO PRO GLU THR SER ASN PRO ASN LYS PRO LYS ARG SEQRES 3 A 135 GLN THR ASN GLN LEU GLN TYR LEU LEU ARG VAL VAL LEU SEQRES 4 A 135 LYS THR LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE GLN SEQRES 5 A 135 GLN PRO VAL ASP ALA VAL LYS LEU ASN LEU PRO ASP TYR SEQRES 6 A 135 TYR LYS ILE ILE LYS THR PRO MET ASP MET GLY THR ILE SEQRES 7 A 135 LYS LYS ARG LEU GLU ASN ASN TYR TYR TRP ASN ALA GLN SEQRES 8 A 135 GLU CYS ILE GLN ASP PHE ASN THR MET PHE THR ASN CYS SEQRES 9 A 135 TYR ILE TYR ASN LYS PRO GLY ASP ASP ILE VAL LEU MET SEQRES 10 A 135 ALA GLU ALA LEU GLU LYS LEU PHE LEU GLN LYS ILE ASN SEQRES 11 A 135 GLU LEU PRO THR GLU HET EFN A 205 44 ATOM 1 N HIS A 33 -26.916 41.624 7.458 1.00 46.52 N ATOM 2 CA HIS A 33 -26.220 40.903 8.568 1.00 42.22 C ATOM 3 C HIS A 33 -24.912 40.189 8.124 1.00 36.77 C ATOM 4 O HIS A 33 -24.797 39.553 7.065 1.00 31.63 O ATOM 5 CB HIS A 33 -27.176 39.972 9.313 1.00 44.90 C ATOM 6 CG HIS A 33 -26.723 39.599 10.689 1.00 50.11 C ATOM 7 ND1 HIS A 33 -26.972 38.361 11.240 1.00 54.75 N ATOM 8 CD2 HIS A 33 -26.045 40.299 11.632 1.00 54.73 C ATOM 9 CE1 HIS A 33 -26.464 38.310 12.458 1.00 55.65 C ATOM 10 NE2 HIS A 33 -25.890 39.471 12.718 1.00 56.03 N ATOM 11 HN3 HIS A 33 -27.170 40.946 6.711 1.00 0.00 H ATOM 12 HN2 HIS A 33 -26.283 42.350 7.067 1.00 0.00 H ATOM 13 HN1 HIS A 33 -27.778 42.075 7.826 1.00 0.00 H ATOM 14 N HIS A 34 -23.915 40.356 8.977 1.00 30.29 N ATOM 15 CA HIS A 34 -22.520 40.062 8.677 1.00 26.93 C ATOM 16 C HIS A 34 -22.052 38.702 9.207 1.00 26.22 C ATOM 17 O HIS A 34 -20.857 38.389 9.102 1.00 25.13 O ATOM 18 CB HIS A 34 -21.617 41.160 9.271 1.00 28.62 C ATOM 19 CG HIS A 34 -22.026 42.550 8.876 1.00 30.77 C ATOM 20 ND1 HIS A 34 -22.241 42.911 7.566 1.00 31.67 N ATOM 21 CD2 HIS A 34 -22.247 43.666 9.620 1.00 31.14 C ATOM 22 CE1 HIS A 34 -22.589 44.189 7.515 1.00 31.79 C ATOM 23 NE2 HIS A 34 -22.598 44.667 8.748 1.00 36.49 N ATOM 24 H HIS A 34 -24.142 40.721 9.924 1.00 0.00 H ATOM 25 N HIS A 35 -22.972 37.883 9.729 1.00 25.99 N ATOM 26 CA HIS A 35 -22.678 36.479 10.031 1.00 26.47 C ATOM 27 C HIS A 35 -22.968 35.705 8.746 1.00 25.48 C ATOM 28 O HIS A 35 -24.130 35.610 8.298 1.00 26.84 O ATOM 29 CB HIS A 35 -23.525 35.947 11.185 1.00 27.36 C ATOM 30 CG HIS A 35 -23.003 34.675 11.799 1.00 29.46 C ATOM 31 ND1 HIS A 35 -22.190 33.785 11.135 1.00 34.40 N ATOM 32 CD2 HIS A 35 -23.197 34.141 13.030 1.00 33.42 C ATOM 33 CE1 HIS A 35 -21.895 32.765 11.920 1.00 32.09 C ATOM 34 NE2 HIS A 35 -22.485 32.967 13.084 1.00 33.32 N ATOM 35 H HIS A 35 -23.924 38.253 9.926 1.00 0.00 H ATOM 36 N HIS A 36 -21.897 35.206 8.137 1.00 22.57 N ATOM 37 CA HIS A 36 -21.951 34.490 6.831 1.00 24.10 C ATOM 38 C HIS A 36 -21.804 32.948 6.958 1.00 26.16 C ATOM 39 O HIS A 36 -21.733 32.241 5.944 1.00 24.62 O ATOM 40 CB HIS A 36 -20.915 35.073 5.834 1.00 25.07 C ATOM 41 CG HIS A 36 -21.193 36.502 5.409 1.00 24.85 C ATOM 42 ND1 HIS A 36 -20.446 37.132 4.438 1.00 27.50 N ATOM 43 CD2 HIS A 36 -22.123 37.404 5.801 1.00 24.79 C ATOM 44 CE1 HIS A 36 -20.897 38.361 4.253 1.00 25.92 C ATOM 45 NE2 HIS A 36 -21.924 38.545 5.053 1.00 26.83 N ATOM 46 H HIS A 36 -20.971 35.321 8.597 1.00 0.00 H ATOM 47 N HIS A 37 -21.785 32.449 8.195 1.00 24.48 N ATOM 48 CA HIS A 37 -21.728 31.017 8.541 1.00 24.26 C ATOM 49 C HIS A 37 -20.499 30.323 7.969 1.00 24.23 C ATOM 50 O HIS A 37 -20.578 29.184 7.485 1.00 24.23 O ATOM 51 CB HIS A 37 -23.001 30.286 8.091 1.00 27.07 C ATOM 52 CG HIS A 37 -24.243 30.999 8.480 1.00 29.80 C ATOM 53 ND1 HIS A 37 -24.978 30.678 9.597 1.00 34.87 N ATOM 54 CD2 HIS A 37 -24.852 32.061 7.914 1.00 33.16 C ATOM 55 CE1 HIS A 37 -26.009 31.501 9.687 1.00 36.80 C ATOM 56 NE2 HIS A 37 -25.955 32.350 8.673 1.00 38.00 N ATOM 57 H HIS A 37 -21.813 33.128 8.982 1.00 0.00 H ATOM 58 N LEU A 38 -19.370 31.020 7.993 1.00 21.28 N ATOM 59 CA LEU A 38 -18.088 30.460 7.562 1.00 20.34 C ATOM 60 C LEU A 38 -17.451 29.677 8.693 1.00 21.00 C ATOM 61 O LEU A 38 -16.512 28.935 8.456 1.00 21.30 O ATOM 62 CB LEU A 38 -17.169 31.581 7.071 1.00 19.37 C ATOM 63 CG LEU A 38 -17.666 32.342 5.841 1.00 20.08 C ATOM 64 CD1 LEU A 38 -16.888 33.602 5.553 1.00 19.71 C ATOM 65 CD2 LEU A 38 -17.675 31.426 4.608 1.00 20.75 C ATOM 66 H LEU A 38 -19.397 32.003 8.331 1.00 0.00 H ATOM 67 N VAL A 39 -17.930 29.878 9.913 1.00 19.75 N ATOM 68 CA VAL A 39 -17.609 29.048 11.067 1.00 20.76 C ATOM 69 C VAL A 39 -18.914 28.788 11.861 1.00 21.64 C ATOM 70 O VAL A 39 -19.901 29.540 11.698 1.00 23.06 O ATOM 71 CB VAL A 39 -16.504 29.658 11.984 1.00 20.68 C ATOM 72 CG1 VAL A 39 -15.138 29.474 11.340 1.00 20.31 C ATOM 73 CG2 VAL A 39 -16.749 31.113 12.341 1.00 20.81 C ATOM 74 H VAL A 39 -18.577 30.680 10.056 1.00 0.00 H ATOM 75 N PRO A 40 -18.958 27.730 12.677 1.00 20.58 N ATOM 76 CA PRO A 40 -17.926 26.689 12.851 1.00 20.19 C ATOM 77 C PRO A 40 -17.799 25.794 11.624 1.00 21.63 C ATOM 78 O PRO A 40 -18.690 25.807 10.739 1.00 21.26 O ATOM 79 CB PRO A 40 -18.455 25.886 14.048 1.00 20.36 C ATOM 80 CG PRO A 40 -19.896 25.998 13.870 1.00 21.46 C ATOM 81 CD PRO A 40 -20.134 27.448 13.503 1.00 21.69 C ATOM 82 N ARG A 41 -16.680 25.063 11.581 1.00 19.32 N ATOM 83 CA ARG A 41 -16.306 24.154 10.475 1.00 22.12 C ATOM 84 C ARG A 41 -16.758 22.716 10.736 1.00 23.36 C ATOM 85 O ARG A 41 -17.147 22.359 11.855 1.00 23.20 O ATOM 86 CB ARG A 41 -14.785 24.202 10.204 1.00 23.25 C ATOM 87 CG ARG A 41 -14.162 25.596 10.108 1.00 23.72 C ATOM 88 CD ARG A 41 -14.689 26.362 8.918 1.00 22.98 C ATOM 89 NE ARG A 41 -14.302 25.761 7.650 1.00 21.54 N ATOM 90 CZ ARG A 41 -14.653 26.248 6.462 1.00 20.47 C ATOM 91 NH1 ARG A 41 -14.210 25.638 5.357 1.00 21.49 N ATOM 92 NH2 ARG A 41 -15.363 27.381 6.385 1.00 20.47 N ATOM 93 HE ARG A 41 -13.717 24.901 7.674 1.00 0.00 H ATOM 94 HH12 ARG A 41 -14.474 26.004 4.420 1.00 0.00 H ATOM 95 HH11 ARG A 41 -13.602 24.798 5.435 1.00 0.00 H ATOM 96 HH22 ARG A 41 -15.637 27.761 5.456 1.00 0.00 H ATOM 97 HH21 ARG A 41 -15.640 27.881 7.254 1.00 0.00 H ATOM 98 H ARG A 41 -16.024 25.139 12.384 1.00 0.00 H ATOM 99 N GLY A 42 -16.711 21.914 9.677 1.00 22.01 N ATOM 100 CA GLY A 42 -16.760 20.447 9.718 1.00 23.35 C ATOM 101 C GLY A 42 -15.601 19.842 10.472 1.00 23.53 C ATOM 102 O GLY A 42 -14.686 20.553 10.964 1.00 25.07 O ATOM 103 H GLY A 42 -16.633 22.363 8.742 1.00 0.00 H ATOM 104 N SER A 43 -15.648 18.515 10.586 1.00 21.52 N ATOM 105 CA SER A 43 -14.600 17.801 11.270 1.00 20.66 C ATOM 106 C SER A 43 -14.877 16.324 10.931 1.00 17.30 C ATOM 107 O SER A 43 -15.944 15.930 10.452 1.00 18.18 O ATOM 108 CB SER A 43 -14.653 18.082 12.811 1.00 19.27 C ATOM 109 OG SER A 43 -15.991 17.819 13.329 1.00 22.76 O ATOM 110 HG SER A 43 -16.643 18.407 12.871 1.00 0.00 H ATOM 111 H SER A 43 -16.448 17.990 10.178 1.00 0.00 H ATOM 112 N ASN A 44 -13.905 15.554 11.294 1.00 18.13 N ATOM 113 CA ASN A 44 -14.047 14.123 11.277 1.00 17.14 C ATOM 114 C ASN A 44 -14.593 13.739 12.630 1.00 16.28 C ATOM 115 O ASN A 44 -14.292 14.392 13.633 1.00 17.57 O ATOM 116 CB ASN A 44 -12.707 13.502 11.054 1.00 17.87 C ATOM 117 CG ASN A 44 -12.164 13.761 9.663 1.00 17.66 C ATOM 118 OD1 ASN A 44 -12.865 13.620 8.678 1.00 18.32 O ATOM 119 ND2 ASN A 44 -10.882 14.170 9.611 1.00 19.03 N ATOM 120 HD22 ASN A 44 -10.333 14.272 10.488 1.00 0.00 H ATOM 121 HD21 ASN A 44 -10.441 14.384 8.694 1.00 0.00 H ATOM 122 H ASN A 44 -13.006 15.976 11.603 1.00 0.00 H ATOM 123 N PRO A 45 -15.366 12.680 12.697 1.00 15.47 N ATOM 124 CA PRO A 45 -15.767 12.181 14.003 1.00 14.51 C ATOM 125 C PRO A 45 -14.617 11.521 14.716 1.00 14.82 C ATOM 126 O PRO A 45 -13.598 11.204 14.107 1.00 15.63 O ATOM 127 CB PRO A 45 -16.809 11.095 13.652 1.00 14.90 C ATOM 128 CG PRO A 45 -16.347 10.604 12.314 1.00 15.98 C ATOM 129 CD PRO A 45 -15.704 11.742 11.615 1.00 15.95 C ATOM 130 N PRO A 46 -14.768 11.299 16.015 1.00 15.83 N ATOM 131 CA PRO A 46 -13.760 10.494 16.698 1.00 17.76 C ATOM 132 C PRO A 46 -13.719 9.125 16.072 1.00 17.10 C ATOM 133 O PRO A 46 -14.759 8.582 15.684 1.00 18.28 O ATOM 134 CB PRO A 46 -14.244 10.418 18.138 1.00 19.09 C ATOM 135 CG PRO A 46 -15.685 10.788 18.094 1.00 20.36 C ATOM 136 CD PRO A 46 -15.892 11.675 16.870 1.00 16.92 C ATOM 137 N PRO A 47 -12.513 8.553 16.003 1.00 16.03 N ATOM 138 CA PRO A 47 -12.373 7.256 15.390 1.00 16.42 C ATOM 139 C PRO A 47 -12.918 6.149 16.269 1.00 15.46 C ATOM 140 O PRO A 47 -13.142 6.349 17.477 1.00 17.31 O ATOM 141 CB PRO A 47 -10.856 7.138 15.203 1.00 17.89 C ATOM 142 CG PRO A 47 -10.305 7.855 16.329 1.00 18.98 C ATOM 143 CD PRO A 47 -11.242 9.033 16.527 1.00 18.50 C ATOM 144 N PRO A 48 -13.157 4.988 15.700 1.00 14.75 N ATOM 145 CA PRO A 48 -13.557 3.838 16.520 1.00 14.98 C ATOM 146 C PRO A 48 -12.552 3.506 17.613 1.00 15.76 C ATOM 147 O PRO A 48 -11.347 3.676 17.436 1.00 14.97 O ATOM 148 CB PRO A 48 -13.626 2.710 15.497 1.00 16.21 C ATOM 149 CG PRO A 48 -13.842 3.384 14.208 1.00 15.84 C ATOM 150 CD PRO A 48 -13.002 4.584 14.276 1.00 15.36 C ATOM 151 N GLU A 49 -13.036 3.035 18.771 1.00 16.05 N ATOM 152 CA GLU A 49 -12.096 2.645 19.801 1.00 17.33 C ATOM 153 C GLU A 49 -11.237 1.475 19.394 1.00 15.42 C ATOM 154 O GLU A 49 -11.659 0.612 18.620 1.00 14.58 O ATOM 155 CB GLU A 49 -12.813 2.298 21.125 1.00 19.74 C ATOM 156 CG GLU A 49 -13.609 1.003 21.078 1.00 24.58 C ATOM 157 CD GLU A 49 -14.397 0.698 22.355 1.00 27.56 C ATOM 158 OE1 GLU A 49 -14.966 -0.434 22.524 1.00 27.02 O ATOM 159 OE2 GLU A 49 -14.492 1.620 23.177 1.00 31.57 O ATOM 160 H GLU A 49 -14.061 2.952 18.926 1.00 0.00 H ATOM 161 N THR A 50 -10.002 1.485 19.904 1.00 15.46 N ATOM 162 CA THR A 50 -9.093 0.380 19.754 1.00 15.77 C ATOM 163 C THR A 50 -8.686 -0.260 21.079 1.00 14.47 C ATOM 164 O THR A 50 -7.975 -1.258 21.038 1.00 16.57 O ATOM 165 CB THR A 50 -7.868 0.797 18.982 1.00 16.28 C ATOM 166 OG1 THR A 50 -7.207 1.858 19.675 1.00 19.75 O ATOM 167 CG2 THR A 50 -8.273 1.258 17.581 1.00 17.13 C ATOM 168 HG1 THR A 50 -6.402 2.131 19.167 1.00 0.00 H ATOM 169 H THR A 50 -9.685 2.324 20.430 1.00 0.00 H ATOM 170 N SER A 51 -9.256 0.254 22.162 1.00 15.79 N ATOM 171 CA SER A 51 -9.025 -0.213 23.513 1.00 18.07 C ATOM 172 C SER A 51 -10.336 -0.098 24.188 1.00 16.83 C ATOM 173 O SER A 51 -11.127 0.819 23.938 1.00 18.82 O ATOM 174 CB SER A 51 -8.035 0.710 24.229 1.00 22.21 C ATOM 175 OG SER A 51 -6.762 0.265 23.863 1.00 29.08 O ATOM 176 HG SER A 51 -6.077 0.831 24.301 1.00 0.00 H ATOM 177 H SER A 51 -9.915 1.048 22.031 1.00 0.00 H ATOM 178 N ASN A 52 -10.534 -0.939 25.169 1.00 16.42 N ATOM 179 CA ASN A 52 -11.708 -0.851 26.038 1.00 16.79 C ATOM 180 C ASN A 52 -11.477 -1.852 27.177 1.00 16.86 C ATOM 181 O ASN A 52 -11.735 -3.033 27.014 1.00 16.07 O ATOM 182 CB ASN A 52 -13.029 -1.160 25.313 1.00 17.42 C ATOM 183 CG ASN A 52 -14.239 -1.099 26.229 1.00 18.01 C ATOM 184 OD1 ASN A 52 -14.132 -1.149 27.474 1.00 18.34 O ATOM 185 ND2 ASN A 52 -15.435 -0.983 25.602 1.00 19.87 N ATOM 186 HD22 ASN A 52 -15.476 -0.945 24.564 1.00 0.00 H ATOM 187 HD21 ASN A 52 -16.312 -0.932 26.159 1.00 0.00 H ATOM 188 H ASN A 52 -9.837 -1.692 25.337 1.00 0.00 H ATOM 189 N PRO A 53 -11.015 -1.368 28.344 1.00 15.49 N ATOM 190 CA PRO A 53 -10.668 -2.335 29.385 1.00 15.71 C ATOM 191 C PRO A 53 -11.773 -3.245 29.805 1.00 15.85 C ATOM 192 O PRO A 53 -11.500 -4.391 30.164 1.00 15.75 O ATOM 193 CB PRO A 53 -10.232 -1.434 30.540 1.00 16.35 C ATOM 194 CG PRO A 53 -9.690 -0.224 29.871 1.00 16.49 C ATOM 195 CD PRO A 53 -10.557 0.008 28.685 1.00 16.42 C ATOM 196 N ASN A 54 -13.031 -2.782 29.824 1.00 14.75 N ATOM 197 CA ASN A 54 -14.126 -3.614 30.217 1.00 14.34 C ATOM 198 C ASN A 54 -14.727 -4.500 29.138 1.00 15.40 C ATOM 199 O ASN A 54 -15.667 -5.275 29.434 1.00 17.03 O ATOM 200 CB ASN A 54 -15.207 -2.779 30.858 1.00 15.43 C ATOM 201 CG ASN A 54 -14.809 -2.304 32.224 1.00 14.96 C ATOM 202 OD1 ASN A 54 -14.333 -3.094 33.035 1.00 16.95 O ATOM 203 ND2 ASN A 54 -15.170 -1.084 32.531 1.00 16.12 N ATOM 204 HD22 ASN A 54 -15.568 -0.460 31.800 1.00 0.00 H ATOM 205 HD21 ASN A 54 -15.059 -0.739 33.506 1.00 0.00 H ATOM 206 H ASN A 54 -13.215 -1.797 29.547 1.00 0.00 H ATOM 207 N LYS A 55 -14.240 -4.392 27.912 1.00 15.69 N ATOM 208 CA LYS A 55 -14.672 -5.358 26.870 1.00 15.85 C ATOM 209 C LYS A 55 -14.027 -6.744 27.062 1.00 15.76 C ATOM 210 O LYS A 55 -12.856 -6.800 27.319 1.00 15.16 O ATOM 211 CB LYS A 55 -14.354 -4.818 25.493 1.00 15.61 C ATOM 212 CG LYS A 55 -14.916 -5.705 24.411 1.00 15.18 C ATOM 213 CD LYS A 55 -14.463 -5.306 23.026 1.00 14.98 C ATOM 214 CE LYS A 55 -14.916 -6.285 21.950 1.00 14.09 C ATOM 215 NZ LYS A 55 -14.403 -7.650 22.177 1.00 14.17 N ATOM 216 HZ1 LYS A 55 -13.363 -7.633 22.178 1.00 0.00 H ATOM 217 HZ2 LYS A 55 -14.746 -8.000 23.094 1.00 0.00 H ATOM 218 HZ3 LYS A 55 -14.740 -8.276 21.418 1.00 0.00 H ATOM 219 H LYS A 55 -13.562 -3.638 27.681 1.00 0.00 H ATOM 220 N PRO A 56 -14.844 -7.812 26.941 1.00 15.33 N ATOM 221 CA PRO A 56 -14.254 -9.157 26.998 1.00 16.43 C ATOM 222 C PRO A 56 -13.335 -9.424 25.806 1.00 15.80 C ATOM 223 O PRO A 56 -13.659 -9.018 24.694 1.00 16.81 O ATOM 224 CB PRO A 56 -15.462 -10.086 26.942 1.00 17.81 C ATOM 225 CG PRO A 56 -16.659 -9.277 27.185 1.00 18.83 C ATOM 226 CD PRO A 56 -16.303 -7.850 26.850 1.00 16.19 C ATOM 227 N LYS A 57 -12.217 -10.070 26.075 1.00 14.47 N ATOM 228 CA LYS A 57 -11.128 -10.303 25.068 1.00 16.15 C ATOM 229 C LYS A 57 -10.569 -11.679 25.216 1.00 17.46 C ATOM 230 O LYS A 57 -10.498 -12.187 26.331 1.00 17.48 O ATOM 231 CB LYS A 57 -9.925 -9.399 25.371 1.00 20.19 C ATOM 232 CG LYS A 57 -10.265 -7.975 25.272 1.00 23.47 C ATOM 233 CD LYS A 57 -9.118 -7.063 25.677 1.00 20.88 C ATOM 234 CE LYS A 57 -9.707 -5.696 25.714 1.00 22.79 C ATOM 235 NZ LYS A 57 -10.373 -5.451 27.018 1.00 19.39 N ATOM 236 HZ1 LYS A 57 -11.131 -6.150 27.155 1.00 0.00 H ATOM 237 HZ2 LYS A 57 -9.675 -5.539 27.784 1.00 0.00 H ATOM 238 HZ3 LYS A 57 -10.778 -4.493 27.025 1.00 0.00 H ATOM 239 H LYS A 57 -12.082 -10.438 27.038 1.00 0.00 H ATOM 240 N ARG A 58 -10.109 -12.280 24.124 1.00 17.49 N ATOM 241 CA ARG A 58 -9.404 -13.555 24.169 1.00 19.76 C ATOM 242 C ARG A 58 -8.364 -13.557 23.102 1.00 24.50 C ATOM 243 O ARG A 58 -8.468 -12.820 22.109 1.00 24.95 O ATOM 244 CB ARG A 58 -10.308 -14.725 23.834 1.00 20.75 C ATOM 245 CG ARG A 58 -11.333 -14.957 24.869 1.00 22.34 C ATOM 246 CD ARG A 58 -12.077 -16.220 24.698 1.00 22.55 C ATOM 247 NE ARG A 58 -12.690 -16.327 23.412 1.00 25.57 N ATOM 248 CZ ARG A 58 -13.501 -17.302 23.030 1.00 28.98 C ATOM 249 NH1 ARG A 58 -13.887 -18.262 23.868 1.00 30.19 N ATOM 250 NH2 ARG A 58 -13.990 -17.278 21.784 1.00 28.70 N ATOM 251 HE ARG A 58 -12.483 -15.579 22.720 1.00 0.00 H ATOM 252 HH12 ARG A 58 -14.525 -19.015 23.538 1.00 0.00 H ATOM 253 HH11 ARG A 58 -13.551 -18.259 24.852 1.00 0.00 H ATOM 254 HH22 ARG A 58 -14.629 -18.033 21.461 1.00 0.00 H ATOM 255 HH21 ARG A 58 -13.731 -16.505 21.139 1.00 0.00 H ATOM 256 H ARG A 58 -10.258 -11.823 23.202 1.00 0.00 H ATOM 257 N GLN A 59 -7.381 -14.424 23.293 1.00 23.77 N ATOM 258 CA GLN A 59 -6.481 -14.800 22.225 1.00 26.60 C ATOM 259 C GLN A 59 -6.926 -16.165 21.708 1.00 27.56 C ATOM 260 O GLN A 59 -7.243 -17.089 22.488 1.00 27.13 O ATOM 261 CB GLN A 59 -5.059 -14.786 22.747 1.00 31.28 C ATOM 262 CG GLN A 59 -4.568 -13.368 22.980 1.00 33.99 C ATOM 263 CD GLN A 59 -3.192 -13.282 23.635 1.00 41.91 C ATOM 264 OE1 GLN A 59 -2.194 -13.700 23.055 1.00 46.22 O ATOM 265 NE2 GLN A 59 -3.132 -12.712 24.838 1.00 45.61 N ATOM 266 HE22 GLN A 59 -4.001 -12.371 25.296 1.00 0.00 H ATOM 267 HE21 GLN A 59 -2.216 -12.608 25.319 1.00 0.00 H ATOM 268 H GLN A 59 -7.253 -14.845 24.235 1.00 0.00 H ATOM 269 N THR A 60 -7.101 -16.298 20.403 1.00 22.20 N ATOM 270 CA THR A 60 -7.461 -17.559 19.799 1.00 20.91 C ATOM 271 C THR A 60 -6.648 -17.803 18.542 1.00 22.68 C ATOM 272 O THR A 60 -6.075 -16.869 17.960 1.00 22.32 O ATOM 273 CB THR A 60 -8.909 -17.643 19.389 1.00 22.74 C ATOM 274 OG1 THR A 60 -9.104 -16.838 18.215 1.00 20.88 O ATOM 275 CG2 THR A 60 -9.837 -17.129 20.486 1.00 21.50 C ATOM 276 HG1 THR A 60 -10.053 -16.886 17.937 1.00 0.00 H ATOM 277 H THR A 60 -6.975 -15.466 19.792 1.00 0.00 H ATOM 278 N ASN A 61 -6.645 -19.057 18.112 1.00 24.35 N ATOM 279 CA ASN A 61 -5.895 -19.441 16.936 1.00 26.84 C ATOM 280 C ASN A 61 -6.383 -18.668 15.733 1.00 22.45 C ATOM 281 O ASN A 61 -5.566 -18.257 14.871 1.00 23.83 O ATOM 282 CB ASN A 61 -5.972 -20.967 16.687 1.00 29.05 C ATOM 283 CG ASN A 61 -4.993 -21.747 17.537 1.00 36.28 C ATOM 284 OD1 ASN A 61 -4.050 -21.192 18.103 1.00 44.31 O ATOM 285 ND2 ASN A 61 -5.214 -23.054 17.631 1.00 41.36 N ATOM 286 HD22 ASN A 61 -6.023 -23.482 17.136 1.00 0.00 H ATOM 287 HD21 ASN A 61 -4.578 -23.649 18.199 1.00 0.00 H ATOM 288 H ASN A 61 -7.191 -19.776 18.628 1.00 0.00 H ATOM 289 N GLN A 62 -7.686 -18.517 15.631 1.00 23.43 N ATOM 290 CA GLN A 62 -8.310 -17.823 14.493 1.00 19.28 C ATOM 291 C GLN A 62 -7.954 -16.329 14.511 1.00 19.68 C ATOM 292 O GLN A 62 -7.595 -15.770 13.462 1.00 19.45 O ATOM 293 CB GLN A 62 -9.810 -18.065 14.417 1.00 21.51 C ATOM 294 CG GLN A 62 -10.173 -19.549 14.275 1.00 23.50 C ATOM 295 CD GLN A 62 -11.658 -19.771 14.192 1.00 25.28 C ATOM 296 OE1 GLN A 62 -12.400 -19.009 14.784 1.00 23.84 O ATOM 297 NE2 GLN A 62 -12.112 -20.776 13.443 1.00 24.06 N ATOM 298 HE22 GLN A 62 -11.442 -21.404 12.954 1.00 0.00 H ATOM 299 HE21 GLN A 62 -13.136 -20.932 13.348 1.00 0.00 H ATOM 300 H GLN A 62 -8.296 -18.901 16.380 1.00 0.00 H ATOM 301 N LEU A 63 -7.872 -15.707 15.689 1.00 18.23 N ATOM 302 CA LEU A 63 -7.528 -14.307 15.761 1.00 17.33 C ATOM 303 C LEU A 63 -6.018 -14.058 15.469 1.00 18.93 C ATOM 304 O LEU A 63 -5.641 -13.055 14.825 1.00 18.47 O ATOM 305 CB LEU A 63 -7.971 -13.714 17.113 1.00 16.80 C ATOM 306 CG LEU A 63 -9.439 -13.458 17.306 1.00 16.08 C ATOM 307 CD1 LEU A 63 -9.632 -13.267 18.806 1.00 16.48 C ATOM 308 CD2 LEU A 63 -9.791 -12.206 16.524 1.00 15.24 C ATOM 309 H LEU A 63 -8.058 -16.237 16.564 1.00 0.00 H ATOM 310 N GLN A 64 -5.131 -14.957 15.897 1.00 19.88 N ATOM 311 CA GLN A 64 -3.724 -14.889 15.529 1.00 22.28 C ATOM 312 C GLN A 64 -3.563 -14.979 14.011 1.00 19.54 C ATOM 313 O GLN A 64 -2.792 -14.197 13.455 1.00 20.55 O ATOM 314 CB GLN A 64 -2.985 -16.053 16.209 1.00 23.01 C ATOM 315 CG GLN A 64 -2.735 -15.709 17.664 1.00 29.82 C ATOM 316 CD GLN A 64 -2.195 -16.850 18.509 1.00 35.63 C ATOM 317 OE1 GLN A 64 -2.359 -18.032 18.199 1.00 40.45 O ATOM 318 NE2 GLN A 64 -1.570 -16.488 19.618 1.00 41.00 N ATOM 319 HE22 GLN A 64 -1.452 -15.479 19.843 1.00 0.00 H ATOM 320 HE21 GLN A 64 -1.196 -17.212 20.264 1.00 0.00 H ATOM 321 H GLN A 64 -5.454 -15.730 16.513 1.00 0.00 H ATOM 322 N TYR A 65 -4.324 -15.868 13.398 1.00 19.73 N ATOM 323 CA TYR A 65 -4.299 -16.004 11.930 1.00 20.20 C ATOM 324 C TYR A 65 -4.816 -14.716 11.273 1.00 20.86 C ATOM 325 O TYR A 65 -4.253 -14.243 10.264 1.00 19.12 O ATOM 326 CB TYR A 65 -5.081 -17.209 11.491 1.00 21.57 C ATOM 327 CG TYR A 65 -5.221 -17.420 9.972 1.00 21.90 C ATOM 328 CD1 TYR A 65 -6.316 -16.943 9.287 1.00 23.52 C ATOM 329 CD2 TYR A 65 -4.302 -18.198 9.272 1.00 23.08 C ATOM 330 CE1 TYR A 65 -6.498 -17.162 7.939 1.00 22.43 C ATOM 331 CE2 TYR A 65 -4.460 -18.429 7.898 1.00 22.86 C ATOM 332 CZ TYR A 65 -5.574 -17.922 7.243 1.00 24.06 C ATOM 333 OH TYR A 65 -5.783 -18.154 5.904 1.00 26.27 O ATOM 334 HH TYR A 65 -6.624 -17.714 5.621 1.00 0.00 H ATOM 335 H TYR A 65 -4.950 -16.481 13.959 1.00 0.00 H ATOM 336 N LEU A 66 -5.860 -14.131 11.843 1.00 17.01 N ATOM 337 CA LEU A 66 -6.428 -12.908 11.275 1.00 16.77 C ATOM 338 C LEU A 66 -5.426 -11.782 11.286 1.00 17.66 C ATOM 339 O LEU A 66 -5.410 -10.953 10.367 1.00 17.40 O ATOM 340 CB LEU A 66 -7.747 -12.570 11.997 1.00 16.30 C ATOM 341 CG LEU A 66 -8.982 -13.351 11.530 1.00 17.94 C ATOM 342 CD1 LEU A 66 -10.103 -13.323 12.574 1.00 17.88 C ATOM 343 CD2 LEU A 66 -9.468 -12.827 10.210 1.00 20.03 C ATOM 344 H LEU A 66 -6.279 -14.544 12.701 1.00 0.00 H ATOM 345 N LEU A 67 -4.538 -11.720 12.251 1.00 16.84 N ATOM 346 CA LEU A 67 -3.478 -10.720 12.261 1.00 18.86 C ATOM 347 C LEU A 67 -2.324 -11.098 11.325 1.00 21.02 C ATOM 348 O LEU A 67 -1.926 -10.293 10.454 1.00 20.49 O ATOM 349 CB LEU A 67 -2.937 -10.443 13.679 1.00 19.43 C ATOM 350 CG LEU A 67 -1.842 -9.404 13.841 1.00 20.80 C ATOM 351 CD1 LEU A 67 -2.189 -8.039 13.220 1.00 22.02 C ATOM 352 CD2 LEU A 67 -1.445 -9.152 15.277 1.00 22.47 C ATOM 353 H LEU A 67 -4.593 -12.405 13.032 1.00 0.00 H ATOM 354 N ARG A 68 -1.763 -12.290 11.527 1.00 21.60 N ATOM 355 CA ARG A 68 -0.466 -12.648 10.926 1.00 23.82 C ATOM 356 C ARG A 68 -0.648 -12.888 9.447 1.00 22.86 C ATOM 357 O ARG A 68 0.251 -12.472 8.676 1.00 25.29 O ATOM 358 CB ARG A 68 0.109 -13.881 11.638 1.00 24.41 C ATOM 359 CG ARG A 68 1.502 -14.342 11.198 1.00 27.81 C ATOM 360 CD ARG A 68 1.803 -15.771 11.736 1.00 26.74 C ATOM 361 NE ARG A 68 0.988 -16.788 11.053 1.00 28.59 N ATOM 362 CZ ARG A 68 -0.050 -17.467 11.551 1.00 30.91 C ATOM 363 NH1 ARG A 68 -0.714 -18.305 10.771 1.00 31.55 N ATOM 364 NH2 ARG A 68 -0.468 -17.308 12.807 1.00 34.27 N ATOM 365 HE ARG A 68 1.250 -17.003 10.070 1.00 0.00 H ATOM 366 HH12 ARG A 68 -1.523 -18.838 11.150 1.00 0.00 H ATOM 367 HH11 ARG A 68 -0.427 -18.431 9.779 1.00 0.00 H ATOM 368 HH22 ARG A 68 -1.280 -17.855 13.158 1.00 0.00 H ATOM 369 HH21 ARG A 68 0.018 -16.637 13.436 1.00 0.00 H ATOM 370 H ARG A 68 -2.253 -12.986 12.124 1.00 0.00 H ATOM 371 N VAL A 69 -1.799 -13.437 9.030 1.00 21.68 N ATOM 372 CA VAL A 69 -2.078 -13.737 7.629 1.00 22.33 C ATOM 373 C VAL A 69 -3.075 -12.782 6.955 1.00 23.30 C ATOM 374 O VAL A 69 -2.804 -12.270 5.855 1.00 23.50 O ATOM 375 CB VAL A 69 -2.572 -15.183 7.467 1.00 23.47 C ATOM 376 CG1 VAL A 69 -2.948 -15.494 6.035 1.00 25.75 C ATOM 377 CG2 VAL A 69 -1.496 -16.151 7.941 1.00 25.05 C ATOM 378 H VAL A 69 -2.527 -13.659 9.739 1.00 0.00 H ATOM 379 N VAL A 70 -4.256 -12.589 7.515 1.00 19.86 N ATOM 380 CA VAL A 70 -5.295 -11.883 6.778 1.00 19.79 C ATOM 381 C VAL A 70 -4.965 -10.383 6.724 1.00 20.27 C ATOM 382 O VAL A 70 -4.766 -9.767 5.639 1.00 19.58 O ATOM 383 CB VAL A 70 -6.711 -12.144 7.354 1.00 19.30 C ATOM 384 CG1 VAL A 70 -7.773 -11.361 6.604 1.00 19.76 C ATOM 385 CG2 VAL A 70 -7.038 -13.636 7.325 1.00 20.93 C ATOM 386 H VAL A 70 -4.443 -12.939 8.476 1.00 0.00 H ATOM 387 N LEU A 71 -4.872 -9.763 7.877 1.00 17.80 N ATOM 388 CA LEU A 71 -4.638 -8.354 7.947 1.00 17.28 C ATOM 389 C LEU A 71 -3.285 -8.053 7.275 1.00 20.19 C ATOM 390 O LEU A 71 -3.208 -7.143 6.450 1.00 20.04 O ATOM 391 CB LEU A 71 -4.670 -7.857 9.393 1.00 17.93 C ATOM 392 CG LEU A 71 -4.403 -6.369 9.700 1.00 18.75 C ATOM 393 CD1 LEU A 71 -2.987 -5.874 9.516 1.00 19.66 C ATOM 394 CD2 LEU A 71 -5.397 -5.509 8.924 1.00 19.37 C ATOM 395 H LEU A 71 -4.970 -10.307 8.758 1.00 0.00 H ATOM 396 N LYS A 72 -2.215 -8.778 7.599 1.00 21.55 N ATOM 397 CA LYS A 72 -0.890 -8.346 7.111 1.00 24.33 C ATOM 398 C LYS A 72 -0.739 -8.536 5.616 1.00 25.40 C ATOM 399 O LYS A 72 -0.031 -7.741 4.986 1.00 27.83 O ATOM 400 CB LYS A 72 0.245 -8.919 7.942 1.00 28.01 C ATOM 401 CG LYS A 72 0.345 -8.170 9.255 1.00 31.91 C ATOM 402 CD LYS A 72 1.399 -8.707 10.198 1.00 36.76 C ATOM 403 CE LYS A 72 1.325 -7.940 11.505 1.00 41.84 C ATOM 404 NZ LYS A 72 2.640 -7.966 12.195 1.00 43.87 N ATOM 405 HZ1 LYS A 72 2.906 -8.951 12.394 1.00 0.00 H ATOM 406 HZ2 LYS A 72 3.359 -7.528 11.585 1.00 0.00 H ATOM 407 HZ3 LYS A 72 2.572 -7.437 13.088 1.00 0.00 H ATOM 408 H LYS A 72 -2.311 -9.632 8.185 1.00 0.00 H ATOM 409 N THR A 73 -1.501 -9.421 5.011 1.00 24.51 N ATOM 410 CA THR A 73 -1.418 -9.561 3.555 1.00 26.77 C ATOM 411 C THR A 73 -2.198 -8.454 2.885 1.00 25.03 C ATOM 412 O THR A 73 -1.743 -7.925 1.856 1.00 23.31 O ATOM 413 CB THR A 73 -1.839 -10.927 3.042 1.00 30.07 C ATOM 414 OG1 THR A 73 -3.226 -11.157 3.247 1.00 38.35 O ATOM 415 CG2 THR A 73 -1.041 -11.995 3.718 1.00 26.56 C ATOM 416 HG1 THR A 73 -3.428 -11.110 4.215 1.00 0.00 H ATOM 417 H THR A 73 -2.155 -10.015 5.560 1.00 0.00 H ATOM 418 N LEU A 74 -3.385 -8.132 3.380 1.00 21.03 N ATOM 419 CA LEU A 74 -4.149 -7.043 2.809 1.00 20.07 C ATOM 420 C LEU A 74 -3.434 -5.735 3.002 1.00 20.62 C ATOM 421 O LEU A 74 -3.472 -4.891 2.112 1.00 17.91 O ATOM 422 CB LEU A 74 -5.544 -6.946 3.458 1.00 21.01 C ATOM 423 CG LEU A 74 -6.447 -8.147 3.184 1.00 26.12 C ATOM 424 CD1 LEU A 74 -7.769 -7.887 3.899 1.00 27.72 C ATOM 425 CD2 LEU A 74 -6.703 -8.397 1.714 1.00 28.82 C ATOM 426 H LEU A 74 -3.770 -8.666 4.185 1.00 0.00 H ATOM 427 N TRP A 75 -2.819 -5.517 4.146 1.00 18.61 N ATOM 428 CA TRP A 75 -2.154 -4.267 4.501 1.00 19.77 C ATOM 429 C TRP A 75 -1.052 -3.881 3.513 1.00 19.73 C ATOM 430 O TRP A 75 -0.914 -2.700 3.183 1.00 22.50 O ATOM 431 CB TRP A 75 -1.597 -4.371 5.946 1.00 20.72 C ATOM 432 CG TRP A 75 -1.079 -3.130 6.498 1.00 20.60 C ATOM 433 CD1 TRP A 75 0.220 -2.707 6.473 1.00 21.65 C ATOM 434 CD2 TRP A 75 -1.807 -2.102 7.180 1.00 17.61 C ATOM 435 NE1 TRP A 75 0.338 -1.490 7.012 1.00 21.41 N ATOM 436 CE2 TRP A 75 -0.885 -1.087 7.503 1.00 19.43 C ATOM 437 CE3 TRP A 75 -3.136 -1.927 7.532 1.00 17.10 C ATOM 438 CZ2 TRP A 75 -1.252 0.063 8.180 1.00 17.70 C ATOM 439 CZ3 TRP A 75 -3.491 -0.790 8.193 1.00 15.59 C ATOM 440 CH2 TRP A 75 -2.571 0.187 8.527 1.00 16.06 C ATOM 441 HE1 TRP A 75 1.216 -0.934 7.054 1.00 0.00 H ATOM 442 H TRP A 75 -2.806 -6.288 4.844 1.00 0.00 H ATOM 443 N LYS A 76 -0.297 -4.875 3.080 1.00 21.26 N ATOM 444 CA LYS A 76 0.839 -4.685 2.175 1.00 20.96 C ATOM 445 C LYS A 76 0.394 -4.556 0.708 1.00 21.35 C ATOM 446 O LYS A 76 1.213 -4.336 -0.193 1.00 21.65 O ATOM 447 CB LYS A 76 1.784 -5.894 2.296 1.00 26.93 C ATOM 448 CG LYS A 76 2.478 -6.098 3.631 1.00 33.63 C ATOM 449 CD LYS A 76 3.083 -7.516 3.699 1.00 39.87 C ATOM 450 CE LYS A 76 4.563 -7.535 4.027 1.00 47.98 C ATOM 451 NZ LYS A 76 4.840 -7.091 5.426 1.00 52.03 N ATOM 452 HZ1 LYS A 76 4.494 -6.119 5.555 1.00 0.00 H ATOM 453 HZ2 LYS A 76 4.354 -7.725 6.092 1.00 0.00 H ATOM 454 HZ3 LYS A 76 5.865 -7.121 5.602 1.00 0.00 H ATOM 455 H LYS A 76 -0.520 -5.840 3.397 1.00 0.00 H ATOM 456 N HIS A 77 -0.877 -4.744 0.416 1.00 15.24 N ATOM 457 CA HIS A 77 -1.374 -4.730 -0.961 1.00 15.55 C ATOM 458 C HIS A 77 -1.432 -3.286 -1.467 1.00 15.76 C ATOM 459 O HIS A 77 -1.708 -2.351 -0.734 1.00 15.33 O ATOM 460 CB HIS A 77 -2.764 -5.318 -1.008 1.00 14.99 C ATOM 461 CG HIS A 77 -3.236 -5.667 -2.368 1.00 14.77 C ATOM 462 ND1 HIS A 77 -3.727 -4.744 -3.266 1.00 14.71 N ATOM 463 CD2 HIS A 77 -3.265 -6.845 -3.018 1.00 15.95 C ATOM 464 CE1 HIS A 77 -4.068 -5.340 -4.389 1.00 15.47 C ATOM 465 NE2 HIS A 77 -3.791 -6.626 -4.269 1.00 16.92 N ATOM 466 H HIS A 77 -1.551 -4.908 1.191 1.00 0.00 H ATOM 467 N GLN A 78 -1.072 -3.113 -2.746 1.00 16.44 N ATOM 468 CA GLN A 78 -1.098 -1.784 -3.355 1.00 15.75 C ATOM 469 C GLN A 78 -2.454 -1.092 -3.406 1.00 14.63 C ATOM 470 O GLN A 78 -2.494 0.111 -3.660 1.00 14.83 O ATOM 471 CB GLN A 78 -0.530 -1.814 -4.792 1.00 17.24 C ATOM 472 CG GLN A 78 -1.354 -2.623 -5.725 1.00 16.60 C ATOM 473 CD GLN A 78 -1.064 -2.373 -7.187 1.00 19.00 C ATOM 474 OE1 GLN A 78 -0.439 -1.343 -7.554 1.00 23.22 O ATOM 475 NE2 GLN A 78 -1.527 -3.246 -8.035 1.00 17.62 N ATOM 476 HE22 GLN A 78 -2.038 -4.084 -7.692 1.00 0.00 H ATOM 477 HE21 GLN A 78 -1.386 -3.105 -9.056 1.00 0.00 H ATOM 478 H GLN A 78 -0.771 -3.932 -3.311 1.00 0.00 H ATOM 479 N PHE A 79 -3.533 -1.809 -3.089 1.00 13.40 N ATOM 480 CA PHE A 79 -4.840 -1.198 -2.993 1.00 13.93 C ATOM 481 C PHE A 79 -5.247 -0.901 -1.568 1.00 14.69 C ATOM 482 O PHE A 79 -6.362 -0.413 -1.361 1.00 14.62 O ATOM 483 CB PHE A 79 -5.893 -2.079 -3.643 1.00 14.37 C ATOM 484 CG PHE A 79 -5.802 -2.230 -5.136 1.00 14.07 C ATOM 485 CD1 PHE A 79 -5.025 -1.428 -5.955 1.00 14.65 C ATOM 486 CD2 PHE A 79 -6.577 -3.230 -5.753 1.00 14.53 C ATOM 487 CE1 PHE A 79 -4.968 -1.669 -7.324 1.00 15.43 C ATOM 488 CE2 PHE A 79 -6.555 -3.441 -7.098 1.00 15.46 C ATOM 489 CZ PHE A 79 -5.748 -2.683 -7.900 1.00 15.37 C ATOM 490 H PHE A 79 -3.432 -2.828 -2.907 1.00 0.00 H ATOM 491 N ALA A 80 -4.376 -1.124 -0.602 1.00 14.62 N ATOM 492 CA ALA A 80 -4.783 -0.975 0.801 1.00 14.80 C ATOM 493 C ALA A 80 -4.922 0.444 1.234 1.00 14.59 C ATOM 494 O ALA A 80 -5.635 0.728 2.188 1.00 14.60 O ATOM 495 CB ALA A 80 -3.774 -1.653 1.703 1.00 14.95 C ATOM 496 H ALA A 80 -3.402 -1.405 -0.834 1.00 0.00 H ATOM 497 N TRP A 81 -4.171 1.388 0.639 1.00 14.25 N ATOM 498 CA TRP A 81 -4.020 2.685 1.216 1.00 13.41 C ATOM 499 C TRP A 81 -5.294 3.479 1.573 1.00 12.47 C ATOM 500 O TRP A 81 -5.253 4.186 2.568 1.00 14.02 O ATOM 501 CB TRP A 81 -3.036 3.558 0.377 1.00 13.79 C ATOM 502 CG TRP A 81 -3.397 3.734 -1.036 1.00 14.05 C ATOM 503 CD1 TRP A 81 -3.054 2.922 -2.088 1.00 13.37 C ATOM 504 CD2 TRP A 81 -4.220 4.775 -1.597 1.00 12.14 C ATOM 505 NE1 TRP A 81 -3.619 3.380 -3.274 1.00 14.37 N ATOM 506 CE2 TRP A 81 -4.310 4.521 -2.998 1.00 13.55 C ATOM 507 CE3 TRP A 81 -4.893 5.907 -1.087 1.00 13.68 C ATOM 508 CZ2 TRP A 81 -5.020 5.346 -3.859 1.00 13.97 C ATOM 509 CZ3 TRP A 81 -5.580 6.703 -2.018 1.00 13.49 C ATOM 510 CH2 TRP A 81 -5.635 6.391 -3.353 1.00 13.48 C ATOM 511 HE1 TRP A 81 -3.530 2.930 -4.207 1.00 0.00 H ATOM 512 H TRP A 81 -3.692 1.169 -0.258 1.00 0.00 H ATOM 513 N PRO A 82 -6.392 3.400 0.767 1.00 12.78 N ATOM 514 CA PRO A 82 -7.561 4.172 1.169 1.00 12.10 C ATOM 515 C PRO A 82 -8.170 3.631 2.461 1.00 12.68 C ATOM 516 O PRO A 82 -9.047 4.292 3.031 1.00 13.78 O ATOM 517 CB PRO A 82 -8.548 3.991 0.021 1.00 12.79 C ATOM 518 CG PRO A 82 -7.674 3.614 -1.173 1.00 12.51 C ATOM 519 CD PRO A 82 -6.630 2.745 -0.532 1.00 12.44 C ATOM 520 N PHE A 83 -7.804 2.388 2.804 1.00 12.38 N ATOM 521 CA PHE A 83 -8.426 1.612 3.881 1.00 12.95 C ATOM 522 C PHE A 83 -7.514 1.495 5.077 1.00 14.22 C ATOM 523 O PHE A 83 -7.906 0.830 6.071 1.00 14.76 O ATOM 524 CB PHE A 83 -8.814 0.220 3.317 1.00 14.20 C ATOM 525 CG PHE A 83 -9.687 0.291 2.128 1.00 13.51 C ATOM 526 CD1 PHE A 83 -11.031 0.663 2.174 1.00 14.05 C ATOM 527 CD2 PHE A 83 -9.141 0.103 0.881 1.00 12.97 C ATOM 528 CE1 PHE A 83 -11.804 0.770 1.031 1.00 13.98 C ATOM 529 CE2 PHE A 83 -9.903 0.209 -0.276 1.00 14.16 C ATOM 530 CZ PHE A 83 -11.252 0.552 -0.236 1.00 13.55 C ATOM 531 H PHE A 83 -7.028 1.945 2.271 1.00 0.00 H ATOM 532 N GLN A 84 -6.359 2.146 5.121 1.00 13.26 N ATOM 533 CA GLN A 84 -5.358 1.950 6.203 1.00 14.24 C ATOM 534 C GLN A 84 -5.567 2.861 7.415 1.00 14.11 C ATOM 535 O GLN A 84 -4.776 2.820 8.349 1.00 16.06 O ATOM 536 CB GLN A 84 -3.926 2.129 5.652 1.00 15.37 C ATOM 537 CG GLN A 84 -3.471 0.950 4.864 1.00 16.00 C ATOM 538 CD GLN A 84 -2.115 1.185 4.228 1.00 17.25 C ATOM 539 OE1 GLN A 84 -1.778 2.311 3.877 1.00 19.22 O ATOM 540 NE2 GLN A 84 -1.349 0.131 4.083 1.00 19.02 N ATOM 541 HE22 GLN A 84 -1.683 -0.802 4.398 1.00 0.00 H ATOM 542 HE21 GLN A 84 -0.407 0.228 3.653 1.00 0.00 H ATOM 543 H GLN A 84 -6.144 2.825 4.363 1.00 0.00 H ATOM 544 N GLN A 85 -6.603 3.701 7.357 1.00 12.85 N ATOM 545 CA GLN A 85 -6.839 4.689 8.417 1.00 14.10 C ATOM 546 C GLN A 85 -8.296 5.080 8.385 1.00 13.08 C ATOM 547 O GLN A 85 -8.949 4.912 7.346 1.00 13.44 O ATOM 548 CB GLN A 85 -5.961 5.919 8.308 1.00 14.47 C ATOM 549 CG GLN A 85 -6.160 6.695 7.022 1.00 15.68 C ATOM 550 CD GLN A 85 -5.584 6.018 5.779 1.00 15.35 C ATOM 551 OE1 GLN A 85 -4.426 5.553 5.845 1.00 18.55 O ATOM 552 NE2 GLN A 85 -6.371 5.944 4.688 1.00 17.75 N ATOM 553 HE22 GLN A 85 -7.326 6.355 4.707 1.00 0.00 H ATOM 554 HE21 GLN A 85 -6.023 5.476 3.827 1.00 0.00 H ATOM 555 H GLN A 85 -7.254 3.655 6.547 1.00 0.00 H ATOM 556 N PRO A 86 -8.833 5.574 9.496 1.00 13.82 N ATOM 557 CA PRO A 86 -10.169 6.148 9.464 1.00 14.71 C ATOM 558 C PRO A 86 -10.315 7.150 8.344 1.00 15.43 C ATOM 559 O PRO A 86 -9.394 7.910 8.064 1.00 16.81 O ATOM 560 CB PRO A 86 -10.297 6.787 10.845 1.00 15.12 C ATOM 561 CG PRO A 86 -9.417 5.961 11.728 1.00 14.47 C ATOM 562 CD PRO A 86 -8.274 5.581 10.850 1.00 14.94 C ATOM 563 N VAL A 87 -11.459 7.169 7.678 1.00 13.20 N ATOM 564 CA VAL A 87 -11.655 8.032 6.540 1.00 14.17 C ATOM 565 C VAL A 87 -11.509 9.477 6.994 1.00 14.81 C ATOM 566 O VAL A 87 -12.225 9.974 7.881 1.00 15.17 O ATOM 567 CB VAL A 87 -12.991 7.790 5.875 1.00 13.76 C ATOM 568 CG1 VAL A 87 -13.317 8.885 4.813 1.00 14.68 C ATOM 569 CG2 VAL A 87 -12.994 6.406 5.235 1.00 14.12 C ATOM 570 H VAL A 87 -12.234 6.547 7.983 1.00 0.00 H ATOM 571 N ASP A 88 -10.548 10.172 6.398 1.00 15.27 N ATOM 572 CA ASP A 88 -10.346 11.611 6.638 1.00 17.34 C ATOM 573 C ASP A 88 -11.169 12.379 5.621 1.00 17.99 C ATOM 574 O ASP A 88 -10.693 12.764 4.532 1.00 17.31 O ATOM 575 CB ASP A 88 -8.873 11.957 6.547 1.00 19.15 C ATOM 576 CG ASP A 88 -8.595 13.410 6.964 1.00 20.94 C ATOM 577 OD1 ASP A 88 -9.531 14.240 6.974 1.00 20.03 O ATOM 578 OD2 ASP A 88 -7.418 13.684 7.264 1.00 26.09 O ATOM 579 H ASP A 88 -9.913 9.682 5.736 1.00 0.00 H ATOM 580 N ALA A 89 -12.436 12.559 5.962 1.00 17.66 N ATOM 581 CA ALA A 89 -13.420 13.228 5.116 1.00 17.75 C ATOM 582 C ALA A 89 -13.067 14.688 4.845 1.00 18.65 C ATOM 583 O ALA A 89 -13.419 15.194 3.779 1.00 20.07 O ATOM 584 CB ALA A 89 -14.829 13.106 5.696 1.00 18.51 C ATOM 585 H ALA A 89 -12.749 12.203 6.888 1.00 0.00 H ATOM 586 N VAL A 90 -12.374 15.322 5.787 1.00 19.41 N ATOM 587 CA VAL A 90 -11.914 16.725 5.645 1.00 20.29 C ATOM 588 C VAL A 90 -10.846 16.783 4.555 1.00 21.59 C ATOM 589 O VAL A 90 -11.038 17.465 3.513 1.00 24.21 O ATOM 590 CB VAL A 90 -11.430 17.304 6.982 1.00 22.97 C ATOM 591 CG1 VAL A 90 -10.793 18.688 6.786 1.00 23.23 C ATOM 592 CG2 VAL A 90 -12.618 17.413 7.937 1.00 22.37 C ATOM 593 H VAL A 90 -12.144 14.811 6.663 1.00 0.00 H ATOM 594 N LYS A 91 -9.748 16.056 4.751 1.00 21.00 N ATOM 595 CA LYS A 91 -8.661 16.010 3.723 1.00 20.09 C ATOM 596 C LYS A 91 -9.148 15.603 2.352 1.00 20.34 C ATOM 597 O LYS A 91 -8.767 16.160 1.295 1.00 21.94 O ATOM 598 CB LYS A 91 -7.571 15.013 4.124 1.00 21.25 C ATOM 599 CG LYS A 91 -6.494 14.844 3.053 1.00 22.58 C ATOM 600 CD LYS A 91 -5.508 13.809 3.473 1.00 23.35 C ATOM 601 CE LYS A 91 -4.594 13.463 2.319 1.00 23.34 C ATOM 602 NZ LYS A 91 -3.496 12.553 2.734 1.00 26.26 N ATOM 603 HZ1 LYS A 91 -2.927 13.013 3.474 1.00 0.00 H ATOM 604 HZ2 LYS A 91 -3.901 11.670 3.105 1.00 0.00 H ATOM 605 HZ3 LYS A 91 -2.894 12.342 1.913 1.00 0.00 H ATOM 606 H LYS A 91 -9.644 15.512 5.631 1.00 0.00 H ATOM 607 N LEU A 92 -9.972 14.575 2.280 1.00 20.62 N ATOM 608 CA LEU A 92 -10.365 14.007 1.018 1.00 18.73 C ATOM 609 C LEU A 92 -11.505 14.759 0.332 1.00 18.45 C ATOM 610 O LEU A 92 -11.955 14.374 -0.746 1.00 20.53 O ATOM 611 CB LEU A 92 -10.726 12.524 1.185 1.00 18.15 C ATOM 612 CG LEU A 92 -9.604 11.695 1.785 1.00 18.91 C ATOM 613 CD1 LEU A 92 -10.127 10.304 2.101 1.00 17.62 C ATOM 614 CD2 LEU A 92 -8.415 11.632 0.857 1.00 18.23 C ATOM 615 H LEU A 92 -10.347 14.164 3.159 1.00 0.00 H ATOM 616 N ASN A 93 -12.012 15.793 1.022 1.00 19.75 N ATOM 617 CA ASN A 93 -13.077 16.601 0.491 1.00 21.13 C ATOM 618 C ASN A 93 -14.290 15.755 0.219 1.00 20.70 C ATOM 619 O ASN A 93 -14.868 15.765 -0.833 1.00 19.41 O ATOM 620 CB ASN A 93 -12.571 17.297 -0.792 1.00 25.66 C ATOM 621 CG ASN A 93 -13.215 18.584 -1.022 1.00 31.16 C ATOM 622 OD1 ASN A 93 -13.943 19.096 -0.171 1.00 33.19 O ATOM 623 ND2 ASN A 93 -12.923 19.165 -2.178 1.00 35.02 N ATOM 624 HD22 ASN A 93 -12.301 18.684 -2.859 1.00 0.00 H ATOM 625 HD21 ASN A 93 -13.316 20.101 -2.403 1.00 0.00 H ATOM 626 H ASN A 93 -11.626 16.015 1.962 1.00 0.00 H ATOM 627 N LEU A 94 -14.649 14.915 1.216 1.00 18.05 N ATOM 628 CA LEU A 94 -15.853 14.058 1.143 1.00 16.85 C ATOM 629 C LEU A 94 -16.832 14.466 2.250 1.00 18.20 C ATOM 630 O LEU A 94 -17.065 13.712 3.231 1.00 16.65 O ATOM 631 CB LEU A 94 -15.506 12.576 1.350 1.00 16.95 C ATOM 632 CG LEU A 94 -14.421 12.081 0.447 1.00 17.98 C ATOM 633 CD1 LEU A 94 -14.111 10.639 0.756 1.00 17.04 C ATOM 634 CD2 LEU A 94 -14.865 12.095 -1.028 1.00 17.91 C ATOM 635 H LEU A 94 -14.055 14.869 2.068 1.00 0.00 H ATOM 636 N PRO A 95 -17.441 15.655 2.140 1.00 16.39 N ATOM 637 CA PRO A 95 -18.202 16.144 3.275 1.00 16.44 C ATOM 638 C PRO A 95 -19.463 15.384 3.543 1.00 15.97 C ATOM 639 O PRO A 95 -20.000 15.486 4.646 1.00 15.51 O ATOM 640 CB PRO A 95 -18.520 17.603 2.849 1.00 16.35 C ATOM 641 CG PRO A 95 -18.454 17.568 1.351 1.00 16.83 C ATOM 642 CD PRO A 95 -17.200 16.735 1.159 1.00 17.63 C ATOM 643 N ASP A 96 -19.931 14.554 2.620 1.00 14.45 N ATOM 644 CA ASP A 96 -21.069 13.688 2.835 1.00 14.98 C ATOM 645 C ASP A 96 -20.722 12.361 3.484 1.00 14.67 C ATOM 646 O ASP A 96 -21.605 11.591 3.763 1.00 15.35 O ATOM 647 CB ASP A 96 -21.849 13.433 1.530 1.00 16.06 C ATOM 648 CG ASP A 96 -21.011 12.897 0.409 1.00 16.03 C ATOM 649 OD1 ASP A 96 -19.803 12.790 0.575 1.00 18.22 O ATOM 650 OD2 ASP A 96 -21.596 12.611 -0.652 1.00 20.12 O ATOM 651 H ASP A 96 -19.456 14.525 1.695 1.00 0.00 H ATOM 652 N TYR A 97 -19.423 12.051 3.666 1.00 14.12 N ATOM 653 CA TYR A 97 -19.094 10.653 3.981 1.00 14.08 C ATOM 654 C TYR A 97 -19.730 10.176 5.316 1.00 13.14 C ATOM 655 O TYR A 97 -20.338 9.155 5.340 1.00 13.77 O ATOM 656 CB TYR A 97 -17.551 10.475 4.046 1.00 13.17 C ATOM 657 CG TYR A 97 -17.195 9.009 4.244 1.00 12.86 C ATOM 658 CD1 TYR A 97 -17.197 8.145 3.185 1.00 12.37 C ATOM 659 CD2 TYR A 97 -16.921 8.496 5.507 1.00 13.22 C ATOM 660 CE1 TYR A 97 -16.948 6.778 3.352 1.00 13.39 C ATOM 661 CE2 TYR A 97 -16.652 7.136 5.708 1.00 12.82 C ATOM 662 CZ TYR A 97 -16.673 6.282 4.627 1.00 14.54 C ATOM 663 OH TYR A 97 -16.490 4.931 4.784 1.00 13.86 O ATOM 664 HH TYR A 97 -16.538 4.488 3.900 1.00 0.00 H ATOM 665 H TYR A 97 -18.680 12.775 3.586 1.00 0.00 H ATOM 666 N TYR A 98 -19.559 10.956 6.369 1.00 12.77 N ATOM 667 CA TYR A 98 -20.108 10.571 7.688 1.00 13.14 C ATOM 668 C TYR A 98 -21.586 10.929 7.804 1.00 13.90 C ATOM 669 O TYR A 98 -22.203 10.602 8.849 1.00 14.38 O ATOM 670 CB TYR A 98 -19.273 11.157 8.798 1.00 12.86 C ATOM 671 CG TYR A 98 -17.897 10.509 8.817 1.00 12.28 C ATOM 672 CD1 TYR A 98 -17.772 9.194 9.186 1.00 12.52 C ATOM 673 CD2 TYR A 98 -16.746 11.197 8.441 1.00 12.04 C ATOM 674 CE1 TYR A 98 -16.540 8.582 9.242 1.00 12.77 C ATOM 675 CE2 TYR A 98 -15.486 10.602 8.495 1.00 13.04 C ATOM 676 CZ TYR A 98 -15.382 9.284 8.916 1.00 12.46 C ATOM 677 OH TYR A 98 -14.164 8.634 9.051 1.00 13.07 O ATOM 678 HH TYR A 98 -13.701 8.617 8.176 1.00 0.00 H ATOM 679 H TYR A 98 -19.034 11.848 6.270 1.00 0.00 H ATOM 680 N LYS A 99 -22.175 11.567 6.792 1.00 13.72 N ATOM 681 CA LYS A 99 -23.649 11.649 6.717 1.00 14.75 C ATOM 682 C LYS A 99 -24.231 10.337 6.278 1.00 14.51 C ATOM 683 O LYS A 99 -25.345 9.952 6.665 1.00 15.31 O ATOM 684 CB LYS A 99 -24.066 12.687 5.696 1.00 15.20 C ATOM 685 CG LYS A 99 -23.538 14.086 5.815 1.00 19.11 C ATOM 686 CD LYS A 99 -23.647 14.638 7.158 1.00 18.19 C ATOM 687 CE LYS A 99 -23.177 16.098 7.258 1.00 17.95 C ATOM 688 NZ LYS A 99 -23.034 16.415 8.715 1.00 18.83 N ATOM 689 HZ1 LYS A 99 -23.952 16.291 9.187 1.00 0.00 H ATOM 690 HZ2 LYS A 99 -22.335 15.774 9.141 1.00 0.00 H ATOM 691 HZ3 LYS A 99 -22.716 17.399 8.825 1.00 0.00 H ATOM 692 H LYS A 99 -21.594 12.009 6.051 1.00 0.00 H ATOM 693 N ILE A 100 -23.510 9.630 5.398 1.00 14.16 N ATOM 694 CA ILE A 100 -23.960 8.371 4.822 1.00 15.32 C ATOM 695 C ILE A 100 -23.489 7.148 5.624 1.00 14.78 C ATOM 696 O ILE A 100 -24.222 6.179 5.834 1.00 15.94 O ATOM 697 CB ILE A 100 -23.490 8.281 3.349 1.00 15.54 C ATOM 698 CG1 ILE A 100 -24.186 9.379 2.516 1.00 17.12 C ATOM 699 CG2 ILE A 100 -23.739 6.930 2.763 1.00 17.39 C ATOM 700 CD1 ILE A 100 -23.428 9.725 1.242 1.00 19.09 C ATOM 701 H ILE A 100 -22.581 9.999 5.111 1.00 0.00 H ATOM 702 N ILE A 101 -22.251 7.202 6.083 1.00 13.98 N ATOM 703 CA ILE A 101 -21.635 6.081 6.794 1.00 13.85 C ATOM 704 C ILE A 101 -21.597 6.328 8.273 1.00 13.50 C ATOM 705 O ILE A 101 -20.809 7.180 8.727 1.00 13.74 O ATOM 706 CB ILE A 101 -20.220 5.842 6.226 1.00 13.86 C ATOM 707 CG1 ILE A 101 -20.279 5.491 4.714 1.00 14.64 C ATOM 708 CG2 ILE A 101 -19.518 4.765 7.011 1.00 14.21 C ATOM 709 CD1 ILE A 101 -21.102 4.297 4.375 1.00 14.68 C ATOM 710 H ILE A 101 -21.697 8.069 5.934 1.00 0.00 H ATOM 711 N LYS A 102 -22.460 5.619 8.996 1.00 13.82 N ATOM 712 CA LYS A 102 -22.653 5.812 10.448 1.00 14.72 C ATOM 713 C LYS A 102 -21.907 4.773 11.272 1.00 15.13 C ATOM 714 O LYS A 102 -21.824 4.899 12.476 1.00 15.30 O ATOM 715 CB LYS A 102 -24.149 5.787 10.841 1.00 15.42 C ATOM 716 CG LYS A 102 -25.034 6.809 10.178 1.00 17.17 C ATOM 717 CD LYS A 102 -24.451 8.214 10.329 1.00 17.48 C ATOM 718 CE LYS A 102 -25.378 9.343 9.967 1.00 18.40 C ATOM 719 NZ LYS A 102 -24.701 10.639 10.069 1.00 17.94 N ATOM 720 HZ1 LYS A 102 -24.371 10.780 11.045 1.00 0.00 H ATOM 721 HZ2 LYS A 102 -23.888 10.656 9.421 1.00 0.00 H ATOM 722 HZ3 LYS A 102 -25.366 11.397 9.813 1.00 0.00 H ATOM 723 H LYS A 102 -23.027 4.892 8.515 1.00 0.00 H ATOM 724 N THR A 103 -21.394 3.744 10.614 1.00 14.15 N ATOM 725 CA THR A 103 -20.578 2.705 11.241 1.00 14.11 C ATOM 726 C THR A 103 -19.235 2.602 10.486 1.00 14.36 C ATOM 727 O THR A 103 -18.996 1.659 9.738 1.00 14.27 O ATOM 728 CB THR A 103 -21.325 1.340 11.271 1.00 15.67 C ATOM 729 OG1 THR A 103 -22.666 1.528 11.760 1.00 18.09 O ATOM 730 CG2 THR A 103 -20.580 0.322 12.168 1.00 15.75 C ATOM 731 HG1 THR A 103 -23.135 0.656 11.777 1.00 0.00 H ATOM 732 H THR A 103 -21.582 3.671 9.594 1.00 0.00 H ATOM 733 N PRO A 104 -18.348 3.609 10.621 1.00 13.51 N ATOM 734 CA PRO A 104 -17.084 3.594 9.920 1.00 13.56 C ATOM 735 C PRO A 104 -16.203 2.465 10.435 1.00 13.25 C ATOM 736 O PRO A 104 -16.249 2.120 11.622 1.00 13.21 O ATOM 737 CB PRO A 104 -16.464 4.961 10.238 1.00 15.48 C ATOM 738 CG PRO A 104 -17.387 5.591 11.224 1.00 14.49 C ATOM 739 CD PRO A 104 -18.589 4.801 11.427 1.00 14.38 C ATOM 740 N MET A 105 -15.366 1.942 9.548 1.00 12.26 N ATOM 741 CA MET A 105 -14.384 0.973 9.952 1.00 11.49 C ATOM 742 C MET A 105 -13.290 0.951 8.926 1.00 11.56 C ATOM 743 O MET A 105 -13.579 1.148 7.713 1.00 13.24 O ATOM 744 CB MET A 105 -15.025 -0.421 10.074 1.00 11.73 C ATOM 745 CG MET A 105 -14.102 -1.492 10.682 1.00 12.44 C ATOM 746 SD MET A 105 -13.226 -1.027 12.223 1.00 13.73 S ATOM 747 CE MET A 105 -14.596 -0.593 13.331 1.00 13.74 C ATOM 748 H MET A 105 -15.421 2.236 8.552 1.00 0.00 H ATOM 749 N ASP A 106 -12.095 0.633 9.360 1.00 12.57 N ATOM 750 CA ASP A 106 -10.916 0.675 8.486 1.00 11.77 C ATOM 751 C ASP A 106 -9.880 -0.294 8.997 1.00 12.30 C ATOM 752 O ASP A 106 -9.937 -0.764 10.139 1.00 12.46 O ATOM 753 CB ASP A 106 -10.325 2.080 8.454 1.00 13.26 C ATOM 754 CG ASP A 106 -9.778 2.483 9.824 1.00 12.70 C ATOM 755 OD1 ASP A 106 -10.591 2.860 10.711 1.00 13.58 O ATOM 756 OD2 ASP A 106 -8.574 2.289 10.025 1.00 13.41 O ATOM 757 H ASP A 106 -11.978 0.343 10.352 1.00 0.00 H ATOM 758 N MET A 107 -8.917 -0.612 8.155 1.00 12.27 N ATOM 759 CA MET A 107 -7.907 -1.604 8.538 1.00 13.76 C ATOM 760 C MET A 107 -6.908 -1.104 9.551 1.00 14.42 C ATOM 761 O MET A 107 -6.228 -1.923 10.224 1.00 14.72 O ATOM 762 CB MET A 107 -7.138 -2.139 7.318 1.00 14.66 C ATOM 763 CG MET A 107 -7.929 -2.924 6.391 1.00 14.91 C ATOM 764 SD MET A 107 -6.994 -4.037 5.309 1.00 17.06 S ATOM 765 CE MET A 107 -6.175 -2.900 4.255 1.00 17.00 C ATOM 766 H MET A 107 -8.873 -0.160 7.220 1.00 0.00 H ATOM 767 N GLY A 108 -6.688 0.193 9.654 1.00 13.62 N ATOM 768 CA GLY A 108 -5.827 0.754 10.730 1.00 14.22 C ATOM 769 C GLY A 108 -6.413 0.411 12.082 1.00 13.10 C ATOM 770 O GLY A 108 -5.750 -0.018 12.987 1.00 14.95 O ATOM 771 H GLY A 108 -7.127 0.838 8.967 1.00 0.00 H ATOM 772 N THR A 109 -7.703 0.693 12.219 1.00 12.54 N ATOM 773 CA THR A 109 -8.474 0.351 13.418 1.00 12.03 C ATOM 774 C THR A 109 -8.405 -1.164 13.649 1.00 12.64 C ATOM 775 O THR A 109 -8.162 -1.578 14.787 1.00 12.14 O ATOM 776 CB THR A 109 -9.918 0.822 13.282 1.00 12.70 C ATOM 777 OG1 THR A 109 -9.879 2.236 13.189 1.00 13.02 O ATOM 778 CG2 THR A 109 -10.776 0.391 14.470 1.00 13.45 C ATOM 779 HG1 THR A 109 -9.462 2.608 14.006 1.00 0.00 H ATOM 780 H THR A 109 -8.189 1.179 11.439 1.00 0.00 H ATOM 781 N ILE A 110 -8.653 -1.987 12.638 1.00 12.27 N ATOM 782 CA ILE A 110 -8.638 -3.455 12.822 1.00 12.69 C ATOM 783 C ILE A 110 -7.248 -3.906 13.250 1.00 12.85 C ATOM 784 O ILE A 110 -7.106 -4.731 14.146 1.00 12.44 O ATOM 785 CB ILE A 110 -9.088 -4.155 11.537 1.00 12.77 C ATOM 786 CG1 ILE A 110 -10.582 -3.846 11.243 1.00 13.31 C ATOM 787 CG2 ILE A 110 -8.919 -5.669 11.625 1.00 14.08 C ATOM 788 CD1 ILE A 110 -11.008 -4.205 9.835 1.00 14.01 C ATOM 789 H ILE A 110 -8.862 -1.593 11.699 1.00 0.00 H ATOM 790 N LYS A 111 -6.199 -3.371 12.609 1.00 13.98 N ATOM 791 CA LYS A 111 -4.819 -3.724 12.950 1.00 14.48 C ATOM 792 C LYS A 111 -4.564 -3.411 14.423 1.00 14.25 C ATOM 793 O LYS A 111 -4.009 -4.276 15.155 1.00 14.47 O ATOM 794 CB LYS A 111 -3.842 -2.939 12.054 1.00 16.77 C ATOM 795 CG LYS A 111 -2.370 -3.271 12.296 1.00 17.80 C ATOM 796 CD LYS A 111 -1.563 -2.532 11.240 1.00 21.00 C ATOM 797 CE LYS A 111 -0.111 -2.994 11.252 1.00 26.12 C ATOM 798 NZ LYS A 111 0.560 -2.273 12.355 1.00 27.45 N ATOM 799 HZ1 LYS A 111 0.500 -1.249 12.185 1.00 0.00 H ATOM 800 HZ2 LYS A 111 0.092 -2.504 13.254 1.00 0.00 H ATOM 801 HZ3 LYS A 111 1.559 -2.561 12.399 1.00 0.00 H ATOM 802 H LYS A 111 -6.370 -2.685 11.847 1.00 0.00 H ATOM 803 N LYS A 112 -4.923 -2.216 14.861 1.00 14.13 N ATOM 804 CA LYS A 112 -4.684 -1.847 16.250 1.00 16.28 C ATOM 805 C LYS A 112 -5.500 -2.732 17.191 1.00 16.11 C ATOM 806 O LYS A 112 -5.015 -3.163 18.262 1.00 15.33 O ATOM 807 CB LYS A 112 -4.974 -0.387 16.518 1.00 19.97 C ATOM 808 CG LYS A 112 -4.044 0.596 15.865 1.00 27.42 C ATOM 809 CD LYS A 112 -3.911 1.909 16.624 1.00 34.31 C ATOM 810 CE LYS A 112 -3.432 3.066 15.750 1.00 39.72 C ATOM 811 NZ LYS A 112 -4.558 3.898 15.244 1.00 42.91 N ATOM 812 HZ1 LYS A 112 -5.196 3.306 14.674 1.00 0.00 H ATOM 813 HZ2 LYS A 112 -5.081 4.298 16.049 1.00 0.00 H ATOM 814 HZ3 LYS A 112 -4.181 4.669 14.657 1.00 0.00 H ATOM 815 H LYS A 112 -5.376 -1.540 14.214 1.00 0.00 H ATOM 816 N ARG A 113 -6.745 -3.009 16.839 1.00 13.20 N ATOM 817 CA ARG A 113 -7.576 -3.886 17.677 1.00 13.76 C ATOM 818 C ARG A 113 -6.906 -5.281 17.790 1.00 13.08 C ATOM 819 O ARG A 113 -6.865 -5.868 18.877 1.00 13.94 O ATOM 820 CB ARG A 113 -8.995 -3.997 17.092 1.00 13.02 C ATOM 821 CG ARG A 113 -9.888 -2.792 17.346 1.00 12.56 C ATOM 822 CD ARG A 113 -11.230 -2.928 16.670 1.00 12.45 C ATOM 823 NE ARG A 113 -12.016 -1.762 17.063 1.00 12.08 N ATOM 824 CZ ARG A 113 -13.330 -1.657 16.917 1.00 13.54 C ATOM 825 NH1 ARG A 113 -14.081 -2.582 16.328 1.00 13.95 N ATOM 826 NH2 ARG A 113 -13.882 -0.546 17.378 1.00 14.63 N ATOM 827 HE ARG A 113 -11.510 -0.958 17.487 1.00 0.00 H ATOM 828 HH12 ARG A 113 -15.108 -2.442 16.244 1.00 0.00 H ATOM 829 HH11 ARG A 113 -13.642 -3.446 15.951 1.00 0.00 H ATOM 830 HH22 ARG A 113 -14.909 -0.402 17.294 1.00 0.00 H ATOM 831 HH21 ARG A 113 -13.289 0.183 17.824 1.00 0.00 H ATOM 832 H ARG A 113 -7.138 -2.604 15.965 1.00 0.00 H ATOM 833 N LEU A 114 -6.432 -5.838 16.699 1.00 13.52 N ATOM 834 CA LEU A 114 -5.751 -7.138 16.759 1.00 13.77 C ATOM 835 C LEU A 114 -4.494 -7.067 17.564 1.00 14.53 C ATOM 836 O LEU A 114 -4.273 -7.969 18.396 1.00 15.28 O ATOM 837 CB LEU A 114 -5.399 -7.652 15.359 1.00 14.62 C ATOM 838 CG LEU A 114 -6.603 -8.097 14.557 1.00 15.31 C ATOM 839 CD1 LEU A 114 -6.247 -8.207 13.060 1.00 14.80 C ATOM 840 CD2 LEU A 114 -7.120 -9.436 15.068 1.00 15.35 C ATOM 841 H LEU A 114 -6.540 -5.354 15.785 1.00 0.00 H ATOM 842 N GLU A 115 -3.709 -6.016 17.394 1.00 15.52 N ATOM 843 CA GLU A 115 -2.455 -5.836 18.204 1.00 17.84 C ATOM 844 C GLU A 115 -2.748 -5.718 19.675 1.00 19.39 C ATOM 845 O GLU A 115 -1.974 -6.181 20.506 1.00 21.39 O ATOM 846 CB GLU A 115 -1.631 -4.662 17.699 1.00 20.09 C ATOM 847 CG GLU A 115 -1.076 -4.929 16.333 1.00 22.52 C ATOM 848 CD GLU A 115 -0.521 -3.687 15.661 1.00 22.19 C ATOM 849 OE1 GLU A 115 -0.731 -2.551 16.129 1.00 26.26 O ATOM 850 OE2 GLU A 115 0.052 -3.896 14.580 1.00 26.57 O ATOM 851 H GLU A 115 -3.965 -5.299 16.685 1.00 0.00 H ATOM 852 N ASN A 116 -3.902 -5.164 20.006 1.00 17.03 N ATOM 853 CA ASN A 116 -4.292 -4.897 21.396 1.00 17.85 C ATOM 854 C ASN A 116 -5.136 -6.033 21.923 1.00 17.97 C ATOM 855 O ASN A 116 -5.639 -5.914 23.031 1.00 21.51 O ATOM 856 CB ASN A 116 -5.122 -3.616 21.473 1.00 18.78 C ATOM 857 CG ASN A 116 -4.315 -2.375 21.289 1.00 22.17 C ATOM 858 OD1 ASN A 116 -3.097 -2.419 21.303 1.00 25.51 O ATOM 859 ND2 ASN A 116 -4.985 -1.248 21.116 1.00 21.75 N ATOM 860 HD22 ASN A 116 -6.025 -1.257 21.111 1.00 0.00 H ATOM 861 HD21 ASN A 116 -4.472 -0.353 20.985 1.00 0.00 H ATOM 862 H ASN A 116 -4.564 -4.905 19.247 1.00 0.00 H ATOM 863 N ASN A 117 -5.301 -7.123 21.194 1.00 17.83 N ATOM 864 CA ASN A 117 -6.113 -8.246 21.634 1.00 18.04 C ATOM 865 C ASN A 117 -7.529 -7.863 22.020 1.00 17.61 C ATOM 866 O ASN A 117 -8.134 -8.469 22.915 1.00 19.02 O ATOM 867 CB ASN A 117 -5.410 -8.995 22.781 1.00 20.39 C ATOM 868 CG ASN A 117 -4.050 -9.546 22.351 1.00 24.67 C ATOM 869 OD1 ASN A 117 -3.933 -10.213 21.340 1.00 28.33 O ATOM 870 ND2 ASN A 117 -3.046 -9.272 23.128 1.00 31.50 N ATOM 871 HD22 ASN A 117 -3.192 -8.698 23.983 1.00 0.00 H ATOM 872 HD21 ASN A 117 -2.096 -9.627 22.895 1.00 0.00 H ATOM 873 H ASN A 117 -4.831 -7.180 20.268 1.00 0.00 H ATOM 874 N TYR A 118 -8.114 -6.927 21.283 1.00 14.19 N ATOM 875 CA TYR A 118 -9.421 -6.311 21.574 1.00 13.92 C ATOM 876 C TYR A 118 -10.609 -7.264 21.413 1.00 13.56 C ATOM 877 O TYR A 118 -11.697 -7.034 21.993 1.00 13.71 O ATOM 878 CB TYR A 118 -9.586 -5.133 20.620 1.00 13.79 C ATOM 879 CG TYR A 118 -10.862 -4.331 20.657 1.00 13.15 C ATOM 880 CD1 TYR A 118 -11.031 -3.305 21.569 1.00 14.30 C ATOM 881 CD2 TYR A 118 -11.940 -4.602 19.819 1.00 13.56 C ATOM 882 CE1 TYR A 118 -12.173 -2.533 21.571 1.00 14.02 C ATOM 883 CE2 TYR A 118 -13.060 -3.842 19.854 1.00 13.28 C ATOM 884 CZ TYR A 118 -13.192 -2.833 20.706 1.00 15.05 C ATOM 885 OH TYR A 118 -14.358 -2.116 20.699 1.00 18.03 O ATOM 886 HH TYR A 118 -14.309 -1.402 21.383 1.00 0.00 H ATOM 887 H TYR A 118 -7.610 -6.603 20.433 1.00 0.00 H ATOM 888 N TYR A 119 -10.446 -8.247 20.528 1.00 13.16 N ATOM 889 CA TYR A 119 -11.554 -9.090 20.144 1.00 13.00 C ATOM 890 C TYR A 119 -11.735 -10.291 21.080 1.00 13.39 C ATOM 891 O TYR A 119 -10.768 -10.795 21.633 1.00 13.60 O ATOM 892 CB TYR A 119 -11.368 -9.630 18.727 1.00 12.82 C ATOM 893 CG TYR A 119 -11.315 -8.524 17.654 1.00 12.38 C ATOM 894 CD1 TYR A 119 -12.437 -7.779 17.342 1.00 12.44 C ATOM 895 CD2 TYR A 119 -10.134 -8.215 16.967 1.00 12.61 C ATOM 896 CE1 TYR A 119 -12.445 -6.830 16.358 1.00 12.12 C ATOM 897 CE2 TYR A 119 -10.151 -7.255 15.992 1.00 12.65 C ATOM 898 CZ TYR A 119 -11.284 -6.572 15.704 1.00 12.89 C ATOM 899 OH TYR A 119 -11.231 -5.669 14.668 1.00 12.96 O ATOM 900 HH TYR A 119 -12.117 -5.240 14.560 1.00 0.00 H ATOM 901 H TYR A 119 -9.508 -8.409 20.108 1.00 0.00 H ATOM 902 N TRP A 120 -12.969 -10.744 21.190 1.00 12.26 N ATOM 903 CA TRP A 120 -13.334 -11.970 21.897 1.00 13.65 C ATOM 904 C TRP A 120 -13.222 -13.194 20.981 1.00 13.96 C ATOM 905 O TRP A 120 -12.900 -14.298 21.452 1.00 14.27 O ATOM 906 CB TRP A 120 -14.740 -11.853 22.469 1.00 13.16 C ATOM 907 CG TRP A 120 -15.249 -13.103 23.153 1.00 13.85 C ATOM 908 CD1 TRP A 120 -16.059 -14.042 22.624 1.00 15.22 C ATOM 909 CD2 TRP A 120 -14.946 -13.518 24.475 1.00 13.98 C ATOM 910 NE1 TRP A 120 -16.306 -15.007 23.540 1.00 15.90 N ATOM 911 CE2 TRP A 120 -15.639 -14.704 24.692 1.00 14.26 C ATOM 912 CE3 TRP A 120 -14.185 -12.975 25.511 1.00 14.39 C ATOM 913 CZ2 TRP A 120 -15.580 -15.387 25.912 1.00 15.86 C ATOM 914 CZ3 TRP A 120 -14.153 -13.678 26.740 1.00 15.42 C ATOM 915 CH2 TRP A 120 -14.859 -14.845 26.895 1.00 15.31 C ATOM 916 HE1 TRP A 120 -16.906 -15.843 23.391 1.00 0.00 H ATOM 917 H TRP A 120 -13.731 -10.193 20.745 1.00 0.00 H ATOM 918 N ASN A 121 -13.522 -13.039 19.682 1.00 13.53 N ATOM 919 CA ASN A 121 -13.493 -14.169 18.756 1.00 14.14 C ATOM 920 C ASN A 121 -13.265 -13.662 17.365 1.00 14.86 C ATOM 921 O ASN A 121 -13.222 -12.444 17.117 1.00 14.06 O ATOM 922 CB ASN A 121 -14.799 -14.968 18.826 1.00 14.68 C ATOM 923 CG ASN A 121 -16.062 -14.175 18.492 1.00 16.88 C ATOM 924 OD1 ASN A 121 -16.018 -13.181 17.824 1.00 16.39 O ATOM 925 ND2 ASN A 121 -17.257 -14.684 18.910 1.00 20.15 N ATOM 926 HD22 ASN A 121 -17.280 -15.547 19.489 1.00 0.00 H ATOM 927 HD21 ASN A 121 -18.144 -14.209 18.649 1.00 0.00 H ATOM 928 H ASN A 121 -13.780 -12.096 19.327 1.00 0.00 H ATOM 929 N ALA A 122 -13.118 -14.596 16.433 1.00 14.98 N ATOM 930 CA ALA A 122 -12.817 -14.246 15.055 1.00 15.86 C ATOM 931 C ALA A 122 -13.981 -13.524 14.440 1.00 15.08 C ATOM 932 O ALA A 122 -13.774 -12.600 13.612 1.00 14.20 O ATOM 933 CB ALA A 122 -12.430 -15.522 14.290 1.00 17.02 C ATOM 934 H ALA A 122 -13.220 -15.597 16.694 1.00 0.00 H ATOM 935 N GLN A 123 -15.213 -13.839 14.798 1.00 14.16 N ATOM 936 CA GLN A 123 -16.387 -13.240 14.215 1.00 14.76 C ATOM 937 C GLN A 123 -16.362 -11.766 14.420 1.00 13.94 C ATOM 938 O GLN A 123 -16.692 -11.008 13.514 1.00 14.13 O ATOM 939 CB GLN A 123 -17.721 -13.771 14.852 1.00 16.61 C ATOM 940 CG GLN A 123 -19.027 -13.388 14.137 1.00 18.66 C ATOM 941 CD GLN A 123 -19.565 -11.963 14.363 1.00 22.04 C ATOM 942 OE1 GLN A 123 -19.555 -11.414 15.477 1.00 27.31 O ATOM 943 NE2 GLN A 123 -20.061 -11.352 13.270 1.00 24.19 N ATOM 944 HE22 GLN A 123 -20.054 -11.841 12.352 1.00 0.00 H ATOM 945 HE21 GLN A 123 -20.451 -10.391 13.344 1.00 0.00 H ATOM 946 H GLN A 123 -15.342 -14.557 15.539 1.00 0.00 H ATOM 947 N GLU A 124 -15.983 -11.276 15.601 1.00 14.25 N ATOM 948 CA GLU A 124 -16.006 -9.837 15.817 1.00 13.99 C ATOM 949 C GLU A 124 -15.036 -9.120 14.884 1.00 13.08 C ATOM 950 O GLU A 124 -15.360 -8.051 14.364 1.00 13.95 O ATOM 951 CB GLU A 124 -15.622 -9.454 17.235 1.00 14.52 C ATOM 952 CG GLU A 124 -16.609 -9.922 18.297 1.00 15.29 C ATOM 953 CD GLU A 124 -16.221 -9.506 19.688 1.00 15.49 C ATOM 954 OE1 GLU A 124 -15.039 -9.248 19.934 1.00 13.39 O ATOM 955 OE2 GLU A 124 -17.158 -9.462 20.531 1.00 17.79 O ATOM 956 H GLU A 124 -15.674 -11.916 16.360 1.00 0.00 H ATOM 957 N CYS A 125 -13.869 -9.716 14.637 1.00 11.66 N ATOM 958 CA CYS A 125 -12.900 -9.104 13.715 1.00 12.30 C ATOM 959 C CYS A 125 -13.358 -9.176 12.250 1.00 12.26 C ATOM 960 O CYS A 125 -13.300 -8.199 11.508 1.00 12.95 O ATOM 961 CB CYS A 125 -11.560 -9.799 13.878 1.00 13.02 C ATOM 962 SG CYS A 125 -10.279 -9.272 12.705 1.00 14.55 S ATOM 963 H CYS A 125 -13.642 -10.620 15.099 1.00 0.00 H ATOM 964 N ILE A 126 -13.876 -10.322 11.848 1.00 12.50 N ATOM 965 CA ILE A 126 -14.409 -10.484 10.497 1.00 12.70 C ATOM 966 C ILE A 126 -15.544 -9.522 10.247 1.00 13.54 C ATOM 967 O ILE A 126 -15.639 -8.945 9.150 1.00 13.50 O ATOM 968 CB ILE A 126 -14.889 -11.956 10.304 1.00 13.57 C ATOM 969 CG1 ILE A 126 -13.643 -12.830 10.199 1.00 13.97 C ATOM 970 CG2 ILE A 126 -15.723 -12.156 9.061 1.00 14.87 C ATOM 971 CD1 ILE A 126 -13.888 -14.322 10.331 1.00 14.62 C ATOM 972 H ILE A 126 -13.905 -11.126 12.507 1.00 0.00 H ATOM 973 N GLN A 127 -16.402 -9.301 11.227 1.00 12.60 N ATOM 974 CA GLN A 127 -17.486 -8.346 11.051 1.00 13.79 C ATOM 975 C GLN A 127 -16.920 -6.939 10.799 1.00 13.51 C ATOM 976 O GLN A 127 -17.513 -6.133 10.053 1.00 14.40 O ATOM 977 CB GLN A 127 -18.411 -8.317 12.282 1.00 16.98 C ATOM 978 CG GLN A 127 -19.607 -7.349 12.097 1.00 23.61 C ATOM 979 CD GLN A 127 -20.821 -7.573 13.022 1.00 33.40 C ATOM 980 OE1 GLN A 127 -21.842 -6.845 12.931 1.00 44.16 O ATOM 981 NE2 GLN A 127 -20.736 -8.552 13.908 1.00 36.67 N ATOM 982 HE22 GLN A 127 -19.877 -9.136 13.957 1.00 0.00 H ATOM 983 HE21 GLN A 127 -21.528 -8.738 14.555 1.00 0.00 H ATOM 984 H GLN A 127 -16.302 -9.811 12.128 1.00 0.00 H ATOM 985 N ASP A 128 -15.798 -6.592 11.446 1.00 12.49 N ATOM 986 CA ASP A 128 -15.185 -5.321 11.168 1.00 12.99 C ATOM 987 C ASP A 128 -14.754 -5.219 9.714 1.00 12.58 C ATOM 988 O ASP A 128 -14.955 -4.197 9.056 1.00 11.76 O ATOM 989 CB ASP A 128 -14.013 -4.998 12.124 1.00 12.91 C ATOM 990 CG ASP A 128 -14.462 -4.546 13.506 1.00 14.41 C ATOM 991 OD1 ASP A 128 -15.661 -4.157 13.706 1.00 14.77 O ATOM 992 OD2 ASP A 128 -13.560 -4.580 14.385 1.00 14.43 O ATOM 993 H ASP A 128 -15.374 -7.237 12.143 1.00 0.00 H ATOM 994 N PHE A 129 -14.139 -6.258 9.177 1.00 12.24 N ATOM 995 CA PHE A 129 -13.756 -6.229 7.749 1.00 12.24 C ATOM 996 C PHE A 129 -15.003 -6.117 6.886 1.00 12.48 C ATOM 997 O PHE A 129 -15.029 -5.306 5.952 1.00 12.24 O ATOM 998 CB PHE A 129 -13.017 -7.542 7.396 1.00 12.52 C ATOM 999 CG PHE A 129 -11.554 -7.524 7.707 1.00 12.87 C ATOM 1000 CD1 PHE A 129 -10.618 -6.914 6.863 1.00 13.67 C ATOM 1001 CD2 PHE A 129 -11.058 -8.200 8.809 1.00 14.03 C ATOM 1002 CE1 PHE A 129 -9.236 -6.927 7.137 1.00 15.42 C ATOM 1003 CE2 PHE A 129 -9.708 -8.230 9.079 1.00 14.40 C ATOM 1004 CZ PHE A 129 -8.771 -7.629 8.231 1.00 15.02 C ATOM 1005 H PHE A 129 -13.925 -7.094 9.757 1.00 0.00 H ATOM 1006 N ASN A 130 -16.063 -6.868 7.205 1.00 12.44 N ATOM 1007 CA ASN A 130 -17.267 -6.836 6.402 1.00 13.39 C ATOM 1008 C ASN A 130 -17.874 -5.422 6.422 1.00 13.15 C ATOM 1009 O ASN A 130 -18.358 -4.945 5.391 1.00 14.52 O ATOM 1010 CB ASN A 130 -18.321 -7.790 6.916 1.00 15.71 C ATOM 1011 CG ASN A 130 -17.939 -9.217 6.820 1.00 18.28 C ATOM 1012 OD1 ASN A 130 -17.108 -9.574 6.034 1.00 19.71 O ATOM 1013 ND2 ASN A 130 -18.599 -10.046 7.611 1.00 21.39 N ATOM 1014 HD22 ASN A 130 -19.310 -9.677 8.274 1.00 0.00 H ATOM 1015 HD21 ASN A 130 -18.407 -11.067 7.570 1.00 0.00 H ATOM 1016 H ASN A 130 -16.022 -7.484 8.042 1.00 0.00 H ATOM 1017 N THR A 131 -17.864 -4.760 7.581 1.00 12.23 N ATOM 1018 CA THR A 131 -18.342 -3.374 7.676 1.00 13.08 C ATOM 1019 C THR A 131 -17.530 -2.440 6.781 1.00 11.86 C ATOM 1020 O THR A 131 -18.118 -1.626 6.066 1.00 12.97 O ATOM 1021 CB THR A 131 -18.274 -2.930 9.133 1.00 13.73 C ATOM 1022 OG1 THR A 131 -19.084 -3.768 9.970 1.00 14.11 O ATOM 1023 CG2 THR A 131 -18.711 -1.504 9.351 1.00 14.12 C ATOM 1024 HG1 THR A 131 -18.763 -4.702 9.909 1.00 0.00 H ATOM 1025 H THR A 131 -17.510 -5.236 8.435 1.00 0.00 H ATOM 1026 N MET A 132 -16.205 -2.570 6.834 1.00 11.23 N ATOM 1027 CA MET A 132 -15.370 -1.771 5.981 1.00 11.99 C ATOM 1028 C MET A 132 -15.729 -1.923 4.534 1.00 12.41 C ATOM 1029 O MET A 132 -15.920 -0.939 3.806 1.00 13.12 O ATOM 1030 CB MET A 132 -13.882 -2.149 6.217 1.00 12.78 C ATOM 1031 CG MET A 132 -12.921 -1.356 5.346 1.00 13.42 C ATOM 1032 SD MET A 132 -11.237 -1.901 5.625 1.00 14.32 S ATOM 1033 CE MET A 132 -11.239 -3.377 4.631 1.00 17.98 C ATOM 1034 H MET A 132 -15.775 -3.250 7.493 1.00 0.00 H ATOM 1035 N PHE A 133 -15.845 -3.152 4.047 1.00 12.82 N ATOM 1036 CA PHE A 133 -16.153 -3.357 2.626 1.00 12.87 C ATOM 1037 C PHE A 133 -17.560 -2.843 2.280 1.00 12.87 C ATOM 1038 O PHE A 133 -17.723 -2.176 1.256 1.00 13.70 O ATOM 1039 CB PHE A 133 -16.049 -4.848 2.288 1.00 13.59 C ATOM 1040 CG PHE A 133 -14.633 -5.370 2.289 1.00 14.48 C ATOM 1041 CD1 PHE A 133 -13.654 -4.752 1.546 1.00 17.09 C ATOM 1042 CD2 PHE A 133 -14.245 -6.440 3.096 1.00 16.47 C ATOM 1043 CE1 PHE A 133 -12.319 -5.188 1.576 1.00 18.12 C ATOM 1044 CE2 PHE A 133 -12.922 -6.916 3.092 1.00 15.92 C ATOM 1045 CZ PHE A 133 -11.950 -6.297 2.311 1.00 17.67 C ATOM 1046 H PHE A 133 -15.717 -3.972 4.674 1.00 0.00 H ATOM 1047 N THR A 134 -18.540 -3.174 3.107 1.00 13.48 N ATOM 1048 CA THR A 134 -19.910 -2.736 2.907 1.00 15.19 C ATOM 1049 C THR A 134 -19.980 -1.229 2.862 1.00 13.95 C ATOM 1050 O THR A 134 -20.657 -0.656 1.966 1.00 15.02 O ATOM 1051 CB THR A 134 -20.851 -3.294 3.977 1.00 17.94 C ATOM 1052 OG1 THR A 134 -20.957 -4.703 3.743 1.00 20.75 O ATOM 1053 CG2 THR A 134 -22.262 -2.595 3.989 1.00 19.12 C ATOM 1054 HG1 THR A 134 -20.060 -5.116 3.813 1.00 0.00 H ATOM 1055 H THR A 134 -18.320 -3.770 3.931 1.00 0.00 H ATOM 1056 N ASN A 135 -19.284 -0.511 3.747 1.00 13.28 N ATOM 1057 CA ASN A 135 -19.285 0.937 3.673 1.00 13.49 C ATOM 1058 C ASN A 135 -18.866 1.429 2.294 1.00 13.50 C ATOM 1059 O ASN A 135 -19.405 2.406 1.741 1.00 14.13 O ATOM 1060 CB ASN A 135 -18.360 1.541 4.729 1.00 12.89 C ATOM 1061 CG ASN A 135 -18.854 1.370 6.145 1.00 12.84 C ATOM 1062 OD1 ASN A 135 -20.038 1.075 6.383 1.00 15.04 O ATOM 1063 ND2 ASN A 135 -17.889 1.526 7.107 1.00 13.83 N ATOM 1064 HD22 ASN A 135 -16.917 1.774 6.833 1.00 0.00 H ATOM 1065 HD21 ASN A 135 -18.129 1.396 8.110 1.00 0.00 H ATOM 1066 H ASN A 135 -18.740 -0.992 4.491 1.00 0.00 H ATOM 1067 N CYS A 136 -17.833 0.789 1.737 1.00 12.95 N ATOM 1068 CA CYS A 136 -17.280 1.217 0.463 1.00 13.57 C ATOM 1069 C CYS A 136 -18.329 1.018 -0.660 1.00 13.68 C ATOM 1070 O CYS A 136 -18.553 1.860 -1.490 1.00 14.60 O ATOM 1071 CB CYS A 136 -15.985 0.424 0.229 1.00 14.67 C ATOM 1072 SG CYS A 136 -15.203 0.947 -1.287 1.00 16.77 S ATOM 1073 H CYS A 136 -17.417 -0.030 2.224 1.00 0.00 H ATOM 1074 N TYR A 137 -19.021 -0.103 -0.593 1.00 14.23 N ATOM 1075 CA TYR A 137 -20.012 -0.376 -1.634 1.00 14.62 C ATOM 1076 C TYR A 137 -21.215 0.501 -1.464 1.00 17.38 C ATOM 1077 O TYR A 137 -21.815 0.884 -2.502 1.00 17.99 O ATOM 1078 CB TYR A 137 -20.400 -1.846 -1.673 1.00 14.37 C ATOM 1079 CG TYR A 137 -19.204 -2.787 -1.817 1.00 14.91 C ATOM 1080 CD1 TYR A 137 -18.157 -2.482 -2.662 1.00 17.11 C ATOM 1081 CD2 TYR A 137 -19.101 -3.936 -1.055 1.00 14.53 C ATOM 1082 CE1 TYR A 137 -17.063 -3.320 -2.756 1.00 17.43 C ATOM 1083 CE2 TYR A 137 -18.031 -4.787 -1.122 1.00 16.05 C ATOM 1084 CZ TYR A 137 -16.987 -4.463 -1.999 1.00 17.66 C ATOM 1085 OH TYR A 137 -15.876 -5.268 -2.081 1.00 20.73 O ATOM 1086 HH TYR A 137 -16.149 -6.177 -2.362 1.00 0.00 H ATOM 1087 H TYR A 137 -18.866 -0.778 0.183 1.00 0.00 H ATOM 1088 N ILE A 138 -21.577 0.880 -0.230 1.00 15.42 N ATOM 1089 CA ILE A 138 -22.676 1.854 -0.047 1.00 16.33 C ATOM 1090 C ILE A 138 -22.325 3.222 -0.595 1.00 17.41 C ATOM 1091 O ILE A 138 -23.129 3.912 -1.232 1.00 17.56 O ATOM 1092 CB ILE A 138 -23.033 1.963 1.441 1.00 19.06 C ATOM 1093 CG1 ILE A 138 -23.702 0.699 1.935 1.00 19.39 C ATOM 1094 CG2 ILE A 138 -24.018 3.114 1.706 1.00 19.29 C ATOM 1095 CD1 ILE A 138 -23.895 0.628 3.453 1.00 22.25 C ATOM 1096 H ILE A 138 -21.085 0.489 0.599 1.00 0.00 H ATOM 1097 N TYR A 139 -21.164 3.740 -0.203 1.00 15.26 N ATOM 1098 CA TYR A 139 -20.801 5.100 -0.432 1.00 15.19 C ATOM 1099 C TYR A 139 -20.512 5.415 -1.902 1.00 15.20 C ATOM 1100 O TYR A 139 -20.772 6.571 -2.381 1.00 17.15 O ATOM 1101 CB TYR A 139 -19.633 5.550 0.480 1.00 14.63 C ATOM 1102 CG TYR A 139 -19.245 6.979 0.277 1.00 14.33 C ATOM 1103 CD1 TYR A 139 -20.063 8.020 0.732 1.00 14.13 C ATOM 1104 CD2 TYR A 139 -18.101 7.328 -0.422 1.00 14.84 C ATOM 1105 CE1 TYR A 139 -19.749 9.330 0.479 1.00 15.29 C ATOM 1106 CE2 TYR A 139 -17.742 8.643 -0.645 1.00 15.97 C ATOM 1107 CZ TYR A 139 -18.620 9.659 -0.193 1.00 14.78 C ATOM 1108 OH TYR A 139 -18.280 10.978 -0.492 1.00 17.55 O ATOM 1109 HH TYR A 139 -18.969 11.587 -0.124 1.00 0.00 H ATOM 1110 H TYR A 139 -20.489 3.124 0.294 1.00 0.00 H ATOM 1111 N ASN A 140 -19.941 4.468 -2.648 1.00 15.65 N ATOM 1112 CA ASN A 140 -19.375 4.776 -3.966 1.00 16.55 C ATOM 1113 C ASN A 140 -20.253 4.074 -4.991 1.00 21.78 C ATOM 1114 O ASN A 140 -21.239 3.431 -4.645 1.00 23.95 O ATOM 1115 CB ASN A 140 -17.899 4.268 -4.025 1.00 16.33 C ATOM 1116 CG ASN A 140 -17.047 4.850 -2.908 1.00 15.14 C ATOM 1117 OD1 ASN A 140 -16.492 5.964 -3.007 1.00 15.39 O ATOM 1118 ND2 ASN A 140 -16.875 4.047 -1.852 1.00 14.27 N ATOM 1119 HD22 ASN A 140 -17.359 3.127 -1.814 1.00 0.00 H ATOM 1120 HD21 ASN A 140 -16.258 4.343 -1.069 1.00 0.00 H ATOM 1121 H ASN A 140 -19.896 3.493 -2.289 1.00 0.00 H ATOM 1122 N LYS A 141 -19.902 4.195 -6.257 1.00 26.52 N ATOM 1123 CA LYS A 141 -20.695 3.576 -7.347 1.00 31.37 C ATOM 1124 C LYS A 141 -19.940 2.404 -7.945 1.00 29.35 C ATOM 1125 O LYS A 141 -18.722 2.465 -8.011 1.00 24.12 O ATOM 1126 CB LYS A 141 -20.956 4.617 -8.423 1.00 36.55 C ATOM 1127 CG LYS A 141 -21.782 5.794 -7.926 1.00 41.36 C ATOM 1128 CD LYS A 141 -20.924 7.027 -7.670 1.00 44.91 C ATOM 1129 CE LYS A 141 -21.576 8.004 -6.695 1.00 47.78 C ATOM 1130 NZ LYS A 141 -20.673 9.163 -6.425 1.00 51.34 N ATOM 1131 HZ1 LYS A 141 -19.783 8.819 -6.012 1.00 0.00 H ATOM 1132 HZ2 LYS A 141 -20.473 9.660 -7.316 1.00 0.00 H ATOM 1133 HZ3 LYS A 141 -21.136 9.814 -5.760 1.00 0.00 H ATOM 1134 H LYS A 141 -19.048 4.738 -6.497 1.00 0.00 H ATOM 1135 N PRO A 142 -20.652 1.341 -8.412 1.00 28.47 N ATOM 1136 CA PRO A 142 -19.908 0.264 -9.087 1.00 29.60 C ATOM 1137 C PRO A 142 -19.039 0.793 -10.229 1.00 30.12 C ATOM 1138 O PRO A 142 -19.419 1.743 -10.899 1.00 31.29 O ATOM 1139 CB PRO A 142 -21.014 -0.669 -9.621 1.00 32.00 C ATOM 1140 CG PRO A 142 -22.219 -0.366 -8.789 1.00 29.49 C ATOM 1141 CD PRO A 142 -22.100 1.052 -8.309 1.00 29.95 C ATOM 1142 N GLY A 143 -17.864 0.217 -10.397 1.00 27.77 N ATOM 1143 CA GLY A 143 -16.879 0.717 -11.362 1.00 27.41 C ATOM 1144 C GLY A 143 -15.967 1.851 -10.941 1.00 26.10 C ATOM 1145 O GLY A 143 -14.947 2.091 -11.605 1.00 26.95 O ATOM 1146 H GLY A 143 -17.628 -0.620 -9.826 1.00 0.00 H ATOM 1147 N ASP A 144 -16.300 2.575 -9.862 1.00 22.51 N ATOM 1148 CA ASP A 144 -15.377 3.566 -9.324 1.00 20.01 C ATOM 1149 C ASP A 144 -14.045 2.854 -8.983 1.00 17.89 C ATOM 1150 O ASP A 144 -14.068 1.694 -8.556 1.00 18.09 O ATOM 1151 CB ASP A 144 -15.916 4.165 -8.009 1.00 22.96 C ATOM 1152 CG ASP A 144 -16.982 5.210 -8.226 1.00 25.95 C ATOM 1153 OD1 ASP A 144 -17.163 5.623 -9.401 1.00 27.52 O ATOM 1154 OD2 ASP A 144 -17.605 5.664 -7.222 1.00 27.22 O ATOM 1155 H ASP A 144 -17.223 2.428 -9.406 1.00 0.00 H ATOM 1156 N ASP A 145 -12.923 3.566 -9.102 1.00 16.67 N ATOM 1157 CA ASP A 145 -11.631 3.008 -8.736 1.00 16.01 C ATOM 1158 C ASP A 145 -11.637 2.443 -7.298 1.00 14.33 C ATOM 1159 O ASP A 145 -11.074 1.361 -7.035 1.00 14.80 O ATOM 1160 CB ASP A 145 -10.532 4.069 -8.823 1.00 17.40 C ATOM 1161 CG ASP A 145 -9.961 4.225 -10.195 1.00 19.61 C ATOM 1162 OD1 ASP A 145 -10.146 3.345 -11.037 1.00 22.08 O ATOM 1163 OD2 ASP A 145 -9.264 5.264 -10.405 1.00 21.63 O ATOM 1164 H ASP A 145 -12.973 4.540 -9.464 1.00 0.00 H ATOM 1165 N ILE A 146 -12.240 3.159 -6.361 1.00 14.05 N ATOM 1166 CA ILE A 146 -12.213 2.688 -4.986 1.00 12.83 C ATOM 1167 C ILE A 146 -13.010 1.385 -4.817 1.00 13.83 C ATOM 1168 O ILE A 146 -12.662 0.554 -3.989 1.00 13.12 O ATOM 1169 CB ILE A 146 -12.711 3.801 -4.067 1.00 12.33 C ATOM 1170 CG1 ILE A 146 -12.326 3.539 -2.621 1.00 13.07 C ATOM 1171 CG2 ILE A 146 -14.205 4.004 -4.236 1.00 12.31 C ATOM 1172 CD1 ILE A 146 -10.866 3.756 -2.303 1.00 13.60 C ATOM 1173 H ILE A 146 -12.726 4.045 -6.605 1.00 0.00 H ATOM 1174 N VAL A 147 -14.070 1.201 -5.598 1.00 14.06 N ATOM 1175 CA VAL A 147 -14.832 -0.010 -5.579 1.00 15.06 C ATOM 1176 C VAL A 147 -14.027 -1.165 -6.202 1.00 15.29 C ATOM 1177 O VAL A 147 -14.038 -2.273 -5.641 1.00 15.76 O ATOM 1178 CB VAL A 147 -16.221 0.186 -6.247 1.00 15.72 C ATOM 1179 CG1 VAL A 147 -16.962 -1.144 -6.306 1.00 16.93 C ATOM 1180 CG2 VAL A 147 -17.030 1.179 -5.411 1.00 17.15 C ATOM 1181 H VAL A 147 -14.355 1.964 -6.245 1.00 0.00 H ATOM 1182 N LEU A 148 -13.299 -0.900 -7.285 1.00 15.12 N ATOM 1183 CA LEU A 148 -12.401 -1.917 -7.851 1.00 16.97 C ATOM 1184 C LEU A 148 -11.385 -2.365 -6.830 1.00 15.54 C ATOM 1185 O LEU A 148 -11.114 -3.566 -6.687 1.00 15.29 O ATOM 1186 CB LEU A 148 -11.692 -1.414 -9.125 1.00 18.21 C ATOM 1187 CG LEU A 148 -12.589 -1.032 -10.318 1.00 21.67 C ATOM 1188 CD1 LEU A 148 -11.714 -0.431 -11.416 1.00 22.79 C ATOM 1189 CD2 LEU A 148 -13.458 -2.187 -10.812 1.00 24.69 C ATOM 1190 H LEU A 148 -13.366 0.035 -7.735 1.00 0.00 H ATOM 1191 N MET A 149 -10.860 -1.424 -6.047 1.00 14.13 N ATOM 1192 CA MET A 149 -9.929 -1.746 -4.992 1.00 14.65 C ATOM 1193 C MET A 149 -10.540 -2.617 -3.916 1.00 15.68 C ATOM 1194 O MET A 149 -9.960 -3.612 -3.491 1.00 15.15 O ATOM 1195 CB MET A 149 -9.363 -0.465 -4.400 1.00 14.46 C ATOM 1196 CG MET A 149 -8.541 0.306 -5.403 1.00 13.75 C ATOM 1197 SD MET A 149 -8.215 2.031 -4.912 1.00 16.04 S ATOM 1198 CE MET A 149 -6.633 1.821 -4.149 1.00 15.19 C ATOM 1199 H MET A 149 -11.128 -0.431 -6.200 1.00 0.00 H ATOM 1200 N ALA A 150 -11.719 -2.195 -3.455 1.00 14.24 N ATOM 1201 CA ALA A 150 -12.378 -2.968 -2.387 1.00 14.48 C ATOM 1202 C ALA A 150 -12.699 -4.354 -2.873 1.00 15.40 C ATOM 1203 O ALA A 150 -12.491 -5.303 -2.107 1.00 16.16 O ATOM 1204 CB ALA A 150 -13.659 -2.254 -1.929 1.00 15.58 C ATOM 1205 H ALA A 150 -12.164 -1.338 -3.841 1.00 0.00 H ATOM 1206 N GLU A 151 -13.145 -4.490 -4.113 1.00 15.44 N ATOM 1207 CA GLU A 151 -13.498 -5.809 -4.687 1.00 16.84 C ATOM 1208 C GLU A 151 -12.273 -6.702 -4.679 1.00 17.52 C ATOM 1209 O GLU A 151 -12.364 -7.876 -4.284 1.00 17.23 O ATOM 1210 CB GLU A 151 -14.098 -5.764 -6.109 1.00 18.70 C ATOM 1211 CG GLU A 151 -15.459 -5.093 -6.215 1.00 22.15 C ATOM 1212 CD GLU A 151 -16.018 -5.045 -7.632 1.00 25.29 C ATOM 1213 OE1 GLU A 151 -15.435 -5.611 -8.573 1.00 33.47 O ATOM 1214 OE2 GLU A 151 -17.117 -4.477 -7.796 1.00 31.60 O ATOM 1215 H GLU A 151 -13.251 -3.641 -4.704 1.00 0.00 H ATOM 1216 N ALA A 152 -11.110 -6.181 -5.043 1.00 16.06 N ATOM 1217 CA ALA A 152 -9.912 -7.018 -5.074 1.00 16.18 C ATOM 1218 C ALA A 152 -9.519 -7.388 -3.693 1.00 15.41 C ATOM 1219 O ALA A 152 -9.128 -8.512 -3.456 1.00 16.86 O ATOM 1220 CB ALA A 152 -8.753 -6.313 -5.800 1.00 16.88 C ATOM 1221 H ALA A 152 -11.050 -5.177 -5.307 1.00 0.00 H ATOM 1222 N LEU A 153 -9.569 -6.444 -2.752 1.00 15.01 N ATOM 1223 CA LEU A 153 -9.176 -6.757 -1.388 1.00 14.51 C ATOM 1224 C LEU A 153 -10.149 -7.753 -0.757 1.00 15.98 C ATOM 1225 O LEU A 153 -9.689 -8.636 -0.008 1.00 15.36 O ATOM 1226 CB LEU A 153 -9.103 -5.490 -0.523 1.00 14.11 C ATOM 1227 CG LEU A 153 -7.996 -4.490 -0.872 1.00 14.90 C ATOM 1228 CD1 LEU A 153 -8.258 -3.231 -0.060 1.00 16.76 C ATOM 1229 CD2 LEU A 153 -6.625 -5.035 -0.556 1.00 16.35 C ATOM 1230 H LEU A 153 -9.889 -5.485 -2.994 1.00 0.00 H ATOM 1231 N GLU A 154 -11.431 -7.614 -1.100 1.00 16.04 N ATOM 1232 CA GLU A 154 -12.452 -8.520 -0.563 1.00 17.09 C ATOM 1233 C GLU A 154 -12.228 -9.907 -1.100 1.00 17.73 C ATOM 1234 O GLU A 154 -12.367 -10.862 -0.359 1.00 16.54 O ATOM 1235 CB GLU A 154 -13.856 -8.040 -0.875 1.00 18.05 C ATOM 1236 CG GLU A 154 -14.874 -8.857 -0.098 1.00 21.54 C ATOM 1237 CD GLU A 154 -16.281 -8.448 -0.406 1.00 25.76 C ATOM 1238 OE1 GLU A 154 -16.571 -7.734 -1.367 1.00 29.36 O ATOM 1239 OE2 GLU A 154 -17.150 -8.946 0.338 1.00 33.17 O ATOM 1240 H GLU A 154 -11.709 -6.855 -1.755 1.00 0.00 H ATOM 1241 N LYS A 155 -11.932 -10.050 -2.387 1.00 16.98 N ATOM 1242 CA LYS A 155 -11.617 -11.339 -2.957 1.00 18.73 C ATOM 1243 C LYS A 155 -10.473 -11.995 -2.227 1.00 18.36 C ATOM 1244 O LYS A 155 -10.566 -13.196 -1.890 1.00 18.39 O ATOM 1245 CB LYS A 155 -11.268 -11.165 -4.429 1.00 19.76 C ATOM 1246 CG LYS A 155 -10.810 -12.469 -5.098 1.00 23.66 C ATOM 1247 CD LYS A 155 -10.324 -12.180 -6.508 1.00 28.81 C ATOM 1248 CE LYS A 155 -9.600 -13.334 -7.142 1.00 33.34 C ATOM 1249 NZ LYS A 155 -9.006 -12.913 -8.432 1.00 37.58 N ATOM 1250 HZ1 LYS A 155 -9.760 -12.590 -9.071 1.00 0.00 H ATOM 1251 HZ2 LYS A 155 -8.334 -12.137 -8.266 1.00 0.00 H ATOM 1252 HZ3 LYS A 155 -8.508 -13.718 -8.862 1.00 0.00 H ATOM 1253 H LYS A 155 -11.927 -9.211 -3.001 1.00 0.00 H ATOM 1254 N LEU A 156 -9.391 -11.289 -1.953 1.00 17.88 N ATOM 1255 CA LEU A 156 -8.274 -11.815 -1.205 1.00 17.10 C ATOM 1256 C LEU A 156 -8.665 -12.194 0.242 1.00 20.71 C ATOM 1257 O LEU A 156 -8.247 -13.211 0.743 1.00 20.30 O ATOM 1258 CB LEU A 156 -7.108 -10.827 -1.172 1.00 20.86 C ATOM 1259 CG LEU A 156 -6.300 -10.657 -2.399 1.00 25.83 C ATOM 1260 CD1 LEU A 156 -5.079 -9.838 -1.953 1.00 28.20 C ATOM 1261 CD2 LEU A 156 -5.892 -11.992 -2.963 1.00 28.70 C ATOM 1262 H LEU A 156 -9.341 -10.307 -2.292 1.00 0.00 H ATOM 1263 N PHE A 157 -9.366 -11.248 0.891 1.00 16.09 N ATOM 1264 CA PHE A 157 -9.955 -11.531 2.199 1.00 16.91 C ATOM 1265 C PHE A 157 -10.699 -12.864 2.193 1.00 16.36 C ATOM 1266 O PHE A 157 -10.426 -13.699 3.089 1.00 18.30 O ATOM 1267 CB PHE A 157 -10.898 -10.362 2.574 1.00 16.53 C ATOM 1268 CG PHE A 157 -11.559 -10.535 3.920 1.00 15.56 C ATOM 1269 CD1 PHE A 157 -10.813 -10.474 5.090 1.00 15.82 C ATOM 1270 CD2 PHE A 157 -12.906 -10.773 3.959 1.00 17.01 C ATOM 1271 CE1 PHE A 157 -11.442 -10.653 6.331 1.00 16.78 C ATOM 1272 CE2 PHE A 157 -13.544 -10.926 5.194 1.00 16.56 C ATOM 1273 CZ PHE A 157 -12.793 -10.876 6.328 1.00 15.14 C ATOM 1274 H PHE A 157 -9.490 -10.310 0.460 1.00 0.00 H ATOM 1275 N LEU A 158 -11.649 -13.039 1.295 1.00 17.78 N ATOM 1276 CA LEU A 158 -12.463 -14.278 1.296 1.00 17.51 C ATOM 1277 C LEU A 158 -11.607 -15.517 1.044 1.00 22.06 C ATOM 1278 O LEU A 158 -11.838 -16.562 1.663 1.00 22.07 O ATOM 1279 CB LEU A 158 -13.650 -14.205 0.373 1.00 19.89 C ATOM 1280 CG LEU A 158 -14.705 -13.152 0.761 1.00 20.54 C ATOM 1281 CD1 LEU A 158 -15.666 -12.956 -0.386 1.00 22.71 C ATOM 1282 CD2 LEU A 158 -15.413 -13.464 2.090 1.00 21.38 C ATOM 1283 H LEU A 158 -11.828 -12.303 0.582 1.00 0.00 H ATOM 1284 N GLN A 159 -10.606 -15.436 0.176 1.00 21.27 N ATOM 1285 CA GLN A 159 -9.689 -16.571 -0.008 1.00 21.78 C ATOM 1286 C GLN A 159 -8.902 -16.926 1.253 1.00 22.44 C ATOM 1287 O GLN A 159 -8.788 -18.117 1.642 1.00 23.13 O ATOM 1288 CB GLN A 159 -8.675 -16.237 -1.093 1.00 25.23 C ATOM 1289 CG GLN A 159 -9.232 -16.196 -2.474 1.00 32.30 C ATOM 1290 CD GLN A 159 -8.153 -15.790 -3.475 1.00 37.61 C ATOM 1291 OE1 GLN A 159 -6.944 -15.757 -3.156 1.00 42.64 O ATOM 1292 NE2 GLN A 159 -8.574 -15.480 -4.677 1.00 40.26 N ATOM 1293 HE22 GLN A 159 -9.589 -15.521 -4.899 1.00 0.00 H ATOM 1294 HE21 GLN A 159 -7.893 -15.193 -5.409 1.00 0.00 H ATOM 1295 H GLN A 159 -10.470 -14.566 -0.377 1.00 0.00 H ATOM 1296 N LYS A 160 -8.373 -15.935 1.946 1.00 21.34 N ATOM 1297 CA LYS A 160 -7.695 -16.163 3.183 1.00 20.87 C ATOM 1298 C LYS A 160 -8.658 -16.653 4.293 1.00 20.93 C ATOM 1299 O LYS A 160 -8.249 -17.523 5.085 1.00 21.30 O ATOM 1300 CB LYS A 160 -6.949 -14.936 3.626 1.00 23.79 C ATOM 1301 CG LYS A 160 -5.856 -14.483 2.646 1.00 23.77 C ATOM 1302 CD LYS A 160 -4.771 -15.543 2.511 1.00 26.08 C ATOM 1303 CE LYS A 160 -4.019 -15.404 1.214 1.00 31.23 C ATOM 1304 NZ LYS A 160 -2.848 -16.332 1.349 1.00 31.25 N ATOM 1305 HZ1 LYS A 160 -2.270 -16.042 2.163 1.00 0.00 H ATOM 1306 HZ2 LYS A 160 -3.192 -17.303 1.494 1.00 0.00 H ATOM 1307 HZ3 LYS A 160 -2.274 -16.292 0.483 1.00 0.00 H ATOM 1308 H LYS A 160 -8.452 -14.964 1.583 1.00 0.00 H ATOM 1309 N ILE A 161 -9.905 -16.153 4.331 1.00 19.00 N ATOM 1310 CA ILE A 161 -10.918 -16.606 5.323 1.00 21.25 C ATOM 1311 C ILE A 161 -11.187 -18.091 5.141 1.00 20.09 C ATOM 1312 O ILE A 161 -11.355 -18.818 6.141 1.00 19.70 O ATOM 1313 CB ILE A 161 -12.234 -15.768 5.237 1.00 22.64 C ATOM 1314 CG1 ILE A 161 -12.020 -14.384 5.832 1.00 26.09 C ATOM 1315 CG2 ILE A 161 -13.399 -16.500 5.908 1.00 26.33 C ATOM 1316 CD1 ILE A 161 -11.660 -14.344 7.289 1.00 27.19 C ATOM 1317 H ILE A 161 -10.172 -15.422 3.641 1.00 0.00 H ATOM 1318 N ASN A 162 -11.205 -18.582 3.901 1.00 20.49 N ATOM 1319 CA ASN A 162 -11.423 -19.984 3.648 1.00 21.57 C ATOM 1320 C ASN A 162 -10.303 -20.876 4.178 1.00 22.21 C ATOM 1321 O ASN A 162 -10.513 -22.069 4.269 1.00 23.48 O ATOM 1322 CB ASN A 162 -11.743 -20.317 2.162 1.00 22.97 C ATOM 1323 CG ASN A 162 -13.247 -20.131 1.833 1.00 25.82 C ATOM 1324 OD1 ASN A 162 -14.130 -20.297 2.701 1.00 27.17 O ATOM 1325 ND2 ASN A 162 -13.549 -19.781 0.576 1.00 25.03 N ATOM 1326 HD22 ASN A 162 -12.791 -19.650 -0.124 1.00 0.00 H ATOM 1327 HD21 ASN A 162 -14.542 -19.640 0.300 1.00 0.00 H ATOM 1328 H ASN A 162 -11.058 -17.938 3.098 1.00 0.00 H ATOM 1329 N GLU A 163 -9.158 -20.333 4.569 1.00 20.47 N ATOM 1330 CA GLU A 163 -8.106 -21.179 5.143 1.00 22.62 C ATOM 1331 C GLU A 163 -7.941 -20.898 6.643 1.00 23.43 C ATOM 1332 O GLU A 163 -6.944 -21.237 7.247 1.00 23.49 O ATOM 1333 CB GLU A 163 -6.816 -21.047 4.322 1.00 28.27 C ATOM 1334 CG GLU A 163 -6.932 -21.526 2.856 1.00 33.06 C ATOM 1335 CD GLU A 163 -7.589 -22.888 2.623 1.00 41.40 C ATOM 1336 OE1 GLU A 163 -7.362 -23.841 3.410 1.00 44.98 O ATOM 1337 OE2 GLU A 163 -8.326 -23.006 1.609 1.00 51.31 O ATOM 1338 H GLU A 163 -9.006 -19.309 4.469 1.00 0.00 H ATOM 1339 N LEU A 164 -8.966 -20.297 7.251 1.00 20.71 N ATOM 1340 CA LEU A 164 -8.962 -20.075 8.681 1.00 22.55 C ATOM 1341 C LEU A 164 -8.783 -21.429 9.403 1.00 21.43 C ATOM 1342 O LEU A 164 -9.340 -22.429 8.983 1.00 24.75 O ATOM 1343 CB LEU A 164 -10.287 -19.396 9.128 1.00 24.90 C ATOM 1344 CG LEU A 164 -10.298 -18.694 10.482 1.00 27.25 C ATOM 1345 CD1 LEU A 164 -9.604 -17.371 10.418 1.00 26.58 C ATOM 1346 CD2 LEU A 164 -11.704 -18.470 11.026 1.00 27.91 C ATOM 1347 H LEU A 164 -9.782 -19.983 6.687 1.00 0.00 H ATOM 1348 N PRO A 165 -7.986 -21.449 10.460 1.00 22.49 N ATOM 1349 CA PRO A 165 -7.908 -22.735 11.193 1.00 23.39 C ATOM 1350 C PRO A 165 -9.299 -23.144 11.748 1.00 29.81 C ATOM 1351 O PRO A 165 -10.121 -22.289 12.113 1.00 30.48 O ATOM 1352 CB PRO A 165 -6.851 -22.482 12.246 1.00 26.90 C ATOM 1353 CG PRO A 165 -6.434 -21.079 12.152 1.00 26.07 C ATOM 1354 CD PRO A 165 -7.008 -20.473 10.919 1.00 24.22 C ATOM 1355 N THR A 166 -9.586 -24.438 11.690 1.00 34.80 N ATOM 1356 CA THR A 166 -10.875 -24.993 12.150 1.00 42.53 C ATOM 1357 C THR A 166 -10.704 -25.710 13.516 1.00 49.54 C ATOM 1358 O THR A 166 -11.695 -26.115 14.128 1.00 55.95 O ATOM 1359 CB THR A 166 -11.567 -25.904 11.068 1.00 41.49 C ATOM 1360 OG1 THR A 166 -11.174 -27.266 11.234 1.00 43.76 O ATOM 1361 CG2 THR A 166 -11.234 -25.477 9.638 1.00 42.77 C ATOM 1362 HG1 THR A 166 -11.441 -27.578 12.135 1.00 0.00 H ATOM 1363 H THR A 166 -8.873 -25.089 11.304 1.00 0.00 H ATOM 1364 N GLU A 167 -9.458 -25.879 13.979 1.00 53.32 N ATOM 1365 CA GLU A 167 -9.178 -26.051 15.411 1.00 58.41 C ATOM 1366 C GLU A 167 -9.513 -24.738 16.144 1.00 60.64 C ATOM 1367 O GLU A 167 -9.254 -23.646 15.631 1.00 58.95 O ATOM 1368 CB GLU A 167 -7.703 -26.401 15.635 1.00 59.15 C ATOM 1369 CG GLU A 167 -7.346 -26.731 17.081 1.00 62.59 C ATOM 1370 CD GLU A 167 -5.934 -26.307 17.450 1.00 66.33 C ATOM 1371 OE1 GLU A 167 -5.764 -25.568 18.443 1.00 66.95 O ATOM 1372 OE2 GLU A 167 -4.990 -26.700 16.736 1.00 71.81 O ATOM 1373 H GLU A 167 -8.666 -25.889 13.305 1.00 0.00 H TER 1374 GLU A 167 HETATM 1375 O HOH 1 -19.858 -12.498 17.674 1.00 36.60 O HETATM 1376 O HOH 2 -16.190 16.059 15.122 1.00 28.17 O HETATM 1377 O HOH 3 0.185 -1.149 1.501 1.00 31.95 O HETATM 1378 O HOH 4 -17.420 19.928 13.317 1.00 26.33 O HETATM 1379 O HOH 5 -17.443 8.307 -4.373 1.00 36.20 O HETATM 1380 O HOH 6 -9.066 2.819 -13.308 1.00 22.93 O HETATM 1381 O HOH 7 -16.401 -2.550 19.190 1.00 31.49 O HETATM 1382 O HOH 8 -16.042 3.558 2.615 1.00 13.73 O HETATM 1383 O HOH 9 -12.335 7.673 19.584 1.00 32.75 O HETATM 1384 O HOH 10 -14.888 0.240 29.558 1.00 27.78 O HETATM 1385 O HOH 11 -6.036 -26.100 3.472 1.00 27.27 O HETATM 1386 O HOH 12 -7.458 9.205 9.368 1.00 26.40 O HETATM 1387 O HOH 13 -17.624 2.270 13.918 1.00 24.68 O HETATM 1388 O HOH 14 -3.837 -19.000 4.262 1.00 29.74 O HETATM 1389 O HOH 15 -15.584 7.076 13.619 1.00 17.42 O HETATM 1390 O HOH 16 -2.019 14.644 3.581 1.00 30.56 O HETATM 1391 O HOH 17 -16.238 -18.895 3.635 1.00 21.10 O HETATM 1392 O HOH 18 -12.927 2.463 5.446 1.00 13.81 O HETATM 1393 O HOH 19 -2.466 5.138 4.027 1.00 24.18 O HETATM 1394 O HOH 20 -18.076 -3.767 12.539 1.00 32.14 O HETATM 1395 O HOH 21 -15.446 3.376 6.745 1.00 14.80 O HETATM 1396 O HOH 22 -13.452 -18.249 19.306 1.00 29.85 O HETATM 1397 O HOH 23 1.362 0.636 -7.081 1.00 20.78 O HETATM 1398 O HOH 24 -13.032 4.084 10.814 1.00 14.47 O HETATM 1399 O HOH 25 -9.469 3.932 15.304 1.00 16.77 O HETATM 1400 O HOH 26 -19.724 17.648 6.329 1.00 23.43 O HETATM 1401 O HOH 27 -11.038 -5.277 -8.848 1.00 24.46 O HETATM 1402 O HOH 28 -11.429 12.943 -3.046 1.00 26.69 O HETATM 1403 O HOH 29 -9.474 7.018 2.766 1.00 22.56 O HETATM 1404 O HOH 30 -16.577 15.113 7.867 1.00 23.07 O HETATM 1405 O HOH 31 -15.013 17.467 4.001 1.00 31.43 O HETATM 1406 O HOH 32 -14.557 1.463 3.398 1.00 15.48 O HETATM 1407 O HOH 33 -19.466 -6.592 2.318 1.00 33.26 O HETATM 1408 O HOH 34 -1.374 0.410 -0.435 1.00 18.21 O HETATM 1409 O HOH 35 -12.390 9.219 12.547 1.00 18.07 O HETATM 1410 O HOH 36 -15.630 10.542 -4.346 1.00 36.57 O HETATM 1411 O HOH 37 -23.073 14.696 -1.804 1.00 21.19 O HETATM 1412 O HOH 38 -11.274 10.640 10.433 1.00 21.27 O HETATM 1413 O HOH 39 -16.070 -21.900 1.456 1.00 33.04 O HETATM 1414 O HOH 40 -16.748 -8.987 23.271 1.00 17.45 O HETATM 1415 O HOH 41 -15.209 -18.959 14.880 1.00 28.81 O HETATM 1416 O HOH 42 -10.629 3.913 5.325 1.00 14.57 O HETATM 1417 O HOH 43 -14.872 25.020 13.753 1.00 29.48 O HETATM 1418 O HOH 44 -1.007 -8.532 -0.820 1.00 30.07 O HETATM 1419 O HOH 45 -3.010 0.752 12.833 1.00 29.00 O HETATM 1420 O HOH 46 -11.836 -17.152 17.408 1.00 23.26 O HETATM 1421 O HOH 47 -20.320 15.495 8.822 1.00 22.04 O HETATM 1422 O HOH 48 -9.524 3.547 21.847 1.00 25.29 O HETATM 1423 O HOH 49 -19.854 -14.544 17.686 1.00 36.45 O HETATM 1424 O HOH 50 -15.871 2.575 18.894 1.00 29.50 O HETATM 1425 O HOH 51 -18.933 13.851 6.760 1.00 21.73 O HETATM 1426 O HOH 52 -21.146 -0.022 -5.162 1.00 31.27 O HETATM 1427 O HOH 53 -7.779 7.706 0.670 1.00 17.88 O HETATM 1428 O HOH 54 -8.701 8.485 4.905 1.00 19.69 O HETATM 1429 O HOH 55 -7.658 -10.085 -5.428 1.00 28.37 O HETATM 1430 O HOH 56 -11.462 16.625 12.532 1.00 38.06 O HETATM 1431 O HOH 57 -13.783 7.057 11.506 1.00 14.30 O HETATM 1432 O HOH 58 -13.342 4.922 8.252 1.00 16.73 O HETATM 1433 O HOH 59 -8.212 -10.161 19.924 1.00 22.03 O HETATM 1434 O HOH 60 -16.072 -16.494 15.956 1.00 19.63 O HETATM 1435 O HOH 61 -7.753 -3.755 23.349 1.00 31.17 O HETATM 1436 O HOH 62 -7.310 -15.691 26.057 1.00 32.53 O HETATM 1437 O HOH 63 -8.279 -25.122 7.877 1.00 36.81 O HETATM 1438 O HOH 64 -16.761 19.532 -1.388 1.00 40.29 O HETATM 1439 O HOH 65 -3.450 7.016 2.144 1.00 28.34 O HETATM 1440 O HOH 66 -13.845 13.458 -4.641 1.00 31.26 O HETATM 1441 O HOH 67 -5.190 -18.992 1.783 1.00 37.34 O HETATM 1442 O HOH 68 0.654 1.552 -2.425 1.00 29.59 O HETATM 1443 O HOH 69 -6.523 9.933 4.194 1.00 31.61 O HETATM 1444 CAZ EFN A 70 -10.751 11.646 -6.351 1.00 0.06 C HETATM 1445 OAY EFN A 70 -10.183 10.940 -5.231 1.00 -0.32 O HETATM 1446 CAT EFN A 70 -9.900 9.623 -5.434 1.00 0.12 C HETATM 1447 CAU EFN A 70 -10.052 8.940 -6.635 1.00 -0.03 C HETATM 1448 CAV EFN A 70 -9.697 7.593 -6.699 1.00 -0.06 C HETATM 1449 CAW EFN A 70 -9.181 6.962 -5.571 1.00 0.00 C HETATM 1450 BR EFN A 70 -8.682 5.146 -5.644 1.00 -0.06 BR HETATM 1451 CAX EFN A 70 -8.995 7.638 -4.408 1.00 -0.03 C HETATM 1452 CAS EFN A 70 -9.307 9.007 -4.329 1.00 0.14 C HETATM 1453 SAP EFN A 70 -9.052 9.834 -2.819 1.00 0.08 S HETATM 1454 OAQ EFN A 70 -8.442 8.877 -1.908 1.00 -0.15 O HETATM 1455 OAR EFN A 70 -8.283 11.098 -3.056 1.00 -0.15 O HETATM 1456 NAO EFN A 70 -10.591 10.225 -2.321 1.00 -0.20 N HETATM 1457 CAC EFN A 70 -11.475 9.227 -2.053 1.00 0.07 C HETATM 1458 CAD EFN A 70 -11.229 8.187 -1.146 1.00 -0.03 C HETATM 1459 CAE EFN A 70 -12.227 7.290 -0.917 1.00 0.09 C HETATM 1460 OAG EFN A 70 -11.969 6.229 -0.048 1.00 -0.32 O HETATM 1461 CAH EFN A 70 -13.084 5.881 0.805 1.00 0.16 C HETATM 1462 CAL EFN A 70 -13.267 7.007 1.791 1.00 -0.03 C HETATM 1463 H9 EFN A 70 -14.110 6.776 2.459 1.00 0.02 H HETATM 1464 H10 EFN A 70 -13.475 7.940 1.247 1.00 0.02 H HETATM 1465 H11 EFN A 70 -12.350 7.126 2.386 1.00 0.02 H HETATM 1466 CAM EFN A 70 -12.632 4.599 1.503 1.00 -0.03 C HETATM 1467 H12 EFN A 70 -13.425 4.252 2.182 1.00 0.02 H HETATM 1468 H13 EFN A 70 -11.717 4.798 2.079 1.00 0.02 H HETATM 1469 H14 EFN A 70 -12.429 3.823 0.750 1.00 0.02 H HETATM 1470 CAI EFN A 70 -14.290 5.655 -0.007 1.00 0.24 C HETATM 1471 OAK EFN A 70 -15.132 4.804 0.267 1.00 -0.34 O HETATM 1472 NAJ EFN A 70 -14.460 6.364 -1.157 1.00 -0.24 N HETATM 1473 CAF EFN A 70 -13.467 7.328 -1.487 1.00 0.08 C HETATM 1474 CAA EFN A 70 -13.760 8.341 -2.409 1.00 -0.03 C HETATM 1475 CAB EFN A 70 -12.733 9.269 -2.665 1.00 0.08 C HETATM 1476 OAN EFN A 70 -12.948 10.319 -3.568 1.00 -0.35 O HETATM 1477 H17 EFN A 70 -12.163 10.850 -3.627 1.00 0.24 H HETATM 1478 H16 EFN A 70 -14.725 8.407 -2.899 1.00 0.04 H HETATM 1479 H15 EFN A 70 -15.253 6.213 -1.747 1.00 0.22 H HETATM 1480 H8 EFN A 70 -10.273 8.100 -0.642 1.00 0.03 H HETATM 1481 H7 EFN A 70 -10.862 11.182 -2.220 1.00 0.21 H HETATM 1482 H6 EFN A 70 -8.605 7.121 -3.538 1.00 0.06 H HETATM 1483 H5 EFN A 70 -9.822 7.040 -7.623 1.00 0.06 H HETATM 1484 H4 EFN A 70 -10.441 9.448 -7.510 1.00 0.06 H HETATM 1485 H1 EFN A 70 -10.935 12.693 -6.069 1.00 0.06 H HETATM 1486 H2 EFN A 70 -11.700 11.172 -6.640 1.00 0.06 H HETATM 1487 H3 EFN A 70 -10.051 11.612 -7.199 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1444 1445 1485 1486 1487 CONECT 1445 1444 1446 CONECT 1446 1445 1447 1452 CONECT 1447 1446 1448 1484 CONECT 1448 1447 1449 1483 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1482 CONECT 1452 1446 1451 1453 CONECT 1453 1452 1454 1455 1456 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1453 1457 1481 CONECT 1457 1456 1458 1475 CONECT 1458 1457 1459 1480 CONECT 1459 1458 1460 1473 CONECT 1460 1459 1461 CONECT 1461 1460 1462 1466 1470 CONECT 1462 1461 1463 1464 1465 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1462 CONECT 1466 1461 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1461 1471 1472 CONECT 1471 1470 CONECT 1472 1470 1473 1479 CONECT 1473 1459 1472 1474 CONECT 1474 1473 1475 1478 CONECT 1475 1457 1474 1476 CONECT 1476 1475 1477 CONECT 1477 1476 CONECT 1478 1474 CONECT 1479 1472 CONECT 1480 1458 CONECT 1481 1456 CONECT 1482 1451 CONECT 1483 1448 CONECT 1484 1447 CONECT 1485 1444 CONECT 1486 1444 CONECT 1487 1444 MASTER 0 0 0 0 0 0 0 0 1486 1 48 11 END
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Protein Sequence Similarity
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5y8w
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PDBbind
141aa, >5Y8W_1|Chain... at 92%
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RCSB PDB
PDBbind
141aa, >5Y8Y_1|Chain... at 92%
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PDBbind
141aa, >5Y8Z_1|Chain... at 92%
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PDBbind
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5y94
RCSB PDB
PDBbind
141aa, >5Y94_1|Chain... at 92%
5z1s
RCSB PDB
PDBbind
141aa, >5Z1S_1|Chain... at 92%
5z1r
RCSB PDB
PDBbind
141aa, >5Z1R_1|Chain... at 92%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5z1t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 4
Ligand Name
EFN
EC.Number
E.C.-.-.-.-
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
IC50=0.63uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Med.Chem.Lett. Vol. 9: pp. 262-267
Ligand Properties
Formula
C
1
7
H
1
7
BrN
2
O
6
S
Molecular Weight
457.296
Exact Mass
455.999
No. of atoms
44
No. of bonds
46
Polar Surface Area
122.34
LOGP Value
2.30 (
Computed with XLOGP3
)
4.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1S(=O)(=O)Nc1cc2OC(C)(C)C(=O)Nc2cc1O)Br
InChI String
InChI=1S/C17H17BrN2O6S/c1-17(2)16(22)19-11-7-12(21)10(8-14(11)26-17)20-27(23,24)15-6-9(18)4-5-13(15)25-3/h4-8,20-21H,1-3H3,(H,19,22)
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):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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