Browse entries in the PDBbind-CN Database
HEADER 6AR4_COMPLEX COMPND 6AR4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 VAL PRO GLY LYS VAL THR LEU GLN LYS ASP ALA GLN ASN SEQRES 2 A 86 LEU ILE GLY ILE SER ILE GLY GLY GLY ALA GLN TYR CYS SEQRES 3 A 86 PRO CYS LEU TYR ILE VAL GLN VAL PHE ASP ASN THR PRO SEQRES 4 A 86 ALA ALA LEU ASP GLY THR VAL ALA ALA GLY ASP GLU ILE SEQRES 5 A 86 THR GLY VAL ASN GLY ARG SER ILE LYS GLY LYS THR LYS SEQRES 6 A 86 VAL GLU VAL ALA LYS MET ILE GLN GLU VAL LYS GLY GLU SEQRES 7 A 86 VAL THR ILE HIS TYR ASN LYS LEU SEQRES 1 B 87 THR VAL PRO GLY LYS VAL THR LEU GLN LYS ASP ALA GLN SEQRES 2 B 87 ASN LEU ILE GLY ILE SER ILE GLY GLY GLY ALA GLN TYR SEQRES 3 B 87 CYS PRO CYS LEU TYR ILE VAL GLN VAL PHE ASP ASN THR SEQRES 4 B 87 PRO ALA ALA LEU ASP GLY THR VAL ALA ALA GLY ASP GLU SEQRES 5 B 87 ILE THR GLY VAL ASN GLY ARG SER ILE LYS GLY LYS THR SEQRES 6 B 87 LYS VAL GLU VAL ALA LYS MET ILE GLN GLU VAL LYS GLY SEQRES 7 B 87 GLU VAL THR ILE HIS TYR ASN LYS LEU HET BQA A 421 63 SSBOND 1 CYS A 46 CYS B 44 ATOM 1 N VAL A 19 -37.481 10.957 -5.194 1.00 54.50 N ATOM 2 CA VAL A 19 -37.498 12.320 -4.571 1.00 49.78 C ATOM 3 C VAL A 19 -36.054 12.841 -4.424 1.00 45.51 C ATOM 4 O VAL A 19 -35.280 12.320 -3.555 1.00 43.19 O ATOM 5 CB VAL A 19 -38.323 12.465 -3.233 1.00 51.14 C ATOM 6 CG1 VAL A 19 -39.836 12.264 -3.449 1.00 45.99 C ATOM 7 CG2 VAL A 19 -37.908 11.514 -2.155 1.00 55.85 C ATOM 8 HN3 VAL A 19 -36.939 10.307 -4.589 1.00 0.00 H ATOM 9 HN2 VAL A 19 -37.036 11.012 -6.132 1.00 0.00 H ATOM 10 HN1 VAL A 19 -38.456 10.609 -5.291 1.00 0.00 H ATOM 11 N PRO A 20 -35.685 13.810 -5.282 1.00 34.08 N ATOM 12 CA PRO A 20 -34.304 14.368 -5.149 1.00 31.04 C ATOM 13 C PRO A 20 -34.104 15.269 -3.965 1.00 32.26 C ATOM 14 O PRO A 20 -35.034 15.817 -3.438 1.00 35.46 O ATOM 15 CB PRO A 20 -34.166 15.127 -6.458 1.00 30.04 C ATOM 16 CG PRO A 20 -35.513 15.728 -6.645 1.00 37.18 C ATOM 17 CD PRO A 20 -36.458 14.647 -6.244 1.00 39.04 C ATOM 18 N GLY A 21 -32.854 15.459 -3.504 1.00 25.02 N ATOM 19 CA GLY A 21 -32.644 16.285 -2.333 1.00 24.93 C ATOM 20 C GLY A 21 -31.178 16.696 -2.383 1.00 22.55 C ATOM 21 O GLY A 21 -30.428 16.102 -3.190 1.00 19.99 O ATOM 22 H GLY A 21 -32.045 15.016 -3.985 1.00 0.00 H ATOM 23 N LYS A 22 -30.848 17.682 -1.593 1.00 25.19 N ATOM 24 CA LYS A 22 -29.428 18.034 -1.333 1.00 25.85 C ATOM 25 C LYS A 22 -29.220 18.464 0.111 1.00 21.02 C ATOM 26 O LYS A 22 -30.105 19.052 0.794 1.00 25.06 O ATOM 27 CB LYS A 22 -28.837 19.116 -2.224 1.00 28.78 C ATOM 28 CG LYS A 22 -29.657 20.334 -2.319 1.00 32.52 C ATOM 29 CD LYS A 22 -29.019 21.287 -3.358 1.00 35.08 C ATOM 30 CE LYS A 22 -29.626 22.707 -3.271 1.00 37.49 C ATOM 31 NZ LYS A 22 -28.805 23.547 -4.252 1.00 36.94 N ATOM 32 HZ1 LYS A 22 -27.806 23.537 -3.963 1.00 0.00 H ATOM 33 HZ2 LYS A 22 -28.895 23.148 -5.208 1.00 0.00 H ATOM 34 HZ3 LYS A 22 -29.158 24.525 -4.249 1.00 0.00 H ATOM 35 H LYS A 22 -31.599 18.236 -1.134 1.00 0.00 H ATOM 36 N VAL A 23 -28.055 18.226 0.635 1.00 21.47 N ATOM 37 CA VAL A 23 -27.739 18.520 1.997 1.00 20.51 C ATOM 38 C VAL A 23 -26.284 18.908 2.098 1.00 22.83 C ATOM 39 O VAL A 23 -25.402 18.275 1.545 1.00 19.53 O ATOM 40 CB VAL A 23 -28.109 17.387 3.021 1.00 21.13 C ATOM 41 CG1 VAL A 23 -27.267 16.100 2.738 1.00 23.05 C ATOM 42 CG2 VAL A 23 -28.017 17.878 4.490 1.00 20.60 C ATOM 43 H VAL A 23 -27.319 17.802 0.035 1.00 0.00 H ATOM 44 N THR A 24 -26.036 20.006 2.779 1.00 19.25 N ATOM 45 CA THR A 24 -24.658 20.422 3.045 1.00 19.22 C ATOM 46 C THR A 24 -24.306 19.935 4.397 1.00 20.96 C ATOM 47 O THR A 24 -24.992 20.291 5.441 1.00 21.26 O ATOM 48 CB THR A 24 -24.598 22.000 2.955 1.00 18.68 C ATOM 49 OG1 THR A 24 -25.029 22.426 1.696 1.00 22.65 O ATOM 50 CG2 THR A 24 -23.107 22.346 3.179 1.00 22.92 C ATOM 51 HG1 THR A 24 -24.987 23.414 1.651 1.00 0.00 H ATOM 52 H THR A 24 -26.826 20.583 3.131 1.00 0.00 H ATOM 53 N LEU A 25 -23.259 19.104 4.511 1.00 20.16 N ATOM 54 CA LEU A 25 -22.690 18.556 5.755 1.00 21.22 C ATOM 55 C LEU A 25 -21.327 19.207 6.180 1.00 20.53 C ATOM 56 O LEU A 25 -20.420 19.372 5.313 1.00 28.05 O ATOM 57 CB LEU A 25 -22.454 17.053 5.657 1.00 22.68 C ATOM 58 CG LEU A 25 -23.820 16.427 5.388 1.00 21.25 C ATOM 59 CD1 LEU A 25 -23.748 14.938 4.960 1.00 22.87 C ATOM 60 CD2 LEU A 25 -24.946 16.703 6.346 1.00 23.22 C ATOM 61 H LEU A 25 -22.799 18.815 3.624 1.00 0.00 H ATOM 62 N GLN A 26 -21.196 19.556 7.452 1.00 23.40 N ATOM 63 CA GLN A 26 -19.901 20.085 7.925 1.00 23.13 C ATOM 64 C GLN A 26 -18.985 18.875 8.194 1.00 27.77 C ATOM 65 O GLN A 26 -19.380 18.018 8.927 1.00 33.66 O ATOM 66 CB GLN A 26 -20.018 20.938 9.205 1.00 21.58 C ATOM 67 CG GLN A 26 -20.997 22.071 9.194 1.00 27.73 C ATOM 68 CD GLN A 26 -20.668 23.040 8.093 1.00 30.46 C ATOM 69 OE1 GLN A 26 -19.470 23.452 7.969 1.00 31.30 O ATOM 70 NE2 GLN A 26 -21.641 23.390 7.219 1.00 30.82 N ATOM 71 HE22 GLN A 26 -22.610 23.035 7.350 1.00 0.00 H ATOM 72 HE21 GLN A 26 -21.420 24.014 6.417 1.00 0.00 H ATOM 73 H GLN A 26 -21.996 19.458 8.109 1.00 0.00 H ATOM 74 N LYS A 27 -17.788 18.872 7.557 1.00 19.38 N ATOM 75 CA LYS A 27 -16.684 17.898 7.730 1.00 21.13 C ATOM 76 C LYS A 27 -16.242 17.887 9.196 1.00 26.59 C ATOM 77 O LYS A 27 -16.142 18.934 9.845 1.00 21.65 O ATOM 78 CB LYS A 27 -15.439 18.231 6.940 1.00 18.70 C ATOM 79 CG LYS A 27 -15.555 18.110 5.398 1.00 22.07 C ATOM 80 CD LYS A 27 -15.987 16.723 4.953 1.00 18.62 C ATOM 81 CE LYS A 27 -15.889 16.478 3.478 1.00 19.35 C ATOM 82 NZ LYS A 27 -14.514 16.111 3.021 1.00 17.91 N ATOM 83 HZ1 LYS A 27 -13.856 16.882 3.252 1.00 0.00 H ATOM 84 HZ2 LYS A 27 -14.211 15.240 3.501 1.00 0.00 H ATOM 85 HZ3 LYS A 27 -14.522 15.957 1.993 1.00 0.00 H ATOM 86 H LYS A 27 -17.627 19.637 6.872 1.00 0.00 H ATOM 87 N ASP A 28 -15.917 16.673 9.735 1.00 19.75 N ATOM 88 CA ASP A 28 -15.357 16.588 11.069 1.00 26.01 C ATOM 89 C ASP A 28 -13.857 16.981 11.077 1.00 28.46 C ATOM 90 O ASP A 28 -13.295 17.249 10.007 1.00 27.37 O ATOM 91 CB ASP A 28 -15.634 15.230 11.701 1.00 27.89 C ATOM 92 CG ASP A 28 -14.848 14.142 11.096 1.00 31.87 C ATOM 93 OD1 ASP A 28 -13.823 14.293 10.313 1.00 32.61 O ATOM 94 OD2 ASP A 28 -15.260 13.026 11.494 1.00 30.85 O ATOM 95 H ASP A 28 -16.073 15.805 9.184 1.00 0.00 H ATOM 96 N ALA A 29 -13.245 16.919 12.291 1.00 31.74 N ATOM 97 CA ALA A 29 -11.771 17.204 12.428 1.00 33.97 C ATOM 98 C ALA A 29 -10.860 16.296 11.600 1.00 32.25 C ATOM 99 O ALA A 29 -9.714 16.667 11.255 1.00 37.54 O ATOM 100 CB ALA A 29 -11.442 17.116 13.944 1.00 30.38 C ATOM 101 H ALA A 29 -13.801 16.672 13.134 1.00 0.00 H ATOM 102 N GLN A 30 -11.317 15.107 11.232 1.00 25.57 N ATOM 103 CA GLN A 30 -10.590 14.166 10.366 1.00 27.76 C ATOM 104 C GLN A 30 -11.020 14.264 8.932 1.00 24.14 C ATOM 105 O GLN A 30 -10.692 13.376 8.149 1.00 30.05 O ATOM 106 CB GLN A 30 -10.789 12.677 10.777 1.00 30.69 C ATOM 107 CG GLN A 30 -9.928 12.177 11.941 1.00 43.35 C ATOM 108 CD GLN A 30 -10.228 12.934 13.209 1.00 39.40 C ATOM 109 OE1 GLN A 30 -9.350 13.555 13.778 1.00 50.57 O ATOM 110 NE2 GLN A 30 -11.492 12.946 13.608 1.00 40.80 N ATOM 111 HE22 GLN A 30 -12.207 12.398 13.088 1.00 0.00 H ATOM 112 HE21 GLN A 30 -11.769 13.503 14.441 1.00 0.00 H ATOM 113 H GLN A 30 -12.254 14.820 11.580 1.00 0.00 H ATOM 114 N ASN A 31 -11.722 15.341 8.523 1.00 24.70 N ATOM 115 CA ASN A 31 -12.141 15.607 7.160 1.00 25.40 C ATOM 116 C ASN A 31 -13.079 14.487 6.607 1.00 23.92 C ATOM 117 O ASN A 31 -12.962 14.148 5.466 1.00 28.64 O ATOM 118 CB ASN A 31 -10.973 15.800 6.216 1.00 25.41 C ATOM 119 CG ASN A 31 -11.346 16.253 4.814 1.00 25.05 C ATOM 120 OD1 ASN A 31 -10.828 15.777 3.834 1.00 27.77 O ATOM 121 ND2 ASN A 31 -12.340 17.135 4.736 1.00 20.63 N ATOM 122 HD22 ASN A 31 -12.761 17.523 5.605 1.00 0.00 H ATOM 123 HD21 ASN A 31 -12.696 17.436 3.806 1.00 0.00 H ATOM 124 H ASN A 31 -11.985 16.040 9.247 1.00 0.00 H ATOM 125 N LEU A 32 -13.972 14.074 7.483 1.00 24.57 N ATOM 126 CA LEU A 32 -14.989 13.095 7.148 1.00 27.71 C ATOM 127 C LEU A 32 -16.400 13.682 7.405 1.00 22.21 C ATOM 128 O LEU A 32 -16.639 14.357 8.359 1.00 21.59 O ATOM 129 CB LEU A 32 -14.791 11.802 7.990 1.00 28.57 C ATOM 130 CG LEU A 32 -13.465 11.081 7.671 1.00 32.79 C ATOM 131 CD1 LEU A 32 -13.236 9.909 8.649 1.00 35.74 C ATOM 132 CD2 LEU A 32 -13.187 10.563 6.276 1.00 38.68 C ATOM 133 H LEU A 32 -13.947 14.463 8.447 1.00 0.00 H ATOM 134 N ILE A 33 -17.362 13.105 6.605 1.00 23.65 N ATOM 135 CA ILE A 33 -18.840 13.224 6.841 1.00 20.64 C ATOM 136 C ILE A 33 -19.417 11.990 7.540 1.00 19.83 C ATOM 137 O ILE A 33 -20.417 12.128 8.372 1.00 22.95 O ATOM 138 CB ILE A 33 -19.700 13.618 5.611 1.00 21.29 C ATOM 139 CG1 ILE A 33 -19.798 12.515 4.563 1.00 24.29 C ATOM 140 CG2 ILE A 33 -19.300 15.033 5.052 1.00 22.62 C ATOM 141 CD1 ILE A 33 -20.193 12.880 3.208 1.00 19.77 C ATOM 142 H ILE A 33 -17.044 12.551 5.784 1.00 0.00 H ATOM 143 N GLY A 34 -18.788 10.835 7.373 1.00 18.52 N ATOM 144 CA GLY A 34 -19.331 9.594 8.017 1.00 20.75 C ATOM 145 C GLY A 34 -20.161 8.654 7.230 1.00 20.05 C ATOM 146 O GLY A 34 -21.103 8.077 7.864 1.00 17.95 O ATOM 147 H GLY A 34 -17.922 10.790 6.798 1.00 0.00 H ATOM 148 N ILE A 35 -19.832 8.481 5.987 1.00 20.49 N ATOM 149 CA ILE A 35 -20.591 7.520 5.147 1.00 18.56 C ATOM 150 C ILE A 35 -19.717 6.593 4.452 1.00 23.05 C ATOM 151 O ILE A 35 -18.520 6.801 4.250 1.00 21.05 O ATOM 152 CB ILE A 35 -21.502 8.153 4.101 1.00 20.97 C ATOM 153 CG1 ILE A 35 -20.687 8.937 3.038 1.00 19.17 C ATOM 154 CG2 ILE A 35 -22.598 8.935 4.820 1.00 20.01 C ATOM 155 CD1 ILE A 35 -21.583 9.458 1.909 1.00 22.07 C ATOM 156 H ILE A 35 -19.038 9.015 5.579 1.00 0.00 H ATOM 157 N SER A 36 -20.326 5.403 4.239 1.00 19.37 N ATOM 158 CA SER A 36 -19.857 4.406 3.244 1.00 23.03 C ATOM 159 C SER A 36 -20.705 4.455 1.943 1.00 17.83 C ATOM 160 O SER A 36 -21.919 4.783 1.892 1.00 19.96 O ATOM 161 CB SER A 36 -20.064 3.019 3.758 1.00 26.57 C ATOM 162 OG SER A 36 -18.888 2.585 4.333 1.00 24.40 O ATOM 163 HG SER A 36 -19.011 1.665 4.679 1.00 0.00 H ATOM 164 H SER A 36 -21.169 5.175 4.804 1.00 0.00 H ATOM 165 N ILE A 37 -19.985 4.126 0.856 1.00 18.48 N ATOM 166 CA ILE A 37 -20.639 4.049 -0.357 1.00 18.59 C ATOM 167 C ILE A 37 -20.439 2.689 -1.133 1.00 20.50 C ATOM 168 O ILE A 37 -19.429 1.923 -0.818 1.00 27.45 O ATOM 169 CB ILE A 37 -20.369 5.206 -1.321 1.00 20.38 C ATOM 170 CG1 ILE A 37 -18.861 5.193 -1.740 1.00 21.60 C ATOM 171 CG2 ILE A 37 -20.796 6.449 -0.706 1.00 23.00 C ATOM 172 CD1 ILE A 37 -18.576 6.015 -2.903 1.00 26.95 C ATOM 173 H ILE A 37 -18.965 3.935 0.927 1.00 0.00 H ATOM 174 N GLY A 38 -21.391 2.416 -1.983 1.00 21.92 N ATOM 175 CA GLY A 38 -21.391 1.214 -2.841 1.00 23.43 C ATOM 176 C GLY A 38 -21.963 1.484 -4.209 1.00 21.66 C ATOM 177 O GLY A 38 -22.585 2.540 -4.509 1.00 24.77 O ATOM 178 H GLY A 38 -22.189 3.078 -2.060 1.00 0.00 H ATOM 179 N GLY A 39 -21.750 0.545 -5.131 1.00 22.91 N ATOM 180 CA GLY A 39 -22.136 0.896 -6.529 1.00 24.38 C ATOM 181 C GLY A 39 -20.982 1.292 -7.456 1.00 23.65 C ATOM 182 O GLY A 39 -19.786 1.202 -7.057 1.00 24.22 O ATOM 183 H GLY A 39 -21.338 -0.379 -4.890 1.00 0.00 H ATOM 184 N GLY A 40 -21.352 1.828 -8.618 1.00 26.75 N ATOM 185 CA GLY A 40 -20.402 2.430 -9.556 1.00 32.79 C ATOM 186 C GLY A 40 -19.369 1.486 -10.092 1.00 31.74 C ATOM 187 O GLY A 40 -18.213 1.897 -10.342 1.00 48.91 O ATOM 188 H GLY A 40 -22.361 1.819 -8.870 1.00 0.00 H ATOM 189 N ALA A 41 -19.806 0.283 -10.360 1.00 36.04 N ATOM 190 CA ALA A 41 -18.985 -0.716 -10.945 1.00 42.48 C ATOM 191 C ALA A 41 -19.462 -1.034 -12.351 1.00 45.45 C ATOM 192 O ALA A 41 -20.340 -0.416 -12.893 1.00 36.44 O ATOM 193 CB ALA A 41 -19.013 -1.946 -10.112 1.00 42.55 C ATOM 194 H ALA A 41 -20.794 0.049 -10.136 1.00 0.00 H ATOM 195 N GLN A 42 -18.828 -2.024 -12.936 1.00 50.44 N ATOM 196 CA GLN A 42 -19.200 -2.463 -14.244 1.00 45.73 C ATOM 197 C GLN A 42 -20.510 -3.121 -14.011 1.00 36.17 C ATOM 198 O GLN A 42 -20.660 -3.868 -13.073 1.00 38.54 O ATOM 199 CB GLN A 42 -18.224 -3.487 -14.775 1.00 48.92 C ATOM 200 H GLN A 42 -18.044 -2.495 -12.441 1.00 0.00 H ATOM 201 N TYR A 43 -21.434 -2.780 -14.883 1.00 32.66 N ATOM 202 CA TYR A 43 -22.788 -3.270 -14.911 1.00 37.86 C ATOM 203 C TYR A 43 -23.724 -2.691 -13.868 1.00 35.71 C ATOM 204 O TYR A 43 -24.908 -2.820 -13.983 1.00 43.62 O ATOM 205 CB TYR A 43 -22.799 -4.786 -14.994 1.00 33.73 C ATOM 206 CG TYR A 43 -21.890 -5.235 -16.119 1.00 39.43 C ATOM 207 CD1 TYR A 43 -22.002 -4.696 -17.383 1.00 32.56 C ATOM 208 CD2 TYR A 43 -20.895 -6.131 -15.897 1.00 37.98 C ATOM 209 CE1 TYR A 43 -21.160 -5.089 -18.390 1.00 31.86 C ATOM 210 CE2 TYR A 43 -20.055 -6.520 -16.889 1.00 40.88 C ATOM 211 CZ TYR A 43 -20.190 -5.999 -18.127 1.00 27.68 C ATOM 212 OH TYR A 43 -19.311 -6.406 -19.063 1.00 43.46 O ATOM 213 HH TYR A 43 -19.513 -5.956 -19.921 1.00 0.00 H ATOM 214 H TYR A 43 -21.163 -2.096 -15.618 1.00 0.00 H ATOM 215 N CYS A 44 -23.163 -2.015 -12.884 1.00 32.76 N ATOM 216 CA CYS A 44 -23.906 -1.414 -11.799 1.00 32.53 C ATOM 217 C CYS A 44 -23.538 0.058 -11.669 1.00 30.48 C ATOM 218 O CYS A 44 -22.849 0.432 -10.794 1.00 30.12 O ATOM 219 CB CYS A 44 -23.576 -2.166 -10.525 1.00 34.14 C ATOM 220 SG CYS A 44 -23.908 -3.944 -10.584 1.00 40.62 S ATOM 221 H CYS A 44 -22.128 -1.908 -12.889 1.00 0.00 H ATOM 222 N PRO A 45 -24.031 0.871 -12.581 1.00 31.46 N ATOM 223 CA PRO A 45 -23.690 2.325 -12.604 1.00 32.01 C ATOM 224 C PRO A 45 -24.058 3.100 -11.334 1.00 31.19 C ATOM 225 O PRO A 45 -23.199 3.961 -10.895 1.00 35.82 O ATOM 226 CB PRO A 45 -24.447 2.827 -13.855 1.00 33.23 C ATOM 227 CG PRO A 45 -25.523 1.821 -14.189 1.00 30.57 C ATOM 228 CD PRO A 45 -24.890 0.537 -13.727 1.00 28.98 C ATOM 229 N CYS A 46 -25.245 2.840 -10.772 1.00 29.05 N ATOM 230 CA CYS A 46 -25.736 3.764 -9.691 1.00 28.04 C ATOM 231 C CYS A 46 -24.849 3.737 -8.477 1.00 26.19 C ATOM 232 O CYS A 46 -24.184 2.757 -8.182 1.00 23.41 O ATOM 233 CB CYS A 46 -27.144 3.538 -9.428 1.00 29.04 C ATOM 234 SG CYS A 46 -27.870 3.926 -11.036 1.00 41.73 S ATOM 235 H CYS A 46 -25.812 2.022 -11.074 1.00 0.00 H ATOM 236 N LEU A 47 -24.846 4.816 -7.661 1.00 19.90 N ATOM 237 CA LEU A 47 -24.009 4.935 -6.446 1.00 21.31 C ATOM 238 C LEU A 47 -24.907 5.189 -5.263 1.00 20.55 C ATOM 239 O LEU A 47 -25.934 5.899 -5.400 1.00 17.94 O ATOM 240 CB LEU A 47 -22.986 6.088 -6.467 1.00 24.46 C ATOM 241 CG LEU A 47 -21.646 6.013 -7.171 1.00 31.20 C ATOM 242 CD1 LEU A 47 -20.672 4.931 -6.721 1.00 30.69 C ATOM 243 CD2 LEU A 47 -21.935 6.020 -8.609 1.00 32.70 C ATOM 244 H LEU A 47 -25.471 5.612 -7.902 1.00 0.00 H ATOM 245 N TYR A 48 -24.645 4.531 -4.121 1.00 18.97 N ATOM 246 CA TYR A 48 -25.443 4.561 -2.987 1.00 20.66 C ATOM 247 C TYR A 48 -24.715 4.844 -1.689 1.00 16.88 C ATOM 248 O TYR A 48 -23.585 4.413 -1.478 1.00 18.82 O ATOM 249 CB TYR A 48 -26.286 3.214 -2.770 1.00 21.30 C ATOM 250 CG TYR A 48 -27.155 2.883 -3.933 1.00 21.39 C ATOM 251 CD1 TYR A 48 -28.496 3.406 -3.956 1.00 19.99 C ATOM 252 CD2 TYR A 48 -26.738 2.115 -5.037 1.00 20.98 C ATOM 253 CE1 TYR A 48 -29.358 3.152 -4.954 1.00 22.67 C ATOM 254 CE2 TYR A 48 -27.613 1.823 -6.053 1.00 22.84 C ATOM 255 CZ TYR A 48 -28.918 2.365 -6.031 1.00 19.73 C ATOM 256 OH TYR A 48 -29.698 2.054 -7.087 1.00 26.11 O ATOM 257 HH TYR A 48 -29.806 1.071 -7.138 1.00 0.00 H ATOM 258 H TYR A 48 -23.779 3.956 -4.085 1.00 0.00 H ATOM 259 N ILE A 49 -25.411 5.459 -0.716 1.00 16.57 N ATOM 260 CA ILE A 49 -25.031 5.354 0.653 1.00 17.91 C ATOM 261 C ILE A 49 -25.314 4.019 1.294 1.00 19.77 C ATOM 262 O ILE A 49 -26.471 3.613 1.276 1.00 26.77 O ATOM 263 CB ILE A 49 -25.627 6.414 1.546 1.00 19.26 C ATOM 264 CG1 ILE A 49 -25.298 7.777 0.973 1.00 20.53 C ATOM 265 CG2 ILE A 49 -25.066 6.395 2.934 1.00 18.57 C ATOM 266 CD1 ILE A 49 -25.978 8.901 1.717 1.00 29.11 C ATOM 267 H ILE A 49 -26.246 6.025 -0.969 1.00 0.00 H ATOM 268 N VAL A 50 -24.273 3.288 1.621 1.00 17.68 N ATOM 269 CA VAL A 50 -24.335 2.013 2.273 1.00 19.04 C ATOM 270 C VAL A 50 -24.406 2.040 3.827 1.00 21.99 C ATOM 271 O VAL A 50 -25.251 1.370 4.403 1.00 26.47 O ATOM 272 CB VAL A 50 -23.195 1.189 1.748 1.00 24.44 C ATOM 273 CG1 VAL A 50 -23.099 -0.148 2.478 1.00 25.89 C ATOM 274 CG2 VAL A 50 -23.404 0.949 0.258 1.00 22.22 C ATOM 275 H VAL A 50 -23.331 3.663 1.389 1.00 0.00 H ATOM 276 N GLN A 51 -23.586 2.815 4.531 1.00 20.17 N ATOM 277 CA GLN A 51 -23.594 2.978 5.900 1.00 17.45 C ATOM 278 C GLN A 51 -23.466 4.417 6.274 1.00 20.02 C ATOM 279 O GLN A 51 -22.739 5.167 5.523 1.00 21.30 O ATOM 280 CB GLN A 51 -22.542 2.187 6.576 1.00 22.63 C ATOM 281 CG GLN A 51 -22.771 1.910 8.034 1.00 26.04 C ATOM 282 CD GLN A 51 -21.798 0.862 8.606 1.00 28.36 C ATOM 283 OE1 GLN A 51 -21.127 0.158 7.910 1.00 28.33 O ATOM 284 NE2 GLN A 51 -21.782 0.783 9.902 1.00 27.34 N ATOM 285 HE22 GLN A 51 -22.382 1.415 10.469 1.00 0.00 H ATOM 286 HE21 GLN A 51 -21.169 0.087 10.373 1.00 0.00 H ATOM 287 H GLN A 51 -22.870 3.349 3.998 1.00 0.00 H ATOM 288 N VAL A 52 -24.187 4.779 7.324 1.00 20.49 N ATOM 289 CA VAL A 52 -23.963 6.098 7.943 1.00 19.84 C ATOM 290 C VAL A 52 -23.489 5.798 9.361 1.00 21.21 C ATOM 291 O VAL A 52 -24.125 5.017 10.086 1.00 22.05 O ATOM 292 CB VAL A 52 -25.288 6.943 8.017 1.00 21.33 C ATOM 293 CG1 VAL A 52 -24.991 8.321 8.602 1.00 25.25 C ATOM 294 CG2 VAL A 52 -25.916 7.111 6.616 1.00 21.95 C ATOM 295 H VAL A 52 -24.908 4.136 7.710 1.00 0.00 H ATOM 296 N PHE A 53 -22.279 6.263 9.726 1.00 20.33 N ATOM 297 CA PHE A 53 -21.714 5.899 10.960 1.00 21.97 C ATOM 298 C PHE A 53 -22.118 6.722 12.107 1.00 19.66 C ATOM 299 O PHE A 53 -22.106 7.958 12.002 1.00 19.60 O ATOM 300 CB PHE A 53 -20.155 5.797 10.893 1.00 24.05 C ATOM 301 CG PHE A 53 -19.671 4.813 9.853 1.00 20.96 C ATOM 302 CD1 PHE A 53 -19.514 3.459 10.251 1.00 31.03 C ATOM 303 CD2 PHE A 53 -19.443 5.147 8.554 1.00 30.15 C ATOM 304 CE1 PHE A 53 -18.987 2.529 9.349 1.00 32.42 C ATOM 305 CE2 PHE A 53 -19.009 4.225 7.615 1.00 32.31 C ATOM 306 CZ PHE A 53 -18.821 2.880 8.018 1.00 31.26 C ATOM 307 H PHE A 53 -21.758 6.898 9.088 1.00 0.00 H ATOM 308 N ASP A 54 -22.374 6.075 13.302 1.00 20.94 N ATOM 309 CA ASP A 54 -22.694 6.921 14.474 1.00 18.67 C ATOM 310 C ASP A 54 -21.769 8.004 14.857 1.00 19.08 C ATOM 311 O ASP A 54 -20.538 7.940 14.700 1.00 22.69 O ATOM 312 CB ASP A 54 -23.016 6.141 15.721 1.00 20.69 C ATOM 313 CG ASP A 54 -24.091 4.962 15.506 1.00 26.92 C ATOM 314 OD1 ASP A 54 -24.856 5.032 14.527 1.00 26.54 O ATOM 315 OD2 ASP A 54 -24.212 4.140 16.439 1.00 32.70 O ATOM 316 H ASP A 54 -22.343 5.038 13.374 1.00 0.00 H ATOM 317 N ASN A 55 -22.387 9.086 15.320 1.00 23.07 N ATOM 318 CA ASN A 55 -21.642 10.258 15.900 1.00 22.60 C ATOM 319 C ASN A 55 -20.811 11.070 14.920 1.00 23.13 C ATOM 320 O ASN A 55 -19.909 11.820 15.352 1.00 28.85 O ATOM 321 CB ASN A 55 -20.787 9.872 17.106 1.00 25.95 C ATOM 322 CG ASN A 55 -21.306 10.496 18.334 1.00 28.21 C ATOM 323 OD1 ASN A 55 -21.283 11.705 18.430 1.00 30.31 O ATOM 324 ND2 ASN A 55 -21.825 9.683 19.262 1.00 30.77 N ATOM 325 HD22 ASN A 55 -21.812 8.653 19.117 1.00 0.00 H ATOM 326 HD21 ASN A 55 -22.241 10.081 20.128 1.00 0.00 H ATOM 327 H ASN A 55 -23.426 9.124 15.280 1.00 0.00 H ATOM 328 N THR A 56 -21.161 10.915 13.651 1.00 18.92 N ATOM 329 CA THR A 56 -20.565 11.662 12.559 1.00 18.38 C ATOM 330 C THR A 56 -21.440 12.772 12.078 1.00 20.07 C ATOM 331 O THR A 56 -22.529 12.799 12.393 1.00 19.86 O ATOM 332 CB THR A 56 -20.312 10.720 11.404 1.00 21.49 C ATOM 333 OG1 THR A 56 -21.597 10.241 10.902 1.00 18.60 O ATOM 334 CG2 THR A 56 -19.429 9.596 11.822 1.00 22.15 C ATOM 335 HG1 THR A 56 -22.076 9.766 11.626 1.00 0.00 H ATOM 336 H THR A 56 -21.902 10.221 13.426 1.00 0.00 H ATOM 337 N PRO A 57 -20.895 13.715 11.260 1.00 21.00 N ATOM 338 CA PRO A 57 -21.786 14.694 10.745 1.00 21.73 C ATOM 339 C PRO A 57 -23.006 14.135 10.029 1.00 20.29 C ATOM 340 O PRO A 57 -24.121 14.605 10.207 1.00 22.11 O ATOM 341 CB PRO A 57 -20.888 15.558 9.873 1.00 22.51 C ATOM 342 CG PRO A 57 -19.491 15.314 10.417 1.00 26.35 C ATOM 343 CD PRO A 57 -19.473 13.965 10.943 1.00 21.91 C ATOM 344 N ALA A 58 -22.741 13.183 9.138 1.00 17.13 N ATOM 345 CA ALA A 58 -23.905 12.662 8.405 1.00 20.36 C ATOM 346 C ALA A 58 -24.972 12.096 9.369 1.00 17.38 C ATOM 347 O ALA A 58 -26.134 12.236 9.198 1.00 19.88 O ATOM 348 CB ALA A 58 -23.445 11.604 7.386 1.00 20.14 C ATOM 349 H ALA A 58 -21.777 12.831 8.971 1.00 0.00 H ATOM 350 N ALA A 59 -24.478 11.350 10.381 1.00 17.99 N ATOM 351 CA ALA A 59 -25.464 10.667 11.248 1.00 19.65 C ATOM 352 C ALA A 59 -26.308 11.725 12.065 1.00 21.75 C ATOM 353 O ALA A 59 -27.462 11.519 12.317 1.00 23.36 O ATOM 354 CB ALA A 59 -24.861 9.755 12.149 1.00 20.54 C ATOM 355 H ALA A 59 -23.455 11.260 10.543 1.00 0.00 H ATOM 356 N LEU A 60 -25.633 12.765 12.497 1.00 21.49 N ATOM 357 CA LEU A 60 -26.244 13.708 13.485 1.00 26.08 C ATOM 358 C LEU A 60 -27.114 14.694 12.700 1.00 28.06 C ATOM 359 O LEU A 60 -28.113 15.175 13.198 1.00 29.46 O ATOM 360 CB LEU A 60 -25.138 14.435 14.273 1.00 24.63 C ATOM 361 CG LEU A 60 -24.498 13.433 15.330 1.00 24.19 C ATOM 362 CD1 LEU A 60 -23.208 14.073 15.907 1.00 31.68 C ATOM 363 CD2 LEU A 60 -25.545 13.019 16.311 1.00 30.51 C ATOM 364 H LEU A 60 -24.667 12.934 12.150 1.00 0.00 H ATOM 365 N ASP A 61 -26.788 14.964 11.451 1.00 23.53 N ATOM 366 CA ASP A 61 -27.676 15.769 10.554 1.00 21.93 C ATOM 367 C ASP A 61 -28.997 15.074 10.380 1.00 25.29 C ATOM 368 O ASP A 61 -30.110 15.705 10.391 1.00 25.62 O ATOM 369 CB ASP A 61 -26.990 16.132 9.261 1.00 24.09 C ATOM 370 CG ASP A 61 -27.907 16.784 8.339 1.00 25.35 C ATOM 371 OD1 ASP A 61 -28.111 17.994 8.484 1.00 25.60 O ATOM 372 OD2 ASP A 61 -28.497 15.987 7.600 1.00 23.42 O ATOM 373 H ASP A 61 -25.886 14.606 11.077 1.00 0.00 H ATOM 374 N GLY A 62 -28.931 13.793 10.072 1.00 18.14 N ATOM 375 CA GLY A 62 -30.182 12.933 9.874 1.00 25.05 C ATOM 376 C GLY A 62 -30.873 12.944 8.542 1.00 23.78 C ATOM 377 O GLY A 62 -31.821 12.212 8.377 1.00 25.28 O ATOM 378 H GLY A 62 -27.996 13.352 9.960 1.00 0.00 H ATOM 379 N THR A 63 -30.376 13.637 7.534 1.00 22.04 N ATOM 380 CA THR A 63 -31.104 13.786 6.279 1.00 23.62 C ATOM 381 C THR A 63 -30.890 12.520 5.457 1.00 24.31 C ATOM 382 O THR A 63 -31.840 12.062 4.855 1.00 26.05 O ATOM 383 CB THR A 63 -30.610 15.008 5.532 1.00 26.52 C ATOM 384 OG1 THR A 63 -30.943 16.211 6.314 1.00 23.53 O ATOM 385 CG2 THR A 63 -31.160 15.028 4.133 1.00 26.02 C ATOM 386 HG1 THR A 63 -30.504 16.159 7.200 1.00 0.00 H ATOM 387 H THR A 63 -29.444 14.087 7.637 1.00 0.00 H ATOM 388 N VAL A 64 -29.686 12.045 5.441 1.00 24.86 N ATOM 389 CA VAL A 64 -29.330 10.867 4.571 1.00 24.46 C ATOM 390 C VAL A 64 -29.260 9.603 5.360 1.00 20.60 C ATOM 391 O VAL A 64 -29.134 9.561 6.516 1.00 24.97 O ATOM 392 CB VAL A 64 -28.115 11.091 3.642 1.00 28.42 C ATOM 393 CG1 VAL A 64 -28.337 12.328 2.795 1.00 33.90 C ATOM 394 CG2 VAL A 64 -26.804 11.125 4.365 1.00 34.75 C ATOM 395 H VAL A 64 -28.954 12.482 6.037 1.00 0.00 H ATOM 396 N ALA A 65 -29.395 8.469 4.661 1.00 21.80 N ATOM 397 CA ALA A 65 -29.542 7.182 5.318 1.00 22.33 C ATOM 398 C ALA A 65 -29.119 6.133 4.308 1.00 18.21 C ATOM 399 O ALA A 65 -29.097 6.379 3.126 1.00 17.30 O ATOM 400 CB ALA A 65 -31.028 6.954 5.731 1.00 24.40 C ATOM 401 H ALA A 65 -29.395 8.511 3.622 1.00 0.00 H ATOM 402 N ALA A 66 -28.725 4.929 4.837 1.00 18.12 N ATOM 403 CA ALA A 66 -28.510 3.769 4.046 1.00 21.93 C ATOM 404 C ALA A 66 -29.554 3.602 2.964 1.00 21.58 C ATOM 405 O ALA A 66 -30.813 3.717 3.203 1.00 24.31 O ATOM 406 CB ALA A 66 -28.364 2.531 5.001 1.00 22.56 C ATOM 407 H ALA A 66 -28.577 4.863 5.864 1.00 0.00 H ATOM 408 N GLY A 67 -29.133 3.359 1.782 1.00 18.09 N ATOM 409 CA GLY A 67 -29.898 3.071 0.649 1.00 19.46 C ATOM 410 C GLY A 67 -30.309 4.300 -0.159 1.00 18.29 C ATOM 411 O GLY A 67 -30.745 4.131 -1.302 1.00 23.57 O ATOM 412 H GLY A 67 -28.102 3.378 1.648 1.00 0.00 H ATOM 413 N ASP A 68 -29.927 5.500 0.316 1.00 17.96 N ATOM 414 CA ASP A 68 -30.275 6.709 -0.570 1.00 20.09 C ATOM 415 C ASP A 68 -29.204 6.718 -1.723 1.00 19.70 C ATOM 416 O ASP A 68 -28.017 6.332 -1.532 1.00 18.50 O ATOM 417 CB ASP A 68 -30.073 8.023 0.199 1.00 21.11 C ATOM 418 CG ASP A 68 -31.105 8.250 1.272 1.00 23.12 C ATOM 419 OD1 ASP A 68 -32.224 7.616 1.164 1.00 24.84 O ATOM 420 OD2 ASP A 68 -30.925 9.094 2.145 1.00 27.55 O ATOM 421 H ASP A 68 -29.429 5.603 1.223 1.00 0.00 H ATOM 422 N GLU A 69 -29.622 7.137 -2.902 1.00 18.68 N ATOM 423 CA GLU A 69 -28.743 7.206 -4.124 1.00 20.94 C ATOM 424 C GLU A 69 -27.953 8.551 -4.185 1.00 20.17 C ATOM 425 O GLU A 69 -28.522 9.527 -3.916 1.00 24.24 O ATOM 426 CB GLU A 69 -29.607 7.106 -5.387 1.00 24.27 C ATOM 427 CG GLU A 69 -28.772 6.848 -6.559 1.00 25.75 C ATOM 428 CD GLU A 69 -29.554 7.073 -7.906 1.00 22.88 C ATOM 429 OE1 GLU A 69 -30.790 7.306 -7.857 1.00 31.24 O ATOM 430 OE2 GLU A 69 -28.871 7.167 -8.826 1.00 30.84 O ATOM 431 H GLU A 69 -30.614 7.436 -2.993 1.00 0.00 H ATOM 432 N ILE A 70 -26.606 8.486 -4.333 1.00 18.16 N ATOM 433 CA ILE A 70 -25.737 9.652 -4.510 1.00 18.06 C ATOM 434 C ILE A 70 -25.769 10.021 -5.925 1.00 20.28 C ATOM 435 O ILE A 70 -25.525 9.160 -6.826 1.00 20.39 O ATOM 436 CB ILE A 70 -24.351 9.425 -3.973 1.00 18.38 C ATOM 437 CG1 ILE A 70 -24.305 9.305 -2.466 1.00 23.04 C ATOM 438 CG2 ILE A 70 -23.578 10.718 -4.266 1.00 17.50 C ATOM 439 CD1 ILE A 70 -22.954 8.846 -1.895 1.00 24.05 C ATOM 440 H ILE A 70 -26.161 7.546 -4.320 1.00 0.00 H ATOM 441 N THR A 71 -26.217 11.270 -6.236 1.00 21.37 N ATOM 442 CA THR A 71 -26.289 11.683 -7.651 1.00 25.77 C ATOM 443 C THR A 71 -25.271 12.796 -7.944 1.00 20.63 C ATOM 444 O THR A 71 -24.957 13.054 -9.148 1.00 22.56 O ATOM 445 CB THR A 71 -27.667 12.213 -8.038 1.00 22.35 C ATOM 446 OG1 THR A 71 -28.017 13.321 -7.170 1.00 24.81 O ATOM 447 CG2 THR A 71 -28.700 11.086 -7.976 1.00 29.35 C ATOM 448 HG1 THR A 71 -28.911 13.665 -7.420 1.00 0.00 H ATOM 449 H THR A 71 -26.506 11.926 -5.483 1.00 0.00 H ATOM 450 N GLY A 72 -24.833 13.504 -6.924 1.00 22.48 N ATOM 451 CA GLY A 72 -23.831 14.578 -7.204 1.00 21.31 C ATOM 452 C GLY A 72 -23.077 14.969 -5.960 1.00 19.86 C ATOM 453 O GLY A 72 -23.551 14.777 -4.822 1.00 19.11 O ATOM 454 H GLY A 72 -25.172 13.323 -5.958 1.00 0.00 H ATOM 455 N VAL A 73 -21.933 15.750 -6.206 1.00 17.82 N ATOM 456 CA VAL A 73 -21.170 16.315 -5.038 1.00 17.22 C ATOM 457 C VAL A 73 -20.776 17.807 -5.368 1.00 19.28 C ATOM 458 O VAL A 73 -20.215 18.038 -6.477 1.00 25.86 O ATOM 459 CB VAL A 73 -19.851 15.552 -4.841 1.00 21.30 C ATOM 460 CG1 VAL A 73 -19.167 16.226 -3.694 1.00 22.68 C ATOM 461 CG2 VAL A 73 -20.172 14.046 -4.651 1.00 23.55 C ATOM 462 H VAL A 73 -21.619 15.934 -7.180 1.00 0.00 H ATOM 463 N ASN A 74 -21.175 18.729 -4.513 1.00 23.13 N ATOM 464 CA ASN A 74 -20.898 20.175 -4.755 1.00 22.80 C ATOM 465 C ASN A 74 -21.241 20.635 -6.215 1.00 23.03 C ATOM 466 O ASN A 74 -20.465 21.297 -6.889 1.00 23.24 O ATOM 467 CB ASN A 74 -19.487 20.539 -4.379 1.00 26.31 C ATOM 468 CG ASN A 74 -19.325 21.062 -2.972 1.00 26.80 C ATOM 469 OD1 ASN A 74 -20.025 20.640 -2.026 1.00 22.29 O ATOM 470 ND2 ASN A 74 -18.249 21.841 -2.758 1.00 25.38 N ATOM 471 HD22 ASN A 74 -17.683 22.179 -3.563 1.00 0.00 H ATOM 472 HD21 ASN A 74 -17.983 22.105 -1.788 1.00 0.00 H ATOM 473 H ASN A 74 -21.691 18.443 -3.656 1.00 0.00 H ATOM 474 N GLY A 75 -22.437 20.307 -6.625 1.00 21.01 N ATOM 475 CA GLY A 75 -22.942 20.723 -7.900 1.00 23.08 C ATOM 476 C GLY A 75 -22.409 20.066 -9.109 1.00 18.92 C ATOM 477 O GLY A 75 -22.657 20.509 -10.254 1.00 21.81 O ATOM 478 H GLY A 75 -23.041 19.727 -6.008 1.00 0.00 H ATOM 479 N ARG A 76 -21.730 18.919 -8.937 1.00 20.00 N ATOM 480 CA ARG A 76 -21.183 18.146 -10.080 1.00 20.00 C ATOM 481 C ARG A 76 -21.723 16.684 -10.053 1.00 24.57 C ATOM 482 O ARG A 76 -21.706 16.101 -8.985 1.00 19.91 O ATOM 483 CB ARG A 76 -19.635 18.198 -10.013 1.00 26.94 C ATOM 484 CG ARG A 76 -19.060 19.555 -10.210 1.00 29.36 C ATOM 485 CD ARG A 76 -17.522 19.475 -10.121 1.00 30.94 C ATOM 486 NE ARG A 76 -16.848 20.695 -10.573 1.00 36.84 N ATOM 487 CZ ARG A 76 -15.519 20.764 -10.807 1.00 49.28 C ATOM 488 NH1 ARG A 76 -14.924 21.901 -11.207 1.00 42.46 N ATOM 489 NH2 ARG A 76 -14.761 19.695 -10.600 1.00 50.60 N ATOM 490 HE ARG A 76 -17.421 21.550 -10.721 1.00 0.00 H ATOM 491 HH12 ARG A 76 -13.898 21.919 -11.378 1.00 0.00 H ATOM 492 HH11 ARG A 76 -15.489 22.763 -11.345 1.00 0.00 H ATOM 493 HH22 ARG A 76 -13.737 19.741 -10.778 1.00 0.00 H ATOM 494 HH21 ARG A 76 -15.190 18.811 -10.260 1.00 0.00 H ATOM 495 H ARG A 76 -21.583 18.561 -7.972 1.00 0.00 H ATOM 496 N SER A 77 -22.114 16.171 -11.193 1.00 21.49 N ATOM 497 CA SER A 77 -22.580 14.790 -11.286 1.00 20.13 C ATOM 498 C SER A 77 -21.493 13.739 -10.910 1.00 17.87 C ATOM 499 O SER A 77 -20.265 14.007 -11.101 1.00 24.00 O ATOM 500 CB SER A 77 -23.031 14.510 -12.664 1.00 19.12 C ATOM 501 OG SER A 77 -23.524 13.131 -12.804 1.00 25.53 O ATOM 502 HG SER A 77 -24.288 12.991 -12.190 1.00 0.00 H ATOM 503 H SER A 77 -22.092 16.760 -12.050 1.00 0.00 H ATOM 504 N ILE A 78 -21.952 12.616 -10.270 1.00 22.39 N ATOM 505 CA ILE A 78 -21.120 11.438 -10.096 1.00 24.01 C ATOM 506 C ILE A 78 -21.331 10.368 -11.205 1.00 24.83 C ATOM 507 O ILE A 78 -20.789 9.288 -11.110 1.00 22.93 O ATOM 508 CB ILE A 78 -21.268 10.812 -8.715 1.00 20.48 C ATOM 509 CG1 ILE A 78 -22.732 10.496 -8.405 1.00 22.44 C ATOM 510 CG2 ILE A 78 -20.715 11.758 -7.697 1.00 27.52 C ATOM 511 CD1 ILE A 78 -23.544 9.806 -9.367 1.00 25.59 C ATOM 512 H ILE A 78 -22.923 12.608 -9.899 1.00 0.00 H ATOM 513 N LYS A 79 -22.015 10.732 -12.303 1.00 30.34 N ATOM 514 CA LYS A 79 -22.260 9.745 -13.392 1.00 29.13 C ATOM 515 C LYS A 79 -20.980 9.224 -13.969 1.00 29.50 C ATOM 516 O LYS A 79 -20.087 9.956 -14.363 1.00 28.63 O ATOM 517 CB LYS A 79 -23.123 10.265 -14.477 1.00 33.45 C ATOM 518 CG LYS A 79 -23.130 9.388 -15.738 1.00 35.49 C ATOM 519 CD LYS A 79 -24.121 9.955 -16.762 1.00 38.19 C ATOM 520 CE LYS A 79 -24.745 8.856 -17.601 1.00 37.38 C ATOM 521 NZ LYS A 79 -26.018 9.382 -18.180 1.00 49.05 N ATOM 522 HZ1 LYS A 79 -26.661 9.655 -17.410 1.00 0.00 H ATOM 523 HZ2 LYS A 79 -25.811 10.212 -18.771 1.00 0.00 H ATOM 524 HZ3 LYS A 79 -26.464 8.644 -18.761 1.00 0.00 H ATOM 525 H LYS A 79 -22.374 11.704 -12.393 1.00 0.00 H ATOM 526 N GLY A 80 -21.008 7.917 -14.091 1.00 30.95 N ATOM 527 CA GLY A 80 -19.866 7.208 -14.604 1.00 30.82 C ATOM 528 C GLY A 80 -18.701 6.981 -13.701 1.00 35.19 C ATOM 529 O GLY A 80 -17.758 6.263 -14.118 1.00 36.88 O ATOM 530 H GLY A 80 -21.861 7.391 -13.815 1.00 0.00 H ATOM 531 N LYS A 81 -18.729 7.551 -12.492 1.00 27.27 N ATOM 532 CA LYS A 81 -17.574 7.497 -11.674 1.00 31.77 C ATOM 533 C LYS A 81 -17.510 6.212 -10.801 1.00 25.71 C ATOM 534 O LYS A 81 -18.532 5.606 -10.522 1.00 27.50 O ATOM 535 CB LYS A 81 -17.483 8.783 -10.790 1.00 32.90 C ATOM 536 CG LYS A 81 -16.790 9.963 -11.508 1.00 38.19 C ATOM 537 CD LYS A 81 -17.567 11.228 -11.686 1.00 45.01 C ATOM 538 CE LYS A 81 -16.655 12.464 -11.551 1.00 51.95 C ATOM 539 NZ LYS A 81 -16.241 12.850 -12.925 1.00 53.13 N ATOM 540 HZ1 LYS A 81 -15.728 12.060 -13.366 1.00 0.00 H ATOM 541 HZ2 LYS A 81 -17.085 13.075 -13.490 1.00 0.00 H ATOM 542 HZ3 LYS A 81 -15.622 13.684 -12.878 1.00 0.00 H ATOM 543 H LYS A 81 -19.589 8.029 -12.156 1.00 0.00 H ATOM 544 N THR A 82 -16.316 5.756 -10.458 1.00 23.82 N ATOM 545 CA THR A 82 -16.214 4.638 -9.463 1.00 28.93 C ATOM 546 C THR A 82 -16.258 5.075 -8.035 1.00 25.01 C ATOM 547 O THR A 82 -16.237 6.316 -7.750 1.00 29.30 O ATOM 548 CB THR A 82 -14.947 3.832 -9.649 1.00 27.64 C ATOM 549 OG1 THR A 82 -13.845 4.606 -9.162 1.00 27.39 O ATOM 550 CG2 THR A 82 -14.820 3.441 -11.143 1.00 27.40 C ATOM 551 HG1 THR A 82 -13.006 4.092 -9.276 1.00 0.00 H ATOM 552 H THR A 82 -15.457 6.169 -10.874 1.00 0.00 H ATOM 553 N LYS A 83 -16.449 4.127 -7.097 1.00 24.13 N ATOM 554 CA LYS A 83 -16.571 4.477 -5.687 1.00 27.42 C ATOM 555 C LYS A 83 -15.335 5.214 -5.211 1.00 30.09 C ATOM 556 O LYS A 83 -15.469 6.143 -4.524 1.00 31.94 O ATOM 557 CB LYS A 83 -16.710 3.271 -4.808 1.00 29.45 C ATOM 558 CG LYS A 83 -18.037 2.608 -4.842 1.00 35.40 C ATOM 559 CD LYS A 83 -18.068 1.392 -3.949 1.00 43.29 C ATOM 560 CE LYS A 83 -16.810 0.539 -3.798 1.00 51.09 C ATOM 561 NZ LYS A 83 -17.193 -0.792 -3.184 1.00 48.28 N ATOM 562 HZ1 LYS A 83 -17.624 -0.631 -2.251 1.00 0.00 H ATOM 563 HZ2 LYS A 83 -17.875 -1.275 -3.804 1.00 0.00 H ATOM 564 HZ3 LYS A 83 -16.342 -1.381 -3.077 1.00 0.00 H ATOM 565 H LYS A 83 -16.510 3.129 -7.383 1.00 0.00 H ATOM 566 N VAL A 84 -14.127 4.832 -5.702 1.00 24.86 N ATOM 567 CA VAL A 84 -12.833 5.402 -5.181 1.00 27.86 C ATOM 568 C VAL A 84 -12.933 6.842 -5.680 1.00 24.61 C ATOM 569 O VAL A 84 -12.685 7.772 -4.965 1.00 32.34 O ATOM 570 CB VAL A 84 -11.627 4.619 -5.812 1.00 36.63 C ATOM 571 CG1 VAL A 84 -10.335 5.418 -5.822 1.00 35.95 C ATOM 572 CG2 VAL A 84 -11.435 3.398 -4.937 1.00 40.32 C ATOM 573 H VAL A 84 -14.094 4.123 -6.462 1.00 0.00 H ATOM 574 N GLU A 85 -13.344 7.029 -6.899 1.00 25.44 N ATOM 575 CA GLU A 85 -13.420 8.335 -7.544 1.00 27.61 C ATOM 576 C GLU A 85 -14.300 9.288 -6.765 1.00 24.79 C ATOM 577 O GLU A 85 -13.913 10.435 -6.541 1.00 27.22 O ATOM 578 CB GLU A 85 -13.798 8.191 -9.050 1.00 34.64 C ATOM 579 CG GLU A 85 -12.602 7.742 -9.993 1.00 33.45 C ATOM 580 CD GLU A 85 -13.054 7.491 -11.455 1.00 39.92 C ATOM 581 OE1 GLU A 85 -14.222 7.745 -11.846 1.00 34.42 O ATOM 582 OE2 GLU A 85 -12.267 7.013 -12.294 1.00 43.55 O ATOM 583 H GLU A 85 -13.637 6.196 -7.448 1.00 0.00 H ATOM 584 N VAL A 86 -15.520 8.814 -6.406 1.00 25.73 N ATOM 585 CA VAL A 86 -16.498 9.644 -5.710 1.00 24.43 C ATOM 586 C VAL A 86 -15.887 9.904 -4.282 1.00 21.88 C ATOM 587 O VAL A 86 -15.952 10.986 -3.777 1.00 24.47 O ATOM 588 CB VAL A 86 -17.898 8.955 -5.636 1.00 26.01 C ATOM 589 CG1 VAL A 86 -18.960 9.656 -4.784 1.00 28.02 C ATOM 590 CG2 VAL A 86 -18.424 8.602 -7.056 1.00 27.65 C ATOM 591 H VAL A 86 -15.765 7.829 -6.634 1.00 0.00 H ATOM 592 N ALA A 87 -15.294 8.870 -3.576 1.00 21.83 N ATOM 593 CA ALA A 87 -14.684 9.101 -2.279 1.00 23.59 C ATOM 594 C ALA A 87 -13.654 10.206 -2.326 1.00 24.42 C ATOM 595 O ALA A 87 -13.761 11.092 -1.519 1.00 27.95 O ATOM 596 CB ALA A 87 -14.065 7.820 -1.701 1.00 25.63 C ATOM 597 H ALA A 87 -15.286 7.912 -3.982 1.00 0.00 H ATOM 598 N LYS A 88 -12.884 10.259 -3.401 1.00 24.96 N ATOM 599 CA LYS A 88 -11.944 11.354 -3.577 1.00 31.13 C ATOM 600 C LYS A 88 -12.602 12.667 -3.846 1.00 25.42 C ATOM 601 O LYS A 88 -12.161 13.672 -3.277 1.00 29.52 O ATOM 602 CB LYS A 88 -10.977 11.139 -4.751 1.00 34.28 C ATOM 603 CG LYS A 88 -9.752 10.206 -4.450 1.00 36.65 C ATOM 604 CD LYS A 88 -8.393 10.916 -4.272 1.00 50.70 C ATOM 605 CE LYS A 88 -7.919 11.742 -5.482 1.00 56.56 C ATOM 606 NZ LYS A 88 -7.609 13.167 -5.061 1.00 51.06 N ATOM 607 HZ1 LYS A 88 -8.466 13.605 -4.666 1.00 0.00 H ATOM 608 HZ2 LYS A 88 -6.859 13.159 -4.341 1.00 0.00 H ATOM 609 HZ3 LYS A 88 -7.291 13.710 -5.889 1.00 0.00 H ATOM 610 H LYS A 88 -12.952 9.514 -4.123 1.00 0.00 H ATOM 611 N MET A 89 -13.678 12.697 -4.613 1.00 30.05 N ATOM 612 CA MET A 89 -14.438 13.917 -4.903 1.00 29.26 C ATOM 613 C MET A 89 -14.912 14.552 -3.562 1.00 27.80 C ATOM 614 O MET A 89 -14.964 15.777 -3.454 1.00 24.46 O ATOM 615 CB MET A 89 -15.633 13.572 -5.816 1.00 32.95 C ATOM 616 CG MET A 89 -16.317 14.729 -6.511 1.00 36.61 C ATOM 617 SD MET A 89 -17.406 14.036 -7.742 1.00 37.59 S ATOM 618 CE MET A 89 -18.075 15.543 -8.458 1.00 27.70 C ATOM 619 H MET A 89 -14.004 11.804 -5.035 1.00 0.00 H ATOM 620 N ILE A 90 -15.245 13.740 -2.582 1.00 24.75 N ATOM 621 CA ILE A 90 -15.779 14.179 -1.308 1.00 24.05 C ATOM 622 C ILE A 90 -14.583 14.624 -0.444 1.00 26.89 C ATOM 623 O ILE A 90 -14.665 15.605 0.230 1.00 24.91 O ATOM 624 CB ILE A 90 -16.648 13.061 -0.604 1.00 22.87 C ATOM 625 CG1 ILE A 90 -17.881 12.883 -1.473 1.00 23.74 C ATOM 626 CG2 ILE A 90 -17.073 13.477 0.715 1.00 23.86 C ATOM 627 CD1 ILE A 90 -18.782 11.688 -1.241 1.00 22.92 C ATOM 628 H ILE A 90 -15.117 12.719 -2.731 1.00 0.00 H ATOM 629 N GLN A 91 -13.520 13.866 -0.498 1.00 25.96 N ATOM 630 CA GLN A 91 -12.387 14.037 0.468 1.00 25.91 C ATOM 631 C GLN A 91 -11.613 15.356 0.134 1.00 27.43 C ATOM 632 O GLN A 91 -11.248 16.039 1.052 1.00 29.70 O ATOM 633 CB GLN A 91 -11.422 12.888 0.351 1.00 27.97 C ATOM 634 CG GLN A 91 -11.844 11.676 1.212 1.00 35.03 C ATOM 635 CD GLN A 91 -11.176 10.364 0.813 1.00 41.11 C ATOM 636 OE1 GLN A 91 -10.006 10.349 0.279 1.00 49.33 O ATOM 637 NE2 GLN A 91 -11.898 9.194 1.105 1.00 32.62 N ATOM 638 HE22 GLN A 91 -12.842 9.260 1.537 1.00 0.00 H ATOM 639 HE21 GLN A 91 -11.489 8.263 0.889 1.00 0.00 H ATOM 640 H GLN A 91 -13.459 13.127 -1.228 1.00 0.00 H ATOM 641 N GLU A 92 -11.573 15.670 -1.190 1.00 28.00 N ATOM 642 CA GLU A 92 -10.959 16.939 -1.777 1.00 30.65 C ATOM 643 C GLU A 92 -11.623 18.208 -1.243 1.00 35.35 C ATOM 644 O GLU A 92 -11.038 19.241 -1.126 1.00 31.23 O ATOM 645 CB GLU A 92 -11.025 16.983 -3.317 1.00 35.75 C ATOM 646 CG GLU A 92 -10.179 15.931 -4.092 1.00 49.42 C ATOM 647 CD GLU A 92 -8.991 16.447 -4.952 1.00 60.33 C ATOM 648 OE1 GLU A 92 -9.149 17.338 -5.831 1.00 57.49 O ATOM 649 OE2 GLU A 92 -7.851 15.908 -4.801 1.00 67.26 O ATOM 650 H GLU A 92 -11.995 14.991 -1.855 1.00 0.00 H ATOM 651 N VAL A 93 -12.907 18.097 -0.974 1.00 28.16 N ATOM 652 CA VAL A 93 -13.677 19.199 -0.568 1.00 27.06 C ATOM 653 C VAL A 93 -13.643 19.417 0.912 1.00 27.14 C ATOM 654 O VAL A 93 -14.261 18.672 1.734 1.00 22.79 O ATOM 655 CB VAL A 93 -15.165 18.995 -1.057 1.00 28.73 C ATOM 656 CG1 VAL A 93 -16.014 20.200 -0.595 1.00 23.69 C ATOM 657 CG2 VAL A 93 -15.253 18.732 -2.556 1.00 34.05 C ATOM 658 H VAL A 93 -13.364 17.167 -1.065 1.00 0.00 H ATOM 659 N LYS A 94 -12.878 20.440 1.340 1.00 28.72 N ATOM 660 CA LYS A 94 -12.766 20.712 2.780 1.00 24.98 C ATOM 661 C LYS A 94 -13.862 21.611 3.387 1.00 22.26 C ATOM 662 O LYS A 94 -14.613 22.394 2.689 1.00 26.71 O ATOM 663 CB LYS A 94 -11.428 21.378 3.059 1.00 24.84 C ATOM 664 CG LYS A 94 -10.244 20.809 2.277 1.00 30.59 C ATOM 665 CD LYS A 94 -9.994 19.350 2.642 1.00 32.62 C ATOM 666 CE LYS A 94 -8.551 18.992 2.297 1.00 35.41 C ATOM 667 NZ LYS A 94 -8.407 17.536 1.970 1.00 32.13 N ATOM 668 HZ1 LYS A 94 -8.700 16.967 2.790 1.00 0.00 H ATOM 669 HZ2 LYS A 94 -9.008 17.304 1.153 1.00 0.00 H ATOM 670 HZ3 LYS A 94 -7.414 17.330 1.741 1.00 0.00 H ATOM 671 H LYS A 94 -12.369 21.034 0.655 1.00 0.00 H ATOM 672 N GLY A 95 -13.917 21.573 4.698 1.00 22.84 N ATOM 673 CA GLY A 95 -14.851 22.338 5.478 1.00 21.80 C ATOM 674 C GLY A 95 -16.296 21.794 5.525 1.00 21.06 C ATOM 675 O GLY A 95 -16.841 21.540 6.609 1.00 22.83 O ATOM 676 H GLY A 95 -13.248 20.955 5.200 1.00 0.00 H ATOM 677 N GLU A 96 -16.940 21.867 4.377 1.00 22.74 N ATOM 678 CA GLU A 96 -18.330 21.400 4.216 1.00 20.77 C ATOM 679 C GLU A 96 -18.483 20.901 2.828 1.00 23.49 C ATOM 680 O GLU A 96 -17.681 21.302 1.933 1.00 28.05 O ATOM 681 CB GLU A 96 -19.302 22.498 4.530 1.00 23.06 C ATOM 682 CG GLU A 96 -19.234 23.623 3.548 1.00 21.20 C ATOM 683 CD GLU A 96 -20.214 24.759 3.779 1.00 22.94 C ATOM 684 OE1 GLU A 96 -20.856 24.887 4.883 1.00 28.59 O ATOM 685 OE2 GLU A 96 -20.452 25.524 2.795 1.00 32.26 O ATOM 686 H GLU A 96 -16.449 22.269 3.553 1.00 0.00 H ATOM 687 N VAL A 97 -19.460 19.996 2.599 1.00 21.79 N ATOM 688 CA VAL A 97 -19.687 19.427 1.238 1.00 21.62 C ATOM 689 C VAL A 97 -21.161 19.201 1.083 1.00 22.03 C ATOM 690 O VAL A 97 -21.797 18.875 2.026 1.00 22.69 O ATOM 691 CB VAL A 97 -18.900 18.071 1.068 1.00 19.56 C ATOM 692 CG1 VAL A 97 -19.256 16.995 2.077 1.00 21.75 C ATOM 693 CG2 VAL A 97 -18.858 17.495 -0.311 1.00 22.09 C ATOM 694 H VAL A 97 -20.066 19.690 3.387 1.00 0.00 H ATOM 695 N THR A 98 -21.670 19.514 -0.120 1.00 22.06 N ATOM 696 CA THR A 98 -23.105 19.265 -0.399 1.00 18.85 C ATOM 697 C THR A 98 -23.184 17.962 -1.136 1.00 17.92 C ATOM 698 O THR A 98 -22.558 17.777 -2.217 1.00 18.48 O ATOM 699 CB THR A 98 -23.586 20.478 -1.191 1.00 25.87 C ATOM 700 OG1 THR A 98 -23.333 21.676 -0.434 1.00 26.71 O ATOM 701 CG2 THR A 98 -25.075 20.293 -1.606 1.00 28.94 C ATOM 702 HG1 THR A 98 -22.361 21.757 -0.262 1.00 0.00 H ATOM 703 H THR A 98 -21.060 19.929 -0.853 1.00 0.00 H ATOM 704 N ILE A 99 -24.148 17.135 -0.780 1.00 18.52 N ATOM 705 CA ILE A 99 -24.303 15.787 -1.344 1.00 18.64 C ATOM 706 C ILE A 99 -25.695 15.902 -1.936 1.00 17.61 C ATOM 707 O ILE A 99 -26.691 16.307 -1.215 1.00 19.69 O ATOM 708 CB ILE A 99 -24.285 14.662 -0.247 1.00 20.96 C ATOM 709 CG1 ILE A 99 -23.005 14.672 0.533 1.00 19.79 C ATOM 710 CG2 ILE A 99 -24.607 13.292 -0.900 1.00 19.53 C ATOM 711 CD1 ILE A 99 -21.783 14.395 -0.390 1.00 23.56 C ATOM 712 H ILE A 99 -24.832 17.453 -0.064 1.00 0.00 H ATOM 713 N HIS A 100 -25.748 15.544 -3.191 1.00 17.14 N ATOM 714 CA HIS A 100 -26.988 15.544 -3.925 1.00 18.81 C ATOM 715 C HIS A 100 -27.454 14.114 -4.002 1.00 20.74 C ATOM 716 O HIS A 100 -26.644 13.204 -4.197 1.00 18.50 O ATOM 717 CB HIS A 100 -26.859 16.078 -5.262 1.00 19.87 C ATOM 718 CG HIS A 100 -26.271 17.495 -5.325 1.00 22.57 C ATOM 719 ND1 HIS A 100 -27.022 18.560 -5.786 1.00 24.01 N ATOM 720 CD2 HIS A 100 -25.063 17.979 -4.997 1.00 25.27 C ATOM 721 CE1 HIS A 100 -26.267 19.677 -5.759 1.00 24.27 C ATOM 722 NE2 HIS A 100 -25.089 19.361 -5.273 1.00 24.30 N ATOM 723 H HIS A 100 -24.874 15.252 -3.672 1.00 0.00 H ATOM 724 N TYR A 101 -28.721 13.881 -3.684 1.00 17.93 N ATOM 725 CA TYR A 101 -29.211 12.473 -3.505 1.00 19.23 C ATOM 726 C TYR A 101 -30.627 12.349 -3.980 1.00 21.15 C ATOM 727 O TYR A 101 -31.292 13.345 -4.241 1.00 25.22 O ATOM 728 CB TYR A 101 -29.164 12.044 -2.034 1.00 22.44 C ATOM 729 CG TYR A 101 -29.971 12.888 -1.054 1.00 24.66 C ATOM 730 CD1 TYR A 101 -31.376 12.732 -0.995 1.00 28.46 C ATOM 731 CD2 TYR A 101 -29.461 13.995 -0.512 1.00 21.14 C ATOM 732 CE1 TYR A 101 -32.160 13.607 -0.239 1.00 24.18 C ATOM 733 CE2 TYR A 101 -30.190 14.829 0.264 1.00 19.77 C ATOM 734 CZ TYR A 101 -31.571 14.652 0.417 1.00 25.24 C ATOM 735 OH TYR A 101 -32.371 15.485 1.145 1.00 28.55 O ATOM 736 HH TYR A 101 -33.305 15.159 1.108 1.00 0.00 H ATOM 737 H TYR A 101 -29.378 14.677 -3.558 1.00 0.00 H ATOM 738 N ASN A 102 -31.006 11.067 -4.153 1.00 23.73 N ATOM 739 CA ASN A 102 -32.432 10.621 -4.235 1.00 25.27 C ATOM 740 C ASN A 102 -32.734 9.732 -3.028 1.00 25.03 C ATOM 741 O ASN A 102 -32.079 8.719 -2.832 1.00 25.96 O ATOM 742 CB ASN A 102 -32.634 9.841 -5.493 1.00 23.46 C ATOM 743 CG ASN A 102 -32.395 10.594 -6.814 1.00 25.13 C ATOM 744 OD1 ASN A 102 -32.675 11.841 -6.899 1.00 29.69 O ATOM 745 ND2 ASN A 102 -31.835 9.896 -7.854 1.00 26.27 N ATOM 746 HD22 ASN A 102 -31.622 8.884 -7.746 1.00 0.00 H ATOM 747 HD21 ASN A 102 -31.623 10.379 -8.750 1.00 0.00 H ATOM 748 H ASN A 102 -30.263 10.344 -4.234 1.00 0.00 H ATOM 749 N LYS A 103 -33.818 10.058 -2.343 1.00 24.75 N ATOM 750 CA LYS A 103 -34.244 9.340 -1.093 1.00 25.83 C ATOM 751 C LYS A 103 -34.862 8.033 -1.564 1.00 39.98 C ATOM 752 O LYS A 103 -35.811 8.056 -2.388 1.00 33.26 O ATOM 753 CB LYS A 103 -35.317 10.163 -0.366 1.00 35.30 C ATOM 754 CG LYS A 103 -34.746 11.111 0.710 1.00 36.64 C ATOM 755 CD LYS A 103 -34.639 10.337 1.977 1.00 37.44 C ATOM 756 CE LYS A 103 -33.585 10.712 2.905 1.00 36.58 C ATOM 757 NZ LYS A 103 -33.244 9.675 3.891 1.00 29.69 N ATOM 758 HZ1 LYS A 103 -34.084 9.451 4.461 1.00 0.00 H ATOM 759 HZ2 LYS A 103 -32.921 8.820 3.395 1.00 0.00 H ATOM 760 HZ3 LYS A 103 -32.486 10.024 4.511 1.00 0.00 H ATOM 761 H LYS A 103 -34.402 10.847 -2.685 1.00 0.00 H ATOM 762 N LEU A 104 -34.388 6.945 -0.984 1.00 34.98 N ATOM 763 CA LEU A 104 -34.975 5.590 -1.048 1.00 37.06 C ATOM 764 C LEU A 104 -36.492 5.622 -0.746 1.00 39.25 C ATOM 765 O LEU A 104 -36.843 6.185 0.259 1.00 41.60 O ATOM 766 CB LEU A 104 -34.201 4.702 -0.034 1.00 36.32 C ATOM 767 CG LEU A 104 -34.641 3.215 0.092 1.00 45.69 C ATOM 768 CD1 LEU A 104 -34.584 2.445 -1.235 1.00 38.10 C ATOM 769 CD2 LEU A 104 -33.795 2.498 1.127 1.00 40.72 C ATOM 770 H LEU A 104 -33.516 7.052 -0.428 1.00 0.00 H TER 771 LEU A 104 ATOM 772 N THR B 18 -15.410 -8.493 -7.070 1.00 76.88 N ATOM 773 CA THR B 18 -16.721 -9.196 -6.843 1.00 77.15 C ATOM 774 C THR B 18 -16.481 -10.589 -6.292 1.00 62.92 C ATOM 775 O THR B 18 -15.875 -11.425 -6.956 1.00 60.57 O ATOM 776 CB THR B 18 -17.568 -9.350 -8.141 1.00 75.37 C ATOM 777 OG1 THR B 18 -16.856 -10.145 -9.096 1.00 82.21 O ATOM 778 CG2 THR B 18 -17.909 -7.993 -8.773 1.00 75.12 C ATOM 779 HG1 THR B 18 -16.680 -11.040 -8.712 1.00 0.00 H ATOM 780 HN3 THR B 18 -14.841 -9.035 -7.751 1.00 0.00 H ATOM 781 HN2 THR B 18 -14.897 -8.419 -6.168 1.00 0.00 H ATOM 782 HN1 THR B 18 -15.590 -7.541 -7.447 1.00 0.00 H ATOM 783 N VAL B 19 -16.985 -10.839 -5.089 1.00 56.78 N ATOM 784 CA VAL B 19 -16.838 -12.131 -4.432 1.00 51.96 C ATOM 785 C VAL B 19 -18.226 -12.790 -4.243 1.00 47.21 C ATOM 786 O VAL B 19 -18.957 -12.465 -3.276 1.00 32.80 O ATOM 787 CB VAL B 19 -15.965 -12.030 -3.162 1.00 59.70 C ATOM 788 CG1 VAL B 19 -16.530 -11.039 -2.136 1.00 64.85 C ATOM 789 CG2 VAL B 19 -15.683 -13.412 -2.554 1.00 60.72 C ATOM 790 H VAL B 19 -17.504 -10.084 -4.597 1.00 0.00 H ATOM 791 N PRO B 20 -18.591 -13.668 -5.203 1.00 36.26 N ATOM 792 CA PRO B 20 -19.963 -14.253 -5.175 1.00 35.86 C ATOM 793 C PRO B 20 -20.068 -15.261 -4.035 1.00 34.60 C ATOM 794 O PRO B 20 -19.087 -15.883 -3.678 1.00 38.49 O ATOM 795 CB PRO B 20 -20.055 -14.991 -6.503 1.00 33.77 C ATOM 796 CG PRO B 20 -18.621 -15.378 -6.843 1.00 36.19 C ATOM 797 CD PRO B 20 -17.729 -14.379 -6.200 1.00 39.28 C ATOM 798 N GLY B 21 -21.280 -15.462 -3.503 1.00 25.84 N ATOM 799 CA GLY B 21 -21.553 -16.550 -2.548 1.00 23.74 C ATOM 800 C GLY B 21 -23.075 -16.802 -2.450 1.00 25.34 C ATOM 801 O GLY B 21 -23.882 -16.123 -3.161 1.00 22.34 O ATOM 802 H GLY B 21 -22.057 -14.827 -3.774 1.00 0.00 H ATOM 803 N LYS B 22 -23.452 -17.728 -1.582 1.00 22.21 N ATOM 804 CA LYS B 22 -24.906 -17.906 -1.262 1.00 22.42 C ATOM 805 C LYS B 22 -25.071 -18.368 0.166 1.00 20.70 C ATOM 806 O LYS B 22 -24.144 -19.029 0.797 1.00 25.46 O ATOM 807 CB LYS B 22 -25.580 -18.867 -2.190 1.00 23.70 C ATOM 808 CG LYS B 22 -25.147 -20.288 -2.037 1.00 23.73 C ATOM 809 CD LYS B 22 -25.597 -21.285 -3.207 1.00 30.32 C ATOM 810 CE LYS B 22 -24.713 -22.574 -3.154 1.00 29.45 C ATOM 811 NZ LYS B 22 -25.539 -23.556 -3.982 1.00 36.59 N ATOM 812 HZ1 LYS B 22 -26.472 -23.682 -3.540 1.00 0.00 H ATOM 813 HZ2 LYS B 22 -25.658 -23.181 -4.945 1.00 0.00 H ATOM 814 HZ3 LYS B 22 -25.048 -24.472 -4.023 1.00 0.00 H ATOM 815 H LYS B 22 -22.740 -18.331 -1.123 1.00 0.00 H ATOM 816 N VAL B 23 -26.258 -18.190 0.713 1.00 19.21 N ATOM 817 CA VAL B 23 -26.556 -18.500 2.062 1.00 18.65 C ATOM 818 C VAL B 23 -28.016 -18.853 2.146 1.00 21.19 C ATOM 819 O VAL B 23 -28.817 -18.216 1.545 1.00 21.89 O ATOM 820 CB VAL B 23 -26.287 -17.395 3.073 1.00 19.15 C ATOM 821 CG1 VAL B 23 -27.152 -16.170 2.794 1.00 19.63 C ATOM 822 CG2 VAL B 23 -26.437 -17.967 4.601 1.00 22.17 C ATOM 823 H VAL B 23 -27.018 -17.800 0.120 1.00 0.00 H ATOM 824 N THR B 24 -28.292 -19.981 2.809 1.00 21.00 N ATOM 825 CA THR B 24 -29.635 -20.425 3.061 1.00 24.39 C ATOM 826 C THR B 24 -30.053 -19.922 4.426 1.00 22.42 C ATOM 827 O THR B 24 -29.399 -20.238 5.514 1.00 23.63 O ATOM 828 CB THR B 24 -29.655 -21.996 2.925 1.00 24.08 C ATOM 829 OG1 THR B 24 -29.254 -22.411 1.615 1.00 25.65 O ATOM 830 CG2 THR B 24 -30.982 -22.488 3.253 1.00 24.87 C ATOM 831 HG1 THR B 24 -29.277 -23.399 1.562 1.00 0.00 H ATOM 832 H THR B 24 -27.502 -20.561 3.157 1.00 0.00 H ATOM 833 N LEU B 25 -31.126 -19.131 4.473 1.00 20.72 N ATOM 834 CA LEU B 25 -31.677 -18.619 5.696 1.00 21.97 C ATOM 835 C LEU B 25 -33.001 -19.200 6.136 1.00 24.43 C ATOM 836 O LEU B 25 -33.896 -19.400 5.238 1.00 21.79 O ATOM 837 CB LEU B 25 -31.744 -17.057 5.665 1.00 22.55 C ATOM 838 CG LEU B 25 -30.412 -16.325 5.541 1.00 22.62 C ATOM 839 CD1 LEU B 25 -30.673 -14.923 4.983 1.00 21.80 C ATOM 840 CD2 LEU B 25 -29.432 -16.254 6.674 1.00 22.79 C ATOM 841 H LEU B 25 -31.587 -18.872 3.578 1.00 0.00 H ATOM 842 N GLN B 26 -33.134 -19.522 7.419 1.00 27.48 N ATOM 843 CA GLN B 26 -34.394 -19.993 7.997 1.00 26.05 C ATOM 844 C GLN B 26 -35.382 -18.802 8.123 1.00 31.07 C ATOM 845 O GLN B 26 -35.084 -17.709 8.570 1.00 34.37 O ATOM 846 CB GLN B 26 -34.176 -20.814 9.346 1.00 25.03 C ATOM 847 CG GLN B 26 -33.281 -22.026 9.268 1.00 27.21 C ATOM 848 CD GLN B 26 -33.638 -22.914 8.124 1.00 29.42 C ATOM 849 OE1 GLN B 26 -32.859 -23.106 7.187 1.00 35.79 O ATOM 850 NE2 GLN B 26 -34.923 -23.298 8.077 1.00 25.28 N ATOM 851 HE22 GLN B 26 -35.549 -23.118 8.888 1.00 0.00 H ATOM 852 HE21 GLN B 26 -35.292 -23.775 7.230 1.00 0.00 H ATOM 853 H GLN B 26 -32.305 -19.435 8.041 1.00 0.00 H ATOM 854 N LYS B 27 -36.581 -18.969 7.581 1.00 22.97 N ATOM 855 CA LYS B 27 -37.697 -17.965 7.733 1.00 23.62 C ATOM 856 C LYS B 27 -38.218 -17.910 9.211 1.00 25.39 C ATOM 857 O LYS B 27 -38.262 -18.962 9.864 1.00 24.00 O ATOM 858 CB LYS B 27 -38.801 -18.275 6.813 1.00 29.18 C ATOM 859 CG LYS B 27 -38.323 -18.085 5.362 1.00 31.66 C ATOM 860 CD LYS B 27 -39.404 -17.409 4.534 1.00 42.35 C ATOM 861 CE LYS B 27 -38.872 -16.550 3.409 1.00 34.14 C ATOM 862 NZ LYS B 27 -40.050 -15.943 2.777 1.00 33.08 N ATOM 863 HZ1 LYS B 27 -40.674 -16.693 2.417 1.00 0.00 H ATOM 864 HZ2 LYS B 27 -40.562 -15.371 3.479 1.00 0.00 H ATOM 865 HZ3 LYS B 27 -39.745 -15.336 1.989 1.00 0.00 H ATOM 866 H LYS B 27 -36.760 -19.830 7.026 1.00 0.00 H ATOM 867 N ASP B 28 -38.468 -16.734 9.741 1.00 26.63 N ATOM 868 CA ASP B 28 -38.992 -16.615 11.081 1.00 27.56 C ATOM 869 C ASP B 28 -40.487 -16.997 11.091 1.00 25.53 C ATOM 870 O ASP B 28 -41.067 -17.256 10.013 1.00 24.38 O ATOM 871 CB ASP B 28 -38.670 -15.295 11.732 1.00 32.81 C ATOM 872 CG ASP B 28 -39.456 -14.117 11.118 1.00 32.80 C ATOM 873 OD1 ASP B 28 -40.373 -14.251 10.224 1.00 27.87 O ATOM 874 OD2 ASP B 28 -39.123 -12.940 11.532 1.00 45.18 O ATOM 875 H ASP B 28 -38.285 -15.874 9.186 1.00 0.00 H ATOM 876 N ALA B 29 -41.092 -16.967 12.283 1.00 30.25 N ATOM 877 CA ALA B 29 -42.497 -17.317 12.382 1.00 33.82 C ATOM 878 C ALA B 29 -43.391 -16.367 11.590 1.00 32.60 C ATOM 879 O ALA B 29 -44.512 -16.751 11.218 1.00 38.67 O ATOM 880 CB ALA B 29 -42.948 -17.309 13.861 1.00 34.30 C ATOM 881 H ALA B 29 -40.559 -16.695 13.134 1.00 0.00 H ATOM 882 N GLN B 30 -42.895 -15.178 11.201 1.00 29.49 N ATOM 883 CA GLN B 30 -43.590 -14.252 10.335 1.00 32.72 C ATOM 884 C GLN B 30 -43.232 -14.343 8.848 1.00 23.56 C ATOM 885 O GLN B 30 -43.669 -13.593 8.036 1.00 25.40 O ATOM 886 CB GLN B 30 -43.424 -12.836 10.851 1.00 37.71 C ATOM 887 CG GLN B 30 -44.044 -12.740 12.228 1.00 44.46 C ATOM 888 CD GLN B 30 -42.949 -12.781 13.256 1.00 41.46 C ATOM 889 OE1 GLN B 30 -42.090 -11.886 13.274 1.00 51.24 O ATOM 890 NE2 GLN B 30 -42.996 -13.742 14.149 1.00 48.88 N ATOM 891 HE22 GLN B 30 -43.736 -14.470 14.091 1.00 0.00 H ATOM 892 HE21 GLN B 30 -42.293 -13.775 14.915 1.00 0.00 H ATOM 893 H GLN B 30 -41.952 -14.908 11.545 1.00 0.00 H ATOM 894 N ASN B 31 -42.540 -15.419 8.461 1.00 22.35 N ATOM 895 CA ASN B 31 -42.170 -15.650 7.096 1.00 23.29 C ATOM 896 C ASN B 31 -41.264 -14.443 6.620 1.00 27.31 C ATOM 897 O ASN B 31 -41.313 -14.084 5.481 1.00 30.13 O ATOM 898 CB ASN B 31 -43.365 -15.762 6.137 1.00 23.10 C ATOM 899 CG ASN B 31 -43.002 -16.217 4.729 1.00 22.13 C ATOM 900 OD1 ASN B 31 -42.208 -17.134 4.571 1.00 29.24 O ATOM 901 ND2 ASN B 31 -43.582 -15.623 3.648 1.00 23.85 N ATOM 902 HD22 ASN B 31 -44.257 -14.843 3.783 1.00 0.00 H ATOM 903 HD21 ASN B 31 -43.350 -15.949 2.688 1.00 0.00 H ATOM 904 H ASN B 31 -42.259 -16.117 9.179 1.00 0.00 H ATOM 905 N LEU B 32 -40.345 -14.071 7.496 1.00 26.34 N ATOM 906 CA LEU B 32 -39.375 -13.032 7.140 1.00 23.67 C ATOM 907 C LEU B 32 -37.961 -13.587 7.399 1.00 20.66 C ATOM 908 O LEU B 32 -37.754 -14.401 8.308 1.00 28.62 O ATOM 909 CB LEU B 32 -39.671 -11.900 8.073 1.00 22.42 C ATOM 910 CG LEU B 32 -40.992 -11.205 7.718 1.00 27.41 C ATOM 911 CD1 LEU B 32 -41.083 -10.010 8.632 1.00 28.98 C ATOM 912 CD2 LEU B 32 -41.130 -10.746 6.269 1.00 31.20 C ATOM 913 H LEU B 32 -40.311 -14.515 8.436 1.00 0.00 H ATOM 914 N ILE B 33 -37.028 -13.060 6.637 1.00 21.14 N ATOM 915 CA ILE B 33 -35.565 -13.155 6.879 1.00 20.85 C ATOM 916 C ILE B 33 -34.853 -11.923 7.486 1.00 22.34 C ATOM 917 O ILE B 33 -33.750 -12.079 8.068 1.00 22.60 O ATOM 918 CB ILE B 33 -34.772 -13.565 5.594 1.00 20.02 C ATOM 919 CG1 ILE B 33 -34.863 -12.598 4.446 1.00 23.11 C ATOM 920 CG2 ILE B 33 -35.143 -15.003 5.185 1.00 21.37 C ATOM 921 CD1 ILE B 33 -33.656 -12.702 3.510 1.00 25.76 C ATOM 922 H ILE B 33 -37.340 -12.534 5.796 1.00 0.00 H ATOM 923 N GLY B 34 -35.513 -10.778 7.444 1.00 20.18 N ATOM 924 CA GLY B 34 -34.999 -9.578 8.086 1.00 22.09 C ATOM 925 C GLY B 34 -34.186 -8.653 7.253 1.00 19.88 C ATOM 926 O GLY B 34 -33.179 -8.098 7.803 1.00 21.79 O ATOM 927 H GLY B 34 -36.422 -10.734 6.940 1.00 0.00 H ATOM 928 N ILE B 35 -34.594 -8.435 6.041 1.00 21.36 N ATOM 929 CA ILE B 35 -33.880 -7.555 5.119 1.00 22.93 C ATOM 930 C ILE B 35 -34.757 -6.603 4.425 1.00 25.23 C ATOM 931 O ILE B 35 -35.875 -6.928 4.167 1.00 25.57 O ATOM 932 CB ILE B 35 -32.840 -8.227 4.122 1.00 22.09 C ATOM 933 CG1 ILE B 35 -33.556 -8.880 2.882 1.00 21.45 C ATOM 934 CG2 ILE B 35 -31.832 -9.030 4.897 1.00 18.94 C ATOM 935 CD1 ILE B 35 -32.576 -9.405 1.836 1.00 21.26 C ATOM 936 H ILE B 35 -35.462 -8.904 5.713 1.00 0.00 H ATOM 937 N SER B 36 -34.255 -5.402 4.182 1.00 24.28 N ATOM 938 CA SER B 36 -34.846 -4.508 3.124 1.00 22.03 C ATOM 939 C SER B 36 -33.840 -4.361 2.049 1.00 21.94 C ATOM 940 O SER B 36 -32.667 -4.722 2.187 1.00 18.86 O ATOM 941 CB SER B 36 -35.051 -3.099 3.660 1.00 20.12 C ATOM 942 OG SER B 36 -33.864 -2.451 4.058 1.00 25.00 O ATOM 943 HG SER B 36 -34.080 -1.545 4.393 1.00 0.00 H ATOM 944 H SER B 36 -33.437 -5.070 4.732 1.00 0.00 H ATOM 945 N ILE B 37 -34.326 -3.922 0.890 1.00 22.02 N ATOM 946 CA ILE B 37 -33.557 -3.974 -0.332 1.00 21.83 C ATOM 947 C ILE B 37 -33.767 -2.682 -1.147 1.00 21.39 C ATOM 948 O ILE B 37 -34.777 -1.968 -0.843 1.00 24.35 O ATOM 949 CB ILE B 37 -33.956 -5.172 -1.222 1.00 22.07 C ATOM 950 CG1 ILE B 37 -35.383 -5.146 -1.727 1.00 25.08 C ATOM 951 CG2 ILE B 37 -33.588 -6.498 -0.552 1.00 24.22 C ATOM 952 CD1 ILE B 37 -35.606 -6.130 -2.845 1.00 31.74 C ATOM 953 H ILE B 37 -35.289 -3.530 0.863 1.00 0.00 H ATOM 954 N GLY B 38 -32.909 -2.525 -2.143 1.00 22.05 N ATOM 955 CA GLY B 38 -32.752 -1.223 -2.885 1.00 22.04 C ATOM 956 C GLY B 38 -32.426 -1.527 -4.307 1.00 26.02 C ATOM 957 O GLY B 38 -31.934 -2.616 -4.618 1.00 28.31 O ATOM 958 H GLY B 38 -32.319 -3.334 -2.425 1.00 0.00 H ATOM 959 N GLY B 39 -32.700 -0.569 -5.208 1.00 25.34 N ATOM 960 CA GLY B 39 -32.215 -0.664 -6.598 1.00 24.90 C ATOM 961 C GLY B 39 -33.318 -1.227 -7.413 1.00 24.20 C ATOM 962 O GLY B 39 -34.441 -1.154 -6.988 1.00 25.15 O ATOM 963 H GLY B 39 -33.265 0.255 -4.920 1.00 0.00 H ATOM 964 N GLY B 40 -33.043 -1.896 -8.559 1.00 30.96 N ATOM 965 CA GLY B 40 -34.155 -2.653 -9.268 1.00 31.78 C ATOM 966 C GLY B 40 -34.989 -1.656 -10.035 1.00 38.23 C ATOM 967 O GLY B 40 -36.251 -1.767 -10.121 1.00 36.52 O ATOM 968 H GLY B 40 -32.079 -1.892 -8.950 1.00 0.00 H ATOM 969 N ALA B 41 -34.284 -0.666 -10.599 1.00 35.27 N ATOM 970 CA ALA B 41 -34.950 0.594 -11.094 1.00 45.22 C ATOM 971 C ALA B 41 -34.555 0.798 -12.545 1.00 41.07 C ATOM 972 O ALA B 41 -33.668 0.061 -13.048 1.00 36.11 O ATOM 973 CB ALA B 41 -34.552 1.823 -10.285 1.00 43.06 C ATOM 974 H ALA B 41 -33.254 -0.768 -10.698 1.00 0.00 H ATOM 975 N GLN B 42 -35.243 1.743 -13.217 1.00 48.21 N ATOM 976 CA GLN B 42 -35.218 1.869 -14.715 1.00 47.00 C ATOM 977 C GLN B 42 -33.788 2.000 -15.090 1.00 38.29 C ATOM 978 O GLN B 42 -33.304 1.203 -15.883 1.00 40.19 O ATOM 979 CB GLN B 42 -36.062 3.065 -15.260 1.00 50.05 C ATOM 980 H GLN B 42 -35.819 2.417 -12.673 1.00 0.00 H ATOM 981 N TYR B 43 -33.100 2.963 -14.466 1.00 39.19 N ATOM 982 CA TYR B 43 -31.733 3.256 -14.826 1.00 41.63 C ATOM 983 C TYR B 43 -30.682 2.724 -13.858 1.00 35.66 C ATOM 984 O TYR B 43 -29.471 2.849 -14.119 1.00 33.34 O ATOM 985 CB TYR B 43 -31.574 4.748 -15.049 1.00 59.34 C ATOM 986 CG TYR B 43 -32.229 5.200 -16.333 1.00 77.23 C ATOM 987 CD1 TYR B 43 -33.631 5.371 -16.417 1.00 84.26 C ATOM 988 CD2 TYR B 43 -31.462 5.409 -17.487 1.00 85.65 C ATOM 989 CE1 TYR B 43 -34.232 5.764 -17.607 1.00 90.62 C ATOM 990 CE2 TYR B 43 -32.054 5.799 -18.680 1.00 88.33 C ATOM 991 CZ TYR B 43 -33.432 5.982 -18.734 1.00 91.85 C ATOM 992 OH TYR B 43 -34.002 6.375 -19.918 1.00108.95 O ATOM 993 HH TYR B 43 -34.981 6.462 -19.799 1.00 0.00 H ATOM 994 H TYR B 43 -33.558 3.510 -13.709 1.00 0.00 H ATOM 995 N CYS B 44 -31.115 2.107 -12.753 1.00 29.27 N ATOM 996 CA CYS B 44 -30.098 1.437 -11.750 1.00 23.89 C ATOM 997 C CYS B 44 -30.623 -0.009 -11.628 1.00 25.48 C ATOM 998 O CYS B 44 -31.412 -0.272 -10.658 1.00 26.43 O ATOM 999 CB CYS B 44 -30.168 2.124 -10.421 1.00 27.35 C ATOM 1000 SG CYS B 44 -29.812 3.962 -10.559 1.00 33.91 S ATOM 1001 H CYS B 44 -32.135 2.068 -12.553 1.00 0.00 H ATOM 1002 N PRO B 45 -30.179 -0.880 -12.544 1.00 28.97 N ATOM 1003 CA PRO B 45 -30.668 -2.262 -12.555 1.00 30.61 C ATOM 1004 C PRO B 45 -30.166 -3.129 -11.359 1.00 26.80 C ATOM 1005 O PRO B 45 -30.818 -4.124 -11.032 1.00 23.63 O ATOM 1006 CB PRO B 45 -30.172 -2.776 -13.939 1.00 32.14 C ATOM 1007 CG PRO B 45 -28.994 -1.934 -14.332 1.00 28.80 C ATOM 1008 CD PRO B 45 -29.209 -0.611 -13.651 1.00 28.54 C ATOM 1009 N CYS B 46 -29.080 -2.755 -10.679 1.00 25.67 N ATOM 1010 CA CYS B 46 -28.556 -3.709 -9.652 1.00 22.37 C ATOM 1011 C CYS B 46 -29.376 -3.683 -8.410 1.00 25.13 C ATOM 1012 O CYS B 46 -29.849 -2.616 -8.083 1.00 27.36 O ATOM 1013 CB CYS B 46 -27.105 -3.541 -9.517 1.00 22.66 C ATOM 1014 SG CYS B 46 -26.149 -3.957 -10.990 1.00 28.73 S ATOM 1015 H CYS B 46 -28.618 -1.840 -10.855 1.00 0.00 H ATOM 1016 N LEU B 47 -29.514 -4.804 -7.657 1.00 20.75 N ATOM 1017 CA LEU B 47 -30.327 -4.903 -6.443 1.00 23.39 C ATOM 1018 C LEU B 47 -29.391 -5.145 -5.305 1.00 21.23 C ATOM 1019 O LEU B 47 -28.488 -5.942 -5.457 1.00 21.66 O ATOM 1020 CB LEU B 47 -31.364 -6.065 -6.423 1.00 25.80 C ATOM 1021 CG LEU B 47 -32.711 -5.970 -7.105 1.00 35.54 C ATOM 1022 CD1 LEU B 47 -33.598 -4.950 -6.485 1.00 29.54 C ATOM 1023 CD2 LEU B 47 -32.507 -5.884 -8.579 1.00 36.72 C ATOM 1024 H LEU B 47 -29.004 -5.656 -7.965 1.00 0.00 H ATOM 1025 N TYR B 48 -29.626 -4.477 -4.180 1.00 18.59 N ATOM 1026 CA TYR B 48 -28.845 -4.574 -2.992 1.00 20.97 C ATOM 1027 C TYR B 48 -29.648 -4.779 -1.717 1.00 19.18 C ATOM 1028 O TYR B 48 -30.840 -4.301 -1.616 1.00 22.31 O ATOM 1029 CB TYR B 48 -27.988 -3.312 -2.813 1.00 21.90 C ATOM 1030 CG TYR B 48 -27.105 -2.966 -3.934 1.00 19.31 C ATOM 1031 CD1 TYR B 48 -27.534 -2.163 -5.009 1.00 25.70 C ATOM 1032 CD2 TYR B 48 -25.841 -3.431 -3.985 1.00 22.49 C ATOM 1033 CE1 TYR B 48 -26.657 -1.795 -5.960 1.00 23.49 C ATOM 1034 CE2 TYR B 48 -24.966 -3.115 -4.936 1.00 22.85 C ATOM 1035 CZ TYR B 48 -25.349 -2.314 -5.970 1.00 21.28 C ATOM 1036 OH TYR B 48 -24.576 -1.824 -6.944 1.00 29.35 O ATOM 1037 HH TYR B 48 -25.127 -1.274 -7.556 1.00 0.00 H ATOM 1038 H TYR B 48 -30.443 -3.834 -4.166 1.00 0.00 H ATOM 1039 N ILE B 49 -29.015 -5.390 -0.702 1.00 19.10 N ATOM 1040 CA ILE B 49 -29.420 -5.359 0.604 1.00 17.54 C ATOM 1041 C ILE B 49 -29.211 -3.963 1.210 1.00 19.48 C ATOM 1042 O ILE B 49 -28.137 -3.448 1.052 1.00 22.83 O ATOM 1043 CB ILE B 49 -28.649 -6.401 1.478 1.00 20.07 C ATOM 1044 CG1 ILE B 49 -28.928 -7.814 0.871 1.00 23.66 C ATOM 1045 CG2 ILE B 49 -28.810 -6.083 2.952 1.00 21.06 C ATOM 1046 CD1 ILE B 49 -28.306 -8.996 1.539 1.00 23.50 C ATOM 1047 H ILE B 49 -28.153 -5.927 -0.926 1.00 0.00 H ATOM 1048 N VAL B 50 -30.218 -3.342 1.690 1.00 16.67 N ATOM 1049 CA VAL B 50 -30.049 -1.945 2.280 1.00 19.33 C ATOM 1050 C VAL B 50 -29.876 -2.020 3.809 1.00 25.12 C ATOM 1051 O VAL B 50 -29.005 -1.334 4.383 1.00 25.48 O ATOM 1052 CB VAL B 50 -31.163 -1.008 1.832 1.00 23.20 C ATOM 1053 CG1 VAL B 50 -31.343 0.169 2.756 1.00 24.28 C ATOM 1054 CG2 VAL B 50 -31.085 -0.621 0.288 1.00 23.34 C ATOM 1055 H VAL B 50 -31.157 -3.790 1.679 1.00 0.00 H ATOM 1056 N GLN B 51 -30.632 -2.861 4.487 1.00 21.27 N ATOM 1057 CA GLN B 51 -30.654 -3.011 5.908 1.00 20.26 C ATOM 1058 C GLN B 51 -30.832 -4.455 6.343 1.00 17.94 C ATOM 1059 O GLN B 51 -31.709 -5.177 5.699 1.00 19.50 O ATOM 1060 CB GLN B 51 -31.767 -2.195 6.461 1.00 27.47 C ATOM 1061 CG GLN B 51 -31.763 -2.098 7.981 1.00 32.62 C ATOM 1062 CD GLN B 51 -32.491 -0.893 8.594 1.00 33.52 C ATOM 1063 OE1 GLN B 51 -32.275 -0.621 9.775 1.00 50.67 O ATOM 1064 NE2 GLN B 51 -33.332 -0.206 7.860 1.00 35.71 N ATOM 1065 HE22 GLN B 51 -33.488 -0.467 6.865 1.00 0.00 H ATOM 1066 HE21 GLN B 51 -33.844 0.600 8.272 1.00 0.00 H ATOM 1067 H GLN B 51 -31.271 -3.471 3.938 1.00 0.00 H ATOM 1068 N VAL B 52 -30.117 -4.849 7.295 1.00 17.26 N ATOM 1069 CA VAL B 52 -30.288 -6.167 7.978 1.00 19.77 C ATOM 1070 C VAL B 52 -30.814 -5.811 9.377 1.00 22.77 C ATOM 1071 O VAL B 52 -30.144 -5.070 10.214 1.00 21.69 O ATOM 1072 CB VAL B 52 -29.010 -6.965 7.976 1.00 19.35 C ATOM 1073 CG1 VAL B 52 -29.147 -8.278 8.751 1.00 23.38 C ATOM 1074 CG2 VAL B 52 -28.563 -7.219 6.528 1.00 18.22 C ATOM 1075 H VAL B 52 -29.359 -4.220 7.629 1.00 0.00 H ATOM 1076 N PHE B 53 -32.075 -6.195 9.697 1.00 17.94 N ATOM 1077 CA PHE B 53 -32.642 -5.871 10.914 1.00 20.94 C ATOM 1078 C PHE B 53 -32.197 -6.715 12.127 1.00 21.66 C ATOM 1079 O PHE B 53 -32.083 -7.983 11.993 1.00 21.14 O ATOM 1080 CB PHE B 53 -34.153 -5.954 10.748 1.00 25.73 C ATOM 1081 CG PHE B 53 -34.693 -4.932 9.858 1.00 20.20 C ATOM 1082 CD1 PHE B 53 -34.703 -3.557 10.238 1.00 24.36 C ATOM 1083 CD2 PHE B 53 -35.241 -5.327 8.622 1.00 23.60 C ATOM 1084 CE1 PHE B 53 -35.317 -2.613 9.364 1.00 28.62 C ATOM 1085 CE2 PHE B 53 -35.771 -4.429 7.748 1.00 23.58 C ATOM 1086 CZ PHE B 53 -35.748 -3.026 8.083 1.00 26.65 C ATOM 1087 H PHE B 53 -32.628 -6.746 9.010 1.00 0.00 H ATOM 1088 N ASP B 54 -31.986 -6.088 13.311 1.00 22.92 N ATOM 1089 CA ASP B 54 -31.591 -6.833 14.497 1.00 18.88 C ATOM 1090 C ASP B 54 -32.495 -7.924 14.845 1.00 18.46 C ATOM 1091 O ASP B 54 -33.727 -7.760 14.708 1.00 20.51 O ATOM 1092 CB ASP B 54 -31.546 -5.975 15.687 1.00 21.11 C ATOM 1093 CG ASP B 54 -30.354 -4.900 15.615 1.00 27.96 C ATOM 1094 OD1 ASP B 54 -29.389 -5.035 14.797 1.00 30.66 O ATOM 1095 OD2 ASP B 54 -30.472 -4.080 16.521 1.00 33.23 O ATOM 1096 H ASP B 54 -32.109 -5.057 13.372 1.00 0.00 H ATOM 1097 N ASN B 55 -31.942 -9.012 15.417 1.00 19.76 N ATOM 1098 CA ASN B 55 -32.757 -10.177 15.934 1.00 23.02 C ATOM 1099 C ASN B 55 -33.584 -10.845 14.826 1.00 26.58 C ATOM 1100 O ASN B 55 -34.677 -11.333 15.104 1.00 28.68 O ATOM 1101 CB ASN B 55 -33.788 -9.803 17.018 1.00 24.08 C ATOM 1102 CG ASN B 55 -33.127 -9.395 18.276 1.00 29.84 C ATOM 1103 OD1 ASN B 55 -32.384 -10.244 18.839 1.00 38.06 O ATOM 1104 ND2 ASN B 55 -33.302 -8.174 18.706 1.00 30.10 N ATOM 1105 HD22 ASN B 55 -33.931 -7.526 18.190 1.00 0.00 H ATOM 1106 HD21 ASN B 55 -32.812 -7.850 19.564 1.00 0.00 H ATOM 1107 H ASN B 55 -30.907 -9.053 15.507 1.00 0.00 H ATOM 1108 N THR B 56 -33.061 -10.857 13.599 1.00 24.47 N ATOM 1109 CA THR B 56 -33.734 -11.559 12.533 1.00 24.10 C ATOM 1110 C THR B 56 -32.832 -12.712 12.033 1.00 24.74 C ATOM 1111 O THR B 56 -31.726 -12.720 12.361 1.00 19.75 O ATOM 1112 CB THR B 56 -34.080 -10.630 11.333 1.00 22.71 C ATOM 1113 OG1 THR B 56 -32.851 -10.129 10.769 1.00 21.66 O ATOM 1114 CG2 THR B 56 -34.929 -9.436 11.806 1.00 26.41 C ATOM 1115 HG1 THR B 56 -32.356 -9.619 11.459 1.00 0.00 H ATOM 1116 H THR B 56 -32.167 -10.360 13.410 1.00 0.00 H ATOM 1117 N PRO B 57 -33.439 -13.712 11.246 1.00 20.57 N ATOM 1118 CA PRO B 57 -32.481 -14.741 10.693 1.00 21.26 C ATOM 1119 C PRO B 57 -31.247 -14.194 9.978 1.00 19.49 C ATOM 1120 O PRO B 57 -30.158 -14.716 10.271 1.00 19.98 O ATOM 1121 CB PRO B 57 -33.403 -15.696 9.908 1.00 24.87 C ATOM 1122 CG PRO B 57 -34.747 -15.480 10.601 1.00 22.99 C ATOM 1123 CD PRO B 57 -34.828 -14.140 11.193 1.00 25.77 C ATOM 1124 N ALA B 58 -31.404 -13.151 9.211 1.00 17.42 N ATOM 1125 CA ALA B 58 -30.343 -12.697 8.397 1.00 18.05 C ATOM 1126 C ALA B 58 -29.294 -12.089 9.416 1.00 17.00 C ATOM 1127 O ALA B 58 -28.084 -12.210 9.232 1.00 18.45 O ATOM 1128 CB ALA B 58 -30.824 -11.589 7.393 1.00 19.58 C ATOM 1129 H ALA B 58 -32.316 -12.651 9.199 1.00 0.00 H ATOM 1130 N ALA B 59 -29.778 -11.295 10.383 1.00 18.27 N ATOM 1131 CA ALA B 59 -28.830 -10.645 11.344 1.00 19.65 C ATOM 1132 C ALA B 59 -28.090 -11.695 12.207 1.00 25.41 C ATOM 1133 O ALA B 59 -26.858 -11.640 12.278 1.00 27.91 O ATOM 1134 CB ALA B 59 -29.469 -9.615 12.222 1.00 20.13 C ATOM 1135 H ALA B 59 -30.802 -11.132 10.465 1.00 0.00 H ATOM 1136 N LEU B 60 -28.848 -12.739 12.640 1.00 20.87 N ATOM 1137 CA LEU B 60 -28.245 -13.746 13.554 1.00 27.55 C ATOM 1138 C LEU B 60 -27.265 -14.681 12.743 1.00 25.64 C ATOM 1139 O LEU B 60 -26.195 -15.059 13.251 1.00 26.80 O ATOM 1140 CB LEU B 60 -29.278 -14.531 14.319 1.00 28.82 C ATOM 1141 CG LEU B 60 -30.034 -13.609 15.359 1.00 28.04 C ATOM 1142 CD1 LEU B 60 -31.188 -14.438 15.996 1.00 38.08 C ATOM 1143 CD2 LEU B 60 -29.043 -13.039 16.371 1.00 33.35 C ATOM 1144 H LEU B 60 -29.838 -12.832 12.335 1.00 0.00 H ATOM 1145 N ASP B 61 -27.574 -14.982 11.480 1.00 21.28 N ATOM 1146 CA ASP B 61 -26.687 -15.758 10.608 1.00 21.27 C ATOM 1147 C ASP B 61 -25.346 -15.074 10.391 1.00 23.00 C ATOM 1148 O ASP B 61 -24.285 -15.728 10.400 1.00 20.86 O ATOM 1149 CB ASP B 61 -27.398 -16.156 9.257 1.00 20.00 C ATOM 1150 CG ASP B 61 -26.450 -16.761 8.306 1.00 25.66 C ATOM 1151 OD1 ASP B 61 -26.358 -18.019 8.331 1.00 26.62 O ATOM 1152 OD2 ASP B 61 -25.910 -16.001 7.554 1.00 20.98 O ATOM 1153 H ASP B 61 -28.483 -14.652 11.098 1.00 0.00 H ATOM 1154 N GLY B 62 -25.381 -13.784 10.050 1.00 20.17 N ATOM 1155 CA GLY B 62 -24.120 -13.016 9.911 1.00 21.09 C ATOM 1156 C GLY B 62 -23.371 -13.048 8.611 1.00 21.67 C ATOM 1157 O GLY B 62 -22.406 -12.295 8.448 1.00 25.22 O ATOM 1158 H GLY B 62 -26.295 -13.316 9.881 1.00 0.00 H ATOM 1159 N THR B 63 -23.845 -13.788 7.619 1.00 18.21 N ATOM 1160 CA THR B 63 -23.274 -13.800 6.283 1.00 19.77 C ATOM 1161 C THR B 63 -23.432 -12.534 5.484 1.00 22.55 C ATOM 1162 O THR B 63 -22.481 -12.053 4.871 1.00 25.21 O ATOM 1163 CB THR B 63 -23.845 -14.930 5.474 1.00 20.71 C ATOM 1164 OG1 THR B 63 -23.593 -16.224 6.138 1.00 26.57 O ATOM 1165 CG2 THR B 63 -23.253 -14.889 4.107 1.00 23.24 C ATOM 1166 HG1 THR B 63 -24.017 -16.223 7.032 1.00 0.00 H ATOM 1167 H THR B 63 -24.670 -14.393 7.807 1.00 0.00 H ATOM 1168 N VAL B 64 -24.681 -12.121 5.417 1.00 21.82 N ATOM 1169 CA VAL B 64 -25.020 -10.934 4.588 1.00 27.02 C ATOM 1170 C VAL B 64 -25.071 -9.658 5.333 1.00 24.59 C ATOM 1171 O VAL B 64 -25.351 -9.616 6.529 1.00 25.97 O ATOM 1172 CB VAL B 64 -26.368 -11.090 3.841 1.00 24.93 C ATOM 1173 CG1 VAL B 64 -26.437 -12.367 3.008 1.00 28.19 C ATOM 1174 CG2 VAL B 64 -27.505 -11.003 4.805 1.00 28.86 C ATOM 1175 H VAL B 64 -25.426 -12.623 5.941 1.00 0.00 H ATOM 1176 N ALA B 65 -24.775 -8.539 4.633 1.00 19.37 N ATOM 1177 CA ALA B 65 -24.719 -7.168 5.250 1.00 24.62 C ATOM 1178 C ALA B 65 -25.101 -6.096 4.286 1.00 19.40 C ATOM 1179 O ALA B 65 -25.100 -6.276 3.044 1.00 23.85 O ATOM 1180 CB ALA B 65 -23.327 -6.850 5.799 1.00 19.48 C ATOM 1181 H ALA B 65 -24.576 -8.631 3.616 1.00 0.00 H ATOM 1182 N ALA B 66 -25.463 -4.917 4.885 1.00 22.03 N ATOM 1183 CA ALA B 66 -25.793 -3.702 4.157 1.00 21.33 C ATOM 1184 C ALA B 66 -24.755 -3.545 2.945 1.00 20.26 C ATOM 1185 O ALA B 66 -23.478 -3.680 3.143 1.00 21.22 O ATOM 1186 CB ALA B 66 -25.804 -2.477 5.038 1.00 20.22 C ATOM 1187 H ALA B 66 -25.504 -4.890 5.924 1.00 0.00 H ATOM 1188 N GLY B 67 -25.226 -3.344 1.761 1.00 22.37 N ATOM 1189 CA GLY B 67 -24.360 -3.094 0.614 1.00 20.65 C ATOM 1190 C GLY B 67 -24.061 -4.297 -0.230 1.00 20.27 C ATOM 1191 O GLY B 67 -23.645 -4.154 -1.405 1.00 21.87 O ATOM 1192 H GLY B 67 -26.256 -3.361 1.620 1.00 0.00 H ATOM 1193 N ASP B 68 -24.257 -5.473 0.317 1.00 20.74 N ATOM 1194 CA ASP B 68 -24.111 -6.698 -0.577 1.00 21.78 C ATOM 1195 C ASP B 68 -25.152 -6.705 -1.730 1.00 20.99 C ATOM 1196 O ASP B 68 -26.312 -6.309 -1.562 1.00 18.98 O ATOM 1197 CB ASP B 68 -24.316 -7.993 0.275 1.00 23.15 C ATOM 1198 CG ASP B 68 -23.225 -8.161 1.300 1.00 25.84 C ATOM 1199 OD1 ASP B 68 -22.175 -7.498 1.141 1.00 23.75 O ATOM 1200 OD2 ASP B 68 -23.351 -8.876 2.249 1.00 24.09 O ATOM 1201 H ASP B 68 -24.503 -5.566 1.323 1.00 0.00 H ATOM 1202 N GLU B 69 -24.712 -7.046 -2.916 1.00 20.87 N ATOM 1203 CA GLU B 69 -25.555 -7.134 -4.096 1.00 19.48 C ATOM 1204 C GLU B 69 -26.289 -8.477 -4.065 1.00 21.22 C ATOM 1205 O GLU B 69 -25.705 -9.475 -3.880 1.00 22.56 O ATOM 1206 CB GLU B 69 -24.776 -7.077 -5.386 1.00 19.96 C ATOM 1207 CG GLU B 69 -25.563 -7.106 -6.638 1.00 24.51 C ATOM 1208 CD GLU B 69 -24.739 -7.183 -7.950 1.00 24.92 C ATOM 1209 OE1 GLU B 69 -25.364 -7.190 -9.008 1.00 28.38 O ATOM 1210 OE2 GLU B 69 -23.479 -7.315 -7.904 1.00 27.45 O ATOM 1211 H GLU B 69 -23.701 -7.266 -3.019 1.00 0.00 H ATOM 1212 N ILE B 70 -27.558 -8.450 -4.401 1.00 20.72 N ATOM 1213 CA ILE B 70 -28.247 -9.780 -4.500 1.00 27.50 C ATOM 1214 C ILE B 70 -28.375 -10.099 -5.941 1.00 22.55 C ATOM 1215 O ILE B 70 -28.732 -9.331 -6.765 1.00 25.57 O ATOM 1216 CB ILE B 70 -29.609 -9.919 -3.660 1.00 28.74 C ATOM 1217 CG1 ILE B 70 -30.765 -10.212 -4.521 1.00 30.79 C ATOM 1218 CG2 ILE B 70 -29.891 -8.771 -2.592 1.00 29.48 C ATOM 1219 CD1 ILE B 70 -30.936 -11.730 -4.648 1.00 36.61 C ATOM 1220 H ILE B 70 -28.058 -7.557 -4.588 1.00 0.00 H ATOM 1221 N THR B 71 -27.947 -11.343 -6.238 1.00 21.83 N ATOM 1222 CA THR B 71 -27.979 -11.868 -7.598 1.00 23.90 C ATOM 1223 C THR B 71 -29.101 -12.893 -7.946 1.00 21.99 C ATOM 1224 O THR B 71 -29.400 -13.138 -9.185 1.00 25.05 O ATOM 1225 CB THR B 71 -26.531 -12.395 -8.024 1.00 21.40 C ATOM 1226 OG1 THR B 71 -26.057 -13.338 -7.056 1.00 23.38 O ATOM 1227 CG2 THR B 71 -25.654 -11.289 -8.077 1.00 24.51 C ATOM 1228 HG1 THR B 71 -25.160 -13.662 -7.324 1.00 0.00 H ATOM 1229 H THR B 71 -27.583 -11.947 -5.473 1.00 0.00 H ATOM 1230 N GLY B 72 -29.674 -13.519 -6.951 1.00 22.33 N ATOM 1231 CA GLY B 72 -30.675 -14.559 -7.226 1.00 22.17 C ATOM 1232 C GLY B 72 -31.290 -15.068 -5.942 1.00 21.14 C ATOM 1233 O GLY B 72 -30.771 -14.790 -4.730 1.00 21.26 O ATOM 1234 H GLY B 72 -29.423 -13.282 -5.970 1.00 0.00 H ATOM 1235 N VAL B 73 -32.368 -15.899 -6.144 1.00 18.10 N ATOM 1236 CA VAL B 73 -33.189 -16.337 -5.018 1.00 16.63 C ATOM 1237 C VAL B 73 -33.530 -17.794 -5.400 1.00 15.81 C ATOM 1238 O VAL B 73 -34.037 -18.015 -6.543 1.00 19.86 O ATOM 1239 CB VAL B 73 -34.402 -15.517 -4.817 1.00 18.72 C ATOM 1240 CG1 VAL B 73 -35.442 -16.183 -3.925 1.00 18.56 C ATOM 1241 CG2 VAL B 73 -34.078 -14.074 -4.347 1.00 22.35 C ATOM 1242 H VAL B 73 -32.600 -16.218 -7.106 1.00 0.00 H ATOM 1243 N ASN B 74 -33.124 -18.730 -4.533 1.00 18.03 N ATOM 1244 CA ASN B 74 -33.451 -20.183 -4.812 1.00 19.30 C ATOM 1245 C ASN B 74 -33.019 -20.656 -6.231 1.00 18.30 C ATOM 1246 O ASN B 74 -33.731 -21.376 -6.880 1.00 24.06 O ATOM 1247 CB ASN B 74 -34.944 -20.416 -4.478 1.00 23.53 C ATOM 1248 CG ASN B 74 -35.135 -20.926 -3.043 1.00 27.34 C ATOM 1249 OD1 ASN B 74 -34.370 -20.545 -2.183 1.00 25.59 O ATOM 1250 ND2 ASN B 74 -36.266 -21.707 -2.749 1.00 25.38 N ATOM 1251 HD22 ASN B 74 -36.899 -22.015 -3.515 1.00 0.00 H ATOM 1252 HD21 ASN B 74 -36.470 -21.977 -1.766 1.00 0.00 H ATOM 1253 H ASN B 74 -32.592 -18.464 -3.680 1.00 0.00 H ATOM 1254 N GLY B 75 -31.793 -20.344 -6.617 1.00 19.77 N ATOM 1255 CA GLY B 75 -31.238 -20.797 -7.884 1.00 20.77 C ATOM 1256 C GLY B 75 -31.759 -20.120 -9.123 1.00 20.75 C ATOM 1257 O GLY B 75 -31.463 -20.547 -10.211 1.00 23.20 O ATOM 1258 H GLY B 75 -31.205 -19.755 -5.994 1.00 0.00 H ATOM 1259 N ARG B 76 -32.511 -19.036 -8.952 1.00 22.07 N ATOM 1260 CA ARG B 76 -33.064 -18.243 -10.048 1.00 22.57 C ATOM 1261 C ARG B 76 -32.610 -16.759 -9.948 1.00 24.19 C ATOM 1262 O ARG B 76 -32.503 -16.222 -8.916 1.00 19.88 O ATOM 1263 CB ARG B 76 -34.573 -18.369 -10.098 1.00 27.30 C ATOM 1264 CG ARG B 76 -35.013 -19.830 -10.123 1.00 28.66 C ATOM 1265 CD ARG B 76 -36.175 -20.197 -11.008 1.00 35.15 C ATOM 1266 NE ARG B 76 -37.355 -20.637 -10.252 1.00 37.49 N ATOM 1267 CZ ARG B 76 -38.103 -21.719 -10.494 1.00 50.18 C ATOM 1268 NH1 ARG B 76 -37.847 -22.548 -11.488 1.00 45.62 N ATOM 1269 NH2 ARG B 76 -39.157 -21.963 -9.732 1.00 48.28 N ATOM 1270 HE ARG B 76 -37.638 -20.046 -9.445 1.00 0.00 H ATOM 1271 HH12 ARG B 76 -38.454 -23.378 -11.642 1.00 0.00 H ATOM 1272 HH11 ARG B 76 -37.038 -22.371 -12.118 1.00 0.00 H ATOM 1273 HH22 ARG B 76 -39.745 -22.802 -9.911 1.00 0.00 H ATOM 1274 HH21 ARG B 76 -39.397 -21.316 -8.954 1.00 0.00 H ATOM 1275 H ARG B 76 -32.718 -18.734 -7.978 1.00 0.00 H ATOM 1276 N SER B 77 -32.321 -16.158 -11.079 1.00 23.88 N ATOM 1277 CA SER B 77 -31.841 -14.791 -11.109 1.00 21.59 C ATOM 1278 C SER B 77 -32.878 -13.753 -10.836 1.00 19.47 C ATOM 1279 O SER B 77 -34.025 -13.963 -11.082 1.00 22.32 O ATOM 1280 CB SER B 77 -31.279 -14.513 -12.480 1.00 21.69 C ATOM 1281 OG SER B 77 -30.864 -13.211 -12.597 1.00 22.60 O ATOM 1282 HG SER B 77 -30.160 -13.029 -11.926 1.00 0.00 H ATOM 1283 H SER B 77 -32.439 -16.675 -11.974 1.00 0.00 H ATOM 1284 N ILE B 78 -32.453 -12.623 -10.310 1.00 19.53 N ATOM 1285 CA ILE B 78 -33.408 -11.517 -10.143 1.00 25.92 C ATOM 1286 C ILE B 78 -33.263 -10.456 -11.293 1.00 26.78 C ATOM 1287 O ILE B 78 -33.932 -9.426 -11.242 1.00 24.57 O ATOM 1288 CB ILE B 78 -33.218 -10.861 -8.753 1.00 23.83 C ATOM 1289 CG1 ILE B 78 -31.774 -10.399 -8.483 1.00 22.92 C ATOM 1290 CG2 ILE B 78 -33.545 -11.795 -7.628 1.00 31.23 C ATOM 1291 CD1 ILE B 78 -30.975 -9.548 -9.447 1.00 27.22 C ATOM 1292 H ILE B 78 -31.461 -12.515 -10.018 1.00 0.00 H ATOM 1293 N LYS B 79 -32.571 -10.833 -12.399 1.00 27.19 N ATOM 1294 CA LYS B 79 -32.001 -9.832 -13.349 1.00 27.47 C ATOM 1295 C LYS B 79 -33.231 -9.233 -13.969 1.00 25.78 C ATOM 1296 O LYS B 79 -34.237 -9.896 -14.274 1.00 24.01 O ATOM 1297 CB LYS B 79 -30.947 -10.431 -14.312 1.00 31.44 C ATOM 1298 CG LYS B 79 -30.233 -9.429 -15.256 1.00 32.32 C ATOM 1299 CD LYS B 79 -29.606 -10.024 -16.542 1.00 33.22 C ATOM 1300 CE LYS B 79 -29.076 -8.919 -17.474 1.00 37.83 C ATOM 1301 NZ LYS B 79 -28.377 -9.573 -18.621 1.00 43.48 N ATOM 1302 HZ1 LYS B 79 -27.588 -10.148 -18.262 1.00 0.00 H ATOM 1303 HZ2 LYS B 79 -29.047 -10.182 -19.132 1.00 0.00 H ATOM 1304 HZ3 LYS B 79 -28.011 -8.842 -19.264 1.00 0.00 H ATOM 1305 H LYS B 79 -32.434 -11.846 -12.589 1.00 0.00 H ATOM 1306 N GLY B 80 -33.205 -7.905 -13.991 1.00 29.33 N ATOM 1307 CA GLY B 80 -34.298 -7.164 -14.546 1.00 27.05 C ATOM 1308 C GLY B 80 -35.520 -6.946 -13.709 1.00 32.02 C ATOM 1309 O GLY B 80 -36.416 -6.256 -14.196 1.00 32.19 O ATOM 1310 H GLY B 80 -32.384 -7.399 -13.602 1.00 0.00 H ATOM 1311 N LYS B 81 -35.640 -7.549 -12.533 1.00 29.65 N ATOM 1312 CA LYS B 81 -36.851 -7.413 -11.724 1.00 33.25 C ATOM 1313 C LYS B 81 -36.848 -6.158 -10.873 1.00 26.15 C ATOM 1314 O LYS B 81 -35.833 -5.629 -10.604 1.00 28.17 O ATOM 1315 CB LYS B 81 -36.997 -8.585 -10.752 1.00 32.58 C ATOM 1316 CG LYS B 81 -37.110 -9.978 -11.331 1.00 37.34 C ATOM 1317 CD LYS B 81 -38.457 -10.237 -11.941 1.00 44.09 C ATOM 1318 CE LYS B 81 -38.600 -11.620 -12.536 1.00 46.71 C ATOM 1319 NZ LYS B 81 -38.508 -12.685 -11.531 1.00 47.02 N ATOM 1320 HZ1 LYS B 81 -37.582 -12.636 -11.060 1.00 0.00 H ATOM 1321 HZ2 LYS B 81 -39.264 -12.562 -10.827 1.00 0.00 H ATOM 1322 HZ3 LYS B 81 -38.613 -13.609 -11.996 1.00 0.00 H ATOM 1323 H LYS B 81 -34.855 -8.132 -12.178 1.00 0.00 H ATOM 1324 N THR B 82 -38.018 -5.726 -10.462 1.00 27.42 N ATOM 1325 CA THR B 82 -38.162 -4.579 -9.607 1.00 29.32 C ATOM 1326 C THR B 82 -37.971 -5.089 -8.196 1.00 25.73 C ATOM 1327 O THR B 82 -38.018 -6.240 -7.986 1.00 27.52 O ATOM 1328 CB THR B 82 -39.572 -3.963 -9.673 1.00 33.13 C ATOM 1329 OG1 THR B 82 -40.519 -4.864 -9.143 1.00 31.84 O ATOM 1330 CG2 THR B 82 -39.974 -3.656 -11.057 1.00 37.76 C ATOM 1331 HG1 THR B 82 -41.421 -4.459 -9.190 1.00 0.00 H ATOM 1332 H THR B 82 -38.873 -6.233 -10.767 1.00 0.00 H ATOM 1333 N LYS B 83 -37.784 -4.196 -7.250 1.00 27.96 N ATOM 1334 CA LYS B 83 -37.638 -4.624 -5.887 1.00 27.71 C ATOM 1335 C LYS B 83 -38.939 -5.208 -5.313 1.00 28.97 C ATOM 1336 O LYS B 83 -38.867 -6.074 -4.496 1.00 26.18 O ATOM 1337 CB LYS B 83 -36.970 -3.595 -5.004 1.00 32.97 C ATOM 1338 CG LYS B 83 -37.752 -2.373 -4.701 1.00 34.44 C ATOM 1339 CD LYS B 83 -36.872 -1.400 -3.982 1.00 36.58 C ATOM 1340 CE LYS B 83 -36.973 -0.012 -4.545 1.00 39.29 C ATOM 1341 NZ LYS B 83 -36.677 0.077 -5.990 1.00 43.06 N ATOM 1342 HZ1 LYS B 83 -35.707 -0.255 -6.165 1.00 0.00 H ATOM 1343 HZ2 LYS B 83 -37.348 -0.517 -6.517 1.00 0.00 H ATOM 1344 HZ3 LYS B 83 -36.768 1.065 -6.301 1.00 0.00 H ATOM 1345 H LYS B 83 -37.742 -3.184 -7.487 1.00 0.00 H ATOM 1346 N VAL B 84 -40.104 -4.764 -5.768 1.00 26.97 N ATOM 1347 CA VAL B 84 -41.334 -5.338 -5.268 1.00 29.78 C ATOM 1348 C VAL B 84 -41.429 -6.775 -5.732 1.00 28.46 C ATOM 1349 O VAL B 84 -41.873 -7.604 -5.018 1.00 26.57 O ATOM 1350 CB VAL B 84 -42.601 -4.623 -5.699 1.00 37.07 C ATOM 1351 CG1 VAL B 84 -43.771 -5.227 -4.999 1.00 36.61 C ATOM 1352 CG2 VAL B 84 -42.524 -3.172 -5.354 1.00 40.28 C ATOM 1353 H VAL B 84 -40.132 -4.007 -6.481 1.00 0.00 H ATOM 1354 N GLU B 85 -40.994 -7.023 -6.953 1.00 25.65 N ATOM 1355 CA GLU B 85 -40.943 -8.424 -7.502 1.00 29.18 C ATOM 1356 C GLU B 85 -39.935 -9.265 -6.722 1.00 24.02 C ATOM 1357 O GLU B 85 -40.213 -10.416 -6.499 1.00 26.13 O ATOM 1358 CB GLU B 85 -40.620 -8.362 -8.979 1.00 29.69 C ATOM 1359 CG GLU B 85 -41.805 -8.126 -9.864 1.00 35.84 C ATOM 1360 CD GLU B 85 -41.496 -7.451 -11.220 1.00 44.21 C ATOM 1361 OE1 GLU B 85 -40.326 -7.376 -11.699 1.00 29.20 O ATOM 1362 OE2 GLU B 85 -42.496 -6.981 -11.814 1.00 46.85 O ATOM 1363 H GLU B 85 -40.679 -6.232 -7.550 1.00 0.00 H ATOM 1364 N VAL B 86 -38.747 -8.769 -6.419 1.00 23.06 N ATOM 1365 CA VAL B 86 -37.784 -9.525 -5.649 1.00 23.72 C ATOM 1366 C VAL B 86 -38.372 -9.789 -4.291 1.00 24.16 C ATOM 1367 O VAL B 86 -38.217 -10.909 -3.752 1.00 22.39 O ATOM 1368 CB VAL B 86 -36.413 -8.845 -5.499 1.00 23.65 C ATOM 1369 CG1 VAL B 86 -35.489 -9.661 -4.571 1.00 25.70 C ATOM 1370 CG2 VAL B 86 -35.795 -8.686 -6.835 1.00 24.28 C ATOM 1371 H VAL B 86 -38.499 -7.812 -6.742 1.00 0.00 H ATOM 1372 N ALA B 87 -39.031 -8.847 -3.633 1.00 19.35 N ATOM 1373 CA ALA B 87 -39.637 -9.129 -2.338 1.00 21.04 C ATOM 1374 C ALA B 87 -40.700 -10.197 -2.409 1.00 21.13 C ATOM 1375 O ALA B 87 -40.740 -11.072 -1.575 1.00 23.03 O ATOM 1376 CB ALA B 87 -40.219 -7.838 -1.722 1.00 21.99 C ATOM 1377 H ALA B 87 -39.117 -7.896 -4.045 1.00 0.00 H ATOM 1378 N LYS B 88 -41.434 -10.196 -3.518 1.00 22.40 N ATOM 1379 CA LYS B 88 -42.460 -11.222 -3.704 1.00 27.85 C ATOM 1380 C LYS B 88 -41.826 -12.580 -3.891 1.00 23.60 C ATOM 1381 O LYS B 88 -42.271 -13.514 -3.228 1.00 31.25 O ATOM 1382 CB LYS B 88 -43.329 -10.828 -4.852 1.00 35.81 C ATOM 1383 CG LYS B 88 -44.344 -9.762 -4.373 1.00 38.43 C ATOM 1384 CD LYS B 88 -44.921 -8.823 -5.441 1.00 45.79 C ATOM 1385 CE LYS B 88 -46.160 -8.078 -5.002 1.00 49.72 C ATOM 1386 NZ LYS B 88 -47.321 -8.544 -5.825 1.00 59.41 N ATOM 1387 HZ1 LYS B 88 -47.131 -8.352 -6.829 1.00 0.00 H ATOM 1388 HZ2 LYS B 88 -47.456 -9.566 -5.685 1.00 0.00 H ATOM 1389 HZ3 LYS B 88 -48.179 -8.036 -5.530 1.00 0.00 H ATOM 1390 H LYS B 88 -41.280 -9.471 -4.248 1.00 0.00 H ATOM 1391 N MET B 89 -40.760 -12.706 -4.695 1.00 24.41 N ATOM 1392 CA MET B 89 -39.950 -13.927 -4.892 1.00 24.72 C ATOM 1393 C MET B 89 -39.524 -14.494 -3.510 1.00 28.43 C ATOM 1394 O MET B 89 -39.619 -15.693 -3.364 1.00 27.73 O ATOM 1395 CB MET B 89 -38.724 -13.576 -5.729 1.00 25.72 C ATOM 1396 CG MET B 89 -37.904 -14.661 -6.258 1.00 33.24 C ATOM 1397 SD MET B 89 -36.682 -13.988 -7.396 1.00 39.79 S ATOM 1398 CE MET B 89 -37.699 -12.936 -8.405 1.00 23.47 C ATOM 1399 H MET B 89 -40.475 -11.862 -5.232 1.00 0.00 H ATOM 1400 N ILE B 90 -38.993 -13.668 -2.567 1.00 23.78 N ATOM 1401 CA ILE B 90 -38.442 -14.099 -1.335 1.00 20.90 C ATOM 1402 C ILE B 90 -39.652 -14.592 -0.449 1.00 27.18 C ATOM 1403 O ILE B 90 -39.597 -15.639 0.177 1.00 25.58 O ATOM 1404 CB ILE B 90 -37.581 -13.004 -0.586 1.00 25.56 C ATOM 1405 CG1 ILE B 90 -36.314 -12.826 -1.395 1.00 21.40 C ATOM 1406 CG2 ILE B 90 -37.249 -13.441 0.746 1.00 19.49 C ATOM 1407 CD1 ILE B 90 -35.389 -11.680 -0.978 1.00 27.87 C ATOM 1408 H ILE B 90 -38.992 -12.647 -2.765 1.00 0.00 H ATOM 1409 N GLN B 91 -40.734 -13.818 -0.433 1.00 24.47 N ATOM 1410 CA GLN B 91 -41.912 -14.083 0.428 1.00 21.63 C ATOM 1411 C GLN B 91 -42.586 -15.416 0.048 1.00 29.60 C ATOM 1412 O GLN B 91 -42.893 -16.218 0.917 1.00 30.33 O ATOM 1413 CB GLN B 91 -42.902 -12.956 0.132 1.00 30.24 C ATOM 1414 CG GLN B 91 -42.683 -11.805 1.127 1.00 32.92 C ATOM 1415 CD GLN B 91 -42.985 -10.361 0.597 1.00 41.30 C ATOM 1416 OE1 GLN B 91 -43.475 -10.124 -0.561 1.00 48.89 O ATOM 1417 NE2 GLN B 91 -42.670 -9.367 1.472 1.00 43.33 N ATOM 1418 HE22 GLN B 91 -42.273 -9.601 2.404 1.00 0.00 H ATOM 1419 HE21 GLN B 91 -42.826 -8.373 1.208 1.00 0.00 H ATOM 1420 H GLN B 91 -40.755 -12.985 -1.056 1.00 0.00 H ATOM 1421 N GLU B 92 -42.617 -15.697 -1.238 1.00 26.15 N ATOM 1422 CA GLU B 92 -43.251 -16.987 -1.759 1.00 27.61 C ATOM 1423 C GLU B 92 -42.532 -18.280 -1.335 1.00 29.40 C ATOM 1424 O GLU B 92 -43.137 -19.350 -1.322 1.00 28.69 O ATOM 1425 CB GLU B 92 -43.519 -16.865 -3.232 1.00 32.40 C ATOM 1426 CG GLU B 92 -44.860 -16.235 -3.504 1.00 41.73 C ATOM 1427 CD GLU B 92 -45.032 -15.553 -4.885 1.00 40.70 C ATOM 1428 OE1 GLU B 92 -45.462 -14.354 -4.885 1.00 47.19 O ATOM 1429 OE2 GLU B 92 -44.756 -16.195 -5.961 1.00 47.40 O ATOM 1430 H GLU B 92 -42.201 -15.026 -1.915 1.00 0.00 H ATOM 1431 N VAL B 93 -41.265 -18.234 -1.056 1.00 29.90 N ATOM 1432 CA VAL B 93 -40.521 -19.387 -0.619 1.00 28.19 C ATOM 1433 C VAL B 93 -40.814 -19.457 0.835 1.00 29.76 C ATOM 1434 O VAL B 93 -40.664 -18.405 1.585 1.00 30.88 O ATOM 1435 CB VAL B 93 -38.947 -19.154 -0.951 1.00 28.67 C ATOM 1436 CG1 VAL B 93 -38.160 -20.358 -0.535 1.00 30.53 C ATOM 1437 CG2 VAL B 93 -38.764 -18.855 -2.411 1.00 27.59 C ATOM 1438 H VAL B 93 -40.766 -17.326 -1.152 1.00 0.00 H ATOM 1439 N LYS B 94 -41.260 -20.606 1.350 1.00 25.83 N ATOM 1440 CA LYS B 94 -41.522 -20.767 2.807 1.00 24.19 C ATOM 1441 C LYS B 94 -40.455 -21.609 3.468 1.00 21.90 C ATOM 1442 O LYS B 94 -39.726 -22.362 2.813 1.00 22.08 O ATOM 1443 CB LYS B 94 -42.914 -21.350 3.085 1.00 24.59 C ATOM 1444 CG LYS B 94 -44.068 -20.563 2.497 1.00 27.10 C ATOM 1445 CD LYS B 94 -44.086 -19.120 2.977 1.00 29.86 C ATOM 1446 CE LYS B 94 -45.335 -18.410 2.407 1.00 28.21 C ATOM 1447 NZ LYS B 94 -45.493 -18.479 0.965 1.00 34.60 N ATOM 1448 HZ1 LYS B 94 -44.670 -18.038 0.506 1.00 0.00 H ATOM 1449 HZ2 LYS B 94 -45.563 -19.475 0.672 1.00 0.00 H ATOM 1450 HZ3 LYS B 94 -46.358 -17.973 0.688 1.00 0.00 H ATOM 1451 H LYS B 94 -41.429 -21.412 0.715 1.00 0.00 H ATOM 1452 N GLY B 95 -40.409 -21.534 4.782 1.00 23.58 N ATOM 1453 CA GLY B 95 -39.481 -22.363 5.552 1.00 21.30 C ATOM 1454 C GLY B 95 -38.018 -21.821 5.521 1.00 17.68 C ATOM 1455 O GLY B 95 -37.415 -21.606 6.601 1.00 23.88 O ATOM 1456 H GLY B 95 -41.042 -20.876 5.280 1.00 0.00 H ATOM 1457 N GLU B 96 -37.438 -21.788 4.341 1.00 21.35 N ATOM 1458 CA GLU B 96 -36.050 -21.398 4.185 1.00 22.55 C ATOM 1459 C GLU B 96 -35.840 -20.873 2.805 1.00 21.44 C ATOM 1460 O GLU B 96 -36.510 -21.362 1.911 1.00 25.45 O ATOM 1461 CB GLU B 96 -35.075 -22.492 4.466 1.00 26.50 C ATOM 1462 CG GLU B 96 -35.015 -23.582 3.399 1.00 24.15 C ATOM 1463 CD GLU B 96 -34.053 -24.761 3.705 1.00 29.22 C ATOM 1464 OE1 GLU B 96 -33.400 -24.818 4.780 1.00 31.92 O ATOM 1465 OE2 GLU B 96 -33.865 -25.588 2.708 1.00 32.95 O ATOM 1466 H GLU B 96 -37.989 -22.048 3.498 1.00 0.00 H ATOM 1467 N VAL B 97 -34.911 -19.947 2.622 1.00 20.56 N ATOM 1468 CA VAL B 97 -34.675 -19.449 1.296 1.00 18.67 C ATOM 1469 C VAL B 97 -33.154 -19.182 1.084 1.00 18.59 C ATOM 1470 O VAL B 97 -32.515 -18.945 2.058 1.00 18.13 O ATOM 1471 CB VAL B 97 -35.403 -18.091 1.072 1.00 17.64 C ATOM 1472 CG1 VAL B 97 -35.031 -17.040 2.068 1.00 21.17 C ATOM 1473 CG2 VAL B 97 -35.320 -17.643 -0.304 1.00 22.08 C ATOM 1474 H VAL B 97 -34.360 -19.586 3.427 1.00 0.00 H ATOM 1475 N THR B 98 -32.685 -19.287 -0.178 1.00 16.85 N ATOM 1476 CA THR B 98 -31.160 -19.195 -0.456 1.00 17.48 C ATOM 1477 C THR B 98 -31.063 -17.937 -1.214 1.00 19.21 C ATOM 1478 O THR B 98 -31.622 -17.843 -2.337 1.00 21.08 O ATOM 1479 CB THR B 98 -30.686 -20.442 -1.255 1.00 23.89 C ATOM 1480 OG1 THR B 98 -30.952 -21.643 -0.564 1.00 26.38 O ATOM 1481 CG2 THR B 98 -29.078 -20.376 -1.420 1.00 24.12 C ATOM 1482 HG1 THR B 98 -30.479 -21.634 0.306 1.00 0.00 H ATOM 1483 H THR B 98 -33.348 -19.430 -0.967 1.00 0.00 H ATOM 1484 N ILE B 99 -30.176 -17.041 -0.775 1.00 19.84 N ATOM 1485 CA ILE B 99 -29.958 -15.709 -1.283 1.00 18.80 C ATOM 1486 C ILE B 99 -28.564 -15.890 -1.884 1.00 17.11 C ATOM 1487 O ILE B 99 -27.637 -16.312 -1.148 1.00 17.61 O ATOM 1488 CB ILE B 99 -29.994 -14.607 -0.189 1.00 20.16 C ATOM 1489 CG1 ILE B 99 -31.333 -14.620 0.677 1.00 24.91 C ATOM 1490 CG2 ILE B 99 -29.709 -13.262 -0.842 1.00 23.72 C ATOM 1491 CD1 ILE B 99 -32.581 -14.260 -0.098 1.00 26.95 C ATOM 1492 H ILE B 99 -29.576 -17.336 0.021 1.00 0.00 H ATOM 1493 N HIS B 100 -28.481 -15.695 -3.197 1.00 17.72 N ATOM 1494 CA HIS B 100 -27.201 -15.628 -3.954 1.00 19.69 C ATOM 1495 C HIS B 100 -26.760 -14.158 -3.989 1.00 19.08 C ATOM 1496 O HIS B 100 -27.546 -13.239 -4.212 1.00 21.02 O ATOM 1497 CB HIS B 100 -27.389 -16.063 -5.311 1.00 18.00 C ATOM 1498 CG HIS B 100 -27.950 -17.491 -5.385 1.00 20.78 C ATOM 1499 ND1 HIS B 100 -27.174 -18.542 -5.888 1.00 22.49 N ATOM 1500 CD2 HIS B 100 -29.163 -18.000 -5.059 1.00 21.81 C ATOM 1501 CE1 HIS B 100 -27.898 -19.659 -5.789 1.00 22.59 C ATOM 1502 NE2 HIS B 100 -29.096 -19.379 -5.341 1.00 22.22 N ATOM 1503 H HIS B 100 -29.367 -15.582 -3.729 1.00 0.00 H ATOM 1504 N TYR B 101 -25.446 -13.908 -3.744 1.00 17.42 N ATOM 1505 CA TYR B 101 -25.005 -12.499 -3.455 1.00 18.07 C ATOM 1506 C TYR B 101 -23.573 -12.338 -3.952 1.00 19.24 C ATOM 1507 O TYR B 101 -22.830 -13.316 -4.121 1.00 19.76 O ATOM 1508 CB TYR B 101 -25.120 -12.061 -1.946 1.00 20.84 C ATOM 1509 CG TYR B 101 -24.291 -12.956 -0.971 1.00 23.04 C ATOM 1510 CD1 TYR B 101 -22.981 -12.749 -0.735 1.00 26.94 C ATOM 1511 CD2 TYR B 101 -24.847 -14.107 -0.396 1.00 18.63 C ATOM 1512 CE1 TYR B 101 -22.217 -13.571 0.044 1.00 27.38 C ATOM 1513 CE2 TYR B 101 -24.101 -14.952 0.365 1.00 18.46 C ATOM 1514 CZ TYR B 101 -22.752 -14.735 0.547 1.00 23.49 C ATOM 1515 OH TYR B 101 -21.953 -15.509 1.343 1.00 30.46 O ATOM 1516 HH TYR B 101 -21.966 -16.442 1.013 1.00 0.00 H ATOM 1517 H TYR B 101 -24.753 -14.683 -3.756 1.00 0.00 H ATOM 1518 N ASN B 102 -23.273 -11.073 -4.215 1.00 23.39 N ATOM 1519 CA ASN B 102 -21.911 -10.571 -4.245 1.00 23.34 C ATOM 1520 C ASN B 102 -21.671 -9.699 -3.039 1.00 24.70 C ATOM 1521 O ASN B 102 -22.378 -8.747 -2.828 1.00 30.44 O ATOM 1522 CB ASN B 102 -21.724 -9.794 -5.492 1.00 21.30 C ATOM 1523 CG ASN B 102 -21.776 -10.608 -6.772 1.00 21.36 C ATOM 1524 OD1 ASN B 102 -21.343 -11.793 -6.741 1.00 27.55 O ATOM 1525 ND2 ASN B 102 -22.202 -10.040 -7.860 1.00 23.76 N ATOM 1526 HD22 ASN B 102 -22.549 -9.060 -7.833 1.00 0.00 H ATOM 1527 HD21 ASN B 102 -22.196 -10.565 -8.758 1.00 0.00 H ATOM 1528 H ASN B 102 -24.050 -10.409 -4.409 1.00 0.00 H ATOM 1529 N LYS B 103 -20.596 -9.979 -2.383 1.00 25.39 N ATOM 1530 CA LYS B 103 -20.118 -9.273 -1.128 1.00 24.76 C ATOM 1531 C LYS B 103 -19.467 -7.913 -1.432 1.00 34.93 C ATOM 1532 O LYS B 103 -18.546 -7.871 -2.338 1.00 29.02 O ATOM 1533 CB LYS B 103 -19.209 -10.214 -0.330 1.00 33.20 C ATOM 1534 CG LYS B 103 -19.708 -10.574 1.077 1.00 35.77 C ATOM 1535 CD LYS B 103 -19.559 -9.377 1.997 1.00 48.96 C ATOM 1536 CE LYS B 103 -19.948 -9.835 3.378 1.00 44.63 C ATOM 1537 NZ LYS B 103 -21.395 -9.858 3.577 1.00 33.26 N ATOM 1538 HZ1 LYS B 103 -21.778 -8.901 3.438 1.00 0.00 H ATOM 1539 HZ2 LYS B 103 -21.828 -10.509 2.891 1.00 0.00 H ATOM 1540 HZ3 LYS B 103 -21.606 -10.180 4.543 1.00 0.00 H ATOM 1541 H LYS B 103 -20.006 -10.755 -2.746 1.00 0.00 H ATOM 1542 N LEU B 104 -19.883 -6.918 -0.644 1.00 37.85 N ATOM 1543 CA LEU B 104 -19.457 -5.500 -0.712 1.00 42.18 C ATOM 1544 C LEU B 104 -17.993 -5.434 -0.521 1.00 40.34 C ATOM 1545 O LEU B 104 -17.472 -6.039 0.397 1.00 43.77 O ATOM 1546 CB LEU B 104 -20.099 -4.646 0.394 1.00 38.71 C ATOM 1547 CG LEU B 104 -19.790 -3.139 0.478 1.00 40.48 C ATOM 1548 CD1 LEU B 104 -20.339 -2.210 -0.635 1.00 36.30 C ATOM 1549 CD2 LEU B 104 -20.259 -2.603 1.780 1.00 43.86 C ATOM 1550 H LEU B 104 -20.576 -7.163 0.092 1.00 0.00 H TER 1551 LEU B 104 HETATM 1552 O HOH 1 -20.626 13.834 19.023 1.00 37.22 O HETATM 1553 O HOH 2 -32.511 17.735 1.828 1.00 33.41 O HETATM 1554 O HOH 3 -21.197 22.706 -0.778 1.00 31.22 O HETATM 1555 O HOH 4 -11.646 3.586 -9.442 1.00 32.79 O HETATM 1556 O HOH 5 -23.033 10.070 21.386 1.00 38.08 O HETATM 1557 O HOH 6 -29.282 -0.072 -8.378 1.00 22.25 O HETATM 1558 O HOH 7 -26.007 12.636 -11.408 1.00 31.84 O HETATM 1559 O HOH 8 -23.347 17.930 -6.525 1.00 66.33 O HETATM 1560 O HOH 9 -23.873 22.182 7.441 1.00 34.89 O HETATM 1561 O HOH 10 -30.789 18.129 10.908 1.00 43.86 O HETATM 1562 O HOH 11 -24.562 24.954 1.911 1.00 41.79 O HETATM 1563 O HOH 12 -25.687 6.143 12.351 1.00 23.95 O HETATM 1564 O HOH 13 -26.350 23.610 -3.454 1.00 32.65 O HETATM 1565 O HOH 14 -19.728 24.939 0.386 1.00 43.49 O HETATM 1566 O HOH 15 -18.705 15.672 -12.341 1.00 34.09 O HETATM 1567 O HOH 16 -28.873 9.376 11.902 1.00 32.24 O HETATM 1568 O HOH 17 -28.536 10.299 8.944 1.00 36.11 O HETATM 1569 O HOH 18 -16.892 1.481 -8.133 1.00 37.32 O HETATM 1570 O HOH 19 -31.499 1.924 -2.493 1.00 27.61 O HETATM 1571 O HOH 20 -20.534 -0.124 5.368 1.00 36.96 O HETATM 1572 O HOH 21 -10.700 7.600 -3.242 1.00 39.16 O HETATM 1573 O HOH 22 -28.230 10.774 -17.827 1.00 33.07 O HETATM 1574 O HOH 23 -14.488 13.375 3.288 1.00 30.48 O HETATM 1575 O HOH 24 -17.532 9.655 -15.030 1.00 48.70 O HETATM 1576 O HOH 25 -24.995 -4.485 -16.058 1.00 43.82 O HETATM 1577 O HOH 26 -21.056 4.861 -12.194 1.00 31.79 O HETATM 1578 O HOH 27 -17.075 12.662 13.409 1.00 28.37 O HETATM 1579 O HOH 28 -25.872 7.295 -8.698 1.00 28.66 O HETATM 1580 O HOH 29 -34.736 14.486 1.887 1.00 30.02 O HETATM 1581 O HOH 30 -32.301 2.682 5.171 1.00 32.96 O HETATM 1582 O HOH 31 -30.605 16.090 -5.864 1.00 30.33 O HETATM 1583 O HOH 32 -29.595 7.659 -11.364 1.00 36.15 O HETATM 1584 O HOH 33 -32.702 5.645 2.929 1.00 34.19 O HETATM 1585 O HOH 34 -27.470 22.265 0.578 1.00 39.63 O HETATM 1586 O HOH 35 -22.821 26.694 2.272 1.00 50.87 O HETATM 1587 O HOH 36 -21.121 -1.106 -7.449 1.00 40.95 O HETATM 1588 O HOH 37 -8.376 19.545 -1.458 1.00 37.71 O HETATM 1589 O HOH 38 -34.344 13.031 5.152 1.00 48.77 O HETATM 1590 O HOH 39 -29.598 18.513 -6.602 1.00 40.54 O HETATM 1591 O HOH 40 -14.241 17.459 -5.454 1.00 34.35 O HETATM 1592 O HOH 41 -32.479 6.866 -9.940 1.00 27.66 O HETATM 1593 O HOH 42 -19.098 5.662 14.305 1.00 41.07 O HETATM 1594 O HOH 43 -15.787 21.561 9.181 1.00 35.97 O HETATM 1595 O HOH 44 -13.422 11.265 12.619 1.00 33.24 O HETATM 1596 O HOH 45 -30.822 13.855 -7.331 1.00 30.47 O HETATM 1597 O HOH 46 -26.951 -0.099 2.770 1.00 27.89 O HETATM 1598 O HOH 47 -24.084 17.247 11.109 1.00 28.39 O HETATM 1599 O HOH 48 -7.223 18.946 -7.078 1.00 34.90 O HETATM 1600 O HOH 49 -19.316 -1.510 9.267 1.00 37.24 O HETATM 1601 O HOH 50 -28.819 4.704 7.650 1.00 24.02 O HETATM 1602 O HOH 51 -23.574 2.327 11.490 1.00 25.65 O HETATM 1603 O HOH 52 -26.145 0.630 7.010 1.00 24.55 O HETATM 1604 O HOH 53 -23.252 19.138 9.407 1.00 31.08 O HETATM 1605 O HOH 54 -17.887 4.548 -16.419 1.00 45.67 O HETATM 1606 O HOH 55 -32.418 3.012 -7.254 1.00 30.75 O HETATM 1607 O HOH 56 -12.239 11.913 -8.382 1.00 41.87 O HETATM 1608 O HOH 57 -14.301 15.824 14.755 1.00 51.24 O HETATM 1609 O HOH 58 -16.140 -2.326 -11.898 1.00 41.21 O HETATM 1610 O HOH 59 -17.240 3.404 -13.830 1.00 38.37 O HETATM 1611 O HOH 60 -27.436 13.377 6.754 1.00 23.81 O HETATM 1612 O HOH 61 -17.507 24.887 6.337 1.00 30.92 O HETATM 1613 O HOH 62 -18.671 26.709 5.587 1.00 53.60 O HETATM 1614 O HOH 63 -17.470 23.658 10.123 1.00 31.30 O HETATM 1615 O HOH 64 -17.707 23.364 -0.182 1.00 26.72 O HETATM 1616 O HOH 65 -35.936 17.510 -1.191 1.00 39.17 O HETATM 1617 O HOH 66 -31.203 10.716 -10.642 1.00 27.59 O HETATM 1618 O HOH 67 -20.554 14.642 14.592 1.00 37.64 O HETATM 1619 O HOH 68 -12.641 23.149 0.080 1.00 34.35 O HETATM 1620 O HOH 69 -29.995 21.990 1.382 1.00 33.95 O HETATM 1621 O HOH 70 -15.566 20.250 12.484 1.00 47.98 O HETATM 1622 O HOH 71 -27.011 15.452 -9.035 1.00 36.27 O HETATM 1623 O HOH 72 -30.854 25.694 -3.776 1.00 39.07 O HETATM 1624 O HOH 73 -27.160 -4.608 -14.881 1.00 26.56 O HETATM 1625 O HOH 74 -28.920 7.475 8.691 1.00 34.92 O HETATM 1626 O HOH 75 -22.284 3.055 13.422 1.00 28.78 O HETATM 1627 O HOH 76 -26.351 2.956 8.391 1.00 24.76 O HETATM 1628 O HOH 77 -28.337 21.530 4.036 1.00 31.73 O HETATM 1629 O HOH 78 -14.742 5.985 -14.332 1.00 38.76 O HETATM 1630 O HOH 79 -12.376 4.652 -14.203 1.00 43.91 O HETATM 1631 O HOH 80 -16.497 22.277 -5.212 1.00 35.88 O HETATM 1632 O HOH 81 -14.122 2.598 6.762 1.00 46.77 O HETATM 1633 O HOH 82 -11.822 19.520 6.586 1.00 39.43 O HETATM 1634 O HOH 83 -20.744 -2.240 -4.331 1.00 36.09 O HETATM 1635 O HOH 84 -20.482 12.999 -14.736 1.00 39.98 O HETATM 1636 O HOH 85 -32.648 5.379 -3.409 1.00 35.26 O HETATM 1637 O HOH 86 -26.400 9.977 -15.144 1.00 36.73 O HETATM 1638 O HOH 87 -33.368 19.109 -0.361 1.00 40.98 O HETATM 1639 O HOH 88 -23.711 6.527 -12.788 1.00 34.33 O HETATM 1640 O HOH 89 -28.878 9.058 -16.657 1.00 36.55 O HETATM 1641 O HOH 90 -27.778 20.357 10.763 1.00 41.87 O HETATM 1642 O HOH 91 -8.634 13.418 4.628 1.00 41.23 O HETATM 1643 O HOH 92 -18.374 14.634 14.444 1.00 47.77 O HETATM 1644 O HOH 93 -13.879 1.842 -7.184 1.00 38.20 O HETATM 1645 O HOH 94 -19.343 -0.820 11.645 1.00 42.88 O HETATM 1646 O HOH 95 -24.322 -1.062 8.588 1.00 36.39 O HETATM 1647 O HOH 96 -21.769 0.821 -15.726 1.00 47.58 O HETATM 1648 O HOH 97 -21.679 23.079 -3.739 1.00 46.67 O HETATM 1649 O HOH 98 -9.837 10.799 3.755 1.00 35.23 O HETATM 1650 O HOH 99 -12.193 21.913 7.791 1.00 34.28 O HETATM 1651 O HOH 100 -32.543 21.613 1.259 1.00 39.90 O HETATM 1652 O HOH 101 -26.127 18.267 12.660 1.00 28.80 O HETATM 1653 O HOH 102 -20.242 -9.088 -16.843 1.00 43.83 O HETATM 1654 O HOH 103 -16.458 16.338 -11.835 1.00 37.62 O HETATM 1655 O HOH 104 -13.061 11.198 -10.901 1.00 43.75 O HETATM 1656 O HOH 105 -35.581 10.892 -9.122 1.00 39.91 O HETATM 1657 O HOH 106 -23.968 5.820 -15.275 1.00 38.09 O HETATM 1658 O HOH 107 -11.441 1.522 -9.044 1.00 44.99 O HETATM 1659 O HOH 108 -24.999 -0.393 -2.969 1.00 34.79 O HETATM 1660 O HOH 109 -38.694 2.923 -1.368 1.00 37.41 O HETATM 1661 O HOH 110 -13.489 0.659 -1.994 1.00 40.59 O HETATM 1662 O HOH 111 -10.769 20.527 9.480 1.00 37.90 O HETATM 1663 O HOH 112 -25.177 7.672 -11.221 1.00 37.90 O HETATM 1664 O HOH 113 -35.198 3.927 -3.891 1.00 43.36 O HETATM 1665 O HOH 114 -28.038 7.453 -13.130 1.00 31.12 O HETATM 1666 O HOH 115 -30.402 20.432 -7.974 1.00 39.87 O HETATM 1667 O HOH 116 -37.783 6.410 -6.090 1.00 42.07 O HETATM 1668 O HOH 117 -18.983 19.188 -14.274 1.00 26.27 O HETATM 1669 O HOH 118 -23.534 22.003 11.801 1.00 42.64 O HETATM 1670 O HOH 119 -42.649 -16.607 -5.793 1.00 43.59 O HETATM 1671 O HOH 120 -40.636 -12.156 -11.012 1.00 49.00 O HETATM 1672 O HOH 121 -31.448 -0.013 -16.528 1.00 32.86 O HETATM 1673 O HOH 122 -31.700 -26.325 5.361 1.00 45.35 O HETATM 1674 O HOH 123 -45.551 -12.096 -4.160 1.00 35.01 O HETATM 1675 O HOH 124 -23.624 -13.400 -7.252 1.00 33.54 O HETATM 1676 O HOH 125 -30.021 -4.608 18.908 1.00 30.79 O HETATM 1677 O HOH 126 -37.567 2.429 -12.610 1.00 42.48 O HETATM 1678 O HOH 127 -45.571 -20.003 -1.362 1.00 35.89 O HETATM 1679 O HOH 128 -26.012 -10.773 9.059 1.00 27.24 O HETATM 1680 O HOH 129 -45.363 -13.798 3.682 1.00 44.53 O HETATM 1681 O HOH 130 -28.252 -12.225 -11.291 1.00 40.42 O HETATM 1682 O HOH 131 -25.410 0.093 -8.449 1.00 19.42 O HETATM 1683 O HOH 132 -37.789 -1.183 -8.125 1.00 38.58 O HETATM 1684 O HOH 133 -40.456 -10.723 1.210 1.00 40.69 O HETATM 1685 O HOH 134 -36.219 -5.640 -16.727 1.00 51.41 O HETATM 1686 O HOH 135 -39.953 -13.206 3.415 1.00 29.65 O HETATM 1687 O HOH 136 -39.860 -20.009 11.664 1.00 43.00 O HETATM 1688 O HOH 137 -27.997 -7.109 -8.821 1.00 24.03 O HETATM 1689 O HOH 138 -36.956 -23.107 -0.048 1.00 27.93 O HETATM 1690 O HOH 139 -18.351 -14.538 -1.499 1.00 34.63 O HETATM 1691 O HOH 140 -34.203 -0.073 5.232 1.00 31.90 O HETATM 1692 O HOH 141 -34.550 -25.212 0.139 1.00 31.25 O HETATM 1693 O HOH 142 -36.988 2.440 -7.228 1.00 46.07 O HETATM 1694 O HOH 143 -23.772 -18.062 11.634 1.00 37.72 O HETATM 1695 O HOH 144 -38.320 -21.557 9.136 1.00 27.74 O HETATM 1696 O HOH 145 -20.769 -6.732 3.306 1.00 31.34 O HETATM 1697 O HOH 146 -18.075 -17.588 -1.852 1.00 50.67 O HETATM 1698 O HOH 147 -36.245 -22.154 -7.479 1.00 36.22 O HETATM 1699 O HOH 148 -25.563 -4.720 7.588 1.00 33.13 O HETATM 1700 O HOH 149 -42.070 -11.704 -8.004 1.00 35.28 O HETATM 1701 O HOH 150 -29.009 -25.118 1.652 1.00 44.96 O HETATM 1702 O HOH 151 -26.905 -19.635 10.454 1.00 40.19 O HETATM 1703 O HOH 152 -24.006 -19.159 7.480 1.00 38.44 O HETATM 1704 O HOH 153 -23.965 -9.023 -10.505 1.00 39.50 O HETATM 1705 O HOH 154 -27.005 -13.585 6.828 1.00 24.70 O HETATM 1706 O HOH 155 -27.158 -10.159 -21.019 1.00 34.47 O HETATM 1707 O HOH 156 -24.816 -18.041 -7.225 1.00 33.49 O HETATM 1708 O HOH 157 -25.241 -9.418 12.054 1.00 27.31 O HETATM 1709 O HOH 158 -22.096 -18.289 2.512 1.00 31.89 O HETATM 1710 O HOH 159 -22.647 -1.736 -2.325 1.00 27.27 O HETATM 1711 O HOH 160 -39.329 -17.547 -5.408 1.00 43.44 O HETATM 1712 O HOH 161 -35.771 -5.948 14.164 1.00 42.92 O HETATM 1713 O HOH 162 -41.867 -19.519 6.039 1.00 19.80 O HETATM 1714 O HOH 163 -48.389 -10.958 -6.734 1.00 43.71 O HETATM 1715 O HOH 164 -33.642 2.011 -4.702 1.00 36.64 O HETATM 1716 O HOH 165 -21.824 -5.945 -6.116 1.00 33.69 O HETATM 1717 O HOH 166 -30.356 -17.208 11.526 1.00 26.06 O HETATM 1718 O HOH 167 -21.176 -19.171 -0.809 1.00 36.55 O HETATM 1719 O HOH 168 -26.769 -22.168 0.337 1.00 51.36 O HETATM 1720 O HOH 169 -28.396 -0.598 7.031 1.00 24.73 O HETATM 1721 O HOH 170 -35.163 -15.450 -13.184 1.00 43.40 O HETATM 1722 O HOH 171 -29.960 -22.480 7.140 1.00 29.80 O HETATM 1723 O HOH 172 -42.103 -23.119 0.298 1.00 31.19 O HETATM 1724 O HOH 173 -32.469 -3.278 13.461 1.00 28.19 O HETATM 1725 O HOH 174 -33.689 -12.778 19.141 1.00 44.61 O HETATM 1726 O HOH 175 -34.102 -12.767 -14.545 1.00 39.23 O HETATM 1727 O HOH 176 -24.432 -7.466 -11.733 1.00 47.11 O HETATM 1728 O HOH 177 -31.445 -10.070 21.572 1.00 39.92 O HETATM 1729 O HOH 178 -22.048 -2.621 5.429 1.00 36.47 O HETATM 1730 O HOH 179 -22.767 -11.274 -10.434 1.00 46.83 O HETATM 1731 O HOH 180 -33.598 -4.672 -12.223 1.00 41.41 O HETATM 1732 O HOH 181 -28.034 -3.057 8.303 1.00 22.41 O HETATM 1733 O HOH 182 -33.693 -22.528 -0.038 1.00 34.39 O HETATM 1734 O HOH 183 -44.451 -8.084 -2.427 1.00 40.54 O HETATM 1735 O HOH 184 -39.265 -16.983 14.586 1.00 37.07 O HETATM 1736 O HOH 185 -30.850 -19.104 9.231 1.00 23.72 O HETATM 1737 O HOH 186 -45.340 -7.488 -7.743 1.00 40.46 O HETATM 1738 O HOH 187 -30.825 -6.351 -13.150 1.00 36.87 O HETATM 1739 O HOH 188 -37.227 -12.875 13.815 1.00 42.71 O HETATM 1740 O HOH 189 -35.252 2.006 8.422 1.00 40.12 O HETATM 1741 O HOH 190 -43.429 -4.286 -9.527 1.00 36.27 O HETATM 1742 O HOH 191 -21.899 -3.145 -7.263 1.00 32.64 O HETATM 1743 O HOH 192 -34.385 1.948 -6.564 1.00 34.08 O HETATM 1744 O HOH 193 -47.174 -15.651 10.310 1.00 42.38 O HETATM 1745 O HOH 194 -34.762 -5.645 17.885 1.00 36.35 O HETATM 1746 O HOH 195 -23.669 -15.780 -6.169 1.00 29.50 O HETATM 1747 O HOH 196 -26.155 -21.914 3.808 1.00 29.55 O HETATM 1748 O HOH 197 -37.376 -23.777 -4.701 1.00 36.36 O HETATM 1749 O HOH 198 -31.029 -26.576 2.138 1.00 48.20 O HETATM 1750 O HOH 199 -36.892 -24.980 6.418 1.00 30.49 O HETATM 1751 O HOH 200 -19.494 -12.780 4.997 1.00 41.71 O HETATM 1752 O HOH 201 -27.898 -6.893 -20.074 1.00 45.70 O HETATM 1753 O HOH 202 -21.956 -5.423 -3.655 1.00 43.52 O HETATM 1754 O HOH 203 -38.058 -21.606 -5.281 1.00 34.42 O HETATM 1755 O HOH 204 -26.261 -20.645 6.675 1.00 32.67 O HETATM 1756 O HOH 205 -37.183 -23.334 10.325 1.00 41.54 O HETATM 1757 O HOH 206 -40.594 -1.841 -6.966 1.00 31.16 O HETATM 1758 O HOH 207 -40.617 -2.733 6.849 1.00 53.19 O HETATM 1759 O HOH 208 -34.812 -18.749 11.617 1.00 30.48 O HETATM 1760 O HOH 209 -30.832 -7.431 2.776 1.00 46.54 O HETATM 1761 O HOH 210 -20.062 -8.146 6.117 1.00 35.45 O HETATM 1762 O HOH 211 -32.281 4.156 -10.385 1.00 44.73 O HETATM 1763 O HOH 212 -37.380 -9.579 -15.417 1.00 44.33 O HETATM 1764 O HOH 213 -42.155 -21.678 7.660 1.00 34.66 O HETATM 1765 O HOH 214 -37.726 -17.422 -11.320 1.00 40.35 O HETATM 1766 O HOH 215 -35.264 -27.488 5.858 1.00 39.36 O HETATM 1767 O HOH 216 -22.207 -7.222 -11.121 1.00 55.78 O HETATM 1768 O HOH 217 -46.004 -14.855 0.223 1.00 45.53 O HETATM 1769 O HOH 218 -28.254 -18.335 12.449 1.00 34.59 O HETATM 1770 O HOH 219 -28.730 -23.940 -2.423 1.00 43.10 O HETATM 1771 O HOH 220 -35.279 -14.847 14.506 1.00 61.59 O HETATM 1772 O HOH 221 -32.559 -6.711 -17.483 1.00 44.67 O HETATM 1773 O HOH 222 -42.780 -20.607 9.768 1.00 39.55 O HETATM 1774 O HOH 223 -41.946 -22.524 -3.198 1.00 38.64 O HETATM 1775 O HOH 224 -32.010 8.428 -17.276 1.00 43.36 O HETATM 1776 O HOH 225 -18.858 -13.524 2.641 1.00 65.07 O HETATM 1777 O HOH 226 -46.861 -12.701 -8.180 1.00 34.64 O HETATM 1778 O HOH 227 -31.328 -26.038 -0.381 1.00 41.58 O HETATM 1779 O HOH 228 -42.617 -1.547 -8.230 1.00 41.83 O HETATM 1780 O HOH 229 -35.120 9.344 -17.370 1.00 47.77 O HETATM 1781 O HOH 230 -28.679 -7.633 -11.456 1.00 33.27 O HETATM 1782 O HOH 231 -33.397 3.048 11.436 1.00 47.19 O HETATM 1783 O HOH 232 -43.773 -6.035 -1.490 1.00 61.80 O HETATM 1784 O HOH 233 -29.338 0.370 -2.783 1.00 37.19 O HETATM 1785 O HOH 234 -44.357 -9.744 -8.744 1.00 41.22 O HETATM 1786 O HOH 235 -40.727 -23.360 8.910 1.00 32.09 O HETATM 1787 O HOH 236 -38.521 -13.868 15.803 1.00 38.64 O HETATM 1788 O HOH 237 -33.510 -3.860 -16.561 1.00 33.97 O HETATM 1789 O HOH 238 -32.397 -17.863 12.724 1.00 24.77 O HETATM 1790 O HOH 239 -35.143 -2.879 13.818 1.00 34.50 O HETATM 1791 O HOH 240 -30.591 -1.992 -17.671 1.00 37.11 O HETATM 1792 O HOH 241 -28.406 -6.295 -14.254 1.00 42.40 O HETATM 1793 O HOH 242 -26.167 -22.741 7.665 1.00 33.65 O HETATM 1794 O HOH 243 -34.944 -9.551 -18.831 1.00 48.47 O HETATM 1795 O HOH 244 -36.593 -17.272 14.020 1.00 39.07 O HETATM 1796 O HOH 245 -34.567 -21.266 12.743 1.00 36.21 O HETATM 1797 O HOH 246 -41.656 -0.377 -11.767 1.00 44.91 O HETATM 1798 O HOH 247 -39.242 4.809 -7.474 1.00 34.88 O HETATM 1799 N1 BQA A 248 -13.991 5.650 6.941 1.00 0.25 N HETATM 1800 C16 BQA A 248 -13.680 5.574 8.385 1.00 0.02 C HETATM 1801 C17 BQA A 248 -14.730 4.914 9.279 1.00 0.04 C HETATM 1802 C22 BQA A 248 -15.634 5.663 10.254 1.00 0.05 C HETATM 1803 C23 BQA A 248 -15.891 7.155 10.229 1.00 0.37 C HETATM 1804 F2 BQA A 248 -16.856 7.455 11.110 1.00 -0.23 F HETATM 1805 F BQA A 248 -16.176 7.580 8.993 1.00 -0.23 F HETATM 1806 F1 BQA A 248 -14.772 7.744 10.687 1.00 -0.23 F HETATM 1807 C21 BQA A 248 -16.398 4.916 11.146 1.00 -0.04 C HETATM 1808 C20 BQA A 248 -16.214 3.552 11.247 1.00 -0.04 C HETATM 1809 C19 BQA A 248 -15.243 2.900 10.514 1.00 -0.04 C HETATM 1810 C18 BQA A 248 -14.435 3.593 9.623 1.00 -0.02 C HETATM 1811 H11 BQA A 248 -13.569 3.105 9.191 1.00 0.06 H HETATM 1812 H10 BQA A 248 -15.109 1.831 10.636 1.00 0.08 H HETATM 1813 H9 BQA A 248 -16.846 2.980 11.917 1.00 0.06 H HETATM 1814 H8 BQA A 248 -17.141 5.408 11.764 1.00 0.08 H HETATM 1815 H12 BQA A 248 -13.531 6.601 8.748 1.00 0.11 H HETATM 1816 H13 BQA A 248 -12.744 5.007 8.495 1.00 0.11 H HETATM 1817 C15 BQA A 248 -15.369 5.963 6.490 1.00 -0.04 C HETATM 1818 C14 BQA A 248 -15.522 5.471 5.062 1.00 -0.02 C HETATM 1819 C7 BQA A 248 -14.490 6.021 4.044 1.00 0.05 C HETATM 1820 C25 BQA A 248 -13.131 5.549 4.615 1.00 -0.02 C HETATM 1821 C24 BQA A 248 -12.873 5.997 6.049 1.00 -0.04 C HETATM 1822 H18 BQA A 248 -11.960 5.506 6.416 1.00 0.08 H HETATM 1823 H19 BQA A 248 -12.733 7.088 6.061 1.00 0.08 H HETATM 1824 H20 BQA A 248 -12.329 5.950 3.978 1.00 0.02 H HETATM 1825 H21 BQA A 248 -13.107 4.450 4.586 1.00 0.02 H HETATM 1826 C8 BQA A 248 -14.712 5.312 2.736 1.00 -0.04 C HETATM 1827 C9 BQA A 248 -15.794 4.397 2.392 1.00 -0.04 C HETATM 1828 C10 BQA A 248 -15.968 3.819 1.143 1.00 -0.02 C HETATM 1829 C11 BQA A 248 -14.992 4.136 0.233 1.00 0.04 C HETATM 1830 C12 BQA A 248 -13.970 4.989 0.535 1.00 -0.02 C HETATM 1831 C13 BQA A 248 -13.830 5.587 1.688 1.00 -0.04 C HETATM 1832 H22 BQA A 248 -13.026 6.300 1.832 1.00 0.09 H HETATM 1833 H23 BQA A 248 -13.227 5.183 -0.231 1.00 0.07 H HETATM 1834 BR BQA A 248 -14.857 3.520 -1.514 1.00 -0.02 BR HETATM 1835 H7 BQA A 248 -16.805 3.172 0.906 1.00 0.07 H HETATM 1836 H6 BQA A 248 -16.512 4.151 3.166 1.00 0.09 H HETATM 1837 C BQA A 248 -14.522 7.516 3.827 1.00 0.17 C HETATM 1838 O BQA A 248 -13.469 8.131 3.547 1.00 -0.36 O HETATM 1839 N BQA A 248 -15.703 8.185 3.870 1.00 -0.28 N HETATM 1840 C1 BQA A 248 -15.832 9.532 3.410 1.00 0.09 C HETATM 1841 C2 BQA A 248 -16.793 9.670 2.268 1.00 -0.01 C HETATM 1842 C3 BQA A 248 -16.433 8.826 1.023 1.00 -0.04 C HETATM 1843 C4 BQA A 248 -17.644 8.498 0.217 1.00 -0.05 C HETATM 1844 C5 BQA A 248 -16.957 7.425 1.019 1.00 -0.05 C HETATM 1845 H27 BQA A 248 -16.396 6.628 0.508 1.00 0.03 H HETATM 1846 H28 BQA A 248 -17.440 7.015 1.918 1.00 0.03 H HETATM 1847 H4 BQA A 248 -17.587 8.485 -0.881 1.00 0.03 H HETATM 1848 H5 BQA A 248 -18.631 8.872 0.529 1.00 0.03 H HETATM 1849 H26 BQA A 248 -15.461 9.092 0.583 1.00 0.03 H HETATM 1850 H2 BQA A 248 -16.822 10.728 1.969 1.00 0.03 H HETATM 1851 H3 BQA A 248 -17.789 9.360 2.617 1.00 0.03 H HETATM 1852 C6 BQA A 248 -16.381 10.430 4.430 1.00 0.06 C HETATM 1853 O2 BQA A 248 -16.253 11.681 4.274 1.00 -0.57 O HETATM 1854 O1 BQA A 248 -16.973 9.815 5.486 1.00 -0.57 O HETATM 1855 H25 BQA A 248 -14.836 9.882 3.102 1.00 0.07 H HETATM 1856 H24 BQA A 248 -16.509 7.720 4.236 1.00 0.19 H HETATM 1857 H16 BQA A 248 -15.435 4.375 5.072 1.00 0.02 H HETATM 1858 H17 BQA A 248 -16.525 5.756 4.713 1.00 0.02 H HETATM 1859 H14 BQA A 248 -15.536 7.049 6.530 1.00 0.08 H HETATM 1860 H15 BQA A 248 -16.098 5.456 7.139 1.00 0.08 H HETATM 1861 H1 BQA A 248 -14.017 4.659 6.756 1.00 0.21 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 234 233 1000 CONECT 772 773 780 781 782 CONECT 780 772 CONECT 781 772 CONECT 782 772 CONECT 1000 234 999 CONECT 1799 1800 1817 1821 1861 CONECT 1800 1799 1801 1815 1816 CONECT 1801 1800 1802 1810 CONECT 1802 1801 1803 1807 CONECT 1803 1802 1804 1805 1806 CONECT 1804 1803 CONECT 1805 1803 CONECT 1806 1803 CONECT 1807 1802 1808 1814 CONECT 1808 1807 1809 1813 CONECT 1809 1808 1810 1812 CONECT 1810 1801 1809 1811 CONECT 1811 1810 CONECT 1812 1809 CONECT 1813 1808 CONECT 1814 1807 CONECT 1815 1800 CONECT 1816 1800 CONECT 1817 1799 1818 1859 1860 CONECT 1818 1817 1819 1857 1858 CONECT 1819 1818 1820 1826 1837 CONECT 1820 1819 1821 1824 1825 CONECT 1821 1799 1820 1822 1823 CONECT 1822 1821 CONECT 1823 1821 CONECT 1824 1820 CONECT 1825 1820 CONECT 1826 1819 1827 1831 CONECT 1827 1826 1828 1836 CONECT 1828 1827 1829 1835 CONECT 1829 1828 1830 1834 CONECT 1830 1829 1831 1833 CONECT 1831 1826 1830 1832 CONECT 1832 1831 CONECT 1833 1830 CONECT 1834 1829 CONECT 1835 1828 CONECT 1836 1827 CONECT 1837 1819 1838 1839 CONECT 1838 1837 CONECT 1839 1837 1840 1856 CONECT 1840 1839 1841 1852 1855 CONECT 1841 1840 1842 1850 1851 CONECT 1842 1841 1843 1844 1849 CONECT 1843 1842 1844 1847 1848 CONECT 1844 1842 1843 1845 1846 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1843 CONECT 1848 1843 CONECT 1849 1842 CONECT 1850 1841 CONECT 1851 1841 CONECT 1852 1840 1853 1854 CONECT 1853 1852 CONECT 1854 1852 CONECT 1855 1840 CONECT 1856 1839 CONECT 1857 1818 CONECT 1858 1818 CONECT 1859 1817 CONECT 1860 1817 CONECT 1861 1799 MASTER 0 0 0 0 0 0 0 0 1859 2 73 14 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6ar4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6bjo
RCSB PDB
PDBbind
125aa, >6BJO_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6ar4
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein interacting with C kinase
Ligand Name
BQA
EC.Number
E.C.-.-.-.-
Resolution
1.69(Å)
Affinity (Kd/Ki/IC50)
IC50=0.573uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Sci Rep Vol. 8: pp. 13438-13438
Ligand Properties
Formula
C
2
6
H
2
9
BrF
3
N
2
O
3
Molecular Weight
554.419
Exact Mass
553.131
No. of atoms
64
No. of bonds
67
Polar Surface Area
70.84
LOGP Value
4.29 (
Computed with XLOGP3
)
5.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
OC(=O)[C@@H](NC(=O)[C@@]1(CC[N@@H+](CC1)Cc1ccccc1C(F)(F)F)c1ccc(cc1)Br)CC1CC1
InChI String
InChI=1S/C26H28BrF3N2O3/c27-20-9-7-19(8-10-20)25(24(35)31-22(23(33)34)15-17-5-6-17)11-13-32(14-12-25)16-18-3-1-2-4-21(18)26(28,29)30/h1-4,7-10,17,22H,5-6,11-16H2,(H,31,35)(H,33,34)/p+1/t22-/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):
Q9NRD5
Entrez Gene ID
NCBI Entrez Gene ID:
9463
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓