Browse entries in the PDBbind-CN Database
HEADER 3W9R_COMPLEX COMPND 3W9R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 171 GLY GLY LEU GLU THR VAL GLN TYR VAL ARG THR HIS HIS SEQRES 2 A 171 GLN HIS LEU CYS ARG GLU ASN GLN CYS THR SER ALA LEU SEQRES 3 A 171 VAL LYS HIS ILE LYS ALA PRO LEU HIS LEU VAL TRP SER SEQRES 4 A 171 LEU VAL ARG ARG PHE ASP GLN PRO GLN LYS TYR LYS PRO SEQRES 5 A 171 PHE VAL SER ARG CYS THR VAL ILE GLY ASP PRO GLU ILE SEQRES 6 A 171 GLY SER LEU ARG GLU VAL ASN VAL LYS SER GLY LEU PRO SEQRES 7 A 171 ALA THR THR SER THR GLU ARG LEU GLU LEU LEU ASP ASP SEQRES 8 A 171 GLU GLU HIS ILE LEU GLY ILE LYS ILE ILE GLY GLY ASP SEQRES 9 A 171 HIS ARG LEU LYS ASN TYR SER SER ILE LEU THR VAL HIS SEQRES 10 A 171 PRO GLU ILE ILE GLU GLY ARG ALA GLY THR MET VAL ILE SEQRES 11 A 171 GLU SER PHE VAL VAL ASP VAL PRO GLN GLY ASN THR LYS SEQRES 12 A 171 ASP GLU THR CYS TYR PHE VAL GLU ALA LEU ILE ARG CYS SEQRES 13 A 171 ASN LEU LYS SER LEU ALA ASP VAL SER GLU ARG LEU ALA SEQRES 14 A 171 SER GLN HET A A 8S 38 ATOM 1 N GLY A 13 24.691 -21.680 -9.522 1.00 58.17 N ATOM 2 CA GLY A 13 26.183 -21.694 -9.543 1.00 67.93 C ATOM 3 C GLY A 13 26.702 -23.120 -9.542 1.00 73.70 C ATOM 4 O GLY A 13 27.317 -23.579 -10.511 1.00 66.48 O ATOM 5 HN3 GLY A 13 24.353 -22.162 -8.665 1.00 0.00 H ATOM 6 HN2 GLY A 13 24.329 -22.172 -10.364 1.00 0.00 H ATOM 7 HN1 GLY A 13 24.355 -20.696 -9.523 1.00 0.00 H ATOM 8 N GLY A 14 26.444 -23.822 -8.443 1.00 82.70 N ATOM 9 CA GLY A 14 26.777 -25.236 -8.333 1.00 72.36 C ATOM 10 C GLY A 14 25.870 -26.077 -9.212 1.00 85.63 C ATOM 11 O GLY A 14 26.346 -26.756 -10.125 1.00 73.02 O ATOM 12 H GLY A 14 25.990 -23.347 -7.637 1.00 0.00 H ATOM 13 N LEU A 15 24.563 -26.028 -8.936 1.00 81.61 N ATOM 14 CA LEU A 15 23.560 -26.737 -9.743 1.00 83.23 C ATOM 15 C LEU A 15 23.708 -26.398 -11.229 1.00 83.75 C ATOM 16 O LEU A 15 23.300 -27.172 -12.100 1.00 83.55 O ATOM 17 CB LEU A 15 22.133 -26.391 -9.285 1.00 83.18 C ATOM 18 CG LEU A 15 21.748 -26.468 -7.805 1.00 84.36 C ATOM 19 CD1 LEU A 15 20.272 -26.131 -7.633 1.00 75.09 C ATOM 20 CD2 LEU A 15 22.063 -27.838 -7.228 1.00 79.52 C ATOM 21 H LEU A 15 24.244 -25.467 -8.120 1.00 0.00 H ATOM 22 N GLU A 16 24.291 -25.233 -11.505 1.00 78.41 N ATOM 23 CA GLU A 16 24.465 -24.743 -12.869 1.00 83.66 C ATOM 24 C GLU A 16 25.566 -25.484 -13.624 1.00 77.42 C ATOM 25 O GLU A 16 25.394 -25.832 -14.793 1.00 65.90 O ATOM 26 CB GLU A 16 24.770 -23.250 -12.852 1.00 87.16 C ATOM 27 CG GLU A 16 24.444 -22.541 -14.150 1.00 90.76 C ATOM 28 CD GLU A 16 24.206 -21.064 -13.933 1.00102.58 C ATOM 29 OE1 GLU A 16 23.247 -20.522 -14.521 1.00112.72 O ATOM 30 OE2 GLU A 16 24.969 -20.453 -13.155 1.00110.36 O ATOM 31 H GLU A 16 24.636 -24.649 -10.717 1.00 0.00 H ATOM 32 N THR A 17 26.700 -25.709 -12.962 1.00 80.11 N ATOM 33 CA THR A 17 27.791 -26.485 -13.563 1.00 75.03 C ATOM 34 C THR A 17 27.346 -27.934 -13.765 1.00 63.30 C ATOM 35 O THR A 17 27.655 -28.553 -14.787 1.00 53.94 O ATOM 36 CB THR A 17 29.089 -26.439 -12.719 1.00 70.99 C ATOM 37 OG1 THR A 17 29.478 -25.076 -12.502 1.00 63.00 O ATOM 38 CG2 THR A 17 30.226 -27.173 -13.439 1.00 57.65 C ATOM 39 HG1 THR A 17 28.756 -24.601 -12.020 1.00 0.00 H ATOM 40 H THR A 17 26.814 -25.328 -12.001 1.00 0.00 H ATOM 41 N VAL A 18 26.611 -28.460 -12.786 1.00 65.11 N ATOM 42 CA VAL A 18 26.059 -29.816 -12.858 1.00 74.80 C ATOM 43 C VAL A 18 25.128 -30.009 -14.066 1.00 83.86 C ATOM 44 O VAL A 18 25.211 -31.024 -14.763 1.00 76.41 O ATOM 45 CB VAL A 18 25.328 -30.200 -11.549 1.00 69.73 C ATOM 46 CG1 VAL A 18 24.646 -31.552 -11.690 1.00 67.78 C ATOM 47 CG2 VAL A 18 26.305 -30.207 -10.381 1.00 59.65 C ATOM 48 H VAL A 18 26.422 -27.887 -11.939 1.00 0.00 H ATOM 49 N GLN A 19 24.257 -29.031 -14.319 1.00 75.35 N ATOM 50 CA GLN A 19 23.341 -29.096 -15.464 1.00 83.70 C ATOM 51 C GLN A 19 24.077 -28.969 -16.802 1.00 76.43 C ATOM 52 O GLN A 19 23.726 -29.632 -17.779 1.00 69.76 O ATOM 53 CB GLN A 19 22.258 -28.018 -15.363 1.00 79.71 C ATOM 54 CG GLN A 19 22.735 -26.624 -15.742 1.00 87.53 C ATOM 55 CD GLN A 19 21.596 -25.692 -16.113 1.00102.36 C ATOM 56 OE1 GLN A 19 21.696 -24.476 -15.946 1.00110.12 O ATOM 57 NE2 GLN A 19 20.507 -26.257 -16.621 1.00 86.53 N ATOM 58 HE22 GLN A 19 20.466 -27.289 -16.745 1.00 0.00 H ATOM 59 HE21 GLN A 19 19.695 -25.668 -16.895 1.00 0.00 H ATOM 60 H GLN A 19 24.226 -28.203 -13.690 1.00 0.00 H ATOM 61 N TYR A 20 25.091 -28.110 -16.842 1.00 73.31 N ATOM 62 CA TYR A 20 25.903 -27.934 -18.048 1.00 72.91 C ATOM 63 C TYR A 20 26.714 -29.191 -18.397 1.00 74.22 C ATOM 64 O TYR A 20 26.792 -29.573 -19.569 1.00 62.42 O ATOM 65 CB TYR A 20 26.819 -26.709 -17.919 1.00 71.03 C ATOM 66 CG TYR A 20 27.932 -26.667 -18.939 1.00 86.49 C ATOM 67 CD1 TYR A 20 27.701 -26.214 -20.232 1.00 89.01 C ATOM 68 CD2 TYR A 20 29.216 -27.088 -18.608 1.00107.20 C ATOM 69 CE1 TYR A 20 28.719 -26.181 -21.168 1.00104.81 C ATOM 70 CE2 TYR A 20 30.240 -27.059 -19.537 1.00123.11 C ATOM 71 CZ TYR A 20 29.988 -26.607 -20.816 1.00121.36 C ATOM 72 OH TYR A 20 31.008 -26.579 -21.744 1.00119.52 O ATOM 73 HH TYR A 20 30.661 -26.231 -22.603 1.00 0.00 H ATOM 74 H TYR A 20 25.313 -27.549 -15.995 1.00 0.00 H ATOM 75 N VAL A 21 27.310 -29.831 -17.387 1.00 70.38 N ATOM 76 CA VAL A 21 28.093 -31.059 -17.609 1.00 60.90 C ATOM 77 C VAL A 21 27.222 -32.256 -18.006 1.00 69.35 C ATOM 78 O VAL A 21 27.567 -33.000 -18.925 1.00 74.91 O ATOM 79 CB VAL A 21 28.969 -31.452 -16.394 1.00 55.03 C ATOM 80 CG1 VAL A 21 29.687 -32.773 -16.672 1.00 46.45 C ATOM 81 CG2 VAL A 21 29.982 -30.354 -16.077 1.00 50.05 C ATOM 82 H VAL A 21 27.219 -29.454 -16.422 1.00 0.00 H ATOM 83 N ARG A 22 26.098 -32.445 -17.320 1.00 68.18 N ATOM 84 CA ARG A 22 25.215 -33.572 -17.628 1.00 85.05 C ATOM 85 C ARG A 22 24.507 -33.431 -18.982 1.00 86.25 C ATOM 86 O ARG A 22 24.046 -34.425 -19.547 1.00 80.98 O ATOM 87 CB ARG A 22 24.189 -33.797 -16.509 1.00 82.19 C ATOM 88 CG ARG A 22 24.806 -34.116 -15.156 1.00 89.82 C ATOM 89 CD ARG A 22 23.797 -34.757 -14.217 1.00 82.33 C ATOM 90 NE ARG A 22 24.260 -34.731 -12.832 1.00 87.17 N ATOM 91 CZ ARG A 22 23.943 -35.645 -11.919 1.00100.90 C ATOM 92 NH1 ARG A 22 23.169 -36.673 -12.249 1.00 79.32 N ATOM 93 NH2 ARG A 22 24.411 -35.541 -10.679 1.00 84.87 N ATOM 94 HE ARG A 22 24.878 -33.947 -12.541 1.00 0.00 H ATOM 95 HH12 ARG A 22 22.921 -37.388 -11.535 1.00 0.00 H ATOM 96 HH11 ARG A 22 22.811 -36.763 -13.221 1.00 0.00 H ATOM 97 HH22 ARG A 22 24.161 -36.257 -9.967 1.00 0.00 H ATOM 98 HH21 ARG A 22 25.027 -34.744 -10.421 1.00 0.00 H ATOM 99 H ARG A 22 25.844 -31.786 -16.557 1.00 0.00 H ATOM 100 N THR A 23 24.428 -32.205 -19.500 1.00 77.68 N ATOM 101 CA THR A 23 23.746 -31.946 -20.777 1.00 83.10 C ATOM 102 C THR A 23 24.716 -31.624 -21.926 1.00 83.83 C ATOM 103 O THR A 23 24.937 -32.451 -22.815 1.00 78.89 O ATOM 104 CB THR A 23 22.690 -30.820 -20.654 1.00 82.40 C ATOM 105 OG1 THR A 23 23.337 -29.576 -20.356 1.00 82.29 O ATOM 106 CG2 THR A 23 21.672 -31.142 -19.556 1.00 67.10 C ATOM 107 HG1 THR A 23 23.829 -29.658 -19.501 1.00 0.00 H ATOM 108 H THR A 23 24.860 -31.410 -18.987 1.00 0.00 H ATOM 109 N HIS A 24 25.286 -30.420 -21.903 1.00 79.60 N ATOM 110 CA HIS A 24 26.230 -29.991 -22.938 1.00 83.47 C ATOM 111 C HIS A 24 27.410 -30.925 -23.035 1.00 76.78 C ATOM 112 O HIS A 24 27.676 -31.483 -24.103 1.00 64.85 O ATOM 113 CB HIS A 24 26.691 -28.550 -22.694 1.00 91.54 C ATOM 114 CG HIS A 24 27.437 -27.931 -23.864 1.00113.73 C ATOM 115 ND1 HIS A 24 28.780 -28.002 -23.992 1.00102.30 N ATOM 116 CD2 HIS A 24 26.976 -27.207 -24.966 1.00108.54 C ATOM 117 CE1 HIS A 24 29.158 -27.364 -25.117 1.00 99.54 C ATOM 118 NE2 HIS A 24 28.053 -26.878 -25.712 1.00107.37 N ATOM 119 H HIS A 24 25.054 -29.766 -21.128 1.00 0.00 H ATOM 120 N HIS A 25 28.126 -31.115 -21.927 1.00 60.32 N ATOM 121 CA HIS A 25 29.293 -32.003 -21.918 1.00 63.51 C ATOM 122 C HIS A 25 28.956 -33.419 -22.310 1.00 52.57 C ATOM 123 O HIS A 25 29.716 -34.061 -23.042 1.00 54.19 O ATOM 124 CB HIS A 25 30.003 -31.981 -20.565 1.00 72.26 C ATOM 125 CG HIS A 25 31.148 -31.004 -20.494 1.00 90.64 C ATOM 126 ND1 HIS A 25 31.055 -29.824 -19.854 1.00 98.07 N ATOM 127 CD2 HIS A 25 32.441 -31.071 -21.012 1.00107.05 C ATOM 128 CE1 HIS A 25 32.226 -29.167 -19.955 1.00106.87 C ATOM 129 NE2 HIS A 25 33.073 -29.932 -20.664 1.00121.84 N ATOM 130 H HIS A 25 27.852 -30.624 -21.052 1.00 0.00 H ATOM 131 N GLN A 26 27.821 -33.933 -21.841 1.00 53.17 N ATOM 132 CA GLN A 26 27.463 -35.308 -22.181 1.00 54.20 C ATOM 133 C GLN A 26 27.251 -35.428 -23.697 1.00 57.85 C ATOM 134 O GLN A 26 27.578 -36.452 -24.303 1.00 48.19 O ATOM 135 CB GLN A 26 26.245 -35.796 -21.381 1.00 62.15 C ATOM 136 CG GLN A 26 25.823 -37.236 -21.681 1.00 57.75 C ATOM 137 CD GLN A 26 26.945 -38.259 -21.512 1.00 63.64 C ATOM 138 OE1 GLN A 26 27.420 -38.521 -20.394 1.00 42.67 O ATOM 139 NE2 GLN A 26 27.355 -38.870 -22.630 1.00 46.85 N ATOM 140 HE22 GLN A 26 26.930 -38.620 -23.545 1.00 0.00 H ATOM 141 HE21 GLN A 26 28.099 -39.595 -22.583 1.00 0.00 H ATOM 142 H GLN A 26 27.195 -33.361 -21.238 1.00 0.00 H ATOM 143 N HIS A 27 26.726 -34.359 -24.295 1.00 52.92 N ATOM 144 CA HIS A 27 26.558 -34.249 -25.747 1.00 59.42 C ATOM 145 C HIS A 27 27.888 -34.347 -26.468 1.00 54.66 C ATOM 146 O HIS A 27 27.954 -34.846 -27.589 1.00 67.88 O ATOM 147 CB HIS A 27 25.872 -32.920 -26.075 1.00 70.41 C ATOM 148 CG HIS A 27 24.958 -32.972 -27.280 1.00 94.08 C ATOM 149 ND1 HIS A 27 25.424 -33.000 -28.545 1.00106.19 N ATOM 150 CD2 HIS A 27 23.566 -32.975 -27.374 1.00 98.09 C ATOM 151 CE1 HIS A 27 24.386 -33.032 -29.405 1.00102.79 C ATOM 152 NE2 HIS A 27 23.250 -33.017 -28.687 1.00106.66 N ATOM 153 H HIS A 27 26.420 -33.562 -23.701 1.00 0.00 H ATOM 154 N LEU A 28 28.963 -33.886 -25.826 1.00 53.08 N ATOM 155 CA LEU A 28 30.309 -33.884 -26.428 1.00 57.01 C ATOM 156 C LEU A 28 31.046 -35.223 -26.328 1.00 58.04 C ATOM 157 O LEU A 28 31.969 -35.491 -27.105 1.00 57.00 O ATOM 158 CB LEU A 28 31.176 -32.778 -25.809 1.00 54.26 C ATOM 159 CG LEU A 28 30.690 -31.359 -26.075 1.00 51.07 C ATOM 160 CD1 LEU A 28 31.437 -30.352 -25.209 1.00 54.59 C ATOM 161 CD2 LEU A 28 30.834 -31.044 -27.555 1.00 47.29 C ATOM 162 H LEU A 28 28.847 -33.513 -24.862 1.00 0.00 H ATOM 163 N CYS A 29 30.640 -36.061 -25.376 1.00 52.13 N ATOM 164 CA CYS A 29 31.288 -37.358 -25.156 1.00 47.56 C ATOM 165 C CYS A 29 31.243 -38.257 -26.374 1.00 49.21 C ATOM 166 O CYS A 29 30.281 -38.220 -27.131 1.00 43.74 O ATOM 167 CB CYS A 29 30.580 -38.111 -24.038 1.00 48.65 C ATOM 168 SG CYS A 29 31.010 -37.525 -22.406 1.00 47.34 S ATOM 169 H CYS A 29 29.840 -35.788 -24.771 1.00 0.00 H ATOM 170 N ARG A 30 32.265 -39.098 -26.518 1.00 47.37 N ATOM 171 CA ARG A 30 32.240 -40.211 -27.456 1.00 45.69 C ATOM 172 C ARG A 30 31.105 -41.148 -27.051 1.00 53.09 C ATOM 173 O ARG A 30 30.695 -41.166 -25.888 1.00 48.52 O ATOM 174 CB ARG A 30 33.573 -40.962 -27.405 1.00 50.18 C ATOM 175 CG ARG A 30 34.774 -40.161 -27.887 1.00 54.56 C ATOM 176 CD ARG A 30 36.038 -40.600 -27.163 1.00 63.52 C ATOM 177 NE ARG A 30 36.012 -42.027 -26.870 1.00 85.85 N ATOM 178 CZ ARG A 30 36.544 -42.579 -25.783 1.00 86.78 C ATOM 179 NH1 ARG A 30 37.149 -41.821 -24.874 1.00 82.50 N ATOM 180 NH2 ARG A 30 36.467 -43.890 -25.602 1.00 77.34 N ATOM 181 HE ARG A 30 35.547 -42.655 -27.556 1.00 0.00 H ATOM 182 HH12 ARG A 30 37.563 -42.257 -24.026 1.00 0.00 H ATOM 183 HH11 ARG A 30 37.208 -40.792 -25.011 1.00 0.00 H ATOM 184 HH22 ARG A 30 36.882 -44.323 -24.753 1.00 0.00 H ATOM 185 HH21 ARG A 30 35.991 -44.486 -26.309 1.00 0.00 H ATOM 186 H ARG A 30 33.115 -38.954 -25.937 1.00 0.00 H ATOM 187 N GLU A 31 30.582 -41.930 -27.987 1.00 49.99 N ATOM 188 CA GLU A 31 29.441 -42.757 -27.634 1.00 52.80 C ATOM 189 C GLU A 31 29.772 -43.693 -26.463 1.00 42.73 C ATOM 190 O GLU A 31 28.891 -44.049 -25.685 1.00 51.15 O ATOM 191 CB GLU A 31 28.929 -43.553 -28.843 1.00 48.66 C ATOM 192 CG GLU A 31 27.663 -44.346 -28.549 1.00 55.91 C ATOM 193 CD GLU A 31 27.137 -45.055 -29.783 1.00 60.93 C ATOM 194 OE1 GLU A 31 27.405 -44.557 -30.893 1.00 43.85 O ATOM 195 OE2 GLU A 31 26.470 -46.102 -29.640 1.00 82.06 O ATOM 196 H GLU A 31 30.979 -41.950 -28.948 1.00 0.00 H ATOM 197 N ASN A 32 31.041 -44.094 -26.355 1.00 45.32 N ATOM 198 CA ASN A 32 31.471 -45.047 -25.319 1.00 42.25 C ATOM 199 C ASN A 32 32.110 -44.306 -24.126 1.00 37.09 C ATOM 200 O ASN A 32 33.049 -44.802 -23.508 1.00 34.76 O ATOM 201 CB ASN A 32 32.504 -46.004 -25.896 1.00 43.67 C ATOM 202 CG ASN A 32 33.785 -45.288 -26.262 1.00 49.94 C ATOM 203 OD1 ASN A 32 33.764 -44.098 -26.569 1.00 61.38 O ATOM 204 ND2 ASN A 32 34.909 -45.991 -26.188 1.00 62.07 N ATOM 205 HD22 ASN A 32 34.877 -46.996 -25.924 1.00 0.00 H ATOM 206 HD21 ASN A 32 35.821 -45.536 -26.394 1.00 0.00 H ATOM 207 H ASN A 32 31.746 -43.722 -27.023 1.00 0.00 H ATOM 208 N GLN A 33 31.625 -43.108 -23.852 1.00 35.98 N ATOM 209 CA GLN A 33 32.175 -42.280 -22.777 1.00 39.50 C ATOM 210 C GLN A 33 31.022 -41.599 -22.066 1.00 36.64 C ATOM 211 O GLN A 33 29.993 -41.346 -22.672 1.00 34.23 O ATOM 212 CB GLN A 33 33.085 -41.262 -23.430 1.00 42.41 C ATOM 213 CG GLN A 33 33.853 -40.321 -22.546 1.00 40.57 C ATOM 214 CD GLN A 33 34.771 -39.468 -23.412 1.00 54.96 C ATOM 215 OE1 GLN A 33 34.310 -38.766 -24.313 1.00 50.31 O ATOM 216 NE2 GLN A 33 36.068 -39.566 -23.179 1.00 41.00 N ATOM 217 HE22 GLN A 33 36.413 -40.171 -22.407 1.00 0.00 H ATOM 218 HE21 GLN A 33 36.743 -39.038 -23.768 1.00 0.00 H ATOM 219 H GLN A 33 30.831 -42.743 -24.415 1.00 0.00 H ATOM 220 N CYS A 34 31.165 -41.327 -20.767 1.00 33.74 N ATOM 221 CA CYS A 34 30.129 -40.636 -20.041 1.00 32.26 C ATOM 222 C CYS A 34 30.749 -39.575 -19.134 1.00 32.36 C ATOM 223 O CYS A 34 31.949 -39.599 -18.852 1.00 29.50 O ATOM 224 CB CYS A 34 29.264 -41.618 -19.236 1.00 34.29 C ATOM 225 SG CYS A 34 30.129 -42.418 -17.862 1.00 35.59 S ATOM 226 H CYS A 34 32.033 -41.617 -20.273 1.00 0.00 H ATOM 227 N THR A 35 29.930 -38.645 -18.671 1.00 29.56 N ATOM 228 CA THR A 35 30.460 -37.555 -17.868 1.00 30.93 C ATOM 229 C THR A 35 29.396 -37.079 -16.892 1.00 35.20 C ATOM 230 O THR A 35 28.204 -37.097 -17.208 1.00 33.24 O ATOM 231 CB THR A 35 30.916 -36.390 -18.773 1.00 32.86 C ATOM 232 OG1 THR A 35 31.534 -35.386 -17.975 1.00 32.08 O ATOM 233 CG2 THR A 35 29.718 -35.763 -19.514 1.00 33.06 C ATOM 234 HG1 THR A 35 32.319 -35.772 -17.511 1.00 0.00 H ATOM 235 H THR A 35 28.912 -38.693 -18.880 1.00 0.00 H ATOM 236 N SER A 36 29.807 -36.687 -15.692 1.00 28.95 N ATOM 237 CA SER A 36 28.868 -36.064 -14.778 1.00 32.42 C ATOM 238 C SER A 36 29.636 -35.143 -13.827 1.00 30.96 C ATOM 239 O SER A 36 30.877 -35.004 -13.931 1.00 28.17 O ATOM 240 CB SER A 36 28.052 -37.138 -14.037 1.00 32.35 C ATOM 241 OG SER A 36 27.017 -36.560 -13.273 1.00 36.72 O ATOM 242 HG SER A 36 26.512 -37.274 -12.810 1.00 0.00 H ATOM 243 H SER A 36 30.798 -36.826 -15.408 1.00 0.00 H ATOM 244 N ALA A 37 28.896 -34.477 -12.949 1.00 29.87 N ATOM 245 CA ALA A 37 29.480 -33.574 -11.956 1.00 28.06 C ATOM 246 C ALA A 37 28.686 -33.728 -10.664 1.00 33.82 C ATOM 247 O ALA A 37 27.461 -33.973 -10.698 1.00 31.05 O ATOM 248 CB ALA A 37 29.430 -32.136 -12.453 1.00 31.79 C ATOM 249 H ALA A 37 27.864 -34.601 -12.967 1.00 0.00 H ATOM 250 N LEU A 38 29.383 -33.602 -9.539 1.00 26.82 N ATOM 251 CA LEU A 38 28.775 -33.646 -8.224 1.00 29.15 C ATOM 252 C LEU A 38 29.106 -32.342 -7.493 1.00 32.19 C ATOM 253 O LEU A 38 30.221 -31.826 -7.613 1.00 29.70 O ATOM 254 CB LEU A 38 29.350 -34.827 -7.430 1.00 29.07 C ATOM 255 CG LEU A 38 29.054 -36.285 -7.832 1.00 32.82 C ATOM 256 CD1 LEU A 38 27.549 -36.528 -7.890 1.00 37.86 C ATOM 257 CD2 LEU A 38 29.722 -36.676 -9.152 1.00 33.50 C ATOM 258 H LEU A 38 30.412 -33.466 -9.606 1.00 0.00 H ATOM 259 N VAL A 39 28.155 -31.815 -6.724 1.00 27.31 N ATOM 260 CA VAL A 39 28.427 -30.633 -5.924 1.00 31.80 C ATOM 261 C VAL A 39 28.298 -31.003 -4.450 1.00 33.59 C ATOM 262 O VAL A 39 27.442 -31.821 -4.095 1.00 34.88 O ATOM 263 CB VAL A 39 27.447 -29.501 -6.266 1.00 34.85 C ATOM 264 CG1 VAL A 39 27.677 -28.298 -5.343 1.00 34.97 C ATOM 265 CG2 VAL A 39 27.607 -29.105 -7.726 1.00 39.43 C ATOM 266 H VAL A 39 27.212 -32.252 -6.696 1.00 0.00 H ATOM 267 N LYS A 40 29.140 -30.430 -3.592 1.00 27.39 N ATOM 268 CA LYS A 40 28.983 -30.635 -2.152 1.00 29.83 C ATOM 269 C LYS A 40 29.242 -29.312 -1.409 1.00 34.07 C ATOM 270 O LYS A 40 30.266 -28.649 -1.640 1.00 29.23 O ATOM 271 CB LYS A 40 29.936 -31.729 -1.649 1.00 31.40 C ATOM 272 CG LYS A 40 29.838 -32.008 -0.148 1.00 31.61 C ATOM 273 CD LYS A 40 28.642 -32.919 0.112 1.00 37.26 C ATOM 274 CE LYS A 40 28.436 -33.152 1.597 1.00 42.65 C ATOM 275 NZ LYS A 40 27.464 -32.165 2.122 1.00 45.49 N ATOM 276 HZ1 LYS A 40 27.831 -31.204 1.969 1.00 0.00 H ATOM 277 HZ2 LYS A 40 26.557 -32.275 1.624 1.00 0.00 H ATOM 278 HZ3 LYS A 40 27.324 -32.326 3.140 1.00 0.00 H ATOM 279 H LYS A 40 29.914 -29.833 -3.948 1.00 0.00 H ATOM 280 N HIS A 41 28.317 -28.935 -0.523 1.00 31.65 N ATOM 281 CA HIS A 41 28.489 -27.764 0.337 1.00 32.11 C ATOM 282 C HIS A 41 28.994 -28.210 1.665 1.00 33.31 C ATOM 283 O HIS A 41 28.541 -29.220 2.197 1.00 36.03 O ATOM 284 CB HIS A 41 27.170 -26.994 0.481 1.00 34.52 C ATOM 285 CG HIS A 41 26.709 -26.399 -0.816 1.00 36.62 C ATOM 286 ND1 HIS A 41 27.077 -25.173 -1.213 1.00 38.96 N ATOM 287 CD2 HIS A 41 25.966 -26.944 -1.853 1.00 38.12 C ATOM 288 CE1 HIS A 41 26.569 -24.930 -2.436 1.00 40.51 C ATOM 289 NE2 HIS A 41 25.879 -26.010 -2.821 1.00 39.99 N ATOM 290 H HIS A 41 27.443 -29.493 -0.441 1.00 0.00 H ATOM 291 N ILE A 42 29.966 -27.477 2.203 1.00 32.19 N ATOM 292 CA ILE A 42 30.697 -27.925 3.368 1.00 30.72 C ATOM 293 C ILE A 42 30.809 -26.734 4.314 1.00 34.89 C ATOM 294 O ILE A 42 31.258 -25.655 3.906 1.00 34.17 O ATOM 295 CB ILE A 42 32.134 -28.366 2.986 1.00 28.57 C ATOM 296 CG1 ILE A 42 32.077 -29.449 1.893 1.00 26.81 C ATOM 297 CG2 ILE A 42 32.910 -28.809 4.231 1.00 30.67 C ATOM 298 CD1 ILE A 42 33.445 -29.996 1.496 1.00 26.99 C ATOM 299 H ILE A 42 30.206 -26.560 1.775 1.00 0.00 H ATOM 300 N LYS A 43 30.395 -26.931 5.562 1.00 32.60 N ATOM 301 CA LYS A 43 30.434 -25.860 6.565 1.00 38.31 C ATOM 302 C LYS A 43 31.821 -25.733 7.208 1.00 37.21 C ATOM 303 O LYS A 43 31.991 -25.987 8.401 1.00 35.36 O ATOM 304 CB LYS A 43 29.347 -26.074 7.639 1.00 35.78 C ATOM 305 H LYS A 43 30.034 -27.868 5.834 1.00 0.00 H ATOM 306 N ALA A 44 32.817 -25.359 6.396 1.00 34.03 N ATOM 307 CA ALA A 44 34.190 -25.183 6.844 1.00 33.97 C ATOM 308 C ALA A 44 34.845 -24.174 5.913 1.00 34.21 C ATOM 309 O ALA A 44 34.434 -24.052 4.756 1.00 33.66 O ATOM 310 CB ALA A 44 34.948 -26.509 6.806 1.00 33.21 C ATOM 311 H ALA A 44 32.598 -25.185 5.394 1.00 0.00 H ATOM 312 N PRO A 45 35.859 -23.440 6.413 1.00 35.18 N ATOM 313 CA PRO A 45 36.568 -22.456 5.593 1.00 34.71 C ATOM 314 C PRO A 45 37.301 -23.153 4.477 1.00 32.77 C ATOM 315 O PRO A 45 37.767 -24.268 4.659 1.00 28.97 O ATOM 316 CB PRO A 45 37.601 -21.830 6.549 1.00 35.29 C ATOM 317 CG PRO A 45 37.341 -22.400 7.902 1.00 41.56 C ATOM 318 CD PRO A 45 36.397 -23.553 7.780 1.00 37.64 C ATOM 319 N LEU A 46 37.438 -22.465 3.352 1.00 31.48 N ATOM 320 CA LEU A 46 38.045 -23.037 2.159 1.00 31.83 C ATOM 321 C LEU A 46 39.468 -23.541 2.417 1.00 33.79 C ATOM 322 O LEU A 46 39.868 -24.563 1.857 1.00 27.51 O ATOM 323 CB LEU A 46 37.994 -22.015 1.012 1.00 32.54 C ATOM 324 CG LEU A 46 38.651 -22.471 -0.288 1.00 31.10 C ATOM 325 CD1 LEU A 46 37.989 -21.764 -1.449 1.00 35.91 C ATOM 326 CD2 LEU A 46 40.141 -22.205 -0.245 1.00 35.88 C ATOM 327 H LEU A 46 37.100 -21.482 3.321 1.00 0.00 H ATOM 328 N HIS A 47 40.223 -22.856 3.288 1.00 31.21 N ATOM 329 CA HIS A 47 41.589 -23.290 3.571 1.00 30.79 C ATOM 330 C HIS A 47 41.663 -24.706 4.077 1.00 28.48 C ATOM 331 O HIS A 47 42.552 -25.443 3.704 1.00 28.19 O ATOM 332 CB HIS A 47 42.307 -22.367 4.576 1.00 36.01 C ATOM 333 CG HIS A 47 43.680 -22.877 4.985 1.00 40.16 C ATOM 334 ND1 HIS A 47 43.949 -23.337 6.233 1.00 45.66 N ATOM 335 CD2 HIS A 47 44.876 -22.985 4.258 1.00 35.96 C ATOM 336 CE1 HIS A 47 45.256 -23.719 6.301 1.00 35.31 C ATOM 337 NE2 HIS A 47 45.819 -23.498 5.093 1.00 42.36 N ATOM 338 H HIS A 47 39.836 -22.015 3.762 1.00 0.00 H ATOM 339 N LEU A 48 40.746 -25.087 4.954 1.00 30.79 N ATOM 340 CA LEU A 48 40.697 -26.452 5.492 1.00 29.36 C ATOM 341 C LEU A 48 40.325 -27.484 4.409 1.00 29.89 C ATOM 342 O LEU A 48 40.979 -28.517 4.250 1.00 28.77 O ATOM 343 CB LEU A 48 39.645 -26.519 6.611 1.00 34.33 C ATOM 344 CG LEU A 48 40.016 -26.499 8.093 1.00 48.00 C ATOM 345 CD1 LEU A 48 38.761 -26.349 8.943 1.00 43.96 C ATOM 346 CD2 LEU A 48 40.721 -27.799 8.432 1.00 64.45 C ATOM 347 H LEU A 48 40.037 -24.396 5.272 1.00 0.00 H ATOM 348 N VAL A 49 39.283 -27.195 3.654 1.00 26.35 N ATOM 349 CA VAL A 49 38.855 -28.139 2.601 1.00 28.22 C ATOM 350 C VAL A 49 39.949 -28.302 1.536 1.00 26.65 C ATOM 351 O VAL A 49 40.260 -29.407 1.094 1.00 25.96 O ATOM 352 CB VAL A 49 37.539 -27.681 1.963 1.00 29.22 C ATOM 353 CG1 VAL A 49 37.121 -28.618 0.832 1.00 30.14 C ATOM 354 CG2 VAL A 49 36.442 -27.569 3.030 1.00 28.22 C ATOM 355 H VAL A 49 38.764 -26.305 3.799 1.00 0.00 H ATOM 356 N TRP A 50 40.537 -27.184 1.121 1.00 25.20 N ATOM 357 CA TRP A 50 41.571 -27.217 0.095 1.00 28.11 C ATOM 358 C TRP A 50 42.805 -27.932 0.575 1.00 27.06 C ATOM 359 O TRP A 50 43.413 -28.696 -0.175 1.00 24.60 O ATOM 360 CB TRP A 50 41.905 -25.793 -0.382 1.00 26.92 C ATOM 361 CG TRP A 50 42.966 -25.793 -1.432 1.00 25.72 C ATOM 362 CD1 TRP A 50 44.247 -25.215 -1.361 1.00 27.82 C ATOM 363 CD2 TRP A 50 42.894 -26.425 -2.744 1.00 26.11 C ATOM 364 NE1 TRP A 50 44.934 -25.453 -2.515 1.00 27.53 N ATOM 365 CE2 TRP A 50 44.173 -26.163 -3.395 1.00 25.81 C ATOM 366 CE3 TRP A 50 41.917 -27.155 -3.426 1.00 27.99 C ATOM 367 CZ2 TRP A 50 44.467 -26.647 -4.662 1.00 26.17 C ATOM 368 CZ3 TRP A 50 42.210 -27.616 -4.712 1.00 24.21 C ATOM 369 CH2 TRP A 50 43.471 -27.372 -5.310 1.00 27.31 C ATOM 370 HE1 TRP A 50 45.907 -25.136 -2.699 1.00 0.00 H ATOM 371 H TRP A 50 40.255 -26.273 1.535 1.00 0.00 H ATOM 372 N SER A 51 43.184 -27.712 1.834 1.00 25.92 N ATOM 373 CA SER A 51 44.340 -28.400 2.406 1.00 23.15 C ATOM 374 C SER A 51 44.192 -29.926 2.368 1.00 23.03 C ATOM 375 O SER A 51 45.205 -30.640 2.296 1.00 25.39 O ATOM 376 CB SER A 51 44.621 -27.958 3.847 1.00 25.28 C ATOM 377 OG SER A 51 45.135 -26.626 3.896 1.00 29.73 O ATOM 378 HG SER A 51 44.474 -26.004 3.500 1.00 0.00 H ATOM 379 H SER A 51 42.648 -27.040 2.419 1.00 0.00 H ATOM 380 N LEU A 52 42.958 -30.427 2.421 1.00 26.18 N ATOM 381 CA LEU A 52 42.747 -31.908 2.348 1.00 24.67 C ATOM 382 C LEU A 52 42.786 -32.414 0.909 1.00 26.20 C ATOM 383 O LEU A 52 43.447 -33.399 0.588 1.00 28.40 O ATOM 384 CB LEU A 52 41.394 -32.293 2.968 1.00 27.52 C ATOM 385 CG LEU A 52 41.327 -32.044 4.475 1.00 26.99 C ATOM 386 CD1 LEU A 52 39.869 -32.085 4.948 1.00 29.69 C ATOM 387 CD2 LEU A 52 42.172 -33.069 5.206 1.00 30.35 C ATOM 388 H LEU A 52 42.142 -29.789 2.513 1.00 0.00 H ATOM 389 N VAL A 53 42.057 -31.724 0.044 1.00 24.10 N ATOM 390 CA VAL A 53 41.904 -32.138 -1.354 1.00 27.28 C ATOM 391 C VAL A 53 43.199 -32.085 -2.133 1.00 25.24 C ATOM 392 O VAL A 53 43.464 -32.922 -3.011 1.00 24.37 O ATOM 393 CB VAL A 53 40.845 -31.211 -1.995 1.00 32.45 C ATOM 394 CG1 VAL A 53 41.001 -31.168 -3.497 1.00 49.55 C ATOM 395 CG2 VAL A 53 39.482 -31.725 -1.577 1.00 31.01 C ATOM 396 H VAL A 53 41.577 -30.860 0.368 1.00 0.00 H ATOM 397 N ARG A 54 44.055 -31.128 -1.787 1.00 21.98 N ATOM 398 CA ARG A 54 45.272 -30.901 -2.569 1.00 23.88 C ATOM 399 C ARG A 54 46.373 -31.910 -2.324 1.00 25.09 C ATOM 400 O ARG A 54 47.375 -31.931 -3.052 1.00 24.41 O ATOM 401 CB ARG A 54 45.836 -29.497 -2.300 1.00 28.05 C ATOM 402 CG ARG A 54 46.457 -29.362 -0.900 1.00 24.24 C ATOM 403 CD ARG A 54 46.800 -27.913 -0.609 1.00 25.73 C ATOM 404 NE ARG A 54 47.996 -27.477 -1.327 1.00 25.46 N ATOM 405 CZ ARG A 54 49.238 -27.711 -0.940 1.00 30.54 C ATOM 406 NH1 ARG A 54 49.475 -28.416 0.171 1.00 27.10 N ATOM 407 NH2 ARG A 54 50.263 -27.214 -1.663 1.00 31.54 N ATOM 408 HE ARG A 54 47.860 -26.942 -2.209 1.00 0.00 H ATOM 409 HH12 ARG A 54 50.454 -28.598 0.472 1.00 0.00 H ATOM 410 HH11 ARG A 54 48.681 -28.782 0.734 1.00 0.00 H ATOM 411 HH22 ARG A 54 51.244 -27.393 -1.366 1.00 0.00 H ATOM 412 HH21 ARG A 54 50.073 -26.652 -2.517 1.00 0.00 H ATOM 413 H ARG A 54 43.859 -30.536 -0.955 1.00 0.00 H ATOM 414 N ARG A 55 46.228 -32.713 -1.276 1.00 26.94 N ATOM 415 CA ARG A 55 47.280 -33.660 -0.912 1.00 31.40 C ATOM 416 C ARG A 55 47.178 -34.894 -1.781 1.00 31.73 C ATOM 417 O ARG A 55 46.569 -35.890 -1.378 1.00 28.25 O ATOM 418 CB ARG A 55 47.136 -34.083 0.555 1.00 38.14 C ATOM 419 CG ARG A 55 47.437 -32.987 1.551 1.00 44.74 C ATOM 420 CD ARG A 55 48.908 -32.640 1.477 1.00 48.15 C ATOM 421 NE ARG A 55 49.721 -33.658 2.130 1.00 66.47 N ATOM 422 CZ ARG A 55 51.022 -33.826 1.931 1.00 57.15 C ATOM 423 NH1 ARG A 55 51.681 -33.050 1.077 1.00 89.65 N ATOM 424 NH2 ARG A 55 51.664 -34.781 2.585 1.00 63.05 N ATOM 425 HE ARG A 55 49.248 -34.298 2.799 1.00 0.00 H ATOM 426 HH12 ARG A 55 52.701 -33.190 0.928 1.00 0.00 H ATOM 427 HH11 ARG A 55 51.177 -32.303 0.558 1.00 0.00 H ATOM 428 HH22 ARG A 55 52.684 -34.919 2.435 1.00 0.00 H ATOM 429 HH21 ARG A 55 51.149 -35.393 3.249 1.00 0.00 H ATOM 430 H ARG A 55 45.357 -32.667 -0.709 1.00 0.00 H ATOM 431 N PHE A 56 47.818 -34.838 -2.946 1.00 29.87 N ATOM 432 CA PHE A 56 47.769 -35.922 -3.933 1.00 27.95 C ATOM 433 C PHE A 56 48.340 -37.198 -3.306 1.00 26.94 C ATOM 434 O PHE A 56 47.955 -38.299 -3.666 1.00 26.65 O ATOM 435 CB PHE A 56 48.550 -35.486 -5.196 1.00 27.67 C ATOM 436 CG PHE A 56 48.602 -36.525 -6.282 1.00 30.55 C ATOM 437 CD1 PHE A 56 47.470 -36.811 -7.062 1.00 27.94 C ATOM 438 CD2 PHE A 56 49.782 -37.216 -6.531 1.00 31.23 C ATOM 439 CE1 PHE A 56 47.528 -37.771 -8.060 1.00 27.87 C ATOM 440 CE2 PHE A 56 49.841 -38.189 -7.525 1.00 27.54 C ATOM 441 CZ PHE A 56 48.719 -38.461 -8.287 1.00 27.20 C ATOM 442 H PHE A 56 48.377 -33.989 -3.166 1.00 0.00 H ATOM 443 N ASP A 57 49.263 -37.043 -2.352 1.00 27.60 N ATOM 444 CA ASP A 57 49.922 -38.200 -1.758 1.00 26.93 C ATOM 445 C ASP A 57 49.184 -38.782 -0.558 1.00 30.06 C ATOM 446 O ASP A 57 49.544 -39.854 -0.078 1.00 30.70 O ATOM 447 CB ASP A 57 51.355 -37.841 -1.359 1.00 33.65 C ATOM 448 CG ASP A 57 51.412 -36.687 -0.351 1.00 35.71 C ATOM 449 OD1 ASP A 57 52.250 -36.758 0.551 1.00 46.91 O ATOM 450 OD2 ASP A 57 50.618 -35.722 -0.461 1.00 39.86 O ATOM 451 H ASP A 57 49.514 -36.087 -2.030 1.00 0.00 H ATOM 452 N GLN A 58 48.129 -38.101 -0.099 1.00 26.93 N ATOM 453 CA GLN A 58 47.358 -38.570 1.046 1.00 28.40 C ATOM 454 C GLN A 58 45.833 -38.590 0.845 1.00 25.30 C ATOM 455 O GLN A 58 45.084 -38.039 1.664 1.00 27.21 O ATOM 456 CB GLN A 58 47.730 -37.748 2.277 1.00 29.75 C ATOM 457 CG GLN A 58 49.231 -37.798 2.551 1.00 35.29 C ATOM 458 CD GLN A 58 49.613 -37.153 3.865 1.00 61.70 C ATOM 459 OE1 GLN A 58 48.883 -36.316 4.396 1.00 59.84 O ATOM 460 NE2 GLN A 58 50.770 -37.535 4.396 1.00 60.80 N ATOM 461 HE22 GLN A 58 51.355 -38.246 3.912 1.00 0.00 H ATOM 462 HE21 GLN A 58 51.091 -37.123 5.296 1.00 0.00 H ATOM 463 H GLN A 58 47.852 -37.216 -0.570 1.00 0.00 H ATOM 464 N PRO A 59 45.361 -39.277 -0.218 1.00 24.66 N ATOM 465 CA PRO A 59 43.910 -39.316 -0.454 1.00 25.13 C ATOM 466 C PRO A 59 43.178 -39.997 0.692 1.00 28.99 C ATOM 467 O PRO A 59 42.016 -39.687 0.933 1.00 28.47 O ATOM 468 CB PRO A 59 43.765 -40.158 -1.744 1.00 25.00 C ATOM 469 CG PRO A 59 45.081 -40.918 -1.871 1.00 24.13 C ATOM 470 CD PRO A 59 46.124 -39.986 -1.269 1.00 25.37 C ATOM 471 N GLN A 60 43.868 -40.896 1.390 1.00 28.43 N ATOM 472 CA GLN A 60 43.255 -41.695 2.451 1.00 34.06 C ATOM 473 C GLN A 60 42.889 -40.889 3.700 1.00 34.33 C ATOM 474 O GLN A 60 42.231 -41.412 4.601 1.00 37.57 O ATOM 475 CB GLN A 60 44.132 -42.914 2.806 1.00 31.06 C ATOM 476 CG GLN A 60 45.354 -42.633 3.678 1.00 32.10 C ATOM 477 CD GLN A 60 46.448 -41.844 2.991 1.00 39.71 C ATOM 478 OE1 GLN A 60 46.468 -41.697 1.765 1.00 34.34 O ATOM 479 NE2 GLN A 60 47.375 -41.320 3.791 1.00 51.44 N ATOM 480 HE22 GLN A 60 47.319 -41.469 4.819 1.00 0.00 H ATOM 481 HE21 GLN A 60 48.155 -40.762 3.388 1.00 0.00 H ATOM 482 H GLN A 60 44.876 -41.035 1.174 1.00 0.00 H ATOM 483 N LYS A 61 43.274 -39.617 3.750 1.00 30.49 N ATOM 484 CA LYS A 61 42.809 -38.754 4.832 1.00 33.62 C ATOM 485 C LYS A 61 41.334 -38.399 4.692 1.00 38.91 C ATOM 486 O LYS A 61 40.732 -37.901 5.651 1.00 34.65 O ATOM 487 CB LYS A 61 43.604 -37.452 4.935 1.00 32.69 C ATOM 488 CG LYS A 61 45.097 -37.614 5.160 1.00 39.69 C ATOM 489 CD LYS A 61 45.390 -38.390 6.425 1.00 42.87 C ATOM 490 CE LYS A 61 46.892 -38.405 6.689 1.00 50.74 C ATOM 491 NZ LYS A 61 47.199 -39.302 7.831 1.00 59.33 N ATOM 492 HZ1 LYS A 61 46.706 -38.961 8.681 1.00 0.00 H ATOM 493 HZ2 LYS A 61 46.881 -40.267 7.608 1.00 0.00 H ATOM 494 HZ3 LYS A 61 48.225 -39.305 8.002 1.00 0.00 H ATOM 495 H LYS A 61 43.907 -39.237 3.018 1.00 0.00 H ATOM 496 N TYR A 62 40.742 -38.612 3.513 1.00 31.29 N ATOM 497 CA TYR A 62 39.292 -38.432 3.407 1.00 30.07 C ATOM 498 C TYR A 62 38.591 -39.415 2.478 1.00 28.67 C ATOM 499 O TYR A 62 37.386 -39.582 2.606 1.00 28.26 O ATOM 500 CB TYR A 62 38.904 -36.992 3.022 1.00 29.75 C ATOM 501 CG TYR A 62 39.182 -36.629 1.571 1.00 30.27 C ATOM 502 CD1 TYR A 62 38.200 -36.775 0.596 1.00 30.44 C ATOM 503 CD2 TYR A 62 40.429 -36.126 1.189 1.00 29.55 C ATOM 504 CE1 TYR A 62 38.439 -36.445 -0.726 1.00 29.73 C ATOM 505 CE2 TYR A 62 40.688 -35.788 -0.132 1.00 31.30 C ATOM 506 CZ TYR A 62 39.696 -35.950 -1.084 1.00 30.31 C ATOM 507 OH TYR A 62 39.948 -35.610 -2.391 1.00 30.04 O ATOM 508 HH TYR A 62 39.142 -35.786 -2.938 1.00 0.00 H ATOM 509 H TYR A 62 41.301 -38.901 2.685 1.00 0.00 H ATOM 510 N LYS A 63 39.315 -40.052 1.543 1.00 24.18 N ATOM 511 CA LYS A 63 38.643 -41.011 0.661 1.00 25.11 C ATOM 512 C LYS A 63 38.436 -42.328 1.401 1.00 26.85 C ATOM 513 O LYS A 63 39.407 -42.983 1.782 1.00 28.42 O ATOM 514 CB LYS A 63 39.459 -41.251 -0.630 1.00 26.22 C ATOM 515 CG LYS A 63 39.635 -39.988 -1.473 1.00 26.42 C ATOM 516 CD LYS A 63 40.126 -40.368 -2.884 1.00 31.04 C ATOM 517 CE LYS A 63 40.441 -39.117 -3.696 1.00 29.25 C ATOM 518 NZ LYS A 63 40.860 -39.454 -5.093 1.00 28.93 N ATOM 519 HZ1 LYS A 63 41.712 -40.049 -5.064 1.00 0.00 H ATOM 520 HZ2 LYS A 63 40.092 -39.969 -5.569 1.00 0.00 H ATOM 521 HZ3 LYS A 63 41.065 -38.577 -5.613 1.00 0.00 H ATOM 522 H LYS A 63 40.334 -39.868 1.446 1.00 0.00 H ATOM 523 N PRO A 64 37.164 -42.724 1.601 1.00 28.10 N ATOM 524 CA PRO A 64 36.856 -43.860 2.476 1.00 28.43 C ATOM 525 C PRO A 64 37.308 -45.221 1.981 1.00 27.83 C ATOM 526 O PRO A 64 37.456 -46.116 2.784 1.00 29.04 O ATOM 527 CB PRO A 64 35.315 -43.810 2.612 1.00 33.11 C ATOM 528 CG PRO A 64 34.847 -42.975 1.473 1.00 30.60 C ATOM 529 CD PRO A 64 35.954 -41.989 1.189 1.00 26.49 C ATOM 530 N PHE A 65 37.540 -45.392 0.680 1.00 26.35 N ATOM 531 CA PHE A 65 37.901 -46.715 0.159 1.00 24.20 C ATOM 532 C PHE A 65 39.398 -46.907 -0.094 1.00 25.80 C ATOM 533 O PHE A 65 39.817 -47.979 -0.517 1.00 29.37 O ATOM 534 CB PHE A 65 37.105 -47.026 -1.117 1.00 28.72 C ATOM 535 CG PHE A 65 35.612 -46.909 -0.918 1.00 30.04 C ATOM 536 CD1 PHE A 65 34.972 -47.686 0.036 1.00 35.34 C ATOM 537 CD2 PHE A 65 34.878 -45.985 -1.634 1.00 27.12 C ATOM 538 CE1 PHE A 65 33.613 -47.560 0.251 1.00 38.96 C ATOM 539 CE2 PHE A 65 33.515 -45.848 -1.426 1.00 29.99 C ATOM 540 CZ PHE A 65 32.885 -46.628 -0.473 1.00 30.47 C ATOM 541 H PHE A 65 37.465 -44.583 0.031 1.00 0.00 H ATOM 542 N VAL A 66 40.197 -45.886 0.175 1.00 25.87 N ATOM 543 CA VAL A 66 41.638 -46.011 -0.041 1.00 25.78 C ATOM 544 C VAL A 66 42.303 -46.583 1.205 1.00 29.86 C ATOM 545 O VAL A 66 42.170 -46.018 2.280 1.00 32.06 O ATOM 546 CB VAL A 66 42.273 -44.660 -0.381 1.00 27.09 C ATOM 547 CG1 VAL A 66 43.793 -44.803 -0.500 1.00 29.17 C ATOM 548 CG2 VAL A 66 41.689 -44.138 -1.692 1.00 28.78 C ATOM 549 H VAL A 66 39.800 -44.996 0.539 1.00 0.00 H ATOM 550 N SER A 67 42.979 -47.721 1.052 1.00 28.46 N ATOM 551 CA SER A 67 43.650 -48.369 2.176 1.00 34.10 C ATOM 552 C SER A 67 45.106 -47.966 2.219 1.00 36.63 C ATOM 553 O SER A 67 45.732 -47.956 3.280 1.00 39.77 O ATOM 554 CB SER A 67 43.534 -49.890 2.079 1.00 33.53 C ATOM 555 OG SER A 67 44.016 -50.344 0.828 1.00 42.66 O ATOM 556 HG SER A 67 43.484 -49.933 0.102 1.00 0.00 H ATOM 557 H SER A 67 43.030 -48.158 0.110 1.00 0.00 H ATOM 558 N ARG A 68 45.657 -47.603 1.071 1.00 31.68 N ATOM 559 CA ARG A 68 47.092 -47.321 1.022 1.00 38.40 C ATOM 560 C ARG A 68 47.395 -46.438 -0.186 1.00 34.30 C ATOM 561 O ARG A 68 46.731 -46.565 -1.204 1.00 31.59 O ATOM 562 CB ARG A 68 47.856 -48.658 0.940 1.00 40.63 C ATOM 563 CG ARG A 68 49.361 -48.519 0.783 1.00 56.34 C ATOM 564 CD ARG A 68 50.068 -49.866 0.921 1.00 65.74 C ATOM 565 NE ARG A 68 51.495 -49.698 1.200 1.00 78.40 N ATOM 566 CZ ARG A 68 52.357 -50.698 1.366 1.00 80.97 C ATOM 567 NH1 ARG A 68 53.635 -50.441 1.621 1.00 82.20 N ATOM 568 NH2 ARG A 68 51.945 -51.955 1.276 1.00 71.21 N ATOM 569 HE ARG A 68 51.861 -48.728 1.274 1.00 0.00 H ATOM 570 HH12 ARG A 68 54.307 -51.224 1.750 1.00 0.00 H ATOM 571 HH11 ARG A 68 53.964 -49.457 1.691 1.00 0.00 H ATOM 572 HH22 ARG A 68 52.621 -52.734 1.406 1.00 0.00 H ATOM 573 HH21 ARG A 68 50.946 -52.162 1.075 1.00 0.00 H ATOM 574 H ARG A 68 45.076 -47.519 0.213 1.00 0.00 H ATOM 575 N CYS A 69 48.354 -45.521 -0.065 1.00 27.98 N ATOM 576 CA CYS A 69 48.777 -44.705 -1.204 1.00 31.82 C ATOM 577 C CYS A 69 50.297 -44.557 -1.207 1.00 33.80 C ATOM 578 O CYS A 69 50.903 -44.211 -0.188 1.00 33.64 O ATOM 579 CB CYS A 69 48.123 -43.311 -1.167 1.00 28.60 C ATOM 580 SG CYS A 69 48.576 -42.239 -2.562 1.00 31.77 S ATOM 581 H CYS A 69 48.812 -45.382 0.858 1.00 0.00 H ATOM 582 N THR A 70 50.916 -44.809 -2.351 1.00 31.56 N ATOM 583 CA THR A 70 52.368 -44.675 -2.457 1.00 31.76 C ATOM 584 C THR A 70 52.718 -43.703 -3.569 1.00 30.42 C ATOM 585 O THR A 70 52.272 -43.877 -4.708 1.00 30.73 O ATOM 586 CB THR A 70 53.013 -46.036 -2.794 1.00 36.89 C ATOM 587 OG1 THR A 70 52.701 -46.979 -1.767 1.00 41.86 O ATOM 588 CG2 THR A 70 54.534 -45.902 -2.915 1.00 38.58 C ATOM 589 HG1 THR A 70 51.719 -47.085 -1.705 1.00 0.00 H ATOM 590 H THR A 70 50.364 -45.105 -3.181 1.00 0.00 H ATOM 591 N VAL A 71 53.478 -42.667 -3.232 1.00 30.68 N ATOM 592 CA VAL A 71 54.060 -41.762 -4.217 1.00 29.58 C ATOM 593 C VAL A 71 55.579 -41.794 -4.006 1.00 36.32 C ATOM 594 O VAL A 71 56.054 -41.625 -2.878 1.00 34.07 O ATOM 595 CB VAL A 71 53.548 -40.314 -4.059 1.00 28.50 C ATOM 596 CG1 VAL A 71 54.297 -39.344 -4.978 1.00 29.87 C ATOM 597 CG2 VAL A 71 52.044 -40.253 -4.338 1.00 26.91 C ATOM 598 H VAL A 71 53.666 -42.494 -2.224 1.00 0.00 H ATOM 599 N ILE A 72 56.326 -42.049 -5.081 1.00 32.61 N ATOM 600 CA ILE A 72 57.816 -41.988 -5.042 1.00 32.89 C ATOM 601 C ILE A 72 58.269 -40.579 -5.379 1.00 36.74 C ATOM 602 O ILE A 72 57.971 -40.085 -6.462 1.00 39.33 O ATOM 603 CB ILE A 72 58.411 -42.971 -6.077 1.00 33.38 C ATOM 604 CG1 ILE A 72 57.905 -44.377 -5.784 1.00 36.77 C ATOM 605 CG2 ILE A 72 59.933 -42.915 -6.093 1.00 38.45 C ATOM 606 CD1 ILE A 72 58.005 -44.774 -4.320 1.00 40.09 C ATOM 607 H ILE A 72 55.855 -42.298 -5.974 1.00 0.00 H ATOM 608 N GLY A 73 58.991 -39.920 -4.472 1.00 39.24 N ATOM 609 CA GLY A 73 59.408 -38.531 -4.706 1.00 45.91 C ATOM 610 C GLY A 73 58.304 -37.546 -4.327 1.00 47.74 C ATOM 611 O GLY A 73 57.284 -37.950 -3.780 1.00 49.93 O ATOM 612 H GLY A 73 59.262 -40.395 -3.588 1.00 0.00 H ATOM 613 N ASP A 74 58.488 -36.261 -4.612 1.00 44.33 N ATOM 614 CA ASP A 74 57.491 -35.255 -4.199 1.00 46.36 C ATOM 615 C ASP A 74 56.188 -35.407 -4.963 1.00 49.29 C ATOM 616 O ASP A 74 56.220 -35.650 -6.166 1.00 46.05 O ATOM 617 CB ASP A 74 58.001 -33.837 -4.422 1.00 45.67 C ATOM 618 CG ASP A 74 59.270 -33.545 -3.650 1.00 54.99 C ATOM 619 OD1 ASP A 74 59.493 -34.162 -2.588 1.00 58.71 O ATOM 620 OD2 ASP A 74 60.043 -32.693 -4.123 1.00 56.52 O ATOM 621 H ASP A 74 59.340 -35.963 -5.129 1.00 0.00 H ATOM 622 N PRO A 75 55.038 -35.248 -4.270 1.00 42.94 N ATOM 623 CA PRO A 75 53.723 -35.325 -4.923 1.00 41.75 C ATOM 624 C PRO A 75 53.422 -34.073 -5.741 1.00 44.34 C ATOM 625 O PRO A 75 52.404 -33.396 -5.500 1.00 39.35 O ATOM 626 CB PRO A 75 52.755 -35.442 -3.745 1.00 40.22 C ATOM 627 CG PRO A 75 53.452 -34.730 -2.626 1.00 42.99 C ATOM 628 CD PRO A 75 54.920 -35.027 -2.815 1.00 44.04 C ATOM 629 N GLU A 76 54.298 -33.767 -6.697 1.00 35.86 N ATOM 630 CA GLU A 76 54.178 -32.549 -7.489 1.00 42.50 C ATOM 631 C GLU A 76 53.402 -32.810 -8.777 1.00 42.73 C ATOM 632 O GLU A 76 53.138 -33.967 -9.131 1.00 36.16 O ATOM 633 CB GLU A 76 55.570 -32.024 -7.844 1.00 47.78 C ATOM 634 CG GLU A 76 56.309 -32.942 -8.803 1.00 55.30 C ATOM 635 CD GLU A 76 57.758 -32.537 -9.011 1.00 61.61 C ATOM 636 OE1 GLU A 76 57.991 -31.431 -9.536 1.00 63.74 O ATOM 637 OE2 GLU A 76 58.662 -33.331 -8.661 1.00 57.23 O ATOM 638 H GLU A 76 55.090 -34.415 -6.883 1.00 0.00 H ATOM 639 N ILE A 77 53.050 -31.745 -9.496 1.00 36.98 N ATOM 640 CA ILE A 77 52.301 -31.921 -10.757 1.00 39.94 C ATOM 641 C ILE A 77 53.051 -32.909 -11.654 1.00 44.44 C ATOM 642 O ILE A 77 54.274 -32.834 -11.754 1.00 38.17 O ATOM 643 CB ILE A 77 52.030 -30.573 -11.455 1.00 47.38 C ATOM 644 CG1 ILE A 77 50.959 -29.792 -10.670 1.00 41.71 C ATOM 645 CG2 ILE A 77 51.590 -30.781 -12.901 1.00 35.19 C ATOM 646 CD1 ILE A 77 51.045 -28.286 -10.845 1.00 49.44 C ATOM 647 H ILE A 77 53.302 -30.790 -9.170 1.00 0.00 H ATOM 648 N GLY A 78 52.321 -33.864 -12.248 1.00 34.31 N ATOM 649 CA GLY A 78 52.902 -34.909 -13.082 1.00 32.64 C ATOM 650 C GLY A 78 53.333 -36.193 -12.361 1.00 28.04 C ATOM 651 O GLY A 78 53.636 -37.186 -12.999 1.00 30.23 O ATOM 652 H GLY A 78 51.291 -33.859 -12.107 1.00 0.00 H ATOM 653 N SER A 79 53.322 -36.189 -11.037 1.00 29.26 N ATOM 654 CA SER A 79 53.727 -37.385 -10.302 1.00 28.50 C ATOM 655 C SER A 79 52.680 -38.493 -10.424 1.00 28.46 C ATOM 656 O SER A 79 51.519 -38.240 -10.828 1.00 27.93 O ATOM 657 CB SER A 79 54.002 -37.048 -8.834 1.00 37.43 C ATOM 658 OG SER A 79 52.818 -36.625 -8.155 1.00 36.75 O ATOM 659 HG SER A 79 52.456 -35.817 -8.597 1.00 0.00 H ATOM 660 H SER A 79 53.026 -35.336 -10.521 1.00 0.00 H ATOM 661 N LEU A 80 53.070 -39.712 -10.061 1.00 26.28 N ATOM 662 CA LEU A 80 52.128 -40.819 -10.039 1.00 27.50 C ATOM 663 C LEU A 80 51.882 -41.256 -8.600 1.00 29.57 C ATOM 664 O LEU A 80 52.807 -41.245 -7.761 1.00 29.64 O ATOM 665 CB LEU A 80 52.662 -42.027 -10.835 1.00 28.56 C ATOM 666 CG LEU A 80 52.939 -41.870 -12.336 1.00 32.41 C ATOM 667 CD1 LEU A 80 53.360 -43.204 -12.957 1.00 27.02 C ATOM 668 CD2 LEU A 80 51.702 -41.331 -13.052 1.00 30.09 C ATOM 669 H LEU A 80 54.061 -39.875 -9.790 1.00 0.00 H ATOM 670 N ARG A 81 50.649 -41.676 -8.329 1.00 26.61 N ATOM 671 CA ARG A 81 50.375 -42.395 -7.097 1.00 27.63 C ATOM 672 C ARG A 81 49.855 -43.782 -7.398 1.00 27.50 C ATOM 673 O ARG A 81 49.147 -43.995 -8.381 1.00 29.20 O ATOM 674 CB ARG A 81 49.370 -41.631 -6.218 1.00 29.11 C ATOM 675 CG ARG A 81 47.967 -41.500 -6.811 1.00 25.71 C ATOM 676 CD ARG A 81 47.143 -40.583 -5.908 1.00 25.74 C ATOM 677 NE ARG A 81 45.805 -40.315 -6.440 1.00 23.99 N ATOM 678 CZ ARG A 81 45.018 -39.343 -5.977 1.00 26.33 C ATOM 679 NH1 ARG A 81 45.444 -38.563 -4.987 1.00 25.77 N ATOM 680 NH2 ARG A 81 43.803 -39.164 -6.497 1.00 26.37 N ATOM 681 HE ARG A 81 45.452 -40.911 -7.216 1.00 0.00 H ATOM 682 HH12 ARG A 81 44.833 -37.804 -4.623 1.00 0.00 H ATOM 683 HH11 ARG A 81 46.388 -38.712 -4.577 1.00 0.00 H ATOM 684 HH22 ARG A 81 43.189 -38.406 -6.136 1.00 0.00 H ATOM 685 HH21 ARG A 81 43.469 -39.782 -7.264 1.00 0.00 H ATOM 686 H ARG A 81 49.878 -41.489 -9.002 1.00 0.00 H ATOM 687 N GLU A 82 50.184 -44.731 -6.530 1.00 26.35 N ATOM 688 CA GLU A 82 49.576 -46.037 -6.602 1.00 29.32 C ATOM 689 C GLU A 82 48.671 -46.164 -5.391 1.00 30.34 C ATOM 690 O GLU A 82 49.162 -46.068 -4.263 1.00 30.56 O ATOM 691 CB GLU A 82 50.636 -47.113 -6.456 1.00 35.67 C ATOM 692 CG GLU A 82 50.034 -48.494 -6.614 1.00 41.19 C ATOM 693 CD GLU A 82 50.240 -48.989 -8.014 1.00 61.55 C ATOM 694 OE1 GLU A 82 50.256 -48.136 -8.942 1.00 52.97 O ATOM 695 OE2 GLU A 82 50.429 -50.208 -8.172 1.00 49.64 O ATOM 696 H GLU A 82 50.887 -44.531 -5.791 1.00 0.00 H ATOM 697 N VAL A 83 47.378 -46.385 -5.608 1.00 30.23 N ATOM 698 CA VAL A 83 46.445 -46.498 -4.475 1.00 30.99 C ATOM 699 C VAL A 83 45.936 -47.940 -4.397 1.00 30.64 C ATOM 700 O VAL A 83 45.671 -48.564 -5.424 1.00 32.18 O ATOM 701 CB VAL A 83 45.257 -45.495 -4.550 1.00 36.63 C ATOM 702 CG1 VAL A 83 45.750 -44.051 -4.611 1.00 34.10 C ATOM 703 CG2 VAL A 83 44.350 -45.777 -5.724 1.00 40.03 C ATOM 704 H VAL A 83 47.025 -46.478 -6.582 1.00 0.00 H ATOM 705 N ASN A 84 45.842 -48.484 -3.185 1.00 30.32 N ATOM 706 CA ASN A 84 45.187 -49.779 -3.013 1.00 29.42 C ATOM 707 C ASN A 84 43.841 -49.456 -2.388 1.00 28.10 C ATOM 708 O ASN A 84 43.747 -48.515 -1.610 1.00 28.71 O ATOM 709 CB ASN A 84 45.974 -50.701 -2.075 1.00 36.04 C ATOM 710 CG ASN A 84 47.304 -51.141 -2.656 1.00 46.81 C ATOM 711 OD1 ASN A 84 48.313 -51.151 -1.962 1.00 58.30 O ATOM 712 ND2 ASN A 84 47.311 -51.502 -3.930 1.00 45.53 N ATOM 713 HD22 ASN A 84 46.430 -51.478 -4.482 1.00 0.00 H ATOM 714 HD21 ASN A 84 48.198 -51.809 -4.378 1.00 0.00 H ATOM 715 H ASN A 84 46.235 -47.987 -2.360 1.00 0.00 H ATOM 716 N VAL A 85 42.800 -50.212 -2.726 1.00 29.59 N ATOM 717 CA VAL A 85 41.500 -49.898 -2.164 1.00 28.98 C ATOM 718 C VAL A 85 41.095 -51.052 -1.260 1.00 35.79 C ATOM 719 O VAL A 85 41.641 -52.143 -1.371 1.00 34.03 O ATOM 720 CB VAL A 85 40.421 -49.629 -3.247 1.00 29.62 C ATOM 721 CG1 VAL A 85 40.730 -48.326 -4.000 1.00 32.32 C ATOM 722 CG2 VAL A 85 40.301 -50.794 -4.228 1.00 29.36 C ATOM 723 H VAL A 85 42.916 -51.012 -3.380 1.00 0.00 H ATOM 724 N LYS A 86 40.134 -50.793 -0.381 1.00 31.76 N ATOM 725 CA LYS A 86 39.555 -51.820 0.502 1.00 34.95 C ATOM 726 C LYS A 86 38.829 -52.970 -0.193 1.00 38.99 C ATOM 727 O LYS A 86 38.387 -52.850 -1.344 1.00 34.95 O ATOM 728 CB LYS A 86 38.634 -51.138 1.518 1.00 34.47 C ATOM 729 CG LYS A 86 39.422 -50.155 2.385 1.00 39.11 C ATOM 730 CD LYS A 86 38.591 -49.335 3.344 1.00 46.62 C ATOM 731 CE LYS A 86 39.529 -48.721 4.372 1.00 53.65 C ATOM 732 NZ LYS A 86 39.185 -47.324 4.745 1.00 58.57 N ATOM 733 HZ1 LYS A 86 39.220 -46.722 3.898 1.00 0.00 H ATOM 734 HZ2 LYS A 86 38.227 -47.300 5.149 1.00 0.00 H ATOM 735 HZ3 LYS A 86 39.868 -46.976 5.448 1.00 0.00 H ATOM 736 H LYS A 86 39.773 -49.820 -0.313 1.00 0.00 H ATOM 737 N SER A 87 38.693 -54.097 0.520 1.00 37.19 N ATOM 738 CA SER A 87 37.961 -55.253 0.006 1.00 40.95 C ATOM 739 C SER A 87 36.512 -54.907 -0.280 1.00 35.97 C ATOM 740 O SER A 87 35.944 -54.024 0.361 1.00 40.90 O ATOM 741 CB SER A 87 37.981 -56.393 1.029 1.00 47.00 C ATOM 742 OG SER A 87 39.265 -56.975 1.103 1.00 59.87 O ATOM 743 HG SER A 87 39.256 -57.708 1.768 1.00 0.00 H ATOM 744 H SER A 87 39.121 -54.150 1.466 1.00 0.00 H ATOM 745 N GLY A 88 35.917 -55.607 -1.237 1.00 38.03 N ATOM 746 CA GLY A 88 34.484 -55.475 -1.496 1.00 41.57 C ATOM 747 C GLY A 88 34.173 -54.678 -2.744 1.00 40.94 C ATOM 748 O GLY A 88 33.006 -54.485 -3.101 1.00 39.93 O ATOM 749 H GLY A 88 36.481 -56.263 -1.815 1.00 0.00 H ATOM 750 N LEU A 89 35.229 -54.234 -3.423 1.00 37.42 N ATOM 751 CA LEU A 89 35.088 -53.455 -4.647 1.00 31.21 C ATOM 752 C LEU A 89 35.593 -54.213 -5.883 1.00 34.32 C ATOM 753 O LEU A 89 36.427 -55.105 -5.755 1.00 35.20 O ATOM 754 CB LEU A 89 35.864 -52.132 -4.480 1.00 33.19 C ATOM 755 CG LEU A 89 35.340 -51.176 -3.410 1.00 34.55 C ATOM 756 CD1 LEU A 89 36.418 -50.176 -2.990 1.00 35.48 C ATOM 757 CD2 LEU A 89 34.112 -50.447 -3.926 1.00 33.18 C ATOM 758 H LEU A 89 36.183 -54.450 -3.069 1.00 0.00 H ATOM 759 N PRO A 90 35.099 -53.860 -7.093 1.00 34.36 N ATOM 760 CA PRO A 90 35.617 -54.489 -8.326 1.00 37.56 C ATOM 761 C PRO A 90 36.994 -53.932 -8.694 1.00 33.89 C ATOM 762 O PRO A 90 37.212 -53.500 -9.826 1.00 34.34 O ATOM 763 CB PRO A 90 34.582 -54.093 -9.389 1.00 36.96 C ATOM 764 CG PRO A 90 33.991 -52.812 -8.867 1.00 36.82 C ATOM 765 CD PRO A 90 34.007 -52.904 -7.367 1.00 35.48 C ATOM 766 N ALA A 91 37.921 -53.961 -7.744 1.00 33.06 N ATOM 767 CA ALA A 91 39.243 -53.359 -7.939 1.00 34.12 C ATOM 768 C ALA A 91 40.092 -53.677 -6.732 1.00 31.54 C ATOM 769 O ALA A 91 39.550 -53.875 -5.653 1.00 33.36 O ATOM 770 CB ALA A 91 39.105 -51.841 -8.039 1.00 32.03 C ATOM 771 H ALA A 91 37.703 -54.423 -6.838 1.00 0.00 H ATOM 772 N THR A 92 41.414 -53.708 -6.896 1.00 30.45 N ATOM 773 CA THR A 92 42.304 -53.722 -5.750 1.00 30.98 C ATOM 774 C THR A 92 43.303 -52.579 -5.830 1.00 30.95 C ATOM 775 O THR A 92 43.780 -52.109 -4.808 1.00 28.72 O ATOM 776 CB THR A 92 43.106 -55.035 -5.629 1.00 31.85 C ATOM 777 OG1 THR A 92 44.060 -55.092 -6.695 1.00 37.19 O ATOM 778 CG2 THR A 92 42.176 -56.254 -5.711 1.00 35.24 C ATOM 779 HG1 THR A 92 43.585 -55.067 -7.563 1.00 0.00 H ATOM 780 H THR A 92 41.813 -53.722 -7.856 1.00 0.00 H ATOM 781 N THR A 93 43.630 -52.125 -7.039 1.00 29.58 N ATOM 782 CA THR A 93 44.696 -51.132 -7.170 1.00 28.87 C ATOM 783 C THR A 93 44.437 -50.177 -8.336 1.00 27.14 C ATOM 784 O THR A 93 43.831 -50.566 -9.352 1.00 28.91 O ATOM 785 CB THR A 93 46.073 -51.811 -7.390 1.00 41.58 C ATOM 786 OG1 THR A 93 46.184 -52.236 -8.745 1.00 49.85 O ATOM 787 CG2 THR A 93 46.212 -53.049 -6.516 1.00 36.55 C ATOM 788 HG1 THR A 93 46.104 -51.451 -9.343 1.00 0.00 H ATOM 789 H THR A 93 43.132 -52.474 -7.883 1.00 0.00 H ATOM 790 N SER A 94 44.910 -48.942 -8.187 1.00 27.86 N ATOM 791 CA SER A 94 44.742 -47.892 -9.209 1.00 27.74 C ATOM 792 C SER A 94 46.003 -47.021 -9.266 1.00 28.93 C ATOM 793 O SER A 94 46.534 -46.612 -8.237 1.00 29.74 O ATOM 794 CB SER A 94 43.527 -47.009 -8.893 1.00 26.61 C ATOM 795 OG SER A 94 43.325 -46.004 -9.904 1.00 25.29 O ATOM 796 HG SER A 94 42.536 -45.455 -9.669 1.00 0.00 H ATOM 797 H SER A 94 45.420 -48.707 -7.312 1.00 0.00 H ATOM 798 N THR A 95 46.499 -46.764 -10.473 1.00 26.97 N ATOM 799 CA THR A 95 47.643 -45.859 -10.638 1.00 25.79 C ATOM 800 C THR A 95 47.140 -44.587 -11.286 1.00 23.81 C ATOM 801 O THR A 95 46.467 -44.651 -12.307 1.00 27.17 O ATOM 802 CB THR A 95 48.691 -46.509 -11.550 1.00 28.54 C ATOM 803 OG1 THR A 95 48.911 -47.851 -11.101 1.00 27.40 O ATOM 804 CG2 THR A 95 50.013 -45.721 -11.494 1.00 31.90 C ATOM 805 HG1 THR A 95 49.237 -47.836 -10.166 1.00 0.00 H ATOM 806 H THR A 95 46.071 -47.209 -11.310 1.00 0.00 H ATOM 807 N GLU A 96 47.464 -43.436 -10.686 1.00 22.85 N ATOM 808 CA GLU A 96 46.839 -42.184 -11.038 1.00 24.59 C ATOM 809 C GLU A 96 47.919 -41.103 -11.182 1.00 25.61 C ATOM 810 O GLU A 96 48.946 -41.136 -10.500 1.00 27.16 O ATOM 811 CB GLU A 96 45.827 -41.804 -9.929 1.00 23.65 C ATOM 812 CG GLU A 96 45.035 -43.058 -9.533 1.00 24.07 C ATOM 813 CD GLU A 96 43.883 -42.809 -8.568 1.00 29.00 C ATOM 814 OE1 GLU A 96 42.976 -43.671 -8.507 1.00 28.03 O ATOM 815 OE2 GLU A 96 43.879 -41.787 -7.862 1.00 25.83 O ATOM 816 H GLU A 96 48.190 -43.444 -9.941 1.00 0.00 H ATOM 817 N ARG A 97 47.661 -40.137 -12.054 1.00 22.87 N ATOM 818 CA ARG A 97 48.635 -39.083 -12.348 1.00 22.98 C ATOM 819 C ARG A 97 48.054 -37.714 -11.992 1.00 25.84 C ATOM 820 O ARG A 97 46.876 -37.440 -12.247 1.00 25.06 O ATOM 821 CB ARG A 97 49.016 -39.115 -13.838 1.00 23.59 C ATOM 822 CG ARG A 97 50.142 -38.126 -14.166 1.00 27.34 C ATOM 823 CD ARG A 97 50.693 -38.372 -15.577 1.00 29.89 C ATOM 824 NE ARG A 97 49.625 -38.102 -16.558 1.00 26.43 N ATOM 825 CZ ARG A 97 49.391 -38.795 -17.673 1.00 31.83 C ATOM 826 NH1 ARG A 97 50.140 -39.825 -18.030 1.00 32.13 N ATOM 827 NH2 ARG A 97 48.372 -38.443 -18.450 1.00 34.09 N ATOM 828 HE ARG A 97 48.997 -37.297 -16.362 1.00 0.00 H ATOM 829 HH12 ARG A 97 49.928 -40.343 -18.907 1.00 0.00 H ATOM 830 HH11 ARG A 97 50.941 -40.117 -17.434 1.00 0.00 H ATOM 831 HH22 ARG A 97 48.176 -38.973 -19.323 1.00 0.00 H ATOM 832 HH21 ARG A 97 47.770 -37.637 -18.185 1.00 0.00 H ATOM 833 H ARG A 97 46.743 -40.128 -12.542 1.00 0.00 H ATOM 834 N LEU A 98 48.869 -36.856 -11.392 1.00 23.30 N ATOM 835 CA LEU A 98 48.427 -35.506 -11.041 1.00 27.24 C ATOM 836 C LEU A 98 48.553 -34.602 -12.263 1.00 32.06 C ATOM 837 O LEU A 98 49.665 -34.301 -12.701 1.00 32.06 O ATOM 838 CB LEU A 98 49.280 -34.972 -9.903 1.00 26.80 C ATOM 839 CG LEU A 98 48.934 -33.553 -9.417 1.00 27.92 C ATOM 840 CD1 LEU A 98 47.450 -33.446 -9.050 1.00 25.50 C ATOM 841 CD2 LEU A 98 49.807 -33.214 -8.206 1.00 30.63 C ATOM 842 H LEU A 98 49.841 -37.149 -11.167 1.00 0.00 H ATOM 843 N GLU A 99 47.422 -34.180 -12.826 1.00 27.25 N ATOM 844 CA GLU A 99 47.436 -33.452 -14.101 1.00 29.11 C ATOM 845 C GLU A 99 47.461 -31.953 -13.871 1.00 29.60 C ATOM 846 O GLU A 99 47.963 -31.191 -14.701 1.00 30.58 O ATOM 847 CB GLU A 99 46.191 -33.790 -14.930 1.00 28.58 C ATOM 848 CG GLU A 99 46.007 -35.266 -15.241 1.00 30.43 C ATOM 849 CD GLU A 99 47.056 -35.783 -16.200 1.00 38.40 C ATOM 850 OE1 GLU A 99 46.683 -36.216 -17.289 1.00 41.03 O ATOM 851 OE2 GLU A 99 48.252 -35.739 -15.873 1.00 44.49 O ATOM 852 H GLU A 99 46.514 -34.369 -12.355 1.00 0.00 H ATOM 853 N LEU A 100 46.904 -31.523 -12.752 1.00 26.57 N ATOM 854 CA LEU A 100 46.717 -30.104 -12.525 1.00 30.89 C ATOM 855 C LEU A 100 46.646 -29.865 -11.045 1.00 30.86 C ATOM 856 O LEU A 100 45.937 -30.568 -10.343 1.00 24.20 O ATOM 857 CB LEU A 100 45.399 -29.661 -13.200 1.00 32.52 C ATOM 858 CG LEU A 100 45.106 -28.167 -13.374 1.00 51.82 C ATOM 859 CD1 LEU A 100 44.761 -27.528 -12.045 1.00 52.25 C ATOM 860 CD2 LEU A 100 46.281 -27.440 -14.013 1.00 57.02 C ATOM 861 H LEU A 100 46.598 -32.207 -12.031 1.00 0.00 H ATOM 862 N LEU A 101 47.382 -28.872 -10.544 1.00 26.15 N ATOM 863 CA LEU A 101 47.195 -28.457 -9.167 1.00 26.97 C ATOM 864 C LEU A 101 47.482 -26.971 -9.054 1.00 33.93 C ATOM 865 O LEU A 101 48.620 -26.536 -9.218 1.00 34.55 O ATOM 866 CB LEU A 101 48.095 -29.231 -8.203 1.00 27.95 C ATOM 867 CG LEU A 101 47.841 -29.013 -6.701 1.00 33.87 C ATOM 868 CD1 LEU A 101 46.453 -29.496 -6.326 1.00 38.31 C ATOM 869 CD2 LEU A 101 48.864 -29.783 -5.875 1.00 44.86 C ATOM 870 H LEU A 101 48.089 -28.396 -11.140 1.00 0.00 H ATOM 871 N ASP A 102 46.454 -26.192 -8.764 1.00 29.58 N ATOM 872 CA ASP A 102 46.615 -24.740 -8.755 1.00 31.07 C ATOM 873 C ASP A 102 46.217 -24.252 -7.380 1.00 27.36 C ATOM 874 O ASP A 102 45.037 -24.190 -7.059 1.00 29.01 O ATOM 875 CB ASP A 102 45.732 -24.106 -9.836 1.00 32.89 C ATOM 876 CG ASP A 102 45.992 -22.612 -10.002 1.00 41.84 C ATOM 877 OD1 ASP A 102 46.265 -21.918 -8.997 1.00 34.63 O ATOM 878 OD2 ASP A 102 45.906 -22.134 -11.145 1.00 47.02 O ATOM 879 H ASP A 102 45.529 -26.613 -8.542 1.00 0.00 H ATOM 880 N ASP A 103 47.212 -23.931 -6.560 1.00 29.86 N ATOM 881 CA ASP A 103 46.979 -23.543 -5.171 1.00 30.37 C ATOM 882 C ASP A 103 46.337 -22.176 -5.047 1.00 33.26 C ATOM 883 O ASP A 103 45.737 -21.859 -4.023 1.00 34.92 O ATOM 884 CB ASP A 103 48.295 -23.524 -4.401 1.00 33.39 C ATOM 885 CG ASP A 103 48.578 -24.826 -3.699 1.00 30.12 C ATOM 886 OD1 ASP A 103 47.607 -25.533 -3.311 1.00 28.78 O ATOM 887 OD2 ASP A 103 49.777 -25.116 -3.537 1.00 28.98 O ATOM 888 H ASP A 103 48.188 -23.957 -6.918 1.00 0.00 H ATOM 889 N GLU A 104 46.464 -21.366 -6.093 1.00 31.93 N ATOM 890 CA GLU A 104 45.910 -20.008 -6.071 1.00 34.25 C ATOM 891 C GLU A 104 44.441 -19.997 -6.443 1.00 35.66 C ATOM 892 O GLU A 104 43.648 -19.324 -5.786 1.00 38.87 O ATOM 893 CB GLU A 104 46.747 -19.073 -6.960 1.00 34.36 C ATOM 894 CG GLU A 104 48.096 -18.829 -6.296 1.00 40.75 C ATOM 895 CD GLU A 104 49.122 -18.145 -7.178 1.00 63.82 C ATOM 896 OE1 GLU A 104 50.268 -17.959 -6.703 1.00 69.54 O ATOM 897 OE2 GLU A 104 48.788 -17.790 -8.332 1.00 65.97 O ATOM 898 H GLU A 104 46.964 -21.701 -6.941 1.00 0.00 H ATOM 899 N GLU A 105 44.084 -20.768 -7.468 1.00 31.09 N ATOM 900 CA GLU A 105 42.707 -20.879 -7.950 1.00 35.49 C ATOM 901 C GLU A 105 41.940 -22.073 -7.358 1.00 37.12 C ATOM 902 O GLU A 105 40.725 -22.166 -7.516 1.00 36.47 O ATOM 903 CB GLU A 105 42.701 -21.004 -9.472 1.00 38.13 C ATOM 904 CG GLU A 105 43.417 -19.863 -10.186 1.00 52.36 C ATOM 905 CD GLU A 105 42.723 -18.528 -9.993 1.00 59.02 C ATOM 906 OE1 GLU A 105 43.425 -17.502 -9.875 1.00 86.83 O ATOM 907 OE2 GLU A 105 41.476 -18.498 -9.957 1.00 68.23 O ATOM 908 H GLU A 105 44.822 -21.320 -7.951 1.00 0.00 H ATOM 909 N HIS A 106 42.646 -22.997 -6.711 1.00 29.62 N ATOM 910 CA HIS A 106 41.978 -24.128 -6.038 1.00 28.45 C ATOM 911 C HIS A 106 41.362 -25.089 -7.022 1.00 30.35 C ATOM 912 O HIS A 106 40.162 -25.377 -6.972 1.00 30.33 O ATOM 913 CB HIS A 106 40.963 -23.620 -5.017 1.00 29.69 C ATOM 914 CG HIS A 106 41.534 -22.555 -4.095 1.00 31.73 C ATOM 915 ND1 HIS A 106 41.031 -21.307 -4.029 1.00 33.85 N ATOM 916 CD2 HIS A 106 42.628 -22.582 -3.246 1.00 32.25 C ATOM 917 CE1 HIS A 106 41.754 -20.572 -3.156 1.00 35.26 C ATOM 918 NE2 HIS A 106 42.740 -21.343 -2.686 1.00 36.07 N ATOM 919 H HIS A 106 43.683 -22.921 -6.679 1.00 0.00 H ATOM 920 N ILE A 107 42.204 -25.611 -7.914 1.00 24.83 N ATOM 921 CA ILE A 107 41.769 -26.594 -8.907 1.00 25.89 C ATOM 922 C ILE A 107 42.716 -27.778 -8.846 1.00 27.55 C ATOM 923 O ILE A 107 43.946 -27.588 -8.778 1.00 26.66 O ATOM 924 CB ILE A 107 41.870 -26.005 -10.321 1.00 34.19 C ATOM 925 CG1 ILE A 107 41.111 -24.675 -10.408 1.00 37.06 C ATOM 926 CG2 ILE A 107 41.384 -27.002 -11.360 1.00 30.87 C ATOM 927 CD1 ILE A 107 41.529 -23.844 -11.610 1.00 40.54 C ATOM 928 H ILE A 107 43.200 -25.311 -7.904 1.00 0.00 H ATOM 929 N LEU A 108 42.141 -28.985 -8.900 1.00 24.67 N ATOM 930 CA LEU A 108 42.882 -30.235 -8.849 1.00 24.99 C ATOM 931 C LEU A 108 42.373 -31.107 -9.989 1.00 25.97 C ATOM 932 O LEU A 108 41.167 -31.311 -10.144 1.00 25.82 O ATOM 933 CB LEU A 108 42.637 -30.946 -7.498 1.00 24.53 C ATOM 934 CG LEU A 108 43.098 -32.418 -7.432 1.00 29.70 C ATOM 935 CD1 LEU A 108 44.612 -32.505 -7.319 1.00 28.27 C ATOM 936 CD2 LEU A 108 42.456 -33.205 -6.280 1.00 28.24 C ATOM 937 H LEU A 108 41.105 -29.032 -8.983 1.00 0.00 H ATOM 938 N GLY A 109 43.285 -31.633 -10.785 1.00 24.26 N ATOM 939 CA GLY A 109 42.889 -32.532 -11.874 1.00 22.13 C ATOM 940 C GLY A 109 43.731 -33.786 -11.811 1.00 26.92 C ATOM 941 O GLY A 109 44.953 -33.711 -11.619 1.00 24.92 O ATOM 942 H GLY A 109 44.290 -31.409 -10.639 1.00 0.00 H ATOM 943 N ILE A 110 43.094 -34.944 -11.977 1.00 23.28 N ATOM 944 CA ILE A 110 43.830 -36.210 -11.964 1.00 23.64 C ATOM 945 C ILE A 110 43.396 -37.057 -13.153 1.00 26.37 C ATOM 946 O ILE A 110 42.322 -36.844 -13.710 1.00 24.98 O ATOM 947 CB ILE A 110 43.610 -37.003 -10.655 1.00 27.83 C ATOM 948 CG1 ILE A 110 42.162 -37.443 -10.529 1.00 33.46 C ATOM 949 CG2 ILE A 110 44.004 -36.170 -9.420 1.00 29.02 C ATOM 950 CD1 ILE A 110 41.924 -38.387 -9.355 1.00 36.25 C ATOM 951 H ILE A 110 42.064 -34.949 -12.117 1.00 0.00 H ATOM 952 N LYS A 111 44.230 -38.007 -13.543 1.00 24.56 N ATOM 953 CA LYS A 111 43.836 -38.995 -14.541 1.00 24.81 C ATOM 954 C LYS A 111 44.241 -40.366 -14.037 1.00 30.07 C ATOM 955 O LYS A 111 45.349 -40.527 -13.501 1.00 28.60 O ATOM 956 CB LYS A 111 44.534 -38.704 -15.876 1.00 29.92 C ATOM 957 CG LYS A 111 44.173 -39.734 -16.936 1.00 33.32 C ATOM 958 CD LYS A 111 44.656 -39.373 -18.327 1.00 35.21 C ATOM 959 CE LYS A 111 44.087 -40.395 -19.305 1.00 43.07 C ATOM 960 NZ LYS A 111 44.671 -40.246 -20.660 1.00 53.04 N ATOM 961 HZ1 LYS A 111 44.462 -39.294 -21.023 1.00 0.00 H ATOM 962 HZ2 LYS A 111 45.701 -40.381 -20.609 1.00 0.00 H ATOM 963 HZ3 LYS A 111 44.258 -40.959 -21.294 1.00 0.00 H ATOM 964 H LYS A 111 45.184 -38.050 -13.131 1.00 0.00 H ATOM 965 N ILE A 112 43.362 -41.351 -14.196 1.00 24.13 N ATOM 966 CA ILE A 112 43.713 -42.721 -13.803 1.00 27.24 C ATOM 967 C ILE A 112 44.359 -43.407 -15.001 1.00 29.72 C ATOM 968 O ILE A 112 43.771 -43.459 -16.084 1.00 29.86 O ATOM 969 CB ILE A 112 42.490 -43.519 -13.269 1.00 24.96 C ATOM 970 CG1 ILE A 112 41.966 -42.850 -11.991 1.00 26.27 C ATOM 971 CG2 ILE A 112 42.875 -44.976 -13.004 1.00 25.67 C ATOM 972 CD1 ILE A 112 40.706 -43.485 -11.400 1.00 28.92 C ATOM 973 H ILE A 112 42.425 -41.150 -14.599 1.00 0.00 H ATOM 974 N ILE A 113 45.587 -43.882 -14.816 1.00 26.31 N ATOM 975 CA ILE A 113 46.365 -44.409 -15.940 1.00 28.03 C ATOM 976 C ILE A 113 46.680 -45.899 -15.833 1.00 34.91 C ATOM 977 O ILE A 113 47.331 -46.475 -16.712 1.00 32.56 O ATOM 978 CB ILE A 113 47.640 -43.574 -16.185 1.00 32.78 C ATOM 979 CG1 ILE A 113 48.503 -43.470 -14.929 1.00 36.28 C ATOM 980 CG2 ILE A 113 47.273 -42.150 -16.595 1.00 31.96 C ATOM 981 CD1 ILE A 113 49.679 -44.410 -14.884 1.00 43.98 C ATOM 982 H ILE A 113 46.000 -43.879 -13.862 1.00 0.00 H ATOM 983 N GLY A 114 46.231 -46.538 -14.759 1.00 31.47 N ATOM 984 CA GLY A 114 46.460 -47.985 -14.631 1.00 31.80 C ATOM 985 C GLY A 114 45.695 -48.578 -13.465 1.00 31.55 C ATOM 986 O GLY A 114 45.008 -47.851 -12.724 1.00 27.79 O ATOM 987 H GLY A 114 45.722 -46.020 -14.015 1.00 0.00 H ATOM 988 N GLY A 115 45.818 -49.898 -13.301 1.00 32.25 N ATOM 989 CA GLY A 115 45.170 -50.599 -12.198 1.00 29.49 C ATOM 990 C GLY A 115 44.454 -51.854 -12.645 1.00 35.44 C ATOM 991 O GLY A 115 44.548 -52.253 -13.804 1.00 38.72 O ATOM 992 H GLY A 115 46.391 -50.441 -13.978 1.00 0.00 H ATOM 993 N ASP A 116 43.724 -52.494 -11.744 1.00 33.34 N ATOM 994 CA ASP A 116 43.019 -53.713 -12.146 1.00 37.29 C ATOM 995 C ASP A 116 41.499 -53.533 -12.166 1.00 38.74 C ATOM 996 O ASP A 116 40.741 -54.506 -12.104 1.00 38.30 O ATOM 997 CB ASP A 116 43.438 -54.893 -11.272 1.00 37.95 C ATOM 998 CG ASP A 116 43.092 -54.690 -9.815 1.00 39.69 C ATOM 999 OD1 ASP A 116 43.280 -55.643 -9.040 1.00 39.73 O ATOM 1000 OD2 ASP A 116 42.639 -53.585 -9.437 1.00 34.23 O ATOM 1001 H ASP A 116 43.653 -52.138 -10.770 1.00 0.00 H ATOM 1002 N HIS A 117 41.061 -52.283 -12.281 1.00 31.49 N ATOM 1003 CA HIS A 117 39.645 -51.932 -12.160 1.00 30.88 C ATOM 1004 C HIS A 117 39.061 -51.703 -13.534 1.00 32.73 C ATOM 1005 O HIS A 117 39.736 -51.924 -14.540 1.00 34.94 O ATOM 1006 CB HIS A 117 39.530 -50.668 -11.323 1.00 31.73 C ATOM 1007 CG HIS A 117 40.308 -49.516 -11.885 1.00 28.64 C ATOM 1008 ND1 HIS A 117 41.532 -49.151 -11.414 1.00 31.88 N ATOM 1009 CD2 HIS A 117 40.020 -48.658 -12.939 1.00 26.00 C ATOM 1010 CE1 HIS A 117 41.983 -48.098 -12.120 1.00 25.94 C ATOM 1011 NE2 HIS A 117 41.074 -47.810 -13.071 1.00 33.34 N ATOM 1012 H HIS A 117 41.750 -51.526 -12.464 1.00 0.00 H ATOM 1013 N ARG A 118 37.837 -51.200 -13.606 1.00 30.87 N ATOM 1014 CA ARG A 118 37.106 -51.106 -14.864 1.00 37.43 C ATOM 1015 C ARG A 118 37.032 -49.697 -15.462 1.00 36.63 C ATOM 1016 O ARG A 118 36.276 -49.470 -16.402 1.00 40.81 O ATOM 1017 CB ARG A 118 35.686 -51.631 -14.633 1.00 37.36 C ATOM 1018 CG ARG A 118 35.620 -52.650 -13.503 1.00 41.17 C ATOM 1019 CD ARG A 118 34.245 -53.281 -13.358 1.00 40.47 C ATOM 1020 NE ARG A 118 33.266 -52.451 -12.647 1.00 43.17 N ATOM 1021 CZ ARG A 118 32.205 -52.963 -12.026 1.00 36.62 C ATOM 1022 NH1 ARG A 118 32.060 -54.274 -12.031 1.00 29.05 N ATOM 1023 NH2 ARG A 118 31.315 -52.188 -11.389 1.00 26.68 N ATOM 1024 HE ARG A 118 33.406 -51.421 -12.627 1.00 0.00 H ATOM 1025 HH12 ARG A 118 31.243 -54.709 -11.556 1.00 0.00 H ATOM 1026 HH11 ARG A 118 32.762 -54.873 -12.510 1.00 0.00 H ATOM 1027 HH22 ARG A 118 30.497 -52.619 -10.913 1.00 0.00 H ATOM 1028 HH21 ARG A 118 31.443 -51.156 -11.371 1.00 0.00 H ATOM 1029 H ARG A 118 37.382 -50.860 -12.735 1.00 0.00 H ATOM 1030 N LEU A 119 37.782 -48.742 -14.907 1.00 31.17 N ATOM 1031 CA LEU A 119 37.666 -47.353 -15.360 1.00 29.87 C ATOM 1032 C LEU A 119 38.838 -46.977 -16.264 1.00 39.04 C ATOM 1033 O LEU A 119 39.961 -46.782 -15.791 1.00 40.30 O ATOM 1034 CB LEU A 119 37.601 -46.396 -14.160 1.00 30.85 C ATOM 1035 CG LEU A 119 36.451 -46.620 -13.162 1.00 31.98 C ATOM 1036 CD1 LEU A 119 36.473 -45.583 -12.043 1.00 33.91 C ATOM 1037 CD2 LEU A 119 35.106 -46.588 -13.890 1.00 39.11 C ATOM 1038 H LEU A 119 38.452 -48.985 -14.149 1.00 0.00 H ATOM 1039 N LYS A 120 38.571 -46.871 -17.558 1.00 29.75 N ATOM 1040 CA LYS A 120 39.592 -46.555 -18.528 1.00 30.22 C ATOM 1041 C LYS A 120 39.400 -45.111 -18.962 1.00 28.53 C ATOM 1042 O LYS A 120 38.261 -44.669 -19.133 1.00 29.99 O ATOM 1043 CB LYS A 120 39.426 -47.484 -19.741 1.00 38.52 C ATOM 1044 CG LYS A 120 40.704 -48.150 -20.204 1.00 63.93 C ATOM 1045 CD LYS A 120 41.046 -49.335 -19.317 1.00 57.14 C ATOM 1046 CE LYS A 120 42.303 -50.026 -19.829 1.00 60.34 C ATOM 1047 NZ LYS A 120 42.864 -50.978 -18.831 1.00 63.64 N ATOM 1048 HZ1 LYS A 120 43.108 -50.463 -17.961 1.00 0.00 H ATOM 1049 HZ2 LYS A 120 42.156 -51.709 -18.615 1.00 0.00 H ATOM 1050 HZ3 LYS A 120 43.718 -51.425 -19.222 1.00 0.00 H ATOM 1051 H LYS A 120 37.595 -47.020 -17.885 1.00 0.00 H ATOM 1052 N ASN A 121 40.507 -44.381 -19.136 1.00 29.81 N ATOM 1053 CA ASN A 121 40.454 -42.963 -19.530 1.00 29.98 C ATOM 1054 C ASN A 121 39.635 -42.073 -18.579 1.00 30.19 C ATOM 1055 O ASN A 121 38.994 -41.094 -18.994 1.00 29.98 O ATOM 1056 CB ASN A 121 39.960 -42.859 -20.979 1.00 33.20 C ATOM 1057 CG ASN A 121 40.990 -43.390 -21.971 1.00 41.06 C ATOM 1058 OD1 ASN A 121 42.171 -43.099 -21.841 1.00 40.05 O ATOM 1059 ND2 ASN A 121 40.548 -44.174 -22.947 1.00 39.95 N ATOM 1060 HD22 ASN A 121 39.534 -44.394 -23.018 1.00 0.00 H ATOM 1061 HD21 ASN A 121 41.216 -44.568 -23.640 1.00 0.00 H ATOM 1062 H ASN A 121 41.434 -44.829 -18.988 1.00 0.00 H ATOM 1063 N TYR A 122 39.675 -42.401 -17.295 1.00 26.63 N ATOM 1064 CA TYR A 122 39.040 -41.566 -16.272 1.00 27.74 C ATOM 1065 C TYR A 122 39.890 -40.318 -16.002 1.00 28.43 C ATOM 1066 O TYR A 122 41.088 -40.439 -15.751 1.00 27.27 O ATOM 1067 CB TYR A 122 38.902 -42.361 -14.972 1.00 27.39 C ATOM 1068 CG TYR A 122 38.286 -41.579 -13.848 1.00 26.08 C ATOM 1069 CD1 TYR A 122 36.926 -41.691 -13.581 1.00 26.00 C ATOM 1070 CD2 TYR A 122 39.049 -40.731 -13.050 1.00 25.26 C ATOM 1071 CE1 TYR A 122 36.331 -40.985 -12.561 1.00 24.87 C ATOM 1072 CE2 TYR A 122 38.465 -40.023 -12.005 1.00 26.32 C ATOM 1073 CZ TYR A 122 37.102 -40.169 -11.763 1.00 28.04 C ATOM 1074 OH TYR A 122 36.496 -39.485 -10.750 1.00 26.98 O ATOM 1075 HH TYR A 122 36.914 -39.735 -9.888 1.00 0.00 H ATOM 1076 H TYR A 122 40.168 -43.270 -17.007 1.00 0.00 H ATOM 1077 N SER A 123 39.268 -39.140 -16.082 1.00 26.27 N ATOM 1078 CA SER A 123 39.870 -37.866 -15.693 1.00 27.57 C ATOM 1079 C SER A 123 38.874 -37.093 -14.875 1.00 26.18 C ATOM 1080 O SER A 123 37.685 -37.076 -15.183 1.00 26.00 O ATOM 1081 CB SER A 123 40.209 -37.010 -16.929 1.00 30.61 C ATOM 1082 OG SER A 123 41.347 -37.548 -17.552 1.00 41.48 O ATOM 1083 HG SER A 123 41.161 -38.480 -17.829 1.00 0.00 H ATOM 1084 H SER A 123 38.293 -39.128 -16.444 1.00 0.00 H ATOM 1085 N SER A 124 39.358 -36.434 -13.833 1.00 23.22 N ATOM 1086 CA SER A 124 38.497 -35.683 -12.941 1.00 23.69 C ATOM 1087 C SER A 124 39.049 -34.264 -12.828 1.00 24.14 C ATOM 1088 O SER A 124 40.268 -34.073 -12.835 1.00 25.94 O ATOM 1089 CB SER A 124 38.588 -36.311 -11.532 1.00 25.95 C ATOM 1090 OG SER A 124 38.281 -35.344 -10.552 1.00 41.64 O ATOM 1091 HG SER A 124 38.924 -34.594 -10.617 1.00 0.00 H ATOM 1092 H SER A 124 40.382 -36.456 -13.650 1.00 0.00 H ATOM 1093 N ILE A 125 38.166 -33.278 -12.714 1.00 23.91 N ATOM 1094 CA ILE A 125 38.562 -31.923 -12.282 1.00 24.51 C ATOM 1095 C ILE A 125 37.742 -31.558 -11.059 1.00 29.37 C ATOM 1096 O ILE A 125 36.527 -31.650 -11.089 1.00 26.12 O ATOM 1097 CB ILE A 125 38.324 -30.867 -13.374 1.00 31.23 C ATOM 1098 CG1 ILE A 125 39.291 -31.092 -14.536 1.00 39.13 C ATOM 1099 CG2 ILE A 125 38.516 -29.454 -12.809 1.00 34.26 C ATOM 1100 CD1 ILE A 125 38.960 -30.271 -15.764 1.00 53.30 C ATOM 1101 H ILE A 125 37.167 -33.466 -12.935 1.00 0.00 H ATOM 1102 N LEU A 126 38.420 -31.150 -9.997 1.00 23.87 N ATOM 1103 CA LEU A 126 37.782 -30.746 -8.757 1.00 25.55 C ATOM 1104 C LEU A 126 38.107 -29.270 -8.491 1.00 29.51 C ATOM 1105 O LEU A 126 39.278 -28.875 -8.505 1.00 28.18 O ATOM 1106 CB LEU A 126 38.290 -31.639 -7.604 1.00 27.22 C ATOM 1107 CG LEU A 126 37.609 -31.465 -6.234 1.00 29.20 C ATOM 1108 CD1 LEU A 126 37.772 -32.733 -5.389 1.00 29.82 C ATOM 1109 CD2 LEU A 126 38.152 -30.242 -5.507 1.00 32.11 C ATOM 1110 H LEU A 126 39.458 -31.117 -10.054 1.00 0.00 H ATOM 1111 N THR A 127 37.079 -28.462 -8.246 1.00 28.07 N ATOM 1112 CA THR A 127 37.291 -27.052 -7.894 1.00 27.55 C ATOM 1113 C THR A 127 36.627 -26.731 -6.572 1.00 31.69 C ATOM 1114 O THR A 127 35.637 -27.350 -6.180 1.00 28.96 O ATOM 1115 CB THR A 127 36.807 -26.080 -9.006 1.00 29.54 C ATOM 1116 OG1 THR A 127 35.401 -26.278 -9.266 1.00 30.05 O ATOM 1117 CG2 THR A 127 37.567 -26.364 -10.283 1.00 29.27 C ATOM 1118 HG1 THR A 127 34.886 -26.106 -8.438 1.00 0.00 H ATOM 1119 H THR A 127 36.110 -28.835 -8.305 1.00 0.00 H ATOM 1120 N VAL A 128 37.192 -25.766 -5.863 1.00 27.05 N ATOM 1121 CA VAL A 128 36.705 -25.440 -4.530 1.00 31.19 C ATOM 1122 C VAL A 128 36.439 -23.933 -4.500 1.00 33.04 C ATOM 1123 O VAL A 128 37.258 -23.158 -5.004 1.00 30.89 O ATOM 1124 CB VAL A 128 37.783 -25.834 -3.496 1.00 39.29 C ATOM 1125 CG1 VAL A 128 37.327 -25.524 -2.096 1.00 37.15 C ATOM 1126 CG2 VAL A 128 38.104 -27.324 -3.638 1.00 35.49 C ATOM 1127 H VAL A 128 37.992 -25.235 -6.262 1.00 0.00 H ATOM 1128 N HIS A 129 35.311 -23.532 -3.910 1.00 33.10 N ATOM 1129 CA HIS A 129 34.853 -22.137 -3.961 1.00 35.17 C ATOM 1130 C HIS A 129 34.366 -21.661 -2.633 1.00 37.14 C ATOM 1131 O HIS A 129 33.628 -22.376 -1.951 1.00 37.37 O ATOM 1132 CB HIS A 129 33.720 -22.016 -4.977 1.00 31.38 C ATOM 1133 CG HIS A 129 34.026 -22.681 -6.290 1.00 34.59 C ATOM 1134 ND1 HIS A 129 34.679 -22.051 -7.286 1.00 35.59 N ATOM 1135 CD2 HIS A 129 33.795 -23.982 -6.729 1.00 31.43 C ATOM 1136 CE1 HIS A 129 34.834 -22.895 -8.321 1.00 35.01 C ATOM 1137 NE2 HIS A 129 34.287 -24.075 -7.980 1.00 34.40 N ATOM 1138 H HIS A 129 34.737 -24.231 -3.397 1.00 0.00 H ATOM 1139 N PRO A 130 34.760 -20.435 -2.243 1.00 38.02 N ATOM 1140 CA PRO A 130 34.317 -19.875 -0.969 1.00 37.91 C ATOM 1141 C PRO A 130 32.867 -19.416 -1.017 1.00 40.06 C ATOM 1142 O PRO A 130 32.386 -18.961 -2.053 1.00 41.98 O ATOM 1143 CB PRO A 130 35.252 -18.678 -0.770 1.00 41.38 C ATOM 1144 CG PRO A 130 35.616 -18.264 -2.156 1.00 44.52 C ATOM 1145 CD PRO A 130 35.693 -19.538 -2.950 1.00 36.61 C ATOM 1146 N GLU A 131 32.167 -19.554 0.097 1.00 41.51 N ATOM 1147 CA GLU A 131 30.798 -19.076 0.181 1.00 45.46 C ATOM 1148 C GLU A 131 30.422 -18.847 1.641 1.00 45.20 C ATOM 1149 O GLU A 131 31.231 -19.072 2.550 1.00 45.49 O ATOM 1150 CB GLU A 131 29.843 -20.081 -0.471 1.00 43.94 C ATOM 1151 CG GLU A 131 29.845 -21.442 0.207 1.00 44.61 C ATOM 1152 CD GLU A 131 28.898 -22.424 -0.450 1.00 49.87 C ATOM 1153 OE1 GLU A 131 28.787 -23.571 0.032 1.00 44.44 O ATOM 1154 OE2 GLU A 131 28.253 -22.043 -1.446 1.00 53.83 O ATOM 1155 H GLU A 131 32.603 -20.011 0.924 1.00 0.00 H ATOM 1156 N ILE A 132 29.200 -18.376 1.859 1.00 49.85 N ATOM 1157 CA ILE A 132 28.663 -18.230 3.197 1.00 47.02 C ATOM 1158 C ILE A 132 27.588 -19.279 3.400 1.00 47.67 C ATOM 1159 O ILE A 132 26.731 -19.469 2.542 1.00 47.96 O ATOM 1160 CB ILE A 132 28.028 -16.844 3.407 1.00 55.50 C ATOM 1161 CG1 ILE A 132 29.043 -15.744 3.098 1.00 53.56 C ATOM 1162 CG2 ILE A 132 27.492 -16.723 4.827 1.00 50.68 C ATOM 1163 CD1 ILE A 132 30.355 -15.920 3.835 1.00 62.44 C ATOM 1164 H ILE A 132 28.611 -18.104 1.046 1.00 0.00 H ATOM 1165 N ILE A 133 27.648 -19.969 4.530 1.00 45.85 N ATOM 1166 CA ILE A 133 26.631 -20.944 4.884 1.00 54.92 C ATOM 1167 C ILE A 133 26.141 -20.599 6.281 1.00 57.88 C ATOM 1168 O ILE A 133 26.883 -20.746 7.260 1.00 59.93 O ATOM 1169 CB ILE A 133 27.185 -22.378 4.881 1.00 48.74 C ATOM 1170 CG1 ILE A 133 27.629 -22.769 3.470 1.00 48.93 C ATOM 1171 CG2 ILE A 133 26.134 -23.347 5.401 1.00 53.42 C ATOM 1172 CD1 ILE A 133 28.331 -24.108 3.402 1.00 46.71 C ATOM 1173 H ILE A 133 28.444 -19.808 5.180 1.00 0.00 H ATOM 1174 N GLU A 134 24.901 -20.118 6.364 1.00 66.87 N ATOM 1175 CA GLU A 134 24.324 -19.686 7.632 1.00 61.56 C ATOM 1176 C GLU A 134 25.271 -18.746 8.359 1.00 55.99 C ATOM 1177 O GLU A 134 25.736 -19.040 9.461 1.00 56.82 O ATOM 1178 CB GLU A 134 23.991 -20.895 8.498 1.00 65.77 C ATOM 1179 CG GLU A 134 22.913 -21.768 7.879 1.00 75.94 C ATOM 1180 CD GLU A 134 23.091 -23.231 8.210 1.00 79.00 C ATOM 1181 OE1 GLU A 134 22.384 -24.065 7.606 1.00 80.24 O ATOM 1182 OE2 GLU A 134 23.942 -23.543 9.070 1.00 71.67 O ATOM 1183 H GLU A 134 24.328 -20.049 5.499 1.00 0.00 H ATOM 1184 N GLY A 135 25.572 -17.624 7.713 1.00 57.84 N ATOM 1185 CA GLY A 135 26.407 -16.586 8.303 1.00 58.26 C ATOM 1186 C GLY A 135 27.826 -16.982 8.654 1.00 62.35 C ATOM 1187 O GLY A 135 28.529 -16.216 9.308 1.00 66.52 O ATOM 1188 H GLY A 135 25.198 -17.482 6.753 1.00 0.00 H ATOM 1189 N ARG A 136 28.261 -18.166 8.218 1.00 57.94 N ATOM 1190 CA ARG A 136 29.618 -18.642 8.514 1.00 57.22 C ATOM 1191 C ARG A 136 30.386 -18.939 7.225 1.00 57.30 C ATOM 1192 O ARG A 136 29.776 -19.210 6.183 1.00 50.45 O ATOM 1193 CB ARG A 136 29.564 -19.911 9.367 1.00 63.05 C ATOM 1194 CG ARG A 136 28.566 -19.860 10.513 1.00 73.99 C ATOM 1195 CD ARG A 136 29.103 -19.042 11.672 1.00 76.01 C ATOM 1196 NE ARG A 136 30.457 -19.453 12.028 1.00 83.06 N ATOM 1197 CZ ARG A 136 31.056 -19.137 13.171 1.00 93.67 C ATOM 1198 NH1 ARG A 136 30.414 -18.411 14.076 1.00101.17 N ATOM 1199 NH2 ARG A 136 32.292 -19.552 13.412 1.00 90.40 N ATOM 1200 HE ARG A 136 30.987 -20.030 11.344 1.00 0.00 H ATOM 1201 HH12 ARG A 136 30.882 -18.163 14.971 1.00 0.00 H ATOM 1202 HH11 ARG A 136 29.442 -18.089 13.891 1.00 0.00 H ATOM 1203 HH22 ARG A 136 32.759 -19.303 14.308 1.00 0.00 H ATOM 1204 HH21 ARG A 136 32.795 -20.126 12.706 1.00 0.00 H ATOM 1205 H ARG A 136 27.624 -18.765 7.655 1.00 0.00 H ATOM 1206 N ALA A 137 31.717 -18.892 7.289 1.00 46.57 N ATOM 1207 CA ALA A 137 32.539 -19.282 6.138 1.00 49.64 C ATOM 1208 C ALA A 137 32.190 -20.709 5.754 1.00 41.84 C ATOM 1209 O ALA A 137 32.198 -21.597 6.598 1.00 43.82 O ATOM 1210 CB ALA A 137 34.023 -19.181 6.461 1.00 48.97 C ATOM 1211 H ALA A 137 32.178 -18.575 8.166 1.00 0.00 H ATOM 1212 N GLY A 138 31.852 -20.927 4.487 1.00 40.74 N ATOM 1213 CA GLY A 138 31.707 -22.295 3.992 1.00 40.90 C ATOM 1214 C GLY A 138 32.419 -22.481 2.664 1.00 37.22 C ATOM 1215 O GLY A 138 33.033 -21.544 2.134 1.00 36.62 O ATOM 1216 H GLY A 138 31.690 -20.123 3.847 1.00 0.00 H ATOM 1217 N THR A 139 32.322 -23.687 2.118 1.00 33.88 N ATOM 1218 CA THR A 139 33.019 -24.043 0.881 1.00 33.02 C ATOM 1219 C THR A 139 32.116 -24.882 -0.025 1.00 32.42 C ATOM 1220 O THR A 139 31.458 -25.811 0.439 1.00 33.17 O ATOM 1221 CB THR A 139 34.272 -24.880 1.197 1.00 31.48 C ATOM 1222 OG1 THR A 139 35.104 -24.157 2.111 1.00 33.35 O ATOM 1223 CG2 THR A 139 35.064 -25.191 -0.100 1.00 29.30 C ATOM 1224 HG1 THR A 139 34.601 -23.983 2.946 1.00 0.00 H ATOM 1225 H THR A 139 31.730 -24.404 2.585 1.00 0.00 H ATOM 1226 N MET A 140 32.069 -24.552 -1.312 1.00 30.64 N ATOM 1227 CA MET A 140 31.384 -25.424 -2.266 1.00 30.97 C ATOM 1228 C MET A 140 32.436 -26.176 -3.075 1.00 30.93 C ATOM 1229 O MET A 140 33.375 -25.559 -3.597 1.00 30.99 O ATOM 1230 CB MET A 140 30.474 -24.606 -3.192 1.00 31.81 C ATOM 1231 CG MET A 140 29.820 -25.448 -4.285 1.00 33.51 C ATOM 1232 SD MET A 140 28.723 -24.512 -5.376 1.00 42.32 S ATOM 1233 CE MET A 140 29.882 -23.469 -6.243 1.00 39.65 C ATOM 1234 H MET A 140 32.519 -23.674 -1.640 1.00 0.00 H ATOM 1235 N VAL A 141 32.291 -27.499 -3.160 1.00 28.42 N ATOM 1236 CA VAL A 141 33.204 -28.329 -3.966 1.00 26.58 C ATOM 1237 C VAL A 141 32.425 -28.858 -5.155 1.00 29.03 C ATOM 1238 O VAL A 141 31.290 -29.301 -5.002 1.00 29.32 O ATOM 1239 CB VAL A 141 33.766 -29.513 -3.158 1.00 28.81 C ATOM 1240 CG1 VAL A 141 34.706 -30.375 -4.018 1.00 28.14 C ATOM 1241 CG2 VAL A 141 34.520 -28.995 -1.924 1.00 32.84 C ATOM 1242 H VAL A 141 31.513 -27.957 -2.644 1.00 0.00 H ATOM 1243 N ILE A 142 33.021 -28.772 -6.341 1.00 27.10 N ATOM 1244 CA ILE A 142 32.443 -29.358 -7.545 1.00 25.00 C ATOM 1245 C ILE A 142 33.467 -30.312 -8.119 1.00 28.21 C ATOM 1246 O ILE A 142 34.607 -29.916 -8.386 1.00 28.18 O ATOM 1247 CB ILE A 142 32.164 -28.292 -8.614 1.00 28.65 C ATOM 1248 CG1 ILE A 142 31.240 -27.198 -8.047 1.00 32.97 C ATOM 1249 CG2 ILE A 142 31.558 -28.939 -9.860 1.00 28.77 C ATOM 1250 CD1 ILE A 142 31.059 -26.001 -8.953 1.00 39.95 C ATOM 1251 H ILE A 142 33.929 -28.270 -6.412 1.00 0.00 H ATOM 1252 N GLU A 143 33.089 -31.571 -8.280 1.00 23.90 N ATOM 1253 CA GLU A 143 33.960 -32.536 -8.933 1.00 26.05 C ATOM 1254 C GLU A 143 33.277 -33.132 -10.151 1.00 30.56 C ATOM 1255 O GLU A 143 32.153 -33.639 -10.055 1.00 29.00 O ATOM 1256 CB GLU A 143 34.369 -33.669 -7.986 1.00 25.96 C ATOM 1257 CG GLU A 143 35.320 -34.647 -8.670 1.00 26.43 C ATOM 1258 CD GLU A 143 36.098 -35.513 -7.693 1.00 33.25 C ATOM 1259 OE1 GLU A 143 35.643 -35.673 -6.543 1.00 34.82 O ATOM 1260 OE2 GLU A 143 37.176 -36.017 -8.081 1.00 41.07 O ATOM 1261 H GLU A 143 32.156 -31.874 -7.935 1.00 0.00 H ATOM 1262 N SER A 144 33.933 -33.033 -11.302 1.00 25.11 N ATOM 1263 CA SER A 144 33.365 -33.582 -12.535 1.00 27.13 C ATOM 1264 C SER A 144 34.336 -34.581 -13.103 1.00 28.44 C ATOM 1265 O SER A 144 35.556 -34.485 -12.864 1.00 26.21 O ATOM 1266 CB SER A 144 33.064 -32.472 -13.539 1.00 31.53 C ATOM 1267 OG SER A 144 34.250 -31.797 -13.881 1.00 39.89 O ATOM 1268 HG SER A 144 34.888 -32.437 -14.285 1.00 0.00 H ATOM 1269 H SER A 144 34.859 -32.561 -11.328 1.00 0.00 H ATOM 1270 N PHE A 145 33.813 -35.570 -13.818 1.00 25.15 N ATOM 1271 CA PHE A 145 34.662 -36.598 -14.386 1.00 24.76 C ATOM 1272 C PHE A 145 34.199 -36.946 -15.786 1.00 26.47 C ATOM 1273 O PHE A 145 33.038 -36.690 -16.164 1.00 28.10 O ATOM 1274 CB PHE A 145 34.640 -37.861 -13.524 1.00 22.18 C ATOM 1275 CG PHE A 145 33.293 -38.536 -13.487 1.00 24.98 C ATOM 1276 CD1 PHE A 145 32.930 -39.463 -14.478 1.00 27.41 C ATOM 1277 CD2 PHE A 145 32.377 -38.221 -12.497 1.00 25.90 C ATOM 1278 CE1 PHE A 145 31.678 -40.080 -14.436 1.00 28.68 C ATOM 1279 CE2 PHE A 145 31.113 -38.824 -12.460 1.00 28.36 C ATOM 1280 CZ PHE A 145 30.772 -39.749 -13.431 1.00 29.03 C ATOM 1281 H PHE A 145 32.785 -35.607 -13.972 1.00 0.00 H ATOM 1282 N VAL A 146 35.108 -37.531 -16.558 1.00 26.14 N ATOM 1283 CA VAL A 146 34.743 -38.191 -17.801 1.00 24.21 C ATOM 1284 C VAL A 146 35.398 -39.547 -17.698 1.00 25.77 C ATOM 1285 O VAL A 146 36.493 -39.668 -17.115 1.00 27.52 O ATOM 1286 CB VAL A 146 35.298 -37.453 -19.052 1.00 32.98 C ATOM 1287 CG1 VAL A 146 34.920 -38.209 -20.311 1.00 31.00 C ATOM 1288 CG2 VAL A 146 34.752 -36.040 -19.115 1.00 40.58 C ATOM 1289 H VAL A 146 36.106 -37.517 -16.266 1.00 0.00 H ATOM 1290 N VAL A 147 34.741 -40.576 -18.226 1.00 25.22 N ATOM 1291 CA VAL A 147 35.317 -41.907 -18.195 1.00 27.52 C ATOM 1292 C VAL A 147 34.709 -42.757 -19.312 1.00 30.02 C ATOM 1293 O VAL A 147 33.569 -42.527 -19.707 1.00 30.07 O ATOM 1294 CB VAL A 147 35.057 -42.587 -16.824 1.00 27.92 C ATOM 1295 CG1 VAL A 147 33.559 -42.865 -16.624 1.00 27.19 C ATOM 1296 CG2 VAL A 147 35.873 -43.872 -16.696 1.00 27.34 C ATOM 1297 H VAL A 147 33.810 -40.426 -18.663 1.00 0.00 H ATOM 1298 N ASP A 148 35.460 -43.749 -19.785 1.00 30.23 N ATOM 1299 CA ASP A 148 34.930 -44.695 -20.773 1.00 31.66 C ATOM 1300 C ASP A 148 33.913 -45.617 -20.157 1.00 35.12 C ATOM 1301 O ASP A 148 34.004 -46.001 -18.970 1.00 33.57 O ATOM 1302 CB ASP A 148 36.047 -45.536 -21.396 1.00 33.36 C ATOM 1303 CG ASP A 148 36.965 -44.726 -22.289 1.00 37.60 C ATOM 1304 OD1 ASP A 148 36.693 -43.534 -22.532 1.00 36.00 O ATOM 1305 OD2 ASP A 148 37.984 -45.288 -22.732 1.00 42.19 O ATOM 1306 H ASP A 148 36.438 -43.855 -19.449 1.00 0.00 H ATOM 1307 N VAL A 149 32.922 -45.977 -20.966 1.00 31.72 N ATOM 1308 CA VAL A 149 31.941 -46.976 -20.565 1.00 28.73 C ATOM 1309 C VAL A 149 32.578 -48.336 -20.841 1.00 41.09 C ATOM 1310 O VAL A 149 32.939 -48.623 -21.991 1.00 39.42 O ATOM 1311 CB VAL A 149 30.650 -46.836 -21.412 1.00 33.33 C ATOM 1312 CG1 VAL A 149 29.676 -47.979 -21.118 1.00 33.85 C ATOM 1313 CG2 VAL A 149 30.002 -45.475 -21.187 1.00 34.67 C ATOM 1314 H VAL A 149 32.845 -45.536 -21.905 1.00 0.00 H ATOM 1315 N PRO A 150 32.737 -49.178 -19.803 1.00 40.49 N ATOM 1316 CA PRO A 150 33.337 -50.489 -20.063 1.00 45.51 C ATOM 1317 C PRO A 150 32.452 -51.374 -20.955 1.00 46.34 C ATOM 1318 O PRO A 150 31.227 -51.227 -20.982 1.00 42.39 O ATOM 1319 CB PRO A 150 33.545 -51.096 -18.662 1.00 44.06 C ATOM 1320 CG PRO A 150 32.781 -50.252 -17.720 1.00 37.58 C ATOM 1321 CD PRO A 150 32.390 -48.968 -18.382 1.00 36.22 C ATOM 1322 N GLN A 151 33.087 -52.279 -21.691 1.00 54.15 N ATOM 1323 CA GLN A 151 32.450 -52.940 -22.832 1.00 64.96 C ATOM 1324 C GLN A 151 30.945 -53.207 -22.686 1.00 73.85 C ATOM 1325 O GLN A 151 30.134 -52.621 -23.406 1.00 93.63 O ATOM 1326 CB GLN A 151 33.198 -54.223 -23.204 1.00 69.63 C ATOM 1327 CG GLN A 151 32.718 -54.851 -24.502 1.00 86.92 C ATOM 1328 CD GLN A 151 33.362 -56.197 -24.767 1.00 98.10 C ATOM 1329 OE1 GLN A 151 32.784 -57.054 -25.436 1.00101.00 O ATOM 1330 NE2 GLN A 151 34.564 -56.392 -24.236 1.00 96.32 N ATOM 1331 HE22 GLN A 151 35.014 -55.639 -23.678 1.00 0.00 H ATOM 1332 HE21 GLN A 151 35.055 -57.298 -24.379 1.00 0.00 H ATOM 1333 H GLN A 151 34.068 -52.526 -21.449 1.00 0.00 H ATOM 1334 N GLY A 152 30.573 -54.094 -21.769 1.00 53.29 N ATOM 1335 CA GLY A 152 29.179 -54.531 -21.668 1.00 54.51 C ATOM 1336 C GLY A 152 28.249 -53.667 -20.827 1.00 53.93 C ATOM 1337 O GLY A 152 27.197 -54.133 -20.414 1.00 56.27 O ATOM 1338 H GLY A 152 31.281 -54.483 -21.114 1.00 0.00 H ATOM 1339 N ASN A 153 28.620 -52.409 -20.572 1.00 42.33 N ATOM 1340 CA ASN A 153 27.772 -51.513 -19.775 1.00 35.51 C ATOM 1341 C ASN A 153 27.192 -50.355 -20.587 1.00 34.90 C ATOM 1342 O ASN A 153 27.519 -50.186 -21.753 1.00 39.23 O ATOM 1343 CB ASN A 153 28.578 -50.922 -18.604 1.00 38.27 C ATOM 1344 CG ASN A 153 28.864 -51.940 -17.514 1.00 38.44 C ATOM 1345 OD1 ASN A 153 30.012 -52.334 -17.324 1.00 44.35 O ATOM 1346 ND2 ASN A 153 27.822 -52.383 -16.802 1.00 37.75 N ATOM 1347 HD22 ASN A 153 26.867 -52.021 -16.998 1.00 0.00 H ATOM 1348 HD21 ASN A 153 27.967 -53.089 -16.053 1.00 0.00 H ATOM 1349 H ASN A 153 29.525 -52.058 -20.944 1.00 0.00 H ATOM 1350 N THR A 154 26.356 -49.541 -19.945 1.00 36.99 N ATOM 1351 CA THR A 154 25.773 -48.358 -20.573 1.00 37.63 C ATOM 1352 C THR A 154 26.365 -47.107 -19.947 1.00 43.30 C ATOM 1353 O THR A 154 26.938 -47.175 -18.843 1.00 34.15 O ATOM 1354 CB THR A 154 24.239 -48.285 -20.368 1.00 35.74 C ATOM 1355 OG1 THR A 154 23.920 -48.266 -18.974 1.00 39.73 O ATOM 1356 CG2 THR A 154 23.530 -49.481 -21.034 1.00 42.62 C ATOM 1357 HG1 THR A 154 22.937 -48.219 -18.862 1.00 0.00 H ATOM 1358 H THR A 154 26.109 -49.756 -18.958 1.00 0.00 H ATOM 1359 N LYS A 155 26.207 -45.969 -20.626 1.00 36.88 N ATOM 1360 CA LYS A 155 26.562 -44.668 -20.033 1.00 35.97 C ATOM 1361 C LYS A 155 25.875 -44.452 -18.674 1.00 36.79 C ATOM 1362 O LYS A 155 26.487 -43.948 -17.717 1.00 32.14 O ATOM 1363 CB LYS A 155 26.137 -43.523 -20.954 1.00 39.20 C ATOM 1364 CG LYS A 155 26.956 -43.325 -22.221 1.00 44.35 C ATOM 1365 CD LYS A 155 26.370 -42.154 -23.001 1.00 44.16 C ATOM 1366 CE LYS A 155 26.796 -42.146 -24.460 1.00 56.12 C ATOM 1367 NZ LYS A 155 28.149 -41.541 -24.611 1.00 52.90 N ATOM 1368 HZ1 LYS A 155 28.131 -40.562 -24.260 1.00 0.00 H ATOM 1369 HZ2 LYS A 155 28.838 -42.094 -24.062 1.00 0.00 H ATOM 1370 HZ3 LYS A 155 28.420 -41.546 -25.615 1.00 0.00 H ATOM 1371 H LYS A 155 25.826 -46.001 -21.593 1.00 0.00 H ATOM 1372 N ASP A 156 24.596 -44.804 -18.585 1.00 33.93 N ATOM 1373 CA ASP A 156 23.847 -44.545 -17.339 1.00 35.14 C ATOM 1374 C ASP A 156 24.423 -45.279 -16.160 1.00 30.93 C ATOM 1375 O ASP A 156 24.634 -44.676 -15.106 1.00 32.58 O ATOM 1376 CB ASP A 156 22.386 -44.978 -17.482 1.00 41.44 C ATOM 1377 CG ASP A 156 21.610 -44.081 -18.404 1.00 52.34 C ATOM 1378 OD1 ASP A 156 21.936 -42.872 -18.437 1.00 53.69 O ATOM 1379 OD2 ASP A 156 20.668 -44.574 -19.071 1.00 46.39 O ATOM 1380 H ASP A 156 24.124 -45.261 -19.391 1.00 0.00 H ATOM 1381 N GLU A 157 24.638 -46.585 -16.333 1.00 29.90 N ATOM 1382 CA GLU A 157 25.169 -47.451 -15.274 1.00 31.74 C ATOM 1383 C GLU A 157 26.523 -46.962 -14.838 1.00 27.74 C ATOM 1384 O GLU A 157 26.832 -46.888 -13.640 1.00 26.42 O ATOM 1385 CB GLU A 157 25.327 -48.881 -15.784 1.00 35.61 C ATOM 1386 CG GLU A 157 24.005 -49.559 -16.094 1.00 51.27 C ATOM 1387 CD GLU A 157 24.158 -50.720 -17.056 1.00 45.89 C ATOM 1388 OE1 GLU A 157 25.298 -51.009 -17.492 1.00 41.37 O ATOM 1389 OE2 GLU A 157 23.120 -51.349 -17.374 1.00 48.30 O ATOM 1390 H GLU A 157 24.420 -47.007 -17.258 1.00 0.00 H ATOM 1391 N THR A 158 27.352 -46.640 -15.818 1.00 27.83 N ATOM 1392 CA THR A 158 28.726 -46.218 -15.510 1.00 27.85 C ATOM 1393 C THR A 158 28.702 -44.927 -14.733 1.00 29.22 C ATOM 1394 O THR A 158 29.360 -44.783 -13.704 1.00 27.33 O ATOM 1395 CB THR A 158 29.540 -46.049 -16.814 1.00 26.87 C ATOM 1396 OG1 THR A 158 29.514 -47.287 -17.537 1.00 28.07 O ATOM 1397 CG2 THR A 158 31.023 -45.637 -16.504 1.00 25.30 C ATOM 1398 HG1 THR A 158 28.577 -47.522 -17.753 1.00 0.00 H ATOM 1399 H THR A 158 27.031 -46.686 -16.806 1.00 0.00 H ATOM 1400 N CYS A 159 27.926 -43.970 -15.209 1.00 28.55 N ATOM 1401 CA CYS A 159 27.819 -42.701 -14.506 1.00 28.17 C ATOM 1402 C CYS A 159 27.305 -42.841 -13.063 1.00 30.53 C ATOM 1403 O CYS A 159 27.841 -42.234 -12.119 1.00 26.42 O ATOM 1404 CB CYS A 159 26.930 -41.781 -15.332 1.00 37.03 C ATOM 1405 SG CYS A 159 26.482 -40.212 -14.599 1.00 50.76 S ATOM 1406 H CYS A 159 27.391 -44.124 -16.087 1.00 0.00 H ATOM 1407 N TYR A 160 26.250 -43.627 -12.880 1.00 27.21 N ATOM 1408 CA TYR A 160 25.653 -43.737 -11.545 1.00 25.89 C ATOM 1409 C TYR A 160 26.590 -44.414 -10.577 1.00 21.97 C ATOM 1410 O TYR A 160 26.611 -44.068 -9.389 1.00 27.07 O ATOM 1411 CB TYR A 160 24.302 -44.485 -11.599 1.00 29.04 C ATOM 1412 CG TYR A 160 23.219 -43.786 -12.406 1.00 32.62 C ATOM 1413 CD1 TYR A 160 22.213 -44.514 -13.026 1.00 31.74 C ATOM 1414 CD2 TYR A 160 23.216 -42.405 -12.573 1.00 35.88 C ATOM 1415 CE1 TYR A 160 21.230 -43.891 -13.779 1.00 36.86 C ATOM 1416 CE2 TYR A 160 22.237 -41.768 -13.332 1.00 45.09 C ATOM 1417 CZ TYR A 160 21.239 -42.523 -13.933 1.00 42.76 C ATOM 1418 OH TYR A 160 20.257 -41.916 -14.702 1.00 39.33 O ATOM 1419 HH TYR A 160 20.680 -41.442 -15.461 1.00 0.00 H ATOM 1420 H TYR A 160 25.850 -44.161 -13.678 1.00 0.00 H ATOM 1421 N PHE A 161 27.345 -45.394 -11.040 1.00 24.13 N ATOM 1422 CA PHE A 161 28.268 -46.104 -10.140 1.00 26.11 C ATOM 1423 C PHE A 161 29.449 -45.191 -9.755 1.00 27.81 C ATOM 1424 O PHE A 161 29.845 -45.095 -8.580 1.00 24.75 O ATOM 1425 CB PHE A 161 28.797 -47.378 -10.817 1.00 27.65 C ATOM 1426 CG PHE A 161 27.911 -48.605 -10.618 1.00 29.76 C ATOM 1427 CD1 PHE A 161 26.532 -48.535 -10.814 1.00 27.79 C ATOM 1428 CD2 PHE A 161 28.474 -49.833 -10.270 1.00 31.01 C ATOM 1429 CE1 PHE A 161 25.726 -49.667 -10.624 1.00 32.01 C ATOM 1430 CE2 PHE A 161 27.681 -50.968 -10.082 1.00 31.60 C ATOM 1431 CZ PHE A 161 26.305 -50.884 -10.267 1.00 29.92 C ATOM 1432 H PHE A 161 27.287 -45.664 -12.043 1.00 0.00 H ATOM 1433 N VAL A 162 30.019 -44.529 -10.751 1.00 25.09 N ATOM 1434 CA VAL A 162 31.108 -43.549 -10.489 1.00 24.22 C ATOM 1435 C VAL A 162 30.606 -42.407 -9.616 1.00 23.76 C ATOM 1436 O VAL A 162 31.260 -42.013 -8.626 1.00 25.99 O ATOM 1437 CB VAL A 162 31.741 -43.043 -11.829 1.00 24.46 C ATOM 1438 CG1 VAL A 162 32.767 -41.937 -11.553 1.00 27.60 C ATOM 1439 CG2 VAL A 162 32.437 -44.195 -12.525 1.00 26.07 C ATOM 1440 H VAL A 162 29.702 -44.696 -11.727 1.00 0.00 H ATOM 1441 N GLU A 163 29.418 -41.886 -9.913 1.00 25.02 N ATOM 1442 CA GLU A 163 28.831 -40.878 -9.022 1.00 26.93 C ATOM 1443 C GLU A 163 28.749 -41.351 -7.572 1.00 31.50 C ATOM 1444 O GLU A 163 28.980 -40.559 -6.658 1.00 26.91 O ATOM 1445 CB GLU A 163 27.429 -40.440 -9.484 1.00 32.27 C ATOM 1446 CG GLU A 163 27.411 -39.417 -10.624 1.00 28.88 C ATOM 1447 CD GLU A 163 25.986 -39.164 -11.121 1.00 41.92 C ATOM 1448 OE1 GLU A 163 25.784 -38.357 -12.053 1.00 37.94 O ATOM 1449 OE2 GLU A 163 25.054 -39.783 -10.580 1.00 40.90 O ATOM 1450 H GLU A 163 28.910 -42.190 -10.768 1.00 0.00 H ATOM 1451 N ALA A 164 28.380 -42.614 -7.347 1.00 28.49 N ATOM 1452 CA ALA A 164 28.283 -43.098 -5.952 1.00 27.41 C ATOM 1453 C ALA A 164 29.642 -42.992 -5.277 1.00 23.66 C ATOM 1454 O ALA A 164 29.728 -42.614 -4.112 1.00 24.98 O ATOM 1455 CB ALA A 164 27.804 -44.539 -5.897 1.00 27.29 C ATOM 1456 H ALA A 164 28.164 -43.249 -8.141 1.00 0.00 H ATOM 1457 N LEU A 165 30.700 -43.361 -5.997 1.00 23.66 N ATOM 1458 CA LEU A 165 32.041 -43.290 -5.424 1.00 24.62 C ATOM 1459 C LEU A 165 32.418 -41.841 -5.095 1.00 24.12 C ATOM 1460 O LEU A 165 32.957 -41.537 -4.004 1.00 23.83 O ATOM 1461 CB LEU A 165 33.066 -43.891 -6.395 1.00 23.82 C ATOM 1462 CG LEU A 165 32.941 -45.391 -6.684 1.00 24.41 C ATOM 1463 CD1 LEU A 165 33.850 -45.800 -7.835 1.00 27.98 C ATOM 1464 CD2 LEU A 165 33.248 -46.218 -5.431 1.00 26.05 C ATOM 1465 H LEU A 165 30.570 -43.701 -6.971 1.00 0.00 H ATOM 1466 N ILE A 166 32.188 -40.935 -6.045 1.00 24.06 N ATOM 1467 CA ILE A 166 32.533 -39.526 -5.785 1.00 23.56 C ATOM 1468 C ILE A 166 31.706 -38.954 -4.622 1.00 23.50 C ATOM 1469 O ILE A 166 32.210 -38.191 -3.796 1.00 23.89 O ATOM 1470 CB ILE A 166 32.383 -38.658 -7.052 1.00 26.51 C ATOM 1471 CG1 ILE A 166 33.443 -39.098 -8.088 1.00 27.60 C ATOM 1472 CG2 ILE A 166 32.566 -37.177 -6.708 1.00 26.91 C ATOM 1473 CD1 ILE A 166 33.141 -38.635 -9.492 1.00 30.39 C ATOM 1474 H ILE A 166 31.772 -41.218 -6.955 1.00 0.00 H ATOM 1475 N ARG A 167 30.431 -39.325 -4.545 1.00 22.95 N ATOM 1476 CA ARG A 167 29.609 -38.847 -3.434 1.00 24.16 C ATOM 1477 C ARG A 167 30.132 -39.341 -2.123 1.00 23.91 C ATOM 1478 O ARG A 167 30.092 -38.600 -1.116 1.00 25.44 O ATOM 1479 CB ARG A 167 28.134 -39.269 -3.596 1.00 24.88 C ATOM 1480 CG ARG A 167 27.533 -38.570 -4.791 1.00 34.71 C ATOM 1481 CD ARG A 167 26.280 -37.807 -4.410 1.00 65.13 C ATOM 1482 NE ARG A 167 25.184 -38.683 -4.022 1.00 49.02 N ATOM 1483 CZ ARG A 167 24.194 -38.322 -3.207 1.00 71.92 C ATOM 1484 NH1 ARG A 167 24.173 -37.104 -2.678 1.00 89.30 N ATOM 1485 NH2 ARG A 167 23.228 -39.178 -2.911 1.00 51.84 N ATOM 1486 HE ARG A 167 25.173 -39.650 -4.405 1.00 0.00 H ATOM 1487 HH12 ARG A 167 23.398 -36.826 -2.042 1.00 0.00 H ATOM 1488 HH11 ARG A 167 24.931 -36.428 -2.900 1.00 0.00 H ATOM 1489 HH22 ARG A 167 22.457 -38.892 -2.274 1.00 0.00 H ATOM 1490 HH21 ARG A 167 23.240 -40.136 -3.315 1.00 0.00 H ATOM 1491 H ARG A 167 30.022 -39.950 -5.269 1.00 0.00 H ATOM 1492 N CYS A 168 30.598 -40.591 -2.094 1.00 22.97 N ATOM 1493 CA CYS A 168 31.241 -41.090 -0.839 1.00 24.91 C ATOM 1494 C CYS A 168 32.455 -40.229 -0.471 1.00 26.10 C ATOM 1495 O CYS A 168 32.666 -39.847 0.688 1.00 23.41 O ATOM 1496 CB CYS A 168 31.720 -42.537 -1.002 1.00 23.54 C ATOM 1497 SG CYS A 168 30.368 -43.780 -1.037 1.00 28.41 S ATOM 1498 H CYS A 168 30.516 -41.207 -2.928 1.00 0.00 H ATOM 1499 N ASN A 169 33.303 -39.995 -1.457 1.00 23.13 N ATOM 1500 CA ASN A 169 34.473 -39.148 -1.247 1.00 24.09 C ATOM 1501 C ASN A 169 34.129 -37.725 -0.782 1.00 23.95 C ATOM 1502 O ASN A 169 34.766 -37.215 0.144 1.00 24.91 O ATOM 1503 CB ASN A 169 35.333 -39.064 -2.530 1.00 23.06 C ATOM 1504 CG ASN A 169 35.979 -40.393 -2.900 1.00 26.97 C ATOM 1505 OD1 ASN A 169 36.103 -41.320 -2.081 1.00 25.65 O ATOM 1506 ND2 ASN A 169 36.469 -40.462 -4.122 1.00 25.06 N ATOM 1507 HD22 ASN A 169 36.344 -39.665 -4.778 1.00 0.00 H ATOM 1508 HD21 ASN A 169 36.980 -41.314 -4.430 1.00 0.00 H ATOM 1509 H ASN A 169 33.135 -40.419 -2.392 1.00 0.00 H ATOM 1510 N LEU A 170 33.169 -37.068 -1.432 1.00 21.72 N ATOM 1511 CA LEU A 170 32.858 -35.674 -1.065 1.00 23.77 C ATOM 1512 C LEU A 170 32.110 -35.596 0.274 1.00 26.39 C ATOM 1513 O LEU A 170 32.267 -34.638 1.018 1.00 25.06 O ATOM 1514 CB LEU A 170 32.044 -34.976 -2.151 1.00 25.37 C ATOM 1515 CG LEU A 170 32.788 -34.880 -3.496 1.00 23.84 C ATOM 1516 CD1 LEU A 170 31.920 -34.158 -4.503 1.00 27.76 C ATOM 1517 CD2 LEU A 170 34.133 -34.169 -3.291 1.00 26.38 C ATOM 1518 H LEU A 170 32.641 -37.537 -2.196 1.00 0.00 H ATOM 1519 N LYS A 171 31.287 -36.601 0.570 1.00 24.63 N ATOM 1520 CA LYS A 171 30.634 -36.639 1.896 1.00 26.68 C ATOM 1521 C LYS A 171 31.676 -36.801 2.996 1.00 26.01 C ATOM 1522 O LYS A 171 31.615 -36.146 4.064 1.00 25.49 O ATOM 1523 CB LYS A 171 29.597 -37.776 1.966 1.00 27.19 C ATOM 1524 CG LYS A 171 28.942 -37.874 3.347 1.00 31.95 C ATOM 1525 CD LYS A 171 28.191 -36.581 3.659 1.00 28.62 C ATOM 1526 CE LYS A 171 27.153 -36.778 4.769 1.00 39.92 C ATOM 1527 NZ LYS A 171 27.795 -37.335 5.986 1.00 36.23 N ATOM 1528 HZ1 LYS A 171 28.227 -38.253 5.759 1.00 0.00 H ATOM 1529 HZ2 LYS A 171 28.529 -36.678 6.321 1.00 0.00 H ATOM 1530 HZ3 LYS A 171 27.077 -37.462 6.728 1.00 0.00 H ATOM 1531 H LYS A 171 31.105 -37.352 -0.126 1.00 0.00 H ATOM 1532 N SER A 172 32.626 -37.699 2.768 1.00 25.52 N ATOM 1533 CA SER A 172 33.697 -37.888 3.750 1.00 26.04 C ATOM 1534 C SER A 172 34.559 -36.617 3.840 1.00 28.48 C ATOM 1535 O SER A 172 34.925 -36.194 4.933 1.00 26.23 O ATOM 1536 CB SER A 172 34.546 -39.118 3.395 1.00 25.70 C ATOM 1537 OG SER A 172 35.590 -39.329 4.339 1.00 29.60 O ATOM 1538 HG SER A 172 36.113 -40.128 4.077 1.00 0.00 H ATOM 1539 H SER A 172 32.610 -38.266 1.896 1.00 0.00 H ATOM 1540 N LEU A 173 34.875 -36.010 2.693 1.00 25.38 N ATOM 1541 CA LEU A 173 35.612 -34.723 2.707 1.00 27.70 C ATOM 1542 C LEU A 173 34.874 -33.689 3.577 1.00 27.19 C ATOM 1543 O LEU A 173 35.499 -32.975 4.381 1.00 28.19 O ATOM 1544 CB LEU A 173 35.749 -34.174 1.294 1.00 26.41 C ATOM 1545 CG LEU A 173 36.399 -32.784 1.197 1.00 26.53 C ATOM 1546 CD1 LEU A 173 37.858 -32.833 1.668 1.00 25.83 C ATOM 1547 CD2 LEU A 173 36.283 -32.284 -0.244 1.00 25.33 C ATOM 1548 H LEU A 173 34.603 -36.441 1.787 1.00 0.00 H ATOM 1549 N ALA A 174 33.553 -33.619 3.423 1.00 25.54 N ATOM 1550 CA ALA A 174 32.752 -32.669 4.208 1.00 27.77 C ATOM 1551 C ALA A 174 32.811 -33.015 5.691 1.00 31.46 C ATOM 1552 O ALA A 174 32.980 -32.125 6.531 1.00 30.35 O ATOM 1553 CB ALA A 174 31.303 -32.628 3.728 1.00 27.14 C ATOM 1554 H ALA A 174 33.082 -34.245 2.738 1.00 0.00 H ATOM 1555 N ASP A 175 32.659 -34.299 6.018 1.00 30.65 N ATOM 1556 CA ASP A 175 32.647 -34.717 7.430 1.00 34.54 C ATOM 1557 C ASP A 175 33.958 -34.337 8.117 1.00 34.54 C ATOM 1558 O ASP A 175 33.971 -33.783 9.238 1.00 33.87 O ATOM 1559 CB ASP A 175 32.457 -36.239 7.565 1.00 32.44 C ATOM 1560 CG ASP A 175 31.064 -36.722 7.148 1.00 40.02 C ATOM 1561 OD1 ASP A 175 30.121 -35.911 6.969 1.00 36.88 O ATOM 1562 OD2 ASP A 175 30.926 -37.954 6.999 1.00 42.56 O ATOM 1563 H ASP A 175 32.548 -35.012 5.269 1.00 0.00 H ATOM 1564 N VAL A 176 35.067 -34.682 7.467 1.00 29.07 N ATOM 1565 CA VAL A 176 36.404 -34.423 8.000 1.00 28.86 C ATOM 1566 C VAL A 176 36.630 -32.923 8.120 1.00 32.10 C ATOM 1567 O VAL A 176 37.127 -32.443 9.157 1.00 30.96 O ATOM 1568 CB VAL A 176 37.528 -35.075 7.140 1.00 25.85 C ATOM 1569 CG1 VAL A 176 38.913 -34.653 7.629 1.00 29.92 C ATOM 1570 CG2 VAL A 176 37.422 -36.594 7.154 1.00 27.64 C ATOM 1571 H VAL A 176 34.979 -35.154 6.544 1.00 0.00 H ATOM 1572 N SER A 177 36.265 -32.180 7.074 1.00 28.25 N ATOM 1573 CA SER A 177 36.459 -30.726 7.089 1.00 28.64 C ATOM 1574 C SER A 177 35.683 -30.076 8.220 1.00 31.84 C ATOM 1575 O SER A 177 36.214 -29.202 8.920 1.00 32.48 O ATOM 1576 CB SER A 177 36.044 -30.077 5.768 1.00 27.50 C ATOM 1577 OG SER A 177 36.857 -30.577 4.707 1.00 26.23 O ATOM 1578 HG SER A 177 36.743 -31.558 4.640 1.00 0.00 H ATOM 1579 H SER A 177 35.840 -32.635 6.241 1.00 0.00 H ATOM 1580 N GLU A 178 34.436 -30.496 8.395 1.00 31.01 N ATOM 1581 CA GLU A 178 33.573 -29.862 9.398 1.00 31.53 C ATOM 1582 C GLU A 178 34.027 -30.234 10.811 1.00 36.52 C ATOM 1583 O GLU A 178 33.984 -29.405 11.728 1.00 38.93 O ATOM 1584 CB GLU A 178 32.102 -30.206 9.143 1.00 33.71 C ATOM 1585 CG GLU A 178 31.540 -29.448 7.940 1.00 34.07 C ATOM 1586 CD GLU A 178 30.229 -30.018 7.437 1.00 37.97 C ATOM 1587 OE1 GLU A 178 29.694 -30.948 8.072 1.00 40.58 O ATOM 1588 OE2 GLU A 178 29.726 -29.524 6.406 1.00 36.13 O ATOM 1589 H GLU A 178 34.069 -31.279 7.818 1.00 0.00 H ATOM 1590 N ARG A 179 34.501 -31.466 10.976 1.00 33.95 N ATOM 1591 CA ARG A 179 35.126 -31.880 12.241 1.00 41.24 C ATOM 1592 C ARG A 179 36.351 -31.012 12.571 1.00 46.86 C ATOM 1593 O ARG A 179 36.496 -30.508 13.692 1.00 43.37 O ATOM 1594 CB ARG A 179 35.534 -33.343 12.140 1.00 40.54 C ATOM 1595 CG ARG A 179 35.395 -34.138 13.420 1.00 62.44 C ATOM 1596 CD ARG A 179 34.647 -35.431 13.133 1.00 59.14 C ATOM 1597 NE ARG A 179 35.278 -36.231 12.083 1.00 54.05 N ATOM 1598 CZ ARG A 179 34.607 -36.994 11.218 1.00 63.80 C ATOM 1599 NH1 ARG A 179 33.283 -37.047 11.261 1.00 61.93 N ATOM 1600 NH2 ARG A 179 35.255 -37.696 10.300 1.00 54.47 N ATOM 1601 HE ARG A 179 36.315 -36.203 12.006 1.00 0.00 H ATOM 1602 HH12 ARG A 179 32.764 -37.643 10.585 1.00 0.00 H ATOM 1603 HH11 ARG A 179 32.763 -36.493 11.971 1.00 0.00 H ATOM 1604 HH22 ARG A 179 34.726 -38.289 9.629 1.00 0.00 H ATOM 1605 HH21 ARG A 179 36.293 -37.654 10.250 1.00 0.00 H ATOM 1606 H ARG A 179 34.428 -32.149 10.195 1.00 0.00 H ATOM 1607 N LEU A 180 37.247 -30.862 11.598 1.00 38.27 N ATOM 1608 CA LEU A 180 38.425 -30.002 11.755 1.00 36.72 C ATOM 1609 C LEU A 180 38.023 -28.557 12.024 1.00 39.37 C ATOM 1610 O LEU A 180 38.641 -27.894 12.863 1.00 44.66 O ATOM 1611 CB LEU A 180 39.345 -30.085 10.533 1.00 37.47 C ATOM 1612 CG LEU A 180 40.137 -31.386 10.365 1.00 41.19 C ATOM 1613 CD1 LEU A 180 40.833 -31.410 9.013 1.00 44.59 C ATOM 1614 CD2 LEU A 180 41.141 -31.580 11.500 1.00 47.70 C ATOM 1615 H LEU A 180 37.108 -31.369 10.701 1.00 0.00 H ATOM 1616 N ALA A 181 36.983 -28.074 11.342 1.00 37.33 N ATOM 1617 CA ALA A 181 36.523 -26.689 11.515 1.00 41.43 C ATOM 1618 C ALA A 181 36.053 -26.393 12.931 1.00 56.54 C ATOM 1619 O ALA A 181 36.202 -25.273 13.425 1.00 47.06 O ATOM 1620 CB ALA A 181 35.414 -26.354 10.535 1.00 39.59 C ATOM 1621 H ALA A 181 36.485 -28.693 10.671 1.00 0.00 H ATOM 1622 N SER A 182 35.460 -27.379 13.583 1.00 50.15 N ATOM 1623 CA SER A 182 34.924 -27.133 14.913 1.00 62.50 C ATOM 1624 C SER A 182 36.046 -27.044 15.948 1.00 62.94 C ATOM 1625 O SER A 182 35.810 -27.232 17.138 1.00 78.71 O ATOM 1626 CB SER A 182 33.938 -28.229 15.302 1.00 57.69 C ATOM 1627 OG SER A 182 34.649 -29.386 15.684 1.00 60.48 O ATOM 1628 HG SER A 182 35.205 -29.695 14.926 1.00 0.00 H ATOM 1629 H SER A 182 35.378 -28.321 13.149 1.00 0.00 H ATOM 1630 N GLN A 183 37.263 -26.752 15.499 1.00 73.83 N ATOM 1631 CA GLN A 183 38.410 -26.686 16.408 1.00 75.92 C ATOM 1632 C GLN A 183 39.361 -25.513 16.138 1.00 79.49 C ATOM 1633 O GLN A 183 39.630 -25.154 14.987 1.00 65.65 O ATOM 1634 CB GLN A 183 39.173 -28.009 16.376 1.00 68.95 C ATOM 1635 CG GLN A 183 38.296 -29.223 16.647 1.00 65.32 C ATOM 1636 CD GLN A 183 38.997 -30.528 16.330 1.00 69.04 C ATOM 1637 OE1 GLN A 183 40.195 -30.549 16.061 1.00 77.10 O ATOM 1638 NE2 GLN A 183 38.251 -31.627 16.354 1.00 80.74 N ATOM 1639 HE22 GLN A 183 37.239 -31.564 16.587 1.00 0.00 H ATOM 1640 HE21 GLN A 183 38.679 -32.551 16.140 1.00 0.00 H ATOM 1641 H GLN A 183 37.403 -26.567 14.485 1.00 0.00 H TER 1642 GLN A 183 HETATM 1643 O HOH 1 36.932 -38.010 -5.519 1.00 31.17 O HETATM 1644 O HOH 2 38.997 -43.883 -4.058 1.00 29.43 O HETATM 1645 O HOH 3 24.484 -42.716 -8.230 1.00 30.43 O HETATM 1646 O HOH 4 38.180 -38.296 -8.992 1.00 33.48 O HETATM 1647 O HOH 5 42.346 -35.364 -3.524 1.00 29.86 O HETATM 1648 O HOH 6 39.948 -35.807 -7.264 1.00 31.57 O HETATM 1649 O HOH 7 40.957 -43.780 -6.789 1.00 29.04 O HETATM 1650 O HOH 8 37.388 -43.737 -1.745 1.00 27.21 O HETATM 1651 O HOH 9 40.427 -34.227 -9.438 1.00 24.76 O HETATM 1652 O HOH 10 38.349 -54.607 -3.203 1.00 40.34 O HETATM 1653 O HOH 11 42.555 -41.873 -5.213 1.00 30.63 O HETATM 1654 O HOH 12 36.178 -51.024 -11.104 1.00 35.03 O HETATM 1655 O HOH 13 47.828 -29.596 2.140 1.00 26.55 O HETATM 1656 O HOH 14 42.006 -36.926 -5.779 1.00 27.22 O HETATM 1657 O HOH 15 36.101 -47.830 -18.480 1.00 32.31 O HETATM 1658 O HOH 16 55.856 -40.013 -9.148 1.00 30.66 O HETATM 1659 O HOH 17 47.090 -26.603 5.814 1.00 28.26 O HETATM 1660 O HOH 18 44.309 -36.942 -2.876 1.00 30.44 O HETATM 1661 O HOH 19 31.043 -52.967 -4.264 1.00 35.78 O HETATM 1662 O HOH 20 38.484 -20.733 -5.048 1.00 39.42 O HETATM 1663 O HOH 21 41.206 -44.584 -16.212 1.00 36.64 O HETATM 1664 O HOH 22 40.202 -39.048 -19.726 1.00 51.73 O HETATM 1665 O HOH 23 36.940 -41.126 -21.088 1.00 39.87 O HETATM 1666 O HOH 24 35.482 -20.352 2.980 1.00 39.36 O HETATM 1667 O HOH 25 38.363 -36.076 -4.370 1.00 47.00 O HETATM 1668 O HOH 26 28.370 -36.180 -1.269 1.00 37.57 O HETATM 1669 O HOH 27 29.299 -33.576 6.566 1.00 45.59 O HETATM 1670 O HOH 28 39.760 -20.121 4.293 1.00 40.99 O HETATM 1671 O HOH 29 41.492 -21.986 7.741 1.00 51.44 O HETATM 1672 O HOH 30 44.339 -35.355 2.392 1.00 33.68 O HETATM 1673 O HOH 31 50.000 -48.241 -2.412 1.00 52.40 O HETATM 1674 O HOH 32 56.938 -38.020 -7.752 1.00 38.33 O HETATM 1675 O HOH 33 31.556 -41.676 -30.666 1.00 44.40 O HETATM 1676 O HOH 34 25.789 -30.250 -0.329 1.00 42.62 O HETATM 1677 O HOH 35 41.750 -37.464 7.949 1.00 54.47 O HETATM 1678 O HOH 36 31.342 -41.369 2.895 1.00 34.07 O HETATM 1679 O HOH 37 46.826 -19.561 -11.167 1.00 52.67 O HETATM 1680 O HOH 38 43.238 -44.616 -18.633 1.00 45.11 O HETATM 1681 O HOH 39 40.323 -44.200 3.852 1.00 44.64 O HETATM 1682 O HOH 40 31.641 -33.862 -29.750 1.00 43.85 O HETATM 1683 O HOH 41 47.579 -51.013 -15.198 1.00 48.37 O HETATM 1684 O HOH 42 38.149 -23.108 -8.127 1.00 43.56 O HETATM 1685 O HOH 43 31.251 -49.420 -24.351 1.00 56.59 O HETATM 1686 O HOH 44 48.584 -26.948 -12.412 1.00 49.78 O HETATM 1687 O HOH 45 49.402 -24.572 -12.042 1.00 59.48 O HETATM 1688 O HOH 46 37.516 -21.723 -10.102 1.00 70.85 O HETATM 1689 O HOH 47 40.993 -45.754 5.827 1.00 63.28 O HETATM 1690 O HOH 48 34.979 -19.308 -6.915 1.00 53.03 O HETATM 1691 O HOH 49 27.433 -33.019 4.603 1.00 48.91 O HETATM 1692 O HOH 50 24.406 -26.371 -5.613 1.00 51.73 O HETATM 1693 O HOH 51 53.572 -29.104 -8.711 1.00 57.45 O HETATM 1694 O HOH 52 44.444 -18.014 -3.203 1.00 53.07 O HETATM 1695 O HOH 53 21.451 -49.602 -17.908 1.00 42.21 O HETATM 1696 O HOH 54 30.210 -52.210 -6.338 1.00 29.38 O HETATM 1697 O HOH 55 50.200 -32.897 -3.523 1.00 41.54 O HETATM 1698 O HOH 56 25.611 -33.418 -6.735 1.00 46.45 O HETATM 1699 O HOH 57 39.665 -57.623 -9.408 1.00 59.23 O HETATM 1700 O HOH 58 27.812 -34.938 -3.623 1.00 47.29 O HETATM 1701 O HOH 59 25.697 -35.263 -4.875 1.00 58.90 O HETATM 1702 O HOH 60 24.756 -30.869 -2.555 1.00 61.68 O HETATM 1703 O HOH 61 44.688 -38.131 9.978 1.00 65.04 O HETATM 1704 O HOH 62 20.368 -39.156 -15.360 1.00 64.39 O HETATM 1705 O HOH 63 40.169 -53.913 3.217 1.00 60.66 O HETATM 1706 O HOH 64 36.396 -44.971 -29.146 1.00 64.64 O HETATM 1707 O HOH 65 42.296 -33.736 -15.117 1.00 52.48 O HETATM 1708 O HOH 66 42.647 -53.019 -21.177 1.00 69.70 O HETATM 1709 O HOH 67 23.742 -36.930 -8.280 1.00 75.85 O HETATM 1710 O HOH 68 50.733 -41.683 -21.040 1.00 44.35 O HETATM 1711 O HOH 69 50.973 -34.633 -16.332 1.00 54.19 O HETATM 1712 O HOH 70 38.406 -41.184 7.062 1.00 56.37 O HETATM 1713 C1 A A 8 38.356 -40.927 -6.773 1.00 0.08 C HETATM 1714 C2 A A 8 37.383 -41.428 -7.786 1.00 0.02 C HETATM 1715 C3 A A 8 37.114 -42.733 -8.066 1.00 0.02 C HETATM 1716 C4 A A 8 37.740 -43.887 -7.405 1.00 -0.02 C HETATM 1717 C5 A A 8 37.586 -45.154 -7.887 1.00 -0.09 C HETATM 1718 C7 A A 8 38.268 -46.341 -7.247 1.00 0.03 C HETATM 1719 O7 A A 8 39.277 -45.847 -6.368 1.00 -0.47 O HETATM 1720 H A A 8 39.905 -45.335 -6.864 1.00 0.18 H HETATM 1721 C8 A A 8 37.250 -47.104 -6.410 1.00 -0.07 C HETATM 1722 C9 A A 8 36.597 -48.161 -6.932 1.00 0.01 C HETATM 1723 C10 A A 8 36.834 -48.624 -8.318 1.00 0.15 C HETATM 1724 O10 A A 8 36.163 -49.545 -8.796 1.00 -0.37 O HETATM 1725 C11 A A 8 37.896 -47.943 -9.176 1.00 0.02 C HETATM 1726 C12 A A 8 38.945 -47.251 -8.295 1.00 -0.04 C HETATM 1727 C14 A A 8 39.828 -48.300 -7.639 1.00 -0.07 C HETATM 1728 H A A 8 40.580 -47.804 -7.008 1.00 0.02 H HETATM 1729 H A A 8 40.334 -48.891 -8.416 1.00 0.02 H HETATM 1730 H A A 8 39.209 -48.964 -7.018 1.00 0.02 H HETATM 1731 C15 A A 8 39.792 -46.394 -9.248 1.00 -0.07 C HETATM 1732 H A A 8 39.154 -45.635 -9.723 1.00 0.02 H HETATM 1733 H A A 8 40.236 -47.037 -10.023 1.00 0.02 H HETATM 1734 H A A 8 40.593 -45.897 -8.681 1.00 0.02 H HETATM 1735 H A A 8 37.413 -47.193 -9.819 1.00 0.05 H HETATM 1736 H A A 8 38.393 -48.698 -9.803 1.00 0.05 H HETATM 1737 H A A 8 35.873 -48.691 -6.315 1.00 0.10 H HETATM 1738 C13 A A 8 36.988 -46.639 -4.998 1.00 -0.04 C HETATM 1739 H A A 8 36.233 -47.290 -4.532 1.00 0.04 H HETATM 1740 H A A 8 36.618 -45.603 -5.016 1.00 0.04 H HETATM 1741 H A A 8 37.921 -46.685 -4.418 1.00 0.04 H HETATM 1742 H A A 8 36.953 -45.315 -8.758 1.00 0.05 H HETATM 1743 H A A 8 38.340 -43.727 -6.511 1.00 0.11 H HETATM 1744 C6 A A 8 36.121 -42.967 -9.180 1.00 -0.01 C HETATM 1745 H A A 8 35.757 -41.999 -9.556 1.00 0.04 H HETATM 1746 H A A 8 35.273 -43.555 -8.798 1.00 0.04 H HETATM 1747 H A A 8 36.610 -43.517 -9.998 1.00 0.04 H HETATM 1748 H A A 8 36.836 -40.679 -8.356 1.00 0.10 H HETATM 1749 O11 A A 8 38.872 -41.710 -5.971 1.00 -0.55 O HETATM 1750 O12 A A 8 38.671 -39.716 -6.785 1.00 -0.55 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1713 1714 1749 1750 CONECT 1714 1713 1715 1748 CONECT 1715 1714 1716 1744 CONECT 1716 1715 1717 1743 CONECT 1717 1716 1718 1742 CONECT 1718 1717 1719 1721 1726 CONECT 1719 1718 1720 CONECT 1720 1719 CONECT 1721 1718 1722 1738 CONECT 1722 1721 1723 1737 CONECT 1723 1722 1724 1725 CONECT 1724 1723 CONECT 1725 1723 1726 1735 1736 CONECT 1726 1718 1725 1727 1731 CONECT 1727 1726 1728 1729 1730 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1726 1732 1733 1734 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1731 CONECT 1735 1725 CONECT 1736 1725 CONECT 1737 1722 CONECT 1738 1721 1739 1740 1741 CONECT 1739 1738 CONECT 1740 1738 CONECT 1741 1738 CONECT 1742 1717 CONECT 1743 1716 CONECT 1744 1715 1745 1746 1747 CONECT 1745 1744 CONECT 1746 1744 CONECT 1747 1744 CONECT 1748 1714 CONECT 1749 1713 CONECT 1750 1713 MASTER 0 0 0 0 0 0 0 0 1749 1 42 14 END
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Structure:
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Related entries of code: 3w9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3jrs
RCSB PDB
PDBbind
A8S
3kb3
RCSB PDB
PDBbind
A8S
5mob
RCSB PDB
PDBbind
A8S
5ujv
RCSB PDB
PDBbind
A8S
Entry Information
PDB ID
3w9r
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
abscisic acid receptor PYL9/RCAR9
Ligand Name
A8S
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.66uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Genes Cells, Vol. 19, pp: 386-404
Ligand Properties
Formula
C
1
5
H
2
0
O
4
Molecular Weight
264.317
Exact Mass
264.136
No. of atoms
39
No. of bonds
39
Polar Surface Area
74.6
LOGP Value
2.91 (
Computed with XLOGP3
)
2.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C
InChI String
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q84MC7
Entrez Gene ID
NCBI Entrez Gene ID:
838452
ASD
Information of known allosteric effects of PDB entries
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