Browse entries in the PDBbind-CN Database
HEADER 4R4T_COMPLEX COMPND 4R4T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 122 SER HIS MET VAL GLY GLN LEU SER ARG GLY ALA ILE ALA SEQRES 2 A 122 ALA ILE MET GLN LYS GLY ASP THR ASN ILE LYS PRO ILE SEQRES 3 A 122 LEU GLN VAL ILE ASN ILE ARG PRO ILE THR THR GLY ASN SEQRES 4 A 122 SER PRO PRO ARG TYR ARG LEU LEU MET SER ASP GLY LEU SEQRES 5 A 122 ASN THR LEU SER SER PHE MET LEU ALA THR GLN LEU ASN SEQRES 6 A 122 PRO LEU VAL GLU GLU GLU GLN LEU SER SER ASN CYS VAL SEQRES 7 A 122 CYS GLN ILE HIS ARG PHE ILE VAL ASN THR LEU LYS ASP SEQRES 8 A 122 GLY ARG ARG VAL VAL ILE LEU MET GLU LEU GLU VAL LEU SEQRES 9 A 122 LYS SER ALA GLU ALA VAL GLY VAL LYS ILE GLY ASN PRO SEQRES 10 A 122 VAL PRO TYR ASN GLU HET UNN A 243 57 ATOM 1 N SER A -1 -9.937 -21.430 10.816 1.00 32.14 N ATOM 2 CA SER A -1 -10.993 -21.852 11.777 1.00 36.57 C ATOM 3 C SER A -1 -10.717 -21.087 13.031 1.00 32.75 C ATOM 4 O SER A -1 -9.569 -21.053 13.468 1.00 34.17 O ATOM 5 CB SER A -1 -10.880 -23.324 12.092 1.00 39.04 C ATOM 6 OG SER A -1 -11.923 -23.750 12.951 1.00 41.69 O ATOM 7 HG SER A -1 -11.821 -24.717 13.138 1.00 0.00 H ATOM 8 HN3 SER A -1 -9.002 -21.663 11.206 1.00 0.00 H ATOM 9 HN2 SER A -1 -10.003 -20.404 10.659 1.00 0.00 H ATOM 10 HN1 SER A -1 -10.071 -21.929 9.914 1.00 0.00 H ATOM 11 N HIS A 0 -11.755 -20.499 13.616 1.00 28.08 N ATOM 12 CA HIS A 0 -11.556 -19.366 14.509 1.00 23.71 C ATOM 13 C HIS A 0 -10.727 -18.401 13.659 1.00 17.87 C ATOM 14 O HIS A 0 -9.576 -18.129 13.970 1.00 17.52 O ATOM 15 CB HIS A 0 -10.835 -19.826 15.785 1.00 24.34 C ATOM 16 CG HIS A 0 -10.404 -18.715 16.687 1.00 26.79 C ATOM 17 ND1 HIS A 0 -11.280 -17.765 17.167 1.00 28.29 N ATOM 18 CD2 HIS A 0 -9.195 -18.420 17.223 1.00 26.73 C ATOM 19 CE1 HIS A 0 -10.627 -16.927 17.953 1.00 28.34 C ATOM 20 NE2 HIS A 0 -9.363 -17.302 18.001 1.00 27.96 N ATOM 21 H HIS A 0 -12.717 -20.851 13.435 1.00 0.00 H ATOM 22 N MET A 1 -11.289 -17.944 12.539 1.00 16.70 N ATOM 23 CA MET A 1 -10.461 -17.266 11.540 1.00 13.53 C ATOM 24 C MET A 1 -9.789 -16.010 12.074 1.00 11.71 C ATOM 25 O MET A 1 -8.681 -15.663 11.657 1.00 12.51 O ATOM 26 CB MET A 1 -11.260 -16.937 10.287 1.00 14.06 C ATOM 27 CG MET A 1 -11.610 -18.181 9.484 1.00 16.21 C ATOM 28 SD MET A 1 -12.255 -17.854 7.848 1.00 17.67 S ATOM 29 CE MET A 1 -13.852 -17.203 8.247 1.00 18.11 C ATOM 30 H MET A 1 -12.309 -18.068 12.376 1.00 0.00 H ATOM 31 N VAL A 2 -10.444 -15.297 12.987 1.00 11.51 N ATOM 32 CA VAL A 2 -9.876 -14.055 13.476 1.00 11.60 C ATOM 33 C VAL A 2 -8.586 -14.304 14.290 1.00 11.95 C ATOM 34 O VAL A 2 -7.761 -13.398 14.461 1.00 12.22 O ATOM 35 CB VAL A 2 -10.917 -13.250 14.264 1.00 13.31 C ATOM 36 CG1 VAL A 2 -11.066 -13.764 15.694 1.00 14.81 C ATOM 37 CG2 VAL A 2 -10.554 -11.793 14.261 1.00 16.89 C ATOM 38 H VAL A 2 -11.361 -15.629 13.349 1.00 0.00 H ATOM 39 N GLY A 3 -8.401 -15.539 14.765 1.00 11.73 N ATOM 40 CA GLY A 3 -7.170 -15.901 15.439 1.00 11.99 C ATOM 41 C GLY A 3 -5.957 -15.879 14.518 1.00 11.24 C ATOM 42 O GLY A 3 -4.826 -15.952 15.000 1.00 13.99 O ATOM 43 H GLY A 3 -9.151 -16.250 14.650 1.00 0.00 H ATOM 44 N GLN A 4 -6.176 -15.771 13.210 1.00 10.93 N ATOM 45 CA GLN A 4 -5.094 -15.653 12.244 1.00 11.26 C ATOM 46 C GLN A 4 -4.547 -14.241 12.126 1.00 9.63 C ATOM 47 O GLN A 4 -3.501 -14.043 11.499 1.00 11.39 O ATOM 48 CB GLN A 4 -5.578 -16.075 10.855 1.00 15.10 C ATOM 49 CG GLN A 4 -5.983 -17.520 10.760 1.00 20.90 C ATOM 50 CD GLN A 4 -4.782 -18.435 10.701 1.00 28.33 C ATOM 51 OE1 GLN A 4 -4.020 -18.425 9.732 1.00 32.52 O ATOM 52 NE2 GLN A 4 -4.595 -19.215 11.744 1.00 28.99 N ATOM 53 HE22 GLN A 4 -5.265 -19.189 12.539 1.00 0.00 H ATOM 54 HE21 GLN A 4 -3.777 -19.857 11.773 1.00 0.00 H ATOM 55 H GLN A 4 -7.157 -15.771 12.865 1.00 0.00 H ATOM 56 N LEU A 5 -5.246 -13.254 12.685 1.00 9.00 N ATOM 57 CA LEU A 5 -4.883 -11.838 12.540 1.00 9.07 C ATOM 58 C LEU A 5 -4.392 -11.247 13.850 1.00 8.35 C ATOM 59 O LEU A 5 -4.816 -11.665 14.925 1.00 9.25 O ATOM 60 CB LEU A 5 -6.064 -11.024 12.017 1.00 9.40 C ATOM 61 CG LEU A 5 -6.713 -11.498 10.719 1.00 10.16 C ATOM 62 CD1 LEU A 5 -7.858 -10.562 10.321 1.00 11.22 C ATOM 63 CD2 LEU A 5 -5.691 -11.635 9.567 1.00 10.62 C ATOM 64 H LEU A 5 -6.086 -13.497 13.249 1.00 0.00 H ATOM 65 N SER A 6 -3.494 -10.276 13.755 1.00 8.47 N ATOM 66 CA SER A 6 -2.919 -9.632 14.926 1.00 8.63 C ATOM 67 C SER A 6 -3.880 -8.636 15.592 1.00 8.42 C ATOM 68 O SER A 6 -3.683 -7.421 15.533 1.00 10.11 O ATOM 69 CB SER A 6 -1.640 -8.908 14.547 1.00 9.90 C ATOM 70 OG SER A 6 -0.611 -9.827 14.219 1.00 9.31 O ATOM 71 HG SER A 6 0.210 -9.329 13.976 1.00 0.00 H ATOM 72 H SER A 6 -3.190 -9.964 12.811 1.00 0.00 H ATOM 73 N ARG A 7 -4.920 -9.163 16.233 1.00 9.49 N ATOM 74 CA ARG A 7 -5.899 -8.319 16.896 1.00 10.37 C ATOM 75 C ARG A 7 -5.226 -7.341 17.861 1.00 10.46 C ATOM 76 O ARG A 7 -4.456 -7.749 18.719 1.00 11.95 O ATOM 77 CB ARG A 7 -6.931 -9.180 17.639 1.00 11.45 C ATOM 78 CG ARG A 7 -7.880 -9.943 16.719 1.00 10.45 C ATOM 79 CD ARG A 7 -8.834 -10.817 17.518 1.00 12.28 C ATOM 80 NE ARG A 7 -8.181 -12.037 17.974 1.00 13.50 N ATOM 81 CZ ARG A 7 -8.765 -12.986 18.710 1.00 15.47 C ATOM 82 NH1 ARG A 7 -10.009 -12.848 19.123 1.00 17.50 N ATOM 83 NH2 ARG A 7 -8.097 -14.086 19.027 1.00 17.79 N ATOM 84 HE ARG A 7 -7.186 -12.179 17.706 1.00 0.00 H ATOM 85 HH12 ARG A 7 -10.453 -13.594 19.696 1.00 0.00 H ATOM 86 HH11 ARG A 7 -10.547 -11.993 18.876 1.00 0.00 H ATOM 87 HH22 ARG A 7 -8.553 -14.824 19.600 1.00 0.00 H ATOM 88 HH21 ARG A 7 -7.117 -14.211 18.702 1.00 0.00 H ATOM 89 H ARG A 7 -5.034 -10.196 16.260 1.00 0.00 H ATOM 90 N GLY A 8 -5.538 -6.058 17.718 1.00 11.25 N ATOM 91 CA GLY A 8 -4.945 -5.012 18.544 1.00 11.92 C ATOM 92 C GLY A 8 -3.758 -4.308 17.903 1.00 11.98 C ATOM 93 O GLY A 8 -3.295 -3.281 18.417 1.00 14.46 O ATOM 94 H GLY A 8 -6.231 -5.789 16.990 1.00 0.00 H ATOM 95 N ALA A 9 -3.274 -4.813 16.772 1.00 10.91 N ATOM 96 CA ALA A 9 -2.129 -4.169 16.126 1.00 11.67 C ATOM 97 C ALA A 9 -2.425 -2.768 15.593 1.00 11.55 C ATOM 98 O ALA A 9 -1.568 -1.897 15.641 1.00 13.32 O ATOM 99 CB ALA A 9 -1.570 -5.038 15.022 1.00 11.87 C ATOM 100 H ALA A 9 -3.706 -5.659 16.349 1.00 0.00 H ATOM 101 N ILE A 10 -3.617 -2.542 15.077 1.00 11.76 N ATOM 102 CA ILE A 10 -3.931 -1.213 14.561 1.00 13.75 C ATOM 103 C ILE A 10 -3.872 -0.170 15.684 1.00 13.53 C ATOM 104 O ILE A 10 -3.252 0.884 15.529 1.00 16.42 O ATOM 105 CB ILE A 10 -5.274 -1.228 13.811 1.00 13.43 C ATOM 106 CG1 ILE A 10 -5.032 -1.844 12.434 1.00 15.24 C ATOM 107 CG2 ILE A 10 -5.861 0.175 13.633 1.00 15.10 C ATOM 108 CD1 ILE A 10 -6.268 -2.236 11.723 1.00 15.73 C ATOM 109 H ILE A 10 -4.326 -3.302 15.038 1.00 0.00 H ATOM 110 N ALA A 11 -4.494 -0.460 16.821 1.00 15.44 N ATOM 111 CA ALA A 11 -4.411 0.453 17.948 1.00 18.42 C ATOM 112 C ALA A 11 -2.970 0.635 18.424 1.00 20.31 C ATOM 113 O ALA A 11 -2.598 1.727 18.827 1.00 23.28 O ATOM 114 CB ALA A 11 -5.308 -0.009 19.092 1.00 18.20 C ATOM 115 H ALA A 11 -5.041 -1.341 16.905 1.00 0.00 H ATOM 116 N ALA A 12 -2.157 -0.414 18.392 1.00 17.66 N ATOM 117 CA ALA A 12 -0.760 -0.293 18.827 1.00 18.20 C ATOM 118 C ALA A 12 0.022 0.628 17.886 1.00 21.65 C ATOM 119 O ALA A 12 0.813 1.453 18.320 1.00 23.35 O ATOM 120 CB ALA A 12 -0.122 -1.659 18.893 1.00 19.79 C ATOM 121 H ALA A 12 -2.513 -1.331 18.055 1.00 0.00 H ATOM 122 N ILE A 13 -0.217 0.503 16.589 1.00 18.40 N ATOM 123 CA ILE A 13 0.460 1.359 15.628 1.00 21.25 C ATOM 124 C ILE A 13 0.033 2.810 15.780 1.00 22.90 C ATOM 125 O ILE A 13 0.875 3.705 15.763 1.00 27.44 O ATOM 126 CB ILE A 13 0.185 0.913 14.183 1.00 20.72 C ATOM 127 CG1 ILE A 13 0.830 -0.451 13.921 1.00 20.39 C ATOM 128 CG2 ILE A 13 0.737 1.951 13.175 1.00 22.69 C ATOM 129 CD1 ILE A 13 0.315 -1.120 12.673 1.00 23.27 C ATOM 130 H ILE A 13 -0.894 -0.213 16.256 1.00 0.00 H ATOM 131 N MET A 14 -1.271 3.032 15.934 1.00 23.81 N ATOM 132 CA MET A 14 -1.761 4.402 15.921 1.00 25.60 C ATOM 133 C MET A 14 -1.691 5.074 17.311 1.00 28.80 C ATOM 134 O MET A 14 -1.552 6.301 17.368 1.00 32.82 O ATOM 135 CB MET A 14 -3.164 4.491 15.290 1.00 22.10 C ATOM 136 CG MET A 14 -3.271 3.922 13.854 1.00 21.59 C ATOM 137 SD MET A 14 -2.621 4.934 12.490 1.00 25.52 S ATOM 138 CE MET A 14 -3.909 6.182 12.334 1.00 25.90 C ATOM 139 H MET A 14 -1.930 2.237 16.062 1.00 0.00 H ATOM 140 N GLN A 15 -1.735 4.306 18.405 1.00 29.71 N ATOM 141 CA GLN A 15 -1.695 4.880 19.768 1.00 32.41 C ATOM 142 C GLN A 15 -0.325 4.852 20.431 1.00 34.33 C ATOM 143 O GLN A 15 0.136 5.870 20.955 1.00 37.82 O ATOM 144 CB GLN A 15 -2.672 4.154 20.702 1.00 35.50 C ATOM 145 CG GLN A 15 -4.119 4.264 20.298 1.00 39.13 C ATOM 146 CD GLN A 15 -5.022 3.274 21.021 1.00 43.41 C ATOM 147 OE1 GLN A 15 -4.614 2.624 21.983 1.00 45.24 O ATOM 148 NE2 GLN A 15 -6.257 3.153 20.551 1.00 43.09 N ATOM 149 HE22 GLN A 15 -6.561 3.722 19.735 1.00 0.00 H ATOM 150 HE21 GLN A 15 -6.921 2.489 20.998 1.00 0.00 H ATOM 151 H GLN A 15 -1.799 3.274 18.294 1.00 0.00 H ATOM 152 N LYS A 16 0.293 3.677 20.460 1.00 32.84 N ATOM 153 CA LYS A 16 1.576 3.507 21.131 1.00 34.25 C ATOM 154 C LYS A 16 2.723 3.953 20.240 1.00 32.51 C ATOM 155 O LYS A 16 3.803 4.271 20.728 1.00 32.95 O ATOM 156 CB LYS A 16 1.795 2.044 21.530 1.00 36.99 C ATOM 157 CG LYS A 16 1.066 1.602 22.797 1.00 39.90 C ATOM 158 CD LYS A 16 1.427 0.164 23.175 1.00 42.12 C ATOM 159 CE LYS A 16 0.841 -0.849 22.196 1.00 42.86 C ATOM 160 NZ LYS A 16 1.254 -2.250 22.494 1.00 43.54 N ATOM 161 HZ1 LYS A 16 2.290 -2.323 22.444 1.00 0.00 H ATOM 162 HZ2 LYS A 16 0.933 -2.509 23.449 1.00 0.00 H ATOM 163 HZ3 LYS A 16 0.826 -2.892 21.797 1.00 0.00 H ATOM 164 H LYS A 16 -0.148 2.859 19.993 1.00 0.00 H ATOM 165 N GLY A 17 2.497 3.968 18.933 1.00 31.70 N ATOM 166 CA GLY A 17 3.566 4.267 17.994 1.00 31.13 C ATOM 167 C GLY A 17 4.558 3.129 17.918 1.00 28.71 C ATOM 168 O GLY A 17 5.750 3.321 17.673 1.00 31.47 O ATOM 169 H GLY A 17 1.542 3.763 18.575 1.00 0.00 H ATOM 170 N ASP A 18 4.046 1.928 18.136 1.00 25.61 N ATOM 171 CA ASP A 18 4.833 0.712 18.031 1.00 26.55 C ATOM 172 C ASP A 18 5.189 0.426 16.568 1.00 25.61 C ATOM 173 O ASP A 18 4.303 0.352 15.727 1.00 28.01 O ATOM 174 CB ASP A 18 4.017 -0.453 18.592 1.00 29.10 C ATOM 175 CG ASP A 18 4.856 -1.684 18.854 1.00 32.55 C ATOM 176 OD1 ASP A 18 5.803 -1.947 18.081 1.00 32.03 O ATOM 177 OD2 ASP A 18 4.556 -2.391 19.838 1.00 34.27 O ATOM 178 H ASP A 18 3.041 1.852 18.392 1.00 0.00 H ATOM 179 N THR A 19 6.484 0.260 16.286 1.00 24.72 N ATOM 180 CA THR A 19 6.975 -0.013 14.929 1.00 29.54 C ATOM 181 C THR A 19 7.861 -1.254 14.841 1.00 27.86 C ATOM 182 O THR A 19 8.352 -1.602 13.765 1.00 27.92 O ATOM 183 CB THR A 19 7.815 1.131 14.421 1.00 33.70 C ATOM 184 OG1 THR A 19 8.821 1.412 15.398 1.00 36.44 O ATOM 185 CG2 THR A 19 6.957 2.364 14.183 1.00 33.93 C ATOM 186 HG1 THR A 19 9.385 2.162 15.083 1.00 0.00 H ATOM 187 H THR A 19 7.174 0.327 17.061 1.00 0.00 H ATOM 188 N ASN A 20 8.078 -1.918 15.967 1.00 26.76 N ATOM 189 CA ASN A 20 8.888 -3.131 15.984 1.00 26.13 C ATOM 190 C ASN A 20 8.040 -4.369 15.710 1.00 22.66 C ATOM 191 O ASN A 20 8.557 -5.413 15.314 1.00 23.22 O ATOM 192 CB ASN A 20 9.602 -3.268 17.323 1.00 28.70 C ATOM 193 CG ASN A 20 10.570 -2.140 17.575 1.00 32.51 C ATOM 194 OD1 ASN A 20 11.285 -1.704 16.670 1.00 33.58 O ATOM 195 ND2 ASN A 20 10.599 -1.651 18.813 1.00 33.34 N ATOM 196 HD22 ASN A 20 9.977 -2.051 19.545 1.00 0.00 H ATOM 197 HD21 ASN A 20 11.243 -0.869 19.048 1.00 0.00 H ATOM 198 H ASN A 20 7.663 -1.568 16.854 1.00 0.00 H ATOM 199 N ILE A 21 6.736 -4.258 15.926 1.00 18.02 N ATOM 200 CA ILE A 21 5.832 -5.373 15.670 1.00 15.09 C ATOM 201 C ILE A 21 5.840 -5.753 14.182 1.00 12.55 C ATOM 202 O ILE A 21 6.131 -4.910 13.320 1.00 13.50 O ATOM 203 CB ILE A 21 4.392 -5.045 16.138 1.00 15.74 C ATOM 204 CG1 ILE A 21 3.910 -3.726 15.531 1.00 16.54 C ATOM 205 CG2 ILE A 21 4.320 -5.016 17.676 1.00 19.47 C ATOM 206 CD1 ILE A 21 2.409 -3.507 15.674 1.00 19.27 C ATOM 207 H ILE A 21 6.352 -3.360 16.284 1.00 0.00 H ATOM 208 N LYS A 22 5.547 -7.025 13.904 1.00 11.38 N ATOM 209 CA LYS A 22 5.398 -7.518 12.527 1.00 9.84 C ATOM 210 C LYS A 22 3.997 -8.120 12.359 1.00 8.20 C ATOM 211 O LYS A 22 3.808 -9.343 12.226 1.00 9.31 O ATOM 212 CB LYS A 22 6.495 -8.525 12.211 1.00 12.65 C ATOM 213 CG LYS A 22 7.887 -7.926 12.298 1.00 16.42 C ATOM 214 CD LYS A 22 8.956 -8.950 12.012 1.00 22.48 C ATOM 215 CE LYS A 22 10.339 -8.388 12.316 1.00 27.74 C ATOM 216 NZ LYS A 22 11.415 -9.319 11.896 1.00 31.30 N ATOM 217 HZ1 LYS A 22 11.309 -10.221 12.403 1.00 0.00 H ATOM 218 HZ2 LYS A 22 11.347 -9.486 10.872 1.00 0.00 H ATOM 219 HZ3 LYS A 22 12.341 -8.901 12.120 1.00 0.00 H ATOM 220 H LYS A 22 5.419 -7.693 14.691 1.00 0.00 H ATOM 221 N PRO A 23 2.974 -7.261 12.407 1.00 8.84 N ATOM 222 CA PRO A 23 1.600 -7.750 12.542 1.00 8.94 C ATOM 223 C PRO A 23 1.084 -8.429 11.278 1.00 9.18 C ATOM 224 O PRO A 23 1.476 -8.068 10.155 1.00 9.31 O ATOM 225 CB PRO A 23 0.811 -6.477 12.842 1.00 9.64 C ATOM 226 CG PRO A 23 1.588 -5.398 12.104 1.00 9.94 C ATOM 227 CD PRO A 23 3.024 -5.788 12.350 1.00 10.30 C ATOM 228 N ILE A 24 0.163 -9.362 11.485 1.00 8.97 N ATOM 229 CA ILE A 24 -0.549 -10.041 10.416 1.00 8.05 C ATOM 230 C ILE A 24 -1.919 -9.387 10.274 1.00 8.17 C ATOM 231 O ILE A 24 -2.696 -9.315 11.230 1.00 8.96 O ATOM 232 CB ILE A 24 -0.619 -11.545 10.685 1.00 7.92 C ATOM 233 CG1 ILE A 24 0.811 -12.113 10.759 1.00 11.18 C ATOM 234 CG2 ILE A 24 -1.421 -12.242 9.590 1.00 9.66 C ATOM 235 CD1 ILE A 24 0.908 -13.573 11.176 1.00 11.95 C ATOM 236 H ILE A 24 -0.061 -9.621 12.467 1.00 0.00 H ATOM 237 N LEU A 25 -2.159 -8.870 9.076 1.00 8.30 N ATOM 238 CA LEU A 25 -3.337 -8.069 8.751 1.00 8.22 C ATOM 239 C LEU A 25 -4.005 -8.608 7.494 1.00 8.43 C ATOM 240 O LEU A 25 -3.362 -9.243 6.664 1.00 10.68 O ATOM 241 CB LEU A 25 -2.970 -6.604 8.487 1.00 10.11 C ATOM 242 CG LEU A 25 -2.198 -5.896 9.604 1.00 10.18 C ATOM 243 CD1 LEU A 25 -1.721 -4.512 9.123 1.00 13.06 C ATOM 244 CD2 LEU A 25 -3.051 -5.805 10.869 1.00 11.70 C ATOM 245 H LEU A 25 -1.465 -9.046 8.321 1.00 0.00 H ATOM 246 N GLN A 26 -5.298 -8.330 7.357 1.00 8.14 N ATOM 247 CA GLN A 26 -6.024 -8.696 6.143 1.00 8.39 C ATOM 248 C GLN A 26 -6.270 -7.445 5.304 1.00 7.94 C ATOM 249 O GLN A 26 -6.671 -6.400 5.828 1.00 8.96 O ATOM 250 CB GLN A 26 -7.364 -9.372 6.464 1.00 8.52 C ATOM 251 CG GLN A 26 -8.051 -9.834 5.212 1.00 8.77 C ATOM 252 CD GLN A 26 -9.361 -10.551 5.469 1.00 8.44 C ATOM 253 OE1 GLN A 26 -10.117 -10.208 6.380 1.00 9.50 O ATOM 254 NE2 GLN A 26 -9.652 -11.543 4.634 1.00 9.56 N ATOM 255 HE22 GLN A 26 -8.985 -11.800 3.879 1.00 0.00 H ATOM 256 HE21 GLN A 26 -10.547 -12.063 4.736 1.00 0.00 H ATOM 257 H GLN A 26 -5.801 -7.844 8.127 1.00 0.00 H ATOM 258 N VAL A 27 -6.032 -7.568 3.996 1.00 8.68 N ATOM 259 CA VAL A 27 -6.386 -6.495 3.072 1.00 8.75 C ATOM 260 C VAL A 27 -7.890 -6.554 2.832 1.00 9.25 C ATOM 261 O VAL A 27 -8.424 -7.592 2.443 1.00 9.63 O ATOM 262 CB VAL A 27 -5.661 -6.631 1.722 1.00 9.24 C ATOM 263 CG1 VAL A 27 -6.109 -5.540 0.749 1.00 10.31 C ATOM 264 CG2 VAL A 27 -4.140 -6.556 1.909 1.00 11.33 C ATOM 265 H VAL A 27 -5.590 -8.436 3.632 1.00 0.00 H ATOM 266 N ILE A 28 -8.589 -5.462 3.089 1.00 9.92 N ATOM 267 CA ILE A 28 -10.020 -5.402 2.793 1.00 10.23 C ATOM 268 C ILE A 28 -10.271 -4.791 1.413 1.00 10.79 C ATOM 269 O ILE A 28 -11.120 -5.288 0.664 1.00 11.96 O ATOM 270 CB ILE A 28 -10.816 -4.638 3.898 1.00 10.08 C ATOM 271 CG1 ILE A 28 -10.564 -5.237 5.295 1.00 11.34 C ATOM 272 CG2 ILE A 28 -12.307 -4.629 3.567 1.00 13.43 C ATOM 273 CD1 ILE A 28 -10.840 -6.730 5.389 1.00 12.74 C ATOM 274 H ILE A 28 -8.116 -4.636 3.507 1.00 0.00 H ATOM 275 N ASN A 29 -9.552 -3.718 1.085 1.00 10.24 N ATOM 276 CA ASN A 29 -9.702 -3.052 -0.205 1.00 11.53 C ATOM 277 C ASN A 29 -8.396 -2.371 -0.569 1.00 10.59 C ATOM 278 O ASN A 29 -7.618 -2.019 0.325 1.00 11.74 O ATOM 279 CB ASN A 29 -10.846 -2.026 -0.164 1.00 15.74 C ATOM 280 CG ASN A 29 -11.188 -1.518 -1.523 1.00 22.45 C ATOM 281 OD1 ASN A 29 -11.270 -2.297 -2.465 1.00 25.38 O ATOM 282 ND2 ASN A 29 -11.342 -0.210 -1.653 1.00 28.77 N ATOM 283 HD22 ASN A 29 -11.262 0.408 -0.821 1.00 0.00 H ATOM 284 HD21 ASN A 29 -11.543 0.200 -2.588 1.00 0.00 H ATOM 285 H ASN A 29 -8.863 -3.344 1.769 1.00 0.00 H ATOM 286 N ILE A 30 -8.170 -2.196 -1.870 1.00 10.57 N ATOM 287 CA ILE A 30 -7.017 -1.479 -2.400 1.00 12.10 C ATOM 288 C ILE A 30 -7.536 -0.605 -3.502 1.00 13.90 C ATOM 289 O ILE A 30 -8.333 -1.058 -4.334 1.00 14.74 O ATOM 290 CB ILE A 30 -5.950 -2.396 -3.043 1.00 13.78 C ATOM 291 CG1 ILE A 30 -5.532 -3.501 -2.092 1.00 16.49 C ATOM 292 CG2 ILE A 30 -4.743 -1.575 -3.445 1.00 15.16 C ATOM 293 CD1 ILE A 30 -4.512 -4.474 -2.674 1.00 19.30 C ATOM 294 H ILE A 30 -8.854 -2.593 -2.545 1.00 0.00 H ATOM 295 N ARG A 31 -7.085 0.639 -3.526 1.00 12.66 N ATOM 296 CA ARG A 31 -7.427 1.512 -4.642 1.00 15.78 C ATOM 297 C ARG A 31 -6.275 2.446 -4.952 1.00 14.36 C ATOM 298 O ARG A 31 -5.500 2.821 -4.066 1.00 14.60 O ATOM 299 CB ARG A 31 -8.694 2.298 -4.355 1.00 21.70 C ATOM 300 CG ARG A 31 -8.551 3.386 -3.347 1.00 25.28 C ATOM 301 CD ARG A 31 -9.826 4.244 -3.382 1.00 29.79 C ATOM 302 NE ARG A 31 -9.748 5.443 -2.549 1.00 35.85 N ATOM 303 CZ ARG A 31 -10.129 5.510 -1.275 1.00 41.86 C ATOM 304 NH1 ARG A 31 -10.617 4.443 -0.653 1.00 43.91 N ATOM 305 NH2 ARG A 31 -10.017 6.653 -0.616 1.00 44.59 N ATOM 306 HE ARG A 31 -9.367 6.307 -2.984 1.00 0.00 H ATOM 307 HH12 ARG A 31 -10.911 4.510 0.342 1.00 0.00 H ATOM 308 HH11 ARG A 31 -10.706 3.540 -1.161 1.00 0.00 H ATOM 309 HH22 ARG A 31 -10.313 6.711 0.379 1.00 0.00 H ATOM 310 HH21 ARG A 31 -9.633 7.493 -1.094 1.00 0.00 H ATOM 311 H ARG A 31 -6.488 0.993 -2.751 1.00 0.00 H ATOM 312 N PRO A 32 -6.148 2.825 -6.229 1.00 13.52 N ATOM 313 CA PRO A 32 -5.129 3.814 -6.551 1.00 12.10 C ATOM 314 C PRO A 32 -5.561 5.164 -6.021 1.00 14.11 C ATOM 315 O PRO A 32 -6.769 5.431 -5.924 1.00 15.27 O ATOM 316 CB PRO A 32 -5.114 3.831 -8.099 1.00 13.74 C ATOM 317 CG PRO A 32 -5.988 2.709 -8.542 1.00 13.89 C ATOM 318 CD PRO A 32 -6.935 2.446 -7.418 1.00 14.50 C ATOM 319 N ILE A 33 -4.586 5.982 -5.645 1.00 14.93 N ATOM 320 CA ILE A 33 -4.857 7.391 -5.367 1.00 16.88 C ATOM 321 C ILE A 33 -4.574 8.175 -6.629 1.00 16.40 C ATOM 322 O ILE A 33 -3.980 7.647 -7.568 1.00 20.94 O ATOM 323 CB ILE A 33 -3.998 7.962 -4.198 1.00 20.68 C ATOM 324 CG1 ILE A 33 -2.506 7.931 -4.532 1.00 24.24 C ATOM 325 CG2 ILE A 33 -4.274 7.197 -2.926 1.00 24.13 C ATOM 326 CD1 ILE A 33 -1.655 8.830 -3.638 1.00 25.14 C ATOM 327 H ILE A 33 -3.617 5.616 -5.547 1.00 0.00 H ATOM 328 N THR A 34 -5.003 9.429 -6.658 1.00 18.19 N ATOM 329 CA THR A 34 -4.753 10.292 -7.814 1.00 20.11 C ATOM 330 C THR A 34 -3.304 10.803 -7.753 1.00 23.17 C ATOM 331 O THR A 34 -2.933 11.467 -6.786 1.00 26.40 O ATOM 332 CB THR A 34 -5.750 11.466 -7.817 1.00 19.80 C ATOM 333 OG1 THR A 34 -7.083 10.945 -7.937 1.00 22.18 O ATOM 334 CG2 THR A 34 -5.471 12.426 -8.972 1.00 22.37 C ATOM 335 HG1 THR A 34 -7.272 10.347 -7.171 1.00 0.00 H ATOM 336 H THR A 34 -5.528 9.807 -5.843 1.00 0.00 H ATOM 337 N THR A 35 -2.497 10.513 -8.777 1.00 28.94 N ATOM 338 CA THR A 35 -1.045 10.756 -8.694 1.00 33.61 C ATOM 339 C THR A 35 -0.407 11.708 -9.705 1.00 39.47 C ATOM 340 O THR A 35 0.524 12.432 -9.353 1.00 42.16 O ATOM 341 CB THR A 35 -0.260 9.436 -8.790 1.00 34.66 C ATOM 342 OG1 THR A 35 -0.732 8.673 -9.908 1.00 36.55 O ATOM 343 CG2 THR A 35 -0.434 8.640 -7.525 1.00 33.68 C ATOM 344 HG1 THR A 35 -0.224 7.825 -9.965 1.00 0.00 H ATOM 345 H THR A 35 -2.899 10.109 -9.647 1.00 0.00 H ATOM 346 N GLY A 36 -0.857 11.681 -10.955 1.00 40.63 N ATOM 347 CA GLY A 36 -0.263 12.524 -11.985 1.00 39.99 C ATOM 348 C GLY A 36 0.996 11.918 -12.585 1.00 40.28 C ATOM 349 O GLY A 36 1.094 10.699 -12.721 1.00 40.48 O ATOM 350 H GLY A 36 -1.645 11.049 -11.202 1.00 0.00 H ATOM 351 N ASN A 37 1.962 12.762 -12.945 1.00 39.10 N ATOM 352 CA ASN A 37 3.184 12.290 -13.597 1.00 39.41 C ATOM 353 C ASN A 37 4.196 11.751 -12.597 1.00 39.77 C ATOM 354 O ASN A 37 5.218 12.377 -12.313 1.00 42.56 O ATOM 355 CB ASN A 37 3.825 13.396 -14.437 1.00 39.10 C ATOM 356 CG ASN A 37 4.960 12.881 -15.318 1.00 41.17 C ATOM 357 OD1 ASN A 37 5.201 11.679 -15.408 1.00 43.72 O ATOM 358 ND2 ASN A 37 5.655 13.795 -15.980 1.00 40.91 N ATOM 359 HD22 ASN A 37 5.420 14.803 -15.877 1.00 0.00 H ATOM 360 HD21 ASN A 37 6.436 13.504 -16.603 1.00 0.00 H ATOM 361 H ASN A 37 1.845 13.778 -12.759 1.00 0.00 H ATOM 362 N SER A 38 3.895 10.572 -12.078 1.00 36.90 N ATOM 363 CA SER A 38 4.770 9.873 -11.157 1.00 35.48 C ATOM 364 C SER A 38 4.176 8.482 -11.041 1.00 30.94 C ATOM 365 O SER A 38 3.050 8.260 -11.496 1.00 33.77 O ATOM 366 CB SER A 38 4.808 10.575 -9.798 1.00 37.98 C ATOM 367 OG SER A 38 3.558 10.496 -9.139 1.00 41.38 O ATOM 368 HG SER A 38 3.322 9.545 -8.995 1.00 0.00 H ATOM 369 H SER A 38 2.992 10.128 -12.342 1.00 0.00 H ATOM 370 N PRO A 39 4.924 7.535 -10.448 1.00 27.82 N ATOM 371 CA PRO A 39 4.396 6.172 -10.347 1.00 27.04 C ATOM 372 C PRO A 39 3.051 6.134 -9.619 1.00 22.94 C ATOM 373 O PRO A 39 2.807 6.960 -8.731 1.00 23.63 O ATOM 374 CB PRO A 39 5.485 5.437 -9.549 1.00 27.75 C ATOM 375 CG PRO A 39 6.720 6.208 -9.826 1.00 31.74 C ATOM 376 CD PRO A 39 6.297 7.632 -9.925 1.00 30.11 C ATOM 377 N PRO A 40 2.179 5.187 -9.991 1.00 20.82 N ATOM 378 CA PRO A 40 0.928 5.029 -9.247 1.00 19.03 C ATOM 379 C PRO A 40 1.208 4.805 -7.767 1.00 16.62 C ATOM 380 O PRO A 40 2.269 4.291 -7.429 1.00 16.41 O ATOM 381 CB PRO A 40 0.299 3.765 -9.850 1.00 22.60 C ATOM 382 CG PRO A 40 1.104 3.419 -11.035 1.00 26.43 C ATOM 383 CD PRO A 40 2.407 4.100 -10.957 1.00 24.63 C ATOM 384 N ARG A 41 0.260 5.176 -6.910 1.00 15.99 N ATOM 385 CA ARG A 41 0.350 4.913 -5.475 1.00 16.28 C ATOM 386 C ARG A 41 -0.948 4.248 -5.045 1.00 13.59 C ATOM 387 O ARG A 41 -2.034 4.649 -5.465 1.00 15.65 O ATOM 388 CB ARG A 41 0.595 6.225 -4.718 1.00 22.20 C ATOM 389 CG ARG A 41 0.517 6.178 -3.208 1.00 28.62 C ATOM 390 CD ARG A 41 1.848 5.820 -2.564 1.00 26.93 C ATOM 391 NE ARG A 41 2.980 6.693 -2.913 1.00 24.75 N ATOM 392 CZ ARG A 41 4.227 6.447 -2.528 1.00 22.26 C ATOM 393 NH1 ARG A 41 4.493 5.368 -1.796 1.00 20.31 N ATOM 394 NH2 ARG A 41 5.218 7.253 -2.888 1.00 23.68 N ATOM 395 HE ARG A 41 2.795 7.540 -3.487 1.00 0.00 H ATOM 396 HH12 ARG A 41 5.469 5.173 -1.493 1.00 0.00 H ATOM 397 HH11 ARG A 41 3.725 4.720 -1.527 1.00 0.00 H ATOM 398 HH22 ARG A 41 6.191 7.051 -2.581 1.00 0.00 H ATOM 399 HH21 ARG A 41 5.022 8.087 -3.477 1.00 0.00 H ATOM 400 H ARG A 41 -0.578 5.672 -7.275 1.00 0.00 H ATOM 401 N TYR A 42 -0.825 3.221 -4.209 1.00 12.78 N ATOM 402 CA TYR A 42 -1.983 2.477 -3.727 1.00 11.88 C ATOM 403 C TYR A 42 -2.263 2.718 -2.258 1.00 11.64 C ATOM 404 O TYR A 42 -1.351 2.686 -1.425 1.00 13.00 O ATOM 405 CB TYR A 42 -1.799 0.967 -3.996 1.00 11.82 C ATOM 406 CG TYR A 42 -1.628 0.697 -5.484 1.00 11.33 C ATOM 407 CD1 TYR A 42 -2.730 0.697 -6.329 1.00 12.02 C ATOM 408 CD2 TYR A 42 -0.376 0.456 -6.034 1.00 11.98 C ATOM 409 CE1 TYR A 42 -2.591 0.503 -7.691 1.00 13.22 C ATOM 410 CE2 TYR A 42 -0.227 0.248 -7.405 1.00 12.63 C ATOM 411 CZ TYR A 42 -1.338 0.259 -8.218 1.00 13.62 C ATOM 412 OH TYR A 42 -1.189 0.061 -9.580 1.00 16.75 O ATOM 413 HH TYR A 42 -0.778 -0.825 -9.740 1.00 0.00 H ATOM 414 H TYR A 42 0.124 2.940 -3.890 1.00 0.00 H ATOM 415 N ARG A 43 -3.539 2.948 -1.968 1.00 10.78 N ATOM 416 CA ARG A 43 -4.042 3.088 -0.610 1.00 10.41 C ATOM 417 C ARG A 43 -4.800 1.818 -0.230 1.00 10.77 C ATOM 418 O ARG A 43 -5.527 1.257 -1.054 1.00 11.45 O ATOM 419 CB ARG A 43 -4.963 4.313 -0.544 1.00 12.81 C ATOM 420 CG ARG A 43 -5.541 4.606 0.822 1.00 14.10 C ATOM 421 CD ARG A 43 -6.337 5.903 0.802 1.00 15.36 C ATOM 422 NE ARG A 43 -6.912 6.157 2.109 1.00 17.71 N ATOM 423 CZ ARG A 43 -7.639 7.220 2.404 1.00 19.48 C ATOM 424 NH1 ARG A 43 -7.892 8.132 1.464 1.00 22.10 N ATOM 425 NH2 ARG A 43 -8.116 7.356 3.637 1.00 22.21 N ATOM 426 HE ARG A 43 -6.741 5.459 2.861 1.00 0.00 H ATOM 427 HH12 ARG A 43 -8.464 8.970 1.693 1.00 0.00 H ATOM 428 HH11 ARG A 43 -7.517 8.005 0.502 1.00 0.00 H ATOM 429 HH22 ARG A 43 -8.690 8.188 3.884 1.00 0.00 H ATOM 430 HH21 ARG A 43 -7.915 6.631 4.355 1.00 0.00 H ATOM 431 H ARG A 43 -4.215 3.033 -2.754 1.00 0.00 H ATOM 432 N LEU A 44 -4.638 1.373 1.018 1.00 10.22 N ATOM 433 CA LEU A 44 -5.251 0.127 1.475 1.00 9.90 C ATOM 434 C LEU A 44 -6.123 0.335 2.701 1.00 9.64 C ATOM 435 O LEU A 44 -5.750 1.061 3.637 1.00 11.11 O ATOM 436 CB LEU A 44 -4.184 -0.929 1.811 1.00 10.09 C ATOM 437 CG LEU A 44 -3.308 -1.348 0.634 1.00 12.40 C ATOM 438 CD1 LEU A 44 -2.113 -0.428 0.445 1.00 18.31 C ATOM 439 CD2 LEU A 44 -2.801 -2.764 0.825 1.00 13.88 C ATOM 440 H LEU A 44 -4.061 1.927 1.682 1.00 0.00 H ATOM 441 N LEU A 45 -7.278 -0.322 2.691 1.00 8.93 N ATOM 442 CA LEU A 45 -8.092 -0.519 3.875 1.00 9.09 C ATOM 443 C LEU A 45 -7.700 -1.865 4.439 1.00 8.68 C ATOM 444 O LEU A 45 -7.890 -2.889 3.781 1.00 9.71 O ATOM 445 CB LEU A 45 -9.568 -0.531 3.465 1.00 10.36 C ATOM 446 CG LEU A 45 -10.598 -0.754 4.584 1.00 11.68 C ATOM 447 CD1 LEU A 45 -10.543 0.390 5.613 1.00 13.20 C ATOM 448 CD2 LEU A 45 -12.012 -0.930 4.034 1.00 14.95 C ATOM 449 H LEU A 45 -7.615 -0.715 1.789 1.00 0.00 H ATOM 450 N MET A 46 -7.102 -1.855 5.634 1.00 8.20 N ATOM 451 CA MET A 46 -6.579 -3.056 6.291 1.00 7.34 C ATOM 452 C MET A 46 -7.393 -3.388 7.552 1.00 7.45 C ATOM 453 O MET A 46 -8.023 -2.510 8.133 1.00 10.12 O ATOM 454 CB MET A 46 -5.125 -2.822 6.720 1.00 10.01 C ATOM 455 CG MET A 46 -4.133 -2.409 5.605 1.00 11.59 C ATOM 456 SD MET A 46 -3.942 -3.646 4.311 1.00 10.09 S ATOM 457 CE MET A 46 -3.163 -4.969 5.230 1.00 12.52 C ATOM 458 H MET A 46 -7.002 -0.944 6.125 1.00 0.00 H ATOM 459 N SER A 47 -7.376 -4.651 7.968 1.00 7.81 N ATOM 460 CA SER A 47 -8.023 -5.114 9.179 1.00 7.88 C ATOM 461 C SER A 47 -7.070 -5.954 10.019 1.00 7.50 C ATOM 462 O SER A 47 -6.308 -6.768 9.502 1.00 9.71 O ATOM 463 CB SER A 47 -9.179 -6.018 8.752 1.00 8.92 C ATOM 464 OG SER A 47 -9.719 -6.694 9.884 1.00 10.02 O ATOM 465 HG SER A 47 -10.466 -7.276 9.594 1.00 0.00 H ATOM 466 H SER A 47 -6.867 -5.349 7.389 1.00 0.00 H ATOM 467 N ASP A 48 -7.169 -5.778 11.331 1.00 9.10 N ATOM 468 CA ASP A 48 -6.490 -6.665 12.277 1.00 10.21 C ATOM 469 C ASP A 48 -7.468 -7.609 12.969 1.00 12.41 C ATOM 470 O ASP A 48 -7.106 -8.248 13.950 1.00 13.74 O ATOM 471 CB ASP A 48 -5.661 -5.854 13.294 1.00 10.89 C ATOM 472 CG ASP A 48 -6.516 -5.092 14.312 1.00 12.14 C ATOM 473 OD1 ASP A 48 -7.755 -5.139 14.210 1.00 12.66 O ATOM 474 OD2 ASP A 48 -5.922 -4.430 15.204 1.00 13.11 O ATOM 475 H ASP A 48 -7.743 -4.991 11.696 1.00 0.00 H ATOM 476 N GLY A 49 -8.700 -7.692 12.459 1.00 11.60 N ATOM 477 CA GLY A 49 -9.744 -8.521 13.060 1.00 14.02 C ATOM 478 C GLY A 49 -10.657 -7.778 14.030 1.00 15.60 C ATOM 479 O GLY A 49 -11.828 -8.155 14.204 1.00 20.93 O ATOM 480 H GLY A 49 -8.925 -7.147 11.603 1.00 0.00 H ATOM 481 N LEU A 50 -10.127 -6.750 14.675 1.00 13.63 N ATOM 482 CA LEU A 50 -10.930 -5.905 15.586 1.00 13.75 C ATOM 483 C LEU A 50 -11.301 -4.593 14.953 1.00 13.36 C ATOM 484 O LEU A 50 -12.431 -4.126 15.094 1.00 13.52 O ATOM 485 CB LEU A 50 -10.181 -5.573 16.873 1.00 18.02 C ATOM 486 CG LEU A 50 -9.905 -6.715 17.848 1.00 19.06 C ATOM 487 CD1 LEU A 50 -9.228 -6.151 19.091 1.00 20.03 C ATOM 488 CD2 LEU A 50 -11.165 -7.479 18.231 1.00 19.10 C ATOM 489 H LEU A 50 -9.120 -6.531 14.538 1.00 0.00 H ATOM 490 N ASN A 51 -10.328 -3.994 14.275 1.00 11.93 N ATOM 491 CA ASN A 51 -10.505 -2.715 13.619 1.00 11.70 C ATOM 492 C ASN A 51 -10.143 -2.783 12.141 1.00 10.36 C ATOM 493 O ASN A 51 -9.307 -3.596 11.733 1.00 10.62 O ATOM 494 CB ASN A 51 -9.585 -1.665 14.246 1.00 12.92 C ATOM 495 CG ASN A 51 -10.036 -1.208 15.609 1.00 13.47 C ATOM 496 OD1 ASN A 51 -9.288 -1.322 16.584 1.00 14.91 O ATOM 497 ND2 ASN A 51 -11.243 -0.650 15.680 1.00 13.96 N ATOM 498 HD22 ASN A 51 -11.834 -0.579 14.827 1.00 0.00 H ATOM 499 HD21 ASN A 51 -11.595 -0.285 16.588 1.00 0.00 H ATOM 500 H ASN A 51 -9.402 -4.463 14.213 1.00 0.00 H ATOM 501 N THR A 52 -10.740 -1.882 11.355 1.00 11.43 N ATOM 502 CA THR A 52 -10.231 -1.532 10.038 1.00 11.23 C ATOM 503 C THR A 52 -9.644 -0.137 10.108 1.00 13.52 C ATOM 504 O THR A 52 -10.013 0.677 10.975 1.00 14.39 O ATOM 505 CB THR A 52 -11.330 -1.562 8.931 1.00 13.99 C ATOM 506 OG1 THR A 52 -12.370 -0.641 9.260 1.00 15.20 O ATOM 507 CG2 THR A 52 -11.916 -2.968 8.778 1.00 15.55 C ATOM 508 HG1 THR A 52 -13.065 -0.664 8.555 1.00 0.00 H ATOM 509 H THR A 52 -11.602 -1.413 11.698 1.00 0.00 H ATOM 510 N LEU A 53 -8.726 0.132 9.187 1.00 13.41 N ATOM 511 CA LEU A 53 -8.117 1.446 9.080 1.00 15.57 C ATOM 512 C LEU A 53 -7.734 1.673 7.629 1.00 11.84 C ATOM 513 O LEU A 53 -7.130 0.799 7.011 1.00 10.69 O ATOM 514 CB LEU A 53 -6.862 1.508 9.944 1.00 17.65 C ATOM 515 CG LEU A 53 -6.086 2.821 9.961 1.00 21.46 C ATOM 516 CD1 LEU A 53 -6.884 3.915 10.633 1.00 27.58 C ATOM 517 CD2 LEU A 53 -4.735 2.631 10.646 1.00 22.53 C ATOM 518 H LEU A 53 -8.436 -0.617 8.526 1.00 0.00 H ATOM 519 N SER A 54 -8.065 2.847 7.085 1.00 14.07 N ATOM 520 CA SER A 54 -7.834 3.151 5.675 1.00 14.12 C ATOM 521 C SER A 54 -6.588 3.993 5.421 1.00 11.63 C ATOM 522 O SER A 54 -6.347 4.426 4.283 1.00 14.18 O ATOM 523 CB SER A 54 -9.027 3.909 5.093 1.00 20.30 C ATOM 524 OG SER A 54 -9.113 5.190 5.687 1.00 26.07 O ATOM 525 HG SER A 54 -9.231 5.092 6.665 1.00 0.00 H ATOM 526 H SER A 54 -8.504 3.572 7.688 1.00 0.00 H ATOM 527 N SER A 55 -5.797 4.232 6.454 1.00 12.64 N ATOM 528 CA SER A 55 -4.664 5.161 6.368 1.00 12.16 C ATOM 529 C SER A 55 -3.341 4.497 5.988 1.00 12.01 C ATOM 530 O SER A 55 -2.287 4.934 6.409 1.00 17.34 O ATOM 531 CB SER A 55 -4.502 5.882 7.714 1.00 19.70 C ATOM 532 OG SER A 55 -5.739 6.458 8.080 1.00 24.45 O ATOM 533 HG SER A 55 -5.641 6.925 8.948 1.00 0.00 H ATOM 534 H SER A 55 -5.984 3.747 7.355 1.00 0.00 H ATOM 535 N PHE A 56 -3.407 3.444 5.201 1.00 11.55 N ATOM 536 CA PHE A 56 -2.212 2.759 4.711 1.00 10.76 C ATOM 537 C PHE A 56 -1.935 3.089 3.252 1.00 11.78 C ATOM 538 O PHE A 56 -2.843 3.103 2.421 1.00 11.65 O ATOM 539 CB PHE A 56 -2.392 1.251 4.793 1.00 10.76 C ATOM 540 CG PHE A 56 -2.501 0.718 6.192 1.00 10.77 C ATOM 541 CD1 PHE A 56 -3.737 0.581 6.782 1.00 15.31 C ATOM 542 CD2 PHE A 56 -1.370 0.307 6.890 1.00 10.67 C ATOM 543 CE1 PHE A 56 -3.857 0.072 8.057 1.00 16.06 C ATOM 544 CE2 PHE A 56 -1.483 -0.204 8.168 1.00 11.98 C ATOM 545 CZ PHE A 56 -2.734 -0.336 8.755 1.00 14.76 C ATOM 546 H PHE A 56 -4.342 3.087 4.918 1.00 0.00 H ATOM 547 N MET A 57 -0.667 3.340 2.936 1.00 12.10 N ATOM 548 CA MET A 57 -0.253 3.394 1.545 1.00 12.85 C ATOM 549 C MET A 57 0.943 2.460 1.347 1.00 12.20 C ATOM 550 O MET A 57 1.735 2.184 2.259 1.00 13.13 O ATOM 551 CB MET A 57 0.026 4.831 1.052 1.00 18.69 C ATOM 552 CG MET A 57 -1.301 5.690 0.755 1.00 17.08 C ATOM 553 SD MET A 57 -0.988 7.276 0.006 1.00 21.94 S ATOM 554 CE MET A 57 -0.040 8.039 1.285 1.00 23.48 C ATOM 555 H MET A 57 0.032 3.498 3.690 1.00 0.00 H ATOM 556 N LEU A 58 1.038 1.933 0.137 1.00 12.05 N ATOM 557 CA LEU A 58 2.100 1.009 -0.230 1.00 12.23 C ATOM 558 C LEU A 58 3.328 1.760 -0.725 1.00 11.71 C ATOM 559 O LEU A 58 3.204 2.693 -1.518 1.00 12.92 O ATOM 560 CB LEU A 58 1.566 0.111 -1.340 1.00 14.50 C ATOM 561 CG LEU A 58 2.324 -1.163 -1.638 1.00 15.62 C ATOM 562 CD1 LEU A 58 2.219 -2.144 -0.464 1.00 19.69 C ATOM 563 CD2 LEU A 58 1.711 -1.733 -2.882 1.00 18.40 C ATOM 564 H LEU A 58 0.327 2.189 -0.578 1.00 0.00 H ATOM 565 N ALA A 59 4.518 1.357 -0.291 1.00 12.05 N ATOM 566 CA ALA A 59 5.744 1.857 -0.920 1.00 13.41 C ATOM 567 C ALA A 59 5.721 1.517 -2.404 1.00 13.75 C ATOM 568 O ALA A 59 5.248 0.448 -2.786 1.00 12.90 O ATOM 569 CB ALA A 59 6.959 1.231 -0.275 1.00 15.27 C ATOM 570 H ALA A 59 4.580 0.683 0.499 1.00 0.00 H ATOM 571 N THR A 60 6.222 2.412 -3.244 1.00 15.03 N ATOM 572 CA THR A 60 6.099 2.207 -4.685 1.00 14.38 C ATOM 573 C THR A 60 6.877 0.972 -5.154 1.00 13.20 C ATOM 574 O THR A 60 6.498 0.357 -6.142 1.00 14.27 O ATOM 575 CB THR A 60 6.489 3.448 -5.496 1.00 20.77 C ATOM 576 OG1 THR A 60 7.780 3.901 -5.096 1.00 22.08 O ATOM 577 CG2 THR A 60 5.469 4.566 -5.281 1.00 21.05 C ATOM 578 HG1 THR A 60 7.764 4.130 -4.133 1.00 0.00 H ATOM 579 H THR A 60 6.702 3.259 -2.878 1.00 0.00 H ATOM 580 N GLN A 61 7.943 0.612 -4.423 1.00 13.97 N ATOM 581 CA GLN A 61 8.723 -0.586 -4.715 1.00 15.72 C ATOM 582 C GLN A 61 7.887 -1.866 -4.656 1.00 14.93 C ATOM 583 O GLN A 61 8.292 -2.890 -5.205 1.00 18.24 O ATOM 584 CB GLN A 61 9.900 -0.704 -3.743 1.00 16.84 C ATOM 585 CG GLN A 61 9.507 -0.847 -2.277 1.00 20.33 C ATOM 586 CD GLN A 61 10.703 -0.861 -1.350 1.00 24.22 C ATOM 587 OE1 GLN A 61 11.817 -0.546 -1.752 1.00 25.72 O ATOM 588 NE2 GLN A 61 10.480 -1.243 -0.103 1.00 22.45 N ATOM 589 HE22 GLN A 61 9.519 -1.502 0.197 1.00 0.00 H ATOM 590 HE21 GLN A 61 11.266 -1.284 0.577 1.00 0.00 H ATOM 591 H GLN A 61 8.224 1.209 -3.619 1.00 0.00 H ATOM 592 N LEU A 62 6.740 -1.817 -3.975 1.00 14.23 N ATOM 593 CA LEU A 62 5.827 -2.959 -3.865 1.00 14.34 C ATOM 594 C LEU A 62 4.677 -2.952 -4.870 1.00 12.73 C ATOM 595 O LEU A 62 3.864 -3.870 -4.880 1.00 11.93 O ATOM 596 CB LEU A 62 5.260 -3.049 -2.442 1.00 15.16 C ATOM 597 CG LEU A 62 6.274 -3.229 -1.308 1.00 19.14 C ATOM 598 CD1 LEU A 62 5.561 -3.431 0.011 1.00 22.34 C ATOM 599 CD2 LEU A 62 7.201 -4.391 -1.580 1.00 21.26 C ATOM 600 H LEU A 62 6.482 -0.928 -3.501 1.00 0.00 H ATOM 601 N ASN A 63 4.610 -1.935 -5.724 1.00 12.14 N ATOM 602 CA ASN A 63 3.543 -1.865 -6.709 1.00 11.92 C ATOM 603 C ASN A 63 3.346 -3.153 -7.519 1.00 10.74 C ATOM 604 O ASN A 63 2.217 -3.482 -7.829 1.00 11.18 O ATOM 605 CB ASN A 63 3.737 -0.688 -7.668 1.00 12.38 C ATOM 606 CG ASN A 63 3.399 0.655 -7.043 1.00 12.43 C ATOM 607 OD1 ASN A 63 3.034 0.756 -5.860 1.00 13.20 O ATOM 608 ND2 ASN A 63 3.541 1.712 -7.842 1.00 15.58 N ATOM 609 HD22 ASN A 63 3.849 1.582 -8.827 1.00 0.00 H ATOM 610 HD21 ASN A 63 3.344 2.667 -7.481 1.00 0.00 H ATOM 611 H ASN A 63 5.327 -1.183 -5.687 1.00 0.00 H ATOM 612 N PRO A 64 4.437 -3.845 -7.901 1.00 11.86 N ATOM 613 CA PRO A 64 4.217 -5.076 -8.680 1.00 12.97 C ATOM 614 C PRO A 64 3.329 -6.108 -7.975 1.00 11.60 C ATOM 615 O PRO A 64 2.638 -6.895 -8.630 1.00 11.86 O ATOM 616 CB PRO A 64 5.632 -5.611 -8.900 1.00 14.98 C ATOM 617 CG PRO A 64 6.490 -4.366 -8.908 1.00 16.90 C ATOM 618 CD PRO A 64 5.856 -3.473 -7.857 1.00 14.33 C ATOM 619 N LEU A 65 3.329 -6.124 -6.644 1.00 11.18 N ATOM 620 CA LEU A 65 2.451 -7.029 -5.892 1.00 10.23 C ATOM 621 C LEU A 65 0.988 -6.798 -6.229 1.00 10.71 C ATOM 622 O LEU A 65 0.201 -7.735 -6.318 1.00 11.57 O ATOM 623 CB LEU A 65 2.603 -6.846 -4.381 1.00 11.13 C ATOM 624 CG LEU A 65 3.983 -7.032 -3.772 1.00 15.89 C ATOM 625 CD1 LEU A 65 3.858 -6.981 -2.261 1.00 17.94 C ATOM 626 CD2 LEU A 65 4.591 -8.344 -4.228 1.00 17.71 C ATOM 627 H LEU A 65 3.964 -5.483 -6.127 1.00 0.00 H ATOM 628 N VAL A 66 0.624 -5.532 -6.361 1.00 11.10 N ATOM 629 CA VAL A 66 -0.748 -5.167 -6.708 1.00 11.74 C ATOM 630 C VAL A 66 -0.995 -5.404 -8.193 1.00 11.61 C ATOM 631 O VAL A 66 -1.995 -6.003 -8.581 1.00 13.34 O ATOM 632 CB VAL A 66 -1.029 -3.692 -6.351 1.00 11.56 C ATOM 633 CG1 VAL A 66 -2.406 -3.276 -6.815 1.00 13.12 C ATOM 634 CG2 VAL A 66 -0.897 -3.494 -4.861 1.00 14.60 C ATOM 635 H VAL A 66 1.329 -4.782 -6.215 1.00 0.00 H ATOM 636 N GLU A 67 -0.068 -4.955 -9.033 1.00 12.58 N ATOM 637 CA GLU A 67 -0.267 -5.015 -10.468 1.00 13.56 C ATOM 638 C GLU A 67 -0.275 -6.438 -11.012 1.00 13.14 C ATOM 639 O GLU A 67 -0.937 -6.712 -12.014 1.00 16.50 O ATOM 640 CB GLU A 67 0.742 -4.088 -11.134 1.00 17.58 C ATOM 641 CG GLU A 67 0.407 -2.641 -10.725 1.00 18.97 C ATOM 642 CD GLU A 67 1.505 -1.635 -10.977 1.00 22.74 C ATOM 643 OE1 GLU A 67 2.572 -2.013 -11.514 1.00 28.67 O ATOM 644 OE2 GLU A 67 1.271 -0.446 -10.644 1.00 23.43 O ATOM 645 H GLU A 67 0.814 -4.554 -8.655 1.00 0.00 H ATOM 646 N GLU A 68 0.431 -7.353 -10.355 1.00 13.39 N ATOM 647 CA GLU A 68 0.422 -8.765 -10.742 1.00 13.24 C ATOM 648 C GLU A 68 -0.556 -9.614 -9.911 1.00 14.89 C ATOM 649 O GLU A 68 -0.595 -10.829 -10.040 1.00 15.37 O ATOM 650 CB GLU A 68 1.842 -9.319 -10.729 1.00 13.24 C ATOM 651 CG GLU A 68 2.757 -8.453 -11.605 1.00 14.35 C ATOM 652 CD GLU A 68 4.168 -9.031 -11.807 1.00 16.88 C ATOM 653 OE1 GLU A 68 5.133 -8.249 -12.038 1.00 18.07 O ATOM 654 OE2 GLU A 68 4.320 -10.274 -11.762 1.00 21.15 O ATOM 655 H GLU A 68 1.007 -7.057 -9.541 1.00 0.00 H ATOM 656 N GLU A 69 -1.348 -8.941 -9.076 1.00 15.43 N ATOM 657 CA GLU A 69 -2.510 -9.505 -8.373 1.00 16.58 C ATOM 658 C GLU A 69 -2.176 -10.445 -7.217 1.00 18.21 C ATOM 659 O GLU A 69 -3.044 -11.175 -6.767 1.00 25.13 O ATOM 660 CB GLU A 69 -3.489 -10.193 -9.341 1.00 18.49 C ATOM 661 CG GLU A 69 -4.112 -9.245 -10.352 1.00 23.70 C ATOM 662 CD GLU A 69 -5.172 -9.910 -11.198 1.00 30.20 C ATOM 663 OE1 GLU A 69 -4.856 -10.275 -12.348 1.00 33.14 O ATOM 664 OE2 GLU A 69 -6.312 -10.074 -10.712 1.00 34.49 O ATOM 665 H GLU A 69 -1.127 -7.939 -8.909 1.00 0.00 H ATOM 666 N GLN A 70 -0.943 -10.443 -6.724 1.00 15.85 N ATOM 667 CA GLN A 70 -0.628 -11.263 -5.545 1.00 17.35 C ATOM 668 C GLN A 70 -1.139 -10.617 -4.262 1.00 16.27 C ATOM 669 O GLN A 70 -1.416 -11.307 -3.291 1.00 19.15 O ATOM 670 CB GLN A 70 0.867 -11.531 -5.358 1.00 21.11 C ATOM 671 CG GLN A 70 1.475 -12.446 -6.367 1.00 24.98 C ATOM 672 CD GLN A 70 2.060 -11.681 -7.504 1.00 27.40 C ATOM 673 OE1 GLN A 70 1.787 -10.488 -7.657 1.00 26.34 O ATOM 674 NE2 GLN A 70 2.903 -12.340 -8.299 1.00 31.68 N ATOM 675 HE22 GLN A 70 3.100 -13.347 -8.128 1.00 0.00 H ATOM 676 HE21 GLN A 70 3.364 -11.847 -9.091 1.00 0.00 H ATOM 677 H GLN A 70 -0.203 -9.864 -7.170 1.00 0.00 H ATOM 678 N LEU A 71 -1.199 -9.292 -4.254 1.00 18.61 N ATOM 679 CA LEU A 71 -1.708 -8.525 -3.126 1.00 16.00 C ATOM 680 C LEU A 71 -3.055 -7.954 -3.574 1.00 15.07 C ATOM 681 O LEU A 71 -3.101 -7.060 -4.413 1.00 16.10 O ATOM 682 CB LEU A 71 -0.715 -7.414 -2.773 1.00 17.52 C ATOM 683 CG LEU A 71 -1.013 -6.550 -1.545 1.00 19.33 C ATOM 684 CD1 LEU A 71 -0.910 -7.336 -0.257 1.00 21.34 C ATOM 685 CD2 LEU A 71 -0.070 -5.366 -1.504 1.00 20.40 C ATOM 686 H LEU A 71 -0.867 -8.776 -5.094 1.00 0.00 H ATOM 687 N SER A 72 -4.150 -8.489 -3.025 1.00 15.65 N ATOM 688 CA SER A 72 -5.496 -8.093 -3.422 1.00 15.76 C ATOM 689 C SER A 72 -6.484 -8.292 -2.274 1.00 12.32 C ATOM 690 O SER A 72 -6.171 -8.937 -1.271 1.00 12.25 O ATOM 691 CB SER A 72 -5.941 -8.896 -4.635 1.00 18.67 C ATOM 692 OG SER A 72 -6.023 -10.264 -4.314 1.00 20.46 O ATOM 693 HG SER A 72 -6.313 -10.772 -5.112 1.00 0.00 H ATOM 694 H SER A 72 -4.038 -9.214 -2.288 1.00 0.00 H ATOM 695 N SER A 73 -7.671 -7.721 -2.418 1.00 12.86 N ATOM 696 CA SER A 73 -8.702 -7.802 -1.390 1.00 12.17 C ATOM 697 C SER A 73 -8.943 -9.235 -0.911 1.00 10.12 C ATOM 698 O SER A 73 -9.114 -10.148 -1.719 1.00 12.16 O ATOM 699 CB SER A 73 -9.986 -7.167 -1.905 1.00 15.17 C ATOM 700 OG SER A 73 -9.719 -5.830 -2.278 1.00 20.32 O ATOM 701 HG SER A 73 -9.031 -5.818 -2.990 1.00 0.00 H ATOM 702 H SER A 73 -7.874 -7.198 -3.293 1.00 0.00 H ATOM 703 N ASN A 74 -8.920 -9.386 0.417 1.00 9.94 N ATOM 704 CA ASN A 74 -9.100 -10.622 1.192 1.00 10.49 C ATOM 705 C ASN A 74 -7.807 -11.327 1.540 1.00 8.95 C ATOM 706 O ASN A 74 -7.828 -12.185 2.394 1.00 9.70 O ATOM 707 CB ASN A 74 -10.085 -11.626 0.567 1.00 11.62 C ATOM 708 CG ASN A 74 -11.460 -11.068 0.414 1.00 16.31 C ATOM 709 OD1 ASN A 74 -11.929 -10.334 1.284 1.00 18.76 O ATOM 710 ND2 ASN A 74 -12.138 -11.430 -0.680 1.00 18.28 N ATOM 711 HD22 ASN A 74 -11.694 -12.053 -1.385 1.00 0.00 H ATOM 712 HD21 ASN A 74 -13.109 -11.089 -0.826 1.00 0.00 H ATOM 713 H ASN A 74 -8.754 -8.521 0.971 1.00 0.00 H ATOM 714 N CYS A 75 -6.686 -11.003 0.902 1.00 9.10 N ATOM 715 CA CYS A 75 -5.447 -11.676 1.248 1.00 8.35 C ATOM 716 C CYS A 75 -5.010 -11.322 2.672 1.00 9.34 C ATOM 717 O CYS A 75 -5.393 -10.266 3.227 1.00 9.22 O ATOM 718 CB CYS A 75 -4.342 -11.382 0.234 1.00 12.68 C ATOM 719 SG CYS A 75 -3.413 -9.864 0.442 1.00 12.97 S ATOM 720 H CYS A 75 -6.697 -10.273 0.161 1.00 0.00 H ATOM 721 N VAL A 76 -4.211 -12.212 3.257 1.00 8.97 N ATOM 722 CA VAL A 76 -3.668 -12.048 4.600 1.00 8.60 C ATOM 723 C VAL A 76 -2.169 -11.897 4.459 1.00 8.74 C ATOM 724 O VAL A 76 -1.525 -12.709 3.809 1.00 10.31 O ATOM 725 CB VAL A 76 -4.052 -13.259 5.509 1.00 10.28 C ATOM 726 CG1 VAL A 76 -3.305 -13.211 6.842 1.00 10.70 C ATOM 727 CG2 VAL A 76 -5.575 -13.269 5.735 1.00 12.58 C ATOM 728 H VAL A 76 -3.961 -13.071 2.727 1.00 0.00 H ATOM 729 N CYS A 77 -1.640 -10.834 5.057 1.00 8.86 N ATOM 730 CA CYS A 77 -0.226 -10.543 4.909 1.00 8.84 C ATOM 731 C CYS A 77 0.420 -10.178 6.234 1.00 8.84 C ATOM 732 O CYS A 77 -0.230 -9.756 7.183 1.00 11.21 O ATOM 733 CB CYS A 77 -0.005 -9.435 3.881 1.00 13.14 C ATOM 734 SG CYS A 77 -0.832 -7.897 4.270 1.00 16.61 S ATOM 735 H CYS A 77 -2.241 -10.210 5.632 1.00 0.00 H ATOM 736 N GLN A 78 1.714 -10.433 6.302 1.00 9.04 N ATOM 737 CA GLN A 78 2.520 -10.027 7.421 1.00 10.01 C ATOM 738 C GLN A 78 3.312 -8.796 7.026 1.00 8.76 C ATOM 739 O GLN A 78 3.986 -8.782 6.002 1.00 10.08 O ATOM 740 CB GLN A 78 3.469 -11.139 7.854 1.00 10.65 C ATOM 741 CG GLN A 78 4.254 -10.740 9.102 1.00 10.43 C ATOM 742 CD GLN A 78 4.825 -11.920 9.821 1.00 13.49 C ATOM 743 OE1 GLN A 78 5.117 -12.953 9.221 1.00 16.10 O ATOM 744 NE2 GLN A 78 4.990 -11.783 11.127 1.00 13.72 N ATOM 745 HE22 GLN A 78 4.729 -10.891 11.593 1.00 0.00 H ATOM 746 HE21 GLN A 78 5.380 -12.568 11.687 1.00 0.00 H ATOM 747 H GLN A 78 2.166 -10.946 5.518 1.00 0.00 H ATOM 748 N ILE A 79 3.221 -7.754 7.854 1.00 8.70 N ATOM 749 CA ILE A 79 3.968 -6.520 7.649 1.00 8.76 C ATOM 750 C ILE A 79 5.334 -6.646 8.315 1.00 9.76 C ATOM 751 O ILE A 79 5.438 -6.712 9.542 1.00 12.87 O ATOM 752 CB ILE A 79 3.229 -5.301 8.200 1.00 9.81 C ATOM 753 CG1 ILE A 79 1.769 -5.277 7.687 1.00 11.75 C ATOM 754 CG2 ILE A 79 3.968 -4.021 7.839 1.00 12.90 C ATOM 755 CD1 ILE A 79 1.602 -5.469 6.173 1.00 14.30 C ATOM 756 H ILE A 79 2.592 -7.825 8.679 1.00 0.00 H ATOM 757 N HIS A 80 6.386 -6.670 7.513 1.00 9.57 N ATOM 758 CA HIS A 80 7.744 -6.818 8.007 1.00 10.15 C ATOM 759 C HIS A 80 8.461 -5.496 8.269 1.00 12.33 C ATOM 760 O HIS A 80 9.365 -5.460 9.090 1.00 15.84 O ATOM 761 CB HIS A 80 8.560 -7.680 7.048 1.00 12.45 C ATOM 762 CG HIS A 80 8.177 -9.121 7.086 1.00 12.52 C ATOM 763 ND1 HIS A 80 8.563 -9.967 8.107 1.00 14.35 N ATOM 764 CD2 HIS A 80 7.415 -9.866 6.251 1.00 14.09 C ATOM 765 CE1 HIS A 80 8.081 -11.175 7.878 1.00 14.99 C ATOM 766 NE2 HIS A 80 7.382 -11.143 6.759 1.00 14.84 N ATOM 767 H HIS A 80 6.235 -6.579 6.488 1.00 0.00 H ATOM 768 N ARG A 81 8.053 -4.422 7.600 1.00 10.61 N ATOM 769 CA ARG A 81 8.620 -3.096 7.844 1.00 13.63 C ATOM 770 C ARG A 81 7.607 -2.036 7.436 1.00 12.38 C ATOM 771 O ARG A 81 7.021 -2.099 6.348 1.00 12.00 O ATOM 772 CB ARG A 81 9.905 -2.886 7.046 1.00 13.78 C ATOM 773 CG ARG A 81 10.699 -1.640 7.445 1.00 18.72 C ATOM 774 CD ARG A 81 12.150 -1.704 6.958 1.00 26.34 C ATOM 775 NE ARG A 81 12.264 -1.672 5.503 1.00 29.95 N ATOM 776 CZ ARG A 81 12.337 -0.565 4.772 1.00 34.07 C ATOM 777 NH1 ARG A 81 12.303 0.628 5.350 1.00 34.00 N ATOM 778 NH2 ARG A 81 12.443 -0.654 3.452 1.00 36.10 N ATOM 779 HE ARG A 81 12.290 -2.583 5.002 1.00 0.00 H ATOM 780 HH12 ARG A 81 12.361 1.489 4.769 1.00 0.00 H ATOM 781 HH11 ARG A 81 12.219 0.703 6.384 1.00 0.00 H ATOM 782 HH22 ARG A 81 12.500 0.210 2.876 1.00 0.00 H ATOM 783 HH21 ARG A 81 12.469 -1.587 2.994 1.00 0.00 H ATOM 784 H ARG A 81 7.308 -4.528 6.882 1.00 0.00 H ATOM 785 N PHE A 82 7.417 -1.048 8.303 1.00 12.21 N ATOM 786 CA PHE A 82 6.532 0.070 7.998 1.00 11.75 C ATOM 787 C PHE A 82 7.034 1.327 8.677 1.00 13.30 C ATOM 788 O PHE A 82 7.841 1.260 9.604 1.00 14.60 O ATOM 789 CB PHE A 82 5.078 -0.218 8.408 1.00 12.01 C ATOM 790 CG PHE A 82 4.865 -0.400 9.903 1.00 12.03 C ATOM 791 CD1 PHE A 82 5.010 -1.651 10.505 1.00 13.44 C ATOM 792 CD2 PHE A 82 4.493 0.667 10.692 1.00 13.09 C ATOM 793 CE1 PHE A 82 4.803 -1.820 11.859 1.00 15.21 C ATOM 794 CE2 PHE A 82 4.281 0.487 12.064 1.00 15.99 C ATOM 795 CZ PHE A 82 4.429 -0.763 12.625 1.00 15.59 C ATOM 796 H PHE A 82 7.910 -1.072 9.219 1.00 0.00 H ATOM 797 N ILE A 83 6.558 2.463 8.180 1.00 14.24 N ATOM 798 CA ILE A 83 6.916 3.789 8.672 1.00 16.83 C ATOM 799 C ILE A 83 5.590 4.518 8.916 1.00 15.88 C ATOM 800 O ILE A 83 4.626 4.314 8.187 1.00 17.33 O ATOM 801 CB ILE A 83 7.784 4.566 7.614 1.00 22.30 C ATOM 802 CG1 ILE A 83 9.119 3.844 7.399 1.00 26.73 C ATOM 803 CG2 ILE A 83 8.017 6.002 8.024 1.00 26.12 C ATOM 804 CD1 ILE A 83 9.825 4.236 6.113 1.00 29.40 C ATOM 805 H ILE A 83 5.886 2.403 7.388 1.00 0.00 H ATOM 806 N VAL A 84 5.534 5.329 9.962 1.00 16.31 N ATOM 807 CA VAL A 84 4.393 6.194 10.227 1.00 16.22 C ATOM 808 C VAL A 84 4.822 7.640 9.960 1.00 17.25 C ATOM 809 O VAL A 84 5.899 8.076 10.383 1.00 19.95 O ATOM 810 CB VAL A 84 3.911 6.052 11.689 1.00 19.14 C ATOM 811 CG1 VAL A 84 2.799 7.056 11.999 1.00 21.29 C ATOM 812 CG2 VAL A 84 3.449 4.628 11.964 1.00 19.82 C ATOM 813 H VAL A 84 6.338 5.349 10.621 1.00 0.00 H ATOM 814 N ASN A 85 3.980 8.348 9.214 1.00 14.55 N ATOM 815 CA ASN A 85 4.134 9.766 8.925 1.00 15.55 C ATOM 816 C ASN A 85 2.900 10.509 9.460 1.00 13.32 C ATOM 817 O ASN A 85 1.801 9.975 9.456 1.00 18.34 O ATOM 818 CB ASN A 85 4.270 9.951 7.404 1.00 19.10 C ATOM 819 CG ASN A 85 4.627 11.372 6.998 1.00 23.40 C ATOM 820 OD1 ASN A 85 5.552 11.970 7.535 1.00 24.10 O ATOM 821 ND2 ASN A 85 3.899 11.908 6.023 1.00 24.91 N ATOM 822 HD22 ASN A 85 3.122 11.365 5.595 1.00 0.00 H ATOM 823 HD21 ASN A 85 4.106 12.871 5.688 1.00 0.00 H ATOM 824 H ASN A 85 3.157 7.856 8.810 1.00 0.00 H ATOM 825 N THR A 86 3.081 11.736 9.889 1.00 11.01 N ATOM 826 CA THR A 86 1.973 12.539 10.375 1.00 10.18 C ATOM 827 C THR A 86 1.876 13.788 9.499 1.00 10.13 C ATOM 828 O THR A 86 2.866 14.515 9.292 1.00 11.25 O ATOM 829 CB THR A 86 2.195 12.903 11.856 1.00 11.26 C ATOM 830 OG1 THR A 86 2.339 11.697 12.615 1.00 11.63 O ATOM 831 CG2 THR A 86 1.040 13.720 12.414 1.00 11.86 C ATOM 832 HG1 THR A 86 2.482 11.923 13.568 1.00 0.00 H ATOM 833 H THR A 86 4.038 12.142 9.881 1.00 0.00 H ATOM 834 N LEU A 87 0.675 14.037 9.006 1.00 10.68 N ATOM 835 CA LEU A 87 0.396 15.178 8.159 1.00 11.43 C ATOM 836 C LEU A 87 0.245 16.458 8.970 1.00 12.18 C ATOM 837 O LEU A 87 0.050 16.411 10.191 1.00 11.20 O ATOM 838 CB LEU A 87 -0.888 14.913 7.398 1.00 14.11 C ATOM 839 CG LEU A 87 -0.894 13.646 6.531 1.00 16.08 C ATOM 840 CD1 LEU A 87 -2.165 13.607 5.709 1.00 19.63 C ATOM 841 CD2 LEU A 87 0.317 13.556 5.596 1.00 18.66 C ATOM 842 H LEU A 87 -0.103 13.386 9.236 1.00 0.00 H ATOM 843 N LYS A 88 0.316 17.602 8.299 1.00 13.47 N ATOM 844 CA LYS A 88 0.153 18.888 8.969 1.00 14.38 C ATOM 845 C LYS A 88 -1.162 18.982 9.729 1.00 14.39 C ATOM 846 O LYS A 88 -1.218 19.628 10.778 1.00 16.06 O ATOM 847 CB LYS A 88 0.201 20.028 7.959 1.00 20.13 C ATOM 848 CG LYS A 88 1.558 20.240 7.383 1.00 23.25 C ATOM 849 CD LYS A 88 1.574 21.422 6.427 1.00 29.47 C ATOM 850 CE LYS A 88 0.799 21.142 5.156 1.00 33.28 C ATOM 851 NZ LYS A 88 1.056 22.211 4.145 1.00 36.87 N ATOM 852 HZ1 LYS A 88 0.757 23.130 4.530 1.00 0.00 H ATOM 853 HZ2 LYS A 88 2.072 22.241 3.924 1.00 0.00 H ATOM 854 HZ3 LYS A 88 0.518 22.005 3.279 1.00 0.00 H ATOM 855 H LYS A 88 0.492 17.581 7.274 1.00 0.00 H ATOM 856 N ASP A 89 -2.208 18.341 9.207 1.00 15.61 N ATOM 857 CA ASP A 89 -3.520 18.400 9.839 1.00 15.93 C ATOM 858 C ASP A 89 -3.716 17.437 11.005 1.00 14.40 C ATOM 859 O ASP A 89 -4.728 17.495 11.684 1.00 15.63 O ATOM 860 CB ASP A 89 -4.659 18.261 8.820 1.00 18.18 C ATOM 861 CG ASP A 89 -4.689 16.917 8.114 1.00 21.26 C ATOM 862 OD1 ASP A 89 -4.296 15.880 8.665 1.00 19.49 O ATOM 863 OD2 ASP A 89 -5.173 16.896 6.965 1.00 27.74 O ATOM 864 H ASP A 89 -2.086 17.789 8.334 1.00 0.00 H ATOM 865 N GLY A 90 -2.716 16.598 11.266 1.00 12.41 N ATOM 866 CA GLY A 90 -2.731 15.701 12.404 1.00 12.39 C ATOM 867 C GLY A 90 -2.957 14.245 12.064 1.00 11.21 C ATOM 868 O GLY A 90 -2.713 13.361 12.897 1.00 13.62 O ATOM 869 H GLY A 90 -1.894 16.586 10.630 1.00 0.00 H ATOM 870 N ARG A 91 -3.427 13.970 10.849 1.00 13.56 N ATOM 871 CA ARG A 91 -3.685 12.598 10.437 1.00 13.25 C ATOM 872 C ARG A 91 -2.403 11.801 10.294 1.00 13.45 C ATOM 873 O ARG A 91 -1.378 12.306 9.828 1.00 14.06 O ATOM 874 CB ARG A 91 -4.433 12.586 9.119 1.00 16.91 C ATOM 875 CG ARG A 91 -5.896 12.945 9.283 1.00 21.05 C ATOM 876 CD ARG A 91 -6.603 12.883 7.954 1.00 22.81 C ATOM 877 NE ARG A 91 -6.046 13.852 7.016 1.00 25.12 N ATOM 878 CZ ARG A 91 -6.396 13.946 5.737 1.00 28.39 C ATOM 879 NH1 ARG A 91 -5.824 14.862 4.968 1.00 30.14 N ATOM 880 NH2 ARG A 91 -7.307 13.126 5.223 1.00 31.40 N ATOM 881 HE ARG A 91 -5.327 14.514 7.372 1.00 0.00 H ATOM 882 HH12 ARG A 91 -6.093 14.942 3.966 1.00 0.00 H ATOM 883 HH11 ARG A 91 -5.107 15.501 5.366 1.00 0.00 H ATOM 884 HH22 ARG A 91 -7.574 13.208 4.221 1.00 0.00 H ATOM 885 HH21 ARG A 91 -7.753 12.403 5.823 1.00 0.00 H ATOM 886 H ARG A 91 -3.613 14.748 10.184 1.00 0.00 H ATOM 887 N ARG A 92 -2.463 10.538 10.682 1.00 14.30 N ATOM 888 CA ARG A 92 -1.337 9.653 10.469 1.00 14.57 C ATOM 889 C ARG A 92 -1.558 8.726 9.304 1.00 14.11 C ATOM 890 O ARG A 92 -2.669 8.252 9.046 1.00 17.03 O ATOM 891 CB ARG A 92 -1.043 8.887 11.729 1.00 18.19 C ATOM 892 CG ARG A 92 -0.500 9.889 12.720 1.00 22.23 C ATOM 893 CD ARG A 92 -0.028 9.307 13.966 1.00 23.20 C ATOM 894 NE ARG A 92 0.811 10.245 14.714 1.00 18.75 N ATOM 895 CZ ARG A 92 0.973 10.169 16.024 1.00 16.55 C ATOM 896 NH1 ARG A 92 0.335 9.231 16.714 1.00 19.86 N ATOM 897 NH2 ARG A 92 1.770 11.022 16.640 1.00 14.90 N ATOM 898 HE ARG A 92 1.299 11.002 14.194 1.00 0.00 H ATOM 899 HH12 ARG A 92 0.460 9.168 17.745 1.00 0.00 H ATOM 900 HH11 ARG A 92 -0.290 8.559 16.224 1.00 0.00 H ATOM 901 HH22 ARG A 92 1.898 10.963 17.670 1.00 0.00 H ATOM 902 HH21 ARG A 92 2.270 11.753 16.095 1.00 0.00 H ATOM 903 H ARG A 92 -3.323 10.179 11.143 1.00 0.00 H ATOM 904 N VAL A 93 -0.456 8.488 8.603 1.00 12.83 N ATOM 905 CA VAL A 93 -0.409 7.631 7.432 1.00 13.86 C ATOM 906 C VAL A 93 0.648 6.556 7.692 1.00 12.97 C ATOM 907 O VAL A 93 1.762 6.864 8.147 1.00 15.11 O ATOM 908 CB VAL A 93 -0.021 8.456 6.190 1.00 16.60 C ATOM 909 CG1 VAL A 93 0.092 7.573 4.965 1.00 18.81 C ATOM 910 CG2 VAL A 93 -1.044 9.539 5.951 1.00 18.49 C ATOM 911 H VAL A 93 0.427 8.943 8.911 1.00 0.00 H ATOM 912 N VAL A 94 0.303 5.301 7.403 1.00 12.21 N ATOM 913 CA VAL A 94 1.228 4.195 7.578 1.00 12.02 C ATOM 914 C VAL A 94 1.713 3.754 6.206 1.00 12.71 C ATOM 915 O VAL A 94 0.904 3.396 5.338 1.00 14.45 O ATOM 916 CB VAL A 94 0.547 3.027 8.307 1.00 13.51 C ATOM 917 CG1 VAL A 94 1.519 1.876 8.496 1.00 14.23 C ATOM 918 CG2 VAL A 94 -0.031 3.483 9.650 1.00 17.54 C ATOM 919 H VAL A 94 -0.654 5.109 7.043 1.00 0.00 H ATOM 920 N ILE A 95 3.020 3.837 5.971 1.00 11.78 N ATOM 921 CA ILE A 95 3.574 3.376 4.700 1.00 10.82 C ATOM 922 C ILE A 95 4.142 1.969 4.880 1.00 11.59 C ATOM 923 O ILE A 95 5.048 1.735 5.707 1.00 11.93 O ATOM 924 CB ILE A 95 4.662 4.324 4.154 1.00 13.46 C ATOM 925 CG1 ILE A 95 4.172 5.780 4.152 1.00 14.99 C ATOM 926 CG2 ILE A 95 5.118 3.881 2.765 1.00 15.32 C ATOM 927 CD1 ILE A 95 3.096 6.088 3.120 1.00 18.56 C ATOM 928 H ILE A 95 3.651 4.233 6.697 1.00 0.00 H ATOM 929 N LEU A 96 3.606 1.043 4.098 1.00 10.94 N ATOM 930 CA LEU A 96 4.020 -0.349 4.128 1.00 10.72 C ATOM 931 C LEU A 96 5.238 -0.541 3.226 1.00 10.56 C ATOM 932 O LEU A 96 5.145 -0.356 1.994 1.00 12.87 O ATOM 933 CB LEU A 96 2.876 -1.251 3.686 1.00 10.93 C ATOM 934 CG LEU A 96 1.589 -1.096 4.495 1.00 11.14 C ATOM 935 CD1 LEU A 96 0.519 -1.980 3.884 1.00 13.70 C ATOM 936 CD2 LEU A 96 1.777 -1.431 5.972 1.00 13.48 C ATOM 937 H LEU A 96 2.857 1.325 3.434 1.00 0.00 H ATOM 938 N MET A 97 6.385 -0.887 3.822 1.00 10.66 N ATOM 939 CA MET A 97 7.653 -0.971 3.095 1.00 11.53 C ATOM 940 C MET A 97 8.038 -2.376 2.698 1.00 11.81 C ATOM 941 O MET A 97 8.596 -2.576 1.625 1.00 12.45 O ATOM 942 CB MET A 97 8.773 -0.388 3.932 1.00 12.58 C ATOM 943 CG MET A 97 8.586 1.053 4.352 1.00 15.01 C ATOM 944 SD MET A 97 8.384 2.239 3.011 1.00 19.87 S ATOM 945 CE MET A 97 9.858 2.000 2.029 1.00 22.20 C ATOM 946 H MET A 97 6.375 -1.104 4.839 1.00 0.00 H ATOM 947 N GLU A 98 7.777 -3.337 3.576 1.00 10.43 N ATOM 948 CA GLU A 98 8.039 -4.748 3.288 1.00 9.44 C ATOM 949 C GLU A 98 6.860 -5.535 3.817 1.00 10.21 C ATOM 950 O GLU A 98 6.432 -5.335 4.968 1.00 11.20 O ATOM 951 CB GLU A 98 9.308 -5.261 3.969 1.00 11.86 C ATOM 952 CG GLU A 98 10.608 -4.805 3.347 1.00 17.91 C ATOM 953 CD GLU A 98 11.808 -5.531 3.937 1.00 27.19 C ATOM 954 OE1 GLU A 98 11.617 -6.316 4.891 1.00 29.19 O ATOM 955 OE2 GLU A 98 12.933 -5.330 3.439 1.00 32.40 O ATOM 956 H GLU A 98 7.373 -3.079 4.499 1.00 0.00 H ATOM 957 N LEU A 99 6.331 -6.420 2.987 1.00 11.20 N ATOM 958 CA LEU A 99 5.312 -7.337 3.462 1.00 14.75 C ATOM 959 C LEU A 99 5.336 -8.638 2.699 1.00 14.14 C ATOM 960 O LEU A 99 5.886 -8.758 1.603 1.00 17.37 O ATOM 961 CB LEU A 99 3.925 -6.718 3.459 1.00 17.92 C ATOM 962 CG LEU A 99 3.374 -6.422 2.083 1.00 17.50 C ATOM 963 CD1 LEU A 99 2.731 -7.647 1.318 1.00 20.85 C ATOM 964 CD2 LEU A 99 2.355 -5.276 2.131 1.00 21.94 C ATOM 965 H LEU A 99 6.645 -6.458 1.996 1.00 0.00 H ATOM 966 N GLU A 100 4.768 -9.633 3.343 1.00 11.79 N ATOM 967 CA GLU A 100 4.683 -10.977 2.801 1.00 10.58 C ATOM 968 C GLU A 100 3.231 -11.393 2.756 1.00 9.75 C ATOM 969 O GLU A 100 2.525 -11.215 3.731 1.00 13.51 O ATOM 970 CB GLU A 100 5.450 -11.900 3.734 1.00 14.44 C ATOM 971 CG GLU A 100 5.220 -13.358 3.519 1.00 18.04 C ATOM 972 CD GLU A 100 6.004 -14.189 4.508 1.00 20.71 C ATOM 973 OE1 GLU A 100 6.024 -15.423 4.342 1.00 22.60 O ATOM 974 OE2 GLU A 100 6.603 -13.604 5.446 1.00 21.95 O ATOM 975 H GLU A 100 4.361 -9.449 4.282 1.00 0.00 H ATOM 976 N VAL A 101 2.793 -11.933 1.629 1.00 10.02 N ATOM 977 CA VAL A 101 1.447 -12.482 1.537 1.00 10.65 C ATOM 978 C VAL A 101 1.478 -13.897 2.106 1.00 10.65 C ATOM 979 O VAL A 101 2.168 -14.770 1.580 1.00 15.09 O ATOM 980 CB VAL A 101 0.932 -12.486 0.096 1.00 12.88 C ATOM 981 CG1 VAL A 101 -0.483 -13.072 0.031 1.00 17.13 C ATOM 982 CG2 VAL A 101 0.946 -11.069 -0.461 1.00 14.87 C ATOM 983 H VAL A 101 3.418 -11.966 0.799 1.00 0.00 H ATOM 984 N LEU A 102 0.803 -14.114 3.219 1.00 9.63 N ATOM 985 CA LEU A 102 0.753 -15.435 3.837 1.00 10.87 C ATOM 986 C LEU A 102 -0.309 -16.331 3.219 1.00 11.05 C ATOM 987 O LEU A 102 -0.092 -17.528 3.079 1.00 13.41 O ATOM 988 CB LEU A 102 0.494 -15.320 5.339 1.00 10.61 C ATOM 989 CG LEU A 102 1.524 -14.530 6.152 1.00 11.40 C ATOM 990 CD1 LEU A 102 1.101 -14.517 7.615 1.00 12.66 C ATOM 991 CD2 LEU A 102 2.910 -15.127 5.989 1.00 14.71 C ATOM 992 H LEU A 102 0.295 -13.325 3.666 1.00 0.00 H ATOM 993 N LYS A 103 -1.446 -15.745 2.875 1.00 10.28 N ATOM 994 CA LYS A 103 -2.518 -16.483 2.227 1.00 11.88 C ATOM 995 C LYS A 103 -3.119 -15.607 1.145 1.00 10.53 C ATOM 996 O LYS A 103 -3.438 -14.446 1.376 1.00 11.57 O ATOM 997 CB LYS A 103 -3.608 -16.836 3.226 1.00 14.38 C ATOM 998 CG LYS A 103 -3.133 -17.734 4.346 1.00 21.22 C ATOM 999 CD LYS A 103 -4.287 -18.324 5.120 1.00 26.55 C ATOM 1000 CE LYS A 103 -4.968 -19.430 4.328 1.00 33.12 C ATOM 1001 NZ LYS A 103 -4.141 -20.667 4.263 1.00 38.59 N ATOM 1002 HZ1 LYS A 103 -3.233 -20.452 3.803 1.00 0.00 H ATOM 1003 HZ2 LYS A 103 -3.968 -21.018 5.227 1.00 0.00 H ATOM 1004 HZ3 LYS A 103 -4.646 -21.392 3.714 1.00 0.00 H ATOM 1005 H LYS A 103 -1.575 -14.732 3.073 1.00 0.00 H ATOM 1006 N SER A 104 -3.228 -16.149 -0.054 1.00 11.66 N ATOM 1007 CA SER A 104 -3.760 -15.391 -1.172 1.00 11.64 C ATOM 1008 C SER A 104 -5.233 -15.050 -0.949 1.00 11.01 C ATOM 1009 O SER A 104 -5.951 -15.722 -0.185 1.00 10.72 O ATOM 1010 CB SER A 104 -3.661 -16.203 -2.444 1.00 14.27 C ATOM 1011 OG SER A 104 -4.635 -17.231 -2.410 1.00 16.67 O ATOM 1012 HG SER A 104 -4.576 -17.767 -3.240 1.00 0.00 H ATOM 1013 H SER A 104 -2.928 -17.134 -0.200 1.00 0.00 H ATOM 1014 N ALA A 105 -5.707 -14.053 -1.684 1.00 10.74 N ATOM 1015 CA ALA A 105 -7.120 -13.687 -1.620 1.00 11.75 C ATOM 1016 C ALA A 105 -8.006 -14.879 -1.911 1.00 12.13 C ATOM 1017 O ALA A 105 -9.036 -15.075 -1.273 1.00 12.67 O ATOM 1018 CB ALA A 105 -7.415 -12.583 -2.585 1.00 13.27 C ATOM 1019 H ALA A 105 -5.067 -13.527 -2.312 1.00 0.00 H ATOM 1020 N GLU A 106 -7.600 -15.672 -2.903 1.00 12.47 N ATOM 1021 CA GLU A 106 -8.411 -16.794 -3.378 1.00 14.44 C ATOM 1022 C GLU A 106 -8.484 -17.903 -2.309 1.00 12.76 C ATOM 1023 O GLU A 106 -9.464 -18.632 -2.244 1.00 14.70 O ATOM 1024 CB GLU A 106 -7.896 -17.325 -4.730 1.00 14.84 C ATOM 1025 CG GLU A 106 -7.950 -16.299 -5.897 1.00 16.29 C ATOM 1026 CD GLU A 106 -6.918 -15.172 -5.819 1.00 18.00 C ATOM 1027 OE1 GLU A 106 -5.841 -15.381 -5.218 1.00 17.87 O ATOM 1028 OE2 GLU A 106 -7.196 -14.074 -6.365 1.00 24.85 O ATOM 1029 H GLU A 106 -6.680 -15.488 -3.352 1.00 0.00 H ATOM 1030 N ALA A 107 -7.460 -18.010 -1.463 1.00 11.43 N ATOM 1031 CA ALA A 107 -7.389 -19.028 -0.419 1.00 13.58 C ATOM 1032 C ALA A 107 -8.097 -18.601 0.863 1.00 13.82 C ATOM 1033 O ALA A 107 -8.321 -19.413 1.748 1.00 19.50 O ATOM 1034 CB ALA A 107 -5.940 -19.353 -0.111 1.00 14.46 C ATOM 1035 H ALA A 107 -6.673 -17.336 -1.551 1.00 0.00 H ATOM 1036 N VAL A 108 -8.422 -17.324 0.982 1.00 11.23 N ATOM 1037 CA VAL A 108 -9.154 -16.805 2.149 1.00 11.63 C ATOM 1038 C VAL A 108 -10.618 -16.524 1.781 1.00 12.58 C ATOM 1039 O VAL A 108 -11.536 -17.131 2.333 1.00 15.85 O ATOM 1040 CB VAL A 108 -8.492 -15.520 2.718 1.00 11.66 C ATOM 1041 CG1 VAL A 108 -9.235 -15.031 3.958 1.00 12.18 C ATOM 1042 CG2 VAL A 108 -7.029 -15.775 3.052 1.00 12.44 C ATOM 1043 H VAL A 108 -8.151 -16.664 0.225 1.00 0.00 H ATOM 1044 N GLY A 109 -10.834 -15.618 0.834 1.00 11.45 N ATOM 1045 CA GLY A 109 -12.124 -15.525 0.160 1.00 12.67 C ATOM 1046 C GLY A 109 -13.201 -14.656 0.775 1.00 11.37 C ATOM 1047 O GLY A 109 -14.221 -14.409 0.144 1.00 11.89 O ATOM 1048 H GLY A 109 -10.070 -14.964 0.569 1.00 0.00 H ATOM 1049 N VAL A 110 -12.975 -14.191 2.002 1.00 11.71 N ATOM 1050 CA VAL A 110 -13.980 -13.458 2.747 1.00 12.41 C ATOM 1051 C VAL A 110 -13.275 -12.515 3.707 1.00 10.65 C ATOM 1052 O VAL A 110 -12.146 -12.776 4.119 1.00 11.02 O ATOM 1053 CB VAL A 110 -14.917 -14.409 3.587 1.00 13.94 C ATOM 1054 CG1 VAL A 110 -15.687 -15.397 2.697 1.00 17.59 C ATOM 1055 CG2 VAL A 110 -14.126 -15.168 4.635 1.00 15.62 C ATOM 1056 H VAL A 110 -12.047 -14.359 2.440 1.00 0.00 H ATOM 1057 N LYS A 111 -13.951 -11.440 4.090 1.00 12.05 N ATOM 1058 CA LYS A 111 -13.507 -10.631 5.211 1.00 11.69 C ATOM 1059 C LYS A 111 -13.618 -11.448 6.498 1.00 13.29 C ATOM 1060 O LYS A 111 -14.669 -12.001 6.808 1.00 16.00 O ATOM 1061 CB LYS A 111 -14.360 -9.349 5.315 1.00 14.09 C ATOM 1062 CG LYS A 111 -14.061 -8.538 6.595 1.00 14.89 C ATOM 1063 CD LYS A 111 -14.661 -7.130 6.579 1.00 20.29 C ATOM 1064 CE LYS A 111 -16.157 -7.148 6.607 1.00 23.98 C ATOM 1065 NZ LYS A 111 -16.679 -5.766 6.778 1.00 27.62 N ATOM 1066 HZ1 LYS A 111 -16.324 -5.371 7.672 1.00 0.00 H ATOM 1067 HZ2 LYS A 111 -16.358 -5.175 5.985 1.00 0.00 H ATOM 1068 HZ3 LYS A 111 -17.719 -5.789 6.796 1.00 0.00 H ATOM 1069 H LYS A 111 -14.815 -11.172 3.578 1.00 0.00 H ATOM 1070 N ILE A 112 -12.523 -11.506 7.242 1.00 10.85 N ATOM 1071 CA ILE A 112 -12.456 -12.246 8.497 1.00 10.71 C ATOM 1072 C ILE A 112 -13.053 -11.422 9.644 1.00 11.74 C ATOM 1073 O ILE A 112 -12.693 -10.257 9.854 1.00 12.09 O ATOM 1074 CB ILE A 112 -10.997 -12.610 8.788 1.00 11.48 C ATOM 1075 CG1 ILE A 112 -10.515 -13.629 7.762 1.00 12.35 C ATOM 1076 CG2 ILE A 112 -10.821 -13.134 10.225 1.00 14.00 C ATOM 1077 CD1 ILE A 112 -9.008 -13.768 7.730 1.00 15.53 C ATOM 1078 H ILE A 112 -11.674 -11.001 6.917 1.00 0.00 H ATOM 1079 N GLY A 113 -13.972 -12.022 10.394 1.00 13.37 N ATOM 1080 CA GLY A 113 -14.529 -11.379 11.564 1.00 14.80 C ATOM 1081 C GLY A 113 -15.440 -10.216 11.225 1.00 15.03 C ATOM 1082 O GLY A 113 -15.968 -10.100 10.113 1.00 16.40 O ATOM 1083 H GLY A 113 -14.298 -12.975 10.134 1.00 0.00 H ATOM 1084 N ASN A 114 -15.610 -9.341 12.209 1.00 15.67 N ATOM 1085 CA ASN A 114 -16.462 -8.169 12.074 1.00 16.36 C ATOM 1086 C ASN A 114 -15.747 -6.922 12.608 1.00 14.31 C ATOM 1087 O ASN A 114 -16.190 -6.286 13.574 1.00 15.54 O ATOM 1088 CB ASN A 114 -17.787 -8.380 12.807 1.00 21.58 C ATOM 1089 CG ASN A 114 -18.786 -7.254 12.548 1.00 27.91 C ATOM 1090 OD1 ASN A 114 -18.707 -6.561 11.529 1.00 30.50 O ATOM 1091 ND2 ASN A 114 -19.723 -7.067 13.470 1.00 35.18 N ATOM 1092 HD22 ASN A 114 -19.752 -7.675 14.313 1.00 0.00 H ATOM 1093 HD21 ASN A 114 -20.428 -6.312 13.349 1.00 0.00 H ATOM 1094 H ASN A 114 -15.116 -9.499 13.110 1.00 0.00 H ATOM 1095 N PRO A 115 -14.639 -6.549 11.966 1.00 12.24 N ATOM 1096 CA PRO A 115 -13.880 -5.388 12.425 1.00 13.21 C ATOM 1097 C PRO A 115 -14.646 -4.086 12.235 1.00 13.74 C ATOM 1098 O PRO A 115 -15.428 -3.948 11.288 1.00 16.27 O ATOM 1099 CB PRO A 115 -12.619 -5.437 11.546 1.00 12.00 C ATOM 1100 CG PRO A 115 -13.085 -6.112 10.273 1.00 12.68 C ATOM 1101 CD PRO A 115 -14.017 -7.186 10.785 1.00 11.43 C ATOM 1102 N VAL A 116 -14.378 -3.114 13.106 1.00 13.17 N ATOM 1103 CA VAL A 116 -15.067 -1.822 13.070 1.00 15.80 C ATOM 1104 C VAL A 116 -14.047 -0.733 12.797 1.00 12.62 C ATOM 1105 O VAL A 116 -12.877 -0.852 13.143 1.00 12.39 O ATOM 1106 CB VAL A 116 -15.833 -1.493 14.371 1.00 18.20 C ATOM 1107 CG1 VAL A 116 -16.906 -2.522 14.620 1.00 19.89 C ATOM 1108 CG2 VAL A 116 -14.899 -1.409 15.551 1.00 18.90 C ATOM 1109 H VAL A 116 -13.655 -3.278 13.836 1.00 0.00 H ATOM 1110 N PRO A 117 -14.471 0.352 12.161 1.00 14.54 N ATOM 1111 CA PRO A 117 -13.485 1.391 11.841 1.00 14.03 C ATOM 1112 C PRO A 117 -12.770 1.960 13.063 1.00 14.48 C ATOM 1113 O PRO A 117 -13.400 2.287 14.083 1.00 16.01 O ATOM 1114 CB PRO A 117 -14.338 2.468 11.154 1.00 17.99 C ATOM 1115 CG PRO A 117 -15.493 1.701 10.605 1.00 18.60 C ATOM 1116 CD PRO A 117 -15.805 0.697 11.652 1.00 17.72 C ATOM 1117 N TYR A 118 -11.452 2.084 12.942 1.00 14.58 N ATOM 1118 CA TYR A 118 -10.657 2.760 13.945 1.00 15.47 C ATOM 1119 C TYR A 118 -10.879 4.249 13.862 1.00 17.24 C ATOM 1120 O TYR A 118 -10.840 4.841 12.793 1.00 23.32 O ATOM 1121 CB TYR A 118 -9.174 2.434 13.762 1.00 16.81 C ATOM 1122 CG TYR A 118 -8.318 2.994 14.858 1.00 18.94 C ATOM 1123 CD1 TYR A 118 -8.176 2.329 16.061 1.00 20.57 C ATOM 1124 CD2 TYR A 118 -7.646 4.190 14.680 1.00 20.72 C ATOM 1125 CE1 TYR A 118 -7.396 2.852 17.067 1.00 23.87 C ATOM 1126 CE2 TYR A 118 -6.872 4.724 15.668 1.00 24.09 C ATOM 1127 CZ TYR A 118 -6.740 4.055 16.861 1.00 24.28 C ATOM 1128 OH TYR A 118 -5.948 4.613 17.840 1.00 29.54 O ATOM 1129 HH TYR A 118 -5.947 4.025 18.637 1.00 0.00 H ATOM 1130 H TYR A 118 -10.980 1.685 12.105 1.00 0.00 H ATOM 1131 N ASN A 119 -11.127 4.844 15.018 1.00 20.25 N ATOM 1132 CA ASN A 119 -11.289 6.277 15.122 1.00 26.79 C ATOM 1133 C ASN A 119 -10.017 6.880 15.668 1.00 26.08 C ATOM 1134 O ASN A 119 -9.662 6.676 16.827 1.00 28.39 O ATOM 1135 CB ASN A 119 -12.480 6.608 16.017 1.00 32.86 C ATOM 1136 CG ASN A 119 -13.790 6.110 15.437 1.00 37.65 C ATOM 1137 OD1 ASN A 119 -14.076 6.311 14.255 1.00 37.92 O ATOM 1138 ND2 ASN A 119 -14.582 5.435 16.259 1.00 40.11 N ATOM 1139 HD22 ASN A 119 -14.300 5.289 17.249 1.00 0.00 H ATOM 1140 HD21 ASN A 119 -15.485 5.051 15.913 1.00 0.00 H ATOM 1141 H ASN A 119 -11.208 4.263 15.877 1.00 0.00 H ATOM 1142 N GLU A 120 -9.315 7.593 14.800 1.00 28.60 N ATOM 1143 CA GLU A 120 -8.081 8.269 15.165 1.00 31.16 C ATOM 1144 C GLU A 120 -8.272 9.332 16.243 1.00 32.81 C ATOM 1145 O GLU A 120 -7.369 9.564 17.050 1.00 37.33 O ATOM 1146 CB GLU A 120 -7.494 8.941 13.930 1.00 33.17 C ATOM 1147 CG GLU A 120 -6.231 8.322 13.431 1.00 32.81 C ATOM 1148 CD GLU A 120 -5.666 9.105 12.274 1.00 31.46 C ATOM 1149 OE1 GLU A 120 -6.371 9.264 11.256 1.00 35.13 O ATOM 1150 OE2 GLU A 120 -4.533 9.585 12.398 1.00 27.48 O ATOM 1151 OXT GLU A 120 -9.309 9.995 16.317 1.00 30.60 O ATOM 1152 H GLU A 120 -9.659 7.672 13.822 1.00 0.00 H TER 1153 GLU A 120 HETATM 1154 O HOH 1 5.592 13.797 9.942 1.00 12.17 O HETATM 1155 O HOH 2 -10.827 -8.756 8.664 1.00 11.85 O HETATM 1156 O HOH 3 -6.753 -2.502 16.927 1.00 16.16 O HETATM 1157 O HOH 4 1.951 2.432 -4.002 1.00 14.68 O HETATM 1158 O HOH 5 -3.795 -10.367 19.412 1.00 16.27 O HETATM 1159 O HOH 6 -10.917 -20.248 -0.647 1.00 18.73 O HETATM 1160 O HOH 7 -11.859 1.893 8.598 1.00 24.21 O HETATM 1161 O HOH 8 -2.324 -18.913 -0.262 1.00 20.44 O HETATM 1162 O HOH 9 -4.032 -12.133 -3.120 1.00 18.54 O HETATM 1163 O HOH 10 -16.829 -5.668 9.579 1.00 22.07 O HETATM 1164 O HOH 11 8.540 -1.800 10.948 1.00 21.35 O HETATM 1165 O HOH 12 9.598 2.377 -2.791 1.00 26.47 O HETATM 1166 O HOH 13 5.884 -11.356 -13.716 1.00 23.70 O HETATM 1167 O HOH 14 -7.852 -6.065 -4.835 1.00 23.22 O HETATM 1168 O HOH 15 -11.276 4.095 10.154 1.00 23.95 O HETATM 1169 O HOH 16 -5.272 8.768 9.141 1.00 24.33 O HETATM 1170 O HOH 17 -2.255 6.011 -8.758 1.00 21.25 O HETATM 1171 O HOH 18 -8.067 -21.801 15.513 1.00 27.58 O HETATM 1172 O HOH 19 6.113 -13.980 12.730 1.00 32.48 O HETATM 1173 O HOH 20 4.495 -16.483 2.432 1.00 27.00 O HETATM 1174 O HOH 21 -9.600 -10.200 -4.411 1.00 25.76 O HETATM 1175 O HOH 22 4.838 -5.675 -12.627 1.00 26.69 O HETATM 1176 O HOH 23 1.027 17.422 5.527 1.00 30.74 O HETATM 1177 O HOH 24 1.873 6.365 15.547 1.00 31.23 O HETATM 1178 O HOH 25 -4.320 -6.532 -6.808 1.00 24.29 O HETATM 1179 O HOH 26 -8.195 9.719 -5.630 1.00 26.06 O HETATM 1180 O HOH 27 -12.810 -7.544 1.124 1.00 26.52 O HETATM 1181 O HOH 28 -9.344 -0.384 19.211 1.00 31.90 O HETATM 1182 O HOH 29 -6.905 -19.265 13.836 1.00 31.35 O HETATM 1183 O HOH 30 -3.857 11.411 14.310 1.00 25.09 O HETATM 1184 O HOH 31 -9.586 -15.837 21.070 1.00 35.74 O HETATM 1185 O HOH 32 -13.977 -9.654 14.639 1.00 30.23 O HETATM 1186 O HOH 33 -5.957 -11.780 -6.807 1.00 24.07 O HETATM 1187 O HOH 34 -15.921 2.949 14.617 1.00 31.19 O HETATM 1188 O HOH 35 2.489 10.358 19.365 1.00 27.82 O HETATM 1189 O HOH 36 -16.764 -11.372 3.156 1.00 37.24 O HETATM 1190 O HOH 37 -14.863 -5.469 16.020 1.00 30.41 O HETATM 1191 O HOH 38 3.910 0.836 -10.768 1.00 29.44 O HETATM 1192 O HOH 39 -2.052 -4.737 -13.757 1.00 35.78 O HETATM 1193 O HOH 40 -9.550 -3.789 -4.007 1.00 33.42 O HETATM 1194 O HOH 41 2.191 -4.078 20.597 1.00 35.08 O HETATM 1195 O HOH 42 -4.006 8.283 -10.527 1.00 35.25 O HETATM 1196 O HOH 43 -0.615 -14.098 -3.309 1.00 34.53 O HETATM 1197 O HOH 44 -8.452 1.683 -0.016 1.00 27.29 O HETATM 1198 O HOH 45 4.350 2.325 -13.025 1.00 35.56 O HETATM 1199 O HOH 46 -14.865 -3.187 6.010 1.00 29.47 O HETATM 1200 O HOH 47 0.406 8.750 19.513 1.00 33.68 O HETATM 1201 O HOH 48 -16.882 -11.408 8.126 1.00 34.65 O HETATM 1202 O HOH 49 -3.889 -13.651 -5.528 1.00 34.94 O HETATM 1203 O HOH 50 -2.784 8.326 15.612 1.00 47.23 O HETATM 1204 O HOH 51 -14.541 -0.983 7.759 1.00 29.89 O HETATM 1205 O HOH 52 -15.196 -7.029 2.530 1.00 32.01 O HETATM 1206 O HOH 53 4.310 -15.635 9.827 1.00 28.52 O HETATM 1207 O HOH 54 -4.428 -17.641 -6.002 1.00 39.33 O HETATM 1208 O HOH 55 -3.892 12.825 -5.144 1.00 39.87 O HETATM 1209 O HOH 56 -15.823 5.982 10.824 1.00 53.02 O HETATM 1210 O HOH 57 -2.252 -8.937 -13.519 1.00 36.60 O HETATM 1211 O HOH 58 1.991 -18.870 4.348 1.00 44.21 O HETATM 1212 O HOH 59 9.084 9.018 5.123 1.00 34.36 O HETATM 1213 O HOH 60 -2.699 -19.825 -2.894 1.00 38.47 O HETATM 1214 O HOH 61 -10.705 1.932 0.627 1.00 49.27 O HETATM 1215 O HOH 62 6.092 -4.938 21.010 1.00 51.98 O HETATM 1216 O HOH 63 -10.695 -0.635 -5.748 1.00 34.69 O HETATM 1217 O HOH 64 5.963 -1.102 -10.409 1.00 37.84 O HETATM 1218 O HOH 65 -15.255 4.999 8.678 1.00 49.75 O HETATM 1219 O HOH 66 -14.134 -7.828 -1.372 1.00 45.67 O HETATM 1220 O HOH 67 -7.863 -14.216 -9.092 1.00 39.66 O HETATM 1221 O HOH 68 -1.466 6.522 -11.219 1.00 40.38 O HETATM 1222 O HOH 69 -7.106 -21.550 12.126 1.00 42.51 O HETATM 1223 O HOH 70 -17.469 -8.681 3.307 1.00 47.09 O HETATM 1224 O HOH 71 -9.677 9.841 3.835 1.00 47.34 O HETATM 1225 O HOH 72 6.341 -16.648 6.780 1.00 49.11 O HETATM 1226 O HOH 73 -12.271 -19.327 0.912 1.00 30.48 O HETATM 1227 O HOH 74 -2.801 -21.220 1.598 1.00 42.23 O HETATM 1228 O HOH 75 -1.619 -15.007 -5.944 1.00 47.53 O HETATM 1229 O HOH 76 -2.385 18.071 6.103 1.00 24.60 O HETATM 1230 O HOH 77 -12.491 1.268 18.205 1.00 36.77 O HETATM 1231 O HOH 78 4.093 -13.430 -14.580 1.00 29.80 O HETATM 1232 O HOH 79 -11.032 10.210 -5.887 1.00 40.11 O HETATM 1233 O HOH 80 -15.662 -1.877 9.407 1.00 44.34 O HETATM 1234 O HOH 81 -13.536 5.842 9.906 1.00 41.67 O HETATM 1235 O HOH 82 -4.493 -19.389 -4.114 1.00 33.09 O HETATM 1236 O HOH 83 -8.911 -22.399 -0.052 1.00 31.62 O HETATM 1237 O HOH 84 11.921 4.309 -0.172 1.00 44.42 O HETATM 1238 O HOH 85 3.073 -6.291 21.511 1.00 38.94 O HETATM 1239 O HOH 86 -8.808 10.783 6.009 1.00 47.98 O HETATM 1240 O HOH 87 -7.533 -22.060 2.421 1.00 48.39 O HETATM 1241 O HOH 88 -12.756 -4.444 -1.532 1.00 47.05 O HETATM 1242 O HOH 89 -8.177 -2.391 19.653 1.00 34.82 O HETATM 1243 O HOH 90 10.444 0.987 10.468 1.00 35.78 O HETATM 1244 O HOH 91 2.694 9.172 -4.546 1.00 41.15 O HETATM 1245 O HOH 92 4.065 11.972 -1.047 1.00 48.09 O HETATM 1246 O HOH 93 -11.645 3.773 17.267 1.00 45.44 O HETATM 1247 O HOH 94 3.795 -16.178 -0.017 1.00 39.38 O HETATM 1248 O HOH 95 8.284 0.019 18.397 1.00 36.25 O HETATM 1249 O HOH 96 -5.731 -11.845 20.893 1.00 46.62 O HETATM 1250 O HOH 97 -13.805 2.726 6.816 1.00 47.73 O HETATM 1251 O HOH 98 -12.682 0.017 -4.374 1.00 50.54 O HETATM 1252 O HOH 99 -15.779 2.057 16.920 1.00 41.77 O HETATM 1253 O HOH 100 -1.288 -13.578 -8.994 1.00 46.46 O HETATM 1254 O HOH 101 0.959 -12.962 -10.788 1.00 37.38 O HETATM 1255 O HOH 102 -6.657 15.329 12.290 1.00 41.60 O HETATM 1256 O HOH 103 -12.716 2.481 -5.217 1.00 42.40 O HETATM 1257 O HOH 104 -8.407 6.239 8.789 1.00 36.66 O HETATM 1258 O HOH 105 -9.642 4.471 8.699 1.00 45.88 O HETATM 1259 O HOH 106 6.846 -4.393 10.842 1.00 30.77 O HETATM 1260 O HOH 107 8.597 -4.245 12.000 1.00 38.28 O HETATM 1261 O HOH 108 3.949 8.295 -6.909 1.00 42.20 O HETATM 1262 O HOH 109 7.518 -0.546 -8.552 1.00 45.04 O HETATM 1263 O HOH 110 9.368 -2.558 -7.937 1.00 38.87 O HETATM 1264 O HOH 111 3.955 -12.429 -10.364 1.00 25.93 O HETATM 1265 O HOH 112 -10.006 -11.405 -8.664 1.00 17.86 O HETATM 1266 O HOH 113 -13.993 -7.387 -9.920 1.00 45.80 O HETATM 1267 O HOH 114 -11.983 -12.429 -7.928 1.00 31.50 O HETATM 1268 O HOH 115 -8.482 7.117 -4.721 1.00 30.09 O HETATM 1269 O HOH 116 -8.096 7.932 -1.641 1.00 33.81 O HETATM 1270 O HOH 117 -15.557 2.694 -5.921 1.00 24.05 O HETATM 1271 O HOH 118 10.960 -9.684 9.485 1.00 35.18 O HETATM 1272 O HOH 119 0.710 8.801 -11.608 1.00 48.34 O HETATM 1273 O HOH 120 0.723 -19.101 0.344 1.00 46.91 O HETATM 1274 C10 UNN A 121 4.920 8.367 0.620 1.00 -0.05 C HETATM 1275 C09 UNN A 121 5.904 8.164 1.560 1.00 0.02 C HETATM 1276 C07 UNN A 121 6.964 7.183 1.267 1.00 0.13 C HETATM 1277 C06 UNN A 121 8.118 6.870 2.030 1.00 -0.05 C HETATM 1278 C05 UNN A 121 8.779 5.827 1.266 1.00 -0.04 C HETATM 1279 C03 UNN A 121 7.952 5.631 0.146 1.00 0.15 C HETATM 1280 C02 UNN A 121 8.147 4.665 -0.989 1.00 0.09 C HETATM 1281 O01 UNN A 121 9.149 3.927 -1.027 1.00 -0.56 O HETATM 1282 O04 UNN A 121 7.247 4.648 -1.873 1.00 -0.56 O HETATM 1283 O08 UNN A 121 6.901 6.429 0.201 1.00 -0.25 O HETATM 1284 H UNN A 121 9.708 5.312 1.507 1.00 0.04 H HETATM 1285 H UNN A 121 8.436 7.311 2.974 1.00 0.04 H HETATM 1286 C14 UNN A 121 5.901 8.828 2.785 1.00 -0.05 C HETATM 1287 C13 UNN A 121 4.903 9.734 3.051 1.00 -0.05 C HETATM 1288 C12 UNN A 121 3.913 9.954 2.098 1.00 0.02 C HETATM 1289 C15 UNN A 121 2.799 10.951 2.406 1.00 0.08 C HETATM 1290 N16 UNN A 121 2.470 11.842 1.339 1.00 -0.29 N HETATM 1291 C18 UNN A 121 1.283 12.686 1.637 1.00 0.07 C HETATM 1292 C19 UNN A 121 0.021 12.238 1.032 1.00 -0.02 C HETATM 1293 C20 UNN A 121 -1.132 12.284 1.814 1.00 -0.06 C HETATM 1294 C21 UNN A 121 -2.360 11.878 1.280 1.00 -0.06 C HETATM 1295 C22 UNN A 121 -2.411 11.400 -0.037 1.00 0.01 C HETATM 1296 C23 UNN A 121 -1.253 11.355 -0.839 1.00 -0.06 C HETATM 1297 C24 UNN A 121 -0.025 11.764 -0.304 1.00 -0.06 C HETATM 1298 H UNN A 121 0.878 11.719 -0.903 1.00 0.06 H HETATM 1299 H UNN A 121 -1.312 11.006 -1.864 1.00 0.06 H HETATM 1300 C25 UNN A 121 -3.740 10.978 -0.633 1.00 0.11 C HETATM 1301 C26 UNN A 121 -4.094 11.182 -1.970 1.00 -0.03 C HETATM 1302 C27 UNN A 121 -5.406 10.660 -2.062 1.00 0.07 C HETATM 1303 N28 UNN A 121 -5.752 10.230 -0.886 1.00 -0.19 N HETATM 1304 N29 UNN A 121 -4.779 10.428 -0.032 1.00 -0.15 N HETATM 1305 C30 UNN A 121 -4.868 10.052 1.318 1.00 0.11 C HETATM 1306 C31 UNN A 121 -4.196 8.912 1.733 1.00 -0.01 C HETATM 1307 C32 UNN A 121 -4.281 8.520 3.055 1.00 0.05 C HETATM 1308 C33 UNN A 121 -5.038 9.256 3.965 1.00 0.05 C HETATM 1309 C34 UNN A 121 -5.714 10.405 3.538 1.00 -0.05 C HETATM 1310 C35 UNN A 121 -5.633 10.803 2.215 1.00 -0.02 C HETATM 1311 H UNN A 121 -6.158 11.689 1.877 1.00 0.06 H HETATM 1312 H UNN A 121 -6.301 10.983 4.243 1.00 0.06 H HETATM 1313 CL6 UNN A 121 -5.135 8.759 5.608 1.00 -0.08 CL HETATM 1314 CL7 UNN A 121 -3.445 7.084 3.563 1.00 -0.07 CL HETATM 1315 H UNN A 121 -3.610 8.334 1.027 1.00 0.06 H HETATM 1316 C38 UNN A 121 -6.295 10.589 -3.306 1.00 0.07 C HETATM 1317 O39 UNN A 121 -5.866 11.028 -4.434 1.00 -0.56 O HETATM 1318 O40 UNN A 121 -7.446 10.065 -3.168 1.00 -0.56 O HETATM 1319 H UNN A 121 -3.497 11.638 -2.759 1.00 0.04 H HETATM 1320 H UNN A 121 -3.262 11.932 1.878 1.00 0.06 H HETATM 1321 H UNN A 121 -1.077 12.635 2.838 1.00 0.06 H HETATM 1322 H UNN A 121 1.491 13.703 1.274 1.00 0.07 H HETATM 1323 H UNN A 121 1.147 12.707 2.728 1.00 0.07 H HETATM 1324 H UNN A 121 2.984 11.893 0.482 1.00 0.20 H HETATM 1325 S17 UNN A 121 1.889 10.752 3.785 1.00 -0.26 S HETATM 1326 C11 UNN A 121 3.900 9.288 0.894 1.00 -0.05 C HETATM 1327 H UNN A 121 3.115 9.473 0.170 1.00 0.07 H HETATM 1328 H UNN A 121 4.887 10.271 3.992 1.00 0.07 H HETATM 1329 H UNN A 121 6.675 8.632 3.518 1.00 0.06 H HETATM 1330 H UNN A 121 4.934 7.823 -0.318 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1274 1275 1326 1330 CONECT 1275 1274 1276 1286 CONECT 1276 1275 1277 1283 CONECT 1277 1276 1278 1285 CONECT 1278 1277 1279 1284 CONECT 1279 1278 1280 1283 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1276 1279 CONECT 1284 1278 CONECT 1285 1277 CONECT 1286 1275 1287 1329 CONECT 1287 1286 1288 1328 CONECT 1288 1287 1289 1326 CONECT 1289 1288 1290 1325 CONECT 1290 1289 1291 1324 CONECT 1291 1290 1292 1322 1323 CONECT 1292 1291 1293 1297 CONECT 1293 1292 1294 1321 CONECT 1294 1293 1295 1320 CONECT 1295 1294 1296 1300 CONECT 1296 1295 1297 1299 CONECT 1297 1292 1296 1298 CONECT 1298 1297 CONECT 1299 1296 CONECT 1300 1295 1301 1304 CONECT 1301 1300 1302 1319 CONECT 1302 1301 1303 1316 CONECT 1303 1302 1304 CONECT 1304 1300 1303 1305 CONECT 1305 1304 1306 1310 CONECT 1306 1305 1307 1315 CONECT 1307 1306 1308 1314 CONECT 1308 1307 1309 1313 CONECT 1309 1308 1310 1312 CONECT 1310 1305 1309 1311 CONECT 1311 1310 CONECT 1312 1309 CONECT 1313 1308 CONECT 1314 1307 CONECT 1315 1306 CONECT 1316 1302 1317 1318 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1301 CONECT 1320 1294 CONECT 1321 1293 CONECT 1322 1291 CONECT 1323 1291 CONECT 1324 1290 CONECT 1325 1289 CONECT 1326 1274 1288 1327 CONECT 1327 1326 CONECT 1328 1287 CONECT 1329 1286 CONECT 1330 1274 MASTER 0 0 0 0 0 0 0 0 1329 1 61 10 END
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Related entries of code: 4r4t
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Protein Sequence Similarity
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PDBbind
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4r4i
RCSB PDB
PDBbind
123aa, >4R4I_1|Chain... at 100%
4r4o
RCSB PDB
PDBbind
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4r4q
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4r4t
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Replication protein A 70 kDa DNA-binding subunit RPA70N
Ligand Name
3J0
EC.Number
E.C.-.-.-.-
Resolution
1.28(Å)
Affinity (Kd/Ki/IC50)
Kd=0.55uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) ACS Med.Chem.Lett.Vol.6: pp.140-145
Ligand Properties
Formula
C
2
9
H
1
9
Cl
2
N
3
O
5
S
Molecular Weight
592.449
Exact Mass
591.042
No. of atoms
59
No. of bonds
63
Polar Surface Area
149.68
LOGP Value
8.20 (
Computed with XLOGP3
)
7.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
S=C(c1ccc(cc1)c1ccc(o1)C(=O)O)NCc1ccc(cc1)c1cc(nn1c1ccc(c(c1)Cl)Cl)C(=O)O
InChI String
InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-3-1-16(2-4-17)15-32-27(40)19-7-5-18(6-8-19)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P27694
Entrez Gene ID
NCBI Entrez Gene ID:
6117
ASD
Information of known allosteric effects of PDB entries
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