Browse entries in the PDBbind-CN Database
HEADER 6UDU_COMPLEX COMPND 6UDU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 156 GLU ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SER SEQRES 2 A 156 ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP THR SEQRES 3 A 156 LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS ALA SEQRES 4 A 156 LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN ARG SEQRES 5 A 156 ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS LEU SEQRES 6 A 156 ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER ARG SEQRES 7 A 156 VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN TRP SEQRES 8 A 156 GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE VAL SEQRES 9 A 156 ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER CYS ILE SEQRES 10 A 156 GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL ARG SEQRES 11 A 156 THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP ASP SEQRES 12 A 156 GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU GLY HET Q A 4Y 72 ATOM 1 N GLU A 171 2.805 16.419 71.790 1.00 66.37 N ATOM 2 CA GLU A 171 3.205 16.964 73.126 1.00 63.53 C ATOM 3 C GLU A 171 2.447 16.261 74.251 1.00 55.64 C ATOM 4 O GLU A 171 1.215 16.164 74.221 1.00 60.66 O ATOM 5 CB GLU A 171 2.929 18.465 73.218 1.00 66.64 C ATOM 6 CG GLU A 171 3.640 19.133 74.395 1.00 71.01 C ATOM 7 CD GLU A 171 2.750 20.070 75.201 1.00 78.09 C ATOM 8 OE1 GLU A 171 1.713 20.538 74.674 1.00 83.11 O ATOM 9 OE2 GLU A 171 3.093 20.339 76.376 1.00 77.78 O ATOM 10 HN3 GLU A 171 1.785 16.565 71.649 1.00 0.00 H ATOM 11 HN2 GLU A 171 3.019 15.402 71.754 1.00 0.00 H ATOM 12 HN1 GLU A 171 3.334 16.913 71.043 1.00 0.00 H ATOM 13 N ASP A 172 3.188 15.806 75.255 1.00 43.25 N ATOM 14 CA ASP A 172 2.604 15.088 76.380 1.00 36.49 C ATOM 15 C ASP A 172 2.488 16.016 77.590 1.00 32.54 C ATOM 16 O ASP A 172 3.389 16.061 78.426 1.00 29.17 O ATOM 17 CB ASP A 172 3.481 13.879 76.706 1.00 33.52 C ATOM 18 CG ASP A 172 2.833 12.930 77.706 1.00 29.75 C ATOM 19 OD1 ASP A 172 1.893 13.340 78.414 1.00 28.04 O ATOM 20 OD2 ASP A 172 3.314 11.778 77.797 1.00 28.38 O ATOM 21 H ASP A 172 4.215 15.967 75.237 1.00 0.00 H ATOM 22 N GLU A 173 1.368 16.727 77.702 1.00 31.35 N ATOM 23 CA GLU A 173 1.243 17.744 78.743 1.00 35.13 C ATOM 24 C GLU A 173 1.276 17.166 80.158 1.00 29.71 C ATOM 25 O GLU A 173 1.885 17.758 81.050 1.00 27.76 O ATOM 26 CB GLU A 173 -0.031 18.574 78.563 1.00 39.05 C ATOM 27 CG GLU A 173 -0.171 19.708 79.568 1.00 47.00 C ATOM 28 CD GLU A 173 1.000 20.684 79.533 1.00 55.51 C ATOM 29 OE1 GLU A 173 1.156 21.398 78.513 1.00 62.40 O ATOM 30 OE2 GLU A 173 1.766 20.737 80.527 1.00 56.46 O ATOM 31 H GLU A 173 0.579 16.558 77.046 1.00 0.00 H ATOM 32 N LEU A 174 0.604 16.036 80.360 1.00 26.99 N ATOM 33 CA LEU A 174 0.572 15.384 81.663 1.00 26.16 C ATOM 34 C LEU A 174 1.977 14.958 82.113 1.00 24.83 C ATOM 35 O LEU A 174 2.347 15.181 83.255 1.00 24.73 O ATOM 36 CB LEU A 174 -0.398 14.184 81.651 1.00 25.86 C ATOM 37 CG LEU A 174 -0.425 13.325 82.926 1.00 28.66 C ATOM 38 CD1 LEU A 174 -0.864 14.140 84.144 1.00 28.28 C ATOM 39 CD2 LEU A 174 -1.322 12.105 82.726 1.00 26.96 C ATOM 40 H LEU A 174 0.087 15.606 79.566 1.00 0.00 H ATOM 41 N TYR A 175 2.763 14.367 81.218 1.00 24.88 N ATOM 42 CA TYR A 175 4.138 14.012 81.563 1.00 24.73 C ATOM 43 C TYR A 175 4.953 15.239 81.966 1.00 25.41 C ATOM 44 O TYR A 175 5.634 15.237 82.999 1.00 23.60 O ATOM 45 CB TYR A 175 4.862 13.318 80.416 1.00 25.14 C ATOM 46 CG TYR A 175 6.212 12.815 80.872 1.00 26.75 C ATOM 47 CD1 TYR A 175 6.318 11.592 81.513 1.00 28.84 C ATOM 48 CD2 TYR A 175 7.372 13.580 80.711 1.00 27.94 C ATOM 49 CE1 TYR A 175 7.531 11.122 81.966 1.00 28.24 C ATOM 50 CE2 TYR A 175 8.601 13.108 81.162 1.00 29.79 C ATOM 51 CZ TYR A 175 8.668 11.884 81.793 1.00 30.46 C ATOM 52 OH TYR A 175 9.870 11.393 82.254 1.00 36.68 O ATOM 53 HH TYR A 175 9.724 10.509 82.675 1.00 0.00 H ATOM 54 H TYR A 175 2.397 14.156 80.267 1.00 0.00 H ATOM 55 N ARG A 176 4.890 16.275 81.138 1.00 26.70 N ATOM 56 CA ARG A 176 5.706 17.477 81.346 1.00 27.23 C ATOM 57 C ARG A 176 5.369 18.125 82.690 1.00 24.31 C ATOM 58 O ARG A 176 6.262 18.531 83.461 1.00 25.63 O ATOM 59 CB ARG A 176 5.455 18.460 80.189 1.00 32.53 C ATOM 60 CG ARG A 176 6.326 19.721 80.176 1.00 40.52 C ATOM 61 CD ARG A 176 5.560 20.929 79.623 1.00 45.45 C ATOM 62 NE ARG A 176 4.449 21.310 80.506 1.00 48.79 N ATOM 63 CZ ARG A 176 4.578 21.959 81.670 1.00 50.34 C ATOM 64 NH1 ARG A 176 5.777 22.337 82.128 1.00 50.68 N ATOM 65 NH2 ARG A 176 3.495 22.236 82.389 1.00 50.45 N ATOM 66 HE ARG A 176 3.487 21.056 80.203 1.00 0.00 H ATOM 67 HH12 ARG A 176 5.852 22.840 83.035 1.00 0.00 H ATOM 68 HH11 ARG A 176 6.634 22.128 81.577 1.00 0.00 H ATOM 69 HH22 ARG A 176 3.587 22.740 83.294 1.00 0.00 H ATOM 70 HH21 ARG A 176 2.556 21.949 82.046 1.00 0.00 H ATOM 71 H ARG A 176 4.247 16.234 80.322 1.00 0.00 H ATOM 72 N GLN A 177 4.075 18.245 82.960 1.00 24.92 N ATOM 73 CA GLN A 177 3.588 18.822 84.207 1.00 26.28 C ATOM 74 C GLN A 177 3.991 17.961 85.407 1.00 25.32 C ATOM 75 O GLN A 177 4.451 18.479 86.424 1.00 24.58 O ATOM 76 CB GLN A 177 2.078 18.967 84.154 1.00 28.35 C ATOM 77 CG GLN A 177 1.490 19.518 85.431 1.00 28.11 C ATOM 78 CD GLN A 177 0.032 19.855 85.287 1.00 30.61 C ATOM 79 OE1 GLN A 177 -0.733 19.108 84.672 1.00 28.50 O ATOM 80 NE2 GLN A 177 -0.371 20.987 85.876 1.00 29.56 N ATOM 81 HE22 GLN A 177 0.315 21.582 86.383 1.00 0.00 H ATOM 82 HE21 GLN A 177 -1.370 21.272 85.827 1.00 0.00 H ATOM 83 H GLN A 177 3.384 17.915 82.257 1.00 0.00 H ATOM 84 N SER A 178 3.801 16.651 85.277 1.00 24.66 N ATOM 85 CA SER A 178 4.232 15.700 86.317 1.00 24.31 C ATOM 86 C SER A 178 5.726 15.851 86.631 1.00 25.76 C ATOM 87 O SER A 178 6.121 15.941 87.802 1.00 25.34 O ATOM 88 CB SER A 178 3.905 14.266 85.906 1.00 25.93 C ATOM 89 OG SER A 178 2.497 14.105 85.719 1.00 24.58 O ATOM 90 HG SER A 178 2.187 14.721 85.009 1.00 0.00 H ATOM 91 H SER A 178 3.337 16.289 84.420 1.00 0.00 H ATOM 92 N LEU A 179 6.552 15.889 85.591 1.00 26.40 N ATOM 93 CA LEU A 179 7.987 15.981 85.789 1.00 26.67 C ATOM 94 C LEU A 179 8.361 17.279 86.495 1.00 26.89 C ATOM 95 O LEU A 179 9.201 17.276 87.411 1.00 27.10 O ATOM 96 CB LEU A 179 8.715 15.863 84.456 1.00 27.08 C ATOM 97 CG LEU A 179 10.251 15.836 84.529 1.00 28.22 C ATOM 98 CD1 LEU A 179 10.810 14.673 85.341 1.00 27.28 C ATOM 99 CD2 LEU A 179 10.789 15.795 83.109 1.00 28.37 C ATOM 100 H LEU A 179 6.167 15.852 84.626 1.00 0.00 H ATOM 101 N GLU A 180 7.737 18.382 86.100 1.00 26.90 N ATOM 102 CA GLU A 180 8.035 19.672 86.720 1.00 28.84 C ATOM 103 C GLU A 180 7.664 19.721 88.210 1.00 29.03 C ATOM 104 O GLU A 180 8.428 20.239 89.030 1.00 25.97 O ATOM 105 CB GLU A 180 7.320 20.802 85.980 1.00 31.26 C ATOM 106 CG GLU A 180 7.659 22.171 86.541 1.00 36.40 C ATOM 107 CD GLU A 180 7.465 23.278 85.536 1.00 40.59 C ATOM 108 OE1 GLU A 180 6.333 23.410 85.019 1.00 48.63 O ATOM 109 OE2 GLU A 180 8.446 24.006 85.276 1.00 45.59 O ATOM 110 H GLU A 180 7.028 18.328 85.341 1.00 0.00 H ATOM 111 N ILE A 181 6.492 19.192 88.561 1.00 25.68 N ATOM 112 CA ILE A 181 6.036 19.178 89.950 1.00 24.90 C ATOM 113 C ILE A 181 6.941 18.278 90.803 1.00 23.99 C ATOM 114 O ILE A 181 7.431 18.682 91.865 1.00 25.63 O ATOM 115 CB ILE A 181 4.579 18.661 90.055 1.00 23.07 C ATOM 116 CG1 ILE A 181 3.590 19.697 89.495 1.00 24.52 C ATOM 117 CG2 ILE A 181 4.223 18.329 91.505 1.00 23.37 C ATOM 118 CD1 ILE A 181 2.238 19.134 89.073 1.00 22.66 C ATOM 119 H ILE A 181 5.885 18.777 87.826 1.00 0.00 H ATOM 120 N ILE A 182 7.150 17.064 90.328 1.00 23.45 N ATOM 121 CA ILE A 182 7.953 16.050 91.047 1.00 22.21 C ATOM 122 C ILE A 182 9.426 16.493 91.184 1.00 26.55 C ATOM 123 O ILE A 182 10.034 16.350 92.255 1.00 25.01 O ATOM 124 CB ILE A 182 7.818 14.667 90.381 1.00 23.90 C ATOM 125 CG1 ILE A 182 6.395 14.139 90.598 1.00 23.17 C ATOM 126 CG2 ILE A 182 8.795 13.651 90.983 1.00 21.88 C ATOM 127 CD1 ILE A 182 6.038 12.886 89.805 1.00 23.48 C ATOM 128 H ILE A 182 6.733 16.810 89.410 1.00 0.00 H ATOM 129 N SER A 183 9.978 17.056 90.116 1.00 25.33 N ATOM 130 CA SER A 183 11.368 17.517 90.128 1.00 27.96 C ATOM 131 C SER A 183 11.551 18.652 91.102 1.00 25.31 C ATOM 132 O SER A 183 12.494 18.646 91.896 1.00 26.62 O ATOM 133 CB SER A 183 11.811 17.989 88.739 1.00 28.95 C ATOM 134 OG SER A 183 11.984 16.884 87.883 1.00 37.19 O ATOM 135 HG SER A 183 11.128 16.394 87.802 1.00 0.00 H ATOM 136 H SER A 183 9.411 17.172 89.252 1.00 0.00 H ATOM 137 N ARG A 184 10.672 19.641 91.020 1.00 27.70 N ATOM 138 CA ARG A 184 10.702 20.764 91.960 1.00 27.38 C ATOM 139 C ARG A 184 10.602 20.328 93.437 1.00 27.73 C ATOM 140 O ARG A 184 11.383 20.777 94.283 1.00 27.15 O ATOM 141 CB ARG A 184 9.619 21.781 91.622 1.00 30.27 C ATOM 142 CG ARG A 184 10.025 22.653 90.447 1.00 35.56 C ATOM 143 CD ARG A 184 9.031 23.764 90.206 1.00 37.76 C ATOM 144 NE ARG A 184 9.335 24.442 88.953 1.00 37.59 N ATOM 145 CZ ARG A 184 9.599 25.741 88.817 1.00 38.67 C ATOM 146 NH1 ARG A 184 9.593 26.566 89.863 1.00 34.00 N ATOM 147 NH2 ARG A 184 9.857 26.220 87.606 1.00 36.76 N ATOM 148 HE ARG A 184 9.347 23.862 88.090 1.00 0.00 H ATOM 149 HH12 ARG A 184 9.802 27.576 89.730 1.00 0.00 H ATOM 150 HH11 ARG A 184 9.379 26.200 90.813 1.00 0.00 H ATOM 151 HH22 ARG A 184 10.065 27.231 87.480 1.00 0.00 H ATOM 152 HH21 ARG A 184 9.851 25.584 86.783 1.00 0.00 H ATOM 153 H ARG A 184 9.947 19.619 90.274 1.00 0.00 H ATOM 154 N TYR A 185 9.657 19.449 93.748 1.00 25.07 N ATOM 155 CA TYR A 185 9.505 18.978 95.124 1.00 25.11 C ATOM 156 C TYR A 185 10.757 18.267 95.615 1.00 24.32 C ATOM 157 O TYR A 185 11.225 18.540 96.710 1.00 25.56 O ATOM 158 CB TYR A 185 8.285 18.054 95.266 1.00 25.64 C ATOM 159 CG TYR A 185 8.021 17.593 96.687 1.00 25.00 C ATOM 160 CD1 TYR A 185 7.778 18.504 97.723 1.00 28.51 C ATOM 161 CD2 TYR A 185 7.998 16.244 97.003 1.00 25.69 C ATOM 162 CE1 TYR A 185 7.546 18.077 99.024 1.00 26.45 C ATOM 163 CE2 TYR A 185 7.759 15.808 98.298 1.00 25.60 C ATOM 164 CZ TYR A 185 7.530 16.717 99.305 1.00 27.64 C ATOM 165 OH TYR A 185 7.283 16.249 100.588 1.00 29.84 O ATOM 166 HH TYR A 185 7.139 17.017 101.196 1.00 0.00 H ATOM 167 H TYR A 185 9.020 19.093 93.007 1.00 0.00 H ATOM 168 N LEU A 186 11.284 17.353 94.811 1.00 23.26 N ATOM 169 CA LEU A 186 12.490 16.613 95.209 1.00 25.75 C ATOM 170 C LEU A 186 13.690 17.551 95.430 1.00 25.76 C ATOM 171 O LEU A 186 14.417 17.396 96.401 1.00 26.07 O ATOM 172 CB LEU A 186 12.838 15.508 94.215 1.00 25.67 C ATOM 173 CG LEU A 186 12.293 14.113 94.568 1.00 26.38 C ATOM 174 CD1 LEU A 186 10.781 14.127 94.795 1.00 24.09 C ATOM 175 CD2 LEU A 186 12.703 13.107 93.506 1.00 28.52 C ATOM 176 H LEU A 186 10.840 17.158 93.891 1.00 0.00 H ATOM 177 N ARG A 187 13.853 18.539 94.559 1.00 28.29 N ATOM 178 CA ARG A 187 14.980 19.466 94.672 1.00 30.88 C ATOM 179 C ARG A 187 14.860 20.405 95.867 1.00 32.44 C ATOM 180 O ARG A 187 15.858 20.729 96.530 1.00 31.91 O ATOM 181 CB ARG A 187 15.123 20.274 93.380 1.00 34.29 C ATOM 182 CG ARG A 187 15.753 19.477 92.251 1.00 38.81 C ATOM 183 CD ARG A 187 16.131 20.346 91.063 1.00 44.04 C ATOM 184 NE ARG A 187 15.043 20.440 90.092 1.00 49.82 N ATOM 185 CZ ARG A 187 14.184 21.454 89.975 1.00 53.21 C ATOM 186 NH1 ARG A 187 14.248 22.531 90.768 1.00 52.14 N ATOM 187 NH2 ARG A 187 13.241 21.390 89.037 1.00 49.95 N ATOM 188 HE ARG A 187 14.928 19.644 89.432 1.00 0.00 H ATOM 189 HH12 ARG A 187 13.563 23.305 90.651 1.00 0.00 H ATOM 190 HH11 ARG A 187 14.983 22.594 91.501 1.00 0.00 H ATOM 191 HH22 ARG A 187 12.561 22.170 88.929 1.00 0.00 H ATOM 192 HH21 ARG A 187 13.184 20.560 88.413 1.00 0.00 H ATOM 193 H ARG A 187 13.169 18.656 93.784 1.00 0.00 H ATOM 194 N GLU A 188 13.637 20.856 96.119 1.00 31.68 N ATOM 195 CA GLU A 188 13.327 21.765 97.219 1.00 32.93 C ATOM 196 C GLU A 188 13.506 21.026 98.546 1.00 32.40 C ATOM 197 O GLU A 188 14.061 21.576 99.497 1.00 31.17 O ATOM 198 CB GLU A 188 11.907 22.283 97.007 1.00 36.08 C ATOM 199 CG GLU A 188 11.159 22.869 98.170 1.00 42.32 C ATOM 200 CD GLU A 188 9.750 23.242 97.743 1.00 44.53 C ATOM 201 OE1 GLU A 188 9.608 23.976 96.740 1.00 39.29 O ATOM 202 OE2 GLU A 188 8.778 22.788 98.387 1.00 44.09 O ATOM 203 H GLU A 188 12.860 20.546 95.501 1.00 0.00 H ATOM 204 N GLN A 189 13.078 19.767 98.588 1.00 30.55 N ATOM 205 CA GLN A 189 13.296 18.916 99.761 1.00 30.64 C ATOM 206 C GLN A 189 14.778 18.665 100.041 1.00 31.25 C ATOM 207 O GLN A 189 15.193 18.681 101.187 1.00 34.44 O ATOM 208 CB GLN A 189 12.567 17.584 99.594 1.00 28.25 C ATOM 209 CG GLN A 189 11.066 17.726 99.736 1.00 28.40 C ATOM 210 CD GLN A 189 10.618 17.601 101.180 1.00 31.18 C ATOM 211 OE1 GLN A 189 10.889 16.591 101.841 1.00 29.10 O ATOM 212 NE2 GLN A 189 9.948 18.629 101.682 1.00 29.40 N ATOM 213 HE22 GLN A 189 9.744 19.457 101.087 1.00 0.00 H ATOM 214 HE21 GLN A 189 9.627 18.607 102.671 1.00 0.00 H ATOM 215 H GLN A 189 12.575 19.376 97.766 1.00 0.00 H ATOM 216 N ALA A 190 15.559 18.447 98.989 1.00 32.25 N ATOM 217 CA ALA A 190 16.997 18.201 99.113 1.00 36.12 C ATOM 218 C ALA A 190 17.775 19.446 99.532 1.00 36.39 C ATOM 219 O ALA A 190 18.653 19.361 100.382 1.00 37.35 O ATOM 220 CB ALA A 190 17.559 17.656 97.806 1.00 33.77 C ATOM 221 H ALA A 190 15.133 18.451 98.040 1.00 0.00 H ATOM 222 N THR A 191 17.454 20.591 98.935 1.00 36.56 N ATOM 223 CA THR A 191 18.262 21.808 99.102 1.00 34.24 C ATOM 224 C THR A 191 17.726 22.753 100.183 1.00 37.82 C ATOM 225 O THR A 191 18.448 23.623 100.677 1.00 36.36 O ATOM 226 CB THR A 191 18.345 22.594 97.783 1.00 36.39 C ATOM 227 OG1 THR A 191 17.070 23.182 97.496 1.00 35.86 O ATOM 228 CG2 THR A 191 18.773 21.687 96.638 1.00 34.05 C ATOM 229 HG1 THR A 191 16.390 22.468 97.413 1.00 0.00 H ATOM 230 H THR A 191 16.607 20.626 98.333 1.00 0.00 H ATOM 231 N GLY A 192 16.455 22.598 100.534 1.00 37.79 N ATOM 232 CA GLY A 192 15.800 23.483 101.498 1.00 35.72 C ATOM 233 C GLY A 192 15.502 24.883 100.988 1.00 36.11 C ATOM 234 O GLY A 192 15.213 25.773 101.778 1.00 36.44 O ATOM 235 H GLY A 192 15.907 21.822 100.110 1.00 0.00 H ATOM 236 N ALA A 193 15.558 25.074 99.671 1.00 37.58 N ATOM 237 CA ALA A 193 15.311 26.375 99.047 1.00 40.35 C ATOM 238 C ALA A 193 14.244 26.235 97.973 1.00 39.76 C ATOM 239 O ALA A 193 14.219 25.246 97.249 1.00 37.36 O ATOM 240 CB ALA A 193 16.599 26.920 98.435 1.00 41.14 C ATOM 241 H ALA A 193 15.787 24.264 99.060 1.00 0.00 H ATOM 242 N LYS A 194 13.375 27.233 97.875 1.00 38.93 N ATOM 243 CA LYS A 194 12.315 27.255 96.876 1.00 43.00 C ATOM 244 C LYS A 194 12.905 27.682 95.530 1.00 40.95 C ATOM 245 O LYS A 194 13.734 28.585 95.483 1.00 39.10 O ATOM 246 CB LYS A 194 11.233 28.237 97.326 1.00 46.89 C ATOM 247 CG LYS A 194 9.965 28.230 96.492 1.00 54.49 C ATOM 248 CD LYS A 194 8.894 29.153 97.071 1.00 60.28 C ATOM 249 CE LYS A 194 8.593 28.831 98.531 1.00 67.81 C ATOM 250 NZ LYS A 194 7.253 29.315 98.969 1.00 73.95 N ATOM 251 HZ1 LYS A 194 7.205 30.348 98.856 1.00 0.00 H ATOM 252 HZ2 LYS A 194 6.517 28.867 98.387 1.00 0.00 H ATOM 253 HZ3 LYS A 194 7.106 29.067 99.968 1.00 0.00 H ATOM 254 H LYS A 194 13.454 28.031 98.537 1.00 0.00 H ATOM 255 N ASP A 195 12.521 27.011 94.447 1.00 37.50 N ATOM 256 CA ASP A 195 12.920 27.453 93.094 1.00 36.92 C ATOM 257 C ASP A 195 12.011 28.595 92.656 1.00 36.79 C ATOM 258 O ASP A 195 10.798 28.448 92.598 1.00 37.22 O ATOM 259 CB ASP A 195 12.842 26.297 92.095 1.00 36.26 C ATOM 260 CG ASP A 195 13.296 26.683 90.688 1.00 37.53 C ATOM 261 OD1 ASP A 195 13.515 27.884 90.389 1.00 39.41 O ATOM 262 OD2 ASP A 195 13.415 25.757 89.861 1.00 40.62 O ATOM 263 H ASP A 195 11.930 26.162 94.554 1.00 0.00 H ATOM 264 N THR A 196 12.620 29.725 92.327 1.00 37.23 N ATOM 265 CA THR A 196 11.895 30.954 92.025 1.00 40.15 C ATOM 266 C THR A 196 11.418 31.061 90.560 1.00 36.32 C ATOM 267 O THR A 196 10.610 31.935 90.220 1.00 40.31 O ATOM 268 CB THR A 196 12.786 32.180 92.369 1.00 42.92 C ATOM 269 OG1 THR A 196 12.204 33.365 91.820 1.00 54.03 O ATOM 270 CG2 THR A 196 14.200 31.997 91.820 1.00 42.93 C ATOM 271 HG1 THR A 196 12.136 33.273 90.837 1.00 0.00 H ATOM 272 H THR A 196 13.659 29.736 92.282 1.00 0.00 H ATOM 273 N LYS A 197 11.906 30.179 89.696 1.00 33.73 N ATOM 274 CA LYS A 197 11.545 30.215 88.286 1.00 32.68 C ATOM 275 C LYS A 197 10.063 29.939 88.108 1.00 31.46 C ATOM 276 O LYS A 197 9.496 29.142 88.841 1.00 30.86 O ATOM 277 CB LYS A 197 12.305 29.153 87.506 1.00 35.35 C ATOM 278 CG LYS A 197 13.799 29.368 87.443 1.00 40.91 C ATOM 279 CD LYS A 197 14.458 28.152 86.812 1.00 45.51 C ATOM 280 CE LYS A 197 15.965 28.206 86.955 1.00 51.47 C ATOM 281 NZ LYS A 197 16.576 26.984 86.369 1.00 53.56 N ATOM 282 HZ1 LYS A 197 16.215 26.145 86.866 1.00 0.00 H ATOM 283 HZ2 LYS A 197 16.330 26.924 85.360 1.00 0.00 H ATOM 284 HZ3 LYS A 197 17.610 27.031 86.472 1.00 0.00 H ATOM 285 H LYS A 197 12.561 29.446 90.034 1.00 0.00 H ATOM 286 N PRO A 198 9.439 30.573 87.116 1.00 29.88 N ATOM 287 CA PRO A 198 8.053 30.230 86.829 1.00 31.84 C ATOM 288 C PRO A 198 7.891 28.775 86.410 1.00 31.19 C ATOM 289 O PRO A 198 8.826 28.152 85.894 1.00 29.14 O ATOM 290 CB PRO A 198 7.681 31.144 85.650 1.00 35.66 C ATOM 291 CG PRO A 198 8.702 32.228 85.642 1.00 35.41 C ATOM 292 CD PRO A 198 9.935 31.689 86.289 1.00 33.69 C ATOM 293 N MET A 199 6.693 28.252 86.621 1.00 33.59 N ATOM 294 CA MET A 199 6.309 26.974 86.060 1.00 36.64 C ATOM 295 C MET A 199 6.097 27.143 84.561 1.00 40.83 C ATOM 296 O MET A 199 5.995 28.261 84.056 1.00 41.05 O ATOM 297 CB MET A 199 5.007 26.495 86.703 1.00 39.89 C ATOM 298 CG MET A 199 5.066 26.335 88.213 1.00 43.43 C ATOM 299 SD MET A 199 6.056 24.914 88.664 1.00 49.85 S ATOM 300 CE MET A 199 5.560 24.718 90.371 1.00 47.19 C ATOM 301 H MET A 199 6.009 28.774 87.206 1.00 0.00 H ATOM 302 N GLY A 200 6.018 26.029 83.848 1.00 45.09 N ATOM 303 CA GLY A 200 5.694 26.058 82.423 1.00 49.51 C ATOM 304 C GLY A 200 4.199 26.202 82.206 1.00 48.97 C ATOM 305 O GLY A 200 3.531 26.990 82.879 1.00 48.23 O ATOM 306 H GLY A 200 6.190 25.114 84.312 1.00 0.00 H ATOM 307 N ARG A 201 3.676 25.429 81.261 1.00 55.60 N ATOM 308 CA ARG A 201 2.243 25.406 80.965 1.00 58.45 C ATOM 309 C ARG A 201 1.451 25.032 82.220 1.00 52.91 C ATOM 310 O ARG A 201 1.942 24.279 83.064 1.00 54.62 O ATOM 311 CB ARG A 201 1.954 24.387 79.852 1.00 67.32 C ATOM 312 CG ARG A 201 0.864 24.790 78.866 1.00 73.05 C ATOM 313 CD ARG A 201 1.350 24.639 77.430 1.00 77.54 C ATOM 314 NE ARG A 201 2.517 25.496 77.181 1.00 82.84 N ATOM 315 CZ ARG A 201 3.755 25.077 76.901 1.00 81.20 C ATOM 316 NH1 ARG A 201 4.714 25.978 76.703 1.00 78.55 N ATOM 317 NH2 ARG A 201 4.054 23.781 76.814 1.00 82.22 N ATOM 318 HE ARG A 201 2.366 26.524 77.227 1.00 0.00 H ATOM 319 HH12 ARG A 201 5.682 25.667 76.484 1.00 0.00 H ATOM 320 HH11 ARG A 201 4.495 26.993 76.767 1.00 0.00 H ATOM 321 HH22 ARG A 201 5.027 23.485 76.595 1.00 0.00 H ATOM 322 HH21 ARG A 201 3.315 23.065 76.966 1.00 0.00 H ATOM 323 H ARG A 201 4.310 24.816 80.710 1.00 0.00 H ATOM 324 N SER A 202 0.243 25.571 82.342 1.00 46.33 N ATOM 325 CA SER A 202 -0.642 25.244 83.463 1.00 43.59 C ATOM 326 C SER A 202 0.017 25.541 84.811 1.00 40.44 C ATOM 327 O SER A 202 -0.108 24.761 85.760 1.00 35.53 O ATOM 328 CB SER A 202 -1.058 23.766 83.400 1.00 44.64 C ATOM 329 OG SER A 202 -1.410 23.397 82.080 1.00 49.75 O ATOM 330 HG SER A 202 -1.674 22.443 82.065 1.00 0.00 H ATOM 331 H SER A 202 -0.084 26.245 81.621 1.00 0.00 H ATOM 332 N GLY A 203 0.701 26.679 84.893 1.00 36.52 N ATOM 333 CA GLY A 203 1.476 27.020 86.072 1.00 37.88 C ATOM 334 C GLY A 203 0.668 27.140 87.349 1.00 37.07 C ATOM 335 O GLY A 203 1.140 26.750 88.413 1.00 38.85 O ATOM 336 H GLY A 203 0.680 27.342 84.092 1.00 0.00 H ATOM 337 N ALA A 204 -0.546 27.682 87.257 1.00 34.30 N ATOM 338 CA ALA A 204 -1.380 27.874 88.447 1.00 35.83 C ATOM 339 C ALA A 204 -1.701 26.542 89.126 1.00 34.70 C ATOM 340 O ALA A 204 -1.624 26.433 90.349 1.00 32.65 O ATOM 341 CB ALA A 204 -2.665 28.617 88.106 1.00 37.23 C ATOM 342 H ALA A 204 -0.907 27.973 86.326 1.00 0.00 H ATOM 343 N THR A 205 -2.057 25.539 88.328 1.00 34.72 N ATOM 344 CA THR A 205 -2.295 24.192 88.857 1.00 33.08 C ATOM 345 C THR A 205 -1.004 23.545 89.373 1.00 32.37 C ATOM 346 O THR A 205 -1.004 22.985 90.473 1.00 31.41 O ATOM 347 CB THR A 205 -2.956 23.278 87.812 1.00 35.09 C ATOM 348 OG1 THR A 205 -4.269 23.779 87.537 1.00 36.30 O ATOM 349 CG2 THR A 205 -3.060 21.852 88.339 1.00 33.32 C ATOM 350 HG1 THR A 205 -4.708 23.200 86.865 1.00 0.00 H ATOM 351 H THR A 205 -2.169 25.713 87.309 1.00 0.00 H ATOM 352 N SER A 206 0.083 23.638 88.607 1.00 31.20 N ATOM 353 CA SER A 206 1.375 23.094 89.057 1.00 33.56 C ATOM 354 C SER A 206 1.856 23.745 90.354 1.00 32.06 C ATOM 355 O SER A 206 2.382 23.063 91.233 1.00 30.97 O ATOM 356 CB SER A 206 2.450 23.253 87.989 1.00 34.06 C ATOM 357 OG SER A 206 2.094 22.530 86.843 1.00 35.14 O ATOM 358 HG SER A 206 2.797 22.638 86.154 1.00 0.00 H ATOM 359 H SER A 206 0.017 24.101 87.678 1.00 0.00 H ATOM 360 N ARG A 207 1.669 25.055 90.480 1.00 32.79 N ATOM 361 CA ARG A 207 1.993 25.763 91.734 1.00 35.99 C ATOM 362 C ARG A 207 1.201 25.216 92.919 1.00 33.27 C ATOM 363 O ARG A 207 1.759 24.989 93.996 1.00 30.41 O ATOM 364 CB ARG A 207 1.719 27.275 91.616 1.00 39.85 C ATOM 365 CG ARG A 207 2.824 28.085 90.964 1.00 44.66 C ATOM 366 CD ARG A 207 2.655 29.594 91.194 1.00 46.67 C ATOM 367 NE ARG A 207 1.434 30.141 90.585 1.00 48.31 N ATOM 368 CZ ARG A 207 1.262 30.394 89.284 1.00 50.49 C ATOM 369 NH1 ARG A 207 2.225 30.150 88.401 1.00 53.11 N ATOM 370 NH2 ARG A 207 0.103 30.889 88.854 1.00 50.17 N ATOM 371 HE ARG A 207 0.637 30.349 91.220 1.00 0.00 H ATOM 372 HH12 ARG A 207 2.070 30.354 87.393 1.00 0.00 H ATOM 373 HH11 ARG A 207 3.133 29.755 88.718 1.00 0.00 H ATOM 374 HH22 ARG A 207 -0.034 31.087 87.842 1.00 0.00 H ATOM 375 HH21 ARG A 207 -0.665 31.077 89.530 1.00 0.00 H ATOM 376 H ARG A 207 1.286 25.593 89.677 1.00 0.00 H ATOM 377 N LYS A 208 -0.103 25.029 92.725 1.00 31.76 N ATOM 378 CA LYS A 208 -0.977 24.531 93.787 1.00 32.03 C ATOM 379 C LYS A 208 -0.648 23.080 94.125 1.00 28.99 C ATOM 380 O LYS A 208 -0.709 22.690 95.288 1.00 28.71 O ATOM 381 CB LYS A 208 -2.446 24.654 93.395 1.00 34.08 C ATOM 382 CG LYS A 208 -2.956 26.091 93.415 1.00 40.82 C ATOM 383 CD LYS A 208 -4.396 26.170 92.941 1.00 45.34 C ATOM 384 CE LYS A 208 -4.931 27.591 93.041 1.00 50.61 C ATOM 385 NZ LYS A 208 -6.356 27.675 92.619 1.00 51.78 N ATOM 386 HZ1 LYS A 208 -6.443 27.361 91.631 1.00 0.00 H ATOM 387 HZ2 LYS A 208 -6.934 27.064 93.230 1.00 0.00 H ATOM 388 HZ3 LYS A 208 -6.683 28.659 92.701 1.00 0.00 H ATOM 389 H LYS A 208 -0.511 25.243 91.793 1.00 0.00 H ATOM 390 N ALA A 209 -0.306 22.299 93.104 1.00 27.82 N ATOM 391 CA ALA A 209 0.104 20.899 93.304 1.00 27.73 C ATOM 392 C ALA A 209 1.377 20.829 94.153 1.00 28.16 C ATOM 393 O ALA A 209 1.429 20.073 95.120 1.00 25.55 O ATOM 394 CB ALA A 209 0.301 20.195 91.965 1.00 27.33 C ATOM 395 H ALA A 209 -0.329 22.687 92.139 1.00 0.00 H ATOM 396 N LEU A 210 2.377 21.644 93.826 1.00 27.96 N ATOM 397 CA LEU A 210 3.626 21.685 94.608 1.00 27.45 C ATOM 398 C LEU A 210 3.347 22.114 96.046 1.00 27.61 C ATOM 399 O LEU A 210 3.870 21.513 96.994 1.00 28.96 O ATOM 400 CB LEU A 210 4.662 22.605 93.936 1.00 29.14 C ATOM 401 CG LEU A 210 6.033 22.763 94.603 1.00 30.63 C ATOM 402 CD1 LEU A 210 6.685 21.414 94.885 1.00 30.42 C ATOM 403 CD2 LEU A 210 6.957 23.621 93.746 1.00 31.71 C ATOM 404 H LEU A 210 2.275 22.267 92.999 1.00 0.00 H ATOM 405 N GLU A 211 2.484 23.116 96.225 1.00 28.91 N ATOM 406 CA GLU A 211 2.101 23.572 97.568 1.00 30.55 C ATOM 407 C GLU A 211 1.382 22.480 98.359 1.00 29.53 C ATOM 408 O GLU A 211 1.584 22.348 99.573 1.00 31.60 O ATOM 409 CB GLU A 211 1.246 24.851 97.493 1.00 35.13 C ATOM 410 CG GLU A 211 2.051 26.063 97.023 1.00 40.99 C ATOM 411 CD GLU A 211 1.209 27.212 96.468 1.00 46.07 C ATOM 412 OE1 GLU A 211 -0.045 27.133 96.477 1.00 48.99 O ATOM 413 OE2 GLU A 211 1.821 28.212 96.014 1.00 46.32 O ATOM 414 H GLU A 211 2.072 23.586 95.393 1.00 0.00 H ATOM 415 N THR A 212 0.584 21.670 97.666 1.00 27.97 N ATOM 416 CA THR A 212 -0.078 20.516 98.273 1.00 28.22 C ATOM 417 C THR A 212 0.920 19.442 98.703 1.00 29.33 C ATOM 418 O THR A 212 0.833 18.940 99.825 1.00 29.16 O ATOM 419 CB THR A 212 -1.128 19.898 97.330 1.00 28.98 C ATOM 420 OG1 THR A 212 -2.110 20.884 97.015 1.00 30.49 O ATOM 421 CG2 THR A 212 -1.808 18.698 97.973 1.00 26.28 C ATOM 422 HG1 THR A 212 -1.673 21.653 96.570 1.00 0.00 H ATOM 423 H THR A 212 0.426 21.865 96.657 1.00 0.00 H ATOM 424 N LEU A 213 1.857 19.086 97.827 1.00 28.88 N ATOM 425 CA LEU A 213 2.942 18.159 98.207 1.00 30.06 C ATOM 426 C LEU A 213 3.759 18.638 99.409 1.00 35.77 C ATOM 427 O LEU A 213 4.162 17.823 100.247 1.00 37.53 O ATOM 428 CB LEU A 213 3.901 17.912 97.049 1.00 29.63 C ATOM 429 CG LEU A 213 3.434 16.921 96.003 1.00 28.44 C ATOM 430 CD1 LEU A 213 4.432 16.884 94.858 1.00 28.64 C ATOM 431 CD2 LEU A 213 3.274 15.539 96.627 1.00 26.49 C ATOM 432 H LEU A 213 1.824 19.467 96.860 1.00 0.00 H ATOM 433 N ARG A 214 4.023 19.941 99.480 1.00 35.33 N ATOM 434 CA ARG A 214 4.736 20.510 100.630 1.00 42.38 C ATOM 435 C ARG A 214 4.026 20.188 101.927 1.00 44.03 C ATOM 436 O ARG A 214 4.645 19.766 102.900 1.00 45.86 O ATOM 437 CB ARG A 214 4.825 22.022 100.528 1.00 43.53 C ATOM 438 CG ARG A 214 6.024 22.532 99.782 1.00 44.40 C ATOM 439 CD ARG A 214 5.952 24.040 99.690 1.00 43.04 C ATOM 440 NE ARG A 214 6.793 24.476 98.595 1.00 41.44 N ATOM 441 CZ ARG A 214 6.507 25.455 97.747 1.00 41.37 C ATOM 442 NH1 ARG A 214 5.382 26.159 97.849 1.00 44.01 N ATOM 443 NH2 ARG A 214 7.371 25.730 96.785 1.00 44.26 N ATOM 444 HE ARG A 214 7.697 23.980 98.462 1.00 0.00 H ATOM 445 HH12 ARG A 214 5.182 26.922 97.171 1.00 0.00 H ATOM 446 HH11 ARG A 214 4.703 25.947 98.607 1.00 0.00 H ATOM 447 HH22 ARG A 214 7.170 26.493 96.108 1.00 0.00 H ATOM 448 HH21 ARG A 214 8.252 25.183 96.706 1.00 0.00 H ATOM 449 H ARG A 214 3.719 20.567 98.707 1.00 0.00 H ATOM 450 N ARG A 215 2.722 20.434 101.932 1.00 39.85 N ATOM 451 CA ARG A 215 1.895 20.183 103.088 1.00 42.56 C ATOM 452 C ARG A 215 1.832 18.686 103.370 1.00 43.13 C ATOM 453 O ARG A 215 2.205 18.237 104.455 1.00 45.22 O ATOM 454 CB ARG A 215 0.496 20.777 102.850 1.00 44.17 C ATOM 455 CG ARG A 215 -0.554 20.431 103.891 1.00 46.94 C ATOM 456 CD ARG A 215 -1.768 21.353 103.789 1.00 48.90 C ATOM 457 NE ARG A 215 -2.263 21.503 102.414 1.00 49.47 N ATOM 458 CZ ARG A 215 -3.179 20.728 101.825 1.00 52.50 C ATOM 459 NH1 ARG A 215 -3.738 19.705 102.468 1.00 52.04 N ATOM 460 NH2 ARG A 215 -3.540 20.983 100.570 1.00 52.53 N ATOM 461 HE ARG A 215 -1.866 22.281 101.849 1.00 0.00 H ATOM 462 HH12 ARG A 215 -4.449 19.116 101.989 1.00 0.00 H ATOM 463 HH11 ARG A 215 -3.464 19.495 103.449 1.00 0.00 H ATOM 464 HH22 ARG A 215 -4.252 20.386 100.102 1.00 0.00 H ATOM 465 HH21 ARG A 215 -3.110 21.779 100.057 1.00 0.00 H ATOM 466 H ARG A 215 2.281 20.821 101.073 1.00 0.00 H ATOM 467 N VAL A 216 1.405 17.906 102.383 1.00 35.88 N ATOM 468 CA VAL A 216 1.049 16.519 102.630 1.00 35.96 C ATOM 469 C VAL A 216 2.245 15.562 102.635 1.00 38.17 C ATOM 470 O VAL A 216 2.263 14.604 103.416 1.00 36.52 O ATOM 471 CB VAL A 216 -0.014 16.025 101.636 1.00 37.47 C ATOM 472 CG1 VAL A 216 -0.407 14.590 101.946 1.00 38.70 C ATOM 473 CG2 VAL A 216 -1.244 16.916 101.703 1.00 36.10 C ATOM 474 H VAL A 216 1.324 18.293 101.421 1.00 0.00 H ATOM 475 N GLY A 217 3.234 15.817 101.778 1.00 34.14 N ATOM 476 CA GLY A 217 4.398 14.939 101.659 1.00 33.51 C ATOM 477 C GLY A 217 5.259 14.880 102.907 1.00 33.84 C ATOM 478 O GLY A 217 5.730 13.809 103.314 1.00 31.60 O ATOM 479 H GLY A 217 3.176 16.664 101.177 1.00 0.00 H ATOM 480 N ASP A 218 5.461 16.041 103.515 1.00 34.01 N ATOM 481 CA ASP A 218 6.243 16.161 104.728 1.00 38.22 C ATOM 482 C ASP A 218 5.613 15.333 105.870 1.00 34.95 C ATOM 483 O ASP A 218 6.318 14.691 106.647 1.00 34.56 O ATOM 484 CB ASP A 218 6.378 17.642 105.111 1.00 44.50 C ATOM 485 CG ASP A 218 7.068 18.491 104.008 1.00 50.41 C ATOM 486 OD1 ASP A 218 6.887 18.221 102.781 1.00 46.86 O ATOM 487 OD2 ASP A 218 7.778 19.450 104.382 1.00 50.43 O ATOM 488 H ASP A 218 5.041 16.899 103.104 1.00 0.00 H ATOM 489 N GLY A 219 4.283 15.325 105.930 1.00 34.64 N ATOM 490 CA GLY A 219 3.554 14.550 106.932 1.00 31.99 C ATOM 491 C GLY A 219 3.709 13.060 106.734 1.00 28.18 C ATOM 492 O GLY A 219 3.847 12.312 107.696 1.00 27.24 O ATOM 493 H GLY A 219 3.745 15.889 105.241 1.00 0.00 H ATOM 494 N VAL A 220 3.682 12.617 105.481 1.00 27.30 N ATOM 495 CA VAL A 220 3.852 11.203 105.185 1.00 26.16 C ATOM 496 C VAL A 220 5.237 10.745 105.661 1.00 24.04 C ATOM 497 O VAL A 220 5.362 9.716 106.316 1.00 24.13 O ATOM 498 CB VAL A 220 3.657 10.917 103.684 1.00 28.94 C ATOM 499 CG1 VAL A 220 4.017 9.475 103.359 1.00 26.04 C ATOM 500 CG2 VAL A 220 2.215 11.238 103.288 1.00 30.59 C ATOM 501 H VAL A 220 3.537 13.290 104.702 1.00 0.00 H ATOM 502 N GLN A 221 6.270 11.543 105.386 1.00 24.91 N ATOM 503 CA GLN A 221 7.640 11.171 105.785 1.00 24.42 C ATOM 504 C GLN A 221 7.790 11.040 107.298 1.00 24.64 C ATOM 505 O GLN A 221 8.568 10.223 107.787 1.00 24.90 O ATOM 506 CB GLN A 221 8.639 12.198 105.264 1.00 23.77 C ATOM 507 CG GLN A 221 8.694 12.272 103.746 1.00 25.89 C ATOM 508 CD GLN A 221 9.636 13.349 103.237 1.00 31.32 C ATOM 509 OE1 GLN A 221 10.819 13.352 103.567 1.00 33.64 O ATOM 510 NE2 GLN A 221 9.113 14.262 102.419 1.00 30.08 N ATOM 511 HE22 GLN A 221 8.105 14.218 102.168 1.00 0.00 H ATOM 512 HE21 GLN A 221 9.713 15.018 102.032 1.00 0.00 H ATOM 513 H GLN A 221 6.107 12.439 104.884 1.00 0.00 H ATOM 514 N ARG A 222 7.046 11.856 108.034 1.00 25.36 N ATOM 515 CA ARG A 222 7.121 11.851 109.487 1.00 26.84 C ATOM 516 C ARG A 222 6.215 10.767 110.076 1.00 25.49 C ATOM 517 O ARG A 222 6.643 10.010 110.949 1.00 23.98 O ATOM 518 CB ARG A 222 6.750 13.225 110.022 1.00 29.08 C ATOM 519 CG ARG A 222 7.717 14.334 109.596 1.00 35.45 C ATOM 520 CD ARG A 222 8.860 14.471 110.577 1.00 40.66 C ATOM 521 NE ARG A 222 9.781 13.350 110.499 1.00 48.44 N ATOM 522 CZ ARG A 222 10.701 13.062 111.414 1.00 53.83 C ATOM 523 NH1 ARG A 222 10.847 13.813 112.511 1.00 55.50 N ATOM 524 NH2 ARG A 222 11.483 12.009 111.223 1.00 53.11 N ATOM 525 HE ARG A 222 9.716 12.728 109.668 1.00 0.00 H ATOM 526 HH12 ARG A 222 11.573 13.570 113.215 1.00 0.00 H ATOM 527 HH11 ARG A 222 10.234 14.640 112.660 1.00 0.00 H ATOM 528 HH22 ARG A 222 12.209 11.766 111.927 1.00 0.00 H ATOM 529 HH21 ARG A 222 11.370 11.426 110.369 1.00 0.00 H ATOM 530 H ARG A 222 6.394 12.514 107.561 1.00 0.00 H ATOM 531 N ASN A 223 4.981 10.670 109.577 1.00 24.48 N ATOM 532 CA ASN A 223 4.060 9.610 110.032 1.00 23.75 C ATOM 533 C ASN A 223 4.592 8.201 109.802 1.00 24.23 C ATOM 534 O ASN A 223 4.296 7.302 110.574 1.00 26.21 O ATOM 535 CB ASN A 223 2.685 9.752 109.361 1.00 22.07 C ATOM 536 CG ASN A 223 1.880 10.902 109.924 1.00 27.10 C ATOM 537 OD1 ASN A 223 1.977 11.213 111.117 1.00 28.68 O ATOM 538 ND2 ASN A 223 1.088 11.552 109.073 1.00 27.78 N ATOM 539 HD22 ASN A 223 1.039 11.254 108.078 1.00 0.00 H ATOM 540 HD21 ASN A 223 0.519 12.357 109.404 1.00 0.00 H ATOM 541 H ASN A 223 4.664 11.351 108.858 1.00 0.00 H ATOM 542 N HIS A 224 5.402 8.026 108.760 1.00 24.22 N ATOM 543 CA HIS A 224 6.005 6.740 108.429 1.00 24.79 C ATOM 544 C HIS A 224 7.503 6.716 108.536 1.00 23.30 C ATOM 545 O HIS A 224 8.182 5.959 107.832 1.00 24.20 O ATOM 546 CB HIS A 224 5.488 6.300 107.069 1.00 24.81 C ATOM 547 CG HIS A 224 3.981 6.205 107.047 1.00 26.07 C ATOM 548 ND1 HIS A 224 3.320 5.086 107.419 1.00 27.53 N ATOM 549 CD2 HIS A 224 3.005 7.175 106.803 1.00 26.71 C ATOM 550 CE1 HIS A 224 1.990 5.312 107.344 1.00 30.91 C ATOM 551 NE2 HIS A 224 1.799 6.594 106.995 1.00 27.27 N ATOM 552 H HIS A 224 5.615 8.844 108.154 1.00 0.00 H ATOM 553 N GLU A 225 8.022 7.471 109.493 1.00 25.80 N ATOM 554 CA GLU A 225 9.461 7.657 109.657 1.00 27.92 C ATOM 555 C GLU A 225 10.193 6.333 109.744 1.00 28.00 C ATOM 556 O GLU A 225 11.131 6.092 109.001 1.00 27.51 O ATOM 557 CB GLU A 225 9.746 8.466 110.922 1.00 32.02 C ATOM 558 CG GLU A 225 11.232 8.607 111.249 1.00 35.52 C ATOM 559 CD GLU A 225 11.474 9.255 112.601 1.00 39.35 C ATOM 560 OE1 GLU A 225 11.061 8.692 113.645 1.00 38.49 O ATOM 561 OE2 GLU A 225 12.090 10.336 112.608 1.00 38.76 O ATOM 562 H GLU A 225 7.378 7.951 110.154 1.00 0.00 H ATOM 563 N THR A 226 9.770 5.491 110.681 1.00 29.84 N ATOM 564 CA THR A 226 10.383 4.180 110.897 1.00 30.90 C ATOM 565 C THR A 226 10.400 3.316 109.642 1.00 30.41 C ATOM 566 O THR A 226 11.436 2.736 109.294 1.00 30.10 O ATOM 567 CB THR A 226 9.622 3.422 112.010 1.00 33.05 C ATOM 568 OG1 THR A 226 9.486 4.287 113.147 1.00 34.32 O ATOM 569 CG2 THR A 226 10.351 2.131 112.400 1.00 32.39 C ATOM 570 HG1 THR A 226 10.384 4.548 113.471 1.00 0.00 H ATOM 571 H THR A 226 8.972 5.775 111.284 1.00 0.00 H ATOM 572 N ALA A 227 9.253 3.221 108.971 1.00 26.86 N ATOM 573 CA ALA A 227 9.136 2.424 107.752 1.00 26.81 C ATOM 574 C ALA A 227 9.968 3.023 106.618 1.00 25.67 C ATOM 575 O ALA A 227 10.588 2.299 105.842 1.00 27.86 O ATOM 576 CB ALA A 227 7.678 2.273 107.339 1.00 25.97 C ATOM 577 H ALA A 227 8.417 3.729 109.325 1.00 0.00 H ATOM 578 N PHE A 228 9.984 4.346 106.528 1.00 24.72 N ATOM 579 CA PHE A 228 10.796 5.019 105.507 1.00 25.44 C ATOM 580 C PHE A 228 12.280 4.689 105.716 1.00 28.81 C ATOM 581 O PHE A 228 12.942 4.196 104.789 1.00 27.76 O ATOM 582 CB PHE A 228 10.547 6.521 105.511 1.00 23.52 C ATOM 583 CG PHE A 228 9.447 6.967 104.569 1.00 22.45 C ATOM 584 CD1 PHE A 228 8.288 6.218 104.416 1.00 24.14 C ATOM 585 CD2 PHE A 228 9.580 8.138 103.836 1.00 23.80 C ATOM 586 CE1 PHE A 228 7.279 6.627 103.556 1.00 24.79 C ATOM 587 CE2 PHE A 228 8.583 8.549 102.967 1.00 23.73 C ATOM 588 CZ PHE A 228 7.425 7.793 102.828 1.00 24.61 C ATOM 589 H PHE A 228 9.415 4.913 107.188 1.00 0.00 H ATOM 590 N GLN A 229 12.764 4.910 106.940 1.00 28.64 N ATOM 591 CA GLN A 229 14.162 4.616 107.310 1.00 31.74 C ATOM 592 C GLN A 229 14.519 3.153 107.014 1.00 31.53 C ATOM 593 O GLN A 229 15.572 2.877 106.437 1.00 31.98 O ATOM 594 CB GLN A 229 14.426 4.954 108.792 1.00 32.04 C ATOM 595 CG GLN A 229 14.477 6.450 109.106 1.00 38.41 C ATOM 596 CD GLN A 229 14.922 6.800 110.541 1.00 45.83 C ATOM 597 OE1 GLN A 229 15.769 6.119 111.145 1.00 46.05 O ATOM 598 NE2 GLN A 229 14.382 7.902 111.070 1.00 42.42 N ATOM 599 HE22 GLN A 229 13.676 8.445 110.533 1.00 0.00 H ATOM 600 HE21 GLN A 229 14.668 8.217 112.019 1.00 0.00 H ATOM 601 H GLN A 229 12.130 5.306 107.663 1.00 0.00 H ATOM 602 N GLY A 230 13.634 2.231 107.390 1.00 31.00 N ATOM 603 CA GLY A 230 13.826 0.796 107.153 1.00 32.66 C ATOM 604 C GLY A 230 13.956 0.427 105.684 1.00 33.09 C ATOM 605 O GLY A 230 14.840 -0.345 105.297 1.00 32.33 O ATOM 606 H GLY A 230 12.768 2.543 107.874 1.00 0.00 H ATOM 607 N MET A 231 13.095 1.003 104.851 1.00 31.48 N ATOM 608 CA MET A 231 13.162 0.765 103.402 1.00 32.85 C ATOM 609 C MET A 231 14.424 1.367 102.788 1.00 30.46 C ATOM 610 O MET A 231 15.042 0.732 101.931 1.00 34.86 O ATOM 611 CB MET A 231 11.911 1.320 102.705 1.00 31.39 C ATOM 612 CG MET A 231 11.868 1.128 101.192 1.00 29.53 C ATOM 613 SD MET A 231 11.979 -0.596 100.655 1.00 35.64 S ATOM 614 CE MET A 231 10.378 -1.212 101.162 1.00 36.09 C ATOM 615 H MET A 231 12.361 1.634 105.231 1.00 0.00 H ATOM 616 N LEU A 232 14.787 2.582 103.200 1.00 29.69 N ATOM 617 CA LEU A 232 16.011 3.235 102.709 1.00 31.01 C ATOM 618 C LEU A 232 17.223 2.352 103.012 1.00 36.23 C ATOM 619 O LEU A 232 18.029 2.067 102.124 1.00 35.01 O ATOM 620 CB LEU A 232 16.201 4.634 103.316 1.00 30.80 C ATOM 621 CG LEU A 232 17.385 5.485 102.801 1.00 32.63 C ATOM 622 CD1 LEU A 232 17.264 5.808 101.312 1.00 30.88 C ATOM 623 CD2 LEU A 232 17.534 6.778 103.595 1.00 32.89 C ATOM 624 H LEU A 232 14.188 3.082 103.888 1.00 0.00 H ATOM 625 N ARG A 233 17.328 1.883 104.249 1.00 37.37 N ATOM 626 CA ARG A 233 18.469 1.046 104.630 1.00 41.51 C ATOM 627 C ARG A 233 18.484 -0.240 103.820 1.00 39.28 C ATOM 628 O ARG A 233 19.543 -0.670 103.365 1.00 42.52 O ATOM 629 CB ARG A 233 18.474 0.739 106.131 1.00 46.05 C ATOM 630 CG ARG A 233 19.632 -0.172 106.525 1.00 51.66 C ATOM 631 CD ARG A 233 20.023 -0.061 107.990 1.00 56.09 C ATOM 632 NE ARG A 233 21.189 -0.902 108.280 1.00 55.66 N ATOM 633 CZ ARG A 233 21.163 -2.232 108.402 1.00 58.57 C ATOM 634 NH1 ARG A 233 20.028 -2.920 108.265 1.00 61.94 N ATOM 635 NH2 ARG A 233 22.287 -2.889 108.660 1.00 54.35 N ATOM 636 HE ARG A 233 22.106 -0.427 108.400 1.00 0.00 H ATOM 637 HH12 ARG A 233 20.032 -3.955 108.364 1.00 0.00 H ATOM 638 HH11 ARG A 233 19.139 -2.421 108.059 1.00 0.00 H ATOM 639 HH22 ARG A 233 22.274 -3.924 108.756 1.00 0.00 H ATOM 640 HH21 ARG A 233 23.181 -2.368 108.766 1.00 0.00 H ATOM 641 H ARG A 233 16.596 2.111 104.952 1.00 0.00 H ATOM 642 N LYS A 234 17.312 -0.832 103.606 1.00 39.37 N ATOM 643 CA LYS A 234 17.193 -2.037 102.793 1.00 39.32 C ATOM 644 C LYS A 234 17.628 -1.794 101.340 1.00 40.68 C ATOM 645 O LYS A 234 18.267 -2.658 100.728 1.00 41.84 O ATOM 646 CB LYS A 234 15.768 -2.591 102.843 1.00 42.38 C ATOM 647 CG LYS A 234 15.562 -3.807 101.954 1.00 47.15 C ATOM 648 CD LYS A 234 14.271 -4.552 102.251 1.00 53.04 C ATOM 649 CE LYS A 234 14.040 -5.650 101.218 1.00 57.68 C ATOM 650 NZ LYS A 234 12.767 -6.403 101.429 1.00 59.69 N ATOM 651 HZ1 LYS A 234 12.783 -6.853 102.366 1.00 0.00 H ATOM 652 HZ2 LYS A 234 11.963 -5.745 101.373 1.00 0.00 H ATOM 653 HZ3 LYS A 234 12.672 -7.133 100.694 1.00 0.00 H ATOM 654 H LYS A 234 16.455 -0.423 104.031 1.00 0.00 H ATOM 655 N LEU A 235 17.307 -0.622 100.798 1.00 34.58 N ATOM 656 CA LEU A 235 17.673 -0.288 99.414 1.00 37.47 C ATOM 657 C LEU A 235 19.188 -0.087 99.236 1.00 40.23 C ATOM 658 O LEU A 235 19.739 -0.410 98.178 1.00 39.60 O ATOM 659 CB LEU A 235 16.916 0.958 98.938 1.00 33.37 C ATOM 660 CG LEU A 235 15.402 0.799 98.784 1.00 30.29 C ATOM 661 CD1 LEU A 235 14.704 2.152 98.634 1.00 30.04 C ATOM 662 CD2 LEU A 235 15.083 -0.109 97.607 1.00 32.59 C ATOM 663 H LEU A 235 16.785 0.074 101.367 1.00 0.00 H ATOM 664 N ASP A 236 19.837 0.479 100.256 1.00 42.19 N ATOM 665 CA ASP A 236 21.301 0.660 100.283 1.00 46.17 C ATOM 666 C ASP A 236 21.825 1.454 99.078 1.00 45.46 C ATOM 667 O ASP A 236 22.537 0.920 98.224 1.00 49.59 O ATOM 668 CB ASP A 236 21.998 -0.705 100.386 1.00 46.63 C ATOM 669 CG ASP A 236 23.491 -0.590 100.684 1.00 52.64 C ATOM 670 OD1 ASP A 236 23.980 0.535 100.920 1.00 50.63 O ATOM 671 OD2 ASP A 236 24.174 -1.635 100.677 1.00 54.51 O ATOM 672 H ASP A 236 19.283 0.809 101.072 1.00 0.00 H ATOM 673 N ILE A 237 21.480 2.738 99.040 1.00 45.29 N ATOM 674 CA ILE A 237 21.751 3.610 97.892 1.00 43.12 C ATOM 675 C ILE A 237 23.075 4.350 98.097 1.00 46.79 C ATOM 676 O ILE A 237 23.211 5.191 99.003 1.00 46.85 O ATOM 677 CB ILE A 237 20.602 4.622 97.680 1.00 39.91 C ATOM 678 CG1 ILE A 237 19.268 3.888 97.545 1.00 36.42 C ATOM 679 CG2 ILE A 237 20.848 5.472 96.442 1.00 39.10 C ATOM 680 CD1 ILE A 237 18.058 4.797 97.653 1.00 34.37 C ATOM 681 H ILE A 237 20.994 3.144 99.865 1.00 0.00 H ATOM 682 N LYS A 238 24.055 4.019 97.258 1.00 52.78 N ATOM 683 CA LYS A 238 25.409 4.580 97.365 1.00 55.13 C ATOM 684 C LYS A 238 25.828 5.413 96.148 1.00 56.57 C ATOM 685 O LYS A 238 26.667 6.310 96.271 1.00 56.39 O ATOM 686 CB LYS A 238 26.419 3.449 97.566 1.00 56.39 C ATOM 687 CG LYS A 238 26.220 2.659 98.853 1.00 56.86 C ATOM 688 CD LYS A 238 26.830 1.268 98.770 1.00 57.71 C ATOM 689 CE LYS A 238 26.047 0.363 97.828 1.00 60.05 C ATOM 690 NZ LYS A 238 26.404 -1.072 97.993 1.00 62.96 N ATOM 691 HZ1 LYS A 238 27.417 -1.201 97.795 1.00 0.00 H ATOM 692 HZ2 LYS A 238 26.199 -1.369 98.968 1.00 0.00 H ATOM 693 HZ3 LYS A 238 25.844 -1.646 97.330 1.00 0.00 H ATOM 694 H LYS A 238 23.854 3.338 96.498 1.00 0.00 H ATOM 695 N ASN A 239 25.247 5.127 94.983 1.00 57.66 N ATOM 696 CA ASN A 239 25.746 5.685 93.727 1.00 59.01 C ATOM 697 C ASN A 239 24.717 5.664 92.596 1.00 59.07 C ATOM 698 O ASN A 239 23.594 5.192 92.773 1.00 56.04 O ATOM 699 CB ASN A 239 26.992 4.899 93.308 1.00 59.07 C ATOM 700 CG ASN A 239 26.721 3.415 93.161 1.00 57.31 C ATOM 701 OD1 ASN A 239 25.777 3.001 92.483 1.00 62.22 O ATOM 702 ND2 ASN A 239 27.556 2.604 93.786 1.00 54.20 N ATOM 703 HD22 ASN A 239 28.339 2.996 94.347 1.00 0.00 H ATOM 704 HD21 ASN A 239 27.430 1.574 93.717 1.00 0.00 H ATOM 705 H ASN A 239 24.422 4.494 94.967 1.00 0.00 H ATOM 706 N GLU A 240 25.130 6.169 91.434 1.00 58.78 N ATOM 707 CA GLU A 240 24.290 6.241 90.233 1.00 58.23 C ATOM 708 C GLU A 240 23.589 4.928 89.858 1.00 55.05 C ATOM 709 O GLU A 240 22.419 4.946 89.475 1.00 50.27 O ATOM 710 CB GLU A 240 25.139 6.719 89.051 1.00 61.79 C ATOM 711 CG GLU A 240 24.378 6.894 87.749 1.00 67.07 C ATOM 712 CD GLU A 240 25.274 7.332 86.606 1.00 71.52 C ATOM 713 OE1 GLU A 240 26.461 6.932 86.590 1.00 70.91 O ATOM 714 OE2 GLU A 240 24.786 8.072 85.722 1.00 74.11 O ATOM 715 H GLU A 240 26.103 6.533 91.375 1.00 0.00 H ATOM 716 N ASP A 241 24.303 3.806 89.955 1.00 50.64 N ATOM 717 CA ASP A 241 23.766 2.506 89.533 1.00 53.17 C ATOM 718 C ASP A 241 22.681 1.995 90.468 1.00 48.30 C ATOM 719 O ASP A 241 21.731 1.361 90.018 1.00 43.91 O ATOM 720 CB ASP A 241 24.877 1.456 89.431 1.00 57.53 C ATOM 721 CG ASP A 241 25.847 1.730 88.286 1.00 66.32 C ATOM 722 OD1 ASP A 241 25.516 2.523 87.371 1.00 64.57 O ATOM 723 OD2 ASP A 241 26.951 1.141 88.301 1.00 75.18 O ATOM 724 H ASP A 241 25.268 3.853 90.341 1.00 0.00 H ATOM 725 N ASP A 242 22.839 2.256 91.765 1.00 44.72 N ATOM 726 CA ASP A 242 21.793 1.950 92.744 1.00 43.78 C ATOM 727 C ASP A 242 20.545 2.800 92.486 1.00 39.22 C ATOM 728 O ASP A 242 19.429 2.298 92.578 1.00 43.55 O ATOM 729 CB ASP A 242 22.287 2.185 94.178 1.00 46.36 C ATOM 730 CG ASP A 242 23.418 1.241 94.581 1.00 48.07 C ATOM 731 OD1 ASP A 242 23.398 0.059 94.172 1.00 50.56 O ATOM 732 OD2 ASP A 242 24.319 1.688 95.324 1.00 50.23 O ATOM 733 H ASP A 242 23.727 2.688 92.091 1.00 0.00 H ATOM 734 N VAL A 243 20.739 4.073 92.159 1.00 37.66 N ATOM 735 CA VAL A 243 19.615 4.977 91.902 1.00 36.08 C ATOM 736 C VAL A 243 18.861 4.518 90.651 1.00 37.87 C ATOM 737 O VAL A 243 17.624 4.528 90.622 1.00 33.40 O ATOM 738 CB VAL A 243 20.068 6.437 91.768 1.00 38.15 C ATOM 739 CG1 VAL A 243 18.888 7.331 91.411 1.00 35.74 C ATOM 740 CG2 VAL A 243 20.734 6.906 93.066 1.00 35.67 C ATOM 741 H VAL A 243 21.711 4.436 92.084 1.00 0.00 H ATOM 742 N LYS A 244 19.606 4.064 89.642 1.00 36.34 N ATOM 743 CA LYS A 244 19.003 3.479 88.447 1.00 37.59 C ATOM 744 C LYS A 244 18.168 2.232 88.744 1.00 37.62 C ATOM 745 O LYS A 244 17.131 2.025 88.118 1.00 36.88 O ATOM 746 CB LYS A 244 20.082 3.160 87.405 1.00 39.69 C ATOM 747 CG LYS A 244 20.586 4.407 86.700 1.00 44.97 C ATOM 748 CD LYS A 244 21.637 4.108 85.637 1.00 50.96 C ATOM 749 CE LYS A 244 22.157 5.404 85.022 1.00 54.62 C ATOM 750 NZ LYS A 244 23.119 5.192 83.905 1.00 60.74 N ATOM 751 HZ1 LYS A 244 23.943 4.662 84.254 1.00 0.00 H ATOM 752 HZ2 LYS A 244 22.654 4.653 83.147 1.00 0.00 H ATOM 753 HZ3 LYS A 244 23.429 6.114 83.537 1.00 0.00 H ATOM 754 H LYS A 244 20.642 4.128 89.708 1.00 0.00 H ATOM 755 N SER A 245 18.608 1.412 89.698 1.00 36.92 N ATOM 756 CA SER A 245 17.904 0.169 90.036 1.00 38.62 C ATOM 757 C SER A 245 16.547 0.394 90.726 1.00 34.19 C ATOM 758 O SER A 245 15.763 -0.541 90.865 1.00 35.25 O ATOM 759 CB SER A 245 18.773 -0.718 90.927 1.00 42.89 C ATOM 760 OG SER A 245 18.824 -0.203 92.244 1.00 49.13 O ATOM 761 HG SER A 245 19.209 0.709 92.226 1.00 0.00 H ATOM 762 H SER A 245 19.474 1.660 90.217 1.00 0.00 H ATOM 763 N LEU A 246 16.283 1.623 91.159 1.00 32.07 N ATOM 764 CA LEU A 246 15.033 1.935 91.867 1.00 30.42 C ATOM 765 C LEU A 246 13.779 1.869 90.992 1.00 30.11 C ATOM 766 O LEU A 246 12.702 1.624 91.509 1.00 26.82 O ATOM 767 CB LEU A 246 15.117 3.311 92.513 1.00 30.19 C ATOM 768 CG LEU A 246 16.174 3.457 93.603 1.00 28.57 C ATOM 769 CD1 LEU A 246 16.208 4.904 94.060 1.00 27.71 C ATOM 770 CD2 LEU A 246 15.893 2.491 94.748 1.00 29.07 C ATOM 771 H LEU A 246 16.976 2.380 90.993 1.00 0.00 H ATOM 772 N SER A 247 13.897 2.094 89.688 1.00 31.79 N ATOM 773 CA SER A 247 12.723 2.005 88.816 1.00 31.59 C ATOM 774 C SER A 247 12.043 0.645 88.926 1.00 28.23 C ATOM 775 O SER A 247 10.830 0.565 89.068 1.00 26.64 O ATOM 776 CB SER A 247 13.090 2.289 87.359 1.00 36.23 C ATOM 777 OG SER A 247 13.553 3.620 87.232 1.00 42.51 O ATOM 778 HG SER A 247 13.789 3.797 86.287 1.00 0.00 H ATOM 779 H SER A 247 14.825 2.334 89.285 1.00 0.00 H ATOM 780 N ARG A 248 12.825 -0.421 88.882 1.00 27.69 N ATOM 781 CA ARG A 248 12.280 -1.769 89.037 1.00 28.73 C ATOM 782 C ARG A 248 11.546 -1.947 90.365 1.00 25.00 C ATOM 783 O ARG A 248 10.521 -2.613 90.435 1.00 24.65 O ATOM 784 CB ARG A 248 13.401 -2.817 88.927 1.00 33.78 C ATOM 785 CG ARG A 248 12.889 -4.241 88.999 1.00 43.19 C ATOM 786 CD ARG A 248 13.979 -5.305 89.008 1.00 50.46 C ATOM 787 NE ARG A 248 13.346 -6.620 89.129 1.00 60.09 N ATOM 788 CZ ARG A 248 13.985 -7.783 89.241 1.00 67.08 C ATOM 789 NH1 ARG A 248 15.319 -7.839 89.256 1.00 69.99 N ATOM 790 NH2 ARG A 248 13.272 -8.902 89.336 1.00 66.30 N ATOM 791 HE ARG A 248 12.306 -6.648 89.127 1.00 0.00 H ATOM 792 HH12 ARG A 248 15.800 -8.757 89.344 1.00 0.00 H ATOM 793 HH11 ARG A 248 15.877 -6.965 89.179 1.00 0.00 H ATOM 794 HH22 ARG A 248 13.754 -9.820 89.424 1.00 0.00 H ATOM 795 HH21 ARG A 248 12.233 -8.859 89.322 1.00 0.00 H ATOM 796 H ARG A 248 13.847 -0.298 88.734 1.00 0.00 H ATOM 797 N VAL A 249 12.097 -1.373 91.423 1.00 23.85 N ATOM 798 CA VAL A 249 11.511 -1.489 92.744 1.00 23.72 C ATOM 799 C VAL A 249 10.220 -0.670 92.808 1.00 22.24 C ATOM 800 O VAL A 249 9.224 -1.129 93.372 1.00 22.32 O ATOM 801 CB VAL A 249 12.498 -1.024 93.840 1.00 26.35 C ATOM 802 CG1 VAL A 249 11.893 -1.238 95.210 1.00 26.00 C ATOM 803 CG2 VAL A 249 13.822 -1.793 93.721 1.00 25.82 C ATOM 804 H VAL A 249 12.973 -0.825 91.304 1.00 0.00 H ATOM 805 N MET A 250 10.226 0.517 92.210 1.00 22.52 N ATOM 806 CA MET A 250 8.987 1.333 92.150 1.00 22.15 C ATOM 807 C MET A 250 7.850 0.610 91.406 1.00 22.75 C ATOM 808 O MET A 250 6.690 0.621 91.828 1.00 22.17 O ATOM 809 CB MET A 250 9.266 2.673 91.487 1.00 24.49 C ATOM 810 CG MET A 250 10.113 3.607 92.340 1.00 27.37 C ATOM 811 SD MET A 250 10.237 5.230 91.590 1.00 33.52 S ATOM 812 CE MET A 250 11.661 5.084 90.513 1.00 33.34 C ATOM 813 H MET A 250 11.103 0.876 91.782 1.00 0.00 H ATOM 814 N ILE A 251 8.177 0.007 90.275 1.00 23.31 N ATOM 815 CA ILE A 251 7.206 -0.784 89.522 1.00 24.00 C ATOM 816 C ILE A 251 6.653 -1.917 90.384 1.00 23.86 C ATOM 817 O ILE A 251 5.442 -2.136 90.445 1.00 25.19 O ATOM 818 CB ILE A 251 7.845 -1.328 88.218 1.00 27.03 C ATOM 819 CG1 ILE A 251 8.166 -0.178 87.246 1.00 27.88 C ATOM 820 CG2 ILE A 251 6.930 -2.312 87.531 1.00 26.88 C ATOM 821 CD1 ILE A 251 6.942 0.466 86.645 1.00 32.22 C ATOM 822 H ILE A 251 9.148 0.098 89.913 1.00 0.00 H ATOM 823 N HIS A 252 7.550 -2.620 91.068 1.00 22.74 N ATOM 824 CA HIS A 252 7.198 -3.712 91.965 1.00 23.91 C ATOM 825 C HIS A 252 6.263 -3.310 93.075 1.00 22.62 C ATOM 826 O HIS A 252 5.251 -3.966 93.288 1.00 26.75 O ATOM 827 CB HIS A 252 8.486 -4.307 92.535 1.00 28.14 C ATOM 828 CG HIS A 252 8.302 -5.597 93.283 1.00 33.64 C ATOM 829 ND1 HIS A 252 8.648 -6.784 92.762 1.00 41.87 N ATOM 830 CD2 HIS A 252 7.827 -5.853 94.563 1.00 40.02 C ATOM 831 CE1 HIS A 252 8.380 -7.757 93.656 1.00 38.86 C ATOM 832 NE2 HIS A 252 7.876 -7.185 94.753 1.00 38.09 N ATOM 833 H HIS A 252 8.555 -2.378 90.957 1.00 0.00 H ATOM 834 N VAL A 253 6.608 -2.245 93.801 1.00 20.06 N ATOM 835 CA VAL A 253 5.870 -1.827 94.977 1.00 20.83 C ATOM 836 C VAL A 253 4.685 -0.899 94.654 1.00 22.03 C ATOM 837 O VAL A 253 3.546 -1.175 95.066 1.00 21.25 O ATOM 838 CB VAL A 253 6.795 -1.168 96.006 1.00 21.71 C ATOM 839 CG1 VAL A 253 6.003 -0.597 97.173 1.00 21.95 C ATOM 840 CG2 VAL A 253 7.808 -2.193 96.496 1.00 22.53 C ATOM 841 H VAL A 253 7.440 -1.692 93.512 1.00 0.00 H ATOM 842 N PHE A 254 4.943 0.175 93.917 1.00 21.83 N ATOM 843 CA PHE A 254 3.888 1.151 93.624 1.00 21.57 C ATOM 844 C PHE A 254 2.922 0.669 92.543 1.00 22.42 C ATOM 845 O PHE A 254 1.703 0.635 92.769 1.00 21.87 O ATOM 846 CB PHE A 254 4.460 2.530 93.256 1.00 22.01 C ATOM 847 CG PHE A 254 3.426 3.459 92.686 1.00 20.95 C ATOM 848 CD1 PHE A 254 2.490 4.035 93.512 1.00 21.45 C ATOM 849 CD2 PHE A 254 3.326 3.659 91.320 1.00 21.57 C ATOM 850 CE1 PHE A 254 1.496 4.836 93.005 1.00 22.14 C ATOM 851 CE2 PHE A 254 2.328 4.466 90.798 1.00 21.67 C ATOM 852 CZ PHE A 254 1.431 5.073 91.649 1.00 21.45 C ATOM 853 H PHE A 254 5.902 0.326 93.544 1.00 0.00 H ATOM 854 N SER A 255 3.446 0.313 91.361 1.00 22.23 N ATOM 855 CA SER A 255 2.581 0.019 90.214 1.00 22.26 C ATOM 856 C SER A 255 1.711 -1.209 90.463 1.00 22.84 C ATOM 857 O SER A 255 0.527 -1.202 90.118 1.00 21.03 O ATOM 858 CB SER A 255 3.358 -0.146 88.898 1.00 23.86 C ATOM 859 OG SER A 255 4.082 1.029 88.583 1.00 22.33 O ATOM 860 HG SER A 255 3.453 1.787 88.487 1.00 0.00 H ATOM 861 H SER A 255 4.478 0.245 91.257 1.00 0.00 H ATOM 862 N ASP A 256 2.285 -2.233 91.082 1.00 22.22 N ATOM 863 CA ASP A 256 1.569 -3.484 91.322 1.00 22.49 C ATOM 864 C ASP A 256 0.790 -3.417 92.630 1.00 25.68 C ATOM 865 O ASP A 256 1.038 -4.152 93.569 1.00 25.59 O ATOM 866 CB ASP A 256 2.549 -4.647 91.329 1.00 23.95 C ATOM 867 CG ASP A 256 1.865 -5.996 91.274 1.00 27.31 C ATOM 868 OD1 ASP A 256 0.681 -6.076 90.886 1.00 27.76 O ATOM 869 OD2 ASP A 256 2.534 -6.987 91.620 1.00 27.35 O ATOM 870 H ASP A 256 3.270 -2.143 91.405 1.00 0.00 H ATOM 871 N GLY A 257 -0.178 -2.521 92.668 1.00 27.12 N ATOM 872 CA GLY A 257 -1.050 -2.383 93.822 1.00 27.97 C ATOM 873 C GLY A 257 -2.161 -1.423 93.466 1.00 27.26 C ATOM 874 O GLY A 257 -2.219 -0.916 92.350 1.00 27.58 O ATOM 875 H GLY A 257 -0.321 -1.896 91.849 1.00 0.00 H ATOM 876 N VAL A 258 -3.025 -1.139 94.429 1.00 26.74 N ATOM 877 CA VAL A 258 -4.193 -0.290 94.172 1.00 27.56 C ATOM 878 C VAL A 258 -3.746 1.133 93.896 1.00 27.44 C ATOM 879 O VAL A 258 -2.807 1.605 94.508 1.00 27.31 O ATOM 880 CB VAL A 258 -5.146 -0.272 95.378 1.00 30.17 C ATOM 881 CG1 VAL A 258 -6.387 0.549 95.054 1.00 34.32 C ATOM 882 CG2 VAL A 258 -5.539 -1.695 95.761 1.00 31.55 C ATOM 883 H VAL A 258 -2.873 -1.524 95.383 1.00 0.00 H ATOM 884 N THR A 259 -4.408 1.826 92.979 1.00 24.15 N ATOM 885 CA THR A 259 -4.039 3.215 92.703 1.00 24.86 C ATOM 886 C THR A 259 -4.987 4.130 93.452 1.00 24.20 C ATOM 887 O THR A 259 -6.205 4.017 93.315 1.00 24.19 O ATOM 888 CB THR A 259 -4.092 3.541 91.207 1.00 27.23 C ATOM 889 OG1 THR A 259 -3.392 2.516 90.496 1.00 28.32 O ATOM 890 CG2 THR A 259 -3.431 4.920 90.925 1.00 25.39 C ATOM 891 HG1 THR A 259 -3.825 1.642 90.668 1.00 0.00 H ATOM 892 H THR A 259 -5.190 1.382 92.456 1.00 0.00 H ATOM 893 N ASN A 260 -4.422 4.988 94.287 1.00 23.02 N ATOM 894 CA ASN A 260 -5.163 6.090 94.894 1.00 21.68 C ATOM 895 C ASN A 260 -4.183 7.202 95.191 1.00 23.44 C ATOM 896 O ASN A 260 -2.965 7.007 95.106 1.00 21.77 O ATOM 897 CB ASN A 260 -5.939 5.645 96.137 1.00 23.20 C ATOM 898 CG ASN A 260 -5.061 4.957 97.173 1.00 22.54 C ATOM 899 OD1 ASN A 260 -4.073 5.530 97.631 1.00 22.88 O ATOM 900 ND2 ASN A 260 -5.445 3.762 97.583 1.00 21.20 N ATOM 901 HD22 ASN A 260 -6.287 3.315 97.167 1.00 0.00 H ATOM 902 HD21 ASN A 260 -4.905 3.267 98.322 1.00 0.00 H ATOM 903 H ASN A 260 -3.415 4.873 94.519 1.00 0.00 H ATOM 904 N TRP A 261 -4.704 8.389 95.483 1.00 20.76 N ATOM 905 CA TRP A 261 -3.839 9.549 95.676 1.00 21.23 C ATOM 906 C TRP A 261 -2.856 9.364 96.816 1.00 21.10 C ATOM 907 O TRP A 261 -1.714 9.816 96.723 1.00 20.23 O ATOM 908 CB TRP A 261 -4.668 10.818 95.880 1.00 21.21 C ATOM 909 CG TRP A 261 -5.270 11.367 94.597 1.00 22.57 C ATOM 910 CD1 TRP A 261 -6.625 11.614 94.318 1.00 25.20 C ATOM 911 CD2 TRP A 261 -4.552 11.764 93.377 1.00 22.97 C ATOM 912 NE1 TRP A 261 -6.778 12.128 93.055 1.00 24.10 N ATOM 913 CE2 TRP A 261 -5.571 12.245 92.435 1.00 23.01 C ATOM 914 CE3 TRP A 261 -3.219 11.766 92.982 1.00 22.79 C ATOM 915 CZ2 TRP A 261 -5.238 12.696 91.167 1.00 23.64 C ATOM 916 CZ3 TRP A 261 -2.899 12.231 91.705 1.00 22.82 C ATOM 917 CH2 TRP A 261 -3.890 12.693 90.820 1.00 23.06 C ATOM 918 HE1 TRP A 261 -7.690 12.392 92.630 1.00 0.00 H ATOM 919 H TRP A 261 -5.735 8.492 95.575 1.00 0.00 H ATOM 920 N GLY A 262 -3.269 8.668 97.870 1.00 19.57 N ATOM 921 CA GLY A 262 -2.400 8.379 99.010 1.00 21.03 C ATOM 922 C GLY A 262 -1.138 7.634 98.595 1.00 21.64 C ATOM 923 O GLY A 262 -0.042 7.991 99.004 1.00 21.05 O ATOM 924 H GLY A 262 -4.247 8.315 97.885 1.00 0.00 H ATOM 925 N ARG A 263 -1.300 6.599 97.781 1.00 20.59 N ATOM 926 CA ARG A 263 -0.149 5.791 97.361 1.00 21.36 C ATOM 927 C ARG A 263 0.769 6.568 96.406 1.00 21.49 C ATOM 928 O ARG A 263 1.993 6.379 96.415 1.00 22.23 O ATOM 929 CB ARG A 263 -0.610 4.470 96.766 1.00 22.08 C ATOM 930 CG ARG A 263 -1.302 3.611 97.807 1.00 22.38 C ATOM 931 CD ARG A 263 -1.474 2.174 97.370 1.00 23.77 C ATOM 932 NE ARG A 263 -0.186 1.482 97.367 1.00 23.73 N ATOM 933 CZ ARG A 263 0.443 1.012 96.301 1.00 24.43 C ATOM 934 NH1 ARG A 263 1.612 0.403 96.480 1.00 25.33 N ATOM 935 NH2 ARG A 263 -0.076 1.106 95.064 1.00 24.29 N ATOM 936 HE ARG A 263 0.279 1.346 98.287 1.00 0.00 H ATOM 937 HH12 ARG A 263 2.131 0.023 95.663 1.00 0.00 H ATOM 938 HH11 ARG A 263 2.007 0.307 97.437 1.00 0.00 H ATOM 939 HH22 ARG A 263 0.447 0.725 94.250 1.00 0.00 H ATOM 940 HH21 ARG A 263 -1.001 1.560 94.921 1.00 0.00 H ATOM 941 H ARG A 263 -2.252 6.358 97.437 1.00 0.00 H ATOM 942 N ILE A 264 0.174 7.450 95.607 1.00 20.21 N ATOM 943 CA ILE A 264 0.931 8.362 94.753 1.00 19.22 C ATOM 944 C ILE A 264 1.746 9.351 95.597 1.00 20.91 C ATOM 945 O ILE A 264 2.916 9.636 95.298 1.00 19.85 O ATOM 946 CB ILE A 264 -0.017 9.085 93.755 1.00 19.58 C ATOM 947 CG1 ILE A 264 -0.535 8.075 92.714 1.00 21.16 C ATOM 948 CG2 ILE A 264 0.707 10.236 93.088 1.00 20.48 C ATOM 949 CD1 ILE A 264 -1.731 8.536 91.882 1.00 22.05 C ATOM 950 H ILE A 264 -0.865 7.492 95.590 1.00 0.00 H ATOM 951 N VAL A 265 1.137 9.878 96.654 1.00 20.00 N ATOM 952 CA VAL A 265 1.871 10.736 97.585 1.00 20.07 C ATOM 953 C VAL A 265 3.032 9.981 98.268 1.00 21.36 C ATOM 954 O VAL A 265 4.127 10.542 98.447 1.00 22.35 O ATOM 955 CB VAL A 265 0.937 11.399 98.627 1.00 21.57 C ATOM 956 CG1 VAL A 265 1.751 12.168 99.677 1.00 21.92 C ATOM 957 CG2 VAL A 265 -0.032 12.334 97.933 1.00 23.75 C ATOM 958 H VAL A 265 0.130 9.679 96.821 1.00 0.00 H ATOM 959 N THR A 266 2.824 8.715 98.612 1.00 21.54 N ATOM 960 CA THR A 266 3.910 7.931 99.211 1.00 22.84 C ATOM 961 C THR A 266 5.041 7.724 98.210 1.00 21.61 C ATOM 962 O THR A 266 6.220 7.833 98.558 1.00 22.04 O ATOM 963 CB THR A 266 3.426 6.578 99.720 1.00 23.27 C ATOM 964 OG1 THR A 266 2.460 6.811 100.761 1.00 25.78 O ATOM 965 CG2 THR A 266 4.621 5.743 100.230 1.00 23.38 C ATOM 966 HG1 THR A 266 1.700 7.330 100.395 1.00 0.00 H ATOM 967 H THR A 266 1.892 8.280 98.457 1.00 0.00 H ATOM 968 N LEU A 267 4.680 7.439 96.963 1.00 19.92 N ATOM 969 CA LEU A 267 5.675 7.286 95.903 1.00 18.99 C ATOM 970 C LEU A 267 6.549 8.527 95.818 1.00 20.20 C ATOM 971 O LEU A 267 7.790 8.437 95.816 1.00 21.52 O ATOM 972 CB LEU A 267 4.992 7.032 94.571 1.00 18.84 C ATOM 973 CG LEU A 267 5.837 7.065 93.307 1.00 19.11 C ATOM 974 CD1 LEU A 267 6.743 5.829 93.256 1.00 19.71 C ATOM 975 CD2 LEU A 267 4.980 7.170 92.044 1.00 19.44 C ATOM 976 H LEU A 267 3.671 7.323 96.737 1.00 0.00 H ATOM 977 N ILE A 268 5.902 9.686 95.733 1.00 19.59 N ATOM 978 CA ILE A 268 6.628 10.943 95.571 1.00 21.35 C ATOM 979 C ILE A 268 7.345 11.341 96.874 1.00 21.63 C ATOM 980 O ILE A 268 8.476 11.819 96.824 1.00 24.11 O ATOM 981 CB ILE A 268 5.703 12.088 95.091 1.00 21.38 C ATOM 982 CG1 ILE A 268 5.144 11.779 93.693 1.00 22.05 C ATOM 983 CG2 ILE A 268 6.468 13.420 95.113 1.00 22.64 C ATOM 984 CD1 ILE A 268 3.942 12.615 93.277 1.00 21.77 C ATOM 985 H ILE A 268 4.863 9.697 95.783 1.00 0.00 H ATOM 986 N SER A 269 6.716 11.109 98.030 1.00 21.65 N ATOM 987 CA SER A 269 7.306 11.481 99.337 1.00 23.19 C ATOM 988 C SER A 269 8.529 10.632 99.687 1.00 23.05 C ATOM 989 O SER A 269 9.516 11.132 100.254 1.00 23.88 O ATOM 990 CB SER A 269 6.274 11.350 100.453 1.00 26.14 C ATOM 991 OG SER A 269 5.202 12.245 100.211 1.00 34.25 O ATOM 992 HG SER A 269 4.780 12.026 99.343 1.00 0.00 H ATOM 993 H SER A 269 5.782 10.652 98.012 1.00 0.00 H ATOM 994 N PHE A 270 8.443 9.341 99.391 1.00 22.36 N ATOM 995 CA PHE A 270 9.612 8.473 99.531 1.00 21.82 C ATOM 996 C PHE A 270 10.712 8.916 98.556 1.00 22.92 C ATOM 997 O PHE A 270 11.898 8.875 98.887 1.00 23.08 O ATOM 998 CB PHE A 270 9.289 7.000 99.360 1.00 22.13 C ATOM 999 CG PHE A 270 10.418 6.113 99.810 1.00 21.92 C ATOM 1000 CD1 PHE A 270 10.653 5.909 101.152 1.00 23.15 C ATOM 1001 CD2 PHE A 270 11.282 5.553 98.888 1.00 21.87 C ATOM 1002 CE1 PHE A 270 11.717 5.128 101.575 1.00 25.40 C ATOM 1003 CE2 PHE A 270 12.332 4.766 99.293 1.00 23.18 C ATOM 1004 CZ PHE A 270 12.558 4.555 100.636 1.00 25.69 C ATOM 1005 H PHE A 270 7.541 8.945 99.058 1.00 0.00 H ATOM 1006 N GLY A 271 10.309 9.399 97.381 1.00 23.07 N ATOM 1007 CA GLY A 271 11.250 9.978 96.433 1.00 23.76 C ATOM 1008 C GLY A 271 12.017 11.140 97.030 1.00 22.90 C ATOM 1009 O GLY A 271 13.250 11.236 96.867 1.00 24.55 O ATOM 1010 H GLY A 271 9.299 9.361 97.136 1.00 0.00 H ATOM 1011 N ALA A 272 11.300 12.019 97.726 1.00 22.45 N ATOM 1012 CA ALA A 272 11.913 13.173 98.389 1.00 23.12 C ATOM 1013 C ALA A 272 12.856 12.702 99.480 1.00 24.54 C ATOM 1014 O ALA A 272 13.939 13.275 99.667 1.00 23.65 O ATOM 1015 CB ALA A 272 10.852 14.098 98.978 1.00 23.28 C ATOM 1016 H ALA A 272 10.272 11.882 97.802 1.00 0.00 H ATOM 1017 N PHE A 273 12.432 11.657 100.195 1.00 23.95 N ATOM 1018 CA PHE A 273 13.230 11.042 101.263 1.00 23.98 C ATOM 1019 C PHE A 273 14.543 10.505 100.697 1.00 25.10 C ATOM 1020 O PHE A 273 15.615 10.725 101.290 1.00 25.11 O ATOM 1021 CB PHE A 273 12.414 9.936 101.940 1.00 25.24 C ATOM 1022 CG PHE A 273 12.995 9.438 103.231 1.00 27.55 C ATOM 1023 CD1 PHE A 273 12.854 10.177 104.399 1.00 31.09 C ATOM 1024 CD2 PHE A 273 13.630 8.207 103.292 1.00 29.12 C ATOM 1025 CE1 PHE A 273 13.383 9.712 105.598 1.00 30.78 C ATOM 1026 CE2 PHE A 273 14.156 7.735 104.486 1.00 29.60 C ATOM 1027 CZ PHE A 273 14.030 8.492 105.639 1.00 30.06 C ATOM 1028 H PHE A 273 11.494 11.261 99.986 1.00 0.00 H ATOM 1029 N VAL A 274 14.471 9.851 99.539 1.00 23.99 N ATOM 1030 CA VAL A 274 15.668 9.357 98.841 1.00 25.96 C ATOM 1031 C VAL A 274 16.526 10.532 98.359 1.00 26.28 C ATOM 1032 O VAL A 274 17.743 10.504 98.493 1.00 28.10 O ATOM 1033 CB VAL A 274 15.315 8.414 97.667 1.00 25.40 C ATOM 1034 CG1 VAL A 274 16.558 8.056 96.845 1.00 29.26 C ATOM 1035 CG2 VAL A 274 14.659 7.149 98.184 1.00 25.01 C ATOM 1036 H VAL A 274 13.537 9.684 99.114 1.00 0.00 H ATOM 1037 N ALA A 275 15.896 11.575 97.826 1.00 25.85 N ATOM 1038 CA ALA A 275 16.641 12.736 97.338 1.00 27.31 C ATOM 1039 C ALA A 275 17.469 13.393 98.441 1.00 29.98 C ATOM 1040 O ALA A 275 18.646 13.738 98.229 1.00 30.88 O ATOM 1041 CB ALA A 275 15.702 13.756 96.723 1.00 26.33 C ATOM 1042 H ALA A 275 14.858 11.565 97.755 1.00 0.00 H ATOM 1043 N LYS A 276 16.851 13.584 99.602 1.00 27.59 N ATOM 1044 CA LYS A 276 17.544 14.132 100.769 1.00 28.96 C ATOM 1045 C LYS A 276 18.725 13.248 101.150 1.00 29.71 C ATOM 1046 O LYS A 276 19.801 13.750 101.495 1.00 30.37 O ATOM 1047 CB LYS A 276 16.583 14.289 101.947 1.00 30.07 C ATOM 1048 CG LYS A 276 15.610 15.455 101.770 1.00 31.17 C ATOM 1049 CD LYS A 276 14.810 15.742 103.030 1.00 36.54 C ATOM 1050 CE LYS A 276 13.668 14.764 103.220 1.00 37.31 C ATOM 1051 NZ LYS A 276 12.783 15.195 104.341 1.00 39.65 N ATOM 1052 HZ1 LYS A 276 13.336 15.240 105.220 1.00 0.00 H ATOM 1053 HZ2 LYS A 276 12.389 16.134 104.129 1.00 0.00 H ATOM 1054 HZ3 LYS A 276 12.008 14.510 104.452 1.00 0.00 H ATOM 1055 H LYS A 276 15.844 13.337 99.684 1.00 0.00 H ATOM 1056 N HIS A 277 18.541 11.942 101.048 1.00 29.25 N ATOM 1057 CA HIS A 277 19.643 11.008 101.303 1.00 32.43 C ATOM 1058 C HIS A 277 20.765 11.157 100.299 1.00 35.69 C ATOM 1059 O HIS A 277 21.944 11.096 100.667 1.00 35.75 O ATOM 1060 CB HIS A 277 19.141 9.582 101.331 1.00 32.79 C ATOM 1061 CG HIS A 277 20.231 8.556 101.273 1.00 37.40 C ATOM 1062 ND1 HIS A 277 20.978 8.241 102.342 1.00 36.58 N ATOM 1063 CD2 HIS A 277 20.702 7.781 100.218 1.00 39.69 C ATOM 1064 CE1 HIS A 277 21.877 7.301 101.992 1.00 38.14 C ATOM 1065 NE2 HIS A 277 21.706 7.023 100.694 1.00 40.59 N ATOM 1066 H HIS A 277 17.605 11.573 100.784 1.00 0.00 H ATOM 1067 N LEU A 278 20.414 11.366 99.032 1.00 32.74 N ATOM 1068 CA LEU A 278 21.421 11.582 97.985 1.00 36.29 C ATOM 1069 C LEU A 278 22.216 12.875 98.227 1.00 35.41 C ATOM 1070 O LEU A 278 23.416 12.916 97.981 1.00 37.43 O ATOM 1071 CB LEU A 278 20.779 11.582 96.588 1.00 35.14 C ATOM 1072 CG LEU A 278 20.141 10.264 96.139 1.00 36.26 C ATOM 1073 CD1 LEU A 278 19.351 10.441 94.843 1.00 33.00 C ATOM 1074 CD2 LEU A 278 21.177 9.161 95.972 1.00 37.97 C ATOM 1075 H LEU A 278 19.405 11.377 98.778 1.00 0.00 H ATOM 1076 N LYS A 279 21.547 13.923 98.697 1.00 36.27 N ATOM 1077 CA LYS A 279 22.217 15.154 99.119 1.00 40.85 C ATOM 1078 C LYS A 279 23.231 14.861 100.222 1.00 43.85 C ATOM 1079 O LYS A 279 24.361 15.354 100.165 1.00 42.69 O ATOM 1080 CB LYS A 279 21.186 16.176 99.624 1.00 46.13 C ATOM 1081 CG LYS A 279 21.752 17.461 100.216 1.00 48.57 C ATOM 1082 CD LYS A 279 22.270 18.383 99.131 1.00 54.97 C ATOM 1083 CE LYS A 279 22.639 19.759 99.664 1.00 56.87 C ATOM 1084 NZ LYS A 279 22.551 20.779 98.578 1.00 61.55 N ATOM 1085 HZ1 LYS A 279 23.207 20.525 97.812 1.00 0.00 H ATOM 1086 HZ2 LYS A 279 21.579 20.808 98.209 1.00 0.00 H ATOM 1087 HZ3 LYS A 279 22.806 21.712 98.959 1.00 0.00 H ATOM 1088 H LYS A 279 20.511 13.866 98.767 1.00 0.00 H ATOM 1089 N THR A 280 22.826 14.063 101.214 1.00 41.69 N ATOM 1090 CA THR A 280 23.685 13.759 102.373 1.00 42.16 C ATOM 1091 C THR A 280 24.928 12.964 101.973 1.00 44.53 C ATOM 1092 O THR A 280 26.012 13.224 102.503 1.00 46.87 O ATOM 1093 CB THR A 280 22.956 12.988 103.507 1.00 42.30 C ATOM 1094 OG1 THR A 280 22.719 11.630 103.116 1.00 48.57 O ATOM 1095 CG2 THR A 280 21.649 13.662 103.875 1.00 39.68 C ATOM 1096 HG1 THR A 280 22.156 11.616 102.302 1.00 0.00 H ATOM 1097 H THR A 280 21.876 13.643 101.167 1.00 0.00 H ATOM 1098 N ILE A 281 24.786 11.999 101.063 1.00 43.97 N ATOM 1099 CA ILE A 281 25.966 11.306 100.520 1.00 44.79 C ATOM 1100 C ILE A 281 26.595 12.049 99.308 1.00 45.92 C ATOM 1101 O ILE A 281 27.315 11.452 98.513 1.00 50.67 O ATOM 1102 CB ILE A 281 25.703 9.801 100.229 1.00 43.03 C ATOM 1103 CG1 ILE A 281 24.713 9.588 99.081 1.00 39.66 C ATOM 1104 CG2 ILE A 281 25.193 9.087 101.476 1.00 43.33 C ATOM 1105 CD1 ILE A 281 24.415 8.126 98.845 1.00 38.87 C ATOM 1106 H ILE A 281 23.835 11.734 100.735 1.00 0.00 H ATOM 1107 N ASN A 282 26.340 13.353 99.187 1.00 49.80 N ATOM 1108 CA ASN A 282 26.982 14.203 98.165 1.00 57.12 C ATOM 1109 C ASN A 282 26.751 13.752 96.706 1.00 55.80 C ATOM 1110 O ASN A 282 27.574 14.032 95.825 1.00 49.61 O ATOM 1111 CB ASN A 282 28.495 14.312 98.461 1.00 63.91 C ATOM 1112 CG ASN A 282 29.137 15.548 97.849 1.00 68.48 C ATOM 1113 OD1 ASN A 282 28.463 16.533 97.542 1.00 79.16 O ATOM 1114 ND2 ASN A 282 30.457 15.505 97.680 1.00 72.55 N ATOM 1115 HD22 ASN A 282 30.989 14.654 97.952 1.00 0.00 H ATOM 1116 HD21 ASN A 282 30.956 16.323 97.275 1.00 0.00 H ATOM 1117 H ASN A 282 25.659 13.790 99.841 1.00 0.00 H ATOM 1118 N GLN A 283 25.626 13.072 96.460 1.00 50.88 N ATOM 1119 CA GLN A 283 25.255 12.587 95.123 1.00 48.06 C ATOM 1120 C GLN A 283 24.071 13.368 94.562 1.00 42.34 C ATOM 1121 O GLN A 283 23.157 12.770 93.982 1.00 42.05 O ATOM 1122 CB GLN A 283 24.880 11.104 95.182 1.00 50.41 C ATOM 1123 CG GLN A 283 25.999 10.185 95.617 1.00 57.34 C ATOM 1124 CD GLN A 283 27.017 9.981 94.524 1.00 62.82 C ATOM 1125 OE1 GLN A 283 26.744 9.307 93.529 1.00 61.54 O ATOM 1126 NE2 GLN A 283 28.199 10.570 94.696 1.00 65.99 N ATOM 1127 HE22 GLN A 283 28.382 11.129 95.554 1.00 0.00 H ATOM 1128 HE21 GLN A 283 28.940 10.471 93.973 1.00 0.00 H ATOM 1129 H GLN A 283 24.982 12.877 97.253 1.00 0.00 H ATOM 1130 N GLU A 284 24.091 14.692 94.727 1.00 40.36 N ATOM 1131 CA GLU A 284 22.994 15.561 94.280 1.00 44.55 C ATOM 1132 C GLU A 284 22.670 15.430 92.801 1.00 43.21 C ATOM 1133 O GLU A 284 21.538 15.696 92.400 1.00 42.08 O ATOM 1134 CB GLU A 284 23.304 17.034 94.552 1.00 52.50 C ATOM 1135 CG GLU A 284 23.233 17.453 96.004 1.00 60.50 C ATOM 1136 CD GLU A 284 23.645 18.903 96.196 1.00 65.72 C ATOM 1137 OE1 GLU A 284 24.703 19.142 96.819 1.00 68.04 O ATOM 1138 OE2 GLU A 284 22.914 19.800 95.718 1.00 69.16 O ATOM 1139 H GLU A 284 24.915 15.126 95.190 1.00 0.00 H ATOM 1140 N SER A 285 23.659 15.044 91.995 1.00 37.72 N ATOM 1141 CA SER A 285 23.475 14.948 90.549 1.00 37.60 C ATOM 1142 C SER A 285 22.476 13.866 90.156 1.00 33.20 C ATOM 1143 O SER A 285 21.946 13.905 89.052 1.00 35.13 O ATOM 1144 CB SER A 285 24.810 14.676 89.854 1.00 38.42 C ATOM 1145 OG SER A 285 25.357 13.459 90.320 1.00 44.27 O ATOM 1146 HG SER A 285 26.220 13.291 89.865 1.00 0.00 H ATOM 1147 H SER A 285 24.584 14.805 92.406 1.00 0.00 H ATOM 1148 N CYS A 286 22.233 12.902 91.043 1.00 33.10 N ATOM 1149 CA CYS A 286 21.276 11.823 90.764 1.00 30.71 C ATOM 1150 C CYS A 286 19.821 12.190 91.060 1.00 30.34 C ATOM 1151 O CYS A 286 18.922 11.388 90.783 1.00 30.64 O ATOM 1152 CB CYS A 286 21.641 10.565 91.540 1.00 31.24 C ATOM 1153 SG CYS A 286 23.080 9.713 90.872 1.00 31.24 S ATOM 1154 H CYS A 286 22.733 12.914 91.955 1.00 0.00 H ATOM 1155 N ILE A 287 19.585 13.379 91.601 1.00 28.21 N ATOM 1156 CA ILE A 287 18.241 13.784 91.999 1.00 29.56 C ATOM 1157 C ILE A 287 17.323 13.987 90.800 1.00 32.42 C ATOM 1158 O ILE A 287 16.181 13.511 90.798 1.00 29.23 O ATOM 1159 CB ILE A 287 18.270 15.031 92.906 1.00 29.92 C ATOM 1160 CG1 ILE A 287 18.920 14.649 94.236 1.00 31.58 C ATOM 1161 CG2 ILE A 287 16.870 15.588 93.150 1.00 27.99 C ATOM 1162 CD1 ILE A 287 19.000 15.782 95.239 1.00 31.22 C ATOM 1163 H ILE A 287 20.377 14.038 91.745 1.00 0.00 H ATOM 1164 N GLU A 288 17.797 14.684 89.771 1.00 33.31 N ATOM 1165 CA GLU A 288 16.927 14.914 88.620 1.00 34.57 C ATOM 1166 C GLU A 288 16.634 13.615 87.858 1.00 32.92 C ATOM 1167 O GLU A 288 15.489 13.391 87.473 1.00 28.67 O ATOM 1168 CB GLU A 288 17.445 16.057 87.737 1.00 40.15 C ATOM 1169 CG GLU A 288 17.268 17.404 88.450 1.00 45.99 C ATOM 1170 CD GLU A 288 17.585 18.618 87.595 1.00 52.20 C ATOM 1171 OE1 GLU A 288 17.253 18.615 86.390 1.00 62.93 O ATOM 1172 OE2 GLU A 288 18.143 19.595 88.145 1.00 58.65 O ATOM 1173 H GLU A 288 18.767 15.058 89.785 1.00 0.00 H ATOM 1174 N PRO A 289 17.648 12.741 87.671 1.00 29.90 N ATOM 1175 CA PRO A 289 17.360 11.421 87.104 1.00 30.21 C ATOM 1176 C PRO A 289 16.331 10.639 87.915 1.00 30.84 C ATOM 1177 O PRO A 289 15.482 9.942 87.338 1.00 29.09 O ATOM 1178 CB PRO A 289 18.710 10.696 87.168 1.00 32.54 C ATOM 1179 CG PRO A 289 19.735 11.773 87.206 1.00 33.99 C ATOM 1180 CD PRO A 289 19.092 13.051 87.646 1.00 33.94 C ATOM 1181 N LEU A 290 16.420 10.738 89.242 1.00 29.71 N ATOM 1182 CA LEU A 290 15.482 10.034 90.115 1.00 28.78 C ATOM 1183 C LEU A 290 14.063 10.586 89.888 1.00 27.84 C ATOM 1184 O LEU A 290 13.083 9.822 89.811 1.00 25.95 O ATOM 1185 CB LEU A 290 15.910 10.178 91.575 1.00 28.11 C ATOM 1186 CG LEU A 290 14.962 9.695 92.674 1.00 30.45 C ATOM 1187 CD1 LEU A 290 14.857 8.181 92.640 1.00 29.69 C ATOM 1188 CD2 LEU A 290 15.424 10.176 94.036 1.00 30.35 C ATOM 1189 H LEU A 290 17.168 11.325 89.662 1.00 0.00 H ATOM 1190 N ALA A 291 13.957 11.905 89.775 1.00 27.20 N ATOM 1191 CA ALA A 291 12.659 12.541 89.559 1.00 26.54 C ATOM 1192 C ALA A 291 12.065 12.066 88.239 1.00 27.75 C ATOM 1193 O ALA A 291 10.872 11.785 88.146 1.00 25.44 O ATOM 1194 CB ALA A 291 12.778 14.049 89.587 1.00 28.00 C ATOM 1195 H ALA A 291 14.811 12.495 89.841 1.00 0.00 H ATOM 1196 N GLU A 292 12.914 11.921 87.230 1.00 25.58 N ATOM 1197 CA GLU A 292 12.465 11.436 85.940 1.00 27.20 C ATOM 1198 C GLU A 292 11.971 10.001 86.050 1.00 24.46 C ATOM 1199 O GLU A 292 10.964 9.652 85.443 1.00 24.92 O ATOM 1200 CB GLU A 292 13.606 11.527 84.924 1.00 31.73 C ATOM 1201 CG GLU A 292 13.225 11.224 83.492 1.00 38.64 C ATOM 1202 CD GLU A 292 14.387 11.492 82.548 1.00 45.38 C ATOM 1203 OE1 GLU A 292 15.367 10.717 82.578 1.00 51.01 O ATOM 1204 OE2 GLU A 292 14.319 12.488 81.800 1.00 48.56 O ATOM 1205 H GLU A 292 13.917 12.159 87.367 1.00 0.00 H ATOM 1206 N SER A 293 12.681 9.171 86.816 1.00 24.32 N ATOM 1207 CA SER A 293 12.298 7.769 86.995 1.00 24.85 C ATOM 1208 C SER A 293 10.942 7.641 87.683 1.00 21.65 C ATOM 1209 O SER A 293 10.099 6.831 87.269 1.00 23.19 O ATOM 1210 CB SER A 293 13.357 7.014 87.803 1.00 28.15 C ATOM 1211 OG SER A 293 14.511 6.849 87.001 1.00 35.08 O ATOM 1212 HG SER A 293 14.859 7.738 86.739 1.00 0.00 H ATOM 1213 H SER A 293 13.529 9.529 87.299 1.00 0.00 H ATOM 1214 N ILE A 294 10.748 8.430 88.733 1.00 21.77 N ATOM 1215 CA ILE A 294 9.483 8.451 89.473 1.00 21.89 C ATOM 1216 C ILE A 294 8.350 8.885 88.538 1.00 21.62 C ATOM 1217 O ILE A 294 7.277 8.258 88.499 1.00 21.20 O ATOM 1218 CB ILE A 294 9.539 9.411 90.676 1.00 23.47 C ATOM 1219 CG1 ILE A 294 10.503 8.905 91.758 1.00 23.54 C ATOM 1220 CG2 ILE A 294 8.146 9.608 91.279 1.00 21.29 C ATOM 1221 CD1 ILE A 294 10.777 9.958 92.824 1.00 24.52 C ATOM 1222 H ILE A 294 11.520 9.055 89.041 1.00 0.00 H ATOM 1223 N THR A 295 8.592 9.955 87.794 1.00 21.35 N ATOM 1224 CA THR A 295 7.604 10.474 86.839 1.00 21.53 C ATOM 1225 C THR A 295 7.266 9.416 85.788 1.00 22.56 C ATOM 1226 O THR A 295 6.094 9.253 85.426 1.00 22.33 O ATOM 1227 CB THR A 295 8.102 11.762 86.156 1.00 23.12 C ATOM 1228 OG1 THR A 295 8.454 12.735 87.155 1.00 22.47 O ATOM 1229 CG2 THR A 295 7.014 12.365 85.268 1.00 22.17 C ATOM 1230 HG1 THR A 295 9.171 12.370 87.731 1.00 0.00 H ATOM 1231 H THR A 295 9.507 10.441 87.889 1.00 0.00 H ATOM 1232 N ASP A 296 8.281 8.688 85.305 1.00 21.02 N ATOM 1233 CA ASP A 296 8.051 7.637 84.304 1.00 22.44 C ATOM 1234 C ASP A 296 7.141 6.565 84.857 1.00 20.99 C ATOM 1235 O ASP A 296 6.165 6.182 84.212 1.00 22.32 O ATOM 1236 CB ASP A 296 9.356 7.004 83.838 1.00 22.13 C ATOM 1237 CG ASP A 296 10.146 7.892 82.877 1.00 27.18 C ATOM 1238 OD1 ASP A 296 9.587 8.804 82.243 1.00 28.10 O ATOM 1239 OD2 ASP A 296 11.361 7.652 82.749 1.00 33.30 O ATOM 1240 H ASP A 296 9.247 8.869 85.644 1.00 0.00 H ATOM 1241 N VAL A 297 7.445 6.082 86.057 1.00 21.57 N ATOM 1242 CA VAL A 297 6.605 5.066 86.685 1.00 22.04 C ATOM 1243 C VAL A 297 5.161 5.582 86.878 1.00 22.32 C ATOM 1244 O VAL A 297 4.178 4.885 86.555 1.00 22.96 O ATOM 1245 CB VAL A 297 7.209 4.602 88.022 1.00 24.46 C ATOM 1246 CG1 VAL A 297 6.217 3.744 88.798 1.00 26.61 C ATOM 1247 CG2 VAL A 297 8.520 3.851 87.776 1.00 25.57 C ATOM 1248 H VAL A 297 8.289 6.431 86.554 1.00 0.00 H ATOM 1249 N LEU A 298 5.025 6.797 87.390 1.00 19.85 N ATOM 1250 CA LEU A 298 3.699 7.317 87.717 1.00 20.37 C ATOM 1251 C LEU A 298 2.872 7.484 86.449 1.00 20.53 C ATOM 1252 O LEU A 298 1.793 6.909 86.306 1.00 22.35 O ATOM 1253 CB LEU A 298 3.815 8.647 88.451 1.00 19.84 C ATOM 1254 CG LEU A 298 2.501 9.380 88.729 1.00 20.47 C ATOM 1255 CD1 LEU A 298 1.552 8.515 89.564 1.00 21.77 C ATOM 1256 CD2 LEU A 298 2.809 10.686 89.449 1.00 22.40 C ATOM 1257 H LEU A 298 5.867 7.384 87.560 1.00 0.00 H ATOM 1258 N VAL A 299 3.402 8.254 85.507 1.00 19.33 N ATOM 1259 CA VAL A 299 2.649 8.590 84.326 1.00 19.75 C ATOM 1260 C VAL A 299 2.497 7.410 83.353 1.00 21.09 C ATOM 1261 O VAL A 299 1.406 7.179 82.831 1.00 21.77 O ATOM 1262 CB VAL A 299 3.234 9.852 83.638 1.00 18.84 C ATOM 1263 CG1 VAL A 299 2.445 10.245 82.395 1.00 21.12 C ATOM 1264 CG2 VAL A 299 3.224 11.044 84.604 1.00 20.56 C ATOM 1265 H VAL A 299 4.369 8.618 85.623 1.00 0.00 H ATOM 1266 N ARG A 300 3.571 6.660 83.119 1.00 22.48 N ATOM 1267 CA ARG A 300 3.545 5.641 82.094 1.00 23.83 C ATOM 1268 C ARG A 300 2.820 4.376 82.543 1.00 22.67 C ATOM 1269 O ARG A 300 2.331 3.648 81.688 1.00 24.73 O ATOM 1270 CB ARG A 300 4.951 5.401 81.519 1.00 24.59 C ATOM 1271 CG ARG A 300 5.527 6.732 81.035 1.00 30.31 C ATOM 1272 CD ARG A 300 6.677 6.638 80.069 1.00 36.49 C ATOM 1273 NE ARG A 300 7.289 7.946 79.815 1.00 39.46 N ATOM 1274 CZ ARG A 300 6.797 8.900 79.010 1.00 40.76 C ATOM 1275 NH1 ARG A 300 5.646 8.750 78.367 1.00 40.34 N ATOM 1276 NH2 ARG A 300 7.465 10.039 78.867 1.00 42.08 N ATOM 1277 HE ARG A 300 8.184 8.153 80.302 1.00 0.00 H ATOM 1278 HH12 ARG A 300 5.292 9.509 77.750 1.00 0.00 H ATOM 1279 HH11 ARG A 300 5.098 7.874 78.480 1.00 0.00 H ATOM 1280 HH22 ARG A 300 7.093 10.785 78.246 1.00 0.00 H ATOM 1281 HH21 ARG A 300 8.360 10.184 79.376 1.00 0.00 H ATOM 1282 H ARG A 300 4.436 6.808 83.678 1.00 0.00 H ATOM 1283 N THR A 301 2.693 4.143 83.852 1.00 22.24 N ATOM 1284 CA THR A 301 1.932 2.989 84.335 1.00 22.29 C ATOM 1285 C THR A 301 0.522 3.307 84.826 1.00 22.28 C ATOM 1286 O THR A 301 -0.292 2.384 84.946 1.00 22.76 O ATOM 1287 CB THR A 301 2.697 2.142 85.403 1.00 21.77 C ATOM 1288 OG1 THR A 301 2.724 2.795 86.680 1.00 21.51 O ATOM 1289 CG2 THR A 301 4.119 1.846 84.939 1.00 22.51 C ATOM 1290 HG1 THR A 301 3.178 3.670 86.592 1.00 0.00 H ATOM 1291 H THR A 301 3.139 4.788 84.535 1.00 0.00 H ATOM 1292 N LYS A 302 0.202 4.583 85.080 1.00 21.56 N ATOM 1293 CA LYS A 302 -1.110 4.936 85.642 1.00 22.23 C ATOM 1294 C LYS A 302 -1.820 6.061 84.890 1.00 21.45 C ATOM 1295 O LYS A 302 -2.676 6.752 85.459 1.00 22.68 O ATOM 1296 CB LYS A 302 -0.981 5.343 87.117 1.00 23.43 C ATOM 1297 CG LYS A 302 -0.319 4.322 88.033 1.00 23.66 C ATOM 1298 CD LYS A 302 -1.119 3.027 88.117 1.00 24.80 C ATOM 1299 CE LYS A 302 -0.373 2.001 88.974 1.00 27.86 C ATOM 1300 NZ LYS A 302 -0.948 0.639 88.792 1.00 29.58 N ATOM 1301 HZ1 LYS A 302 -1.949 0.646 89.073 1.00 0.00 H ATOM 1302 HZ2 LYS A 302 -0.870 0.362 87.793 1.00 0.00 H ATOM 1303 HZ3 LYS A 302 -0.425 -0.038 89.383 1.00 0.00 H ATOM 1304 H LYS A 302 0.892 5.335 84.877 1.00 0.00 H ATOM 1305 N ARG A 303 -1.471 6.258 83.622 1.00 23.54 N ATOM 1306 CA ARG A 303 -2.058 7.358 82.859 1.00 24.78 C ATOM 1307 C ARG A 303 -3.583 7.333 82.849 1.00 23.38 C ATOM 1308 O ARG A 303 -4.218 8.378 83.034 1.00 25.43 O ATOM 1309 CB ARG A 303 -1.566 7.392 81.417 1.00 25.85 C ATOM 1310 CG ARG A 303 -2.077 8.637 80.674 1.00 25.21 C ATOM 1311 CD ARG A 303 -1.623 8.722 79.221 1.00 28.03 C ATOM 1312 NE ARG A 303 -0.169 8.721 79.050 1.00 26.39 N ATOM 1313 CZ ARG A 303 0.611 9.802 79.036 1.00 27.04 C ATOM 1314 NH1 ARG A 303 0.109 11.021 79.247 1.00 28.10 N ATOM 1315 NH2 ARG A 303 1.912 9.656 78.841 1.00 24.49 N ATOM 1316 HE ARG A 303 0.295 7.798 78.929 1.00 0.00 H ATOM 1317 HH12 ARG A 303 0.735 11.851 79.232 1.00 0.00 H ATOM 1318 HH11 ARG A 303 -0.908 11.140 79.427 1.00 0.00 H ATOM 1319 HH22 ARG A 303 2.533 10.490 78.828 1.00 0.00 H ATOM 1320 HH21 ARG A 303 2.314 8.707 78.701 1.00 0.00 H ATOM 1321 H ARG A 303 -0.778 5.627 83.171 1.00 0.00 H ATOM 1322 N ASP A 304 -4.164 6.155 82.623 1.00 24.74 N ATOM 1323 CA ASP A 304 -5.628 6.021 82.562 1.00 28.76 C ATOM 1324 C ASP A 304 -6.300 6.511 83.838 1.00 25.49 C ATOM 1325 O ASP A 304 -7.274 7.266 83.790 1.00 24.13 O ATOM 1326 CB ASP A 304 -6.023 4.561 82.317 1.00 33.86 C ATOM 1327 CG ASP A 304 -5.669 4.088 80.921 1.00 41.35 C ATOM 1328 OD1 ASP A 304 -5.848 4.868 79.963 1.00 49.66 O ATOM 1329 OD2 ASP A 304 -5.227 2.931 80.780 1.00 52.72 O ATOM 1330 H ASP A 304 -3.570 5.312 82.487 1.00 0.00 H ATOM 1331 N TRP A 305 -5.766 6.084 84.978 1.00 24.05 N ATOM 1332 CA TRP A 305 -6.296 6.485 86.266 1.00 22.66 C ATOM 1333 C TRP A 305 -6.109 7.958 86.487 1.00 22.94 C ATOM 1334 O TRP A 305 -7.043 8.652 86.890 1.00 24.06 O ATOM 1335 CB TRP A 305 -5.636 5.691 87.386 1.00 24.78 C ATOM 1336 CG TRP A 305 -6.273 5.890 88.741 1.00 24.41 C ATOM 1337 CD1 TRP A 305 -7.253 5.097 89.352 1.00 26.05 C ATOM 1338 CD2 TRP A 305 -5.973 6.942 89.721 1.00 23.82 C ATOM 1339 NE1 TRP A 305 -7.581 5.583 90.584 1.00 25.10 N ATOM 1340 CE2 TRP A 305 -6.841 6.683 90.877 1.00 24.30 C ATOM 1341 CE3 TRP A 305 -5.104 8.017 89.759 1.00 22.74 C ATOM 1342 CZ2 TRP A 305 -6.831 7.488 91.998 1.00 23.15 C ATOM 1343 CZ3 TRP A 305 -5.110 8.838 90.899 1.00 22.39 C ATOM 1344 CH2 TRP A 305 -5.936 8.563 91.997 1.00 22.89 C ATOM 1345 HE1 TRP A 305 -8.299 5.168 91.212 1.00 0.00 H ATOM 1346 H TRP A 305 -4.946 5.445 84.945 1.00 0.00 H ATOM 1347 N LEU A 306 -4.910 8.455 86.194 1.00 21.93 N ATOM 1348 CA LEU A 306 -4.616 9.878 86.359 1.00 20.82 C ATOM 1349 C LEU A 306 -5.581 10.726 85.538 1.00 21.75 C ATOM 1350 O LEU A 306 -6.104 11.698 86.042 1.00 22.08 O ATOM 1351 CB LEU A 306 -3.169 10.196 85.966 1.00 21.46 C ATOM 1352 CG LEU A 306 -2.103 9.700 86.951 1.00 19.50 C ATOM 1353 CD1 LEU A 306 -0.716 9.723 86.321 1.00 21.22 C ATOM 1354 CD2 LEU A 306 -2.116 10.480 88.269 1.00 21.95 C ATOM 1355 H LEU A 306 -4.167 7.819 85.841 1.00 0.00 H ATOM 1356 N VAL A 307 -5.806 10.353 84.285 1.00 22.63 N ATOM 1357 CA VAL A 307 -6.719 11.120 83.422 1.00 24.80 C ATOM 1358 C VAL A 307 -8.150 11.088 83.982 1.00 25.45 C ATOM 1359 O VAL A 307 -8.812 12.134 84.076 1.00 22.75 O ATOM 1360 CB VAL A 307 -6.658 10.617 81.960 1.00 26.13 C ATOM 1361 CG1 VAL A 307 -7.854 11.122 81.150 1.00 28.30 C ATOM 1362 CG2 VAL A 307 -5.353 11.078 81.321 1.00 25.29 C ATOM 1363 H VAL A 307 -5.331 9.508 83.908 1.00 0.00 H ATOM 1364 N LYS A 308 -8.607 9.907 84.388 1.00 24.84 N ATOM 1365 CA LYS A 308 -9.959 9.734 84.944 1.00 28.10 C ATOM 1366 C LYS A 308 -10.173 10.527 86.241 1.00 29.11 C ATOM 1367 O LYS A 308 -11.290 10.962 86.518 1.00 26.61 O ATOM 1368 CB LYS A 308 -10.281 8.252 85.160 1.00 30.99 C ATOM 1369 CG LYS A 308 -11.668 7.981 85.718 1.00 37.80 C ATOM 1370 CD LYS A 308 -12.080 6.523 85.545 1.00 44.27 C ATOM 1371 CE LYS A 308 -13.470 6.261 86.116 1.00 47.96 C ATOM 1372 NZ LYS A 308 -13.807 4.805 86.158 1.00 50.01 N ATOM 1373 HZ1 LYS A 308 -13.778 4.416 85.194 1.00 0.00 H ATOM 1374 HZ2 LYS A 308 -13.116 4.308 86.755 1.00 0.00 H ATOM 1375 HZ3 LYS A 308 -14.761 4.682 86.554 1.00 0.00 H ATOM 1376 H LYS A 308 -7.987 9.076 84.310 1.00 0.00 H ATOM 1377 N GLN A 309 -9.099 10.715 87.017 1.00 25.45 N ATOM 1378 CA GLN A 309 -9.118 11.504 88.251 1.00 25.81 C ATOM 1379 C GLN A 309 -8.770 12.985 88.055 1.00 25.47 C ATOM 1380 O GLN A 309 -8.486 13.676 89.022 1.00 25.62 O ATOM 1381 CB GLN A 309 -8.159 10.887 89.281 1.00 27.08 C ATOM 1382 CG GLN A 309 -8.544 9.493 89.742 1.00 30.49 C ATOM 1383 CD GLN A 309 -9.930 9.402 90.337 1.00 35.43 C ATOM 1384 OE1 GLN A 309 -10.356 10.271 91.106 1.00 41.46 O ATOM 1385 NE2 GLN A 309 -10.651 8.340 89.988 1.00 34.58 N ATOM 1386 HE22 GLN A 309 -10.253 7.632 89.338 1.00 0.00 H ATOM 1387 HE21 GLN A 309 -11.612 8.217 90.365 1.00 0.00 H ATOM 1388 H GLN A 309 -8.201 10.277 86.728 1.00 0.00 H ATOM 1389 N ARG A 310 -8.786 13.459 86.809 1.00 24.23 N ATOM 1390 CA ARG A 310 -8.548 14.863 86.467 1.00 23.99 C ATOM 1391 C ARG A 310 -7.118 15.335 86.712 1.00 23.56 C ATOM 1392 O ARG A 310 -6.874 16.520 86.918 1.00 25.37 O ATOM 1393 CB ARG A 310 -9.583 15.791 87.140 1.00 26.07 C ATOM 1394 CG ARG A 310 -11.017 15.535 86.676 1.00 30.90 C ATOM 1395 CD ARG A 310 -12.065 16.271 87.518 1.00 30.80 C ATOM 1396 NE ARG A 310 -11.661 17.630 87.911 1.00 34.99 N ATOM 1397 CZ ARG A 310 -11.697 18.702 87.118 1.00 37.07 C ATOM 1398 NH1 ARG A 310 -12.114 18.615 85.858 1.00 36.83 N ATOM 1399 NH2 ARG A 310 -11.298 19.881 87.583 1.00 39.91 N ATOM 1400 HE ARG A 310 -11.320 17.766 88.884 1.00 0.00 H ATOM 1401 HH12 ARG A 310 -12.134 19.464 85.257 1.00 0.00 H ATOM 1402 HH11 ARG A 310 -12.420 17.698 85.474 1.00 0.00 H ATOM 1403 HH22 ARG A 310 -11.325 20.719 86.967 1.00 0.00 H ATOM 1404 HH21 ARG A 310 -10.959 19.966 88.563 1.00 0.00 H ATOM 1405 H ARG A 310 -8.979 12.792 86.034 1.00 0.00 H ATOM 1406 N GLY A 311 -6.154 14.410 86.648 1.00 23.02 N ATOM 1407 CA GLY A 311 -4.749 14.805 86.693 1.00 21.69 C ATOM 1408 C GLY A 311 -4.420 15.643 87.910 1.00 21.11 C ATOM 1409 O GLY A 311 -4.953 15.415 88.995 1.00 21.86 O ATOM 1410 H GLY A 311 -6.406 13.404 86.566 1.00 0.00 H ATOM 1411 N TRP A 312 -3.533 16.622 87.739 1.00 20.96 N ATOM 1412 CA TRP A 312 -3.104 17.430 88.846 1.00 21.71 C ATOM 1413 C TRP A 312 -4.162 18.342 89.381 1.00 25.68 C ATOM 1414 O TRP A 312 -4.150 18.658 90.568 1.00 24.09 O ATOM 1415 CB TRP A 312 -1.821 18.188 88.502 1.00 22.34 C ATOM 1416 CG TRP A 312 -0.691 17.222 88.335 1.00 21.09 C ATOM 1417 CD1 TRP A 312 -0.157 16.731 87.152 1.00 21.86 C ATOM 1418 CD2 TRP A 312 0.000 16.497 89.400 1.00 22.52 C ATOM 1419 NE1 TRP A 312 0.838 15.826 87.406 1.00 21.80 N ATOM 1420 CE2 TRP A 312 0.968 15.630 88.743 1.00 22.37 C ATOM 1421 CE3 TRP A 312 -0.077 16.501 90.782 1.00 24.18 C ATOM 1422 CZ2 TRP A 312 1.822 14.812 89.462 1.00 24.68 C ATOM 1423 CZ3 TRP A 312 0.786 15.679 91.502 1.00 26.19 C ATOM 1424 CH2 TRP A 312 1.721 14.857 90.854 1.00 25.22 C ATOM 1425 HE1 TRP A 312 1.413 15.355 86.678 1.00 0.00 H ATOM 1426 H TRP A 312 -3.146 16.804 86.791 1.00 0.00 H ATOM 1427 N ASP A 313 -5.125 18.744 88.545 1.00 26.87 N ATOM 1428 CA ASP A 313 -6.268 19.487 89.075 1.00 28.38 C ATOM 1429 C ASP A 313 -7.025 18.641 90.091 1.00 25.60 C ATOM 1430 O ASP A 313 -7.424 19.143 91.147 1.00 26.83 O ATOM 1431 CB ASP A 313 -7.213 19.964 87.966 1.00 30.64 C ATOM 1432 CG ASP A 313 -6.657 21.160 87.197 1.00 35.59 C ATOM 1433 OD1 ASP A 313 -6.204 22.127 87.830 1.00 42.47 O ATOM 1434 OD2 ASP A 313 -6.674 21.125 85.958 1.00 45.91 O ATOM 1435 H ASP A 313 -5.062 18.531 87.529 1.00 0.00 H ATOM 1436 N GLY A 314 -7.193 17.357 89.786 1.00 23.69 N ATOM 1437 CA GLY A 314 -7.856 16.430 90.684 1.00 24.75 C ATOM 1438 C GLY A 314 -7.091 16.219 91.978 1.00 23.69 C ATOM 1439 O GLY A 314 -7.690 16.162 93.046 1.00 25.47 O ATOM 1440 H GLY A 314 -6.837 17.006 88.874 1.00 0.00 H ATOM 1441 N PHE A 315 -5.769 16.060 91.876 1.00 24.35 N ATOM 1442 CA PHE A 315 -4.897 15.992 93.047 1.00 23.91 C ATOM 1443 C PHE A 315 -5.106 17.192 93.968 1.00 25.08 C ATOM 1444 O PHE A 315 -5.336 17.024 95.169 1.00 23.80 O ATOM 1445 CB PHE A 315 -3.445 15.933 92.565 1.00 24.57 C ATOM 1446 CG PHE A 315 -2.417 15.978 93.656 1.00 25.01 C ATOM 1447 CD1 PHE A 315 -2.076 14.823 94.363 1.00 24.26 C ATOM 1448 CD2 PHE A 315 -1.724 17.145 93.914 1.00 22.72 C ATOM 1449 CE1 PHE A 315 -1.079 14.848 95.318 1.00 26.41 C ATOM 1450 CE2 PHE A 315 -0.738 17.180 94.878 1.00 24.94 C ATOM 1451 CZ PHE A 315 -0.413 16.034 95.584 1.00 24.73 C ATOM 1452 H PHE A 315 -5.345 15.982 90.930 1.00 0.00 H ATOM 1453 N VAL A 316 -5.026 18.400 93.407 1.00 25.10 N ATOM 1454 CA VAL A 316 -5.242 19.621 94.197 1.00 26.32 C ATOM 1455 C VAL A 316 -6.628 19.644 94.865 1.00 29.49 C ATOM 1456 O VAL A 316 -6.743 19.929 96.064 1.00 30.27 O ATOM 1457 CB VAL A 316 -5.010 20.897 93.354 1.00 26.41 C ATOM 1458 CG1 VAL A 316 -5.488 22.142 94.119 1.00 28.26 C ATOM 1459 CG2 VAL A 316 -3.542 21.042 92.984 1.00 25.45 C ATOM 1460 H VAL A 316 -4.807 18.479 92.393 1.00 0.00 H ATOM 1461 N GLU A 317 -7.673 19.328 94.099 1.00 27.10 N ATOM 1462 CA GLU A 317 -9.042 19.271 94.615 1.00 29.56 C ATOM 1463 C GLU A 317 -9.184 18.206 95.704 1.00 29.54 C ATOM 1464 O GLU A 317 -9.893 18.409 96.682 1.00 27.30 O ATOM 1465 CB GLU A 317 -10.044 18.990 93.475 1.00 30.93 C ATOM 1466 CG GLU A 317 -10.161 20.141 92.484 1.00 36.56 C ATOM 1467 CD GLU A 317 -10.778 19.762 91.137 1.00 43.55 C ATOM 1468 OE1 GLU A 317 -11.123 18.582 90.904 1.00 46.31 O ATOM 1469 OE2 GLU A 317 -10.895 20.667 90.280 1.00 49.15 O ATOM 1470 H GLU A 317 -7.509 19.113 93.095 1.00 0.00 H ATOM 1471 N PHE A 318 -8.500 17.076 95.541 1.00 26.79 N ATOM 1472 CA PHE A 318 -8.614 15.981 96.504 1.00 27.07 C ATOM 1473 C PHE A 318 -8.116 16.401 97.871 1.00 26.71 C ATOM 1474 O PHE A 318 -8.737 16.074 98.883 1.00 29.11 O ATOM 1475 CB PHE A 318 -7.812 14.761 96.043 1.00 25.84 C ATOM 1476 CG PHE A 318 -8.009 13.550 96.897 1.00 25.14 C ATOM 1477 CD1 PHE A 318 -9.191 12.828 96.833 1.00 28.05 C ATOM 1478 CD2 PHE A 318 -6.996 13.102 97.750 1.00 24.64 C ATOM 1479 CE1 PHE A 318 -9.376 11.697 97.603 1.00 26.93 C ATOM 1480 CE2 PHE A 318 -7.171 11.972 98.521 1.00 25.41 C ATOM 1481 CZ PHE A 318 -8.361 11.263 98.459 1.00 26.63 C ATOM 1482 H PHE A 318 -7.875 16.970 94.716 1.00 0.00 H ATOM 1483 N PHE A 319 -6.997 17.114 97.902 1.00 27.77 N ATOM 1484 CA PHE A 319 -6.344 17.470 99.162 1.00 29.79 C ATOM 1485 C PHE A 319 -6.712 18.872 99.665 1.00 32.87 C ATOM 1486 O PHE A 319 -6.210 19.310 100.702 1.00 35.73 O ATOM 1487 CB PHE A 319 -4.826 17.350 99.013 1.00 28.08 C ATOM 1488 CG PHE A 319 -4.338 15.938 98.965 1.00 26.65 C ATOM 1489 CD1 PHE A 319 -4.308 15.176 100.116 1.00 28.46 C ATOM 1490 CD2 PHE A 319 -3.903 15.371 97.786 1.00 24.75 C ATOM 1491 CE1 PHE A 319 -3.849 13.870 100.083 1.00 25.46 C ATOM 1492 CE2 PHE A 319 -3.444 14.064 97.747 1.00 24.72 C ATOM 1493 CZ PHE A 319 -3.420 13.314 98.894 1.00 25.69 C ATOM 1494 H PHE A 319 -6.573 17.428 97.006 1.00 0.00 H ATOM 1495 N HIS A 320 -7.592 19.566 98.946 1.00 33.67 N ATOM 1496 CA HIS A 320 -7.959 20.941 99.303 1.00 35.87 C ATOM 1497 C HIS A 320 -8.589 21.008 100.665 1.00 36.86 C ATOM 1498 O HIS A 320 -9.479 20.210 100.983 1.00 37.97 O ATOM 1499 CB HIS A 320 -8.917 21.528 98.270 1.00 37.09 C ATOM 1500 CG HIS A 320 -9.484 22.875 98.665 1.00 38.56 C ATOM 1501 ND1 HIS A 320 -8.750 23.999 98.640 1.00 44.03 N ATOM 1502 CD2 HIS A 320 -10.753 23.240 99.109 1.00 41.48 C ATOM 1503 CE1 HIS A 320 -9.513 25.041 99.035 1.00 44.11 C ATOM 1504 NE2 HIS A 320 -10.736 24.574 99.322 1.00 42.03 N ATOM 1505 H HIS A 320 -8.029 19.123 98.113 1.00 0.00 H ATOM 1506 N VAL A 321 -8.142 21.964 101.475 1.00 40.80 N ATOM 1507 CA VAL A 321 -8.667 22.139 102.828 1.00 46.68 C ATOM 1508 C VAL A 321 -9.413 23.464 102.908 1.00 44.76 C ATOM 1509 O VAL A 321 -8.855 24.508 102.590 1.00 48.79 O ATOM 1510 CB VAL A 321 -7.542 22.107 103.880 1.00 49.74 C ATOM 1511 CG1 VAL A 321 -8.089 22.428 105.268 1.00 52.65 C ATOM 1512 CG2 VAL A 321 -6.856 20.746 103.875 1.00 51.56 C ATOM 1513 H VAL A 321 -7.397 22.606 101.136 1.00 0.00 H ATOM 1514 N GLU A 322 -10.681 23.402 103.307 1.00 49.45 N ATOM 1515 CA GLU A 322 -11.503 24.603 103.485 1.00 56.53 C ATOM 1516 C GLU A 322 -11.012 25.405 104.685 1.00 57.28 C ATOM 1517 O GLU A 322 -10.538 24.834 105.670 1.00 54.58 O ATOM 1518 CB GLU A 322 -12.980 24.235 103.692 1.00 61.26 C ATOM 1519 CG GLU A 322 -13.675 23.636 102.474 1.00 66.62 C ATOM 1520 CD GLU A 322 -13.831 24.615 101.316 1.00 73.41 C ATOM 1521 OE1 GLU A 322 -13.538 25.822 101.482 1.00 79.00 O ATOM 1522 OE2 GLU A 322 -14.251 24.172 100.225 1.00 77.44 O ATOM 1523 H GLU A 322 -11.103 22.471 103.499 1.00 0.00 H ATOM 1524 N ASP A 323 -11.119 26.728 104.598 1.00 59.78 N ATOM 1525 CA ASP A 323 -10.778 27.598 105.728 1.00 62.17 C ATOM 1526 C ASP A 323 -11.769 27.344 106.857 1.00 56.82 C ATOM 1527 O ASP A 323 -12.955 27.122 106.606 1.00 54.43 O ATOM 1528 CB ASP A 323 -10.832 29.075 105.327 1.00 68.36 C ATOM 1529 CG ASP A 323 -9.901 29.406 104.176 1.00 71.41 C ATOM 1530 OD1 ASP A 323 -8.690 29.103 104.280 1.00 71.30 O ATOM 1531 OD2 ASP A 323 -10.390 29.972 103.172 1.00 73.83 O ATOM 1532 H ASP A 323 -11.452 27.154 103.710 1.00 0.00 H ATOM 1533 N LEU A 324 -11.280 27.362 108.093 1.00 58.97 N ATOM 1534 CA LEU A 324 -12.149 27.215 109.260 1.00 57.15 C ATOM 1535 C LEU A 324 -12.826 28.547 109.561 1.00 55.51 C ATOM 1536 O LEU A 324 -12.264 29.600 109.283 1.00 55.06 O ATOM 1537 CB LEU A 324 -11.347 26.742 110.475 1.00 55.89 C ATOM 1538 CG LEU A 324 -10.853 25.297 110.373 1.00 56.44 C ATOM 1539 CD1 LEU A 324 -9.629 25.078 111.251 1.00 57.20 C ATOM 1540 CD2 LEU A 324 -11.976 24.331 110.722 1.00 54.84 C ATOM 1541 H LEU A 324 -10.257 27.483 108.233 1.00 0.00 H ATOM 1542 N GLU A 325 -14.031 28.488 110.126 1.00 62.13 N ATOM 1543 CA GLU A 325 -14.752 29.689 110.559 1.00 66.50 C ATOM 1544 C GLU A 325 -14.150 30.234 111.852 1.00 66.85 C ATOM 1545 O GLU A 325 -13.433 29.520 112.563 1.00 62.00 O ATOM 1546 CB GLU A 325 -16.234 29.380 110.797 1.00 68.49 C ATOM 1547 CG GLU A 325 -16.993 28.864 109.582 1.00 74.16 C ATOM 1548 CD GLU A 325 -18.387 28.366 109.936 1.00 80.28 C ATOM 1549 OE1 GLU A 325 -19.029 28.958 110.833 1.00 81.25 O ATOM 1550 OE2 GLU A 325 -18.846 27.379 109.321 1.00 82.08 O ATOM 1551 H GLU A 325 -14.476 27.558 110.265 1.00 0.00 H ATOM 1552 N GLY A 326 -14.453 31.497 112.152 1.00 68.59 N ATOM 1553 CA GLY A 326 -14.012 32.139 113.393 1.00 70.40 C ATOM 1554 C GLY A 326 -12.635 32.766 113.278 1.00 72.41 C ATOM 1555 O GLY A 326 -11.695 32.139 112.790 1.00 74.77 O ATOM 1556 H GLY A 326 -15.024 32.048 111.480 1.00 0.00 H TER 1557 GLY A 326 HETATM 1558 O HOH 1 -3.791 0.549 89.302 1.00 45.65 O HETATM 1559 O HOH 2 3.344 23.778 84.880 1.00 51.60 O HETATM 1560 O HOH 3 16.438 25.937 84.257 1.00 41.59 O HETATM 1561 O HOH 4 5.140 6.716 77.047 1.00 37.84 O HETATM 1562 O HOH 5 26.486 0.291 93.601 1.00 57.98 O HETATM 1563 O HOH 6 4.772 29.945 88.152 1.00 47.15 O HETATM 1564 O HOH 7 10.613 24.801 94.505 1.00 32.77 O HETATM 1565 O HOH 8 0.431 8.130 101.722 1.00 38.77 O HETATM 1566 O HOH 9 -0.206 4.298 81.444 1.00 31.63 O HETATM 1567 O HOH 10 -1.622 23.450 100.765 1.00 58.64 O HETATM 1568 O HOH 11 3.462 5.114 111.787 1.00 31.69 O HETATM 1569 O HOH 12 11.723 5.567 113.708 1.00 47.69 O HETATM 1570 O HOH 13 4.238 2.820 108.464 1.00 33.44 O HETATM 1571 O HOH 14 -1.792 -5.209 91.377 1.00 38.94 O HETATM 1572 O HOH 15 31.639 15.189 95.287 1.00 45.10 O HETATM 1573 O HOH 16 -8.968 7.376 81.700 1.00 35.75 O HETATM 1574 O HOH 17 18.740 18.744 84.146 1.00 38.39 O HETATM 1575 O HOH 18 0.115 -0.155 86.441 1.00 36.18 O HETATM 1576 O HOH 19 13.518 6.526 83.942 1.00 53.22 O HETATM 1577 O HOH 20 14.071 15.914 86.451 1.00 45.56 O HETATM 1578 O HOH 21 18.786 27.215 84.797 1.00 25.40 O HETATM 1579 O HOH 22 9.279 21.140 100.498 1.00 38.36 O HETATM 1580 O HOH 23 1.358 17.085 106.779 1.00 43.25 O HETATM 1581 O HOH 24 13.927 4.461 112.288 1.00 55.74 O HETATM 1582 O HOH 25 13.484 2.131 111.000 1.00 40.06 O HETATM 1583 O HOH 26 11.872 12.633 80.572 1.00 50.00 O HETATM 1584 O HOH 27 -4.814 20.900 97.778 1.00 31.86 O HETATM 1585 O HOH 28 -1.020 0.877 100.707 1.00 39.83 O HETATM 1586 O HOH 29 2.510 -3.380 96.383 1.00 39.08 O HETATM 1587 O HOH 30 27.698 7.827 91.389 1.00 51.50 O HETATM 1588 O HOH 31 15.905 8.776 84.848 1.00 41.51 O HETATM 1589 O HOH 32 3.612 -3.114 99.643 1.00 47.29 O HETATM 1590 O HOH 33 9.670 -4.600 88.675 1.00 32.44 O HETATM 1591 O HOH 34 20.169 3.852 101.234 1.00 41.54 O HETATM 1592 O HOH 35 8.831 19.169 82.580 1.00 36.09 O HETATM 1593 O HOH 36 7.242 5.763 112.380 1.00 30.42 O HETATM 1594 O HOH 37 6.684 27.508 94.709 1.00 51.48 O HETATM 1595 O HOH 38 12.469 23.268 93.534 1.00 31.85 O HETATM 1596 O HOH 39 11.064 11.516 108.477 1.00 36.45 O HETATM 1597 O HOH 40 10.334 -6.883 90.496 1.00 46.42 O HETATM 1598 O HOH 41 9.784 -0.392 105.492 1.00 40.92 O HETATM 1599 O HOH 42 -10.383 15.261 93.078 1.00 38.46 O HETATM 1600 O HOH 43 16.223 -3.335 91.085 1.00 46.89 O HETATM 1601 O HOH 44 16.517 10.981 103.977 1.00 33.83 O HETATM 1602 O HOH 45 8.089 2.756 115.099 1.00 35.16 O HETATM 1603 O HOH 46 8.715 7.318 114.524 1.00 35.91 O HETATM 1604 O HOH 47 5.935 11.480 76.691 1.00 36.04 O HETATM 1605 O HOH 48 -6.793 23.756 84.829 1.00 50.08 O HETATM 1606 O HOH 49 14.946 23.961 94.791 1.00 34.11 O HETATM 1607 O HOH 50 3.127 29.476 84.258 1.00 51.79 O HETATM 1608 O HOH 51 -0.786 4.973 101.177 1.00 41.89 O HETATM 1609 O HOH 52 -9.245 13.022 91.879 1.00 34.19 O HETATM 1610 O HOH 53 -0.482 8.201 107.721 1.00 26.71 O HETATM 1611 O HOH 54 8.887 26.293 92.777 1.00 34.32 O HETATM 1612 O HOH 55 -2.122 -1.998 97.040 1.00 29.87 O HETATM 1613 O HOH 56 -6.416 0.709 91.217 1.00 44.56 O HETATM 1614 O HOH 57 -12.737 12.877 88.160 1.00 50.14 O HETATM 1615 O HOH 58 15.559 -0.384 87.665 1.00 41.53 O HETATM 1616 O HOH 59 -7.615 8.518 95.526 1.00 28.34 O HETATM 1617 O HOH 60 21.261 23.105 100.063 1.00 54.58 O HETATM 1618 O HOH 61 -10.338 22.268 86.168 1.00 53.52 O HETATM 1619 O HOH 62 -1.137 29.058 94.542 1.00 56.05 O HETATM 1620 O HOH 63 6.154 8.333 113.336 1.00 22.97 O HETATM 1621 O HOH 64 -1.889 28.691 84.819 1.00 37.55 O HETATM 1622 O HOH 65 20.167 16.570 89.921 1.00 44.38 O HETATM 1623 O HOH 66 8.470 21.970 102.974 1.00 44.82 O HETATM 1624 O HOH 67 -8.483 2.485 92.177 1.00 49.58 O HETATM 1625 O HOH 68 -6.132 23.451 90.496 1.00 53.24 O HETATM 1626 O HOH 69 26.383 16.728 95.390 1.00 45.87 O HETATM 1627 O HOH 70 -2.803 3.402 82.451 1.00 47.14 O HETATM 1628 O HOH 71 -0.856 14.493 78.168 1.00 33.43 O HETATM 1629 O HOH 72 -4.392 1.606 99.371 1.00 37.71 O HETATM 1630 O HOH 73 6.605 3.786 110.256 1.00 27.40 O HETATM 1631 O HOH 74 -2.633 12.358 79.322 1.00 26.64 O HETATM 1632 O HOH 75 4.491 20.827 105.760 1.00 50.39 O HETATM 1633 O HOH 76 -9.492 9.754 93.998 1.00 36.99 O HETATM 1634 O HOH 77 -5.583 2.790 77.707 1.00 46.86 O HETATM 1635 O HOH 78 27.487 10.971 104.099 1.00 40.52 O HETATM 1636 O HOH 79 -3.361 21.326 84.986 1.00 37.11 O HETATM 1637 O HOH 80 -10.652 5.677 88.308 1.00 49.31 O HETATM 1638 O HOH 81 9.335 15.665 106.472 1.00 47.26 O HETATM 1639 O HOH 82 21.063 7.586 88.249 1.00 52.95 O HETATM 1640 O HOH 83 -5.582 26.046 89.408 1.00 49.79 O HETATM 1641 O HOH 84 -4.081 3.342 85.191 1.00 30.73 O HETATM 1642 O HOH 85 0.030 10.688 106.110 1.00 27.06 O HETATM 1643 O HOH 86 27.645 4.368 89.695 1.00 53.81 O HETATM 1644 O HOH 87 19.063 12.074 104.519 1.00 35.85 O HETATM 1645 O HOH 88 15.095 12.880 105.705 1.00 38.16 O HETATM 1646 O HOH 89 -5.386 23.638 97.347 1.00 46.98 O HETATM 1647 O HOH 90 7.321 0.565 110.791 1.00 49.09 O HETATM 1648 O HOH 91 18.330 7.038 87.690 1.00 47.71 O HETATM 1649 O HOH 92 -4.361 21.092 81.557 1.00 52.37 O HETATM 1650 O HOH 93 12.928 19.139 84.808 1.00 47.56 O HETATM 1651 O HOH 94 21.421 4.240 103.627 1.00 47.04 O HETATM 1652 O HOH 95 6.013 29.241 90.920 1.00 55.76 O HETATM 1653 O HOH 96 6.020 32.607 88.732 1.00 54.86 O HETATM 1654 O HOH 97 17.637 30.242 89.013 1.00 38.14 O HETATM 1655 O HOH 98 30.433 -0.245 99.694 1.00 47.96 O HETATM 1656 O HOH 99 17.165 33.276 92.220 1.00 51.38 O HETATM 1657 O HOH 100 4.632 0.301 106.910 1.00 45.24 O HETATM 1658 O HOH 101 26.081 9.294 106.038 1.00 42.56 O HETATM 1659 C9 Q A 4 9.353 1.546 96.829 1.00 -0.07 C HETATM 1660 C8 Q A 4 10.829 1.578 97.273 1.00 -0.05 C HETATM 1661 C7 Q A 4 11.677 2.351 96.278 1.00 -0.00 C HETATM 1662 C4 Q A 4 11.034 3.688 95.965 1.00 -0.02 C HETATM 1663 C3 Q A 4 11.872 4.643 95.406 1.00 -0.02 C HETATM 1664 C2 Q A 4 11.402 5.898 95.066 1.00 0.06 C HETATM 1665 CL1 Q A 4 12.494 7.046 94.389 1.00 -0.04 CL HETATM 1666 C1 Q A 4 10.080 6.244 95.308 1.00 -0.03 C HETATM 1667 C6 Q A 4 9.239 5.289 95.870 1.00 -0.05 C HETATM 1668 C5 Q A 4 9.694 4.009 96.198 1.00 -0.04 C HETATM 1669 C10 Q A 4 8.723 2.969 96.817 1.00 0.01 C HETATM 1670 C14 Q A 4 8.395 3.354 98.245 1.00 0.01 C HETATM 1671 N1 Q A 4 7.312 2.524 98.815 1.00 -0.31 N HETATM 1672 C13 Q A 4 6.015 2.663 98.548 1.00 0.11 C HETATM 1673 C12 Q A 4 5.587 3.380 97.442 1.00 0.15 C HETATM 1674 O1 Q A 4 6.416 3.911 96.502 1.00 -0.30 O HETATM 1675 C11 Q A 4 7.393 2.937 96.015 1.00 0.06 C HETATM 1676 H12 Q A 4 6.957 1.930 96.097 1.00 0.05 H HETATM 1677 H13 Q A 4 7.613 3.157 94.960 1.00 0.05 H HETATM 1678 C15 Q A 4 4.221 3.587 97.196 1.00 -0.00 C HETATM 1679 C16 Q A 4 3.267 3.077 98.078 1.00 -0.05 C HETATM 1680 C17 Q A 4 3.677 2.365 99.211 1.00 -0.04 C HETATM 1681 C18 Q A 4 5.044 2.166 99.432 1.00 -0.03 C HETATM 1682 H16 Q A 4 5.362 1.614 100.309 1.00 0.07 H HETATM 1683 C19 Q A 4 2.657 1.715 100.197 1.00 0.10 C HETATM 1684 C22 Q A 4 2.959 1.985 101.665 1.00 0.04 C HETATM 1685 C23 Q A 4 2.616 3.408 102.123 1.00 0.17 C HETATM 1686 N2 Q A 4 3.041 3.767 103.358 1.00 -0.27 N HETATM 1687 C28 Q A 4 3.806 2.864 104.239 1.00 0.05 C HETATM 1688 C29 Q A 4 5.170 3.175 104.163 1.00 -0.08 C HETATM 1689 C27 Q A 4 6.082 2.164 103.866 1.00 -0.10 C HETATM 1690 C26 Q A 4 7.443 2.426 103.762 1.00 -0.04 C HETATM 1691 C25 Q A 4 8.036 1.803 102.495 1.00 -0.04 C HETATM 1692 C30 Q A 4 7.728 2.661 101.255 1.00 -0.03 C HETATM 1693 C21 Q A 4 7.764 1.766 100.004 1.00 0.03 C HETATM 1694 H17 Q A 4 8.793 1.414 99.840 1.00 0.05 H HETATM 1695 H18 Q A 4 7.101 0.902 100.157 1.00 0.05 H HETATM 1696 H19 Q A 4 6.730 3.112 101.357 1.00 0.03 H HETATM 1697 H20 Q A 4 8.482 3.457 101.161 1.00 0.03 H HETATM 1698 H21 Q A 4 9.127 1.721 102.612 1.00 0.03 H HETATM 1699 H22 Q A 4 7.606 0.800 102.353 1.00 0.03 H HETATM 1700 H23 Q A 4 7.597 3.515 103.731 1.00 0.04 H HETATM 1701 H24 Q A 4 7.956 2.008 104.641 1.00 0.04 H HETATM 1702 H25 Q A 4 5.721 1.148 103.712 1.00 0.05 H HETATM 1703 H26 Q A 4 5.513 4.194 104.334 1.00 0.05 H HETATM 1704 H27 Q A 4 3.460 2.986 105.276 1.00 0.06 H HETATM 1705 H28 Q A 4 3.650 1.823 103.920 1.00 0.06 H HETATM 1706 C24 Q A 4 2.685 5.134 103.768 1.00 0.02 C HETATM 1707 H29 Q A 4 2.119 5.623 102.961 1.00 0.05 H HETATM 1708 H30 Q A 4 3.602 5.706 103.972 1.00 0.05 H HETATM 1709 H31 Q A 4 2.067 5.095 104.677 1.00 0.05 H HETATM 1710 O5 Q A 4 1.957 4.147 101.385 1.00 -0.40 O HETATM 1711 H32 Q A 4 2.377 1.277 102.273 1.00 0.04 H HETATM 1712 H33 Q A 4 4.033 1.817 101.833 1.00 0.04 H HETATM 1713 C20 Q A 4 2.742 0.179 99.954 1.00 0.03 C HETATM 1714 O4 Q A 4 1.982 -0.299 99.086 1.00 -0.56 O HETATM 1715 O3 Q A 4 3.595 -0.495 100.593 1.00 -0.56 O HETATM 1716 O2 Q A 4 1.309 2.127 99.896 1.00 -0.43 O HETATM 1717 H34 Q A 4 1.216 3.056 100.072 1.00 0.19 H HETATM 1718 H15 Q A 4 2.212 3.232 97.886 1.00 0.08 H HETATM 1719 H14 Q A 4 3.906 4.143 96.320 1.00 0.06 H HETATM 1720 H10 Q A 4 8.080 4.408 98.264 1.00 0.04 H HETATM 1721 H11 Q A 4 9.298 3.230 98.861 1.00 0.04 H HETATM 1722 H9 Q A 4 8.203 5.545 96.059 1.00 0.08 H HETATM 1723 H8 Q A 4 9.712 7.234 95.065 1.00 0.07 H HETATM 1724 H7 Q A 4 12.914 4.400 95.233 1.00 0.06 H HETATM 1725 H5 Q A 4 11.770 1.767 95.350 1.00 0.05 H HETATM 1726 H6 Q A 4 12.676 2.520 96.707 1.00 0.05 H HETATM 1727 H3 Q A 4 11.206 0.547 97.344 1.00 0.03 H HETATM 1728 H4 Q A 4 10.898 2.062 98.258 1.00 0.03 H HETATM 1729 H1 Q A 4 8.785 0.911 97.525 1.00 0.02 H HETATM 1730 H2 Q A 4 9.295 1.122 95.816 1.00 0.02 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1659 1660 1669 1729 1730 CONECT 1660 1659 1661 1727 1728 CONECT 1661 1660 1662 1725 1726 CONECT 1662 1661 1663 1668 CONECT 1663 1662 1664 1724 CONECT 1664 1663 1665 1666 CONECT 1665 1664 CONECT 1666 1664 1667 1723 CONECT 1667 1666 1668 1722 CONECT 1668 1662 1667 1669 CONECT 1669 1659 1668 1670 1675 CONECT 1670 1669 1671 1720 1721 CONECT 1671 1670 1672 1693 CONECT 1672 1671 1673 1681 CONECT 1673 1672 1674 1678 CONECT 1674 1673 1675 CONECT 1675 1669 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 CONECT 1678 1673 1679 1719 CONECT 1679 1678 1680 1718 CONECT 1680 1679 1681 1683 CONECT 1681 1672 1680 1682 CONECT 1682 1681 CONECT 1683 1680 1684 1713 1716 CONECT 1684 1683 1685 1711 1712 CONECT 1685 1684 1686 1710 CONECT 1686 1685 1687 1706 CONECT 1687 1686 1688 1704 1705 CONECT 1688 1687 1689 1703 CONECT 1689 1688 1690 1702 CONECT 1690 1689 1691 1700 1701 CONECT 1691 1690 1692 1698 1699 CONECT 1692 1691 1693 1696 1697 CONECT 1693 1671 1692 1694 1695 CONECT 1694 1693 CONECT 1695 1693 CONECT 1696 1692 CONECT 1697 1692 CONECT 1698 1691 CONECT 1699 1691 CONECT 1700 1690 CONECT 1701 1690 CONECT 1702 1689 CONECT 1703 1688 CONECT 1704 1687 CONECT 1705 1687 CONECT 1706 1686 1707 1708 1709 CONECT 1707 1706 CONECT 1708 1706 CONECT 1709 1706 CONECT 1710 1685 CONECT 1711 1684 CONECT 1712 1684 CONECT 1713 1683 1714 1715 CONECT 1714 1713 CONECT 1715 1713 CONECT 1716 1683 1717 CONECT 1717 1716 CONECT 1718 1679 CONECT 1719 1678 CONECT 1720 1670 CONECT 1721 1670 CONECT 1722 1667 CONECT 1723 1666 CONECT 1724 1663 CONECT 1725 1661 CONECT 1726 1661 CONECT 1727 1660 CONECT 1728 1660 CONECT 1729 1659 CONECT 1730 1659 MASTER 0 0 0 0 0 0 0 0 1729 1 76 12 END
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Related entries of code: 6udu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
3wix
RCSB PDB
PDBbind
161aa, >3WIX_1|Chains... at 90%
3wiy
RCSB PDB
PDBbind
161aa, >3WIY_1|Chains... at 90%
4hw2
RCSB PDB
PDBbind
153aa, >4HW2_1|Chains... at 96%
4hw3
RCSB PDB
PDBbind
153aa, >4HW3_1|Chains... at 96%
4oq6
RCSB PDB
PDBbind
157aa, >4OQ6_1|Chains... at 92%
4wgi
RCSB PDB
PDBbind
518aa, >4WGI_1|Chain... *
4wmu
RCSB PDB
PDBbind
518aa, >4WMU_1|Chain... at 100%
4wmv
RCSB PDB
PDBbind
518aa, >4WMV_1|Chain... at 100%
4wmx
RCSB PDB
PDBbind
518aa, >4WMX_1|Chain... at 100%
4zbf
RCSB PDB
PDBbind
157aa, >4ZBF_1|Chains... at 93%
4zbi
RCSB PDB
PDBbind
157aa, >4ZBI_1|Chains... at 93%
5fdo
RCSB PDB
PDBbind
150aa, >5FDO_1|Chains... at 97%
5fdr
RCSB PDB
PDBbind
158aa, >5FDR_1|Chains... at 92%
5iez
RCSB PDB
PDBbind
159aa, >5IEZ_1|Chains... at 91%
5if4
RCSB PDB
PDBbind
159aa, >5IF4_1|Chains... at 91%
5vkc
RCSB PDB
PDBbind
157aa, >5VKC_1|Chains... at 92%
6b4l
RCSB PDB
PDBbind
157aa, >6B4L_1|Chains... at 92%
6b4u
RCSB PDB
PDBbind
157aa, >6B4U_1|Chain... at 92%
6bw2
RCSB PDB
PDBbind
158aa, >6BW2_1|Chains... at 92%
6bw8
RCSB PDB
PDBbind
158aa, >6BW8_1|Chains... at 92%
6dm8
RCSB PDB
PDBbind
518aa, >6DM8_1|Chains... at 96%
6fs1
RCSB PDB
PDBbind
150aa, >6FS1_1|Chains... at 92%
6qz7
RCSB PDB
PDBbind
518aa, >6QZ7_1|Chain... at 99%
6qyo
RCSB PDB
PDBbind
518aa, >6QYO_1|Chain... at 99%
6qyn
RCSB PDB
PDBbind
518aa, >6QYN_1|Chain... at 99%
6qyl
RCSB PDB
PDBbind
518aa, >6QYL_1|Chain... at 99%
6qyk
RCSB PDB
PDBbind
518aa, >6QYK_1|Chain... at 99%
6qxj
RCSB PDB
PDBbind
518aa, >6QXJ_1|Chain... at 99%
6p3p
RCSB PDB
PDBbind
157aa, >6P3P_1|Chain... at 92%
6oqn
RCSB PDB
PDBbind
157aa, >6OQN_1|Chains... at 92%
6oqd
RCSB PDB
PDBbind
157aa, >6OQD_1|Chain... at 92%
6oqc
RCSB PDB
PDBbind
157aa, >6OQC_1|Chains... at 92%
6oqb
RCSB PDB
PDBbind
157aa, >6OQB_1|Chain... at 92%
6o6g
RCSB PDB
PDBbind
156aa, >6O6G_1|Chain... at 93%
6o6f
RCSB PDB
PDBbind
158aa, >6O6F_1|Chains... at 92%
6ne5
RCSB PDB
PDBbind
159aa, >6NE5_1|Chains... at 91%
6ud2
RCSB PDB
PDBbind
157aa, >6UD2_1|Chain... at 92%
6udi
RCSB PDB
PDBbind
157aa, >6UDI_1|Chain... at 92%
6udt
RCSB PDB
PDBbind
157aa, >6UDT_1|Chain... at 92%
6udv
RCSB PDB
PDBbind
157aa, >6UDV_1|Chain... at 92%
6udx
RCSB PDB
PDBbind
157aa, >6UDX_1|Chains... at 92%
6udy
RCSB PDB
PDBbind
157aa, >6UDY_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6udu
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Mcl-1
Ligand Name
Q4Y
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=0.5nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 10258-10271
Ligand Properties
Formula
C
3
0
H
3
5
ClN
2
O
5
Molecular Weight
539.062
Exact Mass
538.223
No. of atoms
73
No. of bonds
77
Polar Surface Area
90.31
LOGP Value
5.56 (
Computed with XLOGP3
)
4.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
Clc1ccc2c(c1)CCC[C@@]12COc2c3N(C1)CCCC/C=C/CN(C(=O)C[C@](c(c3)cc2)(O)C(=O)O)C
InChI String
InChI=1S/C30H35ClN2O5/c1-32-14-5-3-2-4-6-15-33-19-29(13-7-8-21-16-23(31)10-11-24(21)29)20-38-26-12-9-22(17-25(26)33)30(37,28(35)36)18-27(32)34/h3,5,9-12,16-17,37H,2,4,6-8,13-15,18-20H2,1H3,(H,35,36)/b5-3+/t29-,30+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q07820
Entrez Gene ID
NCBI Entrez Gene ID:
4170
ASD
Information of known allosteric effects of PDB entries
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