Browse entries in the PDBbind-CN Database
HEADER 1RZX_COMPLEX COMPND 1RZX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 98 GLU THR HIS ARG ARG VAL ARG LEU LEU LYS HIS GLY SER SEQRES 2 A 98 ASP LYS PRO LEU GLY PHE TYR ILE ARG ASP GLY THR SER SEQRES 3 A 98 VAL ARG VAL THR ALA SER GLY LEU GLU LYS GLN PRO GLY SEQRES 4 A 98 ILE PHE ILE SER ARG LEU VAL PRO GLY GLY LEU ALA GLU SEQRES 5 A 98 SER THR GLY LEU LEU ALA VAL ASN ASP GLU VAL ILE GLU SEQRES 6 A 98 VAL ASN GLY ILE GLU VAL ALA GLY LYS THR LEU ASP GLN SEQRES 7 A 98 VAL THR ASP MET MET VAL ALA ASN SER SER ASN LEU ILE SEQRES 8 A 98 ILE THR VAL LYS PRO ALA ASN HET ACE A 144 106 ATOM 1 N GLU A 156 36.078 42.123 -7.196 1.00 72.88 N ATOM 2 CA GLU A 156 34.939 41.166 -7.287 1.00 72.18 C ATOM 3 C GLU A 156 33.798 41.632 -6.385 1.00 71.01 C ATOM 4 O GLU A 156 34.034 42.157 -5.296 1.00 71.00 O ATOM 5 CB GLU A 156 35.393 39.765 -6.864 1.00 73.48 C ATOM 6 CG GLU A 156 34.357 38.680 -7.099 1.00 74.89 C ATOM 7 CD GLU A 156 34.070 38.463 -8.572 1.00 76.16 C ATOM 8 OE1 GLU A 156 34.983 38.011 -9.296 1.00 75.73 O ATOM 9 OE2 GLU A 156 32.933 38.749 -9.006 1.00 76.81 O ATOM 10 HA GLU A 156 34.590 41.129 -8.319 1.00 0.00 H ATOM 11 HB2 GLU A 156 36.290 39.510 -7.429 1.00 0.00 H ATOM 12 HB3 GLU A 156 35.630 39.788 -5.800 1.00 0.00 H ATOM 13 HG2 GLU A 156 34.725 37.747 -6.673 1.00 0.00 H ATOM 14 HG3 GLU A 156 33.431 38.966 -6.600 1.00 0.00 H ATOM 15 HN3 GLU A 156 36.413 42.169 -6.213 1.00 0.00 H ATOM 16 HN2 GLU A 156 35.762 43.066 -7.500 1.00 0.00 H ATOM 17 HN1 GLU A 156 36.851 41.800 -7.812 1.00 0.00 H ATOM 18 N THR A 157 32.565 41.440 -6.844 1.00 69.00 N ATOM 19 CA THR A 157 31.392 41.843 -6.074 1.00 66.92 C ATOM 20 C THR A 157 31.036 40.821 -4.997 1.00 64.40 C ATOM 21 O THR A 157 30.189 41.079 -4.144 1.00 63.88 O ATOM 22 CB THR A 157 30.160 42.026 -6.984 1.00 67.93 C ATOM 23 OG1 THR A 157 29.898 40.804 -7.687 1.00 68.02 O ATOM 24 CG2 THR A 157 30.396 43.149 -7.989 1.00 67.38 C ATOM 25 HA THR A 157 31.654 42.790 -5.602 1.00 0.00 H ATOM 26 HB THR A 157 29.303 42.287 -6.362 1.00 0.00 H ATOM 27 HG1 THR A 157 29.107 40.923 -8.270 1.00 0.00 H ATOM 28 HG23 THR A 157 30.595 44.078 -7.454 1.00 0.00 H ATOM 29 HG21 THR A 157 31.251 42.899 -8.617 1.00 0.00 H ATOM 30 HG22 THR A 157 29.510 43.270 -8.612 1.00 0.00 H ATOM 31 H THR A 157 32.433 40.992 -7.773 1.00 0.00 H ATOM 32 N HIS A 158 31.685 39.662 -5.040 1.00 61.23 N ATOM 33 CA HIS A 158 31.421 38.604 -4.072 1.00 58.15 C ATOM 34 C HIS A 158 31.890 38.941 -2.662 1.00 57.11 C ATOM 35 O HIS A 158 32.862 39.672 -2.470 1.00 56.96 O ATOM 36 CB HIS A 158 32.071 37.296 -4.529 1.00 55.76 C ATOM 37 CG HIS A 158 31.468 36.717 -5.764 1.00 53.87 C ATOM 38 ND1 HIS A 158 31.927 35.557 -6.349 1.00 53.42 N ATOM 39 CD2 HIS A 158 30.427 37.133 -6.535 1.00 52.70 C ATOM 40 CE1 HIS A 158 31.204 35.281 -7.417 1.00 53.37 C ATOM 41 NE2 HIS A 158 30.285 36.227 -7.549 1.00 53.23 N ATOM 42 HA HIS A 158 30.337 38.495 -4.028 1.00 0.00 H ATOM 43 HB2 HIS A 158 33.127 37.486 -4.720 1.00 0.00 H ATOM 44 HB3 HIS A 158 31.974 36.566 -3.725 1.00 0.00 H ATOM 45 HD2 HIS A 158 29.819 38.023 -6.374 1.00 0.00 H ATOM 46 HE1 HIS A 158 31.339 34.424 -8.077 1.00 0.00 H ATOM 47 H HIS A 158 32.398 39.506 -5.781 1.00 0.00 H ATOM 48 N ARG A 159 31.184 38.394 -1.679 1.00 55.38 N ATOM 49 CA ARG A 159 31.495 38.610 -0.270 1.00 53.43 C ATOM 50 C ARG A 159 31.469 37.268 0.456 1.00 51.32 C ATOM 51 O ARG A 159 30.499 36.519 0.352 1.00 50.66 O ATOM 52 CB ARG A 159 30.455 39.540 0.355 1.00 54.85 C ATOM 53 CG ARG A 159 30.655 39.806 1.838 1.00 58.33 C ATOM 54 CD ARG A 159 29.380 40.346 2.472 1.00 60.85 C ATOM 55 NE ARG A 159 28.903 41.559 1.810 1.00 63.64 N ATOM 56 CZ ARG A 159 27.758 42.167 2.105 1.00 64.64 C ATOM 57 NH1 ARG A 159 26.970 41.672 3.049 1.00 65.23 N ATOM 58 NH2 ARG A 159 27.402 43.271 1.459 1.00 65.67 N ATOM 59 HA ARG A 159 32.482 39.064 -0.182 1.00 0.00 H ATOM 60 HB2 ARG A 159 30.493 40.494 -0.170 1.00 0.00 H ATOM 61 HB3 ARG A 159 29.471 39.091 0.219 1.00 0.00 H ATOM 62 HG2 ARG A 159 30.933 38.876 2.333 1.00 0.00 H ATOM 63 HG3 ARG A 159 31.454 40.537 1.965 1.00 0.00 H ATOM 64 HD2 ARG A 159 29.578 40.572 3.520 1.00 0.00 H ATOM 65 HD3 ARG A 159 28.605 39.582 2.407 1.00 0.00 H ATOM 66 HE ARG A 159 29.496 41.972 1.062 1.00 0.00 H ATOM 67 HH12 ARG A 159 26.074 42.147 3.280 1.00 0.00 H ATOM 68 HH11 ARG A 159 27.248 40.809 3.558 1.00 0.00 H ATOM 69 HH22 ARG A 159 26.506 43.744 1.692 1.00 0.00 H ATOM 70 HH21 ARG A 159 28.020 43.663 0.720 1.00 0.00 H ATOM 71 H ARG A 159 30.376 37.787 -1.924 1.00 0.00 H ATOM 72 N ARG A 160 32.530 36.959 1.188 1.00 48.43 N ATOM 73 CA ARG A 160 32.578 35.699 1.914 1.00 47.09 C ATOM 74 C ARG A 160 32.160 35.876 3.366 1.00 44.90 C ATOM 75 O ARG A 160 32.725 36.695 4.087 1.00 45.24 O ATOM 76 CB ARG A 160 33.980 35.105 1.834 1.00 48.53 C ATOM 77 CG ARG A 160 34.417 34.901 0.407 1.00 50.39 C ATOM 78 CD ARG A 160 35.456 33.817 0.276 1.00 53.49 C ATOM 79 NE ARG A 160 35.374 33.217 -1.051 1.00 55.37 N ATOM 80 CZ ARG A 160 36.197 32.277 -1.497 1.00 55.99 C ATOM 81 NH1 ARG A 160 37.172 31.828 -0.719 1.00 57.31 N ATOM 82 NH2 ARG A 160 36.041 31.779 -2.717 1.00 55.81 N ATOM 83 HA ARG A 160 31.870 35.013 1.448 1.00 0.00 H ATOM 84 HB2 ARG A 160 34.679 35.782 2.325 1.00 0.00 H ATOM 85 HB3 ARG A 160 33.986 34.143 2.347 1.00 0.00 H ATOM 86 HG2 ARG A 160 33.547 34.627 -0.190 1.00 0.00 H ATOM 87 HG3 ARG A 160 34.835 35.835 0.031 1.00 0.00 H ATOM 88 HD2 ARG A 160 35.279 33.052 1.032 1.00 0.00 H ATOM 89 HD3 ARG A 160 36.448 34.246 0.420 1.00 0.00 H ATOM 90 HE ARG A 160 34.622 33.547 -1.689 1.00 0.00 H ATOM 91 HH12 ARG A 160 37.818 31.091 -1.068 1.00 0.00 H ATOM 92 HH11 ARG A 160 37.291 32.213 0.240 1.00 0.00 H ATOM 93 HH22 ARG A 160 36.687 31.042 -3.064 1.00 0.00 H ATOM 94 HH21 ARG A 160 35.272 32.126 -3.326 1.00 0.00 H ATOM 95 H ARG A 160 33.331 37.620 1.244 1.00 0.00 H ATOM 96 N VAL A 161 31.157 35.111 3.781 1.00 42.07 N ATOM 97 CA VAL A 161 30.654 35.187 5.144 1.00 40.19 C ATOM 98 C VAL A 161 30.909 33.899 5.916 1.00 41.11 C ATOM 99 O VAL A 161 30.637 32.802 5.433 1.00 39.64 O ATOM 100 CB VAL A 161 29.142 35.468 5.166 1.00 39.15 C ATOM 101 CG1 VAL A 161 28.652 35.544 6.601 1.00 35.27 C ATOM 102 CG2 VAL A 161 28.844 36.766 4.432 1.00 37.75 C ATOM 103 HA VAL A 161 31.192 36.006 5.620 1.00 0.00 H ATOM 104 HB VAL A 161 28.619 34.656 4.661 1.00 0.00 H ATOM 105 HG11 VAL A 161 28.850 34.596 7.102 1.00 0.00 H ATOM 106 HG12 VAL A 161 29.175 36.347 7.120 1.00 0.00 H ATOM 107 HG13 VAL A 161 27.580 35.743 6.608 1.00 0.00 H ATOM 108 HG21 VAL A 161 29.369 37.587 4.920 1.00 0.00 H ATOM 109 HG22 VAL A 161 29.179 36.682 3.398 1.00 0.00 H ATOM 110 HG23 VAL A 161 27.771 36.956 4.453 1.00 0.00 H ATOM 111 H VAL A 161 30.721 34.441 3.116 1.00 0.00 H ATOM 112 N ARG A 162 31.436 34.041 7.124 1.00 42.16 N ATOM 113 CA ARG A 162 31.706 32.896 7.977 1.00 45.92 C ATOM 114 C ARG A 162 30.730 32.881 9.146 1.00 47.15 C ATOM 115 O ARG A 162 30.620 33.854 9.889 1.00 46.33 O ATOM 116 CB ARG A 162 33.149 32.945 8.494 1.00 48.03 C ATOM 117 CG ARG A 162 33.503 31.827 9.471 1.00 51.69 C ATOM 118 CD ARG A 162 34.855 31.214 9.133 1.00 55.77 C ATOM 119 NE ARG A 162 35.898 32.227 9.022 1.00 58.66 N ATOM 120 CZ ARG A 162 37.029 32.056 8.341 1.00 60.37 C ATOM 121 NH1 ARG A 162 37.261 30.908 7.708 1.00 59.78 N ATOM 122 NH2 ARG A 162 37.927 33.032 8.287 1.00 60.30 N ATOM 123 HA ARG A 162 31.577 31.984 7.394 1.00 0.00 H ATOM 124 HB2 ARG A 162 33.821 32.877 7.639 1.00 0.00 H ATOM 125 HB3 ARG A 162 33.299 33.900 8.998 1.00 0.00 H ATOM 126 HG2 ARG A 162 33.539 32.234 10.481 1.00 0.00 H ATOM 127 HG3 ARG A 162 32.737 31.053 9.420 1.00 0.00 H ATOM 128 HD2 ARG A 162 34.775 30.685 8.184 1.00 0.00 H ATOM 129 HD3 ARG A 162 35.129 30.510 9.918 1.00 0.00 H ATOM 130 HE ARG A 162 35.750 33.137 9.503 1.00 0.00 H ATOM 131 HH12 ARG A 162 38.145 30.777 7.177 1.00 0.00 H ATOM 132 HH11 ARG A 162 36.558 30.143 7.745 1.00 0.00 H ATOM 133 HH22 ARG A 162 38.810 32.897 7.755 1.00 0.00 H ATOM 134 HH21 ARG A 162 37.747 33.932 8.777 1.00 0.00 H ATOM 135 H ARG A 162 31.662 34.995 7.470 1.00 0.00 H ATOM 136 N LEU A 163 30.015 31.773 9.297 1.00 48.72 N ATOM 137 CA LEU A 163 29.054 31.637 10.380 1.00 52.02 C ATOM 138 C LEU A 163 29.614 30.698 11.440 1.00 54.78 C ATOM 139 O LEU A 163 29.688 29.481 11.235 1.00 54.72 O ATOM 140 CB LEU A 163 27.734 31.090 9.847 1.00 50.87 C ATOM 141 CG LEU A 163 27.064 31.924 8.753 1.00 52.66 C ATOM 142 CD1 LEU A 163 25.770 31.250 8.331 1.00 51.82 C ATOM 143 CD2 LEU A 163 26.790 33.332 9.264 1.00 50.96 C ATOM 144 HA LEU A 163 28.873 32.617 10.822 1.00 0.00 H ATOM 145 HB2 LEU A 163 27.922 30.095 9.443 1.00 0.00 H ATOM 146 HB3 LEU A 163 27.040 31.015 10.684 1.00 0.00 H ATOM 147 HG LEU A 163 27.727 31.996 7.891 1.00 0.00 H ATOM 148 HD21 LEU A 163 26.131 33.281 10.131 1.00 0.00 H ATOM 149 HD22 LEU A 163 27.731 33.803 9.549 1.00 0.00 H ATOM 150 HD23 LEU A 163 26.313 33.916 8.477 1.00 0.00 H ATOM 151 HD11 LEU A 163 25.989 30.253 7.949 1.00 0.00 H ATOM 152 HD12 LEU A 163 25.105 31.173 9.191 1.00 0.00 H ATOM 153 HD13 LEU A 163 25.291 31.842 7.552 1.00 0.00 H ATOM 154 H LEU A 163 30.144 30.987 8.628 1.00 0.00 H ATOM 155 N LEU A 164 30.017 31.273 12.567 1.00 57.13 N ATOM 156 CA LEU A 164 30.579 30.496 13.661 1.00 61.20 C ATOM 157 C LEU A 164 29.449 30.025 14.575 1.00 62.75 C ATOM 158 O LEU A 164 29.043 30.745 15.488 1.00 62.48 O ATOM 159 CB LEU A 164 31.564 31.359 14.452 1.00 62.81 C ATOM 160 CG LEU A 164 32.548 30.642 15.375 1.00 65.09 C ATOM 161 CD1 LEU A 164 33.517 29.811 14.543 1.00 65.06 C ATOM 162 CD2 LEU A 164 33.311 31.670 16.201 1.00 65.00 C ATOM 163 HA LEU A 164 31.108 29.630 13.263 1.00 0.00 H ATOM 164 HB2 LEU A 164 32.149 31.930 13.732 1.00 0.00 H ATOM 165 HB3 LEU A 164 30.979 32.043 15.067 1.00 0.00 H ATOM 166 HG LEU A 164 32.003 29.980 16.048 1.00 0.00 H ATOM 167 HD21 LEU A 164 33.857 32.337 15.534 1.00 0.00 H ATOM 168 HD22 LEU A 164 32.607 32.249 16.799 1.00 0.00 H ATOM 169 HD23 LEU A 164 34.013 31.157 16.859 1.00 0.00 H ATOM 170 HD11 LEU A 164 32.959 29.074 13.966 1.00 0.00 H ATOM 171 HD12 LEU A 164 34.066 30.465 13.866 1.00 0.00 H ATOM 172 HD13 LEU A 164 34.217 29.301 15.205 1.00 0.00 H ATOM 173 H LEU A 164 29.929 32.304 12.670 1.00 0.00 H ATOM 174 N LYS A 165 28.944 28.819 14.332 1.00 64.75 N ATOM 175 CA LYS A 165 27.857 28.280 15.142 1.00 67.79 C ATOM 176 C LYS A 165 28.361 27.502 16.353 1.00 69.05 C ATOM 177 O LYS A 165 29.451 26.932 16.330 1.00 69.59 O ATOM 178 CB LYS A 165 26.956 27.376 14.294 1.00 68.57 C ATOM 179 CG LYS A 165 25.635 27.036 14.972 1.00 69.21 C ATOM 180 CD LYS A 165 24.709 26.231 14.073 1.00 70.17 C ATOM 181 CE LYS A 165 25.185 24.798 13.903 1.00 69.39 C ATOM 182 NZ LYS A 165 24.174 23.977 13.180 1.00 68.52 N ATOM 183 HA LYS A 165 27.287 29.134 15.509 1.00 0.00 H ATOM 184 HB2 LYS A 165 26.742 27.884 13.354 1.00 0.00 H ATOM 185 HB3 LYS A 165 27.490 26.448 14.090 1.00 0.00 H ATOM 186 HG2 LYS A 165 25.842 26.455 15.871 1.00 0.00 H ATOM 187 HG3 LYS A 165 25.135 27.964 15.248 1.00 0.00 H ATOM 188 HD2 LYS A 165 23.712 26.221 14.513 1.00 0.00 H ATOM 189 HD3 LYS A 165 24.668 26.707 13.093 1.00 0.00 H ATOM 190 HE2 LYS A 165 25.360 24.362 14.887 1.00 0.00 H ATOM 191 HE3 LYS A 165 26.116 24.797 13.336 1.00 0.00 H ATOM 192 HZ1 LYS A 165 23.285 23.970 13.719 1.00 0.00 H ATOM 193 HZ2 LYS A 165 24.007 24.386 12.238 1.00 0.00 H ATOM 194 HZ3 LYS A 165 24.527 23.004 13.079 1.00 0.00 H ATOM 195 H LYS A 165 29.330 28.251 13.551 1.00 0.00 H ATOM 196 N HIS A 166 27.555 27.483 17.411 1.00 70.90 N ATOM 197 CA HIS A 166 27.908 26.773 18.637 1.00 72.51 C ATOM 198 C HIS A 166 26.897 25.670 18.935 1.00 72.12 C ATOM 199 O HIS A 166 27.275 24.534 19.228 1.00 72.53 O ATOM 200 CB HIS A 166 27.975 27.750 19.815 1.00 74.39 C ATOM 201 CG HIS A 166 29.056 28.780 19.687 1.00 76.47 C ATOM 202 ND1 HIS A 166 30.397 28.446 19.644 1.00 77.53 N ATOM 203 CD2 HIS A 166 28.999 30.124 19.582 1.00 77.45 C ATOM 204 CE1 HIS A 166 31.113 29.549 19.518 1.00 77.95 C ATOM 205 NE2 HIS A 166 30.296 30.581 19.477 1.00 78.44 N ATOM 206 HA HIS A 166 28.888 26.317 18.495 1.00 0.00 H ATOM 207 HB2 HIS A 166 27.017 28.265 19.890 1.00 0.00 H ATOM 208 HB3 HIS A 166 28.151 27.178 20.726 1.00 0.00 H ATOM 209 HD2 HIS A 166 28.096 30.735 19.580 1.00 0.00 H ATOM 210 HE1 HIS A 166 32.200 29.597 19.458 1.00 0.00 H ATOM 211 H HIS A 166 26.647 27.988 17.364 1.00 0.00 H ATOM 212 N GLY A 167 25.612 26.011 18.855 1.00 70.78 N ATOM 213 CA GLY A 167 24.569 25.034 19.116 1.00 68.88 C ATOM 214 C GLY A 167 24.440 24.021 17.994 1.00 67.16 C ATOM 215 O GLY A 167 24.177 24.382 16.845 1.00 67.27 O ATOM 216 HA3 GLY A 167 23.619 25.556 19.229 1.00 0.00 H ATOM 217 HA2 GLY A 167 24.805 24.507 20.040 1.00 0.00 H ATOM 218 H GLY A 167 25.353 26.986 18.603 1.00 0.00 H ATOM 219 N SER A 168 24.627 22.748 18.327 1.00 65.07 N ATOM 220 CA SER A 168 24.537 21.677 17.341 1.00 63.02 C ATOM 221 C SER A 168 23.130 21.525 16.763 1.00 60.57 C ATOM 222 O SER A 168 22.967 21.079 15.626 1.00 60.64 O ATOM 223 CB SER A 168 24.986 20.350 17.965 1.00 64.06 C ATOM 224 OG SER A 168 24.278 20.079 19.164 1.00 65.89 O ATOM 225 HA SER A 168 25.198 21.946 16.517 1.00 0.00 H ATOM 226 HB2 SER A 168 26.052 20.404 18.186 1.00 0.00 H ATOM 227 HB3 SER A 168 24.804 19.544 17.255 1.00 0.00 H ATOM 228 HG SER A 168 24.589 19.219 19.542 1.00 0.00 H ATOM 229 H SER A 168 24.843 22.509 19.316 1.00 0.00 H ATOM 230 N ASP A 169 22.118 21.902 17.541 1.00 56.14 N ATOM 231 CA ASP A 169 20.736 21.788 17.092 1.00 51.90 C ATOM 232 C ASP A 169 20.231 23.110 16.514 1.00 48.70 C ATOM 233 O ASP A 169 19.356 23.127 15.646 1.00 46.93 O ATOM 234 CB ASP A 169 19.841 21.351 18.249 1.00 52.11 C ATOM 235 CG ASP A 169 18.471 20.899 17.785 1.00 51.66 C ATOM 236 OD1 ASP A 169 18.415 20.040 16.881 1.00 52.78 O ATOM 237 OD2 ASP A 169 17.452 21.383 18.324 1.00 51.52 O ATOM 238 HA ASP A 169 20.700 21.036 16.304 1.00 0.00 H ATOM 239 HB2 ASP A 169 20.323 20.525 18.772 1.00 0.00 H ATOM 240 HB3 ASP A 169 19.719 22.191 18.933 1.00 0.00 H ATOM 241 H ASP A 169 22.317 22.285 18.487 1.00 0.00 H ATOM 242 N LYS A 170 20.780 24.215 17.005 1.00 44.86 N ATOM 243 CA LYS A 170 20.397 25.533 16.524 1.00 40.74 C ATOM 244 C LYS A 170 20.840 25.660 15.068 1.00 38.31 C ATOM 245 O LYS A 170 21.975 25.328 14.726 1.00 37.12 O ATOM 246 CB LYS A 170 21.067 26.613 17.373 1.00 40.86 C ATOM 247 CG LYS A 170 20.728 28.032 16.957 1.00 40.05 C ATOM 248 CD LYS A 170 21.345 29.039 17.908 1.00 41.76 C ATOM 249 CE LYS A 170 20.878 30.441 17.575 1.00 43.09 C ATOM 250 NZ LYS A 170 21.440 31.435 18.517 1.00 43.67 N ATOM 251 HA LYS A 170 19.317 25.660 16.597 1.00 0.00 H ATOM 252 HB2 LYS A 170 20.755 26.476 18.408 1.00 0.00 H ATOM 253 HB3 LYS A 170 22.147 26.484 17.300 1.00 0.00 H ATOM 254 HG2 LYS A 170 21.110 28.210 15.952 1.00 0.00 H ATOM 255 HG3 LYS A 170 19.645 28.156 16.960 1.00 0.00 H ATOM 256 HD2 LYS A 170 21.050 28.796 18.929 1.00 0.00 H ATOM 257 HD3 LYS A 170 22.431 28.993 17.824 1.00 0.00 H ATOM 258 HE2 LYS A 170 19.790 30.475 17.630 1.00 0.00 H ATOM 259 HE3 LYS A 170 21.197 30.691 16.563 1.00 0.00 H ATOM 260 HZ1 LYS A 170 21.134 31.206 19.484 1.00 0.00 H ATOM 261 HZ2 LYS A 170 22.478 31.411 18.465 1.00 0.00 H ATOM 262 HZ3 LYS A 170 21.101 32.384 18.261 1.00 0.00 H ATOM 263 H LYS A 170 21.501 24.136 17.751 1.00 0.00 H ATOM 264 N PRO A 171 19.943 26.139 14.192 1.00 35.08 N ATOM 265 CA PRO A 171 20.250 26.305 12.770 1.00 32.39 C ATOM 266 C PRO A 171 21.106 27.542 12.496 1.00 30.83 C ATOM 267 O PRO A 171 21.273 28.400 13.369 1.00 29.35 O ATOM 268 CB PRO A 171 18.869 26.412 12.144 1.00 32.78 C ATOM 269 CG PRO A 171 18.128 27.209 13.179 1.00 34.31 C ATOM 270 CD PRO A 171 18.551 26.535 14.476 1.00 34.32 C ATOM 271 HA PRO A 171 20.846 25.487 12.364 1.00 0.00 H ATOM 272 HD3 PRO A 171 18.502 27.229 15.315 1.00 0.00 H ATOM 273 HD2 PRO A 171 17.930 25.665 14.689 1.00 0.00 H ATOM 274 HG3 PRO A 171 17.050 27.141 13.032 1.00 0.00 H ATOM 275 HG2 PRO A 171 18.430 28.256 13.162 1.00 0.00 H ATOM 276 HB2 PRO A 171 18.905 26.936 11.189 1.00 0.00 H ATOM 277 HB3 PRO A 171 18.419 25.429 12.002 1.00 0.00 H ATOM 278 N LEU A 172 21.650 27.619 11.285 1.00 28.11 N ATOM 279 CA LEU A 172 22.476 28.749 10.870 1.00 27.80 C ATOM 280 C LEU A 172 21.645 30.029 10.944 1.00 27.01 C ATOM 281 O LEU A 172 22.185 31.123 11.108 1.00 25.28 O ATOM 282 CB LEU A 172 22.972 28.542 9.439 1.00 30.32 C ATOM 283 CG LEU A 172 23.797 27.278 9.156 1.00 32.51 C ATOM 284 CD1 LEU A 172 23.876 27.034 7.655 1.00 35.05 C ATOM 285 CD2 LEU A 172 25.190 27.421 9.746 1.00 32.23 C ATOM 286 HA LEU A 172 23.338 28.828 11.532 1.00 0.00 H ATOM 287 HB2 LEU A 172 22.097 28.515 8.790 1.00 0.00 H ATOM 288 HB3 LEU A 172 23.589 29.402 9.179 1.00 0.00 H ATOM 289 HG LEU A 172 23.309 26.422 9.623 1.00 0.00 H ATOM 290 HD21 LEU A 172 25.687 28.281 9.297 1.00 0.00 H ATOM 291 HD22 LEU A 172 25.114 27.565 10.824 1.00 0.00 H ATOM 292 HD23 LEU A 172 25.765 26.519 9.539 1.00 0.00 H ATOM 293 HD11 LEU A 172 22.870 26.904 7.256 1.00 0.00 H ATOM 294 HD12 LEU A 172 24.351 27.889 7.174 1.00 0.00 H ATOM 295 HD13 LEU A 172 24.463 26.136 7.465 1.00 0.00 H ATOM 296 H LEU A 172 21.481 26.847 10.609 1.00 0.00 H ATOM 297 N GLY A 173 20.330 29.887 10.798 1.00 25.55 N ATOM 298 CA GLY A 173 19.461 31.044 10.889 1.00 26.37 C ATOM 299 C GLY A 173 18.940 31.649 9.602 1.00 25.84 C ATOM 300 O GLY A 173 18.549 32.819 9.594 1.00 27.54 O ATOM 301 HA3 GLY A 173 20.014 31.824 11.413 1.00 0.00 H ATOM 302 HA2 GLY A 173 18.595 30.753 11.484 1.00 0.00 H ATOM 303 H GLY A 173 19.925 28.946 10.619 1.00 0.00 H ATOM 304 N PHE A 174 18.942 30.894 8.507 1.00 25.28 N ATOM 305 CA PHE A 174 18.420 31.446 7.263 1.00 23.67 C ATOM 306 C PHE A 174 17.771 30.403 6.366 1.00 24.29 C ATOM 307 O PHE A 174 17.959 29.196 6.551 1.00 27.00 O ATOM 308 CB PHE A 174 19.514 32.231 6.514 1.00 24.81 C ATOM 309 CG PHE A 174 20.674 31.392 6.049 1.00 26.31 C ATOM 310 CD1 PHE A 174 20.782 31.023 4.712 1.00 25.05 C ATOM 311 CD2 PHE A 174 21.693 31.037 6.927 1.00 26.47 C ATOM 312 CE1 PHE A 174 21.898 30.303 4.248 1.00 28.32 C ATOM 313 CE2 PHE A 174 22.812 30.318 6.481 1.00 26.93 C ATOM 314 CZ PHE A 174 22.919 29.957 5.134 1.00 25.10 C ATOM 315 HA PHE A 174 17.623 32.136 7.539 1.00 0.00 H ATOM 316 HB2 PHE A 174 19.060 32.700 5.641 1.00 0.00 H ATOM 317 HB3 PHE A 174 19.897 33.003 7.181 1.00 0.00 H ATOM 318 HD2 PHE A 174 21.621 31.322 7.977 1.00 0.00 H ATOM 319 HE2 PHE A 174 23.598 30.041 7.184 1.00 0.00 H ATOM 320 HZ PHE A 174 23.793 29.410 4.779 1.00 0.00 H ATOM 321 HE1 PHE A 174 21.965 30.016 3.199 1.00 0.00 H ATOM 322 HD1 PHE A 174 19.991 31.296 4.014 1.00 0.00 H ATOM 323 H PHE A 174 19.311 29.922 8.538 1.00 0.00 H ATOM 324 N TYR A 175 16.977 30.876 5.414 1.00 24.11 N ATOM 325 CA TYR A 175 16.270 30.010 4.483 1.00 24.55 C ATOM 326 C TYR A 175 16.790 30.285 3.078 1.00 23.27 C ATOM 327 O TYR A 175 17.167 31.417 2.770 1.00 22.89 O ATOM 328 CB TYR A 175 14.769 30.315 4.517 1.00 27.74 C ATOM 329 CG TYR A 175 14.069 30.058 5.837 1.00 29.82 C ATOM 330 CD1 TYR A 175 13.266 28.932 6.014 1.00 29.31 C ATOM 331 CD2 TYR A 175 14.152 30.978 6.882 1.00 32.58 C ATOM 332 CE1 TYR A 175 12.549 28.736 7.192 1.00 31.93 C ATOM 333 CE2 TYR A 175 13.438 30.788 8.076 1.00 31.91 C ATOM 334 CZ TYR A 175 12.639 29.666 8.219 1.00 32.49 C ATOM 335 OH TYR A 175 11.915 29.477 9.378 1.00 34.73 O ATOM 336 HA TYR A 175 16.433 28.969 4.761 1.00 0.00 H ATOM 337 HB3 TYR A 175 14.286 29.700 3.758 1.00 0.00 H ATOM 338 HB2 TYR A 175 14.637 31.368 4.268 1.00 0.00 H ATOM 339 HD2 TYR A 175 14.782 31.860 6.770 1.00 0.00 H ATOM 340 HE2 TYR A 175 13.512 31.517 8.883 1.00 0.00 H ATOM 341 HE1 TYR A 175 11.919 27.854 7.307 1.00 0.00 H ATOM 342 HD1 TYR A 175 13.198 28.192 5.216 1.00 0.00 H ATOM 343 HH TYR A 175 11.403 28.632 9.312 1.00 0.00 H ATOM 344 H TYR A 175 16.855 31.905 5.330 1.00 0.00 H ATOM 345 N ILE A 176 16.821 29.259 2.231 1.00 21.05 N ATOM 346 CA ILE A 176 17.259 29.452 0.858 1.00 21.27 C ATOM 347 C ILE A 176 16.161 29.013 -0.091 1.00 21.29 C ATOM 348 O ILE A 176 15.331 28.190 0.260 1.00 22.05 O ATOM 349 CB ILE A 176 18.554 28.655 0.545 1.00 21.25 C ATOM 350 CG1 ILE A 176 18.364 27.190 0.941 1.00 20.40 C ATOM 351 CG2 ILE A 176 19.744 29.283 1.263 1.00 20.30 C ATOM 352 CD1 ILE A 176 19.549 26.289 0.604 1.00 21.69 C ATOM 353 HA ILE A 176 17.476 30.512 0.726 1.00 0.00 H ATOM 354 HB ILE A 176 18.759 28.693 -0.525 1.00 0.00 H ATOM 355 HG12 ILE A 176 18.197 27.146 2.017 1.00 0.00 H ATOM 356 HG13 ILE A 176 17.485 26.807 0.422 1.00 0.00 H ATOM 357 HD11 ILE A 176 19.725 26.309 -0.472 1.00 0.00 H ATOM 358 HD12 ILE A 176 20.437 26.648 1.125 1.00 0.00 H ATOM 359 HD13 ILE A 176 19.329 25.269 0.919 1.00 0.00 H ATOM 360 HG21 ILE A 176 19.867 30.313 0.927 1.00 0.00 H ATOM 361 HG22 ILE A 176 19.566 29.269 2.338 1.00 0.00 H ATOM 362 HG23 ILE A 176 20.646 28.714 1.035 1.00 0.00 H ATOM 363 H ILE A 176 16.530 28.314 2.553 1.00 0.00 H ATOM 364 N ARG A 177 16.172 29.567 -1.296 1.00 23.78 N ATOM 365 CA ARG A 177 15.183 29.229 -2.310 1.00 24.63 C ATOM 366 C ARG A 177 15.856 29.203 -3.676 1.00 24.80 C ATOM 367 O ARG A 177 16.996 29.614 -3.815 1.00 23.08 O ATOM 368 CB ARG A 177 14.066 30.282 -2.343 1.00 26.68 C ATOM 369 CG ARG A 177 14.572 31.647 -2.828 1.00 26.70 C ATOM 370 CD ARG A 177 13.452 32.690 -2.923 1.00 29.53 C ATOM 371 NE ARG A 177 13.973 34.012 -3.278 1.00 28.27 N ATOM 372 CZ ARG A 177 14.423 34.348 -4.482 1.00 32.08 C ATOM 373 NH1 ARG A 177 14.419 33.463 -5.468 1.00 31.05 N ATOM 374 NH2 ARG A 177 14.877 35.574 -4.705 1.00 31.57 N ATOM 375 HA ARG A 177 14.757 28.255 -2.070 1.00 0.00 H ATOM 376 HB2 ARG A 177 13.280 29.939 -3.016 1.00 0.00 H ATOM 377 HB3 ARG A 177 13.659 30.395 -1.338 1.00 0.00 H ATOM 378 HG2 ARG A 177 15.328 32.008 -2.130 1.00 0.00 H ATOM 379 HG3 ARG A 177 15.019 31.524 -3.814 1.00 0.00 H ATOM 380 HD2 ARG A 177 12.947 32.756 -1.959 1.00 0.00 H ATOM 381 HD3 ARG A 177 12.739 32.375 -3.684 1.00 0.00 H ATOM 382 HE ARG A 177 13.992 34.739 -2.535 1.00 0.00 H ATOM 383 HH12 ARG A 177 14.772 33.731 -6.409 1.00 0.00 H ATOM 384 HH11 ARG A 177 14.063 32.500 -5.301 1.00 0.00 H ATOM 385 HH22 ARG A 177 15.229 35.835 -5.648 1.00 0.00 H ATOM 386 HH21 ARG A 177 14.881 36.275 -3.937 1.00 0.00 H ATOM 387 H ARG A 177 16.909 30.264 -1.524 1.00 0.00 H ATOM 388 N ASP A 178 15.119 28.731 -4.674 1.00 26.50 N ATOM 389 CA ASP A 178 15.595 28.688 -6.045 1.00 27.37 C ATOM 390 C ASP A 178 15.314 30.071 -6.604 1.00 28.47 C ATOM 391 O ASP A 178 14.356 30.728 -6.198 1.00 28.97 O ATOM 392 CB ASP A 178 14.816 27.642 -6.844 1.00 30.45 C ATOM 393 CG ASP A 178 15.386 26.246 -6.698 1.00 31.23 C ATOM 394 OD1 ASP A 178 14.617 25.278 -6.855 1.00 36.28 O ATOM 395 OD2 ASP A 178 16.606 26.110 -6.460 1.00 31.32 O ATOM 396 HA ASP A 178 16.651 28.423 -6.100 1.00 0.00 H ATOM 397 HB2 ASP A 178 13.783 27.635 -6.495 1.00 0.00 H ATOM 398 HB3 ASP A 178 14.840 27.920 -7.898 1.00 0.00 H ATOM 399 H ASP A 178 14.163 28.378 -4.466 1.00 0.00 H ATOM 400 N GLY A 179 16.147 30.512 -7.534 1.00 27.02 N ATOM 401 CA GLY A 179 15.953 31.816 -8.131 1.00 26.47 C ATOM 402 C GLY A 179 16.597 31.875 -9.501 1.00 28.89 C ATOM 403 O GLY A 179 16.940 30.849 -10.076 1.00 25.92 O ATOM 404 HA3 GLY A 179 16.403 32.574 -7.490 1.00 0.00 H ATOM 405 HA2 GLY A 179 14.885 32.011 -8.228 1.00 0.00 H ATOM 406 H GLY A 179 16.945 29.918 -7.837 1.00 0.00 H ATOM 407 N THR A 180 16.757 33.084 -10.023 1.00 32.79 N ATOM 408 CA THR A 180 17.368 33.286 -11.327 1.00 37.57 C ATOM 409 C THR A 180 18.383 34.409 -11.184 1.00 40.72 C ATOM 410 O THR A 180 18.174 35.333 -10.405 1.00 40.56 O ATOM 411 CB THR A 180 16.301 33.684 -12.382 1.00 38.28 C ATOM 412 OG1 THR A 180 15.263 32.694 -12.410 1.00 35.76 O ATOM 413 CG2 THR A 180 16.924 33.792 -13.759 1.00 38.16 C ATOM 414 HA THR A 180 17.842 32.364 -11.662 1.00 0.00 H ATOM 415 HB THR A 180 15.886 34.653 -12.107 1.00 0.00 H ATOM 416 HG1 THR A 180 14.583 32.949 -13.083 1.00 0.00 H ATOM 417 HG23 THR A 180 17.713 34.544 -13.741 1.00 0.00 H ATOM 418 HG21 THR A 180 17.345 32.827 -14.042 1.00 0.00 H ATOM 419 HG22 THR A 180 16.160 34.082 -14.480 1.00 0.00 H ATOM 420 H THR A 180 16.436 33.913 -9.483 1.00 0.00 H ATOM 421 N SER A 181 19.487 34.327 -11.916 1.00 47.23 N ATOM 422 CA SER A 181 20.504 35.372 -11.861 1.00 52.95 C ATOM 423 C SER A 181 20.926 35.743 -13.276 1.00 57.44 C ATOM 424 O SER A 181 21.252 34.871 -14.081 1.00 58.62 O ATOM 425 CB SER A 181 21.726 34.903 -11.065 1.00 53.54 C ATOM 426 OG SER A 181 22.359 33.797 -11.687 1.00 53.37 O ATOM 427 HA SER A 181 20.081 36.243 -11.360 1.00 0.00 H ATOM 428 HB2 SER A 181 21.407 34.612 -10.064 1.00 0.00 H ATOM 429 HB3 SER A 181 22.439 35.725 -10.993 1.00 0.00 H ATOM 430 HG SER A 181 22.657 34.056 -12.595 1.00 0.00 H ATOM 431 H SER A 181 19.629 33.506 -12.538 1.00 0.00 H ATOM 432 N VAL A 182 20.899 37.037 -13.579 1.00 62.81 N ATOM 433 CA VAL A 182 21.280 37.524 -14.900 1.00 68.14 C ATOM 434 C VAL A 182 22.750 37.913 -14.919 1.00 71.79 C ATOM 435 O VAL A 182 23.094 39.093 -14.988 1.00 72.97 O ATOM 436 CB VAL A 182 20.428 38.743 -15.310 1.00 68.30 C ATOM 437 CG1 VAL A 182 19.049 38.287 -15.763 1.00 68.77 C ATOM 438 CG2 VAL A 182 20.299 39.702 -14.139 1.00 68.67 C ATOM 439 HA VAL A 182 21.106 36.717 -15.611 1.00 0.00 H ATOM 440 HB VAL A 182 20.919 39.256 -16.137 1.00 0.00 H ATOM 441 HG11 VAL A 182 19.151 37.617 -16.617 1.00 0.00 H ATOM 442 HG12 VAL A 182 18.555 37.762 -14.946 1.00 0.00 H ATOM 443 HG13 VAL A 182 18.457 39.156 -16.050 1.00 0.00 H ATOM 444 HG21 VAL A 182 19.819 39.192 -13.304 1.00 0.00 H ATOM 445 HG22 VAL A 182 21.290 40.041 -13.838 1.00 0.00 H ATOM 446 HG23 VAL A 182 19.696 40.559 -14.438 1.00 0.00 H ATOM 447 H VAL A 182 20.598 37.720 -12.855 1.00 0.00 H ATOM 448 N ARG A 183 23.618 36.908 -14.860 1.00 75.97 N ATOM 449 CA ARG A 183 25.056 37.141 -14.858 1.00 79.69 C ATOM 450 C ARG A 183 25.584 37.489 -16.243 1.00 81.15 C ATOM 451 O ARG A 183 24.964 37.166 -17.255 1.00 81.06 O ATOM 452 CB ARG A 183 25.789 35.912 -14.303 1.00 81.34 C ATOM 453 CG ARG A 183 25.434 35.593 -12.853 1.00 84.32 C ATOM 454 CD ARG A 183 26.333 34.516 -12.251 1.00 86.55 C ATOM 455 NE ARG A 183 26.151 33.208 -12.875 1.00 88.40 N ATOM 456 CZ ARG A 183 26.792 32.106 -12.493 1.00 89.87 C ATOM 457 NH1 ARG A 183 27.659 32.154 -11.487 1.00 89.75 N ATOM 458 NH2 ARG A 183 26.571 30.955 -13.115 1.00 90.68 N ATOM 459 HA ARG A 183 25.247 37.999 -14.214 1.00 0.00 H ATOM 460 HB2 ARG A 183 25.532 35.050 -14.919 1.00 0.00 H ATOM 461 HB3 ARG A 183 26.862 36.094 -14.364 1.00 0.00 H ATOM 462 HG2 ARG A 183 25.534 36.503 -12.261 1.00 0.00 H ATOM 463 HG3 ARG A 183 24.401 35.247 -12.814 1.00 0.00 H ATOM 464 HD2 ARG A 183 26.108 34.429 -11.188 1.00 0.00 H ATOM 465 HD3 ARG A 183 27.372 34.820 -12.377 1.00 0.00 H ATOM 466 HE ARG A 183 25.480 33.133 -13.666 1.00 0.00 H ATOM 467 HH12 ARG A 183 28.159 31.292 -11.190 1.00 0.00 H ATOM 468 HH11 ARG A 183 27.838 33.054 -10.997 1.00 0.00 H ATOM 469 HH22 ARG A 183 27.074 30.096 -12.813 1.00 0.00 H ATOM 470 HH21 ARG A 183 25.895 30.912 -13.904 1.00 0.00 H ATOM 471 H ARG A 183 23.262 35.932 -14.814 1.00 0.00 H ATOM 472 N VAL A 184 26.731 38.161 -16.275 1.00 83.41 N ATOM 473 CA VAL A 184 27.361 38.569 -17.526 1.00 85.42 C ATOM 474 C VAL A 184 28.034 37.392 -18.223 1.00 86.65 C ATOM 475 O VAL A 184 28.393 36.400 -17.585 1.00 86.64 O ATOM 476 CB VAL A 184 28.417 39.670 -17.286 1.00 85.44 C ATOM 477 CG1 VAL A 184 27.738 40.958 -16.854 1.00 85.62 C ATOM 478 CG2 VAL A 184 29.406 39.217 -16.222 1.00 85.84 C ATOM 479 HA VAL A 184 26.566 38.957 -18.163 1.00 0.00 H ATOM 480 HB VAL A 184 28.957 39.852 -18.215 1.00 0.00 H ATOM 481 HG11 VAL A 184 27.051 41.284 -17.634 1.00 0.00 H ATOM 482 HG12 VAL A 184 27.185 40.784 -15.931 1.00 0.00 H ATOM 483 HG13 VAL A 184 28.492 41.727 -16.688 1.00 0.00 H ATOM 484 HG21 VAL A 184 28.873 39.021 -15.292 1.00 0.00 H ATOM 485 HG22 VAL A 184 29.905 38.307 -16.555 1.00 0.00 H ATOM 486 HG23 VAL A 184 30.147 40.000 -16.060 1.00 0.00 H ATOM 487 H VAL A 184 27.195 38.404 -15.377 1.00 0.00 H ATOM 488 N THR A 185 28.200 37.513 -19.537 1.00 88.14 N ATOM 489 CA THR A 185 28.824 36.463 -20.335 1.00 89.19 C ATOM 490 C THR A 185 29.553 37.104 -21.513 1.00 89.55 C ATOM 491 O THR A 185 29.859 38.298 -21.488 1.00 89.78 O ATOM 492 CB THR A 185 27.771 35.474 -20.879 1.00 89.52 C ATOM 493 OG1 THR A 185 26.726 35.313 -19.912 1.00 90.03 O ATOM 494 CG2 THR A 185 28.405 34.114 -21.145 1.00 89.26 C ATOM 495 HA THR A 185 29.520 35.914 -19.700 1.00 0.00 H ATOM 496 HB THR A 185 27.368 35.872 -21.810 1.00 0.00 H ATOM 497 HG1 THR A 185 27.109 34.960 -19.070 1.00 0.00 H ATOM 498 HG23 THR A 185 29.202 34.224 -21.880 1.00 0.00 H ATOM 499 HG21 THR A 185 28.817 33.719 -20.216 1.00 0.00 H ATOM 500 HG22 THR A 185 27.648 33.430 -21.528 1.00 0.00 H ATOM 501 H THR A 185 27.876 38.381 -20.009 1.00 0.00 H ATOM 502 N ALA A 186 29.827 36.311 -22.544 1.00 90.08 N ATOM 503 CA ALA A 186 30.517 36.808 -23.729 1.00 90.31 C ATOM 504 C ALA A 186 29.553 37.571 -24.635 1.00 90.18 C ATOM 505 O ALA A 186 29.783 38.738 -24.959 1.00 90.23 O ATOM 506 CB ALA A 186 31.144 35.645 -24.494 1.00 90.65 C ATOM 507 HA ALA A 186 31.304 37.492 -23.409 1.00 0.00 H ATOM 508 HB1 ALA A 186 31.859 35.132 -23.851 1.00 0.00 H ATOM 509 HB2 ALA A 186 30.363 34.949 -24.799 1.00 0.00 H ATOM 510 HB3 ALA A 186 31.657 36.027 -25.377 1.00 0.00 H ATOM 511 H ALA A 186 29.542 35.311 -22.505 1.00 0.00 H ATOM 512 N SER A 187 28.475 36.906 -25.042 1.00 89.38 N ATOM 513 CA SER A 187 27.476 37.521 -25.909 1.00 88.59 C ATOM 514 C SER A 187 26.704 38.600 -25.155 1.00 87.69 C ATOM 515 O SER A 187 25.963 39.381 -25.753 1.00 87.87 O ATOM 516 CB SER A 187 26.503 36.461 -26.427 1.00 88.93 C ATOM 517 OG SER A 187 25.820 35.824 -25.359 1.00 89.49 O ATOM 518 HA SER A 187 27.991 37.980 -26.753 1.00 0.00 H ATOM 519 HB2 SER A 187 27.060 35.712 -26.990 1.00 0.00 H ATOM 520 HB3 SER A 187 25.773 36.938 -27.082 1.00 0.00 H ATOM 521 HG SER A 187 25.199 35.145 -25.724 1.00 0.00 H ATOM 522 H SER A 187 28.341 35.922 -24.734 1.00 0.00 H ATOM 523 N GLY A 188 26.886 38.637 -23.838 1.00 86.26 N ATOM 524 CA GLY A 188 26.200 39.618 -23.018 1.00 84.07 C ATOM 525 C GLY A 188 25.500 38.971 -21.840 1.00 82.46 C ATOM 526 O GLY A 188 25.697 37.786 -21.569 1.00 82.26 O ATOM 527 HA3 GLY A 188 25.460 40.135 -23.629 1.00 0.00 H ATOM 528 HA2 GLY A 188 26.928 40.338 -22.645 1.00 0.00 H ATOM 529 H GLY A 188 27.529 37.953 -23.390 1.00 0.00 H ATOM 530 N LEU A 189 24.684 39.751 -21.138 1.00 80.71 N ATOM 531 CA LEU A 189 23.945 39.261 -19.976 1.00 78.78 C ATOM 532 C LEU A 189 23.084 38.046 -20.329 1.00 76.36 C ATOM 533 O LEU A 189 22.409 38.030 -21.361 1.00 76.68 O ATOM 534 CB LEU A 189 23.062 40.380 -19.412 1.00 79.58 C ATOM 535 CG LEU A 189 23.788 41.617 -18.870 1.00 79.77 C ATOM 536 CD1 LEU A 189 22.788 42.729 -18.593 1.00 79.82 C ATOM 537 CD2 LEU A 189 24.548 41.251 -17.606 1.00 79.53 C ATOM 538 HA LEU A 189 24.670 38.950 -19.223 1.00 0.00 H ATOM 539 HB2 LEU A 189 22.395 40.710 -20.209 1.00 0.00 H ATOM 540 HB3 LEU A 189 22.472 39.958 -18.598 1.00 0.00 H ATOM 541 HG LEU A 189 24.499 41.974 -19.615 1.00 0.00 H ATOM 542 HD21 LEU A 189 23.847 40.884 -16.856 1.00 0.00 H ATOM 543 HD22 LEU A 189 25.277 40.474 -17.834 1.00 0.00 H ATOM 544 HD23 LEU A 189 25.062 42.133 -17.225 1.00 0.00 H ATOM 545 HD11 LEU A 189 22.273 42.991 -19.517 1.00 0.00 H ATOM 546 HD12 LEU A 189 22.062 42.387 -17.855 1.00 0.00 H ATOM 547 HD13 LEU A 189 23.315 43.602 -18.209 1.00 0.00 H ATOM 548 H LEU A 189 24.567 40.744 -21.425 1.00 0.00 H ATOM 549 N GLU A 190 23.111 37.031 -19.469 1.00 72.77 N ATOM 550 CA GLU A 190 22.340 35.815 -19.703 1.00 69.16 C ATOM 551 C GLU A 190 21.752 35.271 -18.400 1.00 65.65 C ATOM 552 O GLU A 190 22.389 35.338 -17.349 1.00 65.61 O ATOM 553 CB GLU A 190 23.235 34.757 -20.353 1.00 70.62 C ATOM 554 CG GLU A 190 22.480 33.564 -20.915 1.00 73.09 C ATOM 555 CD GLU A 190 23.396 32.547 -21.571 1.00 74.32 C ATOM 556 OE1 GLU A 190 24.164 32.929 -22.480 1.00 74.51 O ATOM 557 OE2 GLU A 190 23.345 31.361 -21.182 1.00 75.88 O ATOM 558 HA GLU A 190 21.513 36.057 -20.370 1.00 0.00 H ATOM 559 HB2 GLU A 190 23.786 35.228 -21.167 1.00 0.00 H ATOM 560 HB3 GLU A 190 23.938 34.395 -19.602 1.00 0.00 H ATOM 561 HG2 GLU A 190 21.943 33.076 -20.102 1.00 0.00 H ATOM 562 HG3 GLU A 190 21.766 33.921 -21.658 1.00 0.00 H ATOM 563 H GLU A 190 23.694 37.106 -18.611 1.00 0.00 H ATOM 564 N LYS A 191 20.535 34.737 -18.470 1.00 60.50 N ATOM 565 CA LYS A 191 19.876 34.183 -17.292 1.00 55.74 C ATOM 566 C LYS A 191 20.356 32.775 -16.991 1.00 51.75 C ATOM 567 O LYS A 191 20.577 31.976 -17.898 1.00 50.36 O ATOM 568 CB LYS A 191 18.354 34.160 -17.475 1.00 57.05 C ATOM 569 CG LYS A 191 17.691 35.517 -17.430 1.00 58.77 C ATOM 570 CD LYS A 191 16.181 35.384 -17.517 1.00 59.85 C ATOM 571 CE LYS A 191 15.503 36.737 -17.384 1.00 60.57 C ATOM 572 NZ LYS A 191 14.022 36.642 -17.523 1.00 62.18 N ATOM 573 HA LYS A 191 20.135 34.831 -16.454 1.00 0.00 H ATOM 574 HB2 LYS A 191 18.135 33.707 -18.442 1.00 0.00 H ATOM 575 HB3 LYS A 191 17.926 33.546 -16.682 1.00 0.00 H ATOM 576 HG2 LYS A 191 17.953 36.012 -16.495 1.00 0.00 H ATOM 577 HG3 LYS A 191 18.046 36.116 -18.269 1.00 0.00 H ATOM 578 HD2 LYS A 191 15.917 34.947 -18.480 1.00 0.00 H ATOM 579 HD3 LYS A 191 15.834 34.732 -16.716 1.00 0.00 H ATOM 580 HE2 LYS A 191 15.887 37.400 -18.160 1.00 0.00 H ATOM 581 HE3 LYS A 191 15.738 37.153 -16.404 1.00 0.00 H ATOM 582 HZ1 LYS A 191 13.787 36.253 -18.459 1.00 0.00 H ATOM 583 HZ2 LYS A 191 13.645 36.017 -16.782 1.00 0.00 H ATOM 584 HZ3 LYS A 191 13.604 37.589 -17.425 1.00 0.00 H ATOM 585 H LYS A 191 20.042 34.714 -19.386 1.00 0.00 H ATOM 586 N GLN A 192 20.508 32.478 -15.706 1.00 47.30 N ATOM 587 CA GLN A 192 20.955 31.164 -15.273 1.00 44.86 C ATOM 588 C GLN A 192 20.311 30.850 -13.922 1.00 40.82 C ATOM 589 O GLN A 192 19.992 31.753 -13.151 1.00 37.92 O ATOM 590 CB GLN A 192 22.486 31.150 -15.148 1.00 48.77 C ATOM 591 CG GLN A 192 23.203 31.720 -16.372 1.00 53.35 C ATOM 592 CD GLN A 192 24.708 31.841 -16.192 1.00 58.73 C ATOM 593 OE1 GLN A 192 25.189 32.419 -15.213 1.00 59.04 O ATOM 594 NE2 GLN A 192 25.461 31.306 -17.149 1.00 60.99 N ATOM 595 HA GLN A 192 20.662 30.410 -16.003 1.00 0.00 H ATOM 596 HB2 GLN A 192 22.767 31.742 -14.277 1.00 0.00 H ATOM 597 HB3 GLN A 192 22.811 30.119 -15.006 1.00 0.00 H ATOM 598 HG2 GLN A 192 23.008 31.066 -17.222 1.00 0.00 H ATOM 599 HG3 GLN A 192 22.799 32.711 -16.578 1.00 0.00 H ATOM 600 HE22 GLN A 192 25.013 30.828 -17.957 1.00 0.00 H ATOM 601 HE21 GLN A 192 26.498 31.366 -17.090 1.00 0.00 H ATOM 602 H GLN A 192 20.302 33.204 -14.991 1.00 0.00 H ATOM 603 N PRO A 193 20.084 29.563 -13.629 1.00 38.04 N ATOM 604 CA PRO A 193 19.477 29.177 -12.348 1.00 36.32 C ATOM 605 C PRO A 193 20.404 29.608 -11.204 1.00 34.20 C ATOM 606 O PRO A 193 21.595 29.838 -11.430 1.00 34.22 O ATOM 607 CB PRO A 193 19.373 27.660 -12.464 1.00 37.41 C ATOM 608 CG PRO A 193 19.230 27.443 -13.952 1.00 37.64 C ATOM 609 CD PRO A 193 20.249 28.395 -14.506 1.00 36.49 C ATOM 610 HA PRO A 193 18.510 29.636 -12.142 1.00 0.00 H ATOM 611 HD3 PRO A 193 21.256 27.984 -14.434 1.00 0.00 H ATOM 612 HD2 PRO A 193 20.034 28.646 -15.545 1.00 0.00 H ATOM 613 HG3 PRO A 193 18.226 27.694 -14.294 1.00 0.00 H ATOM 614 HG2 PRO A 193 19.459 26.413 -14.226 1.00 0.00 H ATOM 615 HB2 PRO A 193 20.271 27.175 -12.081 1.00 0.00 H ATOM 616 HB3 PRO A 193 18.502 27.284 -11.927 1.00 0.00 H ATOM 617 N GLY A 194 19.860 29.736 -9.995 1.00 30.67 N ATOM 618 CA GLY A 194 20.672 30.144 -8.859 1.00 28.08 C ATOM 619 C GLY A 194 20.013 29.919 -7.509 1.00 26.00 C ATOM 620 O GLY A 194 18.819 29.624 -7.428 1.00 26.89 O ATOM 621 HA3 GLY A 194 20.891 31.207 -8.960 1.00 0.00 H ATOM 622 HA2 GLY A 194 21.603 29.578 -8.884 1.00 0.00 H ATOM 623 H GLY A 194 18.847 29.543 -9.862 1.00 0.00 H ATOM 624 N ILE A 195 20.795 30.048 -6.444 1.00 25.21 N ATOM 625 CA ILE A 195 20.291 29.858 -5.081 1.00 23.92 C ATOM 626 C ILE A 195 20.324 31.208 -4.366 1.00 24.69 C ATOM 627 O ILE A 195 21.325 31.923 -4.432 1.00 25.12 O ATOM 628 CB ILE A 195 21.165 28.846 -4.292 1.00 23.55 C ATOM 629 CG1 ILE A 195 21.242 27.511 -5.045 1.00 22.02 C ATOM 630 CG2 ILE A 195 20.591 28.640 -2.887 1.00 22.55 C ATOM 631 CD1 ILE A 195 19.914 26.804 -5.239 1.00 21.27 C ATOM 632 HA ILE A 195 19.276 29.463 -5.131 1.00 0.00 H ATOM 633 HB ILE A 195 22.174 29.247 -4.199 1.00 0.00 H ATOM 634 HG12 ILE A 195 21.670 27.702 -6.029 1.00 0.00 H ATOM 635 HG13 ILE A 195 21.901 26.846 -4.487 1.00 0.00 H ATOM 636 HD11 ILE A 195 19.473 26.588 -4.266 1.00 0.00 H ATOM 637 HD12 ILE A 195 19.242 27.445 -5.809 1.00 0.00 H ATOM 638 HD13 ILE A 195 20.076 25.872 -5.781 1.00 0.00 H ATOM 639 HG21 ILE A 195 20.579 29.593 -2.358 1.00 0.00 H ATOM 640 HG22 ILE A 195 19.575 28.253 -2.964 1.00 0.00 H ATOM 641 HG23 ILE A 195 21.212 27.928 -2.343 1.00 0.00 H ATOM 642 H ILE A 195 21.797 30.292 -6.581 1.00 0.00 H ATOM 643 N PHE A 196 19.228 31.563 -3.700 1.00 25.50 N ATOM 644 CA PHE A 196 19.145 32.844 -2.992 1.00 25.80 C ATOM 645 C PHE A 196 18.617 32.690 -1.579 1.00 25.74 C ATOM 646 O PHE A 196 17.930 31.720 -1.249 1.00 23.82 O ATOM 647 CB PHE A 196 18.218 33.826 -3.728 1.00 28.10 C ATOM 648 CG PHE A 196 18.671 34.172 -5.122 1.00 28.88 C ATOM 649 CD1 PHE A 196 18.592 33.232 -6.146 1.00 28.07 C ATOM 650 CD2 PHE A 196 19.157 35.438 -5.410 1.00 26.79 C ATOM 651 CE1 PHE A 196 19.004 33.549 -7.438 1.00 30.08 C ATOM 652 CE2 PHE A 196 19.572 35.765 -6.695 1.00 28.87 C ATOM 653 CZ PHE A 196 19.491 34.819 -7.713 1.00 28.28 C ATOM 654 HA PHE A 196 20.165 33.228 -2.958 1.00 0.00 H ATOM 655 HB2 PHE A 196 17.226 33.379 -3.791 1.00 0.00 H ATOM 656 HB3 PHE A 196 18.164 34.747 -3.147 1.00 0.00 H ATOM 657 HD2 PHE A 196 19.214 36.186 -4.619 1.00 0.00 H ATOM 658 HE2 PHE A 196 19.961 36.761 -6.906 1.00 0.00 H ATOM 659 HZ PHE A 196 19.809 35.075 -8.724 1.00 0.00 H ATOM 660 HE1 PHE A 196 18.944 32.803 -8.230 1.00 0.00 H ATOM 661 HD1 PHE A 196 18.203 32.236 -5.934 1.00 0.00 H ATOM 662 H PHE A 196 18.413 30.918 -3.681 1.00 0.00 H ATOM 663 N ILE A 197 18.951 33.658 -0.740 1.00 27.15 N ATOM 664 CA ILE A 197 18.465 33.659 0.631 1.00 27.98 C ATOM 665 C ILE A 197 17.080 34.298 0.585 1.00 28.38 C ATOM 666 O ILE A 197 16.933 35.423 0.127 1.00 27.69 O ATOM 667 CB ILE A 197 19.378 34.491 1.540 1.00 29.11 C ATOM 668 CG1 ILE A 197 20.756 33.824 1.638 1.00 28.55 C ATOM 669 CG2 ILE A 197 18.741 34.647 2.922 1.00 27.96 C ATOM 670 CD1 ILE A 197 21.687 34.472 2.634 1.00 31.98 C ATOM 671 HA ILE A 197 18.442 32.646 1.032 1.00 0.00 H ATOM 672 HB ILE A 197 19.507 35.486 1.114 1.00 0.00 H ATOM 673 HG12 ILE A 197 20.613 32.784 1.930 1.00 0.00 H ATOM 674 HG13 ILE A 197 21.226 33.863 0.655 1.00 0.00 H ATOM 675 HD11 ILE A 197 21.853 35.511 2.351 1.00 0.00 H ATOM 676 HD12 ILE A 197 21.240 34.431 3.627 1.00 0.00 H ATOM 677 HD13 ILE A 197 22.638 33.939 2.640 1.00 0.00 H ATOM 678 HG21 ILE A 197 17.779 35.150 2.823 1.00 0.00 H ATOM 679 HG22 ILE A 197 18.594 33.662 3.366 1.00 0.00 H ATOM 680 HG23 ILE A 197 19.398 35.239 3.559 1.00 0.00 H ATOM 681 H ILE A 197 19.569 34.428 -1.066 1.00 0.00 H ATOM 682 N SER A 198 16.072 33.563 1.036 1.00 30.56 N ATOM 683 CA SER A 198 14.700 34.053 1.021 1.00 32.98 C ATOM 684 C SER A 198 14.402 34.858 2.276 1.00 34.50 C ATOM 685 O SER A 198 13.767 35.905 2.201 1.00 36.37 O ATOM 686 CB SER A 198 13.719 32.881 0.906 1.00 30.96 C ATOM 687 OG SER A 198 13.866 32.010 2.008 1.00 34.38 O ATOM 688 HA SER A 198 14.580 34.704 0.155 1.00 0.00 H ATOM 689 HB2 SER A 198 13.919 32.333 -0.015 1.00 0.00 H ATOM 690 HB3 SER A 198 12.699 33.266 0.885 1.00 0.00 H ATOM 691 HG SER A 198 13.227 31.259 1.921 1.00 0.00 H ATOM 692 H SER A 198 16.266 32.612 1.410 1.00 0.00 H ATOM 693 N ARG A 199 14.865 34.369 3.425 1.00 35.03 N ATOM 694 CA ARG A 199 14.648 35.080 4.680 1.00 36.10 C ATOM 695 C ARG A 199 15.530 34.628 5.839 1.00 36.13 C ATOM 696 O ARG A 199 16.146 33.555 5.804 1.00 33.12 O ATOM 697 CB ARG A 199 13.185 34.999 5.108 1.00 38.50 C ATOM 698 CG ARG A 199 12.664 33.610 5.305 1.00 40.03 C ATOM 699 CD ARG A 199 11.401 33.619 6.142 1.00 42.43 C ATOM 700 NE ARG A 199 10.689 32.355 6.000 1.00 43.71 N ATOM 701 CZ ARG A 199 9.923 31.817 6.940 1.00 45.39 C ATOM 702 NH1 ARG A 199 9.771 32.437 8.102 1.00 46.02 N ATOM 703 NH2 ARG A 199 9.314 30.659 6.717 1.00 45.34 N ATOM 704 HA ARG A 199 14.932 36.109 4.459 1.00 0.00 H ATOM 705 HB2 ARG A 199 13.076 35.539 6.049 1.00 0.00 H ATOM 706 HB3 ARG A 199 12.580 35.483 4.341 1.00 0.00 H ATOM 707 HG2 ARG A 199 12.445 33.170 4.332 1.00 0.00 H ATOM 708 HG3 ARG A 199 13.423 33.012 5.810 1.00 0.00 H ATOM 709 HD2 ARG A 199 10.757 34.434 5.812 1.00 0.00 H ATOM 710 HD3 ARG A 199 11.665 33.768 7.189 1.00 0.00 H ATOM 711 HE ARG A 199 10.788 31.841 5.102 1.00 0.00 H ATOM 712 HH12 ARG A 199 9.171 32.017 8.841 1.00 0.00 H ATOM 713 HH11 ARG A 199 10.252 33.343 8.275 1.00 0.00 H ATOM 714 HH22 ARG A 199 8.713 30.237 7.454 1.00 0.00 H ATOM 715 HH21 ARG A 199 9.437 30.174 5.806 1.00 0.00 H ATOM 716 H ARG A 199 15.387 33.470 3.427 1.00 0.00 H ATOM 717 N LEU A 200 15.569 35.466 6.872 1.00 35.84 N ATOM 718 CA LEU A 200 16.385 35.226 8.057 1.00 35.78 C ATOM 719 C LEU A 200 15.520 34.903 9.267 1.00 36.22 C ATOM 720 O LEU A 200 14.434 35.463 9.435 1.00 38.50 O ATOM 721 CB LEU A 200 17.231 36.473 8.346 1.00 35.61 C ATOM 722 CG LEU A 200 18.066 37.012 7.175 1.00 36.66 C ATOM 723 CD1 LEU A 200 18.677 38.365 7.530 1.00 36.94 C ATOM 724 CD2 LEU A 200 19.151 36.007 6.823 1.00 35.00 C ATOM 725 HA LEU A 200 17.031 34.369 7.866 1.00 0.00 H ATOM 726 HB2 LEU A 200 16.556 37.266 8.666 1.00 0.00 H ATOM 727 HB3 LEU A 200 17.915 36.230 9.159 1.00 0.00 H ATOM 728 HG LEU A 200 17.419 37.154 6.309 1.00 0.00 H ATOM 729 HD21 LEU A 200 19.795 35.851 7.689 1.00 0.00 H ATOM 730 HD22 LEU A 200 18.690 35.062 6.537 1.00 0.00 H ATOM 731 HD23 LEU A 200 19.743 36.390 5.992 1.00 0.00 H ATOM 732 HD11 LEU A 200 17.880 39.075 7.753 1.00 0.00 H ATOM 733 HD12 LEU A 200 19.321 38.254 8.402 1.00 0.00 H ATOM 734 HD13 LEU A 200 19.264 38.729 6.687 1.00 0.00 H ATOM 735 H LEU A 200 14.992 36.330 6.833 1.00 0.00 H ATOM 736 N VAL A 201 15.996 33.988 10.101 1.00 34.38 N ATOM 737 CA VAL A 201 15.271 33.618 11.302 1.00 33.41 C ATOM 738 C VAL A 201 15.471 34.731 12.329 1.00 34.93 C ATOM 739 O VAL A 201 16.604 35.100 12.635 1.00 32.17 O ATOM 740 CB VAL A 201 15.797 32.286 11.894 1.00 32.93 C ATOM 741 CG1 VAL A 201 15.095 31.984 13.223 1.00 33.47 C ATOM 742 CG2 VAL A 201 15.556 31.149 10.912 1.00 31.08 C ATOM 743 HA VAL A 201 14.218 33.483 11.056 1.00 0.00 H ATOM 744 HB VAL A 201 16.868 32.381 12.074 1.00 0.00 H ATOM 745 HG11 VAL A 201 15.292 32.791 13.928 1.00 0.00 H ATOM 746 HG12 VAL A 201 14.021 31.901 13.055 1.00 0.00 H ATOM 747 HG13 VAL A 201 15.474 31.046 13.628 1.00 0.00 H ATOM 748 HG21 VAL A 201 14.487 31.059 10.718 1.00 0.00 H ATOM 749 HG22 VAL A 201 16.079 31.359 9.979 1.00 0.00 H ATOM 750 HG23 VAL A 201 15.929 30.218 11.338 1.00 0.00 H ATOM 751 H VAL A 201 16.905 33.528 9.890 1.00 0.00 H ATOM 752 N PRO A 202 14.371 35.287 12.868 1.00 36.03 N ATOM 753 CA PRO A 202 14.506 36.358 13.862 1.00 35.58 C ATOM 754 C PRO A 202 15.333 35.906 15.064 1.00 34.24 C ATOM 755 O PRO A 202 15.091 34.841 15.619 1.00 34.88 O ATOM 756 CB PRO A 202 13.050 36.674 14.227 1.00 37.10 C ATOM 757 CG PRO A 202 12.349 35.368 14.007 1.00 38.56 C ATOM 758 CD PRO A 202 12.959 34.899 12.703 1.00 35.69 C ATOM 759 HA PRO A 202 15.039 37.233 13.491 1.00 0.00 H ATOM 760 HD3 PRO A 202 12.856 33.821 12.582 1.00 0.00 H ATOM 761 HD2 PRO A 202 12.506 35.404 11.850 1.00 0.00 H ATOM 762 HG3 PRO A 202 11.272 35.507 13.913 1.00 0.00 H ATOM 763 HG2 PRO A 202 12.555 34.667 14.816 1.00 0.00 H ATOM 764 HB2 PRO A 202 12.968 36.992 15.266 1.00 0.00 H ATOM 765 HB3 PRO A 202 12.644 37.450 13.578 1.00 0.00 H ATOM 766 N GLY A 203 16.320 36.712 15.443 1.00 34.24 N ATOM 767 CA GLY A 203 17.165 36.368 16.573 1.00 34.24 C ATOM 768 C GLY A 203 18.155 35.252 16.279 1.00 34.58 C ATOM 769 O GLY A 203 18.891 34.827 17.172 1.00 32.71 O ATOM 770 HA3 GLY A 203 16.526 36.053 17.398 1.00 0.00 H ATOM 771 HA2 GLY A 203 17.724 37.256 16.868 1.00 0.00 H ATOM 772 H GLY A 203 16.489 37.598 14.925 1.00 0.00 H ATOM 773 N GLY A 204 18.185 34.781 15.031 1.00 32.85 N ATOM 774 CA GLY A 204 19.097 33.707 14.667 1.00 31.88 C ATOM 775 C GLY A 204 20.516 34.170 14.394 1.00 31.62 C ATOM 776 O GLY A 204 20.773 35.361 14.230 1.00 30.19 O ATOM 777 HA3 GLY A 204 18.715 33.222 13.768 1.00 0.00 H ATOM 778 HA2 GLY A 204 19.122 32.986 15.484 1.00 0.00 H ATOM 779 H GLY A 204 17.551 35.185 14.312 1.00 0.00 H ATOM 780 N LEU A 205 21.443 33.217 14.335 1.00 33.51 N ATOM 781 CA LEU A 205 22.853 33.525 14.095 1.00 33.83 C ATOM 782 C LEU A 205 23.087 34.382 12.847 1.00 34.10 C ATOM 783 O LEU A 205 23.731 35.426 12.923 1.00 34.35 O ATOM 784 CB LEU A 205 23.671 32.229 13.991 1.00 35.37 C ATOM 785 CG LEU A 205 25.179 32.351 13.721 1.00 36.80 C ATOM 786 CD1 LEU A 205 25.849 33.178 14.809 1.00 37.33 C ATOM 787 CD2 LEU A 205 25.802 30.960 13.670 1.00 39.08 C ATOM 788 HA LEU A 205 23.184 34.114 14.950 1.00 0.00 H ATOM 789 HB2 LEU A 205 23.552 31.693 14.933 1.00 0.00 H ATOM 790 HB3 LEU A 205 23.243 31.638 13.181 1.00 0.00 H ATOM 791 HG LEU A 205 25.327 32.851 12.764 1.00 0.00 H ATOM 792 HD21 LEU A 205 25.643 30.457 14.624 1.00 0.00 H ATOM 793 HD22 LEU A 205 25.335 30.383 12.871 1.00 0.00 H ATOM 794 HD23 LEU A 205 26.871 31.049 13.478 1.00 0.00 H ATOM 795 HD11 LEU A 205 25.410 34.175 14.828 1.00 0.00 H ATOM 796 HD12 LEU A 205 25.699 32.695 15.775 1.00 0.00 H ATOM 797 HD13 LEU A 205 26.916 33.253 14.601 1.00 0.00 H ATOM 798 H LEU A 205 21.157 32.225 14.463 1.00 0.00 H ATOM 799 N ALA A 206 22.570 33.947 11.701 1.00 34.33 N ATOM 800 CA ALA A 206 22.759 34.701 10.464 1.00 34.86 C ATOM 801 C ALA A 206 22.357 36.168 10.628 1.00 35.96 C ATOM 802 O ALA A 206 23.125 37.068 10.286 1.00 36.12 O ATOM 803 CB ALA A 206 21.964 34.068 9.332 1.00 33.33 C ATOM 804 HA ALA A 206 23.821 34.670 10.220 1.00 0.00 H ATOM 805 HB1 ALA A 206 22.304 33.043 9.180 1.00 0.00 H ATOM 806 HB2 ALA A 206 20.905 34.067 9.590 1.00 0.00 H ATOM 807 HB3 ALA A 206 22.116 34.642 8.418 1.00 0.00 H ATOM 808 H ALA A 206 22.026 33.061 11.686 1.00 0.00 H ATOM 809 N GLU A 207 21.159 36.410 11.150 1.00 38.01 N ATOM 810 CA GLU A 207 20.684 37.777 11.340 1.00 40.26 C ATOM 811 C GLU A 207 21.591 38.564 12.288 1.00 41.47 C ATOM 812 O GLU A 207 21.877 39.736 12.048 1.00 41.55 O ATOM 813 CB GLU A 207 19.256 37.771 11.893 1.00 40.81 C ATOM 814 CG GLU A 207 18.647 39.159 12.062 1.00 43.28 C ATOM 815 CD GLU A 207 17.239 39.117 12.633 1.00 44.17 C ATOM 816 OE1 GLU A 207 17.074 38.675 13.791 1.00 43.42 O ATOM 817 OE2 GLU A 207 16.296 39.522 11.919 1.00 45.60 O ATOM 818 HA GLU A 207 20.700 38.265 10.366 1.00 0.00 H ATOM 819 HB2 GLU A 207 18.626 37.202 11.209 1.00 0.00 H ATOM 820 HB3 GLU A 207 19.268 37.281 12.867 1.00 0.00 H ATOM 821 HG2 GLU A 207 19.279 39.738 12.735 1.00 0.00 H ATOM 822 HG3 GLU A 207 18.614 39.646 11.088 1.00 0.00 H ATOM 823 H GLU A 207 20.551 35.613 11.427 1.00 0.00 H ATOM 824 N SER A 208 22.055 37.912 13.351 1.00 43.39 N ATOM 825 CA SER A 208 22.909 38.574 14.337 1.00 45.07 C ATOM 826 C SER A 208 24.195 39.140 13.743 1.00 45.17 C ATOM 827 O SER A 208 24.667 40.195 14.168 1.00 44.95 O ATOM 828 CB SER A 208 23.267 37.604 15.466 1.00 46.69 C ATOM 829 OG SER A 208 24.214 36.641 15.029 1.00 47.14 O ATOM 830 HA SER A 208 22.330 39.414 14.720 1.00 0.00 H ATOM 831 HB2 SER A 208 22.363 37.091 15.796 1.00 0.00 H ATOM 832 HB3 SER A 208 23.689 38.166 16.299 1.00 0.00 H ATOM 833 HG SER A 208 23.834 36.125 14.275 1.00 0.00 H ATOM 834 H SER A 208 21.805 36.911 13.484 1.00 0.00 H ATOM 835 N THR A 209 24.753 38.442 12.759 1.00 45.22 N ATOM 836 CA THR A 209 25.991 38.877 12.123 1.00 43.88 C ATOM 837 C THR A 209 25.796 40.144 11.303 1.00 44.02 C ATOM 838 O THR A 209 26.683 40.991 11.234 1.00 43.12 O ATOM 839 CB THR A 209 26.540 37.806 11.177 1.00 43.89 C ATOM 840 OG1 THR A 209 25.771 37.802 9.965 1.00 43.41 O ATOM 841 CG2 THR A 209 26.461 36.433 11.830 1.00 44.91 C ATOM 842 HA THR A 209 26.690 39.064 12.938 1.00 0.00 H ATOM 843 HB THR A 209 27.583 38.032 10.954 1.00 0.00 H ATOM 844 HG1 THR A 209 24.824 37.604 10.177 1.00 0.00 H ATOM 845 HG23 THR A 209 27.045 36.436 12.750 1.00 0.00 H ATOM 846 HG21 THR A 209 25.421 36.200 12.059 1.00 0.00 H ATOM 847 HG22 THR A 209 26.861 35.684 11.147 1.00 0.00 H ATOM 848 H THR A 209 24.296 37.566 12.435 1.00 0.00 H ATOM 849 N GLY A 210 24.634 40.263 10.671 1.00 44.65 N ATOM 850 CA GLY A 210 24.364 41.426 9.847 1.00 45.15 C ATOM 851 C GLY A 210 25.135 41.400 8.536 1.00 45.13 C ATOM 852 O GLY A 210 25.280 42.429 7.878 1.00 46.05 O ATOM 853 HA3 GLY A 210 24.646 42.321 10.401 1.00 0.00 H ATOM 854 HA2 GLY A 210 23.297 41.458 9.625 1.00 0.00 H ATOM 855 H GLY A 210 23.914 39.519 10.767 1.00 0.00 H ATOM 856 N LEU A 211 25.631 40.227 8.151 1.00 44.06 N ATOM 857 CA LEU A 211 26.391 40.095 6.906 1.00 43.95 C ATOM 858 C LEU A 211 25.556 39.469 5.789 1.00 43.27 C ATOM 859 O LEU A 211 25.876 39.607 4.606 1.00 44.06 O ATOM 860 CB LEU A 211 27.656 39.260 7.142 1.00 44.41 C ATOM 861 CG LEU A 211 28.696 39.859 8.096 1.00 45.89 C ATOM 862 CD1 LEU A 211 29.815 38.856 8.348 1.00 47.06 C ATOM 863 CD2 LEU A 211 29.247 41.144 7.503 1.00 45.38 C ATOM 864 HA LEU A 211 26.671 41.099 6.588 1.00 0.00 H ATOM 865 HB2 LEU A 211 27.348 38.297 7.548 1.00 0.00 H ATOM 866 HB3 LEU A 211 28.139 39.108 6.177 1.00 0.00 H ATOM 867 HG LEU A 211 28.224 40.088 9.051 1.00 0.00 H ATOM 868 HD21 LEU A 211 29.716 40.928 6.543 1.00 0.00 H ATOM 869 HD22 LEU A 211 28.433 41.855 7.359 1.00 0.00 H ATOM 870 HD23 LEU A 211 29.986 41.569 8.182 1.00 0.00 H ATOM 871 HD11 LEU A 211 29.398 37.953 8.794 1.00 0.00 H ATOM 872 HD12 LEU A 211 30.297 38.607 7.403 1.00 0.00 H ATOM 873 HD13 LEU A 211 30.547 39.293 9.027 1.00 0.00 H ATOM 874 H LEU A 211 25.476 39.388 8.745 1.00 0.00 H ATOM 875 N LEU A 212 24.483 38.785 6.169 1.00 41.03 N ATOM 876 CA LEU A 212 23.600 38.142 5.204 1.00 40.88 C ATOM 877 C LEU A 212 22.249 38.843 5.147 1.00 40.28 C ATOM 878 O LEU A 212 21.712 39.265 6.173 1.00 39.96 O ATOM 879 CB LEU A 212 23.396 36.671 5.574 1.00 39.40 C ATOM 880 CG LEU A 212 24.661 35.811 5.609 1.00 39.39 C ATOM 881 CD1 LEU A 212 24.367 34.490 6.293 1.00 38.20 C ATOM 882 CD2 LEU A 212 25.171 35.593 4.195 1.00 38.98 C ATOM 883 HA LEU A 212 24.069 38.210 4.223 1.00 0.00 H ATOM 884 HB2 LEU A 212 22.939 36.635 6.563 1.00 0.00 H ATOM 885 HB3 LEU A 212 22.714 36.234 4.844 1.00 0.00 H ATOM 886 HG LEU A 212 25.436 36.324 6.178 1.00 0.00 H ATOM 887 HD21 LEU A 212 24.405 35.086 3.608 1.00 0.00 H ATOM 888 HD22 LEU A 212 25.401 36.557 3.740 1.00 0.00 H ATOM 889 HD23 LEU A 212 26.072 34.980 4.225 1.00 0.00 H ATOM 890 HD11 LEU A 212 24.030 34.677 7.313 1.00 0.00 H ATOM 891 HD12 LEU A 212 23.588 33.963 5.743 1.00 0.00 H ATOM 892 HD13 LEU A 212 25.273 33.884 6.314 1.00 0.00 H ATOM 893 H LEU A 212 24.267 38.706 7.183 1.00 0.00 H ATOM 894 N ALA A 213 21.701 38.966 3.944 1.00 39.35 N ATOM 895 CA ALA A 213 20.412 39.623 3.774 1.00 38.20 C ATOM 896 C ALA A 213 19.563 38.931 2.719 1.00 37.19 C ATOM 897 O ALA A 213 20.077 38.186 1.876 1.00 35.87 O ATOM 898 CB ALA A 213 20.618 41.089 3.399 1.00 37.88 C ATOM 899 HA ALA A 213 19.880 39.561 4.723 1.00 0.00 H ATOM 900 HB1 ALA A 213 21.175 41.590 4.191 1.00 0.00 H ATOM 901 HB2 ALA A 213 21.177 41.149 2.465 1.00 0.00 H ATOM 902 HB3 ALA A 213 19.648 41.571 3.274 1.00 0.00 H ATOM 903 H ALA A 213 22.198 38.588 3.112 1.00 0.00 H ATOM 904 N VAL A 214 18.261 39.180 2.779 1.00 35.59 N ATOM 905 CA VAL A 214 17.327 38.608 1.829 1.00 36.01 C ATOM 906 C VAL A 214 17.717 38.981 0.405 1.00 35.68 C ATOM 907 O VAL A 214 18.193 40.088 0.153 1.00 34.07 O ATOM 908 CB VAL A 214 15.885 39.094 2.108 1.00 37.86 C ATOM 909 CG1 VAL A 214 14.945 38.593 1.022 1.00 39.13 C ATOM 910 CG2 VAL A 214 15.422 38.603 3.472 1.00 36.31 C ATOM 911 HA VAL A 214 17.363 37.524 1.942 1.00 0.00 H ATOM 912 HB VAL A 214 15.874 40.184 2.106 1.00 0.00 H ATOM 913 HG11 VAL A 214 15.272 38.976 0.055 1.00 0.00 H ATOM 914 HG12 VAL A 214 14.959 37.503 1.006 1.00 0.00 H ATOM 915 HG13 VAL A 214 13.933 38.942 1.230 1.00 0.00 H ATOM 916 HG21 VAL A 214 15.443 37.513 3.491 1.00 0.00 H ATOM 917 HG22 VAL A 214 16.087 38.994 4.242 1.00 0.00 H ATOM 918 HG23 VAL A 214 14.406 38.952 3.657 1.00 0.00 H ATOM 919 H VAL A 214 17.900 39.803 3.529 1.00 0.00 H ATOM 920 N ASN A 215 17.535 38.032 -0.510 1.00 35.99 N ATOM 921 CA ASN A 215 17.842 38.222 -1.923 1.00 35.54 C ATOM 922 C ASN A 215 19.314 38.102 -2.278 1.00 34.37 C ATOM 923 O ASN A 215 19.681 38.194 -3.448 1.00 33.45 O ATOM 924 CB ASN A 215 17.286 39.560 -2.420 1.00 36.94 C ATOM 925 CG ASN A 215 15.780 39.529 -2.593 1.00 40.60 C ATOM 926 OD1 ASN A 215 15.144 40.561 -2.816 1.00 44.32 O ATOM 927 ND2 ASN A 215 15.200 38.334 -2.500 1.00 40.06 N ATOM 928 HA ASN A 215 17.349 37.395 -2.434 1.00 0.00 H ATOM 929 HB2 ASN A 215 17.540 40.336 -1.698 1.00 0.00 H ATOM 930 HB3 ASN A 215 17.745 39.795 -3.380 1.00 0.00 H ATOM 931 HD22 ASN A 215 15.777 37.489 -2.310 1.00 0.00 H ATOM 932 HD21 ASN A 215 14.170 38.245 -2.617 1.00 0.00 H ATOM 933 H ASN A 215 17.157 37.113 -0.203 1.00 0.00 H ATOM 934 N ASP A 216 20.161 37.898 -1.275 1.00 32.91 N ATOM 935 CA ASP A 216 21.585 37.701 -1.538 1.00 31.53 C ATOM 936 C ASP A 216 21.694 36.377 -2.298 1.00 28.43 C ATOM 937 O ASP A 216 20.918 35.471 -2.053 1.00 28.20 O ATOM 938 CB ASP A 216 22.364 37.603 -0.232 1.00 33.32 C ATOM 939 CG ASP A 216 22.654 38.958 0.380 1.00 37.44 C ATOM 940 OD1 ASP A 216 22.004 39.941 -0.018 1.00 38.43 O ATOM 941 OD2 ASP A 216 23.527 39.037 1.272 1.00 39.44 O ATOM 942 HA ASP A 216 21.997 38.536 -2.106 1.00 0.00 H ATOM 943 HB2 ASP A 216 21.781 37.017 0.479 1.00 0.00 H ATOM 944 HB3 ASP A 216 23.310 37.099 -0.427 1.00 0.00 H ATOM 945 H ASP A 216 19.809 37.878 -0.297 1.00 0.00 H ATOM 946 N GLU A 217 22.636 36.272 -3.228 1.00 28.91 N ATOM 947 CA GLU A 217 22.773 35.041 -4.001 1.00 27.81 C ATOM 948 C GLU A 217 23.924 34.189 -3.482 1.00 25.09 C ATOM 949 O GLU A 217 25.044 34.663 -3.330 1.00 26.65 O ATOM 950 CB GLU A 217 23.016 35.337 -5.488 1.00 28.48 C ATOM 951 CG GLU A 217 22.764 34.111 -6.384 1.00 29.60 C ATOM 952 CD GLU A 217 23.396 34.230 -7.763 1.00 28.99 C ATOM 953 OE1 GLU A 217 23.624 35.371 -8.228 1.00 29.57 O ATOM 954 OE2 GLU A 217 23.626 33.184 -8.411 1.00 27.84 O ATOM 955 HA GLU A 217 21.836 34.496 -3.889 1.00 0.00 H ATOM 956 HB2 GLU A 217 22.347 36.140 -5.798 1.00 0.00 H ATOM 957 HB3 GLU A 217 24.050 35.657 -5.616 1.00 0.00 H ATOM 958 HG2 GLU A 217 23.176 33.231 -5.890 1.00 0.00 H ATOM 959 HG3 GLU A 217 21.688 33.987 -6.506 1.00 0.00 H ATOM 960 H GLU A 217 23.279 37.070 -3.406 1.00 0.00 H ATOM 961 N VAL A 218 23.637 32.925 -3.207 1.00 24.40 N ATOM 962 CA VAL A 218 24.655 32.000 -2.721 1.00 22.10 C ATOM 963 C VAL A 218 25.472 31.543 -3.918 1.00 22.14 C ATOM 964 O VAL A 218 24.940 30.995 -4.876 1.00 21.33 O ATOM 965 CB VAL A 218 24.015 30.782 -2.045 1.00 24.71 C ATOM 966 CG1 VAL A 218 25.096 29.857 -1.518 1.00 20.67 C ATOM 967 CG2 VAL A 218 23.118 31.246 -0.898 1.00 24.46 C ATOM 968 HA VAL A 218 25.282 32.501 -1.983 1.00 0.00 H ATOM 969 HB VAL A 218 23.412 30.240 -2.774 1.00 0.00 H ATOM 970 HG11 VAL A 218 25.721 29.522 -2.346 1.00 0.00 H ATOM 971 HG12 VAL A 218 25.708 30.392 -0.792 1.00 0.00 H ATOM 972 HG13 VAL A 218 24.633 28.994 -1.039 1.00 0.00 H ATOM 973 HG21 VAL A 218 23.716 31.793 -0.169 1.00 0.00 H ATOM 974 HG22 VAL A 218 22.336 31.896 -1.290 1.00 0.00 H ATOM 975 HG23 VAL A 218 22.664 30.378 -0.419 1.00 0.00 H ATOM 976 H VAL A 218 22.663 32.584 -3.341 1.00 0.00 H ATOM 977 N ILE A 219 26.772 31.789 -3.874 1.00 21.33 N ATOM 978 CA ILE A 219 27.640 31.411 -4.977 1.00 21.96 C ATOM 979 C ILE A 219 28.364 30.101 -4.698 1.00 21.97 C ATOM 980 O ILE A 219 28.511 29.256 -5.580 1.00 19.48 O ATOM 981 CB ILE A 219 28.687 32.510 -5.267 1.00 23.32 C ATOM 982 CG1 ILE A 219 27.968 33.846 -5.495 1.00 25.02 C ATOM 983 CG2 ILE A 219 29.511 32.124 -6.493 1.00 23.59 C ATOM 984 CD1 ILE A 219 27.015 33.841 -6.705 1.00 23.32 C ATOM 985 HA ILE A 219 26.998 31.283 -5.848 1.00 0.00 H ATOM 986 HB ILE A 219 29.362 32.614 -4.417 1.00 0.00 H ATOM 987 HG12 ILE A 219 27.389 34.082 -4.602 1.00 0.00 H ATOM 988 HG13 ILE A 219 28.720 34.619 -5.653 1.00 0.00 H ATOM 989 HD11 ILE A 219 27.580 33.619 -7.610 1.00 0.00 H ATOM 990 HD12 ILE A 219 26.248 33.081 -6.558 1.00 0.00 H ATOM 991 HD13 ILE A 219 26.545 34.820 -6.800 1.00 0.00 H ATOM 992 HG21 ILE A 219 30.021 31.179 -6.304 1.00 0.00 H ATOM 993 HG22 ILE A 219 28.851 32.016 -7.354 1.00 0.00 H ATOM 994 HG23 ILE A 219 30.248 32.902 -6.694 1.00 0.00 H ATOM 995 H ILE A 219 27.178 32.259 -3.039 1.00 0.00 H ATOM 996 N GLU A 220 28.849 29.949 -3.473 1.00 23.90 N ATOM 997 CA GLU A 220 29.552 28.728 -3.099 1.00 24.38 C ATOM 998 C GLU A 220 29.487 28.435 -1.615 1.00 24.33 C ATOM 999 O GLU A 220 29.276 29.335 -0.785 1.00 21.91 O ATOM 1000 CB GLU A 220 31.019 28.757 -3.600 1.00 27.05 C ATOM 1001 CG GLU A 220 31.928 29.828 -3.031 1.00 31.31 C ATOM 1002 CD GLU A 220 33.346 29.801 -3.634 1.00 30.87 C ATOM 1003 OE1 GLU A 220 34.330 29.715 -2.869 1.00 32.62 O ATOM 1004 OE2 GLU A 220 33.494 29.850 -4.873 1.00 30.50 O ATOM 1005 HA GLU A 220 29.031 27.908 -3.594 1.00 0.00 H ATOM 1006 HB2 GLU A 220 31.465 27.790 -3.365 1.00 0.00 H ATOM 1007 HB3 GLU A 220 30.993 28.890 -4.682 1.00 0.00 H ATOM 1008 HG2 GLU A 220 31.484 30.803 -3.232 1.00 0.00 H ATOM 1009 HG3 GLU A 220 32.006 29.681 -1.954 1.00 0.00 H ATOM 1010 H GLU A 220 28.727 30.708 -2.773 1.00 0.00 H ATOM 1011 N VAL A 221 29.643 27.156 -1.294 1.00 22.01 N ATOM 1012 CA VAL A 221 29.597 26.688 0.075 1.00 22.37 C ATOM 1013 C VAL A 221 30.922 26.030 0.385 1.00 23.03 C ATOM 1014 O VAL A 221 31.253 24.986 -0.190 1.00 21.59 O ATOM 1015 CB VAL A 221 28.476 25.664 0.265 1.00 24.75 C ATOM 1016 CG1 VAL A 221 28.542 25.078 1.663 1.00 22.24 C ATOM 1017 CG2 VAL A 221 27.116 26.335 0.016 1.00 23.09 C ATOM 1018 HA VAL A 221 29.407 27.531 0.740 1.00 0.00 H ATOM 1019 HB VAL A 221 28.599 24.852 -0.452 1.00 0.00 H ATOM 1020 HG11 VAL A 221 29.505 24.588 1.805 1.00 0.00 H ATOM 1021 HG12 VAL A 221 28.428 25.877 2.396 1.00 0.00 H ATOM 1022 HG13 VAL A 221 27.740 24.350 1.789 1.00 0.00 H ATOM 1023 HG21 VAL A 221 26.982 27.154 0.722 1.00 0.00 H ATOM 1024 HG22 VAL A 221 27.084 26.722 -1.002 1.00 0.00 H ATOM 1025 HG23 VAL A 221 26.320 25.602 0.152 1.00 0.00 H ATOM 1026 H VAL A 221 29.804 26.465 -2.054 1.00 0.00 H ATOM 1027 N ASN A 222 31.674 26.652 1.290 1.00 21.27 N ATOM 1028 CA ASN A 222 32.977 26.158 1.679 1.00 21.19 C ATOM 1029 C ASN A 222 33.866 25.808 0.488 1.00 20.60 C ATOM 1030 O ASN A 222 34.449 24.717 0.416 1.00 18.23 O ATOM 1031 CB ASN A 222 32.817 24.962 2.612 1.00 23.94 C ATOM 1032 CG ASN A 222 32.461 25.386 4.030 1.00 28.12 C ATOM 1033 OD1 ASN A 222 31.344 25.826 4.309 1.00 30.16 O ATOM 1034 ND2 ASN A 222 33.422 25.267 4.928 1.00 29.19 N ATOM 1035 HA ASN A 222 33.486 26.966 2.205 1.00 0.00 H ATOM 1036 HB2 ASN A 222 32.025 24.319 2.228 1.00 0.00 H ATOM 1037 HB3 ASN A 222 33.754 24.406 2.636 1.00 0.00 H ATOM 1038 HD22 ASN A 222 34.351 24.891 4.649 1.00 0.00 H ATOM 1039 HD21 ASN A 222 33.250 25.550 5.914 1.00 0.00 H ATOM 1040 H ASN A 222 31.313 27.522 1.732 1.00 0.00 H ATOM 1041 N GLY A 223 33.938 26.740 -0.454 1.00 18.25 N ATOM 1042 CA GLY A 223 34.790 26.571 -1.609 1.00 19.88 C ATOM 1043 C GLY A 223 34.175 25.875 -2.800 1.00 18.29 C ATOM 1044 O GLY A 223 34.756 25.919 -3.877 1.00 21.33 O ATOM 1045 HA3 GLY A 223 35.660 25.992 -1.298 1.00 0.00 H ATOM 1046 HA2 GLY A 223 35.111 27.561 -1.932 1.00 0.00 H ATOM 1047 H GLY A 223 33.371 27.607 -0.359 1.00 0.00 H ATOM 1048 N ILE A 224 33.006 25.264 -2.620 1.00 19.10 N ATOM 1049 CA ILE A 224 32.345 24.516 -3.678 1.00 17.65 C ATOM 1050 C ILE A 224 31.176 25.321 -4.251 1.00 20.76 C ATOM 1051 O ILE A 224 30.278 25.729 -3.521 1.00 17.57 O ATOM 1052 CB ILE A 224 31.800 23.173 -3.131 1.00 17.59 C ATOM 1053 CG1 ILE A 224 32.916 22.388 -2.404 1.00 16.13 C ATOM 1054 CG2 ILE A 224 31.209 22.352 -4.283 1.00 17.30 C ATOM 1055 CD1 ILE A 224 34.015 21.867 -3.333 1.00 16.76 C ATOM 1056 HA ILE A 224 33.078 24.324 -4.461 1.00 0.00 H ATOM 1057 HB ILE A 224 31.012 23.375 -2.405 1.00 0.00 H ATOM 1058 HG12 ILE A 224 33.374 23.046 -1.666 1.00 0.00 H ATOM 1059 HG13 ILE A 224 32.462 21.536 -1.897 1.00 0.00 H ATOM 1060 HD11 ILE A 224 33.577 21.196 -4.072 1.00 0.00 H ATOM 1061 HD12 ILE A 224 34.489 22.707 -3.840 1.00 0.00 H ATOM 1062 HD13 ILE A 224 34.759 21.328 -2.747 1.00 0.00 H ATOM 1063 HG21 ILE A 224 30.397 22.912 -4.747 1.00 0.00 H ATOM 1064 HG22 ILE A 224 31.985 22.155 -5.023 1.00 0.00 H ATOM 1065 HG23 ILE A 224 30.826 21.408 -3.896 1.00 0.00 H ATOM 1066 H ILE A 224 32.548 25.324 -1.688 1.00 0.00 H ATOM 1067 N GLU A 225 31.191 25.541 -5.560 1.00 19.45 N ATOM 1068 CA GLU A 225 30.126 26.295 -6.213 1.00 23.32 C ATOM 1069 C GLU A 225 28.814 25.528 -6.203 1.00 22.52 C ATOM 1070 O GLU A 225 28.811 24.301 -6.321 1.00 20.78 O ATOM 1071 CB GLU A 225 30.518 26.607 -7.655 1.00 27.95 C ATOM 1072 CG GLU A 225 31.582 27.676 -7.761 1.00 35.09 C ATOM 1073 CD GLU A 225 32.768 27.247 -8.593 1.00 40.38 C ATOM 1074 OE1 GLU A 225 33.416 26.238 -8.240 1.00 43.27 O ATOM 1075 OE2 GLU A 225 33.054 27.928 -9.600 1.00 42.73 O ATOM 1076 HA GLU A 225 29.986 27.222 -5.657 1.00 0.00 H ATOM 1077 HB2 GLU A 225 30.895 25.695 -8.118 1.00 0.00 H ATOM 1078 HB3 GLU A 225 29.631 26.945 -8.191 1.00 0.00 H ATOM 1079 HG2 GLU A 225 31.140 28.562 -8.216 1.00 0.00 H ATOM 1080 HG3 GLU A 225 31.931 27.920 -6.758 1.00 0.00 H ATOM 1081 H GLU A 225 31.977 25.169 -6.131 1.00 0.00 H ATOM 1082 N VAL A 226 27.703 26.249 -6.054 1.00 21.29 N ATOM 1083 CA VAL A 226 26.389 25.612 -6.033 1.00 23.01 C ATOM 1084 C VAL A 226 25.746 25.541 -7.421 1.00 23.84 C ATOM 1085 O VAL A 226 24.674 24.953 -7.588 1.00 21.87 O ATOM 1086 CB VAL A 226 25.410 26.351 -5.070 1.00 23.40 C ATOM 1087 CG1 VAL A 226 25.995 26.385 -3.662 1.00 22.05 C ATOM 1088 CG2 VAL A 226 25.122 27.759 -5.581 1.00 23.31 C ATOM 1089 HA VAL A 226 26.563 24.597 -5.677 1.00 0.00 H ATOM 1090 HB VAL A 226 24.465 25.809 -5.036 1.00 0.00 H ATOM 1091 HG11 VAL A 226 26.147 25.365 -3.308 1.00 0.00 H ATOM 1092 HG12 VAL A 226 26.949 26.911 -3.679 1.00 0.00 H ATOM 1093 HG13 VAL A 226 25.305 26.903 -2.996 1.00 0.00 H ATOM 1094 HG21 VAL A 226 26.054 28.321 -5.640 1.00 0.00 H ATOM 1095 HG22 VAL A 226 24.669 27.699 -6.571 1.00 0.00 H ATOM 1096 HG23 VAL A 226 24.437 28.260 -4.896 1.00 0.00 H ATOM 1097 H VAL A 226 27.773 27.282 -5.951 1.00 0.00 H ATOM 1098 N ALA A 227 26.402 26.132 -8.418 1.00 24.49 N ATOM 1099 CA ALA A 227 25.868 26.135 -9.783 1.00 24.02 C ATOM 1100 C ALA A 227 25.553 24.723 -10.282 1.00 25.17 C ATOM 1101 O ALA A 227 26.372 23.813 -10.164 1.00 24.14 O ATOM 1102 CB ALA A 227 26.859 26.815 -10.738 1.00 24.49 C ATOM 1103 HA ALA A 227 24.933 26.695 -9.763 1.00 0.00 H ATOM 1104 HB1 ALA A 227 27.024 27.843 -10.416 1.00 0.00 H ATOM 1105 HB2 ALA A 227 27.804 26.273 -10.725 1.00 0.00 H ATOM 1106 HB3 ALA A 227 26.450 26.810 -11.748 1.00 0.00 H ATOM 1107 H ALA A 227 27.310 26.600 -8.224 1.00 0.00 H ATOM 1108 N GLY A 228 24.357 24.550 -10.841 1.00 24.89 N ATOM 1109 CA GLY A 228 23.956 23.254 -11.362 1.00 23.53 C ATOM 1110 C GLY A 228 23.397 22.294 -10.322 1.00 22.71 C ATOM 1111 O GLY A 228 23.018 21.168 -10.646 1.00 26.44 O ATOM 1112 HA3 GLY A 228 24.828 22.788 -11.820 1.00 0.00 H ATOM 1113 HA2 GLY A 228 23.191 23.415 -12.121 1.00 0.00 H ATOM 1114 H GLY A 228 23.700 25.354 -10.906 1.00 0.00 H ATOM 1115 N LYS A 229 23.306 22.737 -9.075 1.00 20.40 N ATOM 1116 CA LYS A 229 22.788 21.886 -8.010 1.00 19.40 C ATOM 1117 C LYS A 229 21.345 22.218 -7.625 1.00 20.06 C ATOM 1118 O LYS A 229 20.877 23.326 -7.877 1.00 18.10 O ATOM 1119 CB LYS A 229 23.703 21.998 -6.787 1.00 21.48 C ATOM 1120 CG LYS A 229 25.155 21.545 -7.039 1.00 20.76 C ATOM 1121 CD LYS A 229 25.925 21.422 -5.734 1.00 22.37 C ATOM 1122 CE LYS A 229 27.403 21.167 -5.979 1.00 22.55 C ATOM 1123 NZ LYS A 229 27.570 19.984 -6.869 1.00 22.81 N ATOM 1124 HA LYS A 229 22.777 20.863 -8.385 1.00 0.00 H ATOM 1125 HB2 LYS A 229 23.720 23.040 -6.467 1.00 0.00 H ATOM 1126 HB3 LYS A 229 23.286 21.382 -5.990 1.00 0.00 H ATOM 1127 HG2 LYS A 229 25.144 20.576 -7.539 1.00 0.00 H ATOM 1128 HG3 LYS A 229 25.651 22.276 -7.677 1.00 0.00 H ATOM 1129 HD2 LYS A 229 25.814 22.347 -5.169 1.00 0.00 H ATOM 1130 HD3 LYS A 229 25.514 20.594 -5.157 1.00 0.00 H ATOM 1131 HE2 LYS A 229 27.900 20.978 -5.028 1.00 0.00 H ATOM 1132 HE3 LYS A 229 27.848 22.042 -6.452 1.00 0.00 H ATOM 1133 HZ1 LYS A 229 27.147 19.149 -6.417 1.00 0.00 H ATOM 1134 HZ2 LYS A 229 27.096 20.165 -7.777 1.00 0.00 H ATOM 1135 HZ3 LYS A 229 28.583 19.815 -7.033 1.00 0.00 H ATOM 1136 H LYS A 229 23.609 23.707 -8.853 1.00 0.00 H ATOM 1137 N THR A 230 20.634 21.263 -7.025 1.00 20.68 N ATOM 1138 CA THR A 230 19.248 21.505 -6.621 1.00 21.07 C ATOM 1139 C THR A 230 19.208 22.131 -5.226 1.00 23.00 C ATOM 1140 O THR A 230 20.201 22.114 -4.481 1.00 21.23 O ATOM 1141 CB THR A 230 18.439 20.207 -6.555 1.00 22.13 C ATOM 1142 OG1 THR A 230 18.863 19.444 -5.421 1.00 19.93 O ATOM 1143 CG2 THR A 230 18.674 19.374 -7.813 1.00 26.33 C ATOM 1144 HA THR A 230 18.816 22.170 -7.369 1.00 0.00 H ATOM 1145 HB THR A 230 17.381 20.457 -6.474 1.00 0.00 H ATOM 1146 HG1 THR A 230 18.341 18.604 -5.376 1.00 0.00 H ATOM 1147 HG23 THR A 230 18.356 19.941 -8.688 1.00 0.00 H ATOM 1148 HG21 THR A 230 19.735 19.138 -7.898 1.00 0.00 H ATOM 1149 HG22 THR A 230 18.099 18.450 -7.748 1.00 0.00 H ATOM 1150 H THR A 230 21.069 20.336 -6.842 1.00 0.00 H ATOM 1151 N LEU A 231 18.045 22.663 -4.868 1.00 21.70 N ATOM 1152 CA LEU A 231 17.863 23.271 -3.557 1.00 22.49 C ATOM 1153 C LEU A 231 18.169 22.224 -2.487 1.00 21.43 C ATOM 1154 O LEU A 231 18.799 22.522 -1.474 1.00 18.86 O ATOM 1155 CB LEU A 231 16.421 23.761 -3.398 1.00 23.65 C ATOM 1156 CG LEU A 231 16.141 24.662 -2.190 1.00 24.71 C ATOM 1157 CD1 LEU A 231 16.982 25.929 -2.313 1.00 23.00 C ATOM 1158 CD2 LEU A 231 14.650 25.021 -2.129 1.00 27.03 C ATOM 1159 HA LEU A 231 18.534 24.123 -3.452 1.00 0.00 H ATOM 1160 HB2 LEU A 231 16.158 24.319 -4.297 1.00 0.00 H ATOM 1161 HB3 LEU A 231 15.779 22.884 -3.315 1.00 0.00 H ATOM 1162 HG LEU A 231 16.404 24.135 -1.273 1.00 0.00 H ATOM 1163 HD21 LEU A 231 14.367 25.548 -3.040 1.00 0.00 H ATOM 1164 HD22 LEU A 231 14.061 24.108 -2.038 1.00 0.00 H ATOM 1165 HD23 LEU A 231 14.467 25.661 -1.266 1.00 0.00 H ATOM 1166 HD11 LEU A 231 18.038 25.661 -2.337 1.00 0.00 H ATOM 1167 HD12 LEU A 231 16.717 26.451 -3.232 1.00 0.00 H ATOM 1168 HD13 LEU A 231 16.789 26.576 -1.457 1.00 0.00 H ATOM 1169 H LEU A 231 17.249 22.645 -5.537 1.00 0.00 H ATOM 1170 N ASP A 232 17.704 21.000 -2.710 1.00 20.13 N ATOM 1171 CA ASP A 232 17.939 19.903 -1.772 1.00 24.19 C ATOM 1172 C ASP A 232 19.437 19.606 -1.589 1.00 23.09 C ATOM 1173 O ASP A 232 19.903 19.385 -0.471 1.00 24.81 O ATOM 1174 CB ASP A 232 17.219 18.626 -2.248 1.00 26.31 C ATOM 1175 CG ASP A 232 15.727 18.616 -1.904 1.00 32.22 C ATOM 1176 OD1 ASP A 232 15.078 19.681 -1.953 1.00 36.56 O ATOM 1177 OD2 ASP A 232 15.186 17.532 -1.598 1.00 34.32 O ATOM 1178 HA ASP A 232 17.538 20.218 -0.809 1.00 0.00 H ATOM 1179 HB2 ASP A 232 17.327 18.549 -3.330 1.00 0.00 H ATOM 1180 HB3 ASP A 232 17.690 17.764 -1.775 1.00 0.00 H ATOM 1181 H ASP A 232 17.158 20.817 -3.576 1.00 0.00 H ATOM 1182 N GLN A 233 20.192 19.580 -2.684 1.00 19.88 N ATOM 1183 CA GLN A 233 21.630 19.306 -2.596 1.00 20.16 C ATOM 1184 C GLN A 233 22.389 20.421 -1.868 1.00 19.32 C ATOM 1185 O GLN A 233 23.247 20.149 -1.023 1.00 18.59 O ATOM 1186 CB GLN A 233 22.217 19.121 -3.988 1.00 19.51 C ATOM 1187 CG GLN A 233 21.812 17.790 -4.634 1.00 20.97 C ATOM 1188 CD GLN A 233 22.222 17.682 -6.093 1.00 22.06 C ATOM 1189 OE1 GLN A 233 22.354 16.577 -6.632 1.00 26.16 O ATOM 1190 NE2 GLN A 233 22.406 18.821 -6.744 1.00 17.78 N ATOM 1191 HA GLN A 233 21.745 18.389 -2.018 1.00 0.00 H ATOM 1192 HB2 GLN A 233 21.870 19.936 -4.623 1.00 0.00 H ATOM 1193 HB3 GLN A 233 23.304 19.156 -3.915 1.00 0.00 H ATOM 1194 HG2 GLN A 233 22.284 16.978 -4.080 1.00 0.00 H ATOM 1195 HG3 GLN A 233 20.729 17.689 -4.570 1.00 0.00 H ATOM 1196 HE22 GLN A 233 22.284 19.728 -6.250 1.00 0.00 H ATOM 1197 HE21 GLN A 233 22.673 18.808 -7.749 1.00 0.00 H ATOM 1198 H GLN A 233 19.758 19.756 -3.612 1.00 0.00 H ATOM 1199 N VAL A 234 22.064 21.674 -2.177 1.00 18.75 N ATOM 1200 CA VAL A 234 22.738 22.801 -1.532 1.00 18.09 C ATOM 1201 C VAL A 234 22.405 22.825 -0.034 1.00 19.59 C ATOM 1202 O VAL A 234 23.265 23.136 0.797 1.00 18.55 O ATOM 1203 CB VAL A 234 22.337 24.145 -2.193 1.00 19.55 C ATOM 1204 CG1 VAL A 234 22.968 25.319 -1.454 1.00 14.36 C ATOM 1205 CG2 VAL A 234 22.810 24.148 -3.634 1.00 18.15 C ATOM 1206 HA VAL A 234 23.813 22.672 -1.657 1.00 0.00 H ATOM 1207 HB VAL A 234 21.253 24.249 -2.150 1.00 0.00 H ATOM 1208 HG11 VAL A 234 22.628 25.320 -0.418 1.00 0.00 H ATOM 1209 HG12 VAL A 234 24.053 25.223 -1.481 1.00 0.00 H ATOM 1210 HG13 VAL A 234 22.673 26.251 -1.936 1.00 0.00 H ATOM 1211 HG21 VAL A 234 23.894 24.034 -3.660 1.00 0.00 H ATOM 1212 HG22 VAL A 234 22.344 23.321 -4.170 1.00 0.00 H ATOM 1213 HG23 VAL A 234 22.531 25.091 -4.105 1.00 0.00 H ATOM 1214 H VAL A 234 21.323 21.854 -2.884 1.00 0.00 H ATOM 1215 N THR A 235 21.158 22.502 0.310 1.00 18.41 N ATOM 1216 CA THR A 235 20.760 22.477 1.713 1.00 19.92 C ATOM 1217 C THR A 235 21.645 21.461 2.449 1.00 21.71 C ATOM 1218 O THR A 235 22.170 21.751 3.530 1.00 21.63 O ATOM 1219 CB THR A 235 19.276 22.103 1.856 1.00 19.38 C ATOM 1220 OG1 THR A 235 18.481 23.126 1.244 1.00 23.51 O ATOM 1221 CG2 THR A 235 18.884 21.970 3.330 1.00 18.45 C ATOM 1222 HA THR A 235 20.890 23.468 2.148 1.00 0.00 H ATOM 1223 HB THR A 235 19.106 21.143 1.368 1.00 0.00 H ATOM 1224 HG1 THR A 235 18.719 23.198 0.286 1.00 0.00 H ATOM 1225 HG23 THR A 235 19.488 21.192 3.797 1.00 0.00 H ATOM 1226 HG21 THR A 235 19.056 22.919 3.838 1.00 0.00 H ATOM 1227 HG22 THR A 235 17.829 21.705 3.402 1.00 0.00 H ATOM 1228 H THR A 235 20.464 22.266 -0.428 1.00 0.00 H ATOM 1229 N ASP A 236 21.817 20.278 1.860 1.00 21.23 N ATOM 1230 CA ASP A 236 22.653 19.241 2.468 1.00 22.57 C ATOM 1231 C ASP A 236 24.123 19.668 2.605 1.00 23.64 C ATOM 1232 O ASP A 236 24.798 19.299 3.561 1.00 22.99 O ATOM 1233 CB ASP A 236 22.543 17.936 1.662 1.00 22.75 C ATOM 1234 CG ASP A 236 21.152 17.288 1.772 1.00 26.70 C ATOM 1235 OD1 ASP A 236 20.296 17.850 2.479 1.00 25.83 O ATOM 1236 OD2 ASP A 236 20.902 16.239 1.126 1.00 27.31 O ATOM 1237 HA ASP A 236 22.280 19.078 3.479 1.00 0.00 H ATOM 1238 HB2 ASP A 236 22.744 18.155 0.613 1.00 0.00 H ATOM 1239 HB3 ASP A 236 23.287 17.232 2.034 1.00 0.00 H ATOM 1240 H ASP A 236 21.349 20.088 0.951 1.00 0.00 H ATOM 1241 N MET A 237 24.605 20.451 1.646 1.00 22.59 N ATOM 1242 CA MET A 237 25.976 20.950 1.659 1.00 22.99 C ATOM 1243 C MET A 237 26.230 21.865 2.845 1.00 25.66 C ATOM 1244 O MET A 237 27.296 21.839 3.443 1.00 24.21 O ATOM 1245 CB MET A 237 26.272 21.726 0.373 1.00 20.29 C ATOM 1246 CG MET A 237 26.402 20.858 -0.879 1.00 21.95 C ATOM 1247 SD MET A 237 26.528 21.826 -2.393 1.00 23.89 S ATOM 1248 CE MET A 237 28.195 22.485 -2.241 1.00 17.96 C ATOM 1249 HA MET A 237 26.631 20.082 1.736 1.00 0.00 H ATOM 1250 HB2 MET A 237 25.462 22.438 0.211 1.00 0.00 H ATOM 1251 HB3 MET A 237 27.208 22.268 0.510 1.00 0.00 H ATOM 1252 HG2 MET A 237 25.525 20.215 -0.949 1.00 0.00 H ATOM 1253 HG3 MET A 237 27.296 20.242 -0.784 1.00 0.00 H ATOM 1254 HE1 MET A 237 28.266 23.085 -1.333 1.00 0.00 H ATOM 1255 HE2 MET A 237 28.907 21.661 -2.190 1.00 0.00 H ATOM 1256 HE3 MET A 237 28.419 23.107 -3.107 1.00 0.00 H ATOM 1257 H MET A 237 23.982 20.718 0.857 1.00 0.00 H ATOM 1258 N MET A 238 25.236 22.675 3.175 1.00 27.04 N ATOM 1259 CA MET A 238 25.356 23.619 4.274 1.00 30.64 C ATOM 1260 C MET A 238 25.246 23.034 5.672 1.00 32.37 C ATOM 1261 O MET A 238 26.024 23.379 6.549 1.00 32.22 O ATOM 1262 CB MET A 238 24.330 24.735 4.108 1.00 28.24 C ATOM 1263 CG MET A 238 24.805 25.827 3.170 1.00 33.03 C ATOM 1264 SD MET A 238 23.520 26.968 2.661 1.00 32.50 S ATOM 1265 CE MET A 238 24.282 27.750 1.262 1.00 34.67 C ATOM 1266 HA MET A 238 26.378 23.993 4.206 1.00 0.00 H ATOM 1267 HB2 MET A 238 23.410 24.308 3.710 1.00 0.00 H ATOM 1268 HB3 MET A 238 24.131 25.175 5.085 1.00 0.00 H ATOM 1269 HG2 MET A 238 25.218 25.356 2.278 1.00 0.00 H ATOM 1270 HG3 MET A 238 25.587 26.395 3.674 1.00 0.00 H ATOM 1271 HE1 MET A 238 25.200 28.245 1.579 1.00 0.00 H ATOM 1272 HE2 MET A 238 24.516 26.997 0.509 1.00 0.00 H ATOM 1273 HE3 MET A 238 23.597 28.486 0.841 1.00 0.00 H ATOM 1274 H MET A 238 24.348 22.635 2.635 1.00 0.00 H ATOM 1275 N VAL A 239 24.285 22.147 5.884 1.00 36.39 N ATOM 1276 CA VAL A 239 24.105 21.547 7.199 1.00 41.89 C ATOM 1277 C VAL A 239 25.319 20.697 7.581 1.00 44.38 C ATOM 1278 O VAL A 239 25.578 20.461 8.760 1.00 44.92 O ATOM 1279 CB VAL A 239 22.827 20.689 7.231 1.00 42.43 C ATOM 1280 CG1 VAL A 239 21.620 21.562 6.871 1.00 43.14 C ATOM 1281 CG2 VAL A 239 22.946 19.538 6.260 1.00 42.73 C ATOM 1282 HA VAL A 239 24.005 22.353 7.926 1.00 0.00 H ATOM 1283 HB VAL A 239 22.692 20.282 8.233 1.00 0.00 H ATOM 1284 HG11 VAL A 239 21.533 22.374 7.593 1.00 0.00 H ATOM 1285 HG12 VAL A 239 21.757 21.975 5.872 1.00 0.00 H ATOM 1286 HG13 VAL A 239 20.715 20.955 6.893 1.00 0.00 H ATOM 1287 HG21 VAL A 239 23.089 19.928 5.252 1.00 0.00 H ATOM 1288 HG22 VAL A 239 23.799 18.918 6.536 1.00 0.00 H ATOM 1289 HG23 VAL A 239 22.035 18.940 6.294 1.00 0.00 H ATOM 1290 H VAL A 239 23.653 21.876 5.104 1.00 0.00 H ATOM 1291 N ALA A 240 26.072 20.264 6.575 1.00 47.68 N ATOM 1292 CA ALA A 240 27.261 19.451 6.799 1.00 50.28 C ATOM 1293 C ALA A 240 28.417 20.280 7.355 1.00 52.79 C ATOM 1294 O ALA A 240 29.273 19.758 8.060 1.00 53.31 O ATOM 1295 CB ALA A 240 27.682 18.783 5.499 1.00 48.75 C ATOM 1296 HA ALA A 240 27.011 18.691 7.539 1.00 0.00 H ATOM 1297 HB1 ALA A 240 26.873 18.147 5.140 1.00 0.00 H ATOM 1298 HB2 ALA A 240 27.903 19.547 4.754 1.00 0.00 H ATOM 1299 HB3 ALA A 240 28.571 18.177 5.675 1.00 0.00 H ATOM 1300 H ALA A 240 25.805 20.512 5.601 1.00 0.00 H ATOM 1301 N ASN A 241 28.434 21.571 7.033 1.00 56.01 N ATOM 1302 CA ASN A 241 29.489 22.469 7.497 1.00 59.08 C ATOM 1303 C ASN A 241 28.962 23.452 8.543 1.00 60.22 C ATOM 1304 O ASN A 241 29.535 24.526 8.738 1.00 61.12 O ATOM 1305 CB ASN A 241 30.065 23.263 6.320 1.00 60.78 C ATOM 1306 CG ASN A 241 30.517 22.375 5.177 1.00 62.73 C ATOM 1307 OD1 ASN A 241 31.304 21.447 5.366 1.00 63.17 O ATOM 1308 ND2 ASN A 241 30.022 22.661 3.978 1.00 62.45 N ATOM 1309 HA ASN A 241 30.267 21.854 7.949 1.00 0.00 H ATOM 1310 HB2 ASN A 241 29.298 23.944 5.950 1.00 0.00 H ATOM 1311 HB3 ASN A 241 30.920 23.839 6.673 1.00 0.00 H ATOM 1312 HD22 ASN A 241 29.360 23.455 3.865 1.00 0.00 H ATOM 1313 HD21 ASN A 241 30.297 22.091 3.153 1.00 0.00 H ATOM 1314 H ASN A 241 27.674 21.952 6.434 1.00 0.00 H ATOM 1315 N SER A 242 27.871 23.082 9.207 1.00 60.58 N ATOM 1316 CA SER A 242 27.263 23.932 10.225 1.00 61.31 C ATOM 1317 C SER A 242 28.267 24.429 11.263 1.00 61.10 C ATOM 1318 O SER A 242 28.279 25.615 11.603 1.00 61.56 O ATOM 1319 CB SER A 242 26.135 23.177 10.928 1.00 61.57 C ATOM 1320 OG SER A 242 25.113 22.838 10.010 1.00 62.23 O ATOM 1321 HA SER A 242 26.871 24.809 9.709 1.00 0.00 H ATOM 1322 HB2 SER A 242 25.717 23.807 11.713 1.00 0.00 H ATOM 1323 HB3 SER A 242 26.536 22.265 11.371 1.00 0.00 H ATOM 1324 HG SER A 242 25.489 22.263 9.297 1.00 0.00 H ATOM 1325 H SER A 242 27.439 22.160 8.995 1.00 0.00 H ATOM 1326 N SER A 243 29.102 23.520 11.763 1.00 60.83 N ATOM 1327 CA SER A 243 30.111 23.862 12.766 1.00 60.26 C ATOM 1328 C SER A 243 30.879 25.122 12.374 1.00 59.02 C ATOM 1329 O SER A 243 30.935 26.091 13.135 1.00 59.39 O ATOM 1330 CB SER A 243 31.084 22.696 12.944 1.00 60.75 C ATOM 1331 OG SER A 243 31.619 22.288 11.695 1.00 61.59 O ATOM 1332 HA SER A 243 29.598 24.057 13.708 1.00 0.00 H ATOM 1333 HB2 SER A 243 30.557 21.857 13.398 1.00 0.00 H ATOM 1334 HB3 SER A 243 31.899 23.008 13.597 1.00 0.00 H ATOM 1335 HG SER A 243 32.102 23.046 11.281 1.00 0.00 H ATOM 1336 H SER A 243 29.035 22.537 11.430 1.00 0.00 H ATOM 1337 N ASN A 244 31.471 25.098 11.185 1.00 57.01 N ATOM 1338 CA ASN A 244 32.221 26.236 10.671 1.00 54.60 C ATOM 1339 C ASN A 244 31.913 26.385 9.187 1.00 50.90 C ATOM 1340 O ASN A 244 32.654 25.903 8.328 1.00 50.78 O ATOM 1341 CB ASN A 244 33.724 26.039 10.892 1.00 57.89 C ATOM 1342 CG ASN A 244 34.227 24.700 10.371 1.00 61.04 C ATOM 1343 OD1 ASN A 244 33.878 23.638 10.897 1.00 62.98 O ATOM 1344 ND2 ASN A 244 35.054 24.747 9.333 1.00 62.28 N ATOM 1345 HA ASN A 244 31.927 27.141 11.203 1.00 0.00 H ATOM 1346 HB2 ASN A 244 34.259 26.837 10.377 1.00 0.00 H ATOM 1347 HB3 ASN A 244 33.929 26.096 11.961 1.00 0.00 H ATOM 1348 HD22 ASN A 244 35.321 25.664 8.922 1.00 0.00 H ATOM 1349 HD21 ASN A 244 35.435 23.867 8.931 1.00 0.00 H ATOM 1350 H ASN A 244 31.397 24.240 10.603 1.00 0.00 H ATOM 1351 N LEU A 245 30.802 27.052 8.897 1.00 45.59 N ATOM 1352 CA LEU A 245 30.365 27.265 7.527 1.00 39.36 C ATOM 1353 C LEU A 245 30.926 28.542 6.921 1.00 36.38 C ATOM 1354 O LEU A 245 30.963 29.587 7.574 1.00 33.72 O ATOM 1355 CB LEU A 245 28.842 27.336 7.469 1.00 39.85 C ATOM 1356 CG LEU A 245 28.289 27.568 6.063 1.00 39.37 C ATOM 1357 CD1 LEU A 245 28.365 26.269 5.286 1.00 35.99 C ATOM 1358 CD2 LEU A 245 26.854 28.058 6.130 1.00 39.84 C ATOM 1359 HA LEU A 245 30.740 26.420 6.949 1.00 0.00 H ATOM 1360 HB2 LEU A 245 28.439 26.396 7.846 1.00 0.00 H ATOM 1361 HB3 LEU A 245 28.511 28.154 8.108 1.00 0.00 H ATOM 1362 HG LEU A 245 28.883 28.332 5.561 1.00 0.00 H ATOM 1363 HD21 LEU A 245 26.240 27.312 6.634 1.00 0.00 H ATOM 1364 HD22 LEU A 245 26.817 28.996 6.685 1.00 0.00 H ATOM 1365 HD23 LEU A 245 26.478 28.217 5.119 1.00 0.00 H ATOM 1366 HD11 LEU A 245 29.404 25.944 5.225 1.00 0.00 H ATOM 1367 HD12 LEU A 245 27.773 25.508 5.795 1.00 0.00 H ATOM 1368 HD13 LEU A 245 27.972 26.425 4.281 1.00 0.00 H ATOM 1369 H LEU A 245 30.226 27.434 9.674 1.00 0.00 H ATOM 1370 N ILE A 246 31.349 28.453 5.663 1.00 31.30 N ATOM 1371 CA ILE A 246 31.868 29.607 4.953 1.00 28.28 C ATOM 1372 C ILE A 246 31.037 29.713 3.685 1.00 27.90 C ATOM 1373 O ILE A 246 31.062 28.814 2.844 1.00 26.31 O ATOM 1374 CB ILE A 246 33.343 29.420 4.574 1.00 30.33 C ATOM 1375 CG1 ILE A 246 34.170 29.202 5.841 1.00 29.86 C ATOM 1376 CG2 ILE A 246 33.837 30.635 3.790 1.00 29.78 C ATOM 1377 CD1 ILE A 246 35.663 29.001 5.575 1.00 32.55 C ATOM 1378 HA ILE A 246 31.808 30.499 5.576 1.00 0.00 H ATOM 1379 HB ILE A 246 33.453 28.543 3.936 1.00 0.00 H ATOM 1380 HG12 ILE A 246 34.049 30.073 6.485 1.00 0.00 H ATOM 1381 HG13 ILE A 246 33.789 28.318 6.353 1.00 0.00 H ATOM 1382 HD11 ILE A 246 35.803 28.125 4.941 1.00 0.00 H ATOM 1383 HD12 ILE A 246 36.063 29.882 5.074 1.00 0.00 H ATOM 1384 HD13 ILE A 246 36.183 28.853 6.522 1.00 0.00 H ATOM 1385 HG21 ILE A 246 33.243 30.746 2.883 1.00 0.00 H ATOM 1386 HG22 ILE A 246 33.734 31.529 4.405 1.00 0.00 H ATOM 1387 HG23 ILE A 246 34.885 30.493 3.525 1.00 0.00 H ATOM 1388 H ILE A 246 31.307 27.535 5.177 1.00 0.00 H ATOM 1389 N ILE A 247 30.296 30.804 3.539 1.00 26.41 N ATOM 1390 CA ILE A 247 29.469 30.964 2.355 1.00 27.04 C ATOM 1391 C ILE A 247 29.836 32.195 1.541 1.00 28.66 C ATOM 1392 O ILE A 247 30.037 33.286 2.079 1.00 29.02 O ATOM 1393 CB ILE A 247 27.971 31.001 2.741 1.00 28.29 C ATOM 1394 CG1 ILE A 247 27.115 31.348 1.525 1.00 31.95 C ATOM 1395 CG2 ILE A 247 27.739 31.988 3.878 1.00 29.67 C ATOM 1396 CD1 ILE A 247 25.614 31.408 1.846 1.00 34.54 C ATOM 1397 HA ILE A 247 29.658 30.098 1.721 1.00 0.00 H ATOM 1398 HB ILE A 247 27.674 30.012 3.089 1.00 0.00 H ATOM 1399 HG12 ILE A 247 27.429 32.320 1.145 1.00 0.00 H ATOM 1400 HG13 ILE A 247 27.277 30.590 0.758 1.00 0.00 H ATOM 1401 HD11 ILE A 247 25.284 30.438 2.218 1.00 0.00 H ATOM 1402 HD12 ILE A 247 25.436 32.170 2.605 1.00 0.00 H ATOM 1403 HD13 ILE A 247 25.060 31.659 0.941 1.00 0.00 H ATOM 1404 HG21 ILE A 247 28.322 31.683 4.747 1.00 0.00 H ATOM 1405 HG22 ILE A 247 28.049 32.984 3.562 1.00 0.00 H ATOM 1406 HG23 ILE A 247 26.680 32.001 4.136 1.00 0.00 H ATOM 1407 H ILE A 247 30.307 31.543 4.271 1.00 0.00 H ATOM 1408 N THR A 248 29.950 32.000 0.234 1.00 29.34 N ATOM 1409 CA THR A 248 30.278 33.089 -0.673 1.00 30.80 C ATOM 1410 C THR A 248 28.970 33.519 -1.311 1.00 32.08 C ATOM 1411 O THR A 248 28.266 32.702 -1.922 1.00 29.15 O ATOM 1412 CB THR A 248 31.242 32.629 -1.776 1.00 32.32 C ATOM 1413 OG1 THR A 248 32.377 31.986 -1.179 1.00 35.29 O ATOM 1414 CG2 THR A 248 31.707 33.817 -2.606 1.00 33.71 C ATOM 1415 HA THR A 248 30.764 33.898 -0.128 1.00 0.00 H ATOM 1416 HB THR A 248 30.722 31.928 -2.429 1.00 0.00 H ATOM 1417 HG1 THR A 248 32.999 31.689 -1.890 1.00 0.00 H ATOM 1418 HG23 THR A 248 30.843 34.303 -3.058 1.00 0.00 H ATOM 1419 HG21 THR A 248 32.229 34.526 -1.963 1.00 0.00 H ATOM 1420 HG22 THR A 248 32.381 33.470 -3.389 1.00 0.00 H ATOM 1421 H THR A 248 29.801 31.046 -0.152 1.00 0.00 H ATOM 1422 N VAL A 249 28.638 34.794 -1.159 1.00 33.00 N ATOM 1423 CA VAL A 249 27.405 35.310 -1.709 1.00 35.37 C ATOM 1424 C VAL A 249 27.652 36.547 -2.554 1.00 37.21 C ATOM 1425 O VAL A 249 28.759 37.088 -2.585 1.00 35.53 O ATOM 1426 CB VAL A 249 26.411 35.691 -0.591 1.00 36.57 C ATOM 1427 CG1 VAL A 249 26.212 34.524 0.355 1.00 37.33 C ATOM 1428 CG2 VAL A 249 26.911 36.915 0.164 1.00 37.59 C ATOM 1429 HA VAL A 249 26.986 34.516 -2.327 1.00 0.00 H ATOM 1430 HB VAL A 249 25.450 35.934 -1.044 1.00 0.00 H ATOM 1431 HG11 VAL A 249 25.817 33.672 -0.199 1.00 0.00 H ATOM 1432 HG12 VAL A 249 27.168 34.255 0.804 1.00 0.00 H ATOM 1433 HG13 VAL A 249 25.509 34.808 1.138 1.00 0.00 H ATOM 1434 HG21 VAL A 249 27.881 36.695 0.609 1.00 0.00 H ATOM 1435 HG22 VAL A 249 27.009 37.752 -0.527 1.00 0.00 H ATOM 1436 HG23 VAL A 249 26.200 37.172 0.949 1.00 0.00 H ATOM 1437 H VAL A 249 29.273 35.431 -0.637 1.00 0.00 H ATOM 1438 N LYS A 250 26.606 36.970 -3.252 1.00 37.35 N ATOM 1439 CA LYS A 250 26.647 38.166 -4.077 1.00 40.27 C ATOM 1440 C LYS A 250 25.519 39.019 -3.527 1.00 41.28 C ATOM 1441 O LYS A 250 24.345 38.730 -3.755 1.00 39.93 O ATOM 1442 CB LYS A 250 26.401 37.831 -5.552 1.00 40.65 C ATOM 1443 CG LYS A 250 26.498 39.049 -6.475 1.00 44.77 C ATOM 1444 CD LYS A 250 26.575 38.647 -7.943 1.00 47.45 C ATOM 1445 CE LYS A 250 26.724 39.874 -8.842 1.00 51.03 C ATOM 1446 NZ LYS A 250 26.880 39.510 -10.281 1.00 51.47 N ATOM 1447 HA LYS A 250 27.616 38.664 -4.043 1.00 0.00 H ATOM 1448 HB2 LYS A 250 27.142 37.097 -5.868 1.00 0.00 H ATOM 1449 HB3 LYS A 250 25.403 37.403 -5.648 1.00 0.00 H ATOM 1450 HG2 LYS A 250 25.618 39.675 -6.327 1.00 0.00 H ATOM 1451 HG3 LYS A 250 27.393 39.616 -6.217 1.00 0.00 H ATOM 1452 HD2 LYS A 250 27.434 37.992 -8.089 1.00 0.00 H ATOM 1453 HD3 LYS A 250 25.664 38.115 -8.215 1.00 0.00 H ATOM 1454 HE2 LYS A 250 27.603 40.435 -8.525 1.00 0.00 H ATOM 1455 HE3 LYS A 250 25.837 40.498 -8.733 1.00 0.00 H ATOM 1456 HZ1 LYS A 250 27.729 38.921 -10.398 1.00 0.00 H ATOM 1457 HZ2 LYS A 250 26.042 38.980 -10.596 1.00 0.00 H ATOM 1458 HZ3 LYS A 250 26.977 40.376 -10.848 1.00 0.00 H ATOM 1459 H LYS A 250 25.722 36.424 -3.207 1.00 0.00 H ATOM 1460 N PRO A 251 25.865 40.065 -2.760 1.00 43.68 N ATOM 1461 CA PRO A 251 24.889 40.975 -2.155 1.00 46.33 C ATOM 1462 C PRO A 251 23.815 41.435 -3.134 1.00 48.27 C ATOM 1463 O PRO A 251 24.103 41.720 -4.295 1.00 47.35 O ATOM 1464 CB PRO A 251 25.757 42.127 -1.664 1.00 46.20 C ATOM 1465 CG PRO A 251 27.013 41.430 -1.257 1.00 45.70 C ATOM 1466 CD PRO A 251 27.240 40.466 -2.407 1.00 43.95 C ATOM 1467 HA PRO A 251 24.313 40.501 -1.360 1.00 0.00 H ATOM 1468 HD3 PRO A 251 27.734 40.959 -3.244 1.00 0.00 H ATOM 1469 HD2 PRO A 251 27.833 39.607 -2.091 1.00 0.00 H ATOM 1470 HG3 PRO A 251 26.881 40.897 -0.316 1.00 0.00 H ATOM 1471 HG2 PRO A 251 27.841 42.133 -1.162 1.00 0.00 H ATOM 1472 HB2 PRO A 251 25.945 42.847 -2.461 1.00 0.00 H ATOM 1473 HB3 PRO A 251 25.296 42.636 -0.818 1.00 0.00 H ATOM 1474 N ALA A 252 22.578 41.498 -2.654 1.00 51.72 N ATOM 1475 CA ALA A 252 21.458 41.937 -3.478 1.00 56.31 C ATOM 1476 C ALA A 252 21.468 43.459 -3.597 1.00 59.30 C ATOM 1477 O ALA A 252 21.250 44.012 -4.680 1.00 60.05 O ATOM 1478 CB ALA A 252 20.143 41.467 -2.862 1.00 56.45 C ATOM 1479 HA ALA A 252 21.555 41.504 -4.473 1.00 0.00 H ATOM 1480 HB1 ALA A 252 20.140 40.379 -2.801 1.00 0.00 H ATOM 1481 HB2 ALA A 252 20.041 41.888 -1.862 1.00 0.00 H ATOM 1482 HB3 ALA A 252 19.312 41.800 -3.484 1.00 0.00 H ATOM 1483 H ALA A 252 22.404 41.227 -1.665 1.00 0.00 H ATOM 1484 N ASN A 253 21.720 44.123 -2.472 1.00 62.74 N ATOM 1485 CA ASN A 253 21.765 45.581 -2.416 1.00 66.29 C ATOM 1486 C ASN A 253 23.185 46.019 -2.051 1.00 67.26 C ATOM 1487 O ASN A 253 23.356 46.658 -0.988 1.00 68.03 O ATOM 1488 CB ASN A 253 20.769 46.101 -1.368 1.00 67.44 C ATOM 1489 CG ASN A 253 20.608 47.612 -1.409 1.00 68.84 C ATOM 1490 OD1 ASN A 253 20.175 48.172 -2.417 1.00 70.27 O ATOM 1491 ND2 ASN A 253 20.953 48.278 -0.311 1.00 68.10 N ATOM 1492 HA ASN A 253 21.491 45.993 -3.387 1.00 0.00 H ATOM 1493 OXT ASN A 253 24.114 45.711 -2.833 1.00 68.27 O ATOM 1494 HB2 ASN A 253 19.798 45.642 -1.552 1.00 0.00 H ATOM 1495 HB3 ASN A 253 21.123 45.815 -0.378 1.00 0.00 H ATOM 1496 HD22 ASN A 253 21.314 47.763 0.517 1.00 0.00 H ATOM 1497 HD21 ASN A 253 20.862 49.314 -0.281 1.00 0.00 H ATOM 1498 H ASN A 253 21.891 43.583 -1.600 1.00 0.00 H TER 1499 ASN A 253 HETATM 1500 O HOH 1 34.894 24.876 -6.364 1.00 28.91 O HETATM 1501 O HOH 2 27.797 28.844 -8.143 1.00 20.60 O HETATM 1502 O HOH 3 23.494 30.806 -7.263 1.00 20.18 O HETATM 1503 O HOH 4 31.022 22.439 0.531 1.00 24.33 O HETATM 1504 O HOH 5 33.769 29.361 0.120 1.00 30.53 O HETATM 1505 O HOH 6 30.390 19.895 -6.792 1.00 15.68 O HETATM 1506 O HOH 7 32.464 18.747 -5.405 1.00 52.26 O HETATM 1507 O HOH 8 20.042 30.509 14.011 1.00 28.66 O HETATM 1508 O HOH 9 15.926 22.971 -6.731 1.00 29.61 O HETATM 1509 O HOH 10 18.936 34.409 11.736 1.00 24.82 O HETATM 1510 O HOH 11 16.398 28.091 -10.116 1.00 21.92 O HETATM 1511 O HOH 12 24.120 29.130 -11.397 1.00 29.97 O HETATM 1512 O HOH 13 33.983 21.937 0.997 1.00 20.95 O HETATM 1513 O HOH 14 32.378 18.732 -2.396 1.00 52.26 O HETATM 1514 O HOH 15 22.793 37.872 -8.209 1.00 35.52 O HETATM 1515 O HOH 16 17.758 30.331 15.935 1.00 24.76 O HETATM 1516 O HOH 17 12.356 25.442 -5.509 1.00 45.74 O HETATM 1517 O HOH 18 22.144 18.767 -9.871 1.00 29.97 O HETATM 1518 O HOH 19 11.769 31.758 10.797 1.00 34.50 O HETATM 1519 O HOH 20 18.043 26.843 -8.529 1.00 31.85 O HETATM 1520 O HOH 21 15.418 20.451 -4.589 1.00 32.35 O HETATM 1521 O HOH 22 9.804 27.808 9.198 1.00 46.95 O HETATM 1522 O HOH 23 13.885 37.734 6.624 1.00 35.69 O HETATM 1523 O HOH 24 17.160 41.056 4.846 1.00 38.71 O HETATM 1524 O HOH 25 19.621 23.717 -10.407 1.00 42.06 O HETATM 1525 O HOH 26 30.588 22.586 -7.691 1.00 34.69 O HETATM 1526 O HOH 27 19.938 31.613 -20.445 1.00 21.22 O HETATM 1527 O HOH 28 18.105 16.915 -5.601 1.00 36.67 O HETATM 1528 O HOH 29 15.969 32.593 16.631 1.00 45.65 O HETATM 1529 O HOH 30 25.225 29.786 -8.912 1.00 29.26 O HETATM 1530 O HOH 31 39.545 31.781 1.777 1.00 43.07 O HETATM 1531 O HOH 32 22.501 26.592 -10.949 1.00 32.01 O HETATM 1532 O HOH 33 32.363 36.639 7.981 1.00 46.26 O HETATM 1533 O HOH 34 10.882 31.722 -5.873 1.00 63.24 O HETATM 1534 O HOH 35 24.201 42.833 4.992 1.00 58.00 O HETATM 1535 O HOH 36 21.734 39.040 -5.553 1.00 55.71 O HETATM 1536 O HOH 37 24.630 17.967 -9.473 1.00 44.17 O HETATM 1537 O HOH 38 15.498 20.640 0.352 1.00 65.03 O HETATM 1538 O HOH 39 11.326 31.340 13.832 1.00 36.32 O HETATM 1539 O HOH 40 29.114 23.775 -9.655 1.00 35.98 O HETATM 1540 O HOH 41 22.649 39.223 8.683 1.00 41.28 O HETATM 1541 O HOH 42 12.428 27.651 -4.200 1.00 21.26 O HETATM 1542 O HOH 43 8.696 26.439 1.941 1.00 35.27 O HETATM 1543 O HOH 44 15.651 22.411 5.234 1.00 31.01 O HETATM 1544 O HOH 45 9.388 28.035 -5.330 1.00 53.96 O HETATM 1545 C ACE A 46 5.305 29.513 -2.953 1.00 0.18 C HETATM 1546 O ACE A 46 5.330 28.307 -2.693 1.00 -0.40 O HETATM 1547 CH3 ACE A 46 3.992 30.218 -3.298 1.00 0.03 C HETATM 1548 H1 ACE A 46 4.188 31.282 -3.495 1.00 0.05 H HETATM 1549 H2 ACE A 46 3.293 30.124 -2.454 1.00 0.05 H HETATM 1550 H3 ACE A 46 3.551 29.755 -4.193 1.00 0.05 H HETATM 1551 N ACE A 46 6.212 30.368 -2.495 1.00 -0.27 N HETATM 1552 CA ACE A 46 7.639 30.114 -2.646 1.00 0.13 C HETATM 1553 C ACE A 46 8.085 28.953 -1.758 1.00 0.20 C HETATM 1554 O ACE A 46 7.649 28.827 -0.613 1.00 -0.39 O HETATM 1555 N ACE A 46 8.949 28.102 -2.299 1.00 -0.26 N HETATM 1556 CA ACE A 46 9.474 26.965 -1.554 1.00 0.13 C HETATM 1557 C ACE A 46 10.835 27.353 -0.993 1.00 0.20 C HETATM 1558 O ACE A 46 11.744 27.683 -1.745 1.00 -0.39 O HETATM 1559 N ACE A 46 10.973 27.331 0.326 1.00 -0.26 N HETATM 1560 CA ACE A 46 12.244 27.672 0.948 1.00 0.13 C HETATM 1561 C ACE A 46 12.690 26.564 1.885 1.00 0.20 C HETATM 1562 O ACE A 46 11.874 25.790 2.378 1.00 -0.39 O HETATM 1563 N ACE A 46 13.997 26.495 2.112 1.00 -0.26 N HETATM 1564 CA ACE A 46 14.595 25.465 2.952 1.00 0.15 C HETATM 1565 C ACE A 46 15.459 26.079 4.050 1.00 0.21 C HETATM 1566 O ACE A 46 16.355 26.879 3.767 1.00 -0.39 O HETATM 1567 N ACE A 46 15.170 25.713 5.298 1.00 -0.26 N HETATM 1568 CA ACE A 46 15.899 26.237 6.449 1.00 0.13 C HETATM 1569 C ACE A 46 17.252 25.546 6.644 1.00 0.20 C HETATM 1570 O ACE A 46 17.383 24.331 6.490 1.00 -0.39 O HETATM 1571 N ACE A 46 18.256 26.337 6.981 1.00 -0.27 N HETATM 1572 CA ACE A 46 19.583 25.807 7.252 1.00 0.10 C HETATM 1573 C ACE A 46 20.038 26.463 8.558 1.00 0.06 C HETATM 1574 O ACE A 46 19.584 27.606 8.799 1.00 -0.57 O HETATM 1575 OXT ACE A 46 20.815 25.840 9.322 1.00 -0.57 O HETATM 1576 CB ACE A 46 20.566 26.133 6.100 1.00 -0.01 C HETATM 1577 CG1 ACE A 46 20.087 25.459 4.812 1.00 -0.06 C HETATM 1578 H51 ACE A 46 20.786 25.691 3.995 1.00 0.02 H HETATM 1579 H52 ACE A 46 19.085 25.831 4.554 1.00 0.02 H HETATM 1580 H53 ACE A 46 20.046 24.370 4.961 1.00 0.02 H HETATM 1581 CG2 ACE A 46 20.684 27.623 5.892 1.00 -0.06 C HETATM 1582 H54 ACE A 46 21.029 28.097 6.823 1.00 0.02 H HETATM 1583 H55 ACE A 46 19.702 28.033 5.613 1.00 0.02 H HETATM 1584 H56 ACE A 46 21.407 27.825 5.088 1.00 0.02 H HETATM 1585 H50 ACE A 46 21.558 25.736 6.361 1.00 0.03 H HETATM 1586 H49 ACE A 46 19.531 24.715 7.378 1.00 0.07 H HETATM 1587 H48 ACE A 46 18.100 27.322 7.051 1.00 0.19 H HETATM 1588 CB ACE A 46 15.074 26.042 7.719 1.00 -0.01 C HETATM 1589 CG ACE A 46 15.744 26.365 9.059 1.00 -0.04 C HETATM 1590 CD1 ACE A 46 15.982 27.869 9.141 1.00 -0.06 C HETATM 1591 H42 ACE A 46 16.463 28.112 10.100 1.00 0.02 H HETATM 1592 H43 ACE A 46 15.020 28.397 9.069 1.00 0.02 H HETATM 1593 H44 ACE A 46 16.635 28.183 8.313 1.00 0.02 H HETATM 1594 CD2 ACE A 46 14.858 25.909 10.225 1.00 -0.06 C HETATM 1595 H45 ACE A 46 14.692 24.824 10.157 1.00 0.02 H HETATM 1596 H46 ACE A 46 13.891 26.431 10.177 1.00 0.02 H HETATM 1597 H47 ACE A 46 15.355 26.145 11.177 1.00 0.02 H HETATM 1598 H41 ACE A 46 16.709 25.840 9.117 1.00 0.03 H HETATM 1599 H39 ACE A 46 14.765 24.987 7.752 1.00 0.03 H HETATM 1600 H40 ACE A 46 14.183 26.682 7.634 1.00 0.03 H HETATM 1601 H38 ACE A 46 16.071 27.312 6.291 1.00 0.08 H HETATM 1602 H37 ACE A 46 14.430 25.058 5.451 1.00 0.19 H HETATM 1603 CB ACE A 46 15.432 24.527 2.068 1.00 0.08 C HETATM 1604 OG ACE A 46 16.260 23.675 2.839 1.00 -0.39 O HETATM 1605 H36 ACE A 46 15.720 23.143 3.411 1.00 0.21 H HETATM 1606 H34 ACE A 46 16.066 25.134 1.405 1.00 0.06 H HETATM 1607 H35 ACE A 46 14.753 23.910 1.462 1.00 0.06 H HETATM 1608 H33 ACE A 46 13.790 24.884 3.426 1.00 0.08 H HETATM 1609 H32 ACE A 46 14.594 27.177 1.690 1.00 0.19 H HETATM 1610 CB ACE A 46 12.148 29.021 1.676 1.00 -0.00 C HETATM 1611 CG ACE A 46 11.180 29.068 2.831 1.00 0.00 C HETATM 1612 CD ACE A 46 10.613 30.464 3.047 1.00 0.04 C HETATM 1613 OE1 ACE A 46 11.370 31.452 2.934 1.00 -0.57 O HETATM 1614 OE2 ACE A 46 9.404 30.576 3.341 1.00 -0.57 O HETATM 1615 H30 ACE A 46 11.704 28.753 3.745 1.00 0.04 H HETATM 1616 H31 ACE A 46 10.350 28.376 2.626 1.00 0.04 H HETATM 1617 H28 ACE A 46 11.838 29.780 0.943 1.00 0.03 H HETATM 1618 H29 ACE A 46 13.148 29.270 2.061 1.00 0.03 H HETATM 1619 H27 ACE A 46 12.999 27.769 0.154 1.00 0.08 H HETATM 1620 H26 ACE A 46 10.194 27.077 0.900 1.00 0.19 H HETATM 1621 CB ACE A 46 9.627 25.751 -2.472 1.00 -0.01 C HETATM 1622 CG ACE A 46 10.330 24.554 -1.831 1.00 -0.04 C HETATM 1623 CD ACE A 46 9.464 23.877 -0.781 1.00 -0.01 C HETATM 1624 CE ACE A 46 10.144 22.621 -0.235 1.00 -0.04 C HETATM 1625 NZ ACE A 46 9.225 21.807 0.619 1.00 0.22 N HETATM 1626 H23 ACE A 46 9.713 20.992 0.956 1.00 0.20 H HETATM 1627 H24 ACE A 46 8.427 21.519 0.074 1.00 0.20 H HETATM 1628 H25 ACE A 46 8.915 22.361 1.402 1.00 0.20 H HETATM 1629 H21 ACE A 46 11.013 22.922 0.368 1.00 0.08 H HETATM 1630 H22 ACE A 46 10.480 22.004 -1.081 1.00 0.08 H HETATM 1631 H19 ACE A 46 8.502 23.596 -1.235 1.00 0.03 H HETATM 1632 H20 ACE A 46 9.288 24.579 0.047 1.00 0.03 H HETATM 1633 H17 ACE A 46 11.259 24.901 -1.355 1.00 0.03 H HETATM 1634 H18 ACE A 46 10.572 23.823 -2.616 1.00 0.03 H HETATM 1635 H15 ACE A 46 10.208 26.058 -3.354 1.00 0.03 H HETATM 1636 H16 ACE A 46 8.623 25.431 -2.788 1.00 0.03 H HETATM 1637 H14 ACE A 46 8.789 26.715 -0.730 1.00 0.08 H HETATM 1638 H13 ACE A 46 9.247 28.245 -3.243 1.00 0.19 H HETATM 1639 CB ACE A 46 8.468 31.362 -2.272 1.00 -0.01 C HETATM 1640 CG1 ACE A 46 9.939 31.124 -2.578 1.00 -0.06 C HETATM 1641 H7 ACE A 46 10.519 32.019 -2.308 1.00 0.02 H HETATM 1642 H8 ACE A 46 10.062 30.918 -3.651 1.00 0.02 H HETATM 1643 H9 ACE A 46 10.300 30.263 -1.996 1.00 0.02 H HETATM 1644 CG2 ACE A 46 7.951 32.574 -3.030 1.00 -0.06 C HETATM 1645 H10 ACE A 46 6.888 32.727 -2.795 1.00 0.02 H HETATM 1646 H11 ACE A 46 8.067 32.407 -4.111 1.00 0.02 H HETATM 1647 H12 ACE A 46 8.524 33.464 -2.733 1.00 0.02 H HETATM 1648 H6 ACE A 46 8.359 31.549 -1.194 1.00 0.03 H HETATM 1649 H5 ACE A 46 7.837 29.856 -3.697 1.00 0.08 H HETATM 1650 H4 ACE A 46 5.909 31.204 -2.037 1.00 0.19 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1545 1546 1547 1551 CONECT 1546 1545 CONECT 1547 1545 1548 1549 1550 CONECT 1548 1547 CONECT 1549 1547 CONECT 1550 1547 CONECT 1551 1545 1552 1650 CONECT 1552 1551 1553 1639 1649 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1638 CONECT 1556 1555 1557 1621 1637 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1620 CONECT 1560 1559 1561 1610 1619 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 1564 1609 CONECT 1564 1563 1565 1603 1608 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 1568 1602 CONECT 1568 1567 1569 1588 1601 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1587 CONECT 1572 1571 1573 1576 1586 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1572 1577 1581 1585 CONECT 1577 1576 1578 1579 1580 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1577 CONECT 1581 1576 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1576 CONECT 1586 1572 CONECT 1587 1571 CONECT 1588 1568 1589 1599 1600 CONECT 1589 1588 1590 1594 1598 CONECT 1590 1589 1591 1592 1593 CONECT 1591 1590 CONECT 1592 1590 CONECT 1593 1590 CONECT 1594 1589 1595 1596 1597 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1594 CONECT 1598 1589 CONECT 1599 1588 CONECT 1600 1588 CONECT 1601 1568 CONECT 1602 1567 CONECT 1603 1564 1604 1606 1607 CONECT 1604 1603 1605 CONECT 1605 1604 CONECT 1606 1603 CONECT 1607 1603 CONECT 1608 1564 CONECT 1609 1563 CONECT 1610 1560 1611 1617 1618 CONECT 1611 1610 1612 1615 1616 CONECT 1612 1611 1613 1614 CONECT 1613 1612 CONECT 1614 1612 CONECT 1615 1611 CONECT 1616 1611 CONECT 1617 1610 CONECT 1618 1610 CONECT 1619 1560 CONECT 1620 1559 CONECT 1621 1556 1622 1635 1636 CONECT 1622 1621 1623 1633 1634 CONECT 1623 1622 1624 1631 1632 CONECT 1624 1623 1625 1629 1630 CONECT 1625 1624 1626 1627 1628 CONECT 1626 1625 CONECT 1627 1625 CONECT 1628 1625 CONECT 1629 1624 CONECT 1630 1624 CONECT 1631 1623 CONECT 1632 1623 CONECT 1633 1622 CONECT 1634 1622 CONECT 1635 1621 CONECT 1636 1621 CONECT 1637 1556 CONECT 1638 1555 CONECT 1639 1552 1640 1644 1648 CONECT 1640 1639 1641 1642 1643 CONECT 1641 1640 CONECT 1642 1640 CONECT 1643 1640 CONECT 1644 1639 1645 1646 1647 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1644 CONECT 1648 1639 CONECT 1649 1552 CONECT 1650 1551 MASTER 0 0 0 0 0 0 0 0 1649 1 110 8 END
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Entry Information
PDB ID
1rzx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cg5884-pa
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=80uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
Mol. Cell v13 pp. 665-76, 2004
Ligand Properties
Formula
C
3
2
H
5
8
N
7
O
1
1
Molecular Weight
716.843
Exact Mass
716.419
No. of atoms
108
No. of bonds
107
Polar Surface Area
297.07
LOGP Value
-0.23 (
Computed with XLOGP3
)
-0.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC(C)C)CO)CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C
InChI String
InChI=1S/C32H57N7O11/c1-16(2)14-22(29(46)39-26(18(5)6)32(49)50)37-30(47)23(15-40)38-28(45)21(11-12-24(42)43)35-27(44)20(10-8-9-13-33)36-31(48)25(17(3)4)34-19(7)41/h16-18,20-23,25-26,40H,8-15,33H2,1-7H3,(H,34,41)(H,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,46)(H,42,43)(H,49,50)/p+1/t20-,21-,22-,23-,25-,26-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O97111
Entrez Gene ID
NCBI Entrez Gene ID:
32752
ASD
Information of known allosteric effects of PDB entries
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