Browse entries in the PDBbind-CN Database
HEADER 5UCJ_COMPLEX COMPND 5UCJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 218 HIS MET PRO GLU GLU VAL HIS HIS GLY GLU GLU GLU VAL SEQRES 2 A 218 GLU THR PHE ALA PHE GLN ALA GLU ILE ALA GLN LEU MET SEQRES 3 A 218 SER LEU ILE ILE ASN THR PHE TYR SER ASN LYS GLU ILE SEQRES 4 A 218 PHE LEU ARG GLU LEU ILE SER ASN ALA SER ASP ALA LEU SEQRES 5 A 218 ASP LYS ILE ARG TYR GLU SER LEU THR ASP PRO SER LYS SEQRES 6 A 218 LEU ASP SER GLY LYS GLU LEU LYS ILE ASP ILE ILE PRO SEQRES 7 A 218 ASN PRO GLN GLU ARG THR LEU THR LEU VAL ASP THR GLY SEQRES 8 A 218 ILE GLY MET THR LYS ALA ASP LEU ILE ASN ASN LEU GLY SEQRES 9 A 218 THR ILE ALA LYS SER GLY THR LYS ALA PHE MET GLU ALA SEQRES 10 A 218 LEU GLN ALA GLY ALA ASP ILE SER MET ILE GLY GLN PHE SEQRES 11 A 218 GLY VAL GLY PHE TYR SER ALA TYR LEU VAL ALA GLU LYS SEQRES 12 A 218 VAL VAL VAL ILE THR LYS HIS ASN ASP ASP GLU GLN TYR SEQRES 13 A 218 ALA TRP GLU SER SER ALA GLY GLY SER PHE THR VAL ARG SEQRES 14 A 218 ALA ASP HIS GLY GLU PRO ILE GLY ARG GLY THR LYS VAL SEQRES 15 A 218 ILE LEU HIS LEU LYS GLU ASP GLN THR GLU TYR LEU GLU SEQRES 16 A 218 GLU ARG ARG VAL LYS GLU VAL VAL LYS LYS HIS SER GLN SEQRES 17 A 218 PHE ILE GLY TYR PRO ILE THR LEU TYR LEU HET KU A 3 40 ATOM 1 N HIS A 0 -21.665 130.224 -38.158 1.00 84.80 N ATOM 2 CA HIS A 0 -22.380 130.146 -36.890 1.00 79.42 C ATOM 3 C HIS A 0 -21.736 129.127 -35.956 1.00 77.20 C ATOM 4 O HIS A 0 -22.131 127.961 -35.926 1.00 66.54 O ATOM 5 CB HIS A 0 -23.849 129.789 -37.123 1.00 84.51 C ATOM 6 CG HIS A 0 -24.049 128.613 -38.027 1.00 76.13 C ATOM 7 ND1 HIS A 0 -23.918 128.695 -39.397 1.00 72.84 N ATOM 8 CD2 HIS A 0 -24.370 127.325 -37.757 1.00 73.94 C ATOM 9 CE1 HIS A 0 -24.150 127.510 -39.931 1.00 71.31 C ATOM 10 NE2 HIS A 0 -24.427 126.661 -38.958 1.00 71.93 N ATOM 11 HN3 HIS A 0 -21.680 129.293 -38.621 1.00 0.00 H ATOM 12 HN2 HIS A 0 -20.680 130.510 -37.982 1.00 0.00 H ATOM 13 HN1 HIS A 0 -22.126 130.925 -38.772 1.00 0.00 H ATOM 14 N MET A 1 -20.742 129.574 -35.195 1.00 83.24 N ATOM 15 CA MET A 1 -20.042 128.703 -34.260 1.00 70.98 C ATOM 16 C MET A 1 -20.118 129.209 -32.818 1.00 75.31 C ATOM 17 O MET A 1 -19.089 129.530 -32.222 1.00 75.72 O ATOM 18 CB MET A 1 -18.580 128.532 -34.682 1.00 75.60 C ATOM 19 CG MET A 1 -18.358 128.586 -36.185 1.00 88.39 C ATOM 20 SD MET A 1 -19.457 127.480 -37.091 1.00 92.21 S ATOM 21 CE MET A 1 -19.308 128.139 -38.750 1.00 89.33 C ATOM 22 H MET A 1 -20.457 130.571 -35.269 1.00 0.00 H ATOM 23 N PRO A 2 -21.322 129.281 -32.250 1.00 76.09 N ATOM 24 CA PRO A 2 -21.439 129.752 -30.859 1.00 67.86 C ATOM 25 C PRO A 2 -20.561 129.049 -29.842 1.00 66.60 C ATOM 26 O PRO A 2 -20.101 127.964 -30.041 1.00 75.93 O ATOM 27 CB PRO A 2 -22.860 129.411 -30.493 1.00 64.83 C ATOM 28 CG PRO A 2 -23.611 129.427 -31.728 1.00 71.47 C ATOM 29 CD PRO A 2 -22.704 128.815 -32.703 1.00 74.84 C ATOM 30 N GLU A 3 -20.340 129.673 -28.721 1.00 55.13 N ATOM 31 CA GLU A 3 -19.525 129.067 -27.672 1.00 55.34 C ATOM 32 C GLU A 3 -20.248 129.178 -26.338 1.00 64.70 C ATOM 33 O GLU A 3 -20.525 130.287 -25.868 1.00 64.60 O ATOM 34 CB GLU A 3 -18.139 129.714 -27.568 1.00 53.25 C ATOM 35 CG GLU A 3 -17.460 129.403 -26.241 1.00 58.39 C ATOM 36 CD GLU A 3 -15.947 129.568 -26.264 1.00 53.01 C ATOM 37 OE1 GLU A 3 -15.262 128.712 -25.671 1.00 50.15 O ATOM 38 OE2 GLU A 3 -15.463 130.546 -26.866 1.00 53.07 O ATOM 39 H GLU A 3 -20.750 130.617 -28.570 1.00 0.00 H ATOM 40 N GLU A 4 -20.537 128.041 -25.716 1.00 53.65 N ATOM 41 CA GLU A 4 -21.094 128.066 -24.367 1.00 56.60 C ATOM 42 C GLU A 4 -19.938 128.255 -23.397 1.00 60.21 C ATOM 43 O GLU A 4 -19.185 127.321 -23.115 1.00 69.37 O ATOM 44 CB GLU A 4 -21.896 126.809 -24.053 1.00 55.50 C ATOM 45 CG GLU A 4 -22.633 126.936 -22.711 1.00 63.30 C ATOM 46 CD GLU A 4 -23.616 125.803 -22.430 1.00 70.01 C ATOM 47 OE1 GLU A 4 -23.345 124.969 -21.543 1.00 74.68 O ATOM 48 OE2 GLU A 4 -24.668 125.739 -23.101 1.00 82.55 O ATOM 49 H GLU A 4 -20.366 127.131 -26.191 1.00 0.00 H ATOM 50 N VAL A 5 -19.785 129.489 -22.911 1.00 60.64 N ATOM 51 CA VAL A 5 -18.678 129.850 -22.033 1.00 61.56 C ATOM 52 C VAL A 5 -18.973 129.527 -20.578 1.00 61.23 C ATOM 53 O VAL A 5 -18.042 129.430 -19.769 1.00 63.58 O ATOM 54 CB VAL A 5 -18.341 131.348 -22.164 1.00 59.31 C ATOM 55 CG1 VAL A 5 -17.965 131.689 -23.599 1.00 63.78 C ATOM 56 CG2 VAL A 5 -19.515 132.218 -21.717 1.00 66.51 C ATOM 57 H VAL A 5 -20.480 130.219 -23.168 1.00 0.00 H ATOM 58 N HIS A 6 -20.242 129.346 -20.226 1.00 64.99 N ATOM 59 CA HIS A 6 -20.648 129.083 -18.850 1.00 60.79 C ATOM 60 C HIS A 6 -21.753 128.039 -18.874 1.00 48.88 C ATOM 61 O HIS A 6 -22.819 128.277 -19.445 1.00 53.54 O ATOM 62 CB HIS A 6 -21.122 130.377 -18.170 1.00 61.15 C ATOM 63 CG HIS A 6 -21.533 130.206 -16.739 1.00 59.39 C ATOM 64 ND1 HIS A 6 -20.689 129.702 -15.772 1.00 64.29 N ATOM 65 CD2 HIS A 6 -22.702 130.481 -16.112 1.00 57.63 C ATOM 66 CE1 HIS A 6 -21.320 129.675 -14.611 1.00 63.14 C ATOM 67 NE2 HIS A 6 -22.541 130.146 -14.789 1.00 56.82 N ATOM 68 H HIS A 6 -20.975 129.394 -20.962 1.00 0.00 H ATOM 69 N HIS A 7 -21.503 126.880 -18.267 1.00 58.34 N ATOM 70 CA HIS A 7 -22.518 125.838 -18.226 1.00 63.84 C ATOM 71 C HIS A 7 -23.483 126.001 -17.064 1.00 64.58 C ATOM 72 O HIS A 7 -24.608 125.488 -17.129 1.00 70.62 O ATOM 73 CB HIS A 7 -21.845 124.466 -18.171 1.00 73.99 C ATOM 74 CG HIS A 7 -20.807 124.271 -19.240 1.00 85.98 C ATOM 75 ND1 HIS A 7 -19.459 124.482 -19.021 1.00 88.74 N ATOM 76 CD2 HIS A 7 -20.925 123.924 -20.546 1.00 88.44 C ATOM 77 CE1 HIS A 7 -18.794 124.262 -20.142 1.00 89.79 C ATOM 78 NE2 HIS A 7 -19.660 123.926 -21.083 1.00 89.76 N ATOM 79 H HIS A 7 -20.578 126.719 -17.820 1.00 0.00 H ATOM 80 N GLY A 8 -23.083 126.722 -16.025 1.00 59.52 N ATOM 81 CA GLY A 8 -23.942 126.911 -14.880 1.00 69.83 C ATOM 82 C GLY A 8 -23.469 126.076 -13.715 1.00 76.60 C ATOM 83 O GLY A 8 -22.580 126.491 -12.965 1.00 90.90 O ATOM 84 H GLY A 8 -22.138 127.157 -16.035 1.00 0.00 H ATOM 85 N GLU A 9 -24.034 124.886 -13.563 1.00 69.00 N ATOM 86 CA GLU A 9 -23.585 124.002 -12.502 1.00 56.31 C ATOM 87 C GLU A 9 -22.287 123.319 -12.897 1.00 54.14 C ATOM 88 O GLU A 9 -22.050 123.015 -14.071 1.00 60.90 O ATOM 89 CB GLU A 9 -24.644 122.950 -12.177 1.00 53.29 C ATOM 90 CG GLU A 9 -26.008 123.512 -11.771 1.00 52.55 C ATOM 91 CD GLU A 9 -25.968 124.540 -10.636 1.00 50.52 C ATOM 92 OE1 GLU A 9 -24.925 124.681 -9.970 1.00 47.97 O ATOM 93 OE2 GLU A 9 -27.005 125.197 -10.420 1.00 51.89 O ATOM 94 H GLU A 9 -24.797 124.586 -14.203 1.00 0.00 H ATOM 95 N GLU A 10 -21.434 123.092 -11.900 1.00 53.04 N ATOM 96 CA GLU A 10 -20.245 122.276 -12.099 1.00 45.73 C ATOM 97 C GLU A 10 -20.660 120.809 -12.183 1.00 53.86 C ATOM 98 O GLU A 10 -21.229 120.264 -11.232 1.00 54.97 O ATOM 99 CB GLU A 10 -19.245 122.503 -10.961 1.00 47.86 C ATOM 100 CG GLU A 10 -17.905 121.799 -11.186 1.00 44.77 C ATOM 101 CD GLU A 10 -16.874 122.040 -10.081 1.00 56.69 C ATOM 102 OE1 GLU A 10 -15.724 121.566 -10.244 1.00 50.87 O ATOM 103 OE2 GLU A 10 -17.206 122.680 -9.056 1.00 54.29 O ATOM 104 H GLU A 10 -21.620 123.505 -10.964 1.00 0.00 H ATOM 105 N GLU A 11 -20.373 120.170 -13.322 1.00 53.57 N ATOM 106 CA GLU A 11 -20.892 118.829 -13.583 1.00 57.35 C ATOM 107 C GLU A 11 -20.231 117.785 -12.690 1.00 45.96 C ATOM 108 O GLU A 11 -20.908 116.923 -12.118 1.00 45.34 O ATOM 109 CB GLU A 11 -20.683 118.472 -15.053 1.00 61.39 C ATOM 110 CG GLU A 11 -21.745 117.547 -15.621 1.00 76.38 C ATOM 111 CD GLU A 11 -23.097 118.224 -15.773 1.00 84.81 C ATOM 112 OE1 GLU A 11 -24.087 117.507 -16.028 1.00 88.00 O ATOM 113 OE2 GLU A 11 -23.147 119.463 -15.643 1.00 89.19 O ATOM 114 H GLU A 11 -19.772 120.634 -14.032 1.00 0.00 H ATOM 115 N VAL A 12 -18.904 117.823 -12.602 1.00 38.68 N ATOM 116 CA VAL A 12 -18.104 116.881 -11.832 1.00 38.19 C ATOM 117 C VAL A 12 -17.399 117.661 -10.733 1.00 38.39 C ATOM 118 O VAL A 12 -16.685 118.628 -11.018 1.00 40.31 O ATOM 119 CB VAL A 12 -17.073 116.154 -12.719 1.00 41.77 C ATOM 120 CG1 VAL A 12 -16.244 115.177 -11.902 1.00 44.72 C ATOM 121 CG2 VAL A 12 -17.775 115.444 -13.877 1.00 49.87 C ATOM 122 H VAL A 12 -18.405 118.576 -13.118 1.00 0.00 H ATOM 123 N GLU A 13 -17.579 117.236 -9.482 1.00 32.22 N ATOM 124 CA GLU A 13 -16.969 117.915 -8.346 1.00 33.98 C ATOM 125 C GLU A 13 -15.934 116.996 -7.708 1.00 31.61 C ATOM 126 O GLU A 13 -16.207 115.817 -7.489 1.00 32.40 O ATOM 127 CB GLU A 13 -18.032 118.321 -7.319 1.00 38.75 C ATOM 128 CG GLU A 13 -19.111 119.239 -7.879 1.00 40.14 C ATOM 129 CD GLU A 13 -20.189 119.574 -6.854 1.00 54.26 C ATOM 130 OE1 GLU A 13 -20.153 120.685 -6.285 1.00 55.11 O ATOM 131 OE2 GLU A 13 -21.068 118.718 -6.610 1.00 55.94 O ATOM 132 H GLU A 13 -18.171 116.398 -9.312 1.00 0.00 H ATOM 133 N THR A 14 -14.756 117.543 -7.401 1.00 31.63 N ATOM 134 CA THR A 14 -13.654 116.798 -6.799 1.00 27.42 C ATOM 135 C THR A 14 -13.442 117.324 -5.386 1.00 27.12 C ATOM 136 O THR A 14 -13.396 118.540 -5.187 1.00 30.49 O ATOM 137 CB THR A 14 -12.361 116.960 -7.608 1.00 37.50 C ATOM 138 OG1 THR A 14 -12.567 116.498 -8.945 1.00 39.75 O ATOM 139 CG2 THR A 14 -11.239 116.154 -6.986 1.00 39.16 C ATOM 140 HG1 THR A 14 -13.288 117.028 -9.369 1.00 0.00 H ATOM 141 H THR A 14 -14.615 118.554 -7.601 1.00 0.00 H ATOM 142 N PHE A 15 -13.311 116.409 -4.419 1.00 29.39 N ATOM 143 CA PHE A 15 -13.077 116.768 -3.024 1.00 29.85 C ATOM 144 C PHE A 15 -11.998 115.880 -2.429 1.00 26.56 C ATOM 145 O PHE A 15 -11.817 114.731 -2.837 1.00 27.93 O ATOM 146 CB PHE A 15 -14.344 116.629 -2.181 1.00 26.14 C ATOM 147 CG PHE A 15 -15.476 117.478 -2.665 1.00 28.84 C ATOM 148 CD1 PHE A 15 -15.421 118.859 -2.540 1.00 28.27 C ATOM 149 CD2 PHE A 15 -16.587 116.900 -3.280 1.00 32.60 C ATOM 150 CE1 PHE A 15 -16.468 119.651 -2.995 1.00 34.54 C ATOM 151 CE2 PHE A 15 -17.639 117.699 -3.734 1.00 33.29 C ATOM 152 CZ PHE A 15 -17.575 119.071 -3.591 1.00 37.26 C ATOM 153 H PHE A 15 -13.379 115.402 -4.671 1.00 0.00 H ATOM 154 N ALA A 16 -11.297 116.410 -1.433 1.00 26.04 N ATOM 155 CA ALA A 16 -10.341 115.600 -0.684 1.00 25.63 C ATOM 156 C ALA A 16 -11.047 114.872 0.454 1.00 26.87 C ATOM 157 O ALA A 16 -11.948 115.422 1.089 1.00 26.17 O ATOM 158 CB ALA A 16 -9.231 116.488 -0.112 1.00 27.27 C ATOM 159 H ALA A 16 -11.430 117.411 -1.185 1.00 0.00 H ATOM 160 N PHE A 17 -10.623 113.632 0.717 1.00 24.98 N ATOM 161 CA PHE A 17 -11.013 112.974 1.954 1.00 26.20 C ATOM 162 C PHE A 17 -10.445 113.705 3.170 1.00 22.78 C ATOM 163 O PHE A 17 -9.387 114.339 3.103 1.00 27.74 O ATOM 164 CB PHE A 17 -10.482 111.544 1.977 1.00 25.16 C ATOM 165 CG PHE A 17 -11.104 110.629 0.950 1.00 23.57 C ATOM 166 CD1 PHE A 17 -12.332 110.041 1.192 1.00 25.55 C ATOM 167 CD2 PHE A 17 -10.432 110.333 -0.230 1.00 23.93 C ATOM 168 CE1 PHE A 17 -12.921 109.196 0.260 1.00 26.38 C ATOM 169 CE2 PHE A 17 -11.007 109.480 -1.162 1.00 26.63 C ATOM 170 CZ PHE A 17 -12.245 108.912 -0.919 1.00 26.13 C ATOM 171 H PHE A 17 -10.013 113.137 0.036 1.00 0.00 H ATOM 172 N GLN A 18 -11.120 113.549 4.316 1.00 22.80 N ATOM 173 CA GLN A 18 -10.456 113.828 5.581 1.00 24.55 C ATOM 174 C GLN A 18 -9.166 113.012 5.632 1.00 24.68 C ATOM 175 O GLN A 18 -9.123 111.884 5.138 1.00 26.09 O ATOM 176 CB GLN A 18 -11.370 113.456 6.754 1.00 26.83 C ATOM 177 CG GLN A 18 -12.650 114.272 6.813 1.00 26.63 C ATOM 178 CD GLN A 18 -12.370 115.720 7.164 1.00 29.88 C ATOM 179 OE1 GLN A 18 -11.797 116.008 8.216 1.00 28.90 O ATOM 180 NE2 GLN A 18 -12.794 116.639 6.306 1.00 30.70 N ATOM 181 HE22 GLN A 18 -13.273 116.350 5.429 1.00 0.00 H ATOM 182 HE21 GLN A 18 -12.647 117.648 6.510 1.00 0.00 H ATOM 183 H GLN A 18 -12.110 113.231 4.302 1.00 0.00 H ATOM 184 N ALA A 19 -8.114 113.593 6.224 1.00 26.72 N ATOM 185 CA ALA A 19 -6.803 112.934 6.227 1.00 26.44 C ATOM 186 C ALA A 19 -6.886 111.536 6.821 1.00 25.56 C ATOM 187 O ALA A 19 -6.226 110.603 6.340 1.00 26.52 O ATOM 188 CB ALA A 19 -5.795 113.775 7.012 1.00 30.84 C ATOM 189 H ALA A 19 -8.227 114.518 6.685 1.00 0.00 H ATOM 190 N GLU A 20 -7.680 111.378 7.875 1.00 24.06 N ATOM 191 CA GLU A 20 -7.797 110.078 8.530 1.00 24.88 C ATOM 192 C GLU A 20 -8.295 109.021 7.560 1.00 27.68 C ATOM 193 O GLU A 20 -7.826 107.871 7.578 1.00 26.43 O ATOM 194 CB GLU A 20 -8.756 110.192 9.713 1.00 27.90 C ATOM 195 CG GLU A 20 -8.255 111.064 10.905 1.00 28.86 C ATOM 196 CD GLU A 20 -8.404 112.583 10.722 1.00 34.78 C ATOM 197 OE1 GLU A 20 -8.105 113.305 11.704 1.00 34.84 O ATOM 198 OE2 GLU A 20 -8.804 113.064 9.629 1.00 29.88 O ATOM 199 H GLU A 20 -8.223 112.188 8.237 1.00 0.00 H ATOM 200 N ILE A 21 -9.288 109.380 6.741 1.00 24.17 N ATOM 201 CA ILE A 21 -9.831 108.446 5.754 1.00 23.79 C ATOM 202 C ILE A 21 -8.797 108.166 4.668 1.00 27.12 C ATOM 203 O ILE A 21 -8.571 107.013 4.278 1.00 26.17 O ATOM 204 CB ILE A 21 -11.136 109.007 5.153 1.00 24.09 C ATOM 205 CG1 ILE A 21 -12.184 109.269 6.240 1.00 27.15 C ATOM 206 CG2 ILE A 21 -11.695 108.060 4.074 1.00 25.48 C ATOM 207 CD1 ILE A 21 -13.387 110.112 5.736 1.00 25.98 C ATOM 208 H ILE A 21 -9.682 110.340 6.806 1.00 0.00 H ATOM 209 N ALA A 22 -8.173 109.218 4.134 1.00 24.70 N ATOM 210 CA ALA A 22 -7.179 109.004 3.088 1.00 23.58 C ATOM 211 C ALA A 22 -6.059 108.097 3.576 1.00 27.53 C ATOM 212 O ALA A 22 -5.601 107.216 2.839 1.00 27.30 O ATOM 213 CB ALA A 22 -6.603 110.339 2.611 1.00 26.84 C ATOM 214 H ALA A 22 -8.393 110.181 4.460 1.00 0.00 H ATOM 215 N GLN A 23 -5.625 108.274 4.828 1.00 24.38 N ATOM 216 CA GLN A 23 -4.518 107.449 5.309 1.00 25.27 C ATOM 217 C GLN A 23 -4.938 105.996 5.494 1.00 25.18 C ATOM 218 O GLN A 23 -4.149 105.079 5.195 1.00 27.21 O ATOM 219 CB GLN A 23 -3.933 108.040 6.583 1.00 25.54 C ATOM 220 CG GLN A 23 -3.148 109.322 6.241 1.00 26.47 C ATOM 221 CD GLN A 23 -2.646 110.065 7.440 1.00 31.27 C ATOM 222 OE1 GLN A 23 -2.300 109.463 8.454 1.00 34.10 O ATOM 223 NE2 GLN A 23 -2.583 111.398 7.331 1.00 30.39 N ATOM 224 HE22 GLN A 23 -2.887 111.863 6.452 1.00 0.00 H ATOM 225 HE21 GLN A 23 -2.230 111.969 8.125 1.00 0.00 H ATOM 226 H GLN A 23 -6.066 108.984 5.447 1.00 0.00 H ATOM 227 N LEU A 24 -6.165 105.751 5.970 1.00 23.84 N ATOM 228 CA LEU A 24 -6.643 104.364 6.010 1.00 25.65 C ATOM 229 C LEU A 24 -6.732 103.783 4.599 1.00 30.13 C ATOM 230 O LEU A 24 -6.368 102.623 4.375 1.00 27.01 O ATOM 231 CB LEU A 24 -8.001 104.267 6.718 1.00 24.23 C ATOM 232 CG LEU A 24 -8.563 102.828 6.775 1.00 27.25 C ATOM 233 CD1 LEU A 24 -7.608 101.895 7.553 1.00 26.74 C ATOM 234 CD2 LEU A 24 -9.977 102.739 7.359 1.00 29.91 C ATOM 235 H LEU A 24 -6.768 106.529 6.305 1.00 0.00 H ATOM 236 N MET A 25 -7.220 104.569 3.626 1.00 24.00 N ATOM 237 CA MET A 25 -7.328 104.035 2.266 1.00 25.22 C ATOM 238 C MET A 25 -5.960 103.644 1.715 1.00 25.37 C ATOM 239 O MET A 25 -5.828 102.620 1.038 1.00 25.62 O ATOM 240 CB MET A 25 -8.006 105.055 1.351 1.00 27.81 C ATOM 241 CG MET A 25 -9.483 105.211 1.662 1.00 23.82 C ATOM 242 SD MET A 25 -10.242 106.553 0.718 1.00 26.77 S ATOM 243 CE MET A 25 -10.455 105.744 -0.882 1.00 30.48 C ATOM 244 H MET A 25 -7.517 105.543 3.835 1.00 0.00 H ATOM 245 N SER A 26 -4.935 104.465 1.969 1.00 26.48 N ATOM 246 CA SER A 26 -3.593 104.126 1.500 1.00 26.49 C ATOM 247 C SER A 26 -3.082 102.869 2.186 1.00 28.75 C ATOM 248 O SER A 26 -2.462 102.010 1.548 1.00 29.52 O ATOM 249 CB SER A 26 -2.631 105.284 1.761 1.00 29.34 C ATOM 250 OG SER A 26 -2.970 106.404 0.961 1.00 34.51 O ATOM 251 HG SER A 26 -2.919 106.153 0.005 1.00 0.00 H ATOM 252 H SER A 26 -5.093 105.345 2.500 1.00 0.00 H ATOM 253 N LEU A 27 -3.349 102.734 3.481 1.00 25.28 N ATOM 254 CA LEU A 27 -2.965 101.503 4.173 1.00 26.94 C ATOM 255 C LEU A 27 -3.624 100.290 3.523 1.00 26.36 C ATOM 256 O LEU A 27 -2.959 99.280 3.259 1.00 28.78 O ATOM 257 CB LEU A 27 -3.338 101.607 5.658 1.00 25.04 C ATOM 258 CG LEU A 27 -3.029 100.477 6.650 1.00 35.57 C ATOM 259 CD1 LEU A 27 -3.223 100.999 8.078 1.00 37.86 C ATOM 260 CD2 LEU A 27 -3.920 99.248 6.450 1.00 38.06 C ATOM 261 H LEU A 27 -3.828 103.498 3.999 1.00 0.00 H ATOM 262 N ILE A 28 -4.940 100.366 3.294 1.00 23.64 N ATOM 263 CA ILE A 28 -5.691 99.214 2.804 1.00 22.76 C ATOM 264 C ILE A 28 -5.297 98.863 1.372 1.00 26.32 C ATOM 265 O ILE A 28 -5.162 97.680 1.030 1.00 27.01 O ATOM 266 CB ILE A 28 -7.202 99.483 2.917 1.00 22.94 C ATOM 267 CG1 ILE A 28 -7.619 99.533 4.386 1.00 27.38 C ATOM 268 CG2 ILE A 28 -8.009 98.390 2.200 1.00 24.90 C ATOM 269 CD1 ILE A 28 -9.069 99.954 4.573 1.00 29.41 C ATOM 270 H ILE A 28 -5.437 101.263 3.468 1.00 0.00 H ATOM 271 N ILE A 29 -5.110 99.866 0.507 1.00 24.89 N ATOM 272 CA ILE A 29 -4.879 99.528 -0.896 1.00 26.41 C ATOM 273 C ILE A 29 -3.502 98.904 -1.083 1.00 26.61 C ATOM 274 O ILE A 29 -3.274 98.174 -2.060 1.00 27.58 O ATOM 275 CB ILE A 29 -5.075 100.757 -1.817 1.00 25.41 C ATOM 276 CG1 ILE A 29 -5.336 100.294 -3.262 1.00 28.11 C ATOM 277 CG2 ILE A 29 -3.877 101.721 -1.746 1.00 23.91 C ATOM 278 CD1 ILE A 29 -5.774 101.450 -4.224 1.00 25.28 C ATOM 279 H ILE A 29 -5.128 100.857 0.823 1.00 0.00 H ATOM 280 N ASN A 30 -2.576 99.158 -0.161 1.00 24.27 N ATOM 281 CA ASN A 30 -1.206 98.670 -0.294 1.00 23.51 C ATOM 282 C ASN A 30 -0.864 97.526 0.643 1.00 27.14 C ATOM 283 O ASN A 30 0.241 96.974 0.530 1.00 30.11 O ATOM 284 CB ASN A 30 -0.224 99.827 -0.080 1.00 28.26 C ATOM 285 CG ASN A 30 -0.282 100.837 -1.209 1.00 27.94 C ATOM 286 OD1 ASN A 30 -0.440 100.466 -2.377 1.00 27.29 O ATOM 287 ND2 ASN A 30 -0.171 102.122 -0.864 1.00 29.02 N ATOM 288 HD22 ASN A 30 -0.039 102.383 0.134 1.00 0.00 H ATOM 289 HD21 ASN A 30 -0.216 102.862 -1.593 1.00 0.00 H ATOM 290 H ASN A 30 -2.835 99.719 0.676 1.00 0.00 H ATOM 291 N THR A 31 -1.766 97.124 1.538 1.00 25.55 N ATOM 292 CA THR A 31 -1.373 96.136 2.542 1.00 25.79 C ATOM 293 C THR A 31 -1.205 94.751 1.925 1.00 30.46 C ATOM 294 O THR A 31 -1.862 94.392 0.940 1.00 29.60 O ATOM 295 CB THR A 31 -2.390 96.058 3.688 1.00 27.57 C ATOM 296 OG1 THR A 31 -1.900 95.126 4.669 1.00 29.10 O ATOM 297 CG2 THR A 31 -3.756 95.577 3.201 1.00 26.27 C ATOM 298 HG1 THR A 31 -1.026 95.439 5.012 1.00 0.00 H ATOM 299 H THR A 31 -2.733 97.506 1.523 1.00 0.00 H ATOM 300 N PHE A 32 -0.331 93.954 2.541 1.00 26.71 N ATOM 301 CA PHE A 32 -0.151 92.563 2.153 1.00 26.53 C ATOM 302 C PHE A 32 -0.999 91.613 2.979 1.00 33.24 C ATOM 303 O PHE A 32 -0.789 90.393 2.915 1.00 33.62 O ATOM 304 CB PHE A 32 1.322 92.183 2.243 1.00 28.59 C ATOM 305 CG PHE A 32 2.107 92.660 1.062 1.00 29.78 C ATOM 306 CD1 PHE A 32 2.578 93.959 1.018 1.00 31.65 C ATOM 307 CD2 PHE A 32 2.313 91.833 -0.031 1.00 32.71 C ATOM 308 CE1 PHE A 32 3.277 94.412 -0.078 1.00 32.63 C ATOM 309 CE2 PHE A 32 3.016 92.277 -1.135 1.00 32.47 C ATOM 310 CZ PHE A 32 3.492 93.578 -1.161 1.00 33.93 C ATOM 311 H PHE A 32 0.239 94.338 3.322 1.00 0.00 H ATOM 312 N TYR A 33 -1.935 92.144 3.762 1.00 28.54 N ATOM 313 CA TYR A 33 -2.914 91.323 4.475 1.00 32.05 C ATOM 314 C TYR A 33 -3.446 90.200 3.590 1.00 31.99 C ATOM 315 O TYR A 33 -3.864 90.435 2.458 1.00 37.83 O ATOM 316 CB TYR A 33 -4.064 92.213 4.929 1.00 30.12 C ATOM 317 CG TYR A 33 -5.084 91.505 5.780 1.00 30.70 C ATOM 318 CD1 TYR A 33 -4.758 91.066 7.056 1.00 34.25 C ATOM 319 CD2 TYR A 33 -6.372 91.290 5.318 1.00 33.13 C ATOM 320 CE1 TYR A 33 -5.694 90.412 7.850 1.00 37.92 C ATOM 321 CE2 TYR A 33 -7.315 90.633 6.110 1.00 37.30 C ATOM 322 CZ TYR A 33 -6.965 90.210 7.370 1.00 36.34 C ATOM 323 OH TYR A 33 -7.881 89.559 8.165 1.00 37.08 O ATOM 324 HH TYR A 33 -7.460 89.329 9.031 1.00 0.00 H ATOM 325 H TYR A 33 -1.972 93.178 3.871 1.00 0.00 H ATOM 326 N SER A 34 -3.435 88.975 4.113 1.00 34.53 N ATOM 327 CA SER A 34 -3.611 87.795 3.278 1.00 40.59 C ATOM 328 C SER A 34 -5.011 87.198 3.354 1.00 42.65 C ATOM 329 O SER A 34 -5.228 86.094 2.846 1.00 55.91 O ATOM 330 CB SER A 34 -2.579 86.732 3.655 1.00 42.68 C ATOM 331 OG SER A 34 -2.814 86.272 4.966 1.00 53.99 O ATOM 332 HG SER A 34 -2.745 87.031 5.598 1.00 0.00 H ATOM 333 H SER A 34 -3.298 88.859 5.137 1.00 0.00 H ATOM 334 N ASN A 35 -5.960 87.887 3.973 1.00 34.70 N ATOM 335 CA ASN A 35 -7.338 87.403 4.007 1.00 37.89 C ATOM 336 C ASN A 35 -8.227 88.439 3.319 1.00 38.62 C ATOM 337 O ASN A 35 -9.136 88.997 3.945 1.00 35.96 O ATOM 338 CB ASN A 35 -7.758 87.157 5.460 1.00 40.34 C ATOM 339 CG ASN A 35 -9.144 86.540 5.589 1.00 44.28 C ATOM 340 OD1 ASN A 35 -9.604 85.804 4.714 1.00 50.05 O ATOM 341 ND2 ASN A 35 -9.807 86.832 6.700 1.00 50.92 N ATOM 342 HD22 ASN A 35 -9.379 87.458 7.412 1.00 0.00 H ATOM 343 HD21 ASN A 35 -10.755 86.435 6.860 1.00 0.00 H ATOM 344 H ASN A 35 -5.720 88.784 4.441 1.00 0.00 H ATOM 345 N LYS A 36 -7.949 88.736 2.040 1.00 30.31 N ATOM 346 CA LYS A 36 -8.603 89.884 1.402 1.00 27.94 C ATOM 347 C LYS A 36 -10.075 89.632 1.092 1.00 30.53 C ATOM 348 O LYS A 36 -10.821 90.596 0.881 1.00 29.85 O ATOM 349 CB LYS A 36 -7.868 90.310 0.123 1.00 29.72 C ATOM 350 CG LYS A 36 -6.433 90.815 0.388 1.00 30.56 C ATOM 351 CD LYS A 36 -5.684 91.185 -0.883 1.00 33.96 C ATOM 352 CE LYS A 36 -4.617 92.249 -0.584 1.00 47.16 C ATOM 353 NZ LYS A 36 -3.423 91.586 -0.021 1.00 47.73 N ATOM 354 HZ1 LYS A 36 -3.683 91.093 0.857 1.00 0.00 H ATOM 355 HZ2 LYS A 36 -3.052 90.900 -0.709 1.00 0.00 H ATOM 356 HZ3 LYS A 36 -2.696 92.300 0.184 1.00 0.00 H ATOM 357 H LYS A 36 -7.273 88.155 1.504 1.00 0.00 H ATOM 358 N GLU A 37 -10.511 88.369 1.089 1.00 31.38 N ATOM 359 CA GLU A 37 -11.893 88.055 0.750 1.00 30.17 C ATOM 360 C GLU A 37 -12.888 88.713 1.699 1.00 34.99 C ATOM 361 O GLU A 37 -14.083 88.769 1.380 1.00 30.49 O ATOM 362 CB GLU A 37 -12.091 86.536 0.774 1.00 30.96 C ATOM 363 CG GLU A 37 -12.033 85.986 2.185 1.00 35.40 C ATOM 364 CD GLU A 37 -11.966 84.472 2.245 1.00 47.48 C ATOM 365 OE1 GLU A 37 -12.502 83.905 3.220 1.00 54.51 O ATOM 366 OE2 GLU A 37 -11.362 83.859 1.342 1.00 49.46 O ATOM 367 H GLU A 37 -9.855 87.599 1.332 1.00 0.00 H ATOM 368 N ILE A 38 -12.436 89.196 2.860 1.00 31.40 N ATOM 369 CA ILE A 38 -13.357 89.842 3.788 1.00 30.08 C ATOM 370 C ILE A 38 -14.003 91.082 3.187 1.00 30.63 C ATOM 371 O ILE A 38 -15.011 91.554 3.736 1.00 30.08 O ATOM 372 CB ILE A 38 -12.663 90.199 5.123 1.00 29.85 C ATOM 373 CG1 ILE A 38 -11.535 91.213 4.920 1.00 33.21 C ATOM 374 CG2 ILE A 38 -12.147 88.939 5.816 1.00 33.69 C ATOM 375 CD1 ILE A 38 -11.906 92.620 5.334 1.00 40.47 C ATOM 376 H ILE A 38 -11.428 89.111 3.102 1.00 0.00 H ATOM 377 N PHE A 39 -13.476 91.605 2.062 1.00 26.76 N ATOM 378 CA PHE A 39 -14.105 92.774 1.428 1.00 28.98 C ATOM 379 C PHE A 39 -15.556 92.489 1.073 1.00 31.40 C ATOM 380 O PHE A 39 -16.418 93.374 1.169 1.00 30.28 O ATOM 381 CB PHE A 39 -13.352 93.198 0.161 1.00 28.48 C ATOM 382 CG PHE A 39 -13.715 92.386 -1.066 1.00 30.00 C ATOM 383 CD1 PHE A 39 -13.070 91.184 -1.327 1.00 30.30 C ATOM 384 CD2 PHE A 39 -14.721 92.804 -1.934 1.00 28.52 C ATOM 385 CE1 PHE A 39 -13.404 90.412 -2.431 1.00 31.95 C ATOM 386 CE2 PHE A 39 -15.064 92.035 -3.052 1.00 30.74 C ATOM 387 CZ PHE A 39 -14.407 90.840 -3.300 1.00 33.83 C ATOM 388 H PHE A 39 -12.624 91.182 1.642 1.00 0.00 H ATOM 389 N LEU A 40 -15.841 91.262 0.643 1.00 27.68 N ATOM 390 CA LEU A 40 -17.184 90.940 0.174 1.00 25.72 C ATOM 391 C LEU A 40 -18.177 90.887 1.332 1.00 29.18 C ATOM 392 O LEU A 40 -19.313 91.356 1.199 1.00 31.61 O ATOM 393 CB LEU A 40 -17.160 89.612 -0.583 1.00 29.67 C ATOM 394 CG LEU A 40 -18.427 89.339 -1.387 1.00 31.83 C ATOM 395 CD1 LEU A 40 -18.706 90.454 -2.391 1.00 33.90 C ATOM 396 CD2 LEU A 40 -18.276 88.000 -2.097 1.00 39.12 C ATOM 397 H LEU A 40 -15.103 90.530 0.641 1.00 0.00 H ATOM 398 N ARG A 41 -17.769 90.311 2.471 1.00 27.03 N ATOM 399 CA ARG A 41 -18.601 90.331 3.673 1.00 31.35 C ATOM 400 C ARG A 41 -18.940 91.758 4.090 1.00 30.44 C ATOM 401 O ARG A 41 -20.073 92.038 4.505 1.00 31.85 O ATOM 402 CB ARG A 41 -17.881 89.600 4.814 1.00 39.49 C ATOM 403 CG ARG A 41 -18.404 89.889 6.220 1.00 46.63 C ATOM 404 CD ARG A 41 -17.393 89.377 7.288 1.00 46.17 C ATOM 405 NE ARG A 41 -16.303 90.323 7.484 1.00 53.93 N ATOM 406 CZ ARG A 41 -15.157 90.022 8.095 1.00 58.04 C ATOM 407 NH1 ARG A 41 -14.932 88.792 8.558 1.00 56.38 N ATOM 408 NH2 ARG A 41 -14.218 90.946 8.248 1.00 50.51 N ATOM 409 HE ARG A 41 -16.426 91.292 7.126 1.00 0.00 H ATOM 410 HH12 ARG A 41 -14.033 88.571 9.033 1.00 0.00 H ATOM 411 HH11 ARG A 41 -15.655 88.053 8.444 1.00 0.00 H ATOM 412 HH22 ARG A 41 -13.326 90.706 8.725 1.00 0.00 H ATOM 413 HH21 ARG A 41 -14.374 91.910 7.891 1.00 0.00 H ATOM 414 H ARG A 41 -16.842 89.840 2.501 1.00 0.00 H ATOM 415 N GLU A 42 -17.971 92.677 3.981 1.00 28.59 N ATOM 416 CA GLU A 42 -18.217 94.052 4.414 1.00 29.55 C ATOM 417 C GLU A 42 -19.204 94.761 3.487 1.00 29.88 C ATOM 418 O GLU A 42 -20.056 95.525 3.956 1.00 29.89 O ATOM 419 CB GLU A 42 -16.892 94.830 4.509 1.00 26.16 C ATOM 420 CG GLU A 42 -15.918 94.268 5.548 1.00 31.10 C ATOM 421 CD GLU A 42 -16.529 94.148 6.955 1.00 38.72 C ATOM 422 OE1 GLU A 42 -16.194 93.176 7.672 1.00 41.77 O ATOM 423 OE2 GLU A 42 -17.336 95.025 7.351 1.00 38.18 O ATOM 424 H GLU A 42 -17.045 92.413 3.589 1.00 0.00 H ATOM 425 N LEU A 43 -19.120 94.509 2.173 1.00 26.23 N ATOM 426 CA LEU A 43 -20.063 95.131 1.245 1.00 27.70 C ATOM 427 C LEU A 43 -21.452 94.542 1.411 1.00 30.27 C ATOM 428 O LEU A 43 -22.451 95.274 1.373 1.00 32.18 O ATOM 429 CB LEU A 43 -19.602 94.958 -0.205 1.00 27.93 C ATOM 430 CG LEU A 43 -18.327 95.718 -0.567 1.00 29.88 C ATOM 431 CD1 LEU A 43 -17.944 95.418 -2.004 1.00 35.63 C ATOM 432 CD2 LEU A 43 -18.452 97.227 -0.339 1.00 32.79 C ATOM 433 H LEU A 43 -18.383 93.870 1.813 1.00 0.00 H ATOM 434 N ILE A 44 -21.532 93.220 1.577 1.00 26.52 N ATOM 435 CA ILE A 44 -22.827 92.572 1.799 1.00 26.96 C ATOM 436 C ILE A 44 -23.440 93.065 3.103 1.00 29.78 C ATOM 437 O ILE A 44 -24.661 93.225 3.213 1.00 30.61 O ATOM 438 CB ILE A 44 -22.672 91.039 1.787 1.00 28.77 C ATOM 439 CG1 ILE A 44 -22.339 90.540 0.374 1.00 31.06 C ATOM 440 CG2 ILE A 44 -23.935 90.376 2.325 1.00 33.77 C ATOM 441 CD1 ILE A 44 -22.016 89.049 0.314 1.00 30.42 C ATOM 442 H ILE A 44 -20.666 92.644 1.548 1.00 0.00 H ATOM 443 N SER A 45 -22.600 93.330 4.108 1.00 30.34 N ATOM 444 CA SER A 45 -23.110 93.835 5.379 1.00 29.97 C ATOM 445 C SER A 45 -23.705 95.226 5.214 1.00 31.14 C ATOM 446 O SER A 45 -24.792 95.512 5.743 1.00 31.33 O ATOM 447 CB SER A 45 -21.991 93.840 6.424 1.00 34.56 C ATOM 448 OG SER A 45 -22.464 94.357 7.642 1.00 41.10 O ATOM 449 HG SER A 45 -23.211 93.796 7.970 1.00 0.00 H ATOM 450 H SER A 45 -21.579 93.176 3.984 1.00 0.00 H ATOM 451 N ASN A 46 -23.015 96.099 4.465 1.00 28.35 N ATOM 452 CA ASN A 46 -23.568 97.421 4.169 1.00 29.45 C ATOM 453 C ASN A 46 -24.876 97.316 3.387 1.00 29.19 C ATOM 454 O ASN A 46 -25.825 98.059 3.659 1.00 31.66 O ATOM 455 CB ASN A 46 -22.568 98.276 3.387 1.00 28.36 C ATOM 456 CG ASN A 46 -21.431 98.803 4.253 1.00 32.16 C ATOM 457 OD1 ASN A 46 -21.553 98.887 5.471 1.00 41.97 O ATOM 458 ND2 ASN A 46 -20.359 99.226 3.621 1.00 36.79 N ATOM 459 HD22 ASN A 46 -20.296 99.136 2.587 1.00 0.00 H ATOM 460 HD21 ASN A 46 -19.574 99.651 4.155 1.00 0.00 H ATOM 461 H ASN A 46 -22.081 95.835 4.092 1.00 0.00 H ATOM 462 N ALA A 47 -24.933 96.419 2.393 1.00 28.60 N ATOM 463 CA ALA A 47 -26.169 96.220 1.633 1.00 29.72 C ATOM 464 C ALA A 47 -27.302 95.762 2.537 1.00 33.12 C ATOM 465 O ALA A 47 -28.431 96.261 2.443 1.00 30.46 O ATOM 466 CB ALA A 47 -25.956 95.190 0.518 1.00 28.70 C ATOM 467 H ALA A 47 -24.090 95.858 2.159 1.00 0.00 H ATOM 468 N SER A 48 -27.021 94.778 3.399 1.00 30.33 N ATOM 469 CA SER A 48 -28.025 94.285 4.335 1.00 31.17 C ATOM 470 C SER A 48 -28.543 95.398 5.235 1.00 32.89 C ATOM 471 O SER A 48 -29.748 95.481 5.494 1.00 35.07 O ATOM 472 CB SER A 48 -27.427 93.159 5.179 1.00 30.51 C ATOM 473 OG SER A 48 -28.373 92.667 6.114 1.00 36.70 O ATOM 474 HG SER A 48 -28.653 93.401 6.716 1.00 0.00 H ATOM 475 H SER A 48 -26.070 94.357 3.402 1.00 0.00 H ATOM 476 N ASP A 49 -27.645 96.258 5.731 1.00 34.42 N ATOM 477 CA ASP A 49 -28.092 97.371 6.569 1.00 35.32 C ATOM 478 C ASP A 49 -28.987 98.329 5.776 1.00 31.59 C ATOM 479 O ASP A 49 -29.995 98.824 6.295 1.00 35.65 O ATOM 480 CB ASP A 49 -26.889 98.128 7.151 1.00 32.28 C ATOM 481 CG ASP A 49 -26.085 97.308 8.170 1.00 40.76 C ATOM 482 OD1 ASP A 49 -26.565 96.238 8.615 1.00 41.62 O ATOM 483 OD2 ASP A 49 -24.961 97.750 8.531 1.00 39.17 O ATOM 484 H ASP A 49 -26.634 96.136 5.522 1.00 0.00 H ATOM 485 N ALA A 50 -28.635 98.599 4.514 1.00 31.11 N ATOM 486 CA ALA A 50 -29.434 99.522 3.709 1.00 29.43 C ATOM 487 C ALA A 50 -30.780 98.909 3.351 1.00 32.97 C ATOM 488 O ALA A 50 -31.779 99.623 3.226 1.00 32.14 O ATOM 489 CB ALA A 50 -28.676 99.916 2.431 1.00 28.11 C ATOM 490 H ALA A 50 -27.791 98.151 4.104 1.00 0.00 H ATOM 491 N LEU A 51 -30.812 97.589 3.155 1.00 30.21 N ATOM 492 CA LEU A 51 -32.064 96.894 2.890 1.00 31.51 C ATOM 493 C LEU A 51 -32.945 96.840 4.134 1.00 34.34 C ATOM 494 O LEU A 51 -34.171 96.991 4.034 1.00 37.93 O ATOM 495 CB LEU A 51 -31.771 95.482 2.375 1.00 31.12 C ATOM 496 CG LEU A 51 -31.171 95.430 0.966 1.00 32.26 C ATOM 497 CD1 LEU A 51 -30.375 94.147 0.784 1.00 36.46 C ATOM 498 CD2 LEU A 51 -32.311 95.505 -0.048 1.00 33.05 C ATOM 499 H LEU A 51 -29.926 97.046 3.192 1.00 0.00 H ATOM 500 N ASP A 52 -32.349 96.608 5.316 1.00 35.31 N ATOM 501 CA ASP A 52 -33.116 96.732 6.558 1.00 35.55 C ATOM 502 C ASP A 52 -33.779 98.098 6.642 1.00 36.88 C ATOM 503 O ASP A 52 -34.934 98.217 7.059 1.00 38.45 O ATOM 504 CB ASP A 52 -32.223 96.550 7.793 1.00 36.60 C ATOM 505 CG ASP A 52 -31.794 95.109 8.030 1.00 43.87 C ATOM 506 OD1 ASP A 52 -32.379 94.189 7.422 1.00 43.78 O ATOM 507 OD2 ASP A 52 -30.874 94.919 8.857 1.00 43.76 O ATOM 508 H ASP A 52 -31.344 96.341 5.349 1.00 0.00 H ATOM 509 N LYS A 53 -33.052 99.144 6.247 1.00 35.22 N ATOM 510 CA LYS A 53 -33.546 100.503 6.433 1.00 36.31 C ATOM 511 C LYS A 53 -34.780 100.764 5.572 1.00 37.25 C ATOM 512 O LYS A 53 -35.801 101.247 6.070 1.00 39.26 O ATOM 513 CB LYS A 53 -32.415 101.494 6.121 1.00 35.97 C ATOM 514 CG LYS A 53 -32.761 102.940 6.391 1.00 40.58 C ATOM 515 CD LYS A 53 -32.767 103.225 7.878 1.00 52.33 C ATOM 516 CE LYS A 53 -32.813 104.716 8.152 1.00 59.57 C ATOM 517 NZ LYS A 53 -34.188 105.254 7.942 1.00 64.71 N ATOM 518 HZ1 LYS A 53 -34.478 105.085 6.958 1.00 0.00 H ATOM 519 HZ2 LYS A 53 -34.849 104.775 8.586 1.00 0.00 H ATOM 520 HZ3 LYS A 53 -34.193 106.276 8.136 1.00 0.00 H ATOM 521 H LYS A 53 -32.125 98.989 5.802 1.00 0.00 H ATOM 522 N ILE A 54 -34.723 100.427 4.278 1.00 36.12 N ATOM 523 CA ILE A 54 -35.896 100.655 3.426 1.00 37.33 C ATOM 524 C ILE A 54 -37.031 99.710 3.813 1.00 41.29 C ATOM 525 O ILE A 54 -38.209 100.073 3.709 1.00 42.19 O ATOM 526 CB ILE A 54 -35.535 100.535 1.926 1.00 36.05 C ATOM 527 CG1 ILE A 54 -36.750 100.841 1.050 1.00 37.93 C ATOM 528 CG2 ILE A 54 -35.020 99.152 1.588 1.00 34.86 C ATOM 529 CD1 ILE A 54 -37.306 102.245 1.245 1.00 44.89 C ATOM 530 H ILE A 54 -33.858 100.008 3.881 1.00 0.00 H ATOM 531 N ARG A 55 -36.709 98.496 4.279 1.00 39.45 N ATOM 532 CA ARG A 55 -37.762 97.586 4.710 1.00 41.47 C ATOM 533 C ARG A 55 -38.575 98.191 5.843 1.00 42.87 C ATOM 534 O ARG A 55 -39.808 98.108 5.847 1.00 46.13 O ATOM 535 CB ARG A 55 -37.170 96.244 5.138 1.00 42.77 C ATOM 536 CG ARG A 55 -38.260 95.224 5.494 1.00 50.12 C ATOM 537 CD ARG A 55 -37.695 93.837 5.674 1.00 53.09 C ATOM 538 NE ARG A 55 -36.771 93.786 6.799 1.00 67.45 N ATOM 539 CZ ARG A 55 -35.987 92.750 7.074 1.00 72.83 C ATOM 540 NH1 ARG A 55 -35.180 92.794 8.125 1.00 72.12 N ATOM 541 NH2 ARG A 55 -36.006 91.673 6.296 1.00 75.10 N ATOM 542 HE ARG A 55 -36.722 94.614 7.427 1.00 0.00 H ATOM 543 HH12 ARG A 55 -34.565 91.984 8.343 1.00 0.00 H ATOM 544 HH11 ARG A 55 -35.162 93.638 8.732 1.00 0.00 H ATOM 545 HH22 ARG A 55 -35.391 90.863 6.514 1.00 0.00 H ATOM 546 HH21 ARG A 55 -36.636 91.640 5.469 1.00 0.00 H ATOM 547 H ARG A 55 -35.712 98.205 4.333 1.00 0.00 H ATOM 548 N TYR A 56 -37.902 98.829 6.802 1.00 47.37 N ATOM 549 CA TYR A 56 -38.616 99.373 7.955 1.00 45.36 C ATOM 550 C TYR A 56 -39.396 100.626 7.584 1.00 49.54 C ATOM 551 O TYR A 56 -40.542 100.799 8.017 1.00 52.77 O ATOM 552 CB TYR A 56 -37.640 99.669 9.094 1.00 51.73 C ATOM 553 CG TYR A 56 -36.729 98.514 9.464 1.00 55.26 C ATOM 554 CD1 TYR A 56 -35.614 98.725 10.271 1.00 52.39 C ATOM 555 CD2 TYR A 56 -36.989 97.213 9.017 1.00 52.88 C ATOM 556 CE1 TYR A 56 -34.781 97.688 10.606 1.00 50.67 C ATOM 557 CE2 TYR A 56 -36.158 96.171 9.342 1.00 51.17 C ATOM 558 CZ TYR A 56 -35.058 96.413 10.140 1.00 50.08 C ATOM 559 OH TYR A 56 -34.230 95.370 10.474 1.00 49.30 O ATOM 560 HH TYR A 56 -33.494 95.704 11.045 1.00 0.00 H ATOM 561 H TYR A 56 -36.870 98.939 6.729 1.00 0.00 H ATOM 562 N GLU A 57 -38.799 101.518 6.788 1.00 48.31 N ATOM 563 CA GLU A 57 -39.535 102.708 6.369 1.00 52.14 C ATOM 564 C GLU A 57 -40.745 102.347 5.522 1.00 54.75 C ATOM 565 O GLU A 57 -41.752 103.065 5.542 1.00 60.39 O ATOM 566 CB GLU A 57 -38.625 103.674 5.607 1.00 58.08 C ATOM 567 CG GLU A 57 -37.252 103.836 6.228 1.00 63.40 C ATOM 568 CD GLU A 57 -36.763 105.270 6.210 1.00 75.16 C ATOM 569 OE1 GLU A 57 -36.445 105.787 7.300 1.00 82.48 O ATOM 570 OE2 GLU A 57 -36.711 105.872 5.114 1.00 75.83 O ATOM 571 H GLU A 57 -37.820 101.366 6.470 1.00 0.00 H ATOM 572 N SER A 58 -40.677 101.239 4.783 1.00 51.05 N ATOM 573 CA SER A 58 -41.813 100.837 3.963 1.00 53.00 C ATOM 574 C SER A 58 -42.966 100.309 4.803 1.00 60.60 C ATOM 575 O SER A 58 -44.104 100.279 4.320 1.00 63.64 O ATOM 576 CB SER A 58 -41.390 99.784 2.939 1.00 55.84 C ATOM 577 OG SER A 58 -41.366 98.491 3.516 1.00 59.86 O ATOM 578 HG SER A 58 -40.722 98.478 4.268 1.00 0.00 H ATOM 579 H SER A 58 -39.812 100.661 4.792 1.00 0.00 H ATOM 580 N LEU A 59 -42.703 99.903 6.046 1.00 58.34 N ATOM 581 CA LEU A 59 -43.791 99.493 6.930 1.00 67.86 C ATOM 582 C LEU A 59 -44.723 100.661 7.227 1.00 74.47 C ATOM 583 O LEU A 59 -45.949 100.535 7.119 1.00 81.78 O ATOM 584 CB LEU A 59 -43.226 98.907 8.225 1.00 67.80 C ATOM 585 CG LEU A 59 -42.454 97.597 8.069 1.00 66.75 C ATOM 586 CD1 LEU A 59 -41.934 97.119 9.413 1.00 68.29 C ATOM 587 CD2 LEU A 59 -43.325 96.534 7.415 1.00 70.26 C ATOM 588 H LEU A 59 -41.721 99.878 6.387 1.00 0.00 H ATOM 589 N THR A 60 -44.159 101.810 7.599 1.00 76.57 N ATOM 590 CA THR A 60 -44.971 102.988 7.881 1.00 84.49 C ATOM 591 C THR A 60 -45.347 103.765 6.625 1.00 83.19 C ATOM 592 O THR A 60 -46.228 104.628 6.694 1.00 82.82 O ATOM 593 CB THR A 60 -44.241 103.914 8.861 1.00 85.38 C ATOM 594 OG1 THR A 60 -42.846 103.952 8.541 1.00 82.24 O ATOM 595 CG2 THR A 60 -44.415 103.427 10.294 1.00 85.05 C ATOM 596 HG1 THR A 60 -42.379 104.551 9.176 1.00 0.00 H ATOM 597 H THR A 60 -43.125 101.867 7.689 1.00 0.00 H ATOM 598 N ASP A 61 -44.715 103.478 5.487 1.00 78.56 N ATOM 599 CA ASP A 61 -45.019 104.170 4.235 1.00 77.58 C ATOM 600 C ASP A 61 -44.745 103.221 3.078 1.00 73.23 C ATOM 601 O ASP A 61 -43.618 103.138 2.574 1.00 66.66 O ATOM 602 CB ASP A 61 -44.201 105.452 4.085 1.00 82.79 C ATOM 603 CG ASP A 61 -44.669 106.310 2.924 1.00 89.24 C ATOM 604 OD1 ASP A 61 -45.543 105.857 2.154 1.00 89.20 O ATOM 605 OD2 ASP A 61 -44.155 107.439 2.779 1.00 94.08 O ATOM 606 H ASP A 61 -43.983 102.739 5.490 1.00 0.00 H ATOM 607 N PRO A 62 -45.773 102.501 2.616 1.00 75.02 N ATOM 608 CA PRO A 62 -45.549 101.508 1.549 1.00 71.39 C ATOM 609 C PRO A 62 -45.203 102.114 0.198 1.00 68.23 C ATOM 610 O PRO A 62 -44.697 101.389 -0.670 1.00 67.31 O ATOM 611 CB PRO A 62 -46.883 100.748 1.488 1.00 74.01 C ATOM 612 CG PRO A 62 -47.585 101.075 2.780 1.00 78.79 C ATOM 613 CD PRO A 62 -47.150 102.461 3.128 1.00 76.53 C ATOM 614 N SER A 63 -45.451 103.408 -0.016 1.00 64.34 N ATOM 615 CA SER A 63 -45.104 104.019 -1.295 1.00 63.33 C ATOM 616 C SER A 63 -43.597 104.122 -1.494 1.00 57.28 C ATOM 617 O SER A 63 -43.140 104.228 -2.638 1.00 57.68 O ATOM 618 CB SER A 63 -45.742 105.403 -1.410 1.00 67.44 C ATOM 619 OG SER A 63 -45.256 106.272 -0.402 1.00 73.29 O ATOM 620 HG SER A 63 -45.471 105.896 0.488 1.00 0.00 H ATOM 621 H SER A 63 -45.893 103.982 0.730 1.00 0.00 H ATOM 622 N LYS A 64 -42.815 104.079 -0.414 1.00 52.76 N ATOM 623 CA LYS A 64 -41.361 104.096 -0.549 1.00 56.22 C ATOM 624 C LYS A 64 -40.845 102.929 -1.376 1.00 52.20 C ATOM 625 O LYS A 64 -39.690 102.959 -1.818 1.00 47.60 O ATOM 626 CB LYS A 64 -40.708 104.094 0.834 1.00 59.10 C ATOM 627 CG LYS A 64 -40.640 105.475 1.473 1.00 62.38 C ATOM 628 CD LYS A 64 -40.514 105.392 2.985 1.00 66.87 C ATOM 629 CE LYS A 64 -40.057 106.720 3.566 1.00 65.36 C ATOM 630 NZ LYS A 64 -40.357 107.833 2.627 1.00 66.07 N ATOM 631 HZ1 LYS A 64 -39.861 107.669 1.728 1.00 0.00 H ATOM 632 HZ2 LYS A 64 -41.382 107.874 2.456 1.00 0.00 H ATOM 633 HZ3 LYS A 64 -40.037 108.731 3.042 1.00 0.00 H ATOM 634 H LYS A 64 -43.244 104.033 0.532 1.00 0.00 H ATOM 635 N LEU A 65 -41.667 101.905 -1.598 1.00 50.71 N ATOM 636 CA LEU A 65 -41.286 100.779 -2.441 1.00 56.74 C ATOM 637 C LEU A 65 -41.740 100.942 -3.886 1.00 53.52 C ATOM 638 O LEU A 65 -41.538 100.023 -4.687 1.00 54.16 O ATOM 639 CB LEU A 65 -41.847 99.473 -1.865 1.00 60.14 C ATOM 640 CG LEU A 65 -41.206 98.976 -0.568 1.00 55.50 C ATOM 641 CD1 LEU A 65 -41.857 97.670 -0.130 1.00 56.21 C ATOM 642 CD2 LEU A 65 -39.694 98.811 -0.725 1.00 54.60 C ATOM 643 H LEU A 65 -42.609 101.909 -1.157 1.00 0.00 H ATOM 644 N ASP A 66 -42.338 102.085 -4.238 1.00 50.85 N ATOM 645 CA ASP A 66 -42.709 102.338 -5.630 1.00 61.30 C ATOM 646 C ASP A 66 -41.507 102.238 -6.562 1.00 59.18 C ATOM 647 O ASP A 66 -41.657 101.867 -7.733 1.00 60.76 O ATOM 648 CB ASP A 66 -43.360 103.716 -5.759 1.00 63.29 C ATOM 649 CG ASP A 66 -44.808 103.729 -5.291 1.00 71.95 C ATOM 650 OD1 ASP A 66 -45.283 102.698 -4.766 1.00 72.21 O ATOM 651 OD2 ASP A 66 -45.464 104.781 -5.435 1.00 75.99 O ATOM 652 H ASP A 66 -42.542 102.803 -3.513 1.00 0.00 H ATOM 653 N SER A 67 -40.313 102.556 -6.063 1.00 50.46 N ATOM 654 CA SER A 67 -39.080 102.484 -6.834 1.00 45.78 C ATOM 655 C SER A 67 -38.500 101.073 -6.903 1.00 52.31 C ATOM 656 O SER A 67 -37.321 100.918 -7.255 1.00 50.86 O ATOM 657 CB SER A 67 -38.045 103.437 -6.234 1.00 48.63 C ATOM 658 OG SER A 67 -38.013 103.301 -4.821 1.00 48.42 O ATOM 659 HG SER A 67 -37.340 103.923 -4.446 1.00 0.00 H ATOM 660 H SER A 67 -40.259 102.871 -5.073 1.00 0.00 H ATOM 661 N GLY A 68 -39.287 100.054 -6.560 1.00 54.07 N ATOM 662 CA GLY A 68 -38.820 98.681 -6.559 1.00 55.48 C ATOM 663 C GLY A 68 -39.214 97.941 -5.297 1.00 57.03 C ATOM 664 O GLY A 68 -38.815 98.329 -4.195 1.00 52.47 O ATOM 665 H GLY A 68 -40.270 100.250 -6.283 1.00 0.00 H ATOM 666 N LYS A 69 -40.001 96.873 -5.437 1.00 54.01 N ATOM 667 CA LYS A 69 -40.522 96.180 -4.266 1.00 44.35 C ATOM 668 C LYS A 69 -39.588 95.097 -3.744 1.00 48.79 C ATOM 669 O LYS A 69 -39.589 94.828 -2.538 1.00 58.23 O ATOM 670 CB LYS A 69 -41.894 95.570 -4.575 1.00 47.46 C ATOM 671 CG LYS A 69 -43.037 96.581 -4.580 1.00 59.57 C ATOM 672 CD LYS A 69 -44.392 95.896 -4.650 1.00 60.86 C ATOM 673 CE LYS A 69 -44.948 95.624 -3.259 1.00 60.76 C ATOM 674 NZ LYS A 69 -44.605 96.703 -2.289 1.00 59.00 N ATOM 675 HZ1 LYS A 69 -43.571 96.783 -2.212 1.00 0.00 H ATOM 676 HZ2 LYS A 69 -45.000 97.606 -2.622 1.00 0.00 H ATOM 677 HZ3 LYS A 69 -45.006 96.471 -1.358 1.00 0.00 H ATOM 678 H LYS A 69 -40.244 96.533 -6.389 1.00 0.00 H ATOM 679 N GLU A 70 -38.778 94.479 -4.603 1.00 45.16 N ATOM 680 CA GLU A 70 -37.931 93.380 -4.159 1.00 46.30 C ATOM 681 C GLU A 70 -36.690 93.899 -3.445 1.00 45.64 C ATOM 682 O GLU A 70 -36.045 94.844 -3.902 1.00 46.12 O ATOM 683 CB GLU A 70 -37.514 92.497 -5.337 1.00 50.87 C ATOM 684 CG GLU A 70 -36.746 91.259 -4.891 1.00 55.29 C ATOM 685 CD GLU A 70 -36.333 90.352 -6.035 1.00 66.04 C ATOM 686 OE1 GLU A 70 -35.921 89.202 -5.754 1.00 60.64 O ATOM 687 OE2 GLU A 70 -36.421 90.783 -7.205 1.00 68.59 O ATOM 688 H GLU A 70 -38.750 94.783 -5.597 1.00 0.00 H ATOM 689 N LEU A 71 -36.359 93.265 -2.318 1.00 39.76 N ATOM 690 CA LEU A 71 -35.162 93.581 -1.543 1.00 35.87 C ATOM 691 C LEU A 71 -34.169 92.446 -1.755 1.00 36.16 C ATOM 692 O LEU A 71 -34.416 91.306 -1.342 1.00 38.42 O ATOM 693 CB LEU A 71 -35.502 93.777 -0.066 1.00 40.72 C ATOM 694 CG LEU A 71 -36.630 94.783 0.185 1.00 44.63 C ATOM 695 CD1 LEU A 71 -36.913 94.960 1.660 1.00 49.89 C ATOM 696 CD2 LEU A 71 -36.294 96.122 -0.448 1.00 43.24 C ATOM 697 H LEU A 71 -36.985 92.508 -1.975 1.00 0.00 H ATOM 698 N LYS A 72 -33.049 92.760 -2.399 1.00 36.30 N ATOM 699 CA LYS A 72 -32.176 91.719 -2.917 1.00 35.19 C ATOM 700 C LYS A 72 -30.778 92.278 -3.110 1.00 34.37 C ATOM 701 O LYS A 72 -30.575 93.494 -3.162 1.00 32.17 O ATOM 702 CB LYS A 72 -32.712 91.178 -4.247 1.00 42.11 C ATOM 703 CG LYS A 72 -32.744 92.250 -5.344 1.00 41.09 C ATOM 704 CD LYS A 72 -33.036 91.652 -6.722 1.00 44.56 C ATOM 705 CE LYS A 72 -32.978 92.719 -7.804 1.00 46.72 C ATOM 706 NZ LYS A 72 -32.760 92.130 -9.160 1.00 55.05 N ATOM 707 HZ1 LYS A 72 -31.861 91.608 -9.169 1.00 0.00 H ATOM 708 HZ2 LYS A 72 -33.541 91.481 -9.384 1.00 0.00 H ATOM 709 HZ3 LYS A 72 -32.727 92.892 -9.867 1.00 0.00 H ATOM 710 H LYS A 72 -32.795 93.759 -2.533 1.00 0.00 H ATOM 711 N ILE A 73 -29.819 91.360 -3.231 1.00 34.87 N ATOM 712 CA ILE A 73 -28.429 91.672 -3.536 1.00 33.12 C ATOM 713 C ILE A 73 -28.022 90.881 -4.774 1.00 33.70 C ATOM 714 O ILE A 73 -28.245 89.668 -4.840 1.00 35.89 O ATOM 715 CB ILE A 73 -27.497 91.335 -2.356 1.00 32.13 C ATOM 716 CG1 ILE A 73 -27.927 92.070 -1.092 1.00 33.25 C ATOM 717 CG2 ILE A 73 -26.048 91.691 -2.698 1.00 31.02 C ATOM 718 CD1 ILE A 73 -27.251 91.524 0.161 1.00 38.19 C ATOM 719 H ILE A 73 -30.079 90.361 -3.100 1.00 0.00 H ATOM 720 N ASP A 74 -27.429 91.562 -5.752 1.00 34.15 N ATOM 721 CA ASP A 74 -26.913 90.910 -6.949 1.00 33.70 C ATOM 722 C ASP A 74 -25.409 91.140 -7.041 1.00 30.34 C ATOM 723 O ASP A 74 -24.913 92.226 -6.718 1.00 30.53 O ATOM 724 CB ASP A 74 -27.609 91.429 -8.215 1.00 35.79 C ATOM 725 CG ASP A 74 -29.094 91.064 -8.262 1.00 46.66 C ATOM 726 OD1 ASP A 74 -29.485 90.023 -7.675 1.00 42.81 O ATOM 727 OD2 ASP A 74 -29.871 91.836 -8.874 1.00 47.27 O ATOM 728 H ASP A 74 -27.331 92.593 -5.659 1.00 0.00 H ATOM 729 N ILE A 75 -24.679 90.113 -7.474 1.00 32.55 N ATOM 730 CA ILE A 75 -23.228 90.189 -7.596 1.00 31.39 C ATOM 731 C ILE A 75 -22.859 89.775 -9.011 1.00 29.25 C ATOM 732 O ILE A 75 -23.252 88.696 -9.462 1.00 33.74 O ATOM 733 CB ILE A 75 -22.516 89.307 -6.557 1.00 33.60 C ATOM 734 CG1 ILE A 75 -22.921 89.779 -5.158 1.00 34.23 C ATOM 735 CG2 ILE A 75 -20.992 89.403 -6.753 1.00 33.00 C ATOM 736 CD1 ILE A 75 -22.432 88.908 -4.031 1.00 39.62 C ATOM 737 H ILE A 75 -25.160 89.228 -7.733 1.00 0.00 H ATOM 738 N ILE A 76 -22.126 90.637 -9.710 1.00 32.02 N ATOM 739 CA ILE A 76 -21.892 90.479 -11.142 1.00 34.51 C ATOM 740 C ILE A 76 -20.402 90.583 -11.441 1.00 31.48 C ATOM 741 O ILE A 76 -19.880 91.697 -11.565 1.00 34.27 O ATOM 742 CB ILE A 76 -22.663 91.536 -11.952 1.00 36.96 C ATOM 743 CG1 ILE A 76 -24.159 91.490 -11.622 1.00 37.63 C ATOM 744 CG2 ILE A 76 -22.447 91.317 -13.439 1.00 40.12 C ATOM 745 CD1 ILE A 76 -24.631 92.715 -10.861 1.00 42.76 C ATOM 746 H ILE A 76 -21.705 91.452 -9.219 1.00 0.00 H ATOM 747 N PRO A 77 -19.677 89.471 -11.568 1.00 35.91 N ATOM 748 CA PRO A 77 -18.299 89.548 -12.065 1.00 32.49 C ATOM 749 C PRO A 77 -18.301 89.739 -13.572 1.00 36.58 C ATOM 750 O PRO A 77 -19.138 89.184 -14.288 1.00 38.90 O ATOM 751 CB PRO A 77 -17.695 88.185 -11.687 1.00 39.63 C ATOM 752 CG PRO A 77 -18.734 87.472 -10.864 1.00 47.97 C ATOM 753 CD PRO A 77 -20.054 88.099 -11.202 1.00 38.87 C ATOM 754 N ASN A 78 -17.347 90.532 -14.054 1.00 34.96 N ATOM 755 CA ASN A 78 -17.244 90.858 -15.473 1.00 37.60 C ATOM 756 C ASN A 78 -15.784 90.713 -15.881 1.00 33.71 C ATOM 757 O ASN A 78 -14.999 91.659 -15.754 1.00 33.28 O ATOM 758 CB ASN A 78 -17.765 92.265 -15.745 1.00 37.18 C ATOM 759 CG ASN A 78 -17.840 92.581 -17.225 1.00 43.36 C ATOM 760 OD1 ASN A 78 -17.152 91.969 -18.040 1.00 44.18 O ATOM 761 ND2 ASN A 78 -18.672 93.552 -17.577 1.00 49.22 N ATOM 762 HD22 ASN A 78 -19.235 94.043 -16.853 1.00 0.00 H ATOM 763 HD21 ASN A 78 -18.762 93.823 -18.577 1.00 0.00 H ATOM 764 H ASN A 78 -16.650 90.934 -13.396 1.00 0.00 H ATOM 765 N PRO A 79 -15.384 89.539 -16.374 1.00 37.27 N ATOM 766 CA PRO A 79 -13.969 89.351 -16.744 1.00 37.40 C ATOM 767 C PRO A 79 -13.463 90.318 -17.806 1.00 43.66 C ATOM 768 O PRO A 79 -12.297 90.729 -17.745 1.00 43.11 O ATOM 769 CB PRO A 79 -13.934 87.899 -17.239 1.00 42.70 C ATOM 770 CG PRO A 79 -15.071 87.238 -16.531 1.00 50.03 C ATOM 771 CD PRO A 79 -16.147 88.282 -16.438 1.00 43.22 C ATOM 772 N GLN A 80 -14.293 90.688 -18.783 1.00 45.92 N ATOM 773 CA GLN A 80 -13.808 91.537 -19.872 1.00 43.77 C ATOM 774 C GLN A 80 -13.513 92.961 -19.414 1.00 44.63 C ATOM 775 O GLN A 80 -12.633 93.622 -19.977 1.00 46.11 O ATOM 776 CB GLN A 80 -14.819 91.554 -21.019 1.00 50.89 C ATOM 777 CG GLN A 80 -15.105 90.176 -21.592 1.00 53.12 C ATOM 778 CD GLN A 80 -15.923 90.228 -22.872 1.00 55.34 C ATOM 779 OE1 GLN A 80 -15.500 90.809 -23.864 1.00 56.89 O ATOM 780 NE2 GLN A 80 -17.097 89.614 -22.854 1.00 55.70 N ATOM 781 HE22 GLN A 80 -17.419 89.132 -21.990 1.00 0.00 H ATOM 782 HE21 GLN A 80 -17.697 89.614 -23.704 1.00 0.00 H ATOM 783 H GLN A 80 -15.284 90.373 -18.771 1.00 0.00 H ATOM 784 N GLU A 81 -14.242 93.466 -18.429 1.00 41.08 N ATOM 785 CA GLU A 81 -13.977 94.793 -17.894 1.00 40.92 C ATOM 786 C GLU A 81 -13.129 94.746 -16.633 1.00 37.47 C ATOM 787 O GLU A 81 -12.757 95.801 -16.110 1.00 37.78 O ATOM 788 CB GLU A 81 -15.298 95.525 -17.608 1.00 45.48 C ATOM 789 CG GLU A 81 -16.197 95.670 -18.833 1.00 61.62 C ATOM 790 CD GLU A 81 -15.514 96.390 -19.990 1.00 58.30 C ATOM 791 OE1 GLU A 81 -14.687 97.292 -19.736 1.00 55.74 O ATOM 792 OE2 GLU A 81 -15.810 96.052 -21.156 1.00 58.22 O ATOM 793 H GLU A 81 -15.020 92.902 -18.030 1.00 0.00 H ATOM 794 N ARG A 82 -12.807 93.545 -16.156 1.00 36.68 N ATOM 795 CA ARG A 82 -12.133 93.317 -14.877 1.00 31.89 C ATOM 796 C ARG A 82 -12.837 94.034 -13.730 1.00 31.37 C ATOM 797 O ARG A 82 -12.211 94.699 -12.900 1.00 33.11 O ATOM 798 CB ARG A 82 -10.659 93.715 -14.936 1.00 35.93 C ATOM 799 CG ARG A 82 -9.803 92.749 -14.114 1.00 48.27 C ATOM 800 CD ARG A 82 -8.571 93.413 -13.548 1.00 53.43 C ATOM 801 NE ARG A 82 -7.599 93.713 -14.584 1.00 57.36 N ATOM 802 CZ ARG A 82 -6.595 94.570 -14.438 1.00 55.91 C ATOM 803 NH1 ARG A 82 -6.435 95.230 -13.298 1.00 43.47 N ATOM 804 NH2 ARG A 82 -5.756 94.770 -15.440 1.00 50.87 N ATOM 805 HE ARG A 82 -7.695 93.226 -15.498 1.00 0.00 H ATOM 806 HH12 ARG A 82 -5.646 95.900 -13.191 1.00 0.00 H ATOM 807 HH11 ARG A 82 -7.098 95.078 -12.511 1.00 0.00 H ATOM 808 HH22 ARG A 82 -4.968 95.440 -15.332 1.00 0.00 H ATOM 809 HH21 ARG A 82 -5.884 94.258 -16.336 1.00 0.00 H ATOM 810 H ARG A 82 -13.051 92.713 -16.731 1.00 0.00 H ATOM 811 N THR A 83 -14.158 93.893 -13.675 1.00 31.62 N ATOM 812 CA THR A 83 -14.912 94.502 -12.588 1.00 30.00 C ATOM 813 C THR A 83 -15.724 93.455 -11.846 1.00 31.06 C ATOM 814 O THR A 83 -16.180 92.464 -12.427 1.00 31.31 O ATOM 815 CB THR A 83 -15.862 95.611 -13.079 1.00 31.56 C ATOM 816 OG1 THR A 83 -16.803 95.054 -14.010 1.00 35.48 O ATOM 817 CG2 THR A 83 -15.080 96.750 -13.721 1.00 33.03 C ATOM 818 HG1 THR A 83 -17.327 94.343 -13.563 1.00 0.00 H ATOM 819 H THR A 83 -14.653 93.347 -14.409 1.00 0.00 H ATOM 820 N LEU A 84 -15.903 93.690 -10.553 1.00 28.85 N ATOM 821 CA LEU A 84 -16.873 92.957 -9.749 1.00 30.12 C ATOM 822 C LEU A 84 -17.867 93.982 -9.223 1.00 30.40 C ATOM 823 O LEU A 84 -17.466 94.955 -8.582 1.00 29.85 O ATOM 824 CB LEU A 84 -16.203 92.197 -8.598 1.00 30.61 C ATOM 825 CG LEU A 84 -17.150 91.380 -7.706 1.00 28.40 C ATOM 826 CD1 LEU A 84 -17.839 90.261 -8.464 1.00 29.14 C ATOM 827 CD2 LEU A 84 -16.433 90.793 -6.483 1.00 32.70 C ATOM 828 H LEU A 84 -15.329 94.426 -10.095 1.00 0.00 H ATOM 829 N THR A 85 -19.152 93.764 -9.496 1.00 30.66 N ATOM 830 CA THR A 85 -20.203 94.710 -9.141 1.00 31.01 C ATOM 831 C THR A 85 -21.139 94.081 -8.122 1.00 27.40 C ATOM 832 O THR A 85 -21.548 92.920 -8.275 1.00 29.14 O ATOM 833 CB THR A 85 -20.995 95.138 -10.387 1.00 33.45 C ATOM 834 OG1 THR A 85 -20.127 95.829 -11.292 1.00 32.64 O ATOM 835 CG2 THR A 85 -22.155 96.069 -10.009 1.00 37.70 C ATOM 836 HG1 THR A 85 -20.639 96.104 -12.094 1.00 0.00 H ATOM 837 H THR A 85 -19.417 92.883 -9.982 1.00 0.00 H ATOM 838 N LEU A 86 -21.463 94.838 -7.070 1.00 29.12 N ATOM 839 CA LEU A 86 -22.508 94.451 -6.124 1.00 28.26 C ATOM 840 C LEU A 86 -23.607 95.498 -6.198 1.00 27.15 C ATOM 841 O LEU A 86 -23.325 96.695 -6.119 1.00 32.47 O ATOM 842 CB LEU A 86 -21.968 94.335 -4.692 1.00 32.77 C ATOM 843 CG LEU A 86 -22.972 93.873 -3.621 1.00 40.37 C ATOM 844 CD1 LEU A 86 -22.250 93.014 -2.584 1.00 41.10 C ATOM 845 CD2 LEU A 86 -23.681 95.055 -2.935 1.00 43.40 C ATOM 846 H LEU A 86 -20.955 95.733 -6.919 1.00 0.00 H ATOM 847 N VAL A 87 -24.848 95.058 -6.387 1.00 27.97 N ATOM 848 CA VAL A 87 -25.981 95.974 -6.493 1.00 30.60 C ATOM 849 C VAL A 87 -27.024 95.531 -5.491 1.00 32.84 C ATOM 850 O VAL A 87 -27.442 94.368 -5.507 1.00 32.76 O ATOM 851 CB VAL A 87 -26.613 95.990 -7.898 1.00 45.02 C ATOM 852 CG1 VAL A 87 -27.542 97.194 -8.030 1.00 38.69 C ATOM 853 CG2 VAL A 87 -25.559 95.969 -8.983 1.00 56.85 C ATOM 854 H VAL A 87 -25.016 94.034 -6.461 1.00 0.00 H ATOM 855 N ASP A 88 -27.448 96.443 -4.628 1.00 29.96 N ATOM 856 CA ASP A 88 -28.558 96.125 -3.741 1.00 28.09 C ATOM 857 C ASP A 88 -29.706 97.088 -4.005 1.00 33.83 C ATOM 858 O ASP A 88 -29.528 98.160 -4.591 1.00 35.44 O ATOM 859 CB ASP A 88 -28.139 96.170 -2.264 1.00 34.58 C ATOM 860 CG ASP A 88 -27.757 97.560 -1.797 1.00 35.18 C ATOM 861 OD1 ASP A 88 -28.627 98.455 -1.782 1.00 38.13 O ATOM 862 OD2 ASP A 88 -26.583 97.757 -1.414 1.00 38.47 O ATOM 863 H ASP A 88 -26.992 97.377 -4.585 1.00 0.00 H ATOM 864 N THR A 89 -30.901 96.686 -3.583 1.00 29.40 N ATOM 865 CA THR A 89 -32.072 97.547 -3.709 1.00 32.20 C ATOM 866 C THR A 89 -32.449 98.154 -2.365 1.00 35.70 C ATOM 867 O THR A 89 -33.630 98.266 -2.016 1.00 35.05 O ATOM 868 CB THR A 89 -33.236 96.775 -4.329 1.00 34.75 C ATOM 869 OG1 THR A 89 -33.491 95.592 -3.563 1.00 36.64 O ATOM 870 CG2 THR A 89 -32.875 96.364 -5.754 1.00 35.82 C ATOM 871 HG1 THR A 89 -34.245 95.095 -3.967 1.00 0.00 H ATOM 872 H THR A 89 -31.003 95.743 -3.156 1.00 0.00 H ATOM 873 N GLY A 90 -31.440 98.562 -1.591 1.00 32.72 N ATOM 874 CA GLY A 90 -31.669 99.160 -0.290 1.00 32.86 C ATOM 875 C GLY A 90 -32.113 100.604 -0.415 1.00 38.75 C ATOM 876 O GLY A 90 -32.554 101.058 -1.473 1.00 31.35 O ATOM 877 H GLY A 90 -30.464 98.448 -1.931 1.00 0.00 H ATOM 878 N ILE A 91 -31.974 101.342 0.690 1.00 30.66 N ATOM 879 CA ILE A 91 -32.534 102.689 0.766 1.00 30.50 C ATOM 880 C ILE A 91 -31.740 103.694 -0.055 1.00 30.20 C ATOM 881 O ILE A 91 -32.261 104.765 -0.388 1.00 31.19 O ATOM 882 CB ILE A 91 -32.628 103.135 2.238 1.00 29.08 C ATOM 883 CG1 ILE A 91 -33.431 104.433 2.353 1.00 37.66 C ATOM 884 CG2 ILE A 91 -31.223 103.273 2.842 1.00 32.31 C ATOM 885 CD1 ILE A 91 -34.206 104.576 3.633 1.00 45.24 C ATOM 886 H ILE A 91 -31.461 100.953 1.506 1.00 0.00 H ATOM 887 N GLY A 92 -30.495 103.390 -0.382 1.00 28.98 N ATOM 888 CA GLY A 92 -29.668 104.309 -1.150 1.00 29.95 C ATOM 889 C GLY A 92 -29.224 105.510 -0.323 1.00 33.62 C ATOM 890 O GLY A 92 -29.500 105.627 0.873 1.00 30.97 O ATOM 891 H GLY A 92 -30.099 102.476 -0.084 1.00 0.00 H ATOM 892 N MET A 93 -28.509 106.420 -0.991 1.00 29.03 N ATOM 893 CA MET A 93 -27.991 107.631 -0.366 1.00 25.80 C ATOM 894 C MET A 93 -28.322 108.862 -1.204 1.00 28.59 C ATOM 895 O MET A 93 -28.224 108.831 -2.428 1.00 31.98 O ATOM 896 CB MET A 93 -26.462 107.554 -0.190 1.00 28.85 C ATOM 897 CG MET A 93 -26.028 106.532 0.851 1.00 31.14 C ATOM 898 SD MET A 93 -24.245 106.279 0.757 1.00 32.16 S ATOM 899 CE MET A 93 -24.127 105.243 -0.706 1.00 33.72 C ATOM 900 H MET A 93 -28.314 106.257 -1.999 1.00 0.00 H ATOM 901 N THR A 94 -28.691 109.951 -0.534 1.00 30.22 N ATOM 902 CA THR A 94 -28.766 111.237 -1.216 1.00 32.84 C ATOM 903 C THR A 94 -27.361 111.767 -1.514 1.00 33.75 C ATOM 904 O THR A 94 -26.360 111.300 -0.966 1.00 30.54 O ATOM 905 CB THR A 94 -29.501 112.253 -0.358 1.00 35.84 C ATOM 906 OG1 THR A 94 -28.763 112.444 0.857 1.00 37.45 O ATOM 907 CG2 THR A 94 -30.924 111.765 -0.041 1.00 30.57 C ATOM 908 HG1 THR A 94 -29.232 113.105 1.426 1.00 0.00 H ATOM 909 H THR A 94 -28.926 109.884 0.477 1.00 0.00 H ATOM 910 N LYS A 95 -27.290 112.780 -2.383 1.00 32.71 N ATOM 911 CA LYS A 95 -25.995 113.391 -2.694 1.00 31.28 C ATOM 912 C LYS A 95 -25.298 113.881 -1.430 1.00 31.04 C ATOM 913 O LYS A 95 -24.100 113.638 -1.230 1.00 30.98 O ATOM 914 CB LYS A 95 -26.178 114.561 -3.673 1.00 34.96 C ATOM 915 CG LYS A 95 -24.857 115.187 -4.126 1.00 30.56 C ATOM 916 CD LYS A 95 -25.061 116.509 -4.855 1.00 33.54 C ATOM 917 CE LYS A 95 -23.720 117.071 -5.319 1.00 43.22 C ATOM 918 NZ LYS A 95 -23.848 118.446 -5.906 1.00 43.17 N ATOM 919 HZ1 LYS A 95 -24.485 118.413 -6.728 1.00 0.00 H ATOM 920 HZ2 LYS A 95 -24.237 119.092 -5.190 1.00 0.00 H ATOM 921 HZ3 LYS A 95 -22.911 118.782 -6.205 1.00 0.00 H ATOM 922 H LYS A 95 -28.155 113.135 -2.839 1.00 0.00 H ATOM 923 N ALA A 96 -26.035 114.586 -0.563 1.00 31.12 N ATOM 924 CA ALA A 96 -25.423 115.116 0.652 1.00 35.93 C ATOM 925 C ALA A 96 -24.851 114.001 1.513 1.00 33.04 C ATOM 926 O ALA A 96 -23.727 114.112 2.026 1.00 30.45 O ATOM 927 CB ALA A 96 -26.443 115.930 1.446 1.00 36.74 C ATOM 928 H ALA A 96 -27.043 114.756 -0.755 1.00 0.00 H ATOM 929 N ASP A 97 -25.603 112.911 1.680 1.00 30.62 N ATOM 930 CA ASP A 97 -25.105 111.820 2.511 1.00 31.90 C ATOM 931 C ASP A 97 -24.004 111.035 1.816 1.00 31.56 C ATOM 932 O ASP A 97 -23.107 110.512 2.484 1.00 32.55 O ATOM 933 CB ASP A 97 -26.262 110.896 2.921 1.00 36.35 C ATOM 934 CG ASP A 97 -27.186 111.532 3.961 1.00 44.23 C ATOM 935 OD1 ASP A 97 -26.781 112.516 4.636 1.00 40.94 O ATOM 936 OD2 ASP A 97 -28.319 111.028 4.123 1.00 42.73 O ATOM 937 H ASP A 97 -26.534 112.840 1.223 1.00 0.00 H ATOM 938 N LEU A 98 -24.049 110.930 0.484 1.00 29.21 N ATOM 939 CA LEU A 98 -22.967 110.266 -0.240 1.00 29.11 C ATOM 940 C LEU A 98 -21.637 110.976 -0.003 1.00 30.50 C ATOM 941 O LEU A 98 -20.632 110.342 0.338 1.00 31.10 O ATOM 942 CB LEU A 98 -23.300 110.215 -1.733 1.00 31.26 C ATOM 943 CG LEU A 98 -22.275 109.584 -2.671 1.00 28.99 C ATOM 944 CD1 LEU A 98 -22.049 108.105 -2.368 1.00 27.61 C ATOM 945 CD2 LEU A 98 -22.752 109.771 -4.111 1.00 29.80 C ATOM 946 H LEU A 98 -24.858 111.323 -0.039 1.00 0.00 H ATOM 947 N ILE A 99 -21.620 112.303 -0.140 1.00 27.78 N ATOM 948 CA ILE A 99 -20.380 113.056 0.051 1.00 29.19 C ATOM 949 C ILE A 99 -19.942 112.993 1.507 1.00 34.74 C ATOM 950 O ILE A 99 -18.776 112.718 1.818 1.00 30.99 O ATOM 951 CB ILE A 99 -20.569 114.513 -0.399 1.00 31.21 C ATOM 952 CG1 ILE A 99 -20.693 114.610 -1.924 1.00 32.93 C ATOM 953 CG2 ILE A 99 -19.449 115.408 0.143 1.00 35.80 C ATOM 954 CD1 ILE A 99 -21.074 116.020 -2.354 1.00 35.47 C ATOM 955 H ILE A 99 -22.496 112.807 -0.385 1.00 0.00 H ATOM 956 N ASN A 100 -20.878 113.257 2.418 1.00 29.24 N ATOM 957 CA ASN A 100 -20.568 113.306 3.845 1.00 29.26 C ATOM 958 C ASN A 100 -20.124 111.939 4.362 1.00 30.62 C ATOM 959 O ASN A 100 -19.110 111.823 5.059 1.00 33.38 O ATOM 960 CB ASN A 100 -21.805 113.792 4.602 1.00 32.02 C ATOM 961 CG ASN A 100 -21.478 114.452 5.919 1.00 53.05 C ATOM 962 OD1 ASN A 100 -20.426 115.076 6.078 1.00 56.89 O ATOM 963 ND2 ASN A 100 -22.391 114.323 6.882 1.00 47.56 N ATOM 964 HD22 ASN A 100 -23.264 113.787 6.702 1.00 0.00 H ATOM 965 HD21 ASN A 100 -22.230 114.758 7.813 1.00 0.00 H ATOM 966 H ASN A 100 -21.854 113.433 2.105 1.00 0.00 H ATOM 967 N ASN A 101 -20.874 110.891 4.033 1.00 30.87 N ATOM 968 CA ASN A 101 -20.593 109.589 4.636 1.00 31.92 C ATOM 969 C ASN A 101 -19.258 109.019 4.166 1.00 33.96 C ATOM 970 O ASN A 101 -18.481 108.506 4.988 1.00 33.96 O ATOM 971 CB ASN A 101 -21.728 108.610 4.343 1.00 32.77 C ATOM 972 CG ASN A 101 -23.007 108.959 5.091 1.00 37.79 C ATOM 973 OD1 ASN A 101 -23.063 109.942 5.824 1.00 39.14 O ATOM 974 ND2 ASN A 101 -24.044 108.164 4.885 1.00 44.21 N ATOM 975 HD22 ASN A 101 -23.952 107.341 4.255 1.00 0.00 H ATOM 976 HD21 ASN A 101 -24.952 108.362 5.353 1.00 0.00 H ATOM 977 H ASN A 101 -21.654 110.997 3.353 1.00 0.00 H ATOM 978 N LEU A 102 -18.961 109.097 2.859 1.00 28.12 N ATOM 979 CA LEU A 102 -17.731 108.505 2.341 1.00 26.80 C ATOM 980 C LEU A 102 -16.527 109.428 2.455 1.00 27.64 C ATOM 981 O LEU A 102 -15.385 108.949 2.528 1.00 27.96 O ATOM 982 CB LEU A 102 -17.903 108.108 0.871 1.00 26.62 C ATOM 983 CG LEU A 102 -18.943 107.013 0.627 1.00 31.09 C ATOM 984 CD1 LEU A 102 -18.847 106.511 -0.791 1.00 30.53 C ATOM 985 CD2 LEU A 102 -18.743 105.882 1.600 1.00 43.77 C ATOM 986 H LEU A 102 -19.612 109.583 2.210 1.00 0.00 H ATOM 987 N GLY A 103 -16.763 110.735 2.446 1.00 28.07 N ATOM 988 CA GLY A 103 -15.688 111.703 2.412 1.00 29.29 C ATOM 989 C GLY A 103 -15.313 112.276 3.762 1.00 29.74 C ATOM 990 O GLY A 103 -14.173 112.714 3.946 1.00 28.54 O ATOM 991 H GLY A 103 -17.747 111.072 2.464 1.00 0.00 H ATOM 992 N THR A 104 -16.249 112.285 4.719 1.00 27.03 N ATOM 993 CA THR A 104 -16.051 113.097 5.916 1.00 28.71 C ATOM 994 C THR A 104 -16.367 112.360 7.219 1.00 31.67 C ATOM 995 O THR A 104 -15.491 112.234 8.077 1.00 28.13 O ATOM 996 CB THR A 104 -16.894 114.370 5.816 1.00 32.00 C ATOM 997 OG1 THR A 104 -16.559 115.051 4.592 1.00 35.50 O ATOM 998 CG2 THR A 104 -16.616 115.298 6.989 1.00 34.67 C ATOM 999 HG1 THR A 104 -15.597 115.284 4.598 1.00 0.00 H ATOM 1000 H THR A 104 -17.113 111.716 4.610 1.00 0.00 H ATOM 1001 N ILE A 105 -17.607 111.879 7.384 1.00 25.94 N ATOM 1002 CA ILE A 105 -18.065 111.355 8.678 1.00 26.27 C ATOM 1003 C ILE A 105 -17.356 110.071 9.088 1.00 28.33 C ATOM 1004 O ILE A 105 -17.394 109.699 10.277 1.00 31.37 O ATOM 1005 CB ILE A 105 -19.595 111.135 8.622 1.00 34.97 C ATOM 1006 CG1 ILE A 105 -20.337 112.457 8.555 1.00 49.78 C ATOM 1007 CG2 ILE A 105 -20.110 110.376 9.841 1.00 53.00 C ATOM 1008 CD1 ILE A 105 -19.763 113.539 9.374 1.00 49.93 C ATOM 1009 H ILE A 105 -18.262 111.877 6.576 1.00 0.00 H ATOM 1010 N ALA A 106 -16.724 109.386 8.144 1.00 28.26 N ATOM 1011 CA ALA A 106 -15.975 108.183 8.480 1.00 26.31 C ATOM 1012 C ALA A 106 -14.672 108.478 9.219 1.00 29.18 C ATOM 1013 O ALA A 106 -13.980 107.531 9.607 1.00 29.22 O ATOM 1014 CB ALA A 106 -15.643 107.392 7.212 1.00 25.29 C ATOM 1015 H ALA A 106 -16.764 109.710 7.157 1.00 0.00 H ATOM 1016 N LYS A 107 -14.304 109.751 9.383 1.00 24.41 N ATOM 1017 CA LYS A 107 -13.058 110.121 10.049 1.00 25.02 C ATOM 1018 C LYS A 107 -12.888 109.439 11.408 1.00 26.21 C ATOM 1019 O LYS A 107 -11.823 108.882 11.698 1.00 28.83 O ATOM 1020 CB LYS A 107 -13.014 111.650 10.191 1.00 29.09 C ATOM 1021 CG LYS A 107 -11.956 112.177 11.139 1.00 32.30 C ATOM 1022 CD LYS A 107 -11.988 113.701 11.194 1.00 29.95 C ATOM 1023 CE LYS A 107 -11.037 114.244 12.271 1.00 33.11 C ATOM 1024 NZ LYS A 107 -11.594 114.142 13.648 1.00 36.57 N ATOM 1025 HZ1 LYS A 107 -12.478 114.687 13.704 1.00 0.00 H ATOM 1026 HZ2 LYS A 107 -11.785 113.144 13.870 1.00 0.00 H ATOM 1027 HZ3 LYS A 107 -10.906 114.524 14.328 1.00 0.00 H ATOM 1028 H LYS A 107 -14.925 110.504 9.025 1.00 0.00 H ATOM 1029 N SER A 108 -13.909 109.486 12.275 1.00 24.91 N ATOM 1030 CA SER A 108 -13.708 108.933 13.612 1.00 30.10 C ATOM 1031 C SER A 108 -13.455 107.429 13.561 1.00 25.92 C ATOM 1032 O SER A 108 -12.597 106.910 14.293 1.00 28.52 O ATOM 1033 CB SER A 108 -14.909 109.242 14.500 1.00 44.76 C ATOM 1034 OG SER A 108 -14.799 110.562 14.995 1.00 52.74 O ATOM 1035 HG SER A 108 -15.578 110.763 15.571 1.00 0.00 H ATOM 1036 H SER A 108 -14.821 109.905 12.003 1.00 0.00 H ATOM 1037 N GLY A 109 -14.207 106.718 12.721 1.00 26.48 N ATOM 1038 CA GLY A 109 -14.035 105.274 12.635 1.00 25.75 C ATOM 1039 C GLY A 109 -12.697 104.882 12.033 1.00 29.26 C ATOM 1040 O GLY A 109 -12.022 103.985 12.539 1.00 27.89 O ATOM 1041 H GLY A 109 -14.916 107.194 12.127 1.00 0.00 H ATOM 1042 N THR A 110 -12.292 105.553 10.953 1.00 28.53 N ATOM 1043 CA THR A 110 -11.005 105.214 10.343 1.00 25.53 C ATOM 1044 C THR A 110 -9.843 105.547 11.276 1.00 27.81 C ATOM 1045 O THR A 110 -8.865 104.794 11.348 1.00 27.84 O ATOM 1046 CB THR A 110 -10.837 105.923 8.988 1.00 26.96 C ATOM 1047 OG1 THR A 110 -10.851 107.348 9.166 1.00 27.90 O ATOM 1048 CG2 THR A 110 -11.962 105.511 7.993 1.00 24.31 C ATOM 1049 HG1 THR A 110 -11.713 107.621 9.569 1.00 0.00 H ATOM 1050 H THR A 110 -12.883 106.307 10.550 1.00 0.00 H ATOM 1051 N LYS A 111 -9.923 106.662 12.010 1.00 27.72 N ATOM 1052 CA LYS A 111 -8.862 106.987 12.961 1.00 28.18 C ATOM 1053 C LYS A 111 -8.783 105.946 14.069 1.00 29.69 C ATOM 1054 O LYS A 111 -7.692 105.467 14.420 1.00 29.21 O ATOM 1055 CB LYS A 111 -9.102 108.385 13.549 1.00 30.39 C ATOM 1056 CG LYS A 111 -8.145 108.789 14.648 1.00 33.63 C ATOM 1057 CD LYS A 111 -8.462 110.210 15.062 1.00 36.84 C ATOM 1058 CE LYS A 111 -7.528 110.721 16.135 1.00 41.69 C ATOM 1059 NZ LYS A 111 -7.873 112.138 16.466 1.00 42.54 N ATOM 1060 HZ1 LYS A 111 -7.776 112.725 15.613 1.00 0.00 H ATOM 1061 HZ2 LYS A 111 -8.854 112.184 16.810 1.00 0.00 H ATOM 1062 HZ3 LYS A 111 -7.229 112.487 17.204 1.00 0.00 H ATOM 1063 H LYS A 111 -10.740 107.297 11.904 1.00 0.00 H ATOM 1064 N ALA A 112 -9.935 105.599 14.651 1.00 28.75 N ATOM 1065 CA ALA A 112 -9.959 104.599 15.712 1.00 30.54 C ATOM 1066 C ALA A 112 -9.456 103.257 15.212 1.00 28.86 C ATOM 1067 O ALA A 112 -8.755 102.541 15.942 1.00 32.29 O ATOM 1068 CB ALA A 112 -11.377 104.455 16.279 1.00 30.74 C ATOM 1069 H ALA A 112 -10.822 106.046 14.344 1.00 0.00 H ATOM 1070 N PHE A 113 -9.817 102.894 13.975 1.00 28.66 N ATOM 1071 CA PHE A 113 -9.385 101.619 13.411 1.00 27.23 C ATOM 1072 C PHE A 113 -7.872 101.592 13.230 1.00 30.73 C ATOM 1073 O PHE A 113 -7.222 100.613 13.601 1.00 33.13 O ATOM 1074 CB PHE A 113 -10.109 101.367 12.088 1.00 27.92 C ATOM 1075 CG PHE A 113 -9.780 100.045 11.434 1.00 27.78 C ATOM 1076 CD1 PHE A 113 -9.793 98.870 12.158 1.00 33.16 C ATOM 1077 CD2 PHE A 113 -9.502 99.993 10.084 1.00 29.78 C ATOM 1078 CE1 PHE A 113 -9.509 97.658 11.542 1.00 33.60 C ATOM 1079 CE2 PHE A 113 -9.219 98.781 9.457 1.00 34.32 C ATOM 1080 CZ PHE A 113 -9.220 97.621 10.186 1.00 31.04 C ATOM 1081 H PHE A 113 -10.414 103.530 13.408 1.00 0.00 H ATOM 1082 N MET A 114 -7.281 102.668 12.695 1.00 29.90 N ATOM 1083 CA MET A 114 -5.825 102.679 12.556 1.00 26.84 C ATOM 1084 C MET A 114 -5.123 102.601 13.909 1.00 30.94 C ATOM 1085 O MET A 114 -4.093 101.929 14.040 1.00 33.48 O ATOM 1086 CB MET A 114 -5.383 103.905 11.756 1.00 30.03 C ATOM 1087 CG MET A 114 -5.678 103.704 10.285 1.00 31.20 C ATOM 1088 SD MET A 114 -5.040 105.045 9.272 1.00 32.40 S ATOM 1089 CE MET A 114 -6.000 106.433 9.905 1.00 32.19 C ATOM 1090 H MET A 114 -7.848 103.482 12.383 1.00 0.00 H ATOM 1091 N GLU A 115 -5.675 103.244 14.943 1.00 30.55 N ATOM 1092 CA GLU A 115 -5.074 103.116 16.268 1.00 30.76 C ATOM 1093 C GLU A 115 -5.159 101.683 16.784 1.00 33.61 C ATOM 1094 O GLU A 115 -4.222 101.187 17.422 1.00 35.26 O ATOM 1095 CB GLU A 115 -5.742 104.069 17.254 1.00 35.26 C ATOM 1096 CG GLU A 115 -5.397 105.523 17.015 1.00 47.65 C ATOM 1097 CD GLU A 115 -5.876 106.429 18.132 1.00 67.84 C ATOM 1098 OE1 GLU A 115 -6.025 107.641 17.873 1.00 69.95 O ATOM 1099 OE2 GLU A 115 -6.086 105.918 19.256 1.00 71.45 O ATOM 1100 H GLU A 115 -6.524 103.829 14.805 1.00 0.00 H ATOM 1101 N ALA A 116 -6.287 101.015 16.539 1.00 34.94 N ATOM 1102 CA ALA A 116 -6.421 99.625 16.961 1.00 37.00 C ATOM 1103 C ALA A 116 -5.454 98.722 16.203 1.00 32.00 C ATOM 1104 O ALA A 116 -4.868 97.811 16.791 1.00 36.94 O ATOM 1105 CB ALA A 116 -7.864 99.155 16.767 1.00 35.83 C ATOM 1106 H ALA A 116 -7.073 101.486 16.046 1.00 0.00 H ATOM 1107 N LEU A 117 -5.299 98.948 14.888 1.00 33.46 N ATOM 1108 CA LEU A 117 -4.343 98.171 14.092 1.00 32.44 C ATOM 1109 C LEU A 117 -2.921 98.342 14.613 1.00 37.34 C ATOM 1110 O LEU A 117 -2.156 97.371 14.695 1.00 37.37 O ATOM 1111 CB LEU A 117 -4.410 98.592 12.623 1.00 32.47 C ATOM 1112 CG LEU A 117 -5.639 98.235 11.789 1.00 33.28 C ATOM 1113 CD1 LEU A 117 -5.539 98.838 10.399 1.00 34.31 C ATOM 1114 CD2 LEU A 117 -5.798 96.717 11.700 1.00 32.95 C ATOM 1115 H LEU A 117 -5.867 99.687 14.426 1.00 0.00 H ATOM 1116 N GLN A 118 -2.542 99.571 14.963 1.00 34.99 N ATOM 1117 CA GLN A 118 -1.193 99.789 15.484 1.00 35.02 C ATOM 1118 C GLN A 118 -0.990 99.047 16.800 1.00 38.65 C ATOM 1119 O GLN A 118 0.135 98.635 17.124 1.00 43.16 O ATOM 1120 CB GLN A 118 -0.945 101.292 15.641 1.00 38.36 C ATOM 1121 CG GLN A 118 0.390 101.670 16.250 1.00 43.09 C ATOM 1122 CD GLN A 118 0.606 103.177 16.219 1.00 44.95 C ATOM 1123 OE1 GLN A 118 0.272 103.844 15.232 1.00 46.46 O ATOM 1124 NE2 GLN A 118 1.108 103.726 17.316 1.00 39.92 N ATOM 1125 HE22 GLN A 118 1.375 103.126 18.122 1.00 0.00 H ATOM 1126 HE21 GLN A 118 1.235 104.757 17.370 1.00 0.00 H ATOM 1127 H GLN A 118 -3.201 100.370 14.866 1.00 0.00 H ATOM 1128 N ALA A 119 -2.068 98.838 17.552 1.00 40.86 N ATOM 1129 CA ALA A 119 -2.026 98.137 18.827 1.00 44.52 C ATOM 1130 C ALA A 119 -2.176 96.627 18.688 1.00 49.94 C ATOM 1131 O ALA A 119 -2.128 95.919 19.703 1.00 53.66 O ATOM 1132 CB ALA A 119 -3.113 98.681 19.758 1.00 45.11 C ATOM 1133 H ALA A 119 -2.985 99.193 17.212 1.00 0.00 H ATOM 1134 N GLY A 120 -2.351 96.109 17.473 1.00 42.74 N ATOM 1135 CA GLY A 120 -2.396 94.672 17.274 1.00 49.80 C ATOM 1136 C GLY A 120 -3.707 94.116 16.760 1.00 51.66 C ATOM 1137 O GLY A 120 -3.812 92.891 16.606 1.00 51.92 O ATOM 1138 H GLY A 120 -2.457 96.743 16.656 1.00 0.00 H ATOM 1139 N ALA A 121 -4.714 94.952 16.509 1.00 44.00 N ATOM 1140 CA ALA A 121 -5.922 94.468 15.857 1.00 41.32 C ATOM 1141 C ALA A 121 -5.601 94.031 14.430 1.00 48.86 C ATOM 1142 O ALA A 121 -4.542 94.342 13.880 1.00 45.86 O ATOM 1143 CB ALA A 121 -7.008 95.545 15.850 1.00 38.93 C ATOM 1144 H ALA A 121 -4.637 95.953 16.780 1.00 0.00 H ATOM 1145 N ASP A 122 -6.527 93.302 13.814 1.00 42.59 N ATOM 1146 CA ASP A 122 -6.320 92.875 12.440 1.00 48.22 C ATOM 1147 C ASP A 122 -7.393 93.464 11.528 1.00 42.97 C ATOM 1148 O ASP A 122 -8.455 93.906 11.973 1.00 38.52 O ATOM 1149 CB ASP A 122 -6.273 91.346 12.333 1.00 56.38 C ATOM 1150 CG ASP A 122 -7.546 90.689 12.781 1.00 62.85 C ATOM 1151 OD1 ASP A 122 -8.447 91.411 13.250 1.00 74.22 O ATOM 1152 OD2 ASP A 122 -7.642 89.446 12.673 1.00 60.37 O ATOM 1153 H ASP A 122 -7.399 93.037 14.315 1.00 0.00 H ATOM 1154 N ILE A 123 -7.086 93.476 10.230 1.00 34.84 N ATOM 1155 CA ILE A 123 -7.903 94.200 9.261 1.00 29.84 C ATOM 1156 C ILE A 123 -9.307 93.624 9.159 1.00 30.70 C ATOM 1157 O ILE A 123 -10.257 94.351 8.834 1.00 34.33 O ATOM 1158 CB ILE A 123 -7.162 94.207 7.907 1.00 35.19 C ATOM 1159 CG1 ILE A 123 -6.065 95.272 7.947 1.00 44.59 C ATOM 1160 CG2 ILE A 123 -8.104 94.413 6.730 1.00 31.47 C ATOM 1161 CD1 ILE A 123 -5.020 95.102 6.879 1.00 49.61 C ATOM 1162 H ILE A 123 -6.246 92.958 9.901 1.00 0.00 H ATOM 1163 N SER A 124 -9.478 92.338 9.471 1.00 34.18 N ATOM 1164 CA SER A 124 -10.813 91.754 9.446 1.00 33.77 C ATOM 1165 C SER A 124 -11.761 92.400 10.450 1.00 36.77 C ATOM 1166 O SER A 124 -12.972 92.177 10.352 1.00 35.28 O ATOM 1167 CB SER A 124 -10.752 90.244 9.712 1.00 36.59 C ATOM 1168 OG SER A 124 -10.455 89.964 11.069 1.00 40.10 O ATOM 1169 HG SER A 124 -9.577 90.358 11.302 1.00 0.00 H ATOM 1170 H SER A 124 -8.659 91.753 9.732 1.00 0.00 H ATOM 1171 N MET A 125 -11.248 93.181 11.405 1.00 33.09 N ATOM 1172 CA MET A 125 -12.092 93.857 12.388 1.00 33.83 C ATOM 1173 C MET A 125 -12.671 95.175 11.877 1.00 32.27 C ATOM 1174 O MET A 125 -13.347 95.869 12.641 1.00 33.51 O ATOM 1175 CB MET A 125 -11.297 94.115 13.671 1.00 36.62 C ATOM 1176 CG MET A 125 -10.912 92.868 14.435 1.00 39.07 C ATOM 1177 SD MET A 125 -9.824 93.254 15.831 1.00 43.56 S ATOM 1178 CE MET A 125 -10.683 94.706 16.455 1.00 43.88 C ATOM 1179 H MET A 125 -10.217 93.312 11.450 1.00 0.00 H ATOM 1180 N ILE A 126 -12.452 95.524 10.605 1.00 29.06 N ATOM 1181 CA ILE A 126 -12.773 96.865 10.109 1.00 25.09 C ATOM 1182 C ILE A 126 -14.244 97.220 10.334 1.00 30.99 C ATOM 1183 O ILE A 126 -14.577 98.379 10.615 1.00 29.28 O ATOM 1184 CB ILE A 126 -12.376 96.989 8.624 1.00 27.51 C ATOM 1185 CG1 ILE A 126 -12.560 98.420 8.134 1.00 28.89 C ATOM 1186 CG2 ILE A 126 -13.181 96.015 7.737 1.00 29.06 C ATOM 1187 CD1 ILE A 126 -11.977 98.643 6.748 1.00 29.95 C ATOM 1188 H ILE A 126 -12.043 94.826 9.951 1.00 0.00 H ATOM 1189 N GLY A 127 -15.145 96.244 10.222 1.00 29.51 N ATOM 1190 CA GLY A 127 -16.561 96.543 10.389 1.00 35.13 C ATOM 1191 C GLY A 127 -16.959 96.941 11.803 1.00 33.96 C ATOM 1192 O GLY A 127 -18.007 97.574 11.987 1.00 33.29 O ATOM 1193 H GLY A 127 -14.838 95.272 10.016 1.00 0.00 H ATOM 1194 N GLN A 128 -16.145 96.593 12.801 1.00 28.89 N ATOM 1195 CA GLN A 128 -16.399 97.014 14.177 1.00 31.58 C ATOM 1196 C GLN A 128 -16.133 98.496 14.397 1.00 33.29 C ATOM 1197 O GLN A 128 -16.390 98.995 15.502 1.00 34.34 O ATOM 1198 CB GLN A 128 -15.548 96.193 15.141 1.00 34.32 C ATOM 1199 CG GLN A 128 -15.800 94.689 15.019 1.00 34.53 C ATOM 1200 CD GLN A 128 -14.910 93.871 15.937 1.00 39.45 C ATOM 1201 OE1 GLN A 128 -14.557 92.734 15.625 1.00 50.27 O ATOM 1202 NE2 GLN A 128 -14.570 94.433 17.088 1.00 46.27 N ATOM 1203 HE22 GLN A 128 -14.891 95.397 17.311 1.00 0.00 H ATOM 1204 HE21 GLN A 128 -13.982 93.910 17.768 1.00 0.00 H ATOM 1205 H GLN A 128 -15.310 96.008 12.595 1.00 0.00 H ATOM 1206 N PHE A 129 -15.604 99.187 13.389 1.00 26.61 N ATOM 1207 CA PHE A 129 -15.350 100.618 13.448 1.00 30.13 C ATOM 1208 C PHE A 129 -16.259 101.379 12.504 1.00 25.97 C ATOM 1209 O PHE A 129 -16.106 102.598 12.339 1.00 28.07 O ATOM 1210 CB PHE A 129 -13.865 100.883 13.165 1.00 27.26 C ATOM 1211 CG PHE A 129 -12.986 100.292 14.216 1.00 29.98 C ATOM 1212 CD1 PHE A 129 -12.654 98.931 14.190 1.00 30.04 C ATOM 1213 CD2 PHE A 129 -12.563 101.056 15.289 1.00 28.24 C ATOM 1214 CE1 PHE A 129 -11.886 98.368 15.195 1.00 31.17 C ATOM 1215 CE2 PHE A 129 -11.801 100.502 16.295 1.00 32.84 C ATOM 1216 CZ PHE A 129 -11.456 99.142 16.252 1.00 34.14 C ATOM 1217 H PHE A 129 -15.360 98.678 12.516 1.00 0.00 H ATOM 1218 N GLY A 130 -17.211 100.682 11.886 1.00 29.95 N ATOM 1219 CA GLY A 130 -18.189 101.274 10.989 1.00 29.94 C ATOM 1220 C GLY A 130 -17.672 101.746 9.649 1.00 31.63 C ATOM 1221 O GLY A 130 -18.358 102.531 8.980 1.00 32.34 O ATOM 1222 H GLY A 130 -17.257 99.657 12.055 1.00 0.00 H ATOM 1223 N VAL A 131 -16.495 101.275 9.219 1.00 26.13 N ATOM 1224 CA VAL A 131 -15.860 101.779 8.006 1.00 24.60 C ATOM 1225 C VAL A 131 -15.453 100.620 7.100 1.00 26.19 C ATOM 1226 O VAL A 131 -14.488 100.721 6.334 1.00 24.85 O ATOM 1227 CB VAL A 131 -14.652 102.681 8.333 1.00 25.98 C ATOM 1228 CG1 VAL A 131 -15.150 103.948 9.035 1.00 29.91 C ATOM 1229 CG2 VAL A 131 -13.605 101.935 9.192 1.00 30.19 C ATOM 1230 H VAL A 131 -16.020 100.528 9.765 1.00 0.00 H ATOM 1231 N GLY A 132 -16.213 99.526 7.141 1.00 26.12 N ATOM 1232 CA GLY A 132 -15.857 98.373 6.311 1.00 25.65 C ATOM 1233 C GLY A 132 -15.878 98.629 4.816 1.00 25.87 C ATOM 1234 O GLY A 132 -15.203 97.910 4.062 1.00 27.33 O ATOM 1235 H GLY A 132 -17.051 99.491 7.756 1.00 0.00 H ATOM 1236 N PHE A 133 -16.612 99.652 4.363 1.00 25.82 N ATOM 1237 CA PHE A 133 -16.632 99.952 2.933 1.00 26.26 C ATOM 1238 C PHE A 133 -15.227 100.058 2.361 1.00 27.91 C ATOM 1239 O PHE A 133 -14.960 99.562 1.265 1.00 27.38 O ATOM 1240 CB PHE A 133 -17.389 101.255 2.663 1.00 23.68 C ATOM 1241 CG PHE A 133 -17.101 101.843 1.306 1.00 27.79 C ATOM 1242 CD1 PHE A 133 -17.600 101.245 0.158 1.00 28.99 C ATOM 1243 CD2 PHE A 133 -16.302 102.975 1.179 1.00 27.90 C ATOM 1244 CE1 PHE A 133 -17.318 101.762 -1.106 1.00 26.52 C ATOM 1245 CE2 PHE A 133 -16.011 103.504 -0.089 1.00 31.46 C ATOM 1246 CZ PHE A 133 -16.527 102.884 -1.232 1.00 28.11 C ATOM 1247 H PHE A 133 -17.166 100.231 5.026 1.00 0.00 H ATOM 1248 N TYR A 134 -14.308 100.690 3.095 1.00 24.32 N ATOM 1249 CA TYR A 134 -12.983 100.928 2.523 1.00 25.60 C ATOM 1250 C TYR A 134 -12.182 99.653 2.352 1.00 26.56 C ATOM 1251 O TYR A 134 -11.146 99.686 1.681 1.00 24.63 O ATOM 1252 CB TYR A 134 -12.209 101.941 3.373 1.00 25.21 C ATOM 1253 CG TYR A 134 -12.975 103.242 3.511 1.00 26.54 C ATOM 1254 CD1 TYR A 134 -12.975 104.185 2.485 1.00 25.58 C ATOM 1255 CD2 TYR A 134 -13.720 103.503 4.644 1.00 25.35 C ATOM 1256 CE1 TYR A 134 -13.709 105.374 2.601 1.00 27.14 C ATOM 1257 CE2 TYR A 134 -14.448 104.672 4.773 1.00 28.48 C ATOM 1258 CZ TYR A 134 -14.437 105.604 3.755 1.00 28.43 C ATOM 1259 OH TYR A 134 -15.162 106.761 3.915 1.00 28.67 O ATOM 1260 HH TYR A 134 -15.059 107.328 3.110 1.00 0.00 H ATOM 1261 H TYR A 134 -14.531 101.008 4.060 1.00 0.00 H ATOM 1262 N SER A 135 -12.645 98.526 2.894 1.00 23.58 N ATOM 1263 CA SER A 135 -11.963 97.274 2.601 1.00 25.71 C ATOM 1264 C SER A 135 -12.112 96.874 1.138 1.00 25.22 C ATOM 1265 O SER A 135 -11.424 95.958 0.703 1.00 24.68 O ATOM 1266 CB SER A 135 -12.475 96.144 3.506 1.00 24.35 C ATOM 1267 OG SER A 135 -13.811 95.798 3.172 1.00 27.74 O ATOM 1268 HG SER A 135 -14.394 96.590 3.287 1.00 0.00 H ATOM 1269 H SER A 135 -13.479 98.541 3.515 1.00 0.00 H ATOM 1270 N ALA A 136 -12.989 97.540 0.374 1.00 25.81 N ATOM 1271 CA ALA A 136 -13.022 97.333 -1.074 1.00 24.00 C ATOM 1272 C ALA A 136 -11.650 97.471 -1.718 1.00 25.73 C ATOM 1273 O ALA A 136 -11.344 96.766 -2.698 1.00 25.96 O ATOM 1274 CB ALA A 136 -13.999 98.324 -1.714 1.00 28.49 C ATOM 1275 H ALA A 136 -13.652 98.210 0.814 1.00 0.00 H ATOM 1276 N TYR A 137 -10.807 98.367 -1.195 1.00 25.05 N ATOM 1277 CA TYR A 137 -9.486 98.593 -1.775 1.00 24.42 C ATOM 1278 C TYR A 137 -8.501 97.483 -1.465 1.00 25.23 C ATOM 1279 O TYR A 137 -7.385 97.504 -1.993 1.00 26.68 O ATOM 1280 CB TYR A 137 -8.967 99.951 -1.310 1.00 27.00 C ATOM 1281 CG TYR A 137 -9.791 101.066 -1.933 1.00 25.50 C ATOM 1282 CD1 TYR A 137 -9.515 101.519 -3.224 1.00 27.10 C ATOM 1283 CD2 TYR A 137 -10.867 101.629 -1.251 1.00 25.51 C ATOM 1284 CE1 TYR A 137 -10.290 102.530 -3.816 1.00 27.57 C ATOM 1285 CE2 TYR A 137 -11.642 102.629 -1.825 1.00 24.78 C ATOM 1286 CZ TYR A 137 -11.347 103.078 -3.098 1.00 28.11 C ATOM 1287 OH TYR A 137 -12.132 104.069 -3.645 1.00 28.45 O ATOM 1288 HH TYR A 137 -11.803 104.285 -4.553 1.00 0.00 H ATOM 1289 H TYR A 137 -11.097 98.913 -0.359 1.00 0.00 H ATOM 1290 N LEU A 138 -8.898 96.472 -0.679 1.00 24.56 N ATOM 1291 CA LEU A 138 -8.056 95.287 -0.599 1.00 25.10 C ATOM 1292 C LEU A 138 -7.939 94.617 -1.965 1.00 27.90 C ATOM 1293 O LEU A 138 -6.879 94.079 -2.301 1.00 30.01 O ATOM 1294 CB LEU A 138 -8.627 94.299 0.429 1.00 25.68 C ATOM 1295 CG LEU A 138 -8.549 94.707 1.898 1.00 24.29 C ATOM 1296 CD1 LEU A 138 -9.420 93.764 2.755 1.00 25.98 C ATOM 1297 CD2 LEU A 138 -7.118 94.697 2.428 1.00 25.95 C ATOM 1298 H LEU A 138 -9.785 96.533 -0.140 1.00 0.00 H ATOM 1299 N VAL A 139 -9.007 94.649 -2.765 1.00 26.81 N ATOM 1300 CA VAL A 139 -9.016 93.975 -4.063 1.00 27.04 C ATOM 1301 C VAL A 139 -9.139 94.928 -5.243 1.00 26.41 C ATOM 1302 O VAL A 139 -8.928 94.493 -6.381 1.00 27.77 O ATOM 1303 CB VAL A 139 -10.137 92.911 -4.144 1.00 26.88 C ATOM 1304 CG1 VAL A 139 -9.953 91.846 -3.058 1.00 27.91 C ATOM 1305 CG2 VAL A 139 -11.528 93.550 -4.025 1.00 28.22 C ATOM 1306 H VAL A 139 -9.855 95.167 -2.457 1.00 0.00 H ATOM 1307 N ALA A 140 -9.494 96.197 -5.028 1.00 28.19 N ATOM 1308 CA ALA A 140 -9.797 97.118 -6.118 1.00 28.08 C ATOM 1309 C ALA A 140 -8.770 98.233 -6.200 1.00 26.15 C ATOM 1310 O ALA A 140 -8.318 98.744 -5.171 1.00 27.82 O ATOM 1311 CB ALA A 140 -11.194 97.733 -5.933 1.00 29.31 C ATOM 1312 H ALA A 140 -9.557 96.541 -4.049 1.00 0.00 H ATOM 1313 N GLU A 141 -8.413 98.623 -7.426 1.00 27.98 N ATOM 1314 CA GLU A 141 -7.607 99.822 -7.618 1.00 27.26 C ATOM 1315 C GLU A 141 -8.471 101.067 -7.716 1.00 29.55 C ATOM 1316 O GLU A 141 -7.971 102.176 -7.496 1.00 32.90 O ATOM 1317 CB GLU A 141 -6.721 99.696 -8.868 1.00 31.19 C ATOM 1318 CG GLU A 141 -7.472 99.516 -10.163 1.00 36.67 C ATOM 1319 CD GLU A 141 -6.545 99.280 -11.353 1.00 54.14 C ATOM 1320 OE1 GLU A 141 -5.309 99.272 -11.160 1.00 47.02 O ATOM 1321 OE2 GLU A 141 -7.067 99.108 -12.479 1.00 59.80 O ATOM 1322 H GLU A 141 -8.713 98.066 -8.252 1.00 0.00 H ATOM 1323 N LYS A 142 -9.751 100.899 -8.032 1.00 26.27 N ATOM 1324 CA LYS A 142 -10.673 102.013 -8.186 1.00 26.63 C ATOM 1325 C LYS A 142 -12.056 101.499 -7.849 1.00 26.46 C ATOM 1326 O LYS A 142 -12.402 100.357 -8.185 1.00 28.20 O ATOM 1327 CB LYS A 142 -10.643 102.582 -9.606 1.00 29.90 C ATOM 1328 CG LYS A 142 -11.708 103.643 -9.878 1.00 29.97 C ATOM 1329 CD LYS A 142 -11.676 104.115 -11.345 1.00 36.99 C ATOM 1330 CE LYS A 142 -13.032 104.668 -11.750 1.00 46.67 C ATOM 1331 NZ LYS A 142 -13.112 106.154 -11.703 1.00 62.82 N ATOM 1332 HZ1 LYS A 142 -12.921 106.480 -10.734 1.00 0.00 H ATOM 1333 HZ2 LYS A 142 -12.406 106.559 -12.351 1.00 0.00 H ATOM 1334 HZ3 LYS A 142 -14.064 106.458 -11.991 1.00 0.00 H ATOM 1335 H LYS A 142 -10.107 99.932 -8.175 1.00 0.00 H ATOM 1336 N VAL A 143 -12.834 102.326 -7.158 1.00 24.69 N ATOM 1337 CA VAL A 143 -14.172 101.954 -6.727 1.00 23.73 C ATOM 1338 C VAL A 143 -15.129 103.043 -7.180 1.00 27.95 C ATOM 1339 O VAL A 143 -14.878 104.233 -6.948 1.00 27.00 O ATOM 1340 CB VAL A 143 -14.259 101.771 -5.198 1.00 26.95 C ATOM 1341 CG1 VAL A 143 -15.697 101.501 -4.775 1.00 30.25 C ATOM 1342 CG2 VAL A 143 -13.344 100.629 -4.749 1.00 24.18 C ATOM 1343 H VAL A 143 -12.473 103.271 -6.917 1.00 0.00 H ATOM 1344 N VAL A 144 -16.229 102.629 -7.803 1.00 27.00 N ATOM 1345 CA VAL A 144 -17.304 103.520 -8.216 1.00 27.04 C ATOM 1346 C VAL A 144 -18.538 103.139 -7.414 1.00 28.17 C ATOM 1347 O VAL A 144 -18.863 101.950 -7.288 1.00 29.31 O ATOM 1348 CB VAL A 144 -17.570 103.419 -9.730 1.00 25.97 C ATOM 1349 CG1 VAL A 144 -18.783 104.280 -10.141 1.00 28.83 C ATOM 1350 CG2 VAL A 144 -16.346 103.871 -10.509 1.00 28.70 C ATOM 1351 H VAL A 144 -16.326 101.614 -8.006 1.00 0.00 H ATOM 1352 N VAL A 145 -19.210 104.142 -6.858 1.00 24.21 N ATOM 1353 CA VAL A 145 -20.441 103.958 -6.101 1.00 24.52 C ATOM 1354 C VAL A 145 -21.536 104.750 -6.800 1.00 30.42 C ATOM 1355 O VAL A 145 -21.463 105.984 -6.887 1.00 31.17 O ATOM 1356 CB VAL A 145 -20.296 104.392 -4.634 1.00 25.84 C ATOM 1357 CG1 VAL A 145 -21.646 104.251 -3.893 1.00 29.61 C ATOM 1358 CG2 VAL A 145 -19.235 103.549 -3.911 1.00 26.44 C ATOM 1359 H VAL A 145 -18.838 105.107 -6.969 1.00 0.00 H ATOM 1360 N ILE A 146 -22.533 104.036 -7.318 1.00 26.22 N ATOM 1361 CA ILE A 146 -23.727 104.628 -7.922 1.00 25.29 C ATOM 1362 C ILE A 146 -24.858 104.487 -6.920 1.00 29.32 C ATOM 1363 O ILE A 146 -25.082 103.394 -6.388 1.00 30.31 O ATOM 1364 CB ILE A 146 -24.102 103.912 -9.235 1.00 29.75 C ATOM 1365 CG1 ILE A 146 -22.903 103.780 -10.178 1.00 42.12 C ATOM 1366 CG2 ILE A 146 -25.327 104.580 -9.884 1.00 31.43 C ATOM 1367 CD1 ILE A 146 -22.509 105.037 -10.861 1.00 40.49 C ATOM 1368 H ILE A 146 -22.459 102.999 -7.292 1.00 0.00 H ATOM 1369 N THR A 147 -25.590 105.565 -6.657 1.00 27.66 N ATOM 1370 CA THR A 147 -26.606 105.409 -5.628 1.00 27.02 C ATOM 1371 C THR A 147 -27.837 106.236 -5.957 1.00 31.62 C ATOM 1372 O THR A 147 -27.754 107.265 -6.621 1.00 29.09 O ATOM 1373 CB THR A 147 -26.033 105.776 -4.249 1.00 28.84 C ATOM 1374 OG1 THR A 147 -26.946 105.367 -3.224 1.00 30.53 O ATOM 1375 CG2 THR A 147 -25.754 107.276 -4.141 1.00 29.04 C ATOM 1376 HG1 THR A 147 -27.080 104.387 -3.275 1.00 0.00 H ATOM 1377 H THR A 147 -25.445 106.465 -7.157 1.00 0.00 H ATOM 1378 N LYS A 148 -28.989 105.764 -5.478 1.00 31.21 N ATOM 1379 CA LYS A 148 -30.271 106.405 -5.763 1.00 30.08 C ATOM 1380 C LYS A 148 -31.152 106.248 -4.534 1.00 31.51 C ATOM 1381 O LYS A 148 -31.542 105.130 -4.186 1.00 30.86 O ATOM 1382 CB LYS A 148 -30.933 105.783 -6.987 1.00 29.87 C ATOM 1383 CG LYS A 148 -32.356 106.299 -7.274 1.00 31.67 C ATOM 1384 CD LYS A 148 -32.348 107.782 -7.680 1.00 35.88 C ATOM 1385 CE LYS A 148 -33.749 108.258 -8.085 1.00 39.09 C ATOM 1386 NZ LYS A 148 -34.649 108.439 -6.895 1.00 36.23 N ATOM 1387 HZ1 LYS A 148 -34.746 107.533 -6.394 1.00 0.00 H ATOM 1388 HZ2 LYS A 148 -34.237 109.148 -6.255 1.00 0.00 H ATOM 1389 HZ3 LYS A 148 -35.585 108.761 -7.215 1.00 0.00 H ATOM 1390 H LYS A 148 -28.974 104.912 -4.882 1.00 0.00 H ATOM 1391 N HIS A 149 -31.482 107.366 -3.912 1.00 29.70 N ATOM 1392 CA HIS A 149 -32.392 107.438 -2.783 1.00 28.86 C ATOM 1393 C HIS A 149 -33.711 108.020 -3.273 1.00 35.45 C ATOM 1394 O HIS A 149 -33.732 108.832 -4.202 1.00 37.10 O ATOM 1395 CB HIS A 149 -31.772 108.316 -1.689 1.00 32.76 C ATOM 1396 CG HIS A 149 -32.515 108.329 -0.390 1.00 33.53 C ATOM 1397 ND1 HIS A 149 -33.669 109.056 -0.197 1.00 35.30 N ATOM 1398 CD2 HIS A 149 -32.229 107.752 0.803 1.00 32.50 C ATOM 1399 CE1 HIS A 149 -34.080 108.904 1.050 1.00 39.02 C ATOM 1400 NE2 HIS A 149 -33.223 108.117 1.679 1.00 34.54 N ATOM 1401 H HIS A 149 -31.062 108.254 -4.254 1.00 0.00 H ATOM 1402 N ASN A 150 -34.816 107.592 -2.652 1.00 34.39 N ATOM 1403 CA ASN A 150 -36.130 108.090 -3.064 1.00 36.23 C ATOM 1404 C ASN A 150 -36.205 109.614 -3.071 1.00 42.41 C ATOM 1405 O ASN A 150 -36.958 110.193 -3.866 1.00 43.87 O ATOM 1406 CB ASN A 150 -37.228 107.538 -2.147 1.00 41.06 C ATOM 1407 CG ASN A 150 -37.625 106.121 -2.503 1.00 44.23 C ATOM 1408 OD1 ASN A 150 -37.469 105.693 -3.641 1.00 42.05 O ATOM 1409 ND2 ASN A 150 -38.134 105.380 -1.521 1.00 41.14 N ATOM 1410 HD22 ASN A 150 -38.248 105.785 -0.570 1.00 0.00 H ATOM 1411 HD21 ASN A 150 -38.417 104.396 -1.705 1.00 0.00 H ATOM 1412 H ASN A 150 -34.742 106.904 -1.875 1.00 0.00 H ATOM 1413 N ASP A 151 -35.444 110.274 -2.203 1.00 41.02 N ATOM 1414 CA ASP A 151 -35.523 111.716 -2.009 1.00 44.19 C ATOM 1415 C ASP A 151 -34.565 112.516 -2.890 1.00 42.58 C ATOM 1416 O ASP A 151 -34.498 113.742 -2.748 1.00 43.74 O ATOM 1417 CB ASP A 151 -35.258 112.060 -0.539 1.00 45.81 C ATOM 1418 CG ASP A 151 -36.384 111.622 0.373 1.00 52.33 C ATOM 1419 OD1 ASP A 151 -37.507 111.430 -0.130 1.00 54.80 O ATOM 1420 OD2 ASP A 151 -36.153 111.503 1.596 1.00 53.29 O ATOM 1421 H ASP A 151 -34.759 109.735 -1.635 1.00 0.00 H ATOM 1422 N ASP A 152 -33.826 111.877 -3.792 1.00 39.29 N ATOM 1423 CA ASP A 152 -32.827 112.603 -4.563 1.00 40.76 C ATOM 1424 C ASP A 152 -32.694 111.935 -5.923 1.00 38.10 C ATOM 1425 O ASP A 152 -33.400 110.971 -6.232 1.00 39.93 O ATOM 1426 CB ASP A 152 -31.491 112.652 -3.804 1.00 38.15 C ATOM 1427 CG ASP A 152 -30.648 113.872 -4.159 1.00 40.37 C ATOM 1428 OD1 ASP A 152 -30.968 114.568 -5.155 1.00 42.73 O ATOM 1429 OD2 ASP A 152 -29.667 114.142 -3.428 1.00 38.69 O ATOM 1430 H ASP A 152 -33.962 110.858 -3.947 1.00 0.00 H ATOM 1431 N GLU A 153 -31.800 112.465 -6.749 1.00 36.36 N ATOM 1432 CA GLU A 153 -31.537 111.871 -8.050 1.00 37.62 C ATOM 1433 C GLU A 153 -30.321 110.948 -7.954 1.00 37.10 C ATOM 1434 O GLU A 153 -29.661 110.844 -6.916 1.00 36.05 O ATOM 1435 CB GLU A 153 -31.359 112.953 -9.121 1.00 44.87 C ATOM 1436 CG GLU A 153 -30.080 113.759 -9.062 1.00 52.50 C ATOM 1437 CD GLU A 153 -30.102 114.945 -10.017 1.00 64.15 C ATOM 1438 OE1 GLU A 153 -30.705 115.985 -9.672 1.00 70.44 O ATOM 1439 OE2 GLU A 153 -29.530 114.834 -11.123 1.00 60.61 O ATOM 1440 H GLU A 153 -31.280 113.318 -6.461 1.00 0.00 H ATOM 1441 N GLN A 154 -30.045 110.235 -9.045 1.00 34.92 N ATOM 1442 CA GLN A 154 -28.973 109.245 -9.051 1.00 31.21 C ATOM 1443 C GLN A 154 -27.618 109.940 -9.159 1.00 32.05 C ATOM 1444 O GLN A 154 -27.452 110.857 -9.969 1.00 32.02 O ATOM 1445 CB GLN A 154 -29.179 108.266 -10.211 1.00 33.43 C ATOM 1446 CG GLN A 154 -28.228 107.076 -10.213 1.00 31.86 C ATOM 1447 CD GLN A 154 -28.736 105.935 -11.095 1.00 37.96 C ATOM 1448 OE1 GLN A 154 -29.883 105.493 -10.967 1.00 36.40 O ATOM 1449 NE2 GLN A 154 -27.890 105.475 -12.009 1.00 38.47 N ATOM 1450 HE22 GLN A 154 -26.933 105.877 -12.081 1.00 0.00 H ATOM 1451 HE21 GLN A 154 -28.184 104.713 -12.653 1.00 0.00 H ATOM 1452 H GLN A 154 -30.604 110.387 -9.909 1.00 0.00 H ATOM 1453 N TYR A 155 -26.652 109.507 -8.334 1.00 31.50 N ATOM 1454 CA TYR A 155 -25.317 110.098 -8.288 1.00 31.48 C ATOM 1455 C TYR A 155 -24.239 109.030 -8.380 1.00 30.04 C ATOM 1456 O TYR A 155 -24.433 107.890 -7.956 1.00 31.81 O ATOM 1457 CB TYR A 155 -25.086 110.908 -6.999 1.00 28.71 C ATOM 1458 CG TYR A 155 -25.693 112.271 -7.119 1.00 34.62 C ATOM 1459 CD1 TYR A 155 -24.985 113.302 -7.707 1.00 35.26 C ATOM 1460 CD2 TYR A 155 -26.994 112.513 -6.701 1.00 35.18 C ATOM 1461 CE1 TYR A 155 -25.552 114.562 -7.857 1.00 39.12 C ATOM 1462 CE2 TYR A 155 -27.565 113.755 -6.844 1.00 39.05 C ATOM 1463 CZ TYR A 155 -26.846 114.775 -7.424 1.00 42.47 C ATOM 1464 OH TYR A 155 -27.417 116.019 -7.559 1.00 47.76 O ATOM 1465 HH TYR A 155 -26.771 116.632 -7.992 1.00 0.00 H ATOM 1466 H TYR A 155 -26.864 108.713 -7.697 1.00 0.00 H ATOM 1467 N ALA A 156 -23.081 109.428 -8.904 1.00 30.12 N ATOM 1468 CA ALA A 156 -21.928 108.543 -9.033 1.00 28.86 C ATOM 1469 C ALA A 156 -20.744 109.123 -8.273 1.00 29.75 C ATOM 1470 O ALA A 156 -20.366 110.277 -8.495 1.00 31.65 O ATOM 1471 CB ALA A 156 -21.536 108.344 -10.502 1.00 30.11 C ATOM 1472 H ALA A 156 -22.995 110.410 -9.235 1.00 0.00 H ATOM 1473 N TRP A 157 -20.149 108.307 -7.404 1.00 28.24 N ATOM 1474 CA TRP A 157 -18.964 108.649 -6.627 1.00 24.42 C ATOM 1475 C TRP A 157 -17.836 107.750 -7.106 1.00 25.66 C ATOM 1476 O TRP A 157 -18.080 106.589 -7.449 1.00 28.47 O ATOM 1477 CB TRP A 157 -19.254 108.394 -5.144 1.00 26.46 C ATOM 1478 CG TRP A 157 -18.159 108.536 -4.128 1.00 27.57 C ATOM 1479 CD1 TRP A 157 -18.023 109.547 -3.228 1.00 27.18 C ATOM 1480 CD2 TRP A 157 -17.134 107.579 -3.808 1.00 24.38 C ATOM 1481 NE1 TRP A 157 -16.955 109.317 -2.407 1.00 25.92 N ATOM 1482 CE2 TRP A 157 -16.388 108.114 -2.736 1.00 27.41 C ATOM 1483 CE3 TRP A 157 -16.765 106.330 -4.335 1.00 27.69 C ATOM 1484 CZ2 TRP A 157 -15.299 107.455 -2.183 1.00 25.36 C ATOM 1485 CZ3 TRP A 157 -15.673 105.676 -3.786 1.00 27.33 C ATOM 1486 CH2 TRP A 157 -14.962 106.235 -2.714 1.00 24.28 C ATOM 1487 HE1 TRP A 157 -16.625 109.953 -1.653 1.00 0.00 H ATOM 1488 H TRP A 157 -20.558 107.360 -7.271 1.00 0.00 H ATOM 1489 N GLU A 158 -16.607 108.264 -7.144 1.00 25.18 N ATOM 1490 CA GLU A 158 -15.499 107.376 -7.494 1.00 25.33 C ATOM 1491 C GLU A 158 -14.208 107.849 -6.845 1.00 29.57 C ATOM 1492 O GLU A 158 -13.975 109.049 -6.678 1.00 28.86 O ATOM 1493 CB GLU A 158 -15.313 107.259 -9.013 1.00 31.36 C ATOM 1494 CG GLU A 158 -14.886 108.526 -9.704 1.00 40.18 C ATOM 1495 CD GLU A 158 -13.385 108.772 -9.633 1.00 52.85 C ATOM 1496 OE1 GLU A 158 -12.631 107.790 -9.452 1.00 55.78 O ATOM 1497 OE2 GLU A 158 -12.963 109.946 -9.747 1.00 51.06 O ATOM 1498 H GLU A 158 -16.441 109.268 -6.931 1.00 0.00 H ATOM 1499 N SER A 159 -13.354 106.885 -6.502 1.00 25.70 N ATOM 1500 CA SER A 159 -12.029 107.214 -6.010 1.00 24.66 C ATOM 1501 C SER A 159 -11.063 106.088 -6.335 1.00 26.81 C ATOM 1502 O SER A 159 -11.414 104.908 -6.229 1.00 27.68 O ATOM 1503 CB SER A 159 -12.008 107.457 -4.495 1.00 24.66 C ATOM 1504 OG SER A 159 -10.682 107.804 -4.088 1.00 27.23 O ATOM 1505 HG SER A 159 -10.398 108.627 -4.559 1.00 0.00 H ATOM 1506 H SER A 159 -13.640 105.889 -6.588 1.00 0.00 H ATOM 1507 N SER A 160 -9.846 106.481 -6.715 1.00 28.77 N ATOM 1508 CA SER A 160 -8.722 105.567 -6.836 1.00 31.16 C ATOM 1509 C SER A 160 -7.757 105.710 -5.668 1.00 31.35 C ATOM 1510 O SER A 160 -6.570 105.389 -5.812 1.00 31.61 O ATOM 1511 CB SER A 160 -7.992 105.785 -8.166 1.00 33.93 C ATOM 1512 OG SER A 160 -8.864 105.557 -9.270 1.00 34.29 O ATOM 1513 HG SER A 160 -9.629 106.184 -9.220 1.00 0.00 H ATOM 1514 H SER A 160 -9.695 107.486 -6.934 1.00 0.00 H ATOM 1515 N ALA A 161 -8.247 106.203 -4.519 1.00 28.33 N ATOM 1516 CA ALA A 161 -7.486 106.254 -3.264 1.00 33.85 C ATOM 1517 C ALA A 161 -6.251 107.145 -3.365 1.00 38.89 C ATOM 1518 O ALA A 161 -5.250 106.909 -2.687 1.00 45.61 O ATOM 1519 CB ALA A 161 -7.085 104.851 -2.786 1.00 33.89 C ATOM 1520 H ALA A 161 -9.220 106.569 -4.518 1.00 0.00 H ATOM 1521 N GLY A 162 -6.318 108.199 -4.170 1.00 33.43 N ATOM 1522 CA GLY A 162 -5.182 109.095 -4.296 1.00 35.17 C ATOM 1523 C GLY A 162 -5.336 110.329 -3.429 1.00 34.03 C ATOM 1524 O GLY A 162 -4.618 111.325 -3.599 1.00 35.89 O ATOM 1525 H GLY A 162 -7.186 108.383 -4.712 1.00 0.00 H ATOM 1526 N GLY A 163 -6.268 110.264 -2.485 1.00 29.51 N ATOM 1527 CA GLY A 163 -6.524 111.367 -1.578 1.00 29.59 C ATOM 1528 C GLY A 163 -7.805 112.106 -1.864 1.00 29.83 C ATOM 1529 O GLY A 163 -8.246 112.894 -1.011 1.00 30.04 O ATOM 1530 H GLY A 163 -6.832 109.395 -2.393 1.00 0.00 H ATOM 1531 N SER A 164 -8.414 111.884 -3.030 1.00 29.02 N ATOM 1532 CA SER A 164 -9.611 112.614 -3.423 1.00 29.61 C ATOM 1533 C SER A 164 -10.631 111.663 -4.021 1.00 28.15 C ATOM 1534 O SER A 164 -10.321 110.522 -4.390 1.00 28.53 O ATOM 1535 CB SER A 164 -9.288 113.719 -4.440 1.00 37.35 C ATOM 1536 OG SER A 164 -8.546 114.762 -3.833 1.00 49.21 O ATOM 1537 HG SER A 164 -7.697 114.398 -3.477 1.00 0.00 H ATOM 1538 H SER A 164 -8.023 111.169 -3.676 1.00 0.00 H ATOM 1539 N PHE A 165 -11.858 112.164 -4.130 1.00 26.56 N ATOM 1540 CA PHE A 165 -12.933 111.466 -4.819 1.00 25.09 C ATOM 1541 C PHE A 165 -13.679 112.475 -5.685 1.00 28.06 C ATOM 1542 O PHE A 165 -13.534 113.686 -5.512 1.00 27.67 O ATOM 1543 CB PHE A 165 -13.881 110.781 -3.822 1.00 24.49 C ATOM 1544 CG PHE A 165 -14.563 111.737 -2.876 1.00 25.86 C ATOM 1545 CD1 PHE A 165 -13.946 112.110 -1.689 1.00 26.80 C ATOM 1546 CD2 PHE A 165 -15.830 112.238 -3.161 1.00 29.55 C ATOM 1547 CE1 PHE A 165 -14.564 112.976 -0.802 1.00 29.47 C ATOM 1548 CE2 PHE A 165 -16.468 113.109 -2.260 1.00 29.05 C ATOM 1549 CZ PHE A 165 -15.830 113.474 -1.089 1.00 28.33 C ATOM 1550 H PHE A 165 -12.057 113.092 -3.706 1.00 0.00 H ATOM 1551 N THR A 166 -14.470 111.974 -6.634 1.00 27.43 N ATOM 1552 CA THR A 166 -15.332 112.836 -7.432 1.00 26.85 C ATOM 1553 C THR A 166 -16.766 112.372 -7.262 1.00 31.23 C ATOM 1554 O THR A 166 -17.030 111.196 -6.994 1.00 29.14 O ATOM 1555 CB THR A 166 -14.974 112.852 -8.938 1.00 32.09 C ATOM 1556 OG1 THR A 166 -15.187 111.554 -9.499 1.00 35.09 O ATOM 1557 CG2 THR A 166 -13.505 113.283 -9.161 1.00 29.69 C ATOM 1558 HG1 THR A 166 -14.613 110.896 -9.032 1.00 0.00 H ATOM 1559 H THR A 166 -14.472 110.949 -6.808 1.00 0.00 H ATOM 1560 N VAL A 167 -17.691 113.317 -7.382 1.00 28.48 N ATOM 1561 CA VAL A 167 -19.117 113.030 -7.356 1.00 28.92 C ATOM 1562 C VAL A 167 -19.734 113.747 -8.547 1.00 33.38 C ATOM 1563 O VAL A 167 -19.383 114.899 -8.835 1.00 35.42 O ATOM 1564 CB VAL A 167 -19.768 113.481 -6.032 1.00 30.69 C ATOM 1565 CG1 VAL A 167 -21.269 113.278 -6.061 1.00 36.83 C ATOM 1566 CG2 VAL A 167 -19.165 112.737 -4.847 1.00 35.13 C ATOM 1567 H VAL A 167 -17.383 114.303 -7.499 1.00 0.00 H ATOM 1568 N ARG A 168 -20.625 113.060 -9.261 1.00 29.93 N ATOM 1569 CA ARG A 168 -21.303 113.662 -10.396 1.00 29.79 C ATOM 1570 C ARG A 168 -22.694 113.056 -10.496 1.00 32.04 C ATOM 1571 O ARG A 168 -22.925 111.925 -10.054 1.00 32.54 O ATOM 1572 CB ARG A 168 -20.522 113.447 -11.699 1.00 33.70 C ATOM 1573 CG ARG A 168 -20.503 112.004 -12.170 1.00 37.24 C ATOM 1574 CD ARG A 168 -19.403 111.794 -13.212 1.00 36.91 C ATOM 1575 NE ARG A 168 -18.098 111.653 -12.567 1.00 34.45 N ATOM 1576 CZ ARG A 168 -16.933 111.788 -13.188 1.00 44.78 C ATOM 1577 NH1 ARG A 168 -16.904 112.084 -14.485 1.00 41.65 N ATOM 1578 NH2 ARG A 168 -15.799 111.629 -12.510 1.00 40.86 N ATOM 1579 HE ARG A 168 -18.082 111.432 -11.551 1.00 0.00 H ATOM 1580 HH12 ARG A 168 -15.992 112.190 -14.974 1.00 0.00 H ATOM 1581 HH11 ARG A 168 -17.793 112.209 -15.010 1.00 0.00 H ATOM 1582 HH22 ARG A 168 -14.885 111.734 -12.994 1.00 0.00 H ATOM 1583 HH21 ARG A 168 -15.827 111.400 -11.496 1.00 0.00 H ATOM 1584 H ARG A 168 -20.839 112.076 -9.001 1.00 0.00 H ATOM 1585 N ALA A 169 -23.631 113.837 -11.020 1.00 34.51 N ATOM 1586 CA ALA A 169 -24.945 113.289 -11.318 1.00 37.16 C ATOM 1587 C ALA A 169 -24.791 112.163 -12.325 1.00 40.54 C ATOM 1588 O ALA A 169 -23.997 112.260 -13.262 1.00 38.86 O ATOM 1589 CB ALA A 169 -25.864 114.377 -11.877 1.00 37.05 C ATOM 1590 H ALA A 169 -23.426 114.837 -11.217 1.00 0.00 H ATOM 1591 N ASP A 170 -25.528 111.074 -12.122 1.00 41.19 N ATOM 1592 CA ASP A 170 -25.451 109.925 -13.020 1.00 41.60 C ATOM 1593 C ASP A 170 -26.719 109.875 -13.862 1.00 42.05 C ATOM 1594 O ASP A 170 -27.794 109.524 -13.363 1.00 46.16 O ATOM 1595 CB ASP A 170 -25.246 108.619 -12.257 1.00 40.37 C ATOM 1596 CG ASP A 170 -25.051 107.437 -13.189 1.00 50.85 C ATOM 1597 OD1 ASP A 170 -24.646 107.671 -14.347 1.00 62.27 O ATOM 1598 OD2 ASP A 170 -25.303 106.286 -12.777 1.00 45.78 O ATOM 1599 H ASP A 170 -26.173 111.040 -11.307 1.00 0.00 H ATOM 1600 N HIS A 171 -26.590 110.238 -15.134 1.00 51.49 N ATOM 1601 CA HIS A 171 -27.686 110.160 -16.087 1.00 59.21 C ATOM 1602 C HIS A 171 -27.688 108.843 -16.848 1.00 60.93 C ATOM 1603 O HIS A 171 -28.509 108.664 -17.756 1.00 65.62 O ATOM 1604 CB HIS A 171 -27.615 111.341 -17.059 1.00 62.12 C ATOM 1605 CG HIS A 171 -27.535 112.670 -16.375 1.00 67.49 C ATOM 1606 ND1 HIS A 171 -28.558 113.165 -15.593 1.00 66.26 N ATOM 1607 CD2 HIS A 171 -26.548 113.596 -16.333 1.00 69.39 C ATOM 1608 CE1 HIS A 171 -28.209 114.344 -15.110 1.00 65.30 C ATOM 1609 NE2 HIS A 171 -26.995 114.629 -15.545 1.00 70.37 N ATOM 1610 H HIS A 171 -25.668 110.592 -15.461 1.00 0.00 H ATOM 1611 N GLY A 172 -26.786 107.928 -16.499 1.00 59.51 N ATOM 1612 CA GLY A 172 -26.756 106.597 -17.069 1.00 61.34 C ATOM 1613 C GLY A 172 -27.914 105.735 -16.612 1.00 55.31 C ATOM 1614 O GLY A 172 -28.930 106.254 -16.137 1.00 57.95 O ATOM 1615 H GLY A 172 -26.072 108.180 -15.786 1.00 0.00 H ATOM 1616 N GLU A 173 -27.767 104.420 -16.737 1.00 53.64 N ATOM 1617 CA GLU A 173 -28.870 103.493 -16.506 1.00 52.27 C ATOM 1618 C GLU A 173 -29.447 103.661 -15.103 1.00 39.96 C ATOM 1619 O GLU A 173 -28.725 103.458 -14.116 1.00 41.93 O ATOM 1620 CB GLU A 173 -28.410 102.052 -16.703 1.00 59.29 C ATOM 1621 CG GLU A 173 -29.539 101.038 -16.588 1.00 63.96 C ATOM 1622 CD GLU A 173 -29.107 99.624 -16.938 1.00 76.45 C ATOM 1623 OE1 GLU A 173 -27.900 99.312 -16.822 1.00 78.85 O ATOM 1624 OE2 GLU A 173 -29.982 98.826 -17.339 1.00 82.32 O ATOM 1625 H GLU A 173 -26.837 104.040 -17.008 1.00 0.00 H ATOM 1626 N PRO A 174 -30.717 104.034 -14.972 1.00 45.53 N ATOM 1627 CA PRO A 174 -31.321 104.143 -13.638 1.00 44.96 C ATOM 1628 C PRO A 174 -31.301 102.814 -12.892 1.00 44.46 C ATOM 1629 O PRO A 174 -31.601 101.757 -13.450 1.00 41.60 O ATOM 1630 CB PRO A 174 -32.756 104.605 -13.931 1.00 46.94 C ATOM 1631 CG PRO A 174 -32.928 104.533 -15.415 1.00 53.36 C ATOM 1632 CD PRO A 174 -31.575 104.614 -16.018 1.00 49.99 C ATOM 1633 N ILE A 175 -30.940 102.875 -11.610 1.00 38.85 N ATOM 1634 CA ILE A 175 -31.020 101.692 -10.759 1.00 38.25 C ATOM 1635 C ILE A 175 -32.299 101.666 -9.936 1.00 40.93 C ATOM 1636 O ILE A 175 -32.539 100.695 -9.204 1.00 38.61 O ATOM 1637 CB ILE A 175 -29.771 101.556 -9.862 1.00 38.75 C ATOM 1638 CG1 ILE A 175 -29.722 102.645 -8.796 1.00 33.36 C ATOM 1639 CG2 ILE A 175 -28.502 101.586 -10.704 1.00 41.65 C ATOM 1640 CD1 ILE A 175 -28.583 102.444 -7.801 1.00 36.08 C ATOM 1641 H ILE A 175 -30.598 103.773 -11.213 1.00 0.00 H ATOM 1642 N GLY A 176 -33.145 102.692 -10.054 1.00 35.39 N ATOM 1643 CA GLY A 176 -34.440 102.696 -9.403 1.00 36.04 C ATOM 1644 C GLY A 176 -34.368 103.131 -7.957 1.00 39.56 C ATOM 1645 O GLY A 176 -34.918 104.169 -7.581 1.00 38.80 O ATOM 1646 H GLY A 176 -32.867 103.512 -10.630 1.00 0.00 H ATOM 1647 N ARG A 177 -33.704 102.320 -7.137 1.00 36.79 N ATOM 1648 CA ARG A 177 -33.395 102.652 -5.755 1.00 33.67 C ATOM 1649 C ARG A 177 -32.320 101.690 -5.294 1.00 33.43 C ATOM 1650 O ARG A 177 -32.391 100.496 -5.591 1.00 36.28 O ATOM 1651 CB ARG A 177 -34.617 102.535 -4.839 1.00 34.32 C ATOM 1652 CG ARG A 177 -34.357 103.001 -3.411 1.00 32.79 C ATOM 1653 CD ARG A 177 -35.455 102.460 -2.446 1.00 33.01 C ATOM 1654 NE ARG A 177 -35.426 101.000 -2.376 1.00 36.72 N ATOM 1655 CZ ARG A 177 -36.367 100.201 -2.878 1.00 42.73 C ATOM 1656 NH1 ARG A 177 -37.431 100.716 -3.484 1.00 43.14 N ATOM 1657 NH2 ARG A 177 -36.249 98.882 -2.768 1.00 40.34 N ATOM 1658 HE ARG A 177 -34.615 100.554 -1.902 1.00 0.00 H ATOM 1659 HH12 ARG A 177 -38.162 100.088 -3.874 1.00 0.00 H ATOM 1660 HH11 ARG A 177 -37.533 101.748 -3.569 1.00 0.00 H ATOM 1661 HH22 ARG A 177 -36.984 98.260 -3.160 1.00 0.00 H ATOM 1662 HH21 ARG A 177 -35.422 98.472 -2.290 1.00 0.00 H ATOM 1663 H ARG A 177 -33.389 101.399 -7.504 1.00 0.00 H ATOM 1664 N GLY A 178 -31.330 102.214 -4.576 1.00 31.57 N ATOM 1665 CA GLY A 178 -30.355 101.369 -3.930 1.00 28.32 C ATOM 1666 C GLY A 178 -28.973 101.877 -4.199 1.00 32.35 C ATOM 1667 O GLY A 178 -28.768 103.064 -4.475 1.00 30.04 O ATOM 1668 H GLY A 178 -31.258 103.247 -4.479 1.00 0.00 H ATOM 1669 N THR A 179 -28.016 100.962 -4.141 1.00 29.16 N ATOM 1670 CA THR A 179 -26.622 101.326 -4.300 1.00 29.91 C ATOM 1671 C THR A 179 -25.924 100.239 -5.101 1.00 30.95 C ATOM 1672 O THR A 179 -26.159 99.044 -4.891 1.00 32.45 O ATOM 1673 CB THR A 179 -25.966 101.536 -2.936 1.00 29.33 C ATOM 1674 OG1 THR A 179 -26.582 102.662 -2.300 1.00 30.28 O ATOM 1675 CG2 THR A 179 -24.474 101.799 -3.046 1.00 29.24 C ATOM 1676 HG1 THR A 179 -26.165 102.808 -1.414 1.00 0.00 H ATOM 1677 H THR A 179 -28.269 99.966 -3.979 1.00 0.00 H ATOM 1678 N LYS A 180 -25.087 100.676 -6.030 1.00 28.02 N ATOM 1679 CA LYS A 180 -24.297 99.808 -6.892 1.00 29.69 C ATOM 1680 C LYS A 180 -22.834 100.141 -6.632 1.00 29.55 C ATOM 1681 O LYS A 180 -22.434 101.301 -6.741 1.00 32.24 O ATOM 1682 CB LYS A 180 -24.660 100.024 -8.364 1.00 31.87 C ATOM 1683 CG LYS A 180 -23.876 99.152 -9.333 1.00 38.44 C ATOM 1684 CD LYS A 180 -24.044 99.617 -10.782 1.00 41.84 C ATOM 1685 CE LYS A 180 -25.471 99.658 -11.234 1.00 48.67 C ATOM 1686 NZ LYS A 180 -25.540 99.991 -12.701 1.00 53.32 N ATOM 1687 HZ1 LYS A 180 -25.103 100.920 -12.865 1.00 0.00 H ATOM 1688 HZ2 LYS A 180 -25.030 99.265 -13.244 1.00 0.00 H ATOM 1689 HZ3 LYS A 180 -26.535 100.017 -13.003 1.00 0.00 H ATOM 1690 H LYS A 180 -24.988 101.704 -6.151 1.00 0.00 H ATOM 1691 N VAL A 181 -22.045 99.143 -6.253 1.00 27.14 N ATOM 1692 CA VAL A 181 -20.621 99.336 -5.999 1.00 24.67 C ATOM 1693 C VAL A 181 -19.875 98.564 -7.080 1.00 28.37 C ATOM 1694 O VAL A 181 -20.072 97.351 -7.225 1.00 27.74 O ATOM 1695 CB VAL A 181 -20.220 98.869 -4.587 1.00 25.11 C ATOM 1696 CG1 VAL A 181 -18.721 99.102 -4.352 1.00 27.06 C ATOM 1697 CG2 VAL A 181 -21.044 99.593 -3.499 1.00 27.46 C ATOM 1698 H VAL A 181 -22.454 98.194 -6.133 1.00 0.00 H ATOM 1699 N ILE A 182 -19.032 99.261 -7.849 1.00 24.71 N ATOM 1700 CA ILE A 182 -18.268 98.665 -8.943 1.00 25.41 C ATOM 1701 C ILE A 182 -16.802 98.659 -8.545 1.00 29.29 C ATOM 1702 O ILE A 182 -16.187 99.721 -8.383 1.00 27.55 O ATOM 1703 CB ILE A 182 -18.473 99.426 -10.261 1.00 29.74 C ATOM 1704 CG1 ILE A 182 -19.968 99.562 -10.544 1.00 32.95 C ATOM 1705 CG2 ILE A 182 -17.790 98.697 -11.425 1.00 30.90 C ATOM 1706 CD1 ILE A 182 -20.273 100.458 -11.705 1.00 36.24 C ATOM 1707 H ILE A 182 -18.914 100.277 -7.659 1.00 0.00 H ATOM 1708 N LEU A 183 -16.237 97.464 -8.397 1.00 27.48 N ATOM 1709 CA LEU A 183 -14.845 97.299 -8.012 1.00 27.38 C ATOM 1710 C LEU A 183 -14.040 97.037 -9.273 1.00 33.03 C ATOM 1711 O LEU A 183 -14.256 96.033 -9.961 1.00 29.10 O ATOM 1712 CB LEU A 183 -14.683 96.136 -7.027 1.00 27.35 C ATOM 1713 CG LEU A 183 -15.653 96.197 -5.847 1.00 34.13 C ATOM 1714 CD1 LEU A 183 -15.479 94.967 -4.966 1.00 38.94 C ATOM 1715 CD2 LEU A 183 -15.397 97.452 -5.056 1.00 31.60 C ATOM 1716 H LEU A 183 -16.814 96.615 -8.563 1.00 0.00 H ATOM 1717 N HIS A 184 -13.113 97.934 -9.573 1.00 28.22 N ATOM 1718 CA HIS A 184 -12.184 97.740 -10.670 1.00 28.89 C ATOM 1719 C HIS A 184 -10.991 96.993 -10.095 1.00 29.47 C ATOM 1720 O HIS A 184 -10.215 97.559 -9.327 1.00 29.01 O ATOM 1721 CB HIS A 184 -11.797 99.094 -11.263 1.00 29.54 C ATOM 1722 CG HIS A 184 -12.927 99.757 -11.985 1.00 30.35 C ATOM 1723 ND1 HIS A 184 -13.032 99.747 -13.358 1.00 34.33 N ATOM 1724 CD2 HIS A 184 -14.022 100.411 -11.526 1.00 33.41 C ATOM 1725 CE1 HIS A 184 -14.135 100.380 -13.717 1.00 41.68 C ATOM 1726 NE2 HIS A 184 -14.755 100.792 -12.626 1.00 39.21 N ATOM 1727 H HIS A 184 -13.049 98.803 -9.005 1.00 0.00 H ATOM 1728 N LEU A 185 -10.877 95.704 -10.411 1.00 28.97 N ATOM 1729 CA LEU A 185 -10.020 94.845 -9.609 1.00 27.58 C ATOM 1730 C LEU A 185 -8.549 95.025 -9.945 1.00 29.64 C ATOM 1731 O LEU A 185 -8.171 95.281 -11.090 1.00 30.87 O ATOM 1732 CB LEU A 185 -10.387 93.369 -9.790 1.00 27.18 C ATOM 1733 CG LEU A 185 -11.781 92.998 -9.291 1.00 28.67 C ATOM 1734 CD1 LEU A 185 -11.955 91.512 -9.526 1.00 35.93 C ATOM 1735 CD2 LEU A 185 -11.973 93.356 -7.823 1.00 31.15 C ATOM 1736 H LEU A 185 -11.396 95.315 -11.224 1.00 0.00 H ATOM 1737 N LYS A 186 -7.716 94.885 -8.912 1.00 27.74 N ATOM 1738 CA LYS A 186 -6.279 94.743 -9.115 1.00 29.34 C ATOM 1739 C LYS A 186 -5.970 93.529 -9.978 1.00 30.85 C ATOM 1740 O LYS A 186 -6.673 92.517 -9.935 1.00 34.25 O ATOM 1741 CB LYS A 186 -5.579 94.606 -7.767 1.00 29.61 C ATOM 1742 CG LYS A 186 -5.747 95.823 -6.854 1.00 28.49 C ATOM 1743 CD LYS A 186 -5.380 95.450 -5.434 1.00 27.87 C ATOM 1744 CE LYS A 186 -5.393 96.639 -4.478 1.00 29.10 C ATOM 1745 NZ LYS A 186 -4.885 96.150 -3.155 1.00 29.67 N ATOM 1746 HZ1 LYS A 186 -5.505 95.392 -2.805 1.00 0.00 H ATOM 1747 HZ2 LYS A 186 -3.919 95.783 -3.270 1.00 0.00 H ATOM 1748 HZ3 LYS A 186 -4.880 96.937 -2.475 1.00 0.00 H ATOM 1749 H LYS A 186 -8.098 94.877 -7.945 1.00 0.00 H ATOM 1750 N GLU A 187 -4.864 93.612 -10.730 1.00 32.38 N ATOM 1751 CA GLU A 187 -4.507 92.507 -11.617 1.00 36.54 C ATOM 1752 C GLU A 187 -4.261 91.215 -10.840 1.00 43.13 C ATOM 1753 O GLU A 187 -4.553 90.122 -11.343 1.00 46.11 O ATOM 1754 CB GLU A 187 -3.280 92.888 -12.454 1.00 38.89 C ATOM 1755 CG GLU A 187 -3.142 92.049 -13.719 1.00 37.43 C ATOM 1756 CD GLU A 187 -2.051 92.544 -14.647 1.00 36.58 C ATOM 1757 OE1 GLU A 187 -0.880 92.599 -14.217 1.00 36.29 O ATOM 1758 OE2 GLU A 187 -2.366 92.878 -15.809 1.00 36.57 O ATOM 1759 H GLU A 187 -4.262 94.459 -10.683 1.00 0.00 H ATOM 1760 N ASP A 188 -3.760 91.316 -9.607 1.00 37.03 N ATOM 1761 CA ASP A 188 -3.464 90.135 -8.802 1.00 39.09 C ATOM 1762 C ASP A 188 -4.696 89.560 -8.113 1.00 37.05 C ATOM 1763 O ASP A 188 -4.601 88.493 -7.500 1.00 37.87 O ATOM 1764 CB ASP A 188 -2.390 90.466 -7.750 1.00 46.58 C ATOM 1765 CG ASP A 188 -2.779 91.644 -6.841 1.00 57.91 C ATOM 1766 OD1 ASP A 188 -2.662 92.818 -7.266 1.00 61.72 O ATOM 1767 OD2 ASP A 188 -3.172 91.405 -5.681 1.00 68.76 O ATOM 1768 H ASP A 188 -3.576 92.259 -9.210 1.00 0.00 H ATOM 1769 N GLN A 189 -5.850 90.223 -8.216 1.00 35.05 N ATOM 1770 CA GLN A 189 -7.043 89.817 -7.473 1.00 37.63 C ATOM 1771 C GLN A 189 -8.167 89.356 -8.386 1.00 37.50 C ATOM 1772 O GLN A 189 -9.335 89.404 -7.992 1.00 35.14 O ATOM 1773 CB GLN A 189 -7.528 90.959 -6.587 1.00 33.11 C ATOM 1774 CG GLN A 189 -6.502 91.398 -5.567 1.00 34.30 C ATOM 1775 CD GLN A 189 -6.155 90.286 -4.598 1.00 38.58 C ATOM 1776 OE1 GLN A 189 -7.029 89.535 -4.158 1.00 38.13 O ATOM 1777 NE2 GLN A 189 -4.881 90.174 -4.259 1.00 38.64 N ATOM 1778 HE22 GLN A 189 -4.178 90.830 -4.655 1.00 0.00 H ATOM 1779 HE21 GLN A 189 -4.583 89.430 -3.596 1.00 0.00 H ATOM 1780 H GLN A 189 -5.902 91.052 -8.842 1.00 0.00 H ATOM 1781 N THR A 190 -7.843 88.877 -9.584 1.00 38.35 N ATOM 1782 CA THR A 190 -8.899 88.533 -10.521 1.00 46.05 C ATOM 1783 C THR A 190 -9.566 87.202 -10.208 1.00 41.72 C ATOM 1784 O THR A 190 -10.480 86.811 -10.938 1.00 41.30 O ATOM 1785 CB THR A 190 -8.356 88.527 -11.946 1.00 47.74 C ATOM 1786 OG1 THR A 190 -7.187 87.708 -12.007 1.00 49.00 O ATOM 1787 CG2 THR A 190 -8.013 89.947 -12.370 1.00 50.59 C ATOM 1788 HG1 THR A 190 -6.836 87.705 -12.933 1.00 0.00 H ATOM 1789 H THR A 190 -6.845 88.750 -9.847 1.00 0.00 H ATOM 1790 N GLU A 191 -9.155 86.511 -9.137 1.00 36.94 N ATOM 1791 CA GLU A 191 -9.883 85.320 -8.704 1.00 41.52 C ATOM 1792 C GLU A 191 -11.330 85.649 -8.369 1.00 34.82 C ATOM 1793 O GLU A 191 -12.206 84.784 -8.489 1.00 38.20 O ATOM 1794 CB GLU A 191 -9.194 84.680 -7.493 1.00 41.16 C ATOM 1795 CG GLU A 191 -9.336 85.479 -6.179 1.00 38.45 C ATOM 1796 CD GLU A 191 -8.408 84.969 -5.092 1.00 48.77 C ATOM 1797 OE1 GLU A 191 -7.186 85.196 -5.204 1.00 47.94 O ATOM 1798 OE2 GLU A 191 -8.888 84.314 -4.141 1.00 43.70 O ATOM 1799 H GLU A 191 -8.314 86.823 -8.611 1.00 0.00 H ATOM 1800 N TYR A 192 -11.606 86.891 -7.976 1.00 35.37 N ATOM 1801 CA TYR A 192 -12.963 87.278 -7.609 1.00 37.75 C ATOM 1802 C TYR A 192 -13.823 87.604 -8.825 1.00 45.96 C ATOM 1803 O TYR A 192 -14.963 88.050 -8.657 1.00 47.48 O ATOM 1804 CB TYR A 192 -12.917 88.448 -6.610 1.00 33.14 C ATOM 1805 CG TYR A 192 -12.156 88.035 -5.371 1.00 34.69 C ATOM 1806 CD1 TYR A 192 -12.687 87.106 -4.492 1.00 37.44 C ATOM 1807 CD2 TYR A 192 -10.883 88.530 -5.112 1.00 32.44 C ATOM 1808 CE1 TYR A 192 -11.982 86.686 -3.380 1.00 34.73 C ATOM 1809 CE2 TYR A 192 -10.166 88.118 -4.003 1.00 33.21 C ATOM 1810 CZ TYR A 192 -10.721 87.199 -3.136 1.00 36.40 C ATOM 1811 OH TYR A 192 -10.009 86.787 -2.032 1.00 39.33 O ATOM 1812 HH TYR A 192 -9.163 86.364 -2.325 1.00 0.00 H ATOM 1813 H TYR A 192 -10.842 87.595 -7.930 1.00 0.00 H ATOM 1814 N LEU A 193 -13.302 87.380 -10.031 1.00 41.15 N ATOM 1815 CA LEU A 193 -14.086 87.363 -11.259 1.00 44.83 C ATOM 1816 C LEU A 193 -14.649 85.981 -11.582 1.00 47.37 C ATOM 1817 O LEU A 193 -15.346 85.831 -12.593 1.00 48.30 O ATOM 1818 CB LEU A 193 -13.231 87.841 -12.440 1.00 46.12 C ATOM 1819 CG LEU A 193 -12.718 89.282 -12.416 1.00 48.81 C ATOM 1820 CD1 LEU A 193 -11.786 89.524 -13.581 1.00 52.97 C ATOM 1821 CD2 LEU A 193 -13.877 90.266 -12.432 1.00 52.05 C ATOM 1822 H LEU A 193 -12.279 87.208 -10.099 1.00 0.00 H ATOM 1823 N GLU A 194 -14.349 84.971 -10.769 1.00 43.67 N ATOM 1824 CA GLU A 194 -14.750 83.595 -11.038 1.00 46.51 C ATOM 1825 C GLU A 194 -15.902 83.201 -10.124 1.00 51.82 C ATOM 1826 O GLU A 194 -15.925 83.545 -8.941 1.00 47.48 O ATOM 1827 CB GLU A 194 -13.576 82.637 -10.838 1.00 50.63 C ATOM 1828 CG GLU A 194 -12.367 82.927 -11.717 1.00 60.29 C ATOM 1829 CD GLU A 194 -11.090 82.318 -11.163 1.00 73.66 C ATOM 1830 OE1 GLU A 194 -11.165 81.607 -10.137 1.00 78.29 O ATOM 1831 OE2 GLU A 194 -10.010 82.551 -11.750 1.00 77.24 O ATOM 1832 H GLU A 194 -13.806 85.172 -9.905 1.00 0.00 H ATOM 1833 N GLU A 195 -16.858 82.454 -10.677 1.00 63.98 N ATOM 1834 CA GLU A 195 -18.092 82.214 -9.937 1.00 67.53 C ATOM 1835 C GLU A 195 -17.887 81.235 -8.785 1.00 63.04 C ATOM 1836 O GLU A 195 -18.477 81.410 -7.713 1.00 66.33 O ATOM 1837 CB GLU A 195 -19.188 81.728 -10.886 1.00 80.45 C ATOM 1838 CG GLU A 195 -18.905 80.405 -11.564 1.00 91.99 C ATOM 1839 CD GLU A 195 -19.967 80.041 -12.576 1.00101.30 C ATOM 1840 OE1 GLU A 195 -21.072 80.619 -12.515 1.00104.43 O ATOM 1841 OE2 GLU A 195 -19.692 79.189 -13.445 1.00103.28 O ATOM 1842 H GLU A 195 -16.725 82.047 -11.625 1.00 0.00 H ATOM 1843 N ARG A 196 -17.055 80.209 -8.972 1.00 59.82 N ATOM 1844 CA ARG A 196 -16.788 79.286 -7.874 1.00 65.23 C ATOM 1845 C ARG A 196 -16.162 80.015 -6.697 1.00 52.94 C ATOM 1846 O ARG A 196 -16.497 79.748 -5.538 1.00 51.31 O ATOM 1847 CB ARG A 196 -15.888 78.143 -8.343 1.00 70.99 C ATOM 1848 CG ARG A 196 -16.552 77.223 -9.349 1.00 75.85 C ATOM 1849 CD ARG A 196 -15.645 76.072 -9.756 1.00 76.57 C ATOM 1850 NE ARG A 196 -16.268 75.234 -10.776 1.00 79.85 N ATOM 1851 CZ ARG A 196 -15.660 74.226 -11.397 1.00 74.94 C ATOM 1852 NH1 ARG A 196 -16.312 73.518 -12.306 1.00 75.66 N ATOM 1853 NH2 ARG A 196 -14.399 73.930 -11.110 1.00 72.94 N ATOM 1854 HE ARG A 196 -17.254 75.439 -11.035 1.00 0.00 H ATOM 1855 HH12 ARG A 196 -15.836 72.730 -12.791 1.00 0.00 H ATOM 1856 HH11 ARG A 196 -17.300 73.749 -12.535 1.00 0.00 H ATOM 1857 HH22 ARG A 196 -13.926 73.142 -11.597 1.00 0.00 H ATOM 1858 HH21 ARG A 196 -13.883 74.486 -10.398 1.00 0.00 H ATOM 1859 H ARG A 196 -16.599 80.068 -9.896 1.00 0.00 H ATOM 1860 N ARG A 197 -15.266 80.959 -6.977 1.00 50.31 N ATOM 1861 CA ARG A 197 -14.619 81.682 -5.893 1.00 44.34 C ATOM 1862 C ARG A 197 -15.602 82.602 -5.182 1.00 39.00 C ATOM 1863 O ARG A 197 -15.684 82.599 -3.949 1.00 40.82 O ATOM 1864 CB ARG A 197 -13.426 82.472 -6.424 1.00 43.22 C ATOM 1865 CG ARG A 197 -12.720 83.240 -5.337 1.00 43.16 C ATOM 1866 CD ARG A 197 -11.932 82.318 -4.409 1.00 46.77 C ATOM 1867 NE ARG A 197 -11.263 83.099 -3.372 1.00 42.59 N ATOM 1868 CZ ARG A 197 -11.425 82.926 -2.064 1.00 45.38 C ATOM 1869 NH1 ARG A 197 -12.219 81.961 -1.592 1.00 42.21 N ATOM 1870 NH2 ARG A 197 -10.771 83.716 -1.221 1.00 43.32 N ATOM 1871 HE ARG A 197 -10.610 83.848 -3.680 1.00 0.00 H ATOM 1872 HH12 ARG A 197 -12.335 81.839 -0.566 1.00 0.00 H ATOM 1873 HH11 ARG A 197 -12.721 81.332 -2.251 1.00 0.00 H ATOM 1874 HH22 ARG A 197 -10.888 83.592 -0.195 1.00 0.00 H ATOM 1875 HH21 ARG A 197 -10.142 84.459 -1.587 1.00 0.00 H ATOM 1876 H ARG A 197 -15.030 81.178 -7.966 1.00 0.00 H ATOM 1877 N VAL A 198 -16.359 83.402 -5.941 1.00 40.10 N ATOM 1878 CA VAL A 198 -17.316 84.316 -5.316 1.00 41.79 C ATOM 1879 C VAL A 198 -18.328 83.542 -4.480 1.00 41.18 C ATOM 1880 O VAL A 198 -18.662 83.944 -3.356 1.00 43.17 O ATOM 1881 CB VAL A 198 -18.010 85.193 -6.378 1.00 44.57 C ATOM 1882 CG1 VAL A 198 -19.074 86.071 -5.725 1.00 48.11 C ATOM 1883 CG2 VAL A 198 -16.995 86.057 -7.104 1.00 46.28 C ATOM 1884 H VAL A 198 -16.267 83.374 -6.977 1.00 0.00 H ATOM 1885 N LYS A 199 -18.823 82.415 -4.998 1.00 46.16 N ATOM 1886 CA LYS A 199 -19.773 81.626 -4.226 1.00 47.08 C ATOM 1887 C LYS A 199 -19.118 81.079 -2.962 1.00 44.22 C ATOM 1888 O LYS A 199 -19.743 81.050 -1.895 1.00 46.37 O ATOM 1889 CB LYS A 199 -20.359 80.506 -5.099 1.00 52.36 C ATOM 1890 CG LYS A 199 -21.059 79.384 -4.337 1.00 56.28 C ATOM 1891 CD LYS A 199 -20.093 78.284 -3.898 1.00 55.60 C ATOM 1892 CE LYS A 199 -20.661 77.435 -2.784 1.00 55.78 C ATOM 1893 NZ LYS A 199 -19.597 76.693 -2.050 1.00 56.44 N ATOM 1894 HZ1 LYS A 199 -19.093 76.068 -2.711 1.00 0.00 H ATOM 1895 HZ2 LYS A 199 -18.928 77.371 -1.633 1.00 0.00 H ATOM 1896 HZ3 LYS A 199 -20.031 76.124 -1.295 1.00 0.00 H ATOM 1897 H LYS A 199 -18.532 82.103 -5.946 1.00 0.00 H ATOM 1898 N GLU A 200 -17.857 80.643 -3.069 1.00 46.35 N ATOM 1899 CA GLU A 200 -17.087 80.206 -1.903 1.00 43.03 C ATOM 1900 C GLU A 200 -17.112 81.255 -0.802 1.00 44.75 C ATOM 1901 O GLU A 200 -17.316 80.940 0.375 1.00 45.19 O ATOM 1902 CB GLU A 200 -15.633 79.943 -2.304 1.00 49.07 C ATOM 1903 CG GLU A 200 -15.237 78.528 -2.572 1.00 59.75 C ATOM 1904 CD GLU A 200 -13.760 78.420 -2.962 1.00 62.22 C ATOM 1905 OE1 GLU A 200 -12.987 79.373 -2.696 1.00 49.77 O ATOM 1906 OE2 GLU A 200 -13.373 77.386 -3.541 1.00 68.40 O ATOM 1907 H GLU A 200 -17.411 80.614 -4.008 1.00 0.00 H ATOM 1908 N VAL A 201 -16.853 82.511 -1.173 1.00 38.79 N ATOM 1909 CA VAL A 201 -16.736 83.580 -0.185 1.00 37.51 C ATOM 1910 C VAL A 201 -18.095 83.893 0.429 1.00 36.84 C ATOM 1911 O VAL A 201 -18.211 84.085 1.647 1.00 37.81 O ATOM 1912 CB VAL A 201 -16.098 84.823 -0.829 1.00 38.41 C ATOM 1913 CG1 VAL A 201 -16.068 85.967 0.160 1.00 32.78 C ATOM 1914 CG2 VAL A 201 -14.692 84.483 -1.322 1.00 40.14 C ATOM 1915 H VAL A 201 -16.733 82.732 -2.182 1.00 0.00 H ATOM 1916 N VAL A 202 -19.143 83.938 -0.399 1.00 36.82 N ATOM 1917 CA VAL A 202 -20.489 84.199 0.112 1.00 44.23 C ATOM 1918 C VAL A 202 -20.908 83.113 1.097 1.00 43.14 C ATOM 1919 O VAL A 202 -21.458 83.403 2.170 1.00 43.37 O ATOM 1920 CB VAL A 202 -21.486 84.323 -1.054 1.00 42.41 C ATOM 1921 CG1 VAL A 202 -22.915 84.391 -0.531 1.00 46.91 C ATOM 1922 CG2 VAL A 202 -21.165 85.538 -1.890 1.00 40.52 C ATOM 1923 H VAL A 202 -19.000 83.786 -1.418 1.00 0.00 H ATOM 1924 N LYS A 203 -20.638 81.847 0.766 1.00 43.01 N ATOM 1925 CA LYS A 203 -21.035 80.764 1.658 1.00 41.62 C ATOM 1926 C LYS A 203 -20.296 80.849 2.988 1.00 45.12 C ATOM 1927 O LYS A 203 -20.869 80.566 4.046 1.00 47.20 O ATOM 1928 CB LYS A 203 -20.793 79.408 0.981 1.00 42.28 C ATOM 1929 CG LYS A 203 -20.885 78.207 1.916 1.00 50.02 C ATOM 1930 CD LYS A 203 -22.275 78.044 2.516 1.00 68.36 C ATOM 1931 CE LYS A 203 -23.296 77.555 1.497 1.00 74.53 C ATOM 1932 NZ LYS A 203 -24.646 77.401 2.114 1.00 77.40 N ATOM 1933 HZ1 LYS A 203 -24.595 76.710 2.890 1.00 0.00 H ATOM 1934 HZ2 LYS A 203 -24.962 78.319 2.486 1.00 0.00 H ATOM 1935 HZ3 LYS A 203 -25.319 77.067 1.395 1.00 0.00 H ATOM 1936 H LYS A 203 -20.146 81.635 -0.125 1.00 0.00 H ATOM 1937 N LYS A 204 -19.031 81.266 2.959 1.00 42.67 N ATOM 1938 CA LYS A 204 -18.222 81.247 4.172 1.00 44.66 C ATOM 1939 C LYS A 204 -18.610 82.363 5.138 1.00 40.34 C ATOM 1940 O LYS A 204 -18.679 82.138 6.353 1.00 50.78 O ATOM 1941 CB LYS A 204 -16.740 81.361 3.813 1.00 46.49 C ATOM 1942 CG LYS A 204 -15.833 81.558 5.015 1.00 46.55 C ATOM 1943 CD LYS A 204 -14.358 81.491 4.626 1.00 56.03 C ATOM 1944 CE LYS A 204 -13.458 81.686 5.839 1.00 56.68 C ATOM 1945 NZ LYS A 204 -12.015 81.573 5.493 1.00 55.99 N ATOM 1946 HZ1 LYS A 204 -11.827 80.629 5.099 1.00 0.00 H ATOM 1947 HZ2 LYS A 204 -11.771 82.298 4.789 1.00 0.00 H ATOM 1948 HZ3 LYS A 204 -11.442 81.713 6.350 1.00 0.00 H ATOM 1949 H LYS A 204 -18.619 81.607 2.067 1.00 0.00 H ATOM 1950 N HIS A 205 -18.876 83.558 4.616 1.00 35.68 N ATOM 1951 CA HIS A 205 -18.929 84.771 5.424 1.00 43.94 C ATOM 1952 C HIS A 205 -20.306 85.383 5.564 1.00 46.81 C ATOM 1953 O HIS A 205 -20.504 86.211 6.461 1.00 43.24 O ATOM 1954 CB HIS A 205 -18.017 85.855 4.831 1.00 40.89 C ATOM 1955 CG HIS A 205 -16.564 85.573 5.002 1.00 50.78 C ATOM 1956 ND1 HIS A 205 -15.906 85.773 6.196 1.00 59.76 N ATOM 1957 CD2 HIS A 205 -15.637 85.109 4.133 1.00 47.11 C ATOM 1958 CE1 HIS A 205 -14.637 85.435 6.057 1.00 56.81 C ATOM 1959 NE2 HIS A 205 -14.448 85.025 4.816 1.00 50.38 N ATOM 1960 H HIS A 205 -19.053 83.630 3.594 1.00 0.00 H ATOM 1961 N SER A 206 -21.241 85.025 4.693 1.00 38.24 N ATOM 1962 CA SER A 206 -22.502 85.730 4.567 1.00 38.60 C ATOM 1963 C SER A 206 -23.634 84.735 4.420 1.00 42.35 C ATOM 1964 O SER A 206 -24.573 84.942 3.648 1.00 58.59 O ATOM 1965 CB SER A 206 -22.456 86.707 3.389 1.00 38.82 C ATOM 1966 OG SER A 206 -21.405 87.664 3.559 1.00 42.76 O ATOM 1967 HG SER A 206 -21.558 88.176 4.392 1.00 0.00 H ATOM 1968 H SER A 206 -21.062 84.207 4.077 1.00 0.00 H ATOM 1969 N GLN A 207 -23.558 83.637 5.180 1.00 39.47 N ATOM 1970 CA GLN A 207 -24.501 82.537 5.082 1.00 40.62 C ATOM 1971 C GLN A 207 -25.790 82.790 5.855 1.00 47.28 C ATOM 1972 O GLN A 207 -26.766 82.059 5.666 1.00 49.23 O ATOM 1973 CB GLN A 207 -23.832 81.257 5.591 1.00 49.72 C ATOM 1974 CG GLN A 207 -24.476 79.981 5.140 1.00 57.05 C ATOM 1975 CD GLN A 207 -23.698 78.760 5.597 1.00 58.83 C ATOM 1976 OE1 GLN A 207 -22.462 78.784 5.685 1.00 57.38 O ATOM 1977 NE2 GLN A 207 -24.413 77.691 5.898 1.00 55.18 N ATOM 1978 HE22 GLN A 207 -25.449 77.716 5.809 1.00 0.00 H ATOM 1979 HE21 GLN A 207 -23.940 76.824 6.224 1.00 0.00 H ATOM 1980 H GLN A 207 -22.787 83.568 5.874 1.00 0.00 H ATOM 1981 N PHE A 208 -25.827 83.804 6.713 1.00 40.61 N ATOM 1982 CA PHE A 208 -27.028 84.089 7.488 1.00 41.98 C ATOM 1983 C PHE A 208 -27.532 85.508 7.233 1.00 45.83 C ATOM 1984 O PHE A 208 -28.205 86.112 8.067 1.00 45.11 O ATOM 1985 CB PHE A 208 -26.762 83.799 8.959 1.00 43.34 C ATOM 1986 CG PHE A 208 -26.610 82.333 9.221 1.00 45.94 C ATOM 1987 CD1 PHE A 208 -25.400 81.700 9.000 1.00 45.75 C ATOM 1988 CD2 PHE A 208 -27.701 81.572 9.593 1.00 49.12 C ATOM 1989 CE1 PHE A 208 -25.270 80.342 9.195 1.00 43.77 C ATOM 1990 CE2 PHE A 208 -27.575 80.214 9.793 1.00 52.05 C ATOM 1991 CZ PHE A 208 -26.353 79.601 9.586 1.00 49.88 C ATOM 1992 H PHE A 208 -24.986 84.404 6.833 1.00 0.00 H ATOM 1993 N ILE A 209 -27.227 86.030 6.050 1.00 41.60 N ATOM 1994 CA ILE A 209 -27.789 87.297 5.605 1.00 40.57 C ATOM 1995 C ILE A 209 -29.255 87.091 5.255 1.00 44.11 C ATOM 1996 O ILE A 209 -29.635 86.075 4.657 1.00 48.64 O ATOM 1997 CB ILE A 209 -26.984 87.838 4.413 1.00 38.92 C ATOM 1998 CG1 ILE A 209 -25.524 88.034 4.817 1.00 45.39 C ATOM 1999 CG2 ILE A 209 -27.560 89.156 3.919 1.00 41.93 C ATOM 2000 CD1 ILE A 209 -25.310 89.108 5.870 1.00 47.50 C ATOM 2001 H ILE A 209 -26.570 85.520 5.426 1.00 0.00 H ATOM 2002 N GLY A 210 -30.095 88.045 5.648 1.00 38.03 N ATOM 2003 CA GLY A 210 -31.526 87.861 5.528 1.00 40.31 C ATOM 2004 C GLY A 210 -32.134 88.316 4.219 1.00 40.17 C ATOM 2005 O GLY A 210 -33.318 88.653 4.183 1.00 43.94 O ATOM 2006 H GLY A 210 -29.720 88.930 6.045 1.00 0.00 H ATOM 2007 N TYR A 211 -31.347 88.322 3.144 1.00 38.10 N ATOM 2008 CA TYR A 211 -31.787 88.739 1.818 1.00 40.53 C ATOM 2009 C TYR A 211 -31.170 87.825 0.777 1.00 40.05 C ATOM 2010 O TYR A 211 -30.065 87.302 0.980 1.00 37.46 O ATOM 2011 CB TYR A 211 -31.385 90.193 1.513 1.00 43.89 C ATOM 2012 CG TYR A 211 -31.969 91.149 2.503 1.00 39.84 C ATOM 2013 CD1 TYR A 211 -33.278 91.590 2.371 1.00 40.83 C ATOM 2014 CD2 TYR A 211 -31.232 91.575 3.604 1.00 38.94 C ATOM 2015 CE1 TYR A 211 -33.826 92.443 3.287 1.00 40.29 C ATOM 2016 CE2 TYR A 211 -31.781 92.427 4.537 1.00 39.21 C ATOM 2017 CZ TYR A 211 -33.077 92.862 4.368 1.00 41.86 C ATOM 2018 OH TYR A 211 -33.644 93.708 5.290 1.00 43.33 O ATOM 2019 HH TYR A 211 -33.652 93.269 6.177 1.00 0.00 H ATOM 2020 H TYR A 211 -30.361 88.011 3.257 1.00 0.00 H ATOM 2021 N PRO A 212 -31.844 87.616 -0.349 1.00 37.93 N ATOM 2022 CA PRO A 212 -31.302 86.716 -1.373 1.00 38.84 C ATOM 2023 C PRO A 212 -30.128 87.356 -2.090 1.00 34.25 C ATOM 2024 O PRO A 212 -30.135 88.552 -2.375 1.00 35.91 O ATOM 2025 CB PRO A 212 -32.486 86.507 -2.322 1.00 42.24 C ATOM 2026 CG PRO A 212 -33.314 87.742 -2.147 1.00 45.79 C ATOM 2027 CD PRO A 212 -33.199 88.091 -0.692 1.00 40.73 C ATOM 2028 N ILE A 213 -29.116 86.544 -2.387 1.00 37.07 N ATOM 2029 CA ILE A 213 -27.914 86.995 -3.081 1.00 38.30 C ATOM 2030 C ILE A 213 -27.810 86.187 -4.363 1.00 40.35 C ATOM 2031 O ILE A 213 -27.683 84.959 -4.312 1.00 43.25 O ATOM 2032 CB ILE A 213 -26.660 86.813 -2.213 1.00 34.83 C ATOM 2033 CG1 ILE A 213 -26.809 87.603 -0.910 1.00 35.60 C ATOM 2034 CG2 ILE A 213 -25.400 87.232 -2.981 1.00 33.48 C ATOM 2035 CD1 ILE A 213 -25.666 87.397 0.072 1.00 42.72 C ATOM 2036 H ILE A 213 -29.185 85.543 -2.112 1.00 0.00 H ATOM 2037 N THR A 214 -27.871 86.866 -5.505 1.00 41.34 N ATOM 2038 CA THR A 214 -27.839 86.211 -6.806 1.00 40.71 C ATOM 2039 C THR A 214 -26.572 86.598 -7.556 1.00 43.17 C ATOM 2040 O THR A 214 -26.191 87.773 -7.596 1.00 36.66 O ATOM 2041 CB THR A 214 -29.068 86.566 -7.641 1.00 37.24 C ATOM 2042 OG1 THR A 214 -30.255 86.229 -6.910 1.00 39.24 O ATOM 2043 CG2 THR A 214 -29.074 85.781 -8.943 1.00 41.60 C ATOM 2044 HG1 THR A 214 -30.274 86.738 -6.061 1.00 0.00 H ATOM 2045 H THR A 214 -27.944 87.903 -5.468 1.00 0.00 H ATOM 2046 N LEU A 215 -25.936 85.599 -8.159 1.00 37.14 N ATOM 2047 CA LEU A 215 -24.689 85.766 -8.894 1.00 39.08 C ATOM 2048 C LEU A 215 -24.962 85.682 -10.394 1.00 45.87 C ATOM 2049 O LEU A 215 -25.637 84.751 -10.853 1.00 48.63 O ATOM 2050 CB LEU A 215 -23.686 84.693 -8.461 1.00 44.45 C ATOM 2051 CG LEU A 215 -22.325 84.581 -9.151 1.00 53.94 C ATOM 2052 CD1 LEU A 215 -21.517 85.862 -8.983 1.00 51.37 C ATOM 2053 CD2 LEU A 215 -21.563 83.386 -8.595 1.00 56.38 C ATOM 2054 H LEU A 215 -26.351 84.647 -8.103 1.00 0.00 H ATOM 2055 N TYR A 216 -24.451 86.657 -11.149 1.00 42.32 N ATOM 2056 CA TYR A 216 -24.635 86.755 -12.595 1.00 43.75 C ATOM 2057 C TYR A 216 -23.295 86.632 -13.303 1.00 58.70 C ATOM 2058 O TYR A 216 -22.324 87.276 -12.909 1.00 63.37 O ATOM 2059 CB TYR A 216 -25.253 88.096 -12.997 1.00 46.17 C ATOM 2060 CG TYR A 216 -26.679 88.300 -12.579 1.00 43.67 C ATOM 2061 CD1 TYR A 216 -26.996 88.630 -11.269 1.00 40.22 C ATOM 2062 CD2 TYR A 216 -27.708 88.201 -13.501 1.00 50.33 C ATOM 2063 CE1 TYR A 216 -28.295 88.830 -10.887 1.00 46.25 C ATOM 2064 CE2 TYR A 216 -29.017 88.396 -13.124 1.00 52.96 C ATOM 2065 CZ TYR A 216 -29.303 88.715 -11.814 1.00 52.80 C ATOM 2066 OH TYR A 216 -30.605 88.913 -11.422 1.00 60.26 O ATOM 2067 HH TYR A 216 -30.628 89.132 -10.457 1.00 0.00 H ATOM 2068 H TYR A 216 -23.887 87.393 -10.678 1.00 0.00 H ATOM 2069 N LEU A 217 -23.251 85.854 -14.379 1.00 67.07 N ATOM 2070 CA LEU A 217 -21.981 85.639 -15.071 1.00 79.46 C ATOM 2071 C LEU A 217 -22.044 86.047 -16.544 1.00 86.37 C ATOM 2072 O LEU A 217 -21.102 86.645 -17.077 1.00 90.22 O ATOM 2073 CB LEU A 217 -21.565 84.174 -14.940 1.00 79.77 C ATOM 2074 CG LEU A 217 -20.292 83.709 -15.653 1.00 83.29 C ATOM 2075 CD1 LEU A 217 -19.100 84.448 -15.076 1.00 85.59 C ATOM 2076 CD2 LEU A 217 -20.073 82.202 -15.565 1.00 86.77 C ATOM 2077 H LEU A 217 -24.118 85.399 -14.728 1.00 0.00 H TER 2078 LEU A 217 HETATM 2079 O HOH 1 -1.807 93.516 -9.158 1.00 50.62 O HETATM 2080 O HOH 2 -18.751 122.554 -6.659 1.00 46.26 O HETATM 2081 O HOH 3 -23.242 116.507 -11.951 1.00 41.22 O HETATM 2082 O HOH 4 -22.095 121.188 -4.865 1.00 46.32 O HETATM 2083 O HOH 5 -46.706 98.216 6.812 1.00 66.21 O HETATM 2084 O HOH 6 -29.374 109.584 2.398 1.00 33.78 O HETATM 2085 O HOH 7 -31.520 89.045 -9.111 1.00 43.58 O HETATM 2086 O HOH 8 -25.684 100.319 -16.191 1.00 64.09 O HETATM 2087 O HOH 9 -10.271 81.791 2.280 1.00 39.19 O HETATM 2088 O HOH 10 -10.219 85.273 -12.918 1.00 54.87 O HETATM 2089 O HOH 11 -29.172 116.900 -5.964 1.00 53.78 O HETATM 2090 O HOH 12 -10.048 107.655 -10.059 1.00 41.46 O HETATM 2091 O HOH 13 -19.213 94.405 8.939 1.00 45.85 O HETATM 2092 O HOH 14 -7.669 113.737 14.174 1.00 38.76 O HETATM 2093 O HOH 15 -34.234 89.893 6.867 1.00 60.76 O HETATM 2094 O HOH 16 -16.573 111.082 16.792 1.00 46.12 O HETATM 2095 O HOH 17 -7.435 83.306 -2.226 1.00 62.21 O HETATM 2096 O HOH 18 -20.930 102.952 9.107 1.00 42.42 O HETATM 2097 O HOH 19 -2.131 95.199 13.240 1.00 54.20 O HETATM 2098 O HOH 20 -29.790 113.875 2.795 1.00 58.65 O HETATM 2099 O HOH 21 -6.362 118.562 0.367 1.00 42.87 O HETATM 2100 O HOH 22 -9.477 115.620 9.375 1.00 34.18 O HETATM 2101 O HOH 23 -10.728 115.179 -10.301 1.00 46.74 O HETATM 2102 O HOH 24 -28.849 100.885 -0.774 1.00 33.33 O HETATM 2103 O HOH 25 -5.852 87.402 0.633 1.00 42.87 O HETATM 2104 O HOH 26 -2.563 102.160 19.243 1.00 42.16 O HETATM 2105 O HOH 27 -15.188 120.736 -12.708 1.00 57.83 O HETATM 2106 O HOH 28 -16.341 111.117 12.276 1.00 43.07 O HETATM 2107 O HOH 29 -1.165 92.205 -1.304 1.00 42.38 O HETATM 2108 O HOH 30 -10.161 89.997 -16.320 1.00 60.92 O HETATM 2109 O HOH 31 -14.494 120.393 -8.183 1.00 39.48 O HETATM 2110 O HOH 32 -29.190 106.772 3.267 1.00 33.39 O HETATM 2111 O HOH 33 -18.267 96.884 -15.299 1.00 49.02 O HETATM 2112 O HOH 34 -19.110 96.828 6.472 1.00 34.72 O HETATM 2113 O HOH 35 -7.865 109.929 -5.511 1.00 63.32 O HETATM 2114 O HOH 36 -28.367 94.025 8.431 1.00 42.86 O HETATM 2115 O HOH 37 -21.778 116.658 -8.184 1.00 42.72 O HETATM 2116 O HOH 38 -23.477 75.170 5.783 1.00 55.71 O HETATM 2117 O HOH 39 -30.113 96.999 10.390 1.00 43.33 O HETATM 2118 O HOH 40 -7.720 115.965 11.520 1.00 43.51 O HETATM 2119 O HOH 41 -24.199 97.143 11.046 1.00 59.52 O HETATM 2120 O HOH 42 -28.731 115.642 -1.390 1.00 38.89 O HETATM 2121 O HOH 43 -7.221 87.495 -2.396 1.00 42.53 O HETATM 2122 O HOH 44 -4.409 108.442 15.857 1.00 64.32 O HETATM 2123 O HOH 45 -6.516 86.434 -7.514 1.00 37.43 O HETATM 2124 O HOH 46 -1.469 105.105 5.562 1.00 31.40 O HETATM 2125 O HOH 47 -29.334 90.370 7.182 1.00 40.24 O HETATM 2126 O HOH 48 -35.474 106.018 -5.678 1.00 40.36 O HETATM 2127 O HOH 49 -0.796 88.970 0.607 1.00 49.61 O HETATM 2128 O HOH 50 -24.920 94.084 8.811 1.00 43.68 O HETATM 2129 O HOH 51 -5.460 103.222 -7.403 1.00 33.85 O HETATM 2130 O HOH 52 -20.986 97.358 -13.375 1.00 40.38 O HETATM 2131 O HOH 53 -38.929 109.231 -5.495 1.00 63.32 O HETATM 2132 O HOH 54 -15.421 93.505 10.279 1.00 34.47 O HETATM 2133 O HOH 55 -19.104 93.917 -12.972 1.00 35.01 O HETATM 2134 O HOH 56 -24.561 112.706 6.234 1.00 36.60 O HETATM 2135 O HOH 57 -7.633 104.068 -11.219 1.00 47.86 O HETATM 2136 O HOH 58 2.713 97.687 -0.432 1.00 29.96 O HETATM 2137 O HOH 59 -25.606 117.985 -8.194 1.00 55.35 O HETATM 2138 O HOH 60 -36.296 89.535 -0.373 1.00 30.00 O HETATM 2139 O HOH 61 -29.950 109.689 -4.425 1.00 32.99 O HETATM 2140 O HOH 62 -36.662 110.023 -7.933 1.00 60.64 O HETATM 2141 O HOH 63 -0.253 99.088 3.789 1.00 30.88 O HETATM 2142 O HOH 64 1.697 97.216 18.910 1.00 60.66 O HETATM 2143 O HOH 65 -9.145 109.143 -6.993 1.00 41.06 O HETATM 2144 O HOH 66 -10.256 79.046 -3.006 1.00 66.53 O HETATM 2145 O HOH 67 -5.309 107.801 0.142 1.00 32.43 O HETATM 2146 O HOH 68 -17.761 104.763 11.807 1.00 36.54 O HETATM 2147 O HOH 69 -30.824 88.509 -5.426 1.00 38.90 O HETATM 2148 O HOH 70 -8.159 116.266 6.987 1.00 32.34 O HETATM 2149 O HOH 71 -34.921 105.688 -0.628 1.00 36.11 O HETATM 2150 O HOH 72 -11.994 111.716 14.947 1.00 42.00 O HETATM 2151 O HOH 73 -9.604 115.561 14.975 1.00 45.18 O HETATM 2152 O HOH 74 -33.519 87.821 -6.000 1.00 45.67 O HETATM 2153 O HOH 75 -31.738 91.554 8.049 1.00 43.23 O HETATM 2154 O HOH 76 -4.148 95.459 -0.312 1.00 28.29 O HETATM 2155 O HOH 77 -24.306 105.542 3.963 1.00 50.57 O HETATM 2156 O HOH 78 -11.682 84.763 6.674 1.00 59.39 O HETATM 2157 O HOH 79 -30.450 99.092 -7.058 1.00 45.03 O HETATM 2158 O HOH 80 -3.195 95.843 -10.496 1.00 42.76 O HETATM 2159 O HOH 81 -18.727 100.839 5.758 1.00 30.34 O HETATM 2160 O HOH 82 -2.624 101.563 11.686 1.00 50.88 O HETATM 2161 O HOH 83 -18.418 98.819 17.424 1.00 41.13 O HETATM 2162 O HOH 84 0.613 103.338 1.537 1.00 52.10 O HETATM 2163 O HOH 85 -16.825 107.327 11.920 1.00 29.45 O HETATM 2164 O HOH 86 -13.949 117.964 -10.900 1.00 39.91 O HETATM 2165 O HOH 87 -2.725 105.647 -1.733 1.00 52.65 O HETATM 2166 O HOH 88 -36.678 105.826 -9.016 1.00 48.18 O HETATM 2167 O HOH 89 -17.258 101.796 -13.422 1.00 42.34 O HETATM 2168 O HOH 90 -17.990 110.450 -9.994 1.00 31.53 O HETATM 2169 O HOH 91 -11.279 97.532 -14.454 1.00 41.56 O HETATM 2170 O HOH 92 -22.266 97.165 7.716 1.00 43.88 O HETATM 2171 O HOH 93 -11.686 108.258 16.592 1.00 37.55 O HETATM 2172 O HOH 94 -30.053 107.989 -14.069 1.00 44.14 O HETATM 2173 O HOH 95 -32.636 85.464 -8.216 1.00 53.40 O HETATM 2174 O HOH 96 -28.928 112.191 -11.973 1.00 41.90 O HETATM 2175 O HOH 97 -5.149 106.632 13.995 1.00 41.55 O HETATM 2176 O HOH 98 -6.997 113.843 1.344 1.00 41.83 O HETATM 2177 O HOH 99 -30.059 99.492 9.045 1.00 39.36 O HETATM 2178 O HOH 100 -11.043 110.844 -7.852 1.00 50.51 O HETATM 2179 O HOH 101 -13.347 81.827 1.076 1.00 53.76 O HETATM 2180 O HOH 102 -24.270 110.874 -16.675 1.00 61.09 O HETATM 2181 O HOH 103 -17.499 119.738 -14.205 1.00 49.54 O HETATM 2182 O HOH 104 -29.998 94.162 -6.791 1.00 50.38 O HETATM 2183 O HOH 105 -9.187 97.223 -12.943 1.00 39.85 O HETATM 2184 O HOH 106 -19.612 107.431 7.399 1.00 60.65 O HETATM 2185 O HOH 107 -5.754 114.112 -4.011 1.00 45.68 O HETATM 2186 O HOH 108 -21.924 89.932 5.249 1.00 47.87 O HETATM 2187 O HOH 109 -21.556 88.449 7.931 1.00 56.34 O HETATM 2188 O HOH 110 -9.041 102.613 18.804 1.00 35.03 O HETATM 2189 O HOH 111 -32.828 105.502 -10.586 1.00 38.66 O HETATM 2190 O HOH 112 -24.486 113.884 8.816 1.00 51.00 O HETATM 2191 O HOH 113 -20.852 89.524 -16.860 1.00 65.48 O HETATM 2192 O HOH 114 -0.270 97.187 5.901 1.00 42.19 O HETATM 2193 O HOH 115 -7.742 108.389 -0.813 1.00 30.84 O HETATM 2194 O HOH 116 -13.074 98.644 -16.659 1.00 55.61 O HETATM 2195 O HOH 117 -18.932 99.002 8.072 1.00 32.07 O HETATM 2196 O HOH 118 -38.243 91.283 -1.287 1.00 50.79 O HETATM 2197 O HOH 119 -36.347 96.809 -6.046 1.00 47.15 O HETATM 2198 O HOH 120 -19.110 112.444 -16.373 1.00 56.42 O HETATM 2199 O HOH 121 -13.858 115.748 3.700 1.00 35.50 O HETATM 2200 O HOH 122 -8.981 117.659 -3.870 1.00 42.94 O HETATM 2201 O HOH 123 -4.184 93.025 10.049 1.00 40.68 O HETATM 2202 O HOH 124 -3.131 112.753 4.772 1.00 39.10 O HETATM 2203 O HOH 125 -24.138 120.033 -3.433 1.00 50.30 O HETATM 2204 O HOH 126 -33.302 107.697 4.613 1.00 47.25 O HETATM 2205 O HOH 127 -32.061 110.223 -11.224 1.00 45.42 O HETATM 2206 O HOH 128 -15.064 120.957 -5.635 1.00 40.42 O HETATM 2207 O HOH 129 -8.935 85.857 1.363 1.00 30.00 O HETATM 2208 O HOH 130 -34.922 99.181 -6.457 1.00 44.06 O HETATM 2209 O HOH 131 -6.208 96.912 19.299 1.00 39.56 O HETATM 2210 O HOH 132 -2.551 108.849 2.621 1.00 47.63 O HETATM 2211 O HOH 133 -18.883 87.088 2.032 1.00 40.43 O HETATM 2212 O HOH 134 -2.883 93.932 -3.489 1.00 58.94 O HETATM 2213 O HOH 135 0.125 94.605 -1.337 1.00 37.53 O HETATM 2214 O HOH 136 -21.391 83.027 7.362 1.00 42.65 O HETATM 2215 O HOH 137 -28.981 93.562 -11.204 1.00 56.76 O HETATM 2216 O HOH 138 -15.654 107.261 -12.989 1.00 59.68 O HETATM 2217 O HOH 139 -14.552 98.768 17.934 1.00 39.24 O HETATM 2218 O HOH 140 -37.564 91.331 3.676 1.00 47.07 O HETATM 2219 O HOH 141 2.018 97.640 14.910 1.00 50.94 O HETATM 2220 O HOH 142 -26.791 106.806 4.664 1.00 42.07 O HETATM 2221 O HOH 143 -12.117 86.831 8.767 1.00 48.61 O HETATM 2222 O HOH 144 -9.170 101.368 -13.001 1.00 57.35 O HETATM 2223 O HOH 145 -2.128 88.731 6.953 1.00 42.24 O HETATM 2224 O HOH 146 -36.761 87.458 -3.235 1.00 64.24 O HETATM 2225 O HOH 147 -14.892 113.326 13.368 1.00 42.35 O HETATM 2226 O HOH 148 -22.677 99.404 -14.151 1.00 56.13 O HETATM 2227 O HOH 149 -36.985 106.522 1.316 1.00 39.66 O HETATM 2228 O HOH 150 -15.300 98.843 -16.913 1.00 66.52 O HETATM 2229 O HOH 151 -20.772 94.266 -15.148 1.00 42.13 O HETATM 2230 O HOH 152 -21.645 108.988 -13.955 1.00 59.39 O HETATM 2231 O HOH 153 -2.122 105.438 16.937 1.00 50.50 O HETATM 2232 O HOH 154 -9.450 107.534 18.029 1.00 45.24 O HETATM 2233 O HOH 155 -31.850 110.758 3.428 1.00 46.05 O HETATM 2234 O HOH 156 -2.724 105.453 14.351 1.00 46.19 O HETATM 2235 O HOH 157 -32.109 107.839 -12.354 1.00 52.25 O HETATM 2236 O HOH 158 -17.921 108.236 -11.709 1.00 46.68 O HETATM 2237 O HOH 159 -6.904 84.629 0.035 1.00 52.55 O HETATM 2238 O HOH 160 -3.622 110.122 -0.061 1.00 44.82 O HETATM 2239 O HOH 161 -27.616 89.464 9.272 1.00 47.98 O HETATM 2240 O HOH 162 -31.789 97.266 12.368 1.00 67.66 O HETATM 2241 O HOH 163 -10.638 99.971 -16.138 1.00 65.49 O HETATM 2242 O HOH 164 0.225 103.861 3.982 1.00 41.94 O HETATM 2243 O HOH 165 -33.846 87.845 -8.645 1.00 60.18 O HETATM 2244 O HOH 166 -9.099 116.900 -10.489 1.00 60.08 O HETATM 2245 O HOH 167 -28.119 118.569 -4.754 1.00 59.78 O HETATM 2246 O HOH 168 -27.540 117.863 -2.144 1.00 49.87 O HETATM 2247 O HOH 169 -0.595 111.705 3.897 1.00 62.81 O HETATM 2248 O HOH 170 -24.898 118.306 -1.412 1.00 45.76 O HETATM 2249 O HOH 171 -33.453 96.042 -9.503 1.00 64.54 O HETATM 2250 O HOH 172 -0.244 107.685 5.458 1.00 53.18 O HETATM 2251 O HOH 173 -2.106 94.333 8.635 1.00 54.62 O HETATM 2252 O HOH 174 0.060 93.898 14.649 1.00 53.23 O HETATM 2253 O HOH 175 -27.800 92.796 10.599 1.00 48.30 O HETATM 2254 O HOH 176 -5.710 116.164 -0.713 1.00 66.11 O HETATM 2255 O HOH 177 -0.845 99.260 11.185 1.00 57.24 O HETATM 2256 O HOH 178 -21.037 99.393 9.595 1.00 50.82 O HETATM 2257 O HOH 179 -26.046 94.553 12.401 1.00 71.19 O HETATM 2258 O HOH 180 -31.240 96.024 -8.675 1.00 54.16 O HETATM 2259 O HOH 181 -19.745 107.913 -13.625 1.00 54.55 O HETATM 2260 O HOH 182 -18.454 108.142 14.126 1.00 50.45 O HETATM 2261 O HOH 183 -20.176 103.770 13.009 1.00 54.96 O HETATM 2262 O HOH 184 -9.589 87.351 -15.553 1.00 61.94 O HETATM 2263 O HOH 185 -30.951 106.207 5.201 1.00 36.83 O HETATM 2264 O HOH 186 1.507 88.560 -0.426 1.00 58.54 O HETATM 2265 O HOH 187 -23.212 103.876 5.846 1.00 50.94 O HETATM 2266 O HOH 188 -4.568 120.457 3.904 1.00 60.44 O HETATM 2267 O HOH 189 -1.892 96.955 8.943 1.00 50.48 O HETATM 2268 O HOH 190 -5.965 117.606 7.427 1.00 37.36 O HETATM 2269 O HOH 191 -4.471 112.899 2.234 1.00 51.13 O HETATM 2270 C01 KU A 3 -20.892 102.741 2.422 1.00 -0.06 C HETATM 2271 C02 KU A 3 -21.010 101.967 1.123 1.00 -0.02 C HETATM 2272 C03 KU A 3 -20.706 102.879 -0.080 1.00 -0.06 C HETATM 2273 H5 KU A 3 -20.797 102.300 -1.011 1.00 0.03 H HETATM 2274 H6 KU A 3 -19.683 103.274 0.008 1.00 0.03 H HETATM 2275 H7 KU A 3 -21.421 103.715 -0.097 1.00 0.03 H HETATM 2276 C04 KU A 3 -22.396 101.384 0.879 1.00 -0.01 C HETATM 2277 C05 KU A 3 -23.546 102.125 1.128 1.00 -0.05 C HETATM 2278 C06 KU A 3 -24.799 101.565 0.842 1.00 0.09 C HETATM 2279 C07 KU A 3 -24.923 100.286 0.319 1.00 0.11 C HETATM 2280 O08 KU A 3 -26.189 99.763 0.059 1.00 -0.33 O HETATM 2281 H9 KU A 3 -26.102 98.885 -0.293 1.00 0.25 H HETATM 2282 C09 KU A 3 -23.768 99.542 0.054 1.00 0.06 C HETATM 2283 C10 KU A 3 -22.520 100.090 0.331 1.00 0.16 C HETATM 2284 O11 KU A 3 -21.596 99.199 -0.011 1.00 -0.17 O HETATM 2285 N12 KU A 3 -22.184 98.096 -0.486 1.00 -0.14 N HETATM 2286 C13 KU A 3 -23.518 98.198 -0.494 1.00 0.04 C HETATM 2287 H10 KU A 3 -24.247 97.461 -0.827 1.00 0.07 H HETATM 2288 C14 KU A 3 -26.030 102.388 1.138 1.00 0.29 C HETATM 2289 O15 KU A 3 -26.694 102.941 0.328 1.00 -0.33 O HETATM 2290 N16 KU A 3 -26.335 102.542 2.515 1.00 -0.24 N HETATM 2291 C17 KU A 3 -25.653 101.903 3.621 1.00 0.03 C HETATM 2292 C18 KU A 3 -26.584 102.139 4.810 1.00 -0.04 C HETATM 2293 C19 KU A 3 -27.616 102.960 4.429 1.00 -0.03 C HETATM 2294 C20 KU A 3 -27.481 103.326 2.946 1.00 0.04 C HETATM 2295 H12 KU A 3 -28.094 104.007 2.358 1.00 0.04 H HETATM 2296 C21 KU A 3 -28.613 103.337 5.346 1.00 -0.03 C HETATM 2297 C22 KU A 3 -28.517 102.870 6.644 1.00 0.13 C HETATM 2298 F23 KU A 3 -29.474 103.231 7.542 1.00 -0.18 F HETATM 2299 C24 KU A 3 -27.477 102.039 7.038 1.00 -0.03 C HETATM 2300 C25 KU A 3 -26.491 101.667 6.134 1.00 -0.06 C HETATM 2301 H15 KU A 3 -25.670 101.029 6.440 1.00 0.06 H HETATM 2302 H14 KU A 3 -27.434 101.678 8.059 1.00 0.06 H HETATM 2303 H13 KU A 3 -29.434 103.976 5.044 1.00 0.06 H HETATM 2304 H11 KU A 3 -24.700 101.377 3.609 1.00 0.04 H HETATM 2305 H8 KU A 3 -23.474 103.126 1.539 1.00 0.05 H HETATM 2306 H4 KU A 3 -20.280 101.144 1.152 1.00 0.04 H HETATM 2307 H1 KU A 3 -19.868 103.129 2.526 1.00 0.03 H HETATM 2308 H2 KU A 3 -21.120 102.075 3.268 1.00 0.03 H HETATM 2309 H3 KU A 3 -21.603 103.581 2.414 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2270 2271 2307 2308 2309 CONECT 2271 2270 2272 2276 2306 CONECT 2272 2271 2273 2274 2275 CONECT 2273 2272 CONECT 2274 2272 CONECT 2275 2272 CONECT 2276 2271 2277 2283 CONECT 2277 2276 2278 2305 CONECT 2278 2277 2279 2288 CONECT 2279 2278 2280 2282 CONECT 2280 2279 2281 CONECT 2281 2280 CONECT 2282 2279 2283 2286 CONECT 2283 2276 2282 2284 CONECT 2284 2283 2285 CONECT 2285 2284 2286 CONECT 2286 2282 2285 2287 CONECT 2287 2286 CONECT 2288 2278 2289 2290 CONECT 2289 2288 CONECT 2290 2288 2291 2294 CONECT 2291 2290 2292 2304 CONECT 2292 2291 2293 2300 CONECT 2293 2292 2294 2296 CONECT 2294 2290 2293 2295 CONECT 2295 2294 CONECT 2296 2293 2297 2303 CONECT 2297 2296 2298 2299 CONECT 2298 2297 CONECT 2299 2297 2300 2302 CONECT 2300 2292 2299 2301 CONECT 2301 2300 CONECT 2302 2299 CONECT 2303 2296 CONECT 2304 2291 CONECT 2305 2277 CONECT 2306 2271 CONECT 2307 2270 CONECT 2308 2270 CONECT 2309 2270 MASTER 0 0 0 0 0 0 0 0 2308 1 44 17 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5ucj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
220aa, >1UYM_1|Chain... at 100%
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PDBbind
239aa, >3NMQ_1|Chain... at 92%
5uc4
RCSB PDB
PDBbind
220aa, >5UC4_1|Chains... at 99%
5uch
RCSB PDB
PDBbind
220aa, >5UCH_1|Chains... at 99%
5uci
RCSB PDB
PDBbind
220aa, >5UCI_1|Chains... at 99%
6n8y
RCSB PDB
PDBbind
241aa, >6N8Y_1|Chain... *
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
5ucj
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Heat shock protein HSP 90-beta
Ligand Name
KU3
EC.Number
E.C.-.-.-.-
Resolution
1.69(Å)
Affinity (Kd/Ki/IC50)
Kd=0.44uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 425-425
Ligand Properties
Formula
C
1
9
H
1
5
FN
2
O
3
Molecular Weight
338.332
Exact Mass
338.107
No. of atoms
40
No. of bonds
43
Polar Surface Area
68.26
LOGP Value
4.66 (
Computed with XLOGP3
)
4.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Fc1ccc2c(c1)cn(c2)C(=O)c1cc(C(C)C)c2c(c1O)cno2
InChI String
InChI=1S/C19H15FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-10,23H,1-2H3
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):
P08238
Entrez Gene ID
NCBI Entrez Gene ID:
3326
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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