Browse entries in the PDBbind-CN Database
HEADER 5AGR_COMPLEX COMPND 5AGR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 10 GLY ALA VAL ALA LEU PHE SER ALA ARG ALA SEQRES 1 A 71 VAL ASP ILE GLU VAL PHE THR THR ARG PRO ASP THR LEU SEQRES 2 A 71 PHE GLY ALA THR TYR LEU VAL LEU ALA PRO GLU HIS ASP SEQRES 3 A 71 LEU VAL ASP GLU LEU VAL ALA ALA SER TRP PRO ALA GLY SEQRES 4 A 71 VAL ASN PRO LEU TRP THR TYR GLY GLY GLY THR PRO GLY SEQRES 5 A 71 GLU ALA ILE ALA ALA TYR ARG ARG ALA ILE ALA ALA LYS SEQRES 6 A 71 SER ASP LEU GLU ARG GLN SEQRES 1 A 109 LYS THR GLY VAL PHE LEU GLY SER TYR ALA ILE ASN PRO SEQRES 2 A 109 ALA ASN GLY GLU PRO VAL PRO ILE PHE ILE ALA ASP TYR SEQRES 3 A 109 VAL LEU ALA GLY TYR GLY THR GLY ALA ILE MET ALA VAL SEQRES 4 A 109 PRO GLY HIS ASP GLN ARG ASP TRP ASP PHE ALA ARG ALA SEQRES 5 A 109 PHE GLY LEU PRO ILE VAL GLU VAL ILE ALA GLY GLY ASN SEQRES 6 A 109 ILE SER GLU SER ALA TYR THR GLY ASP GLY ILE LEU VAL SEQRES 7 A 109 ASN SER ASP TYR LEU ASN GLY MET SER VAL PRO ALA ALA SEQRES 8 A 109 LYS ARG ALA ILE VAL ASP ARG LEU GLU SER ALA GLY ARG SEQRES 9 A 109 GLY ARG ALA ARG ILE HET A A 52 61 ATOM 1 N GLY A 313 19.682 10.048 3.496 1.00 20.22 N ATOM 2 CA GLY A 313 18.900 10.382 4.680 1.00 19.33 C ATOM 3 C GLY A 313 18.373 11.801 4.703 1.00 18.29 C ATOM 4 O GLY A 313 18.399 12.498 3.692 1.00 18.33 O ATOM 5 HN3 GLY A 313 20.507 10.679 3.437 1.00 0.00 H ATOM 6 HN2 GLY A 313 19.092 10.167 2.648 1.00 0.00 H ATOM 7 HN1 GLY A 313 20.003 9.061 3.561 1.00 0.00 H ATOM 8 N ALA A 314 17.880 12.216 5.869 1.00 16.47 N ATOM 9 CA ALA A 314 17.333 13.548 6.058 1.00 14.58 C ATOM 10 C ALA A 314 17.449 13.964 7.508 1.00 13.20 C ATOM 11 O ALA A 314 17.391 13.126 8.415 1.00 13.44 O ATOM 12 CB ALA A 314 15.861 13.598 5.634 1.00 14.66 C ATOM 13 H ALA A 314 17.887 11.560 6.676 1.00 0.00 H ATOM 14 N VAL A 315 17.585 15.268 7.722 1.00 12.04 N ATOM 15 CA VAL A 315 17.373 15.817 9.048 1.00 11.80 C ATOM 16 C VAL A 315 16.064 16.585 9.031 1.00 11.39 C ATOM 17 O VAL A 315 15.718 17.209 8.026 1.00 12.04 O ATOM 18 CB VAL A 315 18.560 16.690 9.535 1.00 11.79 C ATOM 19 CG1 VAL A 315 19.778 15.811 9.854 1.00 12.74 C ATOM 20 CG2 VAL A 315 18.925 17.769 8.515 1.00 13.50 C ATOM 21 H VAL A 315 17.844 15.898 6.936 1.00 0.00 H ATOM 22 N ALA A 316 15.325 16.522 10.134 1.00 11.52 N ATOM 23 CA ALA A 316 14.053 17.216 10.234 1.00 11.27 C ATOM 24 C ALA A 316 13.876 17.764 11.637 1.00 11.43 C ATOM 25 O ALA A 316 14.364 17.178 12.608 1.00 11.96 O ATOM 26 CB ALA A 316 12.905 16.286 9.880 1.00 11.90 C ATOM 27 H ALA A 316 15.665 15.964 10.943 1.00 0.00 H ATOM 28 N LEU A 317 13.146 18.871 11.736 1.00 11.36 N ATOM 29 CA LEU A 317 12.834 19.480 13.017 1.00 11.49 C ATOM 30 C LEU A 317 11.440 19.103 13.473 1.00 11.79 C ATOM 31 O LEU A 317 10.500 19.078 12.670 1.00 12.49 O ATOM 32 CB LEU A 317 12.912 21.001 12.908 1.00 12.06 C ATOM 33 CG LEU A 317 14.241 21.650 12.536 1.00 12.86 C ATOM 34 CD1 LEU A 317 14.054 23.161 12.474 1.00 14.66 C ATOM 35 CD2 LEU A 317 15.315 21.258 13.538 1.00 14.08 C ATOM 36 H LEU A 317 12.787 19.315 10.867 1.00 0.00 H ATOM 37 N PHE A 318 11.328 18.798 14.764 1.00 11.57 N ATOM 38 CA PHE A 318 10.038 18.689 15.450 1.00 11.68 C ATOM 39 C PHE A 318 9.999 19.799 16.499 1.00 12.43 C ATOM 40 O PHE A 318 10.889 19.866 17.355 1.00 12.62 O ATOM 41 CB PHE A 318 9.913 17.343 16.182 1.00 11.71 C ATOM 42 CG PHE A 318 9.609 16.153 15.298 1.00 11.22 C ATOM 43 CD1 PHE A 318 10.533 15.693 14.354 1.00 11.54 C ATOM 44 CD2 PHE A 318 8.413 15.458 15.457 1.00 11.64 C ATOM 45 CE1 PHE A 318 10.247 14.569 13.575 1.00 11.35 C ATOM 46 CE2 PHE A 318 8.124 14.344 14.676 1.00 13.12 C ATOM 47 CZ PHE A 318 9.044 13.899 13.735 1.00 11.60 C ATOM 48 H PHE A 318 12.196 18.629 15.311 1.00 0.00 H ATOM 49 N SER A 319 8.988 20.666 16.429 1.00 13.07 N ATOM 50 CA SER A 319 8.798 21.735 17.419 1.00 14.29 C ATOM 51 C SER A 319 8.300 21.179 18.744 1.00 15.08 C ATOM 52 O SER A 319 7.450 20.305 18.764 1.00 14.88 O ATOM 53 CB SER A 319 7.766 22.750 16.919 1.00 14.49 C ATOM 54 OG SER A 319 8.201 23.433 15.758 1.00 15.35 O ATOM 55 HG SER A 319 9.039 23.921 15.958 1.00 0.00 H ATOM 56 H SER A 319 8.309 20.582 15.645 1.00 0.00 H ATOM 57 N ALA A 320 8.811 21.702 19.856 1.00 16.83 N ATOM 58 CA ALA A 320 8.196 21.410 21.158 1.00 19.76 C ATOM 59 C ALA A 320 6.779 22.012 21.148 1.00 22.00 C ATOM 60 O ALA A 320 6.590 23.116 20.618 1.00 22.63 O ATOM 61 CB ALA A 320 9.015 22.014 22.275 1.00 20.43 C ATOM 62 H ALA A 320 9.647 22.318 19.803 1.00 0.00 H ATOM 63 N ARG A 321 5.791 21.297 21.698 1.00 23.70 N ATOM 64 CA ARG A 321 4.414 21.801 21.760 1.00 24.54 C ATOM 65 C ARG A 321 4.302 22.966 22.744 1.00 25.24 C ATOM 66 O ARG A 321 3.601 23.949 22.479 1.00 25.45 O ATOM 67 CB ARG A 321 3.426 20.684 22.126 1.00 24.60 C ATOM 68 CG ARG A 321 1.958 21.116 22.079 1.00 24.73 C ATOM 69 CD ARG A 321 0.994 19.938 22.186 1.00 25.47 C ATOM 70 NE ARG A 321 0.848 19.448 23.555 1.00 26.10 N ATOM 71 CZ ARG A 321 -0.093 18.590 23.939 1.00 26.42 C ATOM 72 NH1 ARG A 321 -0.975 18.137 23.059 1.00 26.65 N ATOM 73 NH2 ARG A 321 -0.159 18.189 25.202 1.00 26.66 N ATOM 74 HE ARG A 321 1.520 19.790 24.271 1.00 0.00 H ATOM 75 HH12 ARG A 321 -1.711 17.466 23.359 1.00 0.00 H ATOM 76 HH11 ARG A 321 -0.931 18.453 22.069 1.00 0.00 H ATOM 77 HH22 ARG A 321 -0.897 17.518 25.497 1.00 0.00 H ATOM 78 HH21 ARG A 321 0.527 18.546 25.897 1.00 0.00 H ATOM 79 H ARG A 321 6.005 20.359 22.092 1.00 0.00 H ATOM 80 N ALA A 322 4.996 22.845 23.875 1.00 26.03 N ATOM 81 CA ALA A 322 5.032 23.895 24.892 1.00 26.97 C ATOM 82 C ALA A 322 6.353 24.656 24.815 1.00 27.54 C ATOM 83 O ALA A 322 7.374 24.117 24.371 1.00 28.14 O ATOM 84 CB ALA A 322 4.841 23.297 26.281 1.00 27.16 C ATOM 85 H ALA A 322 5.533 21.970 24.041 1.00 0.00 H TER 86 ALA A 322 ATOM 87 N VAL A 330 11.630 25.768 21.071 1.00 22.25 N ATOM 88 CA VAL A 330 12.603 24.680 21.141 1.00 21.19 C ATOM 89 C VAL A 330 12.347 23.686 20.004 1.00 19.96 C ATOM 90 O VAL A 330 11.246 23.147 19.881 1.00 20.13 O ATOM 91 CB VAL A 330 12.548 23.957 22.520 1.00 21.86 C ATOM 92 CG1 VAL A 330 13.418 22.704 22.530 1.00 22.10 C ATOM 93 CG2 VAL A 330 12.963 24.901 23.645 1.00 22.77 C ATOM 94 HN3 VAL A 330 10.670 25.379 21.161 1.00 0.00 H ATOM 95 HN2 VAL A 330 11.723 26.256 20.157 1.00 0.00 H ATOM 96 HN1 VAL A 330 11.807 26.440 21.844 1.00 0.00 H ATOM 97 N ASP A 331 13.358 23.459 19.173 1.00 18.65 N ATOM 98 CA ASP A 331 13.260 22.485 18.081 1.00 17.89 C ATOM 99 C ASP A 331 14.136 21.275 18.352 1.00 17.07 C ATOM 100 O ASP A 331 15.288 21.411 18.769 1.00 17.66 O ATOM 101 CB ASP A 331 13.680 23.110 16.748 1.00 18.49 C ATOM 102 CG ASP A 331 12.748 24.212 16.290 1.00 20.50 C ATOM 103 OD1 ASP A 331 11.514 24.058 16.395 1.00 21.31 O ATOM 104 OD2 ASP A 331 13.269 25.235 15.806 1.00 24.15 O ATOM 105 H ASP A 331 14.245 23.987 19.300 1.00 0.00 H ATOM 106 N ILE A 332 13.580 20.092 18.115 1.00 15.03 N ATOM 107 CA ILE A 332 14.338 18.852 18.225 1.00 13.91 C ATOM 108 C ILE A 332 14.676 18.382 16.820 1.00 12.70 C ATOM 109 O ILE A 332 13.783 18.102 16.018 1.00 12.42 O ATOM 110 CB ILE A 332 13.544 17.747 18.949 1.00 14.02 C ATOM 111 CG1 ILE A 332 13.186 18.171 20.376 1.00 15.42 C ATOM 112 CG2 ILE A 332 14.341 16.438 18.955 1.00 15.28 C ATOM 113 CD1 ILE A 332 11.987 17.465 20.921 1.00 16.80 C ATOM 114 H ILE A 332 12.577 20.050 17.844 1.00 0.00 H ATOM 115 N GLU A 333 15.971 18.310 16.528 1.00 11.93 N ATOM 116 CA GLU A 333 16.435 17.843 15.230 1.00 12.10 C ATOM 117 C GLU A 333 16.662 16.334 15.270 1.00 11.29 C ATOM 118 O GLU A 333 17.380 15.828 16.141 1.00 11.54 O ATOM 119 CB GLU A 333 17.727 18.562 14.825 1.00 12.48 C ATOM 120 CG GLU A 333 18.103 18.342 13.370 1.00 14.64 C ATOM 121 CD GLU A 333 19.511 18.794 13.032 1.00 17.16 C ATOM 122 OE1 GLU A 333 20.256 19.242 13.931 1.00 19.44 O ATOM 123 OE2 GLU A 333 19.881 18.685 11.850 1.00 19.38 O ATOM 124 H GLU A 333 16.669 18.594 17.244 1.00 0.00 H ATOM 125 N VAL A 334 16.017 15.620 14.348 1.00 10.97 N ATOM 126 CA VAL A 334 16.206 14.178 14.205 1.00 11.10 C ATOM 127 C VAL A 334 16.942 13.862 12.912 1.00 11.11 C ATOM 128 O VAL A 334 16.883 14.632 11.955 1.00 11.32 O ATOM 129 CB VAL A 334 14.865 13.385 14.266 1.00 11.13 C ATOM 130 CG1 VAL A 334 14.091 13.713 15.545 1.00 11.97 C ATOM 131 CG2 VAL A 334 14.004 13.606 13.008 1.00 11.97 C ATOM 132 H VAL A 334 15.356 16.106 13.708 1.00 0.00 H ATOM 133 N PHE A 335 17.661 12.744 12.902 1.00 11.02 N ATOM 134 CA PHE A 335 18.206 12.204 11.667 1.00 11.14 C ATOM 135 C PHE A 335 17.491 10.901 11.336 1.00 10.38 C ATOM 136 O PHE A 335 17.362 10.006 12.184 1.00 11.05 O ATOM 137 CB PHE A 335 19.716 11.975 11.738 1.00 12.42 C ATOM 138 CG PHE A 335 20.265 11.300 10.515 1.00 14.51 C ATOM 139 CD1 PHE A 335 20.374 11.995 9.316 1.00 16.31 C ATOM 140 CD2 PHE A 335 20.616 9.957 10.545 1.00 16.38 C ATOM 141 CE1 PHE A 335 20.860 11.376 8.172 1.00 17.77 C ATOM 142 CE2 PHE A 335 21.109 9.328 9.401 1.00 17.62 C ATOM 143 CZ PHE A 335 21.227 10.043 8.220 1.00 17.50 C ATOM 144 H PHE A 335 17.838 12.245 13.797 1.00 0.00 H ATOM 145 N THR A 336 17.023 10.806 10.096 1.00 10.12 N ATOM 146 CA THR A 336 16.327 9.607 9.632 1.00 10.00 C ATOM 147 C THR A 336 16.787 9.168 8.247 1.00 10.34 C ATOM 148 O THR A 336 17.048 10.000 7.377 1.00 11.02 O ATOM 149 CB THR A 336 14.776 9.779 9.650 1.00 9.70 C ATOM 150 OG1 THR A 336 14.155 8.547 9.273 1.00 9.44 O ATOM 151 CG2 THR A 336 14.302 10.887 8.701 1.00 10.69 C ATOM 152 HG1 THR A 336 14.416 7.838 9.912 1.00 0.00 H ATOM 153 H THR A 336 17.155 11.603 9.441 1.00 0.00 H ATOM 154 N THR A 337 16.869 7.858 8.041 1.00 10.23 N ATOM 155 CA THR A 337 17.109 7.313 6.706 1.00 10.91 C ATOM 156 C THR A 337 15.785 6.970 6.013 1.00 10.58 C ATOM 157 O THR A 337 15.775 6.513 4.865 1.00 11.22 O ATOM 158 CB THR A 337 17.986 6.052 6.764 1.00 11.45 C ATOM 159 OG1 THR A 337 17.335 5.051 7.559 1.00 14.16 O ATOM 160 CG2 THR A 337 19.374 6.361 7.328 1.00 14.17 C ATOM 161 HG1 THR A 337 16.460 4.826 7.153 1.00 0.00 H ATOM 162 H THR A 337 16.760 7.208 8.845 1.00 0.00 H ATOM 163 N ARG A 338 14.667 7.215 6.696 1.00 9.75 N ATOM 164 CA ARG A 338 13.338 6.938 6.145 1.00 9.93 C ATOM 165 C ARG A 338 12.396 8.141 6.327 1.00 9.77 C ATOM 166 O ARG A 338 11.360 8.047 6.997 1.00 10.10 O ATOM 167 CB ARG A 338 12.739 5.668 6.758 1.00 9.82 C ATOM 168 CG ARG A 338 13.502 4.379 6.412 1.00 10.38 C ATOM 169 CD ARG A 338 13.467 4.066 4.904 1.00 10.21 C ATOM 170 NE ARG A 338 12.082 3.970 4.436 1.00 10.61 N ATOM 171 CZ ARG A 338 11.315 2.886 4.574 1.00 10.28 C ATOM 172 NH1 ARG A 338 11.808 1.780 5.126 1.00 11.62 N ATOM 173 NH2 ARG A 338 10.064 2.897 4.148 1.00 11.55 N ATOM 174 HE ARG A 338 11.669 4.801 3.966 1.00 0.00 H ATOM 175 HH12 ARG A 338 11.206 0.938 5.231 1.00 0.00 H ATOM 176 HH11 ARG A 338 12.795 1.757 5.452 1.00 0.00 H ATOM 177 HH22 ARG A 338 9.470 2.050 4.257 1.00 0.00 H ATOM 178 HH21 ARG A 338 9.674 3.752 3.703 1.00 0.00 H ATOM 179 H ARG A 338 14.741 7.616 7.653 1.00 0.00 H ATOM 180 N PRO A 339 12.736 9.287 5.704 1.00 9.63 N ATOM 181 CA PRO A 339 11.853 10.451 5.856 1.00 9.99 C ATOM 182 C PRO A 339 10.463 10.207 5.268 1.00 9.49 C ATOM 183 O PRO A 339 9.505 10.869 5.668 1.00 9.60 O ATOM 184 CB PRO A 339 12.587 11.559 5.086 1.00 10.39 C ATOM 185 CG PRO A 339 13.470 10.835 4.116 1.00 10.28 C ATOM 186 CD PRO A 339 13.871 9.556 4.803 1.00 10.30 C ATOM 187 N ASP A 340 10.363 9.266 4.330 1.00 9.38 N ATOM 188 CA ASP A 340 9.082 8.880 3.742 1.00 9.48 C ATOM 189 C ASP A 340 8.072 8.392 4.780 1.00 9.19 C ATOM 190 O ASP A 340 6.878 8.387 4.508 1.00 9.50 O ATOM 191 CB ASP A 340 9.292 7.775 2.702 1.00 9.68 C ATOM 192 CG ASP A 340 9.989 6.535 3.282 1.00 9.95 C ATOM 193 OD1 ASP A 340 11.132 6.657 3.781 1.00 10.40 O ATOM 194 OD2 ASP A 340 9.383 5.448 3.219 1.00 12.41 O ATOM 195 H ASP A 340 11.228 8.789 4.005 1.00 0.00 H ATOM 196 N THR A 341 8.554 7.964 5.949 1.00 8.64 N ATOM 197 CA THR A 341 7.680 7.399 6.980 1.00 8.99 C ATOM 198 C THR A 341 7.220 8.426 8.024 1.00 8.99 C ATOM 199 O THR A 341 6.692 8.053 9.064 1.00 9.41 O ATOM 200 CB THR A 341 8.353 6.200 7.725 1.00 8.97 C ATOM 201 OG1 THR A 341 9.500 6.653 8.465 1.00 9.07 O ATOM 202 CG2 THR A 341 8.737 5.071 6.758 1.00 9.81 C ATOM 203 HG1 THR A 341 10.155 7.056 7.842 1.00 0.00 H ATOM 204 H THR A 341 9.575 8.033 6.132 1.00 0.00 H ATOM 205 N LEU A 342 7.417 9.711 7.745 1.00 8.85 N ATOM 206 CA LEU A 342 7.134 10.760 8.724 1.00 9.06 C ATOM 207 C LEU A 342 5.702 10.728 9.270 1.00 8.88 C ATOM 208 O LEU A 342 5.489 10.989 10.449 1.00 8.69 O ATOM 209 CB LEU A 342 7.454 12.128 8.123 1.00 9.18 C ATOM 210 CG LEU A 342 7.235 13.400 8.945 1.00 9.94 C ATOM 211 CD1 LEU A 342 8.014 13.384 10.251 1.00 9.89 C ATOM 212 CD2 LEU A 342 7.651 14.590 8.095 1.00 8.96 C ATOM 213 H LEU A 342 7.781 9.977 6.808 1.00 0.00 H ATOM 214 N PHE A 343 4.719 10.395 8.433 1.00 9.05 N ATOM 215 CA PHE A 343 3.327 10.348 8.917 1.00 9.43 C ATOM 216 C PHE A 343 3.078 9.183 9.886 1.00 9.05 C ATOM 217 O PHE A 343 2.008 9.101 10.503 1.00 9.61 O ATOM 218 CB PHE A 343 2.303 10.298 7.774 1.00 9.56 C ATOM 219 CG PHE A 343 2.138 11.593 7.016 1.00 10.09 C ATOM 220 CD1 PHE A 343 3.022 11.927 5.990 1.00 11.19 C ATOM 221 CD2 PHE A 343 1.083 12.456 7.304 1.00 10.81 C ATOM 222 CE1 PHE A 343 2.859 13.105 5.264 1.00 11.25 C ATOM 223 CE2 PHE A 343 0.912 13.651 6.585 1.00 10.84 C ATOM 224 CZ PHE A 343 1.805 13.974 5.562 1.00 11.71 C ATOM 225 H PHE A 343 4.934 10.169 7.441 1.00 0.00 H ATOM 226 N GLY A 344 4.054 8.279 9.988 1.00 9.29 N ATOM 227 CA GLY A 344 4.006 7.191 10.961 1.00 9.30 C ATOM 228 C GLY A 344 4.851 7.389 12.209 1.00 8.91 C ATOM 229 O GLY A 344 4.981 6.454 13.005 1.00 9.41 O ATOM 230 H GLY A 344 4.875 8.351 9.354 1.00 0.00 H ATOM 231 N ALA A 345 5.435 8.576 12.383 1.00 8.96 N ATOM 232 CA ALA A 345 6.237 8.860 13.573 1.00 9.13 C ATOM 233 C ALA A 345 5.307 9.214 14.732 1.00 9.35 C ATOM 234 O ALA A 345 4.676 10.287 14.731 1.00 10.25 O ATOM 235 CB ALA A 345 7.226 9.999 13.297 1.00 9.50 C ATOM 236 H ALA A 345 5.318 9.313 11.659 1.00 0.00 H ATOM 237 N THR A 346 5.240 8.323 15.722 1.00 9.36 N ATOM 238 CA THR A 346 4.251 8.426 16.798 1.00 9.70 C ATOM 239 C THR A 346 4.852 8.843 18.140 1.00 9.34 C ATOM 240 O THR A 346 4.115 9.082 19.099 1.00 9.97 O ATOM 241 CB THR A 346 3.465 7.106 16.967 1.00 10.05 C ATOM 242 OG1 THR A 346 4.378 6.066 17.319 1.00 10.59 O ATOM 243 CG2 THR A 346 2.737 6.745 15.683 1.00 11.27 C ATOM 244 HG1 THR A 346 3.882 5.216 17.429 1.00 0.00 H ATOM 245 H THR A 346 5.912 7.529 15.731 1.00 0.00 H ATOM 246 N TYR A 347 6.179 8.943 18.204 1.00 9.36 N ATOM 247 CA TYR A 347 6.860 9.453 19.408 1.00 9.20 C ATOM 248 C TYR A 347 8.285 9.851 19.014 1.00 8.75 C ATOM 249 O TYR A 347 8.741 9.515 17.915 1.00 9.00 O ATOM 250 CB TYR A 347 6.789 8.459 20.607 1.00 9.57 C ATOM 251 CG TYR A 347 7.472 7.124 20.406 1.00 9.67 C ATOM 252 CD1 TYR A 347 6.857 6.101 19.692 1.00 10.28 C ATOM 253 CD2 TYR A 347 8.733 6.879 20.951 1.00 9.76 C ATOM 254 CE1 TYR A 347 7.482 4.884 19.508 1.00 10.83 C ATOM 255 CE2 TYR A 347 9.367 5.647 20.776 1.00 10.73 C ATOM 256 CZ TYR A 347 8.733 4.663 20.047 1.00 10.79 C ATOM 257 OH TYR A 347 9.364 3.460 19.841 1.00 12.32 O ATOM 258 HH TYR A 347 8.779 2.869 19.304 1.00 0.00 H ATOM 259 H TYR A 347 6.749 8.654 17.384 1.00 0.00 H ATOM 260 N LEU A 348 8.967 10.602 19.873 1.00 8.79 N ATOM 261 CA LEU A 348 10.368 10.953 19.670 1.00 9.42 C ATOM 262 C LEU A 348 11.204 10.350 20.771 1.00 9.45 C ATOM 263 O LEU A 348 10.737 10.198 21.908 1.00 10.02 O ATOM 264 CB LEU A 348 10.578 12.461 19.711 1.00 10.81 C ATOM 265 CG LEU A 348 9.927 13.316 18.640 1.00 10.85 C ATOM 266 CD1 LEU A 348 10.426 14.733 18.805 1.00 12.86 C ATOM 267 CD2 LEU A 348 10.226 12.791 17.238 1.00 13.43 C ATOM 268 H LEU A 348 8.482 10.953 20.724 1.00 0.00 H ATOM 269 N VAL A 349 12.445 10.012 20.449 1.00 9.42 N ATOM 270 CA VAL A 349 13.373 9.492 21.449 1.00 10.01 C ATOM 271 C VAL A 349 14.689 10.251 21.384 1.00 9.80 C ATOM 272 O VAL A 349 15.309 10.358 20.320 1.00 10.20 O ATOM 273 CB VAL A 349 13.632 7.979 21.306 1.00 9.46 C ATOM 274 CG1 VAL A 349 14.430 7.474 22.500 1.00 11.03 C ATOM 275 CG2 VAL A 349 12.332 7.220 21.181 1.00 10.58 C ATOM 276 H VAL A 349 12.764 10.119 19.465 1.00 0.00 H ATOM 277 N LEU A 350 15.093 10.782 22.531 1.00 10.89 N ATOM 278 CA LEU A 350 16.378 11.446 22.680 1.00 11.40 C ATOM 279 C LEU A 350 17.325 10.546 23.444 1.00 10.86 C ATOM 280 O LEU A 350 16.902 9.771 24.315 1.00 11.08 O ATOM 281 CB LEU A 350 16.218 12.764 23.446 1.00 11.54 C ATOM 282 CG LEU A 350 15.692 13.983 22.670 1.00 14.67 C ATOM 283 CD1 LEU A 350 14.367 13.729 21.943 1.00 15.18 C ATOM 284 CD2 LEU A 350 15.564 15.172 23.612 1.00 17.21 C ATOM 285 H LEU A 350 14.465 10.721 23.357 1.00 0.00 H ATOM 286 N ALA A 351 18.614 10.655 23.137 1.00 10.76 N ATOM 287 CA ALA A 351 19.620 9.985 23.952 1.00 11.54 C ATOM 288 C ALA A 351 19.500 10.513 25.389 1.00 11.67 C ATOM 289 O ALA A 351 19.166 11.687 25.591 1.00 11.90 O ATOM 290 CB ALA A 351 20.988 10.259 23.418 1.00 11.98 C ATOM 291 H ALA A 351 18.905 11.220 22.314 1.00 0.00 H ATOM 292 N PRO A 352 19.769 9.657 26.398 1.00 12.47 N ATOM 293 CA PRO A 352 19.603 10.106 27.782 1.00 13.17 C ATOM 294 C PRO A 352 20.459 11.321 28.134 1.00 13.83 C ATOM 295 O PRO A 352 20.079 12.092 29.016 1.00 14.43 O ATOM 296 CB PRO A 352 20.018 8.872 28.599 1.00 13.24 C ATOM 297 CG PRO A 352 19.674 7.724 27.719 1.00 13.63 C ATOM 298 CD PRO A 352 20.022 8.205 26.327 1.00 12.96 C ATOM 299 N GLU A 353 21.576 11.489 27.421 1.00 14.97 N ATOM 300 CA GLU A 353 22.543 12.558 27.664 1.00 16.47 C ATOM 301 C GLU A 353 22.315 13.775 26.752 1.00 16.61 C ATOM 302 O GLU A 353 23.078 14.742 26.793 1.00 17.72 O ATOM 303 CB GLU A 353 23.973 12.027 27.476 1.00 17.25 C ATOM 304 CG GLU A 353 24.306 10.755 28.281 1.00 19.03 C ATOM 305 CD GLU A 353 23.816 9.437 27.644 1.00 19.82 C ATOM 306 OE1 GLU A 353 23.384 9.428 26.459 1.00 18.66 O ATOM 307 OE2 GLU A 353 23.881 8.393 28.347 1.00 20.91 O ATOM 308 H GLU A 353 21.769 10.820 26.648 1.00 0.00 H ATOM 309 N HIS A 354 21.275 13.718 25.919 1.00 16.07 N ATOM 310 CA HIS A 354 20.963 14.813 24.998 1.00 16.29 C ATOM 311 C HIS A 354 20.785 16.131 25.752 1.00 16.96 C ATOM 312 O HIS A 354 20.101 16.177 26.776 1.00 16.61 O ATOM 313 CB HIS A 354 19.701 14.477 24.198 1.00 15.66 C ATOM 314 CG HIS A 354 19.414 15.433 23.083 1.00 15.14 C ATOM 315 ND1 HIS A 354 19.504 15.080 21.755 1.00 16.79 N ATOM 316 CD2 HIS A 354 19.044 16.735 23.103 1.00 14.66 C ATOM 317 CE1 HIS A 354 19.194 16.122 21.006 1.00 15.05 C ATOM 318 NE2 HIS A 354 18.917 17.140 21.800 1.00 16.98 N ATOM 319 H HIS A 354 20.669 12.873 25.924 1.00 0.00 H ATOM 320 N ASP A 355 21.396 17.196 25.234 1.00 17.91 N ATOM 321 CA ASP A 355 21.411 18.534 25.843 1.00 18.49 C ATOM 322 C ASP A 355 20.037 19.144 26.104 1.00 18.36 C ATOM 323 O ASP A 355 19.872 19.993 26.975 1.00 18.87 O ATOM 324 CB ASP A 355 22.186 19.491 24.935 1.00 18.95 C ATOM 325 CG ASP A 355 23.682 19.360 25.092 1.00 20.43 C ATOM 326 OD1 ASP A 355 24.129 18.950 26.184 1.00 22.23 O ATOM 327 OD2 ASP A 355 24.407 19.680 24.127 1.00 22.23 O ATOM 328 H ASP A 355 21.899 17.071 24.332 1.00 0.00 H ATOM 329 N LEU A 356 19.057 18.761 25.287 1.00 17.62 N ATOM 330 CA LEU A 356 17.709 19.334 25.405 1.00 16.87 C ATOM 331 C LEU A 356 16.825 18.660 26.452 1.00 16.24 C ATOM 332 O LEU A 356 15.761 19.174 26.791 1.00 15.99 O ATOM 333 CB LEU A 356 16.983 19.341 24.051 1.00 16.90 C ATOM 334 CG LEU A 356 17.445 20.336 22.983 1.00 18.58 C ATOM 335 CD1 LEU A 356 16.542 20.210 21.762 1.00 19.26 C ATOM 336 CD2 LEU A 356 17.452 21.774 23.511 1.00 20.50 C ATOM 337 H LEU A 356 19.249 18.047 24.556 1.00 0.00 H ATOM 338 N VAL A 357 17.250 17.507 26.964 1.00 16.05 N ATOM 339 CA VAL A 357 16.404 16.740 27.882 1.00 16.23 C ATOM 340 C VAL A 357 15.971 17.564 29.097 1.00 16.54 C ATOM 341 O VAL A 357 14.779 17.662 29.391 1.00 15.95 O ATOM 342 CB VAL A 357 17.075 15.407 28.320 1.00 15.66 C ATOM 343 CG1 VAL A 357 16.270 14.721 29.426 1.00 16.57 C ATOM 344 CG2 VAL A 357 17.244 14.473 27.121 1.00 16.59 C ATOM 345 H VAL A 357 18.192 17.147 26.710 1.00 0.00 H ATOM 346 N ASP A 358 16.936 18.184 29.770 1.00 17.19 N ATOM 347 CA ASP A 358 16.645 18.926 30.997 1.00 18.59 C ATOM 348 C ASP A 358 15.673 20.081 30.752 1.00 19.48 C ATOM 349 O ASP A 358 14.851 20.395 31.612 1.00 20.31 O ATOM 350 CB ASP A 358 17.941 19.415 31.654 1.00 18.52 C ATOM 351 CG ASP A 358 18.744 18.283 32.278 1.00 18.95 C ATOM 352 OD1 ASP A 358 18.202 17.162 32.424 1.00 19.23 O ATOM 353 OD2 ASP A 358 19.922 18.512 32.617 1.00 21.74 O ATOM 354 H ASP A 358 17.914 18.141 29.418 1.00 0.00 H ATOM 355 N GLU A 359 15.772 20.675 29.563 1.00 20.23 N ATOM 356 CA GLU A 359 14.927 21.774 29.092 1.00 20.77 C ATOM 357 C GLU A 359 13.482 21.331 28.843 1.00 20.66 C ATOM 358 O GLU A 359 12.530 22.099 29.011 1.00 21.30 O ATOM 359 CB GLU A 359 15.526 22.285 27.778 1.00 21.23 C ATOM 360 CG GLU A 359 15.085 23.650 27.310 1.00 22.68 C ATOM 361 CD GLU A 359 16.141 24.295 26.435 1.00 24.62 C ATOM 362 OE1 GLU A 359 17.321 23.899 26.551 1.00 25.33 O ATOM 363 OE2 GLU A 359 15.801 25.193 25.638 1.00 26.08 O ATOM 364 H GLU A 359 16.510 20.330 28.917 1.00 0.00 H ATOM 365 N LEU A 360 13.337 20.087 28.393 1.00 19.57 N ATOM 366 CA LEU A 360 12.042 19.564 27.954 1.00 18.83 C ATOM 367 C LEU A 360 11.266 18.843 29.049 1.00 18.54 C ATOM 368 O LEU A 360 10.068 18.597 28.892 1.00 19.33 O ATOM 369 CB LEU A 360 12.225 18.618 26.761 1.00 18.50 C ATOM 370 CG LEU A 360 12.686 19.225 25.439 1.00 18.64 C ATOM 371 CD1 LEU A 360 13.270 18.136 24.554 1.00 18.83 C ATOM 372 CD2 LEU A 360 11.540 19.934 24.729 1.00 19.36 C ATOM 373 H LEU A 360 14.171 19.466 28.352 1.00 0.00 H ATOM 374 N VAL A 361 11.947 18.506 30.143 1.00 18.14 N ATOM 375 CA VAL A 361 11.331 17.767 31.248 1.00 18.34 C ATOM 376 C VAL A 361 10.221 18.592 31.908 1.00 18.04 C ATOM 377 O VAL A 361 10.466 19.720 32.361 1.00 18.83 O ATOM 378 CB VAL A 361 12.389 17.315 32.296 1.00 18.42 C ATOM 379 CG1 VAL A 361 11.723 16.850 33.592 1.00 19.77 C ATOM 380 CG2 VAL A 361 13.254 16.186 31.743 1.00 19.58 C ATOM 381 H VAL A 361 12.949 18.776 30.215 1.00 0.00 H ATOM 382 N ALA A 362 9.010 18.035 31.950 1.00 17.41 N ATOM 383 CA ALA A 362 7.855 18.702 32.566 1.00 17.72 C ATOM 384 C ALA A 362 7.925 18.658 34.090 1.00 18.02 C ATOM 385 O ALA A 362 8.584 17.792 34.663 1.00 18.26 O ATOM 386 CB ALA A 362 6.558 18.075 32.078 1.00 17.50 C ATOM 387 H ALA A 362 8.878 17.092 31.531 1.00 0.00 H ATOM 388 N ALA A 363 7.243 19.597 34.742 1.00 18.29 N ATOM 389 CA ALA A 363 7.243 19.670 36.207 1.00 18.58 C ATOM 390 C ALA A 363 6.464 18.525 36.859 1.00 18.52 C ATOM 391 O ALA A 363 6.802 18.086 37.961 1.00 19.45 O ATOM 392 CB ALA A 363 6.701 21.021 36.674 1.00 18.74 C ATOM 393 H ALA A 363 6.697 20.296 34.199 1.00 0.00 H ATOM 394 N SER A 364 5.426 18.046 36.173 1.00 18.32 N ATOM 395 CA SER A 364 4.559 16.985 36.691 1.00 18.38 C ATOM 396 C SER A 364 4.114 16.045 35.576 1.00 18.05 C ATOM 397 O SER A 364 4.158 16.405 34.395 1.00 18.13 O ATOM 398 CB SER A 364 3.324 17.585 37.377 1.00 18.66 C ATOM 399 OG SER A 364 3.691 18.485 38.407 1.00 20.06 O ATOM 400 HG SER A 364 4.227 18.005 39.087 1.00 0.00 H ATOM 401 H SER A 364 5.224 18.441 35.233 1.00 0.00 H ATOM 402 N TRP A 365 3.679 14.844 35.945 1.00 17.87 N ATOM 403 CA TRP A 365 3.105 13.923 34.970 1.00 17.82 C ATOM 404 C TRP A 365 1.727 14.413 34.536 1.00 18.76 C ATOM 405 O TRP A 365 0.995 14.992 35.347 1.00 18.54 O ATOM 406 CB TRP A 365 2.956 12.523 35.556 1.00 17.35 C ATOM 407 CG TRP A 365 4.252 11.878 35.926 1.00 15.31 C ATOM 408 CD1 TRP A 365 4.647 11.509 37.173 1.00 14.81 C ATOM 409 CD2 TRP A 365 5.320 11.508 35.039 1.00 13.89 C ATOM 410 NE1 TRP A 365 5.895 10.945 37.128 1.00 13.85 N ATOM 411 CE2 TRP A 365 6.332 10.934 35.831 1.00 14.17 C ATOM 412 CE3 TRP A 365 5.522 11.613 33.653 1.00 13.40 C ATOM 413 CZ2 TRP A 365 7.529 10.466 35.293 1.00 12.74 C ATOM 414 CZ3 TRP A 365 6.712 11.148 33.117 1.00 12.64 C ATOM 415 CH2 TRP A 365 7.703 10.581 33.934 1.00 12.33 C ATOM 416 HE1 TRP A 365 6.425 10.584 37.947 1.00 0.00 H ATOM 417 H TRP A 365 3.749 14.557 36.942 1.00 0.00 H ATOM 418 N PRO A 366 1.358 14.169 33.263 1.00 19.41 N ATOM 419 CA PRO A 366 -0.024 14.405 32.842 1.00 20.07 C ATOM 420 C PRO A 366 -0.966 13.465 33.579 1.00 20.37 C ATOM 421 O PRO A 366 -0.571 12.348 33.936 1.00 20.60 O ATOM 422 CB PRO A 366 -0.010 14.058 31.349 1.00 20.32 C ATOM 423 CG PRO A 366 1.417 14.049 30.948 1.00 20.48 C ATOM 424 CD PRO A 366 2.197 13.672 32.155 1.00 19.86 C ATOM 425 N ALA A 367 -2.198 13.913 33.819 1.00 20.71 N ATOM 426 CA ALA A 367 -3.206 13.054 34.427 1.00 21.32 C ATOM 427 C ALA A 367 -3.402 11.801 33.578 1.00 21.29 C ATOM 428 O ALA A 367 -3.460 11.883 32.351 1.00 21.85 O ATOM 429 CB ALA A 367 -4.527 13.800 34.594 1.00 21.56 C ATOM 430 H ALA A 367 -2.444 14.892 33.568 1.00 0.00 H ATOM 431 N GLY A 368 -3.486 10.650 34.239 1.00 21.49 N ATOM 432 CA GLY A 368 -3.739 9.377 33.561 1.00 21.29 C ATOM 433 C GLY A 368 -2.576 8.823 32.751 1.00 20.95 C ATOM 434 O GLY A 368 -2.783 7.992 31.869 1.00 21.55 O ATOM 435 H GLY A 368 -3.368 10.654 35.272 1.00 0.00 H ATOM 436 N VAL A 369 -1.357 9.272 33.052 1.00 19.84 N ATOM 437 CA VAL A 369 -0.154 8.745 32.401 1.00 18.61 C ATOM 438 C VAL A 369 -0.029 7.237 32.631 1.00 18.07 C ATOM 439 O VAL A 369 -0.324 6.730 33.720 1.00 18.78 O ATOM 440 CB VAL A 369 1.132 9.495 32.865 1.00 18.44 C ATOM 441 CG1 VAL A 369 1.441 9.226 34.344 1.00 18.79 C ATOM 442 CG2 VAL A 369 2.343 9.146 31.971 1.00 18.13 C ATOM 443 H VAL A 369 -1.257 10.018 33.770 1.00 0.00 H ATOM 444 N ASN A 370 0.382 6.525 31.586 1.00 17.16 N ATOM 445 CA ASN A 370 0.688 5.109 31.693 1.00 16.55 C ATOM 446 C ASN A 370 1.852 4.935 32.674 1.00 16.29 C ATOM 447 O ASN A 370 2.923 5.497 32.455 1.00 15.04 O ATOM 448 CB ASN A 370 1.052 4.558 30.308 1.00 16.56 C ATOM 449 CG ASN A 370 1.160 3.038 30.279 1.00 16.72 C ATOM 450 OD1 ASN A 370 1.467 2.395 31.285 1.00 16.92 O ATOM 451 ND2 ASN A 370 0.917 2.456 29.112 1.00 17.95 N ATOM 452 HD22 ASN A 370 0.661 3.034 28.286 1.00 0.00 H ATOM 453 HD21 ASN A 370 0.983 1.422 29.023 1.00 0.00 H ATOM 454 H ASN A 370 0.488 6.996 30.665 1.00 0.00 H ATOM 455 N PRO A 371 1.645 4.175 33.772 1.00 16.55 N ATOM 456 CA PRO A 371 2.723 3.958 34.750 1.00 16.54 C ATOM 457 C PRO A 371 4.001 3.357 34.159 1.00 16.24 C ATOM 458 O PRO A 371 5.084 3.564 34.710 1.00 16.20 O ATOM 459 CB PRO A 371 2.097 3.001 35.778 1.00 17.42 C ATOM 460 CG PRO A 371 0.894 2.452 35.125 1.00 18.15 C ATOM 461 CD PRO A 371 0.403 3.490 34.168 1.00 16.99 C ATOM 462 N LEU A 372 3.885 2.641 33.042 1.00 15.70 N ATOM 463 CA LEU A 372 5.060 2.078 32.369 1.00 15.37 C ATOM 464 C LEU A 372 6.002 3.155 31.851 1.00 14.20 C ATOM 465 O LEU A 372 7.173 2.887 31.599 1.00 13.98 O ATOM 466 CB LEU A 372 4.647 1.184 31.195 1.00 15.99 C ATOM 467 CG LEU A 372 3.938 -0.135 31.496 1.00 17.61 C ATOM 468 CD1 LEU A 372 3.437 -0.770 30.207 1.00 19.18 C ATOM 469 CD2 LEU A 372 4.861 -1.081 32.254 1.00 19.18 C ATOM 470 H LEU A 372 2.941 2.478 32.638 1.00 0.00 H ATOM 471 N TRP A 373 5.477 4.368 31.689 1.00 13.17 N ATOM 472 CA TRP A 373 6.226 5.474 31.106 1.00 12.73 C ATOM 473 C TRP A 373 7.039 6.263 32.123 1.00 12.25 C ATOM 474 O TRP A 373 7.880 7.067 31.738 1.00 12.53 O ATOM 475 CB TRP A 373 5.266 6.446 30.432 1.00 12.37 C ATOM 476 CG TRP A 373 4.533 5.933 29.210 1.00 11.44 C ATOM 477 CD1 TRP A 373 4.336 4.629 28.828 1.00 11.16 C ATOM 478 CD2 TRP A 373 3.881 6.740 28.226 1.00 11.85 C ATOM 479 NE1 TRP A 373 3.597 4.587 27.667 1.00 11.96 N ATOM 480 CE2 TRP A 373 3.303 5.867 27.279 1.00 11.48 C ATOM 481 CE3 TRP A 373 3.723 8.127 28.057 1.00 11.93 C ATOM 482 CZ2 TRP A 373 2.582 6.335 26.170 1.00 12.04 C ATOM 483 CZ3 TRP A 373 3.010 8.590 26.956 1.00 12.27 C ATOM 484 CH2 TRP A 373 2.452 7.697 26.029 1.00 12.54 C ATOM 485 HE1 TRP A 373 3.309 3.723 27.166 1.00 0.00 H ATOM 486 H TRP A 373 4.495 4.532 31.990 1.00 0.00 H ATOM 487 N THR A 374 6.791 6.037 33.413 1.00 12.14 N ATOM 488 CA THR A 374 7.265 6.952 34.456 1.00 12.62 C ATOM 489 C THR A 374 8.495 6.468 35.231 1.00 12.36 C ATOM 490 O THR A 374 9.007 7.197 36.088 1.00 12.33 O ATOM 491 CB THR A 374 6.161 7.224 35.489 1.00 13.14 C ATOM 492 OG1 THR A 374 5.906 6.024 36.225 1.00 15.21 O ATOM 493 CG2 THR A 374 4.869 7.696 34.823 1.00 14.72 C ATOM 494 HG1 THR A 374 5.195 6.193 36.893 1.00 0.00 H ATOM 495 H THR A 374 6.249 5.192 33.686 1.00 0.00 H ATOM 496 N TYR A 375 8.954 5.249 34.955 1.00 12.34 N ATOM 497 CA TYR A 375 10.094 4.662 35.670 1.00 12.48 C ATOM 498 C TYR A 375 9.869 4.588 37.193 1.00 12.41 C ATOM 499 O TYR A 375 10.824 4.508 37.967 1.00 12.07 O ATOM 500 CB TYR A 375 11.391 5.430 35.348 1.00 12.83 C ATOM 501 CG TYR A 375 12.614 4.555 35.236 1.00 11.63 C ATOM 502 CD1 TYR A 375 12.698 3.582 34.241 1.00 11.31 C ATOM 503 CD2 TYR A 375 13.694 4.710 36.099 1.00 12.23 C ATOM 504 CE1 TYR A 375 13.815 2.761 34.130 1.00 12.31 C ATOM 505 CE2 TYR A 375 14.814 3.903 35.995 1.00 11.35 C ATOM 506 CZ TYR A 375 14.876 2.937 35.008 1.00 11.76 C ATOM 507 OH TYR A 375 16.003 2.156 34.916 1.00 13.13 O ATOM 508 HH TYR A 375 15.900 1.516 34.168 1.00 0.00 H ATOM 509 H TYR A 375 8.489 4.694 34.208 1.00 0.00 H ATOM 510 N GLY A 376 8.608 4.607 37.617 1.00 13.01 N ATOM 511 CA GLY A 376 8.281 4.641 39.041 1.00 13.78 C ATOM 512 C GLY A 376 8.649 5.928 39.765 1.00 14.70 C ATOM 513 O GLY A 376 8.651 5.966 40.998 1.00 15.89 O ATOM 514 H GLY A 376 7.837 4.597 36.919 1.00 0.00 H ATOM 515 N GLY A 377 8.963 6.987 39.019 1.00 14.79 N ATOM 516 CA GLY A 377 9.321 8.280 39.619 1.00 15.28 C ATOM 517 C GLY A 377 8.106 9.160 39.863 1.00 15.36 C ATOM 518 O GLY A 377 7.169 9.160 39.065 1.00 15.82 O ATOM 519 H GLY A 377 8.954 6.896 37.983 1.00 0.00 H ATOM 520 N GLY A 378 8.130 9.931 40.952 1.00 15.51 N ATOM 521 CA GLY A 378 7.008 10.802 41.317 1.00 15.28 C ATOM 522 C GLY A 378 6.809 11.981 40.385 1.00 14.77 C ATOM 523 O GLY A 378 5.688 12.473 40.225 1.00 15.17 O ATOM 524 H GLY A 378 8.972 9.914 41.562 1.00 0.00 H ATOM 525 N THR A 379 7.906 12.443 39.791 1.00 14.51 N ATOM 526 CA THR A 379 7.883 13.525 38.815 1.00 14.57 C ATOM 527 C THR A 379 8.784 13.113 37.654 1.00 13.68 C ATOM 528 O THR A 379 9.649 12.237 37.824 1.00 13.16 O ATOM 529 CB THR A 379 8.424 14.856 39.404 1.00 14.87 C ATOM 530 OG1 THR A 379 9.808 14.704 39.754 1.00 16.68 O ATOM 531 CG2 THR A 379 7.611 15.293 40.628 1.00 16.38 C ATOM 532 HG1 THR A 379 10.148 15.555 40.129 1.00 0.00 H ATOM 533 H THR A 379 8.821 12.013 40.034 1.00 0.00 H ATOM 534 N PRO A 380 8.604 13.747 36.478 1.00 13.59 N ATOM 535 CA PRO A 380 9.511 13.489 35.357 1.00 13.31 C ATOM 536 C PRO A 380 10.991 13.721 35.702 1.00 13.11 C ATOM 537 O PRO A 380 11.840 12.903 35.348 1.00 13.09 O ATOM 538 CB PRO A 380 9.010 14.451 34.280 1.00 13.51 C ATOM 539 CG PRO A 380 7.532 14.539 34.560 1.00 14.14 C ATOM 540 CD PRO A 380 7.441 14.561 36.061 1.00 13.90 C ATOM 541 N GLY A 381 11.299 14.793 36.425 1.00 13.50 N ATOM 542 CA GLY A 381 12.681 15.087 36.779 1.00 13.30 C ATOM 543 C GLY A 381 13.317 14.002 37.631 1.00 12.99 C ATOM 544 O GLY A 381 14.464 13.620 37.402 1.00 12.69 O ATOM 545 H GLY A 381 10.542 15.431 36.743 1.00 0.00 H ATOM 546 N GLU A 382 12.566 13.507 38.611 1.00 12.99 N ATOM 547 CA GLU A 382 13.060 12.415 39.450 1.00 12.94 C ATOM 548 C GLU A 382 13.271 11.135 38.637 1.00 12.30 C ATOM 549 O GLU A 382 14.256 10.419 38.821 1.00 12.39 O ATOM 550 CB GLU A 382 12.104 12.139 40.610 1.00 13.77 C ATOM 551 CG GLU A 382 12.126 13.177 41.723 1.00 16.78 C ATOM 552 CD GLU A 382 10.990 12.940 42.701 1.00 19.94 C ATOM 553 OE1 GLU A 382 9.822 13.118 42.306 1.00 22.61 O ATOM 554 OE2 GLU A 382 11.258 12.549 43.857 1.00 23.61 O ATOM 555 H GLU A 382 11.619 13.900 38.782 1.00 0.00 H ATOM 556 N ALA A 383 12.337 10.860 37.736 1.00 11.62 N ATOM 557 CA ALA A 383 12.413 9.676 36.896 1.00 11.42 C ATOM 558 C ALA A 383 13.614 9.715 35.942 1.00 11.18 C ATOM 559 O ALA A 383 14.309 8.717 35.775 1.00 11.62 O ATOM 560 CB ALA A 383 11.127 9.509 36.136 1.00 11.90 C ATOM 561 H ALA A 383 11.530 11.508 37.628 1.00 0.00 H ATOM 562 N ILE A 384 13.872 10.877 35.341 1.00 11.41 N ATOM 563 CA ILE A 384 15.005 11.035 34.428 1.00 11.96 C ATOM 564 C ILE A 384 16.329 10.893 35.185 1.00 11.44 C ATOM 565 O ILE A 384 17.259 10.239 34.715 1.00 11.31 O ATOM 566 CB ILE A 384 14.908 12.370 33.635 1.00 12.90 C ATOM 567 CG1 ILE A 384 14.009 12.206 32.401 1.00 14.73 C ATOM 568 CG2 ILE A 384 16.269 12.831 33.151 1.00 13.58 C ATOM 569 CD1 ILE A 384 12.545 11.934 32.664 1.00 18.73 C ATOM 570 H ILE A 384 13.252 11.692 35.526 1.00 0.00 H ATOM 571 N ALA A 385 16.406 11.478 36.379 1.00 11.32 N ATOM 572 CA ALA A 385 17.610 11.330 37.197 1.00 11.32 C ATOM 573 C ALA A 385 17.871 9.867 37.569 1.00 11.20 C ATOM 574 O ALA A 385 19.010 9.404 37.501 1.00 10.99 O ATOM 575 CB ALA A 385 17.545 12.213 38.442 1.00 11.78 C ATOM 576 H ALA A 385 15.607 12.042 36.731 1.00 0.00 H ATOM 577 N ALA A 386 16.807 9.155 37.932 1.00 10.86 N ATOM 578 CA ALA A 386 16.907 7.736 38.282 1.00 10.97 C ATOM 579 C ALA A 386 17.315 6.886 37.077 1.00 10.87 C ATOM 580 O ALA A 386 18.150 5.998 37.209 1.00 11.27 O ATOM 581 CB ALA A 386 15.600 7.238 38.873 1.00 11.25 C ATOM 582 H ALA A 386 15.877 9.620 37.968 1.00 0.00 H ATOM 583 N TYR A 387 16.754 7.175 35.906 1.00 10.96 N ATOM 584 CA TYR A 387 17.111 6.441 34.693 1.00 11.12 C ATOM 585 C TYR A 387 18.591 6.638 34.364 1.00 10.91 C ATOM 586 O TYR A 387 19.300 5.672 34.085 1.00 10.75 O ATOM 587 CB TYR A 387 16.219 6.861 33.521 1.00 11.63 C ATOM 588 CG TYR A 387 16.392 5.998 32.282 1.00 11.33 C ATOM 589 CD1 TYR A 387 15.895 4.700 32.241 1.00 13.47 C ATOM 590 CD2 TYR A 387 17.049 6.484 31.152 1.00 12.22 C ATOM 591 CE1 TYR A 387 16.046 3.901 31.112 1.00 13.12 C ATOM 592 CE2 TYR A 387 17.205 5.690 30.014 1.00 12.82 C ATOM 593 CZ TYR A 387 16.703 4.400 30.008 1.00 11.98 C ATOM 594 OH TYR A 387 16.856 3.609 28.897 1.00 12.06 O ATOM 595 HH TYR A 387 16.441 2.725 29.063 1.00 0.00 H ATOM 596 H TYR A 387 16.048 7.937 35.852 1.00 0.00 H ATOM 597 N ARG A 388 19.068 7.881 34.428 1.00 11.09 N ATOM 598 CA ARG A 388 20.482 8.163 34.171 1.00 11.99 C ATOM 599 C ARG A 388 21.379 7.426 35.165 1.00 12.37 C ATOM 600 O ARG A 388 22.405 6.867 34.783 1.00 13.09 O ATOM 601 CB ARG A 388 20.758 9.669 34.177 1.00 12.15 C ATOM 602 CG ARG A 388 20.178 10.382 32.963 1.00 12.31 C ATOM 603 CD ARG A 388 20.073 11.874 33.192 1.00 13.56 C ATOM 604 NE ARG A 388 19.926 12.589 31.927 1.00 14.11 N ATOM 605 CZ ARG A 388 19.665 13.886 31.817 1.00 14.21 C ATOM 606 NH1 ARG A 388 19.513 14.640 32.896 1.00 14.82 N ATOM 607 NH2 ARG A 388 19.578 14.434 30.612 1.00 14.54 N ATOM 608 HE ARG A 388 20.034 12.042 31.049 1.00 0.00 H ATOM 609 HH12 ARG A 388 19.309 15.655 32.797 1.00 0.00 H ATOM 610 HH11 ARG A 388 19.598 14.217 33.842 1.00 0.00 H ATOM 611 HH22 ARG A 388 19.374 15.449 30.516 1.00 0.00 H ATOM 612 HH21 ARG A 388 19.714 13.848 29.763 1.00 0.00 H ATOM 613 H ARG A 388 18.425 8.664 34.664 1.00 0.00 H ATOM 614 N ARG A 389 20.975 7.403 36.435 1.00 12.79 N ATOM 615 CA ARG A 389 21.756 6.710 37.459 1.00 13.44 C ATOM 616 C ARG A 389 21.728 5.194 37.234 1.00 13.21 C ATOM 617 O ARG A 389 22.770 4.534 37.309 1.00 13.79 O ATOM 618 CB ARG A 389 21.273 7.089 38.866 1.00 14.11 C ATOM 619 CG ARG A 389 22.086 6.479 40.010 1.00 18.16 C ATOM 620 CD ARG A 389 21.994 7.344 41.272 1.00 24.66 C ATOM 621 NE ARG A 389 22.981 6.956 42.281 1.00 30.67 N ATOM 622 CZ ARG A 389 23.277 7.665 43.370 1.00 33.37 C ATOM 623 NH1 ARG A 389 22.672 8.823 43.611 1.00 34.59 N ATOM 624 NH2 ARG A 389 24.188 7.213 44.222 1.00 35.06 N ATOM 625 HE ARG A 389 23.489 6.060 42.137 1.00 0.00 H ATOM 626 HH12 ARG A 389 22.912 9.367 44.464 1.00 0.00 H ATOM 627 HH11 ARG A 389 21.959 9.185 42.946 1.00 0.00 H ATOM 628 HH22 ARG A 389 24.422 7.763 45.073 1.00 0.00 H ATOM 629 HH21 ARG A 389 24.668 6.309 44.039 1.00 0.00 H ATOM 630 H ARG A 389 20.092 7.884 36.701 1.00 0.00 H ATOM 631 N ALA A 390 20.549 4.661 36.924 1.00 13.04 N ATOM 632 CA ALA A 390 20.392 3.216 36.716 1.00 13.77 C ATOM 633 C ALA A 390 21.193 2.692 35.536 1.00 14.35 C ATOM 634 O ALA A 390 21.855 1.660 35.647 1.00 14.71 O ATOM 635 CB ALA A 390 18.923 2.842 36.551 1.00 14.26 C ATOM 636 H ALA A 390 19.720 5.282 36.827 1.00 0.00 H ATOM 637 N ILE A 391 21.130 3.375 34.399 1.00 15.00 N ATOM 638 CA ILE A 391 21.774 2.824 33.210 1.00 16.00 C ATOM 639 C ILE A 391 23.300 2.858 33.359 1.00 16.80 C ATOM 640 O ILE A 391 23.991 2.101 32.689 1.00 17.00 O ATOM 641 CB ILE A 391 21.258 3.428 31.870 1.00 16.28 C ATOM 642 CG1 ILE A 391 21.607 4.914 31.774 1.00 15.09 C ATOM 643 CG2 ILE A 391 19.757 3.141 31.690 1.00 16.74 C ATOM 644 CD1 ILE A 391 21.102 5.610 30.503 1.00 16.61 C ATOM 645 H ILE A 391 20.631 4.286 34.356 1.00 0.00 H ATOM 646 N ALA A 392 23.818 3.688 34.274 1.00 17.28 N ATOM 647 CA ALA A 392 25.247 3.671 34.610 1.00 18.36 C ATOM 648 C ALA A 392 25.659 2.351 35.278 1.00 18.55 C ATOM 649 O ALA A 392 26.836 1.969 35.245 1.00 19.34 O ATOM 650 CB ALA A 392 25.624 4.860 35.477 1.00 18.75 C ATOM 651 H ALA A 392 23.192 4.362 34.759 1.00 0.00 H ATOM 652 N ALA A 393 24.692 1.630 35.840 1.00 18.57 N ATOM 653 CA ALA A 393 24.972 0.302 36.391 1.00 18.49 C ATOM 654 C ALA A 393 24.976 -0.819 35.340 1.00 18.76 C ATOM 655 O ALA A 393 25.285 -1.972 35.649 1.00 19.18 O ATOM 656 CB ALA A 393 24.007 -0.029 37.526 1.00 18.27 C ATOM 657 H ALA A 393 23.727 2.014 35.889 1.00 0.00 H ATOM 658 N LYS A 394 24.626 -0.492 34.099 1.00 18.36 N ATOM 659 CA LYS A 394 24.749 -1.449 33.006 1.00 18.14 C ATOM 660 C LYS A 394 26.222 -1.631 32.635 1.00 17.92 C ATOM 661 O LYS A 394 27.052 -0.742 32.837 1.00 17.95 O ATOM 662 CB LYS A 394 23.929 -1.009 31.791 1.00 18.29 C ATOM 663 CG LYS A 394 22.432 -1.231 31.924 1.00 19.33 C ATOM 664 CD LYS A 394 21.737 -0.703 30.684 1.00 21.39 C ATOM 665 CE LYS A 394 20.359 -1.290 30.526 1.00 23.57 C ATOM 666 NZ LYS A 394 19.892 -1.132 29.123 1.00 25.59 N ATOM 667 HZ1 LYS A 394 19.862 -0.121 28.881 1.00 0.00 H ATOM 668 HZ2 LYS A 394 20.548 -1.624 28.483 1.00 0.00 H ATOM 669 HZ3 LYS A 394 18.941 -1.541 29.027 1.00 0.00 H ATOM 670 H LYS A 394 24.259 0.462 33.905 1.00 0.00 H ATOM 671 N SER A 395 26.540 -2.804 32.107 1.00 17.12 N ATOM 672 CA SER A 395 27.897 -3.112 31.663 1.00 16.45 C ATOM 673 C SER A 395 27.880 -3.265 30.146 1.00 16.27 C ATOM 674 O SER A 395 26.830 -3.137 29.526 1.00 15.91 O ATOM 675 CB SER A 395 28.375 -4.408 32.320 1.00 16.22 C ATOM 676 OG SER A 395 27.699 -5.531 31.774 1.00 15.08 O ATOM 677 HG SER A 395 26.726 -5.435 31.927 1.00 0.00 H ATOM 678 H SER A 395 25.800 -3.528 32.006 1.00 0.00 H ATOM 679 N ASP A 396 29.030 -3.578 29.546 1.00 16.48 N ATOM 680 CA ASP A 396 29.065 -3.860 28.111 1.00 16.90 C ATOM 681 C ASP A 396 28.093 -4.974 27.737 1.00 17.29 C ATOM 682 O ASP A 396 27.517 -4.973 26.650 1.00 17.70 O ATOM 683 CB ASP A 396 30.471 -4.269 27.670 1.00 17.16 C ATOM 684 CG ASP A 396 31.468 -3.142 27.750 1.00 18.04 C ATOM 685 OD1 ASP A 396 31.065 -1.965 27.899 1.00 20.60 O ATOM 686 OD2 ASP A 396 32.671 -3.451 27.653 1.00 20.34 O ATOM 687 H ASP A 396 29.908 -3.622 30.102 1.00 0.00 H ATOM 688 N LEU A 397 27.913 -5.923 28.653 1.00 17.56 N ATOM 689 CA LEU A 397 27.032 -7.049 28.413 1.00 18.54 C ATOM 690 C LEU A 397 25.605 -6.590 28.117 1.00 19.48 C ATOM 691 O LEU A 397 24.991 -7.041 27.147 1.00 20.07 O ATOM 692 CB LEU A 397 27.086 -8.027 29.597 1.00 18.52 C ATOM 693 CG LEU A 397 26.518 -9.447 29.481 1.00 18.25 C ATOM 694 CD1 LEU A 397 24.992 -9.429 29.576 1.00 18.84 C ATOM 695 CD2 LEU A 397 26.987 -10.176 28.209 1.00 18.09 C ATOM 696 H LEU A 397 28.416 -5.855 29.561 1.00 0.00 H ATOM 697 N GLU A 398 25.084 -5.676 28.933 1.00 20.49 N ATOM 698 CA GLU A 398 23.716 -5.201 28.749 1.00 22.17 C ATOM 699 C GLU A 398 23.599 -4.295 27.524 1.00 23.81 C ATOM 700 O GLU A 398 22.614 -4.379 26.782 1.00 24.23 O ATOM 701 CB GLU A 398 23.205 -4.486 30.004 1.00 21.64 C ATOM 702 CG GLU A 398 22.858 -5.421 31.172 1.00 20.31 C ATOM 703 CD GLU A 398 24.081 -5.886 31.949 1.00 17.59 C ATOM 704 OE1 GLU A 398 25.007 -5.075 32.166 1.00 18.04 O ATOM 705 OE2 GLU A 398 24.115 -7.063 32.353 1.00 17.02 O ATOM 706 H GLU A 398 25.659 -5.296 29.712 1.00 0.00 H ATOM 707 N ARG A 399 24.618 -3.459 27.307 1.00 25.17 N ATOM 708 CA ARG A 399 24.605 -2.514 26.191 1.00 25.93 C ATOM 709 C ARG A 399 24.625 -3.204 24.826 1.00 27.00 C ATOM 710 O ARG A 399 24.188 -2.625 23.830 1.00 27.21 O ATOM 711 CB ARG A 399 25.745 -1.502 26.318 1.00 25.70 C ATOM 712 CG ARG A 399 25.482 -0.426 27.361 1.00 24.70 C ATOM 713 CD ARG A 399 26.546 0.655 27.340 1.00 23.16 C ATOM 714 NE ARG A 399 27.833 0.164 27.822 1.00 21.39 N ATOM 715 CZ ARG A 399 28.185 0.127 29.103 1.00 20.74 C ATOM 716 NH1 ARG A 399 27.343 0.552 30.037 1.00 20.40 N ATOM 717 NH2 ARG A 399 29.380 -0.336 29.451 1.00 20.75 N ATOM 718 HE ARG A 399 28.518 -0.179 27.119 1.00 0.00 H ATOM 719 HH12 ARG A 399 27.620 0.522 31.039 1.00 0.00 H ATOM 720 HH11 ARG A 399 26.406 0.915 29.767 1.00 0.00 H ATOM 721 HH22 ARG A 399 29.655 -0.365 30.454 1.00 0.00 H ATOM 722 HH21 ARG A 399 30.041 -0.670 28.721 1.00 0.00 H ATOM 723 H ARG A 399 25.439 -3.481 27.946 1.00 0.00 H ATOM 724 N GLN A 400 25.109 -4.442 24.785 1.00 28.10 N ATOM 725 CA GLN A 400 25.151 -5.196 23.535 1.00 29.56 C ATOM 726 C GLN A 400 24.087 -6.293 23.536 1.00 29.70 C ATOM 727 O GLN A 400 23.536 -6.639 22.487 1.00 30.15 O ATOM 728 CB GLN A 400 26.560 -5.759 23.290 1.00 30.00 C ATOM 729 CG GLN A 400 26.738 -7.240 23.582 1.00 31.92 C ATOM 730 CD GLN A 400 26.371 -8.120 22.396 1.00 33.75 C ATOM 731 OE1 GLN A 400 25.656 -9.111 22.545 1.00 34.36 O ATOM 732 NE2 GLN A 400 26.847 -7.751 21.209 1.00 35.08 N ATOM 733 HE22 GLN A 400 27.448 -6.906 21.130 1.00 0.00 H ATOM 734 HE21 GLN A 400 26.618 -8.308 20.361 1.00 0.00 H ATOM 735 H GLN A 400 25.464 -4.881 25.659 1.00 0.00 H TER 736 GLN A 400 ATOM 737 N LYS A 405 13.965 -3.094 25.698 1.00 22.83 N ATOM 738 CA LYS A 405 13.818 -1.645 25.571 1.00 22.35 C ATOM 739 C LYS A 405 13.326 -0.998 26.871 1.00 21.16 C ATOM 740 O LYS A 405 12.275 -1.357 27.398 1.00 21.97 O ATOM 741 CB LYS A 405 12.872 -1.301 24.409 1.00 23.05 C ATOM 742 CG LYS A 405 13.363 -1.738 23.021 1.00 23.96 C ATOM 743 CD LYS A 405 14.426 -0.789 22.482 1.00 24.53 C ATOM 744 CE LYS A 405 14.903 -1.166 21.088 1.00 24.74 C ATOM 745 NZ LYS A 405 15.931 -2.247 21.106 1.00 26.31 N ATOM 746 HZ1 LYS A 405 16.757 -1.929 21.652 1.00 0.00 H ATOM 747 HZ2 LYS A 405 15.529 -3.098 21.548 1.00 0.00 H ATOM 748 HZ3 LYS A 405 16.221 -2.465 20.131 1.00 0.00 H ATOM 749 HN3 LYS A 405 13.045 -3.514 25.942 1.00 0.00 H ATOM 750 HN2 LYS A 405 14.654 -3.307 26.447 1.00 0.00 H ATOM 751 HN1 LYS A 405 14.299 -3.488 24.795 1.00 0.00 H ATOM 752 N THR A 406 14.102 -0.043 27.378 1.00 18.41 N ATOM 753 CA THR A 406 13.748 0.716 28.582 1.00 15.68 C ATOM 754 C THR A 406 13.763 2.200 28.224 1.00 13.70 C ATOM 755 O THR A 406 14.305 2.582 27.189 1.00 13.58 O ATOM 756 CB THR A 406 14.751 0.500 29.725 1.00 15.52 C ATOM 757 OG1 THR A 406 16.028 1.037 29.353 1.00 13.91 O ATOM 758 CG2 THR A 406 14.870 -0.988 30.105 1.00 17.07 C ATOM 759 HG1 THR A 406 16.353 0.578 28.538 1.00 0.00 H ATOM 760 H THR A 406 14.999 0.175 26.899 1.00 0.00 H ATOM 761 N GLY A 407 13.185 3.043 29.077 1.00 12.44 N ATOM 762 CA GLY A 407 13.134 4.467 28.789 1.00 11.89 C ATOM 763 C GLY A 407 12.158 5.171 29.698 1.00 11.37 C ATOM 764 O GLY A 407 11.517 4.543 30.550 1.00 11.42 O ATOM 765 H GLY A 407 12.766 2.680 29.957 1.00 0.00 H ATOM 766 N VAL A 408 12.060 6.486 29.521 1.00 10.98 N ATOM 767 CA VAL A 408 11.236 7.325 30.374 1.00 11.86 C ATOM 768 C VAL A 408 10.646 8.469 29.557 1.00 11.09 C ATOM 769 O VAL A 408 11.340 9.123 28.769 1.00 11.34 O ATOM 770 CB VAL A 408 12.049 7.965 31.544 1.00 12.67 C ATOM 771 CG1 VAL A 408 11.111 8.615 32.550 1.00 14.09 C ATOM 772 CG2 VAL A 408 12.931 6.959 32.239 1.00 15.22 C ATOM 773 H VAL A 408 12.592 6.929 28.745 1.00 0.00 H ATOM 774 N PHE A 409 9.357 8.706 29.769 1.00 10.24 N ATOM 775 CA PHE A 409 8.634 9.839 29.196 1.00 10.91 C ATOM 776 C PHE A 409 9.082 11.136 29.877 1.00 11.20 C ATOM 777 O PHE A 409 9.246 11.181 31.100 1.00 11.86 O ATOM 778 CB PHE A 409 7.143 9.550 29.399 1.00 10.79 C ATOM 779 CG PHE A 409 6.183 10.637 28.956 1.00 10.59 C ATOM 780 CD1 PHE A 409 6.306 11.293 27.733 1.00 11.29 C ATOM 781 CD2 PHE A 409 5.072 10.924 29.751 1.00 11.59 C ATOM 782 CE1 PHE A 409 5.363 12.263 27.350 1.00 11.75 C ATOM 783 CE2 PHE A 409 4.128 11.876 29.370 1.00 12.27 C ATOM 784 CZ PHE A 409 4.269 12.541 28.172 1.00 12.23 C ATOM 785 H PHE A 409 8.831 8.047 30.378 1.00 0.00 H ATOM 786 N LEU A 410 9.295 12.188 29.086 1.00 11.57 N ATOM 787 CA LEU A 410 9.711 13.469 29.656 1.00 11.80 C ATOM 788 C LEU A 410 8.548 14.267 30.224 1.00 11.67 C ATOM 789 O LEU A 410 8.773 15.274 30.900 1.00 12.35 O ATOM 790 CB LEU A 410 10.486 14.319 28.632 1.00 12.02 C ATOM 791 CG LEU A 410 11.761 13.712 28.033 1.00 13.40 C ATOM 792 CD1 LEU A 410 12.533 14.794 27.287 1.00 14.87 C ATOM 793 CD2 LEU A 410 12.653 13.020 29.069 1.00 15.69 C ATOM 794 H LEU A 410 9.165 12.097 28.058 1.00 0.00 H ATOM 795 N GLY A 411 7.321 13.829 29.949 1.00 11.86 N ATOM 796 CA GLY A 411 6.127 14.537 30.393 1.00 12.66 C ATOM 797 C GLY A 411 5.696 15.612 29.408 1.00 13.36 C ATOM 798 O GLY A 411 4.732 16.334 29.669 1.00 14.53 O ATOM 799 H GLY A 411 7.211 12.953 29.399 1.00 0.00 H ATOM 800 N SER A 412 6.395 15.696 28.270 1.00 13.32 N ATOM 801 CA SER A 412 6.171 16.735 27.268 1.00 13.52 C ATOM 802 C SER A 412 6.040 16.169 25.863 1.00 12.65 C ATOM 803 O SER A 412 6.391 15.008 25.611 1.00 12.49 O ATOM 804 CB SER A 412 7.303 17.748 27.285 1.00 14.39 C ATOM 805 OG SER A 412 8.533 17.101 27.089 1.00 17.52 O ATOM 806 HG SER A 412 9.262 17.770 27.102 1.00 0.00 H ATOM 807 H SER A 412 7.134 14.987 28.090 1.00 0.00 H ATOM 808 N TYR A 413 5.553 17.021 24.958 1.00 12.42 N ATOM 809 CA TYR A 413 5.205 16.632 23.592 1.00 12.32 C ATOM 810 C TYR A 413 5.913 17.494 22.568 1.00 12.36 C ATOM 811 O TYR A 413 6.238 18.656 22.828 1.00 13.40 O ATOM 812 CB TYR A 413 3.686 16.724 23.383 1.00 12.81 C ATOM 813 CG TYR A 413 2.932 15.821 24.320 1.00 13.90 C ATOM 814 CD1 TYR A 413 2.630 16.241 25.613 1.00 16.04 C ATOM 815 CD2 TYR A 413 2.552 14.536 23.934 1.00 16.14 C ATOM 816 CE1 TYR A 413 1.961 15.422 26.492 1.00 18.04 C ATOM 817 CE2 TYR A 413 1.878 13.697 24.822 1.00 17.80 C ATOM 818 CZ TYR A 413 1.589 14.159 26.100 1.00 18.34 C ATOM 819 OH TYR A 413 0.920 13.367 27.005 1.00 21.37 O ATOM 820 HH TYR A 413 1.443 12.543 27.170 1.00 0.00 H ATOM 821 H TYR A 413 5.414 18.013 25.239 1.00 0.00 H ATOM 822 N ALA A 414 6.153 16.904 21.402 1.00 12.07 N ATOM 823 CA ALA A 414 6.613 17.638 20.236 1.00 12.68 C ATOM 824 C ALA A 414 5.522 17.548 19.168 1.00 12.73 C ATOM 825 O ALA A 414 4.597 16.733 19.270 1.00 14.16 O ATOM 826 CB ALA A 414 7.938 17.074 19.728 1.00 12.60 C ATOM 827 H ALA A 414 6.006 15.878 21.321 1.00 0.00 H ATOM 828 N ILE A 415 5.617 18.393 18.150 1.00 12.17 N ATOM 829 CA ILE A 415 4.648 18.385 17.065 1.00 11.98 C ATOM 830 C ILE A 415 5.257 17.725 15.832 1.00 11.42 C ATOM 831 O ILE A 415 6.313 18.119 15.359 1.00 11.30 O ATOM 832 CB ILE A 415 4.149 19.814 16.737 1.00 12.41 C ATOM 833 CG1 ILE A 415 3.513 20.466 17.981 1.00 14.17 C ATOM 834 CG2 ILE A 415 3.174 19.784 15.557 1.00 12.33 C ATOM 835 CD1 ILE A 415 2.283 19.736 18.507 1.00 15.59 C ATOM 836 H ILE A 415 6.401 19.076 18.127 1.00 0.00 H ATOM 837 N ASN A 416 4.592 16.692 15.344 1.00 10.65 N ATOM 838 CA ASN A 416 5.002 16.055 14.100 1.00 10.84 C ATOM 839 C ASN A 416 4.735 17.034 12.956 1.00 11.30 C ATOM 840 O ASN A 416 3.592 17.451 12.765 1.00 11.46 O ATOM 841 CB ASN A 416 4.236 14.740 13.922 1.00 11.14 C ATOM 842 CG ASN A 416 4.578 14.024 12.629 1.00 10.93 C ATOM 843 OD1 ASN A 416 4.696 14.635 11.573 1.00 12.57 O ATOM 844 ND2 ASN A 416 4.707 12.712 12.703 1.00 10.68 N ATOM 845 HD22 ASN A 416 4.600 12.230 13.618 1.00 0.00 H ATOM 846 HD21 ASN A 416 4.916 12.161 11.846 1.00 0.00 H ATOM 847 H ASN A 416 3.763 16.328 15.856 1.00 0.00 H ATOM 848 N PRO A 417 5.789 17.422 12.211 1.00 11.95 N ATOM 849 CA PRO A 417 5.579 18.476 11.216 1.00 12.76 C ATOM 850 C PRO A 417 4.720 18.044 10.021 1.00 12.79 C ATOM 851 O PRO A 417 4.154 18.901 9.340 1.00 13.97 O ATOM 852 CB PRO A 417 7.004 18.832 10.779 1.00 13.12 C ATOM 853 CG PRO A 417 7.796 17.607 11.014 1.00 13.48 C ATOM 854 CD PRO A 417 7.206 17.010 12.273 1.00 12.14 C ATOM 855 N ALA A 418 4.614 16.743 9.765 1.00 12.39 N ATOM 856 CA ALA A 418 3.809 16.262 8.636 1.00 12.75 C ATOM 857 C ALA A 418 2.316 16.360 8.904 1.00 13.41 C ATOM 858 O ALA A 418 1.564 16.851 8.065 1.00 13.55 O ATOM 859 CB ALA A 418 4.182 14.832 8.284 1.00 12.86 C ATOM 860 H ALA A 418 5.108 16.058 10.372 1.00 0.00 H ATOM 861 N ASN A 419 1.887 15.892 10.074 1.00 14.22 N ATOM 862 CA ASN A 419 0.458 15.816 10.373 1.00 15.13 C ATOM 863 C ASN A 419 -0.009 16.793 11.442 1.00 15.15 C ATOM 864 O ASN A 419 -1.205 16.867 11.716 1.00 16.30 O ATOM 865 CB ASN A 419 0.051 14.382 10.745 1.00 14.88 C ATOM 866 CG ASN A 419 0.840 13.832 11.919 1.00 15.11 C ATOM 867 OD1 ASN A 419 1.429 14.582 12.697 1.00 14.64 O ATOM 868 ND2 ASN A 419 0.849 12.515 12.053 1.00 16.09 N ATOM 869 HD22 ASN A 419 0.337 11.919 11.371 1.00 0.00 H ATOM 870 HD21 ASN A 419 1.368 12.076 12.840 1.00 0.00 H ATOM 871 H ASN A 419 2.577 15.576 10.785 1.00 0.00 H ATOM 872 N GLY A 420 0.924 17.528 12.045 1.00 15.29 N ATOM 873 CA GLY A 420 0.595 18.503 13.089 1.00 15.61 C ATOM 874 C GLY A 420 0.195 17.901 14.426 1.00 16.05 C ATOM 875 O GLY A 420 -0.254 18.615 15.321 1.00 17.32 O ATOM 876 H GLY A 420 1.918 17.406 11.766 1.00 0.00 H ATOM 877 N GLU A 421 0.372 16.592 14.574 1.00 15.46 N ATOM 878 CA GLU A 421 -0.066 15.890 15.775 1.00 15.93 C ATOM 879 C GLU A 421 0.966 15.938 16.893 1.00 14.83 C ATOM 880 O GLU A 421 2.176 15.847 16.642 1.00 13.68 O ATOM 881 CB GLU A 421 -0.412 14.439 15.445 1.00 16.75 C ATOM 882 CG GLU A 421 -1.624 14.275 14.524 1.00 20.93 C ATOM 883 CD GLU A 421 -2.951 14.532 15.218 1.00 25.14 C ATOM 884 OE1 GLU A 421 -3.012 14.453 16.467 1.00 27.19 O ATOM 885 OE2 GLU A 421 -3.942 14.811 14.510 1.00 28.17 O ATOM 886 H GLU A 421 0.835 16.054 13.814 1.00 0.00 H ATOM 887 N PRO A 422 0.495 16.062 18.148 1.00 14.27 N ATOM 888 CA PRO A 422 1.436 15.976 19.252 1.00 13.91 C ATOM 889 C PRO A 422 1.928 14.544 19.397 1.00 13.53 C ATOM 890 O PRO A 422 1.142 13.602 19.227 1.00 15.14 O ATOM 891 CB PRO A 422 0.593 16.372 20.466 1.00 14.42 C ATOM 892 CG PRO A 422 -0.786 16.058 20.090 1.00 15.81 C ATOM 893 CD PRO A 422 -0.886 16.295 18.616 1.00 14.62 C ATOM 894 N VAL A 423 3.221 14.396 19.673 1.00 12.13 N ATOM 895 CA VAL A 423 3.810 13.096 19.942 1.00 11.51 C ATOM 896 C VAL A 423 4.638 13.177 21.229 1.00 10.75 C ATOM 897 O VAL A 423 5.340 14.161 21.458 1.00 10.87 O ATOM 898 CB VAL A 423 4.656 12.570 18.740 1.00 11.74 C ATOM 899 CG1 VAL A 423 3.795 12.368 17.484 1.00 12.16 C ATOM 900 CG2 VAL A 423 5.834 13.486 18.429 1.00 12.33 C ATOM 901 H VAL A 423 3.830 15.239 19.697 1.00 0.00 H ATOM 902 N PRO A 424 4.545 12.149 22.091 1.00 10.23 N ATOM 903 CA PRO A 424 5.291 12.193 23.355 1.00 10.22 C ATOM 904 C PRO A 424 6.800 12.060 23.143 1.00 9.75 C ATOM 905 O PRO A 424 7.250 11.381 22.205 1.00 10.43 O ATOM 906 CB PRO A 424 4.732 10.994 24.126 1.00 10.58 C ATOM 907 CG PRO A 424 4.262 10.047 23.066 1.00 10.99 C ATOM 908 CD PRO A 424 3.726 10.923 21.970 1.00 10.25 C ATOM 909 N ILE A 425 7.572 12.716 24.010 1.00 9.81 N ATOM 910 CA ILE A 425 9.027 12.699 23.953 1.00 9.83 C ATOM 911 C ILE A 425 9.556 11.814 25.067 1.00 9.87 C ATOM 912 O ILE A 425 9.196 11.993 26.243 1.00 10.72 O ATOM 913 CB ILE A 425 9.632 14.108 24.118 1.00 9.93 C ATOM 914 CG1 ILE A 425 9.008 15.113 23.137 1.00 10.49 C ATOM 915 CG2 ILE A 425 11.146 14.041 23.951 1.00 10.84 C ATOM 916 CD1 ILE A 425 9.302 16.578 23.498 1.00 12.14 C ATOM 917 H ILE A 425 7.113 13.266 24.763 1.00 0.00 H ATOM 918 N PHE A 426 10.428 10.882 24.696 1.00 9.86 N ATOM 919 CA PHE A 426 11.079 9.981 25.642 1.00 9.76 C ATOM 920 C PHE A 426 12.588 10.142 25.600 1.00 9.99 C ATOM 921 O PHE A 426 13.139 10.602 24.598 1.00 10.45 O ATOM 922 CB PHE A 426 10.785 8.521 25.270 1.00 10.11 C ATOM 923 CG PHE A 426 9.373 8.092 25.525 1.00 10.04 C ATOM 924 CD1 PHE A 426 8.347 8.468 24.663 1.00 11.21 C ATOM 925 CD2 PHE A 426 9.064 7.295 26.632 1.00 11.31 C ATOM 926 CE1 PHE A 426 7.034 8.061 24.888 1.00 12.21 C ATOM 927 CE2 PHE A 426 7.753 6.896 26.867 1.00 11.80 C ATOM 928 CZ PHE A 426 6.737 7.288 26.002 1.00 11.92 C ATOM 929 H PHE A 426 10.657 10.791 23.686 1.00 0.00 H ATOM 930 N ILE A 427 13.259 9.736 26.679 1.00 10.09 N ATOM 931 CA ILE A 427 14.649 9.287 26.566 1.00 10.88 C ATOM 932 C ILE A 427 14.718 7.775 26.655 1.00 10.63 C ATOM 933 O ILE A 427 13.889 7.146 27.302 1.00 10.24 O ATOM 934 CB ILE A 427 15.606 9.913 27.616 1.00 11.04 C ATOM 935 CG1 ILE A 427 15.145 9.640 29.055 1.00 12.15 C ATOM 936 CG2 ILE A 427 15.791 11.380 27.330 1.00 11.54 C ATOM 937 CD1 ILE A 427 16.206 9.970 30.123 1.00 14.12 C ATOM 938 H ILE A 427 12.792 9.738 27.608 1.00 0.00 H ATOM 939 N ALA A 428 15.703 7.195 25.987 1.00 10.68 N ATOM 940 CA ALA A 428 15.881 5.747 26.007 1.00 11.32 C ATOM 941 C ALA A 428 17.297 5.443 25.580 1.00 11.53 C ATOM 942 O ALA A 428 17.821 6.059 24.646 1.00 11.48 O ATOM 943 CB ALA A 428 14.881 5.064 25.081 1.00 11.42 C ATOM 944 H ALA A 428 16.362 7.783 25.438 1.00 0.00 H ATOM 945 N ASP A 429 17.926 4.489 26.257 1.00 11.97 N ATOM 946 CA ASP A 429 19.323 4.209 25.970 1.00 12.52 C ATOM 947 C ASP A 429 19.573 3.472 24.646 1.00 12.45 C ATOM 948 O ASP A 429 20.727 3.277 24.272 1.00 13.82 O ATOM 949 CB ASP A 429 20.044 3.565 27.177 1.00 13.10 C ATOM 950 CG ASP A 429 19.613 2.132 27.462 1.00 14.26 C ATOM 951 OD1 ASP A 429 18.680 1.592 26.824 1.00 15.27 O ATOM 952 OD2 ASP A 429 20.242 1.530 28.365 1.00 16.94 O ATOM 953 H ASP A 429 17.422 3.946 26.987 1.00 0.00 H ATOM 954 N TYR A 430 18.510 3.124 23.915 1.00 12.05 N ATOM 955 CA TYR A 430 18.697 2.584 22.560 1.00 12.11 C ATOM 956 C TYR A 430 19.094 3.650 21.550 1.00 11.70 C ATOM 957 O TYR A 430 19.549 3.325 20.454 1.00 12.28 O ATOM 958 CB TYR A 430 17.521 1.714 22.081 1.00 12.04 C ATOM 959 CG TYR A 430 16.265 2.347 21.480 1.00 11.22 C ATOM 960 CD1 TYR A 430 15.192 2.740 22.287 1.00 11.13 C ATOM 961 CD2 TYR A 430 16.094 2.423 20.091 1.00 11.34 C ATOM 962 CE1 TYR A 430 14.012 3.251 21.736 1.00 10.28 C ATOM 963 CE2 TYR A 430 14.913 2.928 19.527 1.00 11.73 C ATOM 964 CZ TYR A 430 13.880 3.336 20.355 1.00 11.27 C ATOM 965 OH TYR A 430 12.711 3.813 19.807 1.00 12.14 O ATOM 966 HH TYR A 430 12.303 3.111 19.240 1.00 0.00 H ATOM 967 H TYR A 430 17.552 3.235 24.304 1.00 0.00 H ATOM 968 N VAL A 431 18.949 4.918 21.938 1.00 11.58 N ATOM 969 CA VAL A 431 19.384 6.048 21.125 1.00 11.87 C ATOM 970 C VAL A 431 20.717 6.558 21.671 1.00 12.55 C ATOM 971 O VAL A 431 20.827 6.868 22.866 1.00 12.72 O ATOM 972 CB VAL A 431 18.303 7.155 21.081 1.00 11.19 C ATOM 973 CG1 VAL A 431 18.801 8.379 20.318 1.00 11.75 C ATOM 974 CG2 VAL A 431 17.049 6.608 20.431 1.00 12.14 C ATOM 975 H VAL A 431 18.507 5.109 22.860 1.00 0.00 H ATOM 976 N LEU A 432 21.722 6.609 20.795 1.00 13.78 N ATOM 977 CA LEU A 432 23.098 6.960 21.159 1.00 15.68 C ATOM 978 C LEU A 432 23.351 8.454 21.032 1.00 16.42 C ATOM 979 O LEU A 432 23.032 9.054 20.004 1.00 16.28 O ATOM 980 CB LEU A 432 24.080 6.197 20.267 1.00 16.37 C ATOM 981 CG LEU A 432 23.953 4.673 20.232 1.00 18.86 C ATOM 982 CD1 LEU A 432 24.871 4.101 19.157 1.00 21.56 C ATOM 983 CD2 LEU A 432 24.231 4.044 21.600 1.00 21.32 C ATOM 984 H LEU A 432 21.518 6.388 19.799 1.00 0.00 H ATOM 985 N ALA A 433 23.955 9.047 22.061 1.00 17.58 N ATOM 986 CA ALA A 433 24.146 10.501 22.119 1.00 18.70 C ATOM 987 C ALA A 433 25.066 11.069 21.041 1.00 19.65 C ATOM 988 O ALA A 433 24.816 12.157 20.504 1.00 20.76 O ATOM 989 CB ALA A 433 24.639 10.921 23.502 1.00 18.59 C ATOM 990 H ALA A 433 24.302 8.461 22.847 1.00 0.00 H ATOM 991 N GLY A 434 26.125 10.333 20.728 1.00 19.89 N ATOM 992 CA GLY A 434 27.159 10.832 19.823 1.00 20.01 C ATOM 993 C GLY A 434 26.997 10.465 18.361 1.00 19.63 C ATOM 994 O GLY A 434 27.945 10.584 17.580 1.00 20.64 O ATOM 995 H GLY A 434 26.221 9.381 21.135 1.00 0.00 H ATOM 996 N TYR A 435 25.796 10.033 17.985 1.00 18.88 N ATOM 997 CA TYR A 435 25.521 9.582 16.630 1.00 17.91 C ATOM 998 C TYR A 435 24.363 10.355 16.009 1.00 16.76 C ATOM 999 O TYR A 435 23.339 10.573 16.654 1.00 15.73 O ATOM 1000 CB TYR A 435 25.201 8.086 16.630 1.00 18.77 C ATOM 1001 CG TYR A 435 25.204 7.506 15.248 1.00 20.56 C ATOM 1002 CD1 TYR A 435 26.407 7.194 14.607 1.00 22.45 C ATOM 1003 CD2 TYR A 435 24.014 7.290 14.563 1.00 21.69 C ATOM 1004 CE1 TYR A 435 26.415 6.677 13.322 1.00 24.40 C ATOM 1005 CE2 TYR A 435 24.012 6.770 13.278 1.00 23.22 C ATOM 1006 CZ TYR A 435 25.216 6.466 12.666 1.00 24.38 C ATOM 1007 OH TYR A 435 25.227 5.952 11.396 1.00 26.07 O ATOM 1008 HH TYR A 435 26.163 5.794 11.113 1.00 0.00 H ATOM 1009 H TYR A 435 25.027 10.017 18.685 1.00 0.00 H ATOM 1010 N GLY A 436 24.517 10.745 14.746 1.00 16.07 N ATOM 1011 CA GLY A 436 23.496 11.539 14.063 1.00 15.35 C ATOM 1012 C GLY A 436 23.300 12.853 14.794 1.00 15.04 C ATOM 1013 O GLY A 436 24.248 13.604 14.986 1.00 15.70 O ATOM 1014 H GLY A 436 25.382 10.479 14.233 1.00 0.00 H ATOM 1015 N THR A 437 22.072 13.113 15.230 1.00 14.09 N ATOM 1016 CA THR A 437 21.772 14.302 16.028 1.00 13.89 C ATOM 1017 C THR A 437 21.559 13.929 17.498 1.00 13.50 C ATOM 1018 O THR A 437 21.251 14.795 18.320 1.00 14.02 O ATOM 1019 CB THR A 437 20.479 14.972 15.549 1.00 13.58 C ATOM 1020 OG1 THR A 437 19.400 14.048 15.744 1.00 13.69 O ATOM 1021 CG2 THR A 437 20.566 15.371 14.078 1.00 14.88 C ATOM 1022 HG1 THR A 437 18.554 14.462 15.440 1.00 0.00 H ATOM 1023 H THR A 437 21.303 12.453 14.998 1.00 0.00 H ATOM 1024 N GLY A 438 21.701 12.645 17.824 1.00 12.67 N ATOM 1025 CA GLY A 438 21.384 12.152 19.167 1.00 12.11 C ATOM 1026 C GLY A 438 19.894 12.057 19.462 1.00 11.36 C ATOM 1027 O GLY A 438 19.497 11.863 20.615 1.00 11.82 O ATOM 1028 H GLY A 438 22.046 11.975 17.107 1.00 0.00 H ATOM 1029 N ALA A 439 19.064 12.178 18.427 1.00 10.76 N ATOM 1030 CA ALA A 439 17.616 12.047 18.565 1.00 10.28 C ATOM 1031 C ALA A 439 17.033 11.390 17.325 1.00 9.95 C ATOM 1032 O ALA A 439 17.519 11.601 16.202 1.00 10.39 O ATOM 1033 CB ALA A 439 16.960 13.413 18.789 1.00 11.04 C ATOM 1034 H ALA A 439 19.462 12.373 17.486 1.00 0.00 H ATOM 1035 N ILE A 440 15.965 10.630 17.527 1.00 9.60 N ATOM 1036 CA ILE A 440 15.255 9.961 16.439 1.00 9.49 C ATOM 1037 C ILE A 440 13.779 10.301 16.458 1.00 8.98 C ATOM 1038 O ILE A 440 13.218 10.654 17.500 1.00 9.25 O ATOM 1039 CB ILE A 440 15.424 8.402 16.468 1.00 9.87 C ATOM 1040 CG1 ILE A 440 14.741 7.783 17.697 1.00 10.30 C ATOM 1041 CG2 ILE A 440 16.897 8.013 16.357 1.00 10.44 C ATOM 1042 CD1 ILE A 440 14.585 6.265 17.636 1.00 10.96 C ATOM 1043 H ILE A 440 15.619 10.505 18.500 1.00 0.00 H ATOM 1044 N MET A 441 13.157 10.216 15.289 1.00 8.87 N ATOM 1045 CA MET A 441 11.714 10.036 15.246 1.00 9.21 C ATOM 1046 C MET A 441 11.471 8.530 15.295 1.00 9.22 C ATOM 1047 O MET A 441 12.236 7.760 14.703 1.00 10.17 O ATOM 1048 CB MET A 441 11.090 10.674 14.003 1.00 9.80 C ATOM 1049 CG MET A 441 11.375 9.967 12.686 1.00 10.28 C ATOM 1050 SD MET A 441 10.695 10.913 11.308 1.00 10.95 S ATOM 1051 CE MET A 441 10.709 9.653 10.026 1.00 10.41 C ATOM 1052 H MET A 441 13.700 10.278 14.404 1.00 0.00 H ATOM 1053 N ALA A 442 10.451 8.100 16.029 1.00 8.93 N ATOM 1054 CA ALA A 442 10.172 6.676 16.149 1.00 8.65 C ATOM 1055 C ALA A 442 8.974 6.293 15.297 1.00 8.61 C ATOM 1056 O ALA A 442 7.910 6.901 15.398 1.00 9.30 O ATOM 1057 CB ALA A 442 9.965 6.298 17.598 1.00 9.49 C ATOM 1058 H ALA A 442 9.846 8.787 16.523 1.00 0.00 H ATOM 1059 N VAL A 443 9.180 5.288 14.440 1.00 8.70 N ATOM 1060 CA VAL A 443 8.174 4.813 13.500 1.00 9.36 C ATOM 1061 C VAL A 443 8.028 3.311 13.739 1.00 9.68 C ATOM 1062 O VAL A 443 8.664 2.500 13.056 1.00 9.80 O ATOM 1063 CB VAL A 443 8.563 5.107 12.019 1.00 9.49 C ATOM 1064 CG1 VAL A 443 7.472 4.611 11.057 1.00 10.11 C ATOM 1065 CG2 VAL A 443 8.808 6.596 11.801 1.00 9.45 C ATOM 1066 H VAL A 443 10.109 4.820 14.445 1.00 0.00 H ATOM 1067 N PRO A 444 7.205 2.934 14.733 1.00 9.95 N ATOM 1068 CA PRO A 444 7.105 1.519 15.085 1.00 10.09 C ATOM 1069 C PRO A 444 6.614 0.636 13.945 1.00 10.02 C ATOM 1070 O PRO A 444 6.966 -0.542 13.883 1.00 10.14 O ATOM 1071 CB PRO A 444 6.103 1.498 16.247 1.00 10.95 C ATOM 1072 CG PRO A 444 5.946 2.876 16.691 1.00 12.40 C ATOM 1073 CD PRO A 444 6.464 3.808 15.664 1.00 9.97 C ATOM 1074 N GLY A 445 5.830 1.199 13.033 1.00 9.76 N ATOM 1075 CA GLY A 445 5.342 0.425 11.902 1.00 10.04 C ATOM 1076 C GLY A 445 6.446 -0.112 11.007 1.00 9.93 C ATOM 1077 O GLY A 445 6.246 -1.122 10.334 1.00 10.71 O ATOM 1078 H GLY A 445 5.563 2.200 13.128 1.00 0.00 H ATOM 1079 N HIS A 446 7.606 0.548 10.990 1.00 9.56 N ATOM 1080 CA HIS A 446 8.592 0.336 9.921 1.00 9.46 C ATOM 1081 C HIS A 446 10.030 0.215 10.369 1.00 9.50 C ATOM 1082 O HIS A 446 10.921 0.009 9.551 1.00 10.84 O ATOM 1083 CB HIS A 446 8.378 1.370 8.803 1.00 9.79 C ATOM 1084 CG HIS A 446 6.974 1.352 8.308 1.00 9.85 C ATOM 1085 ND1 HIS A 446 6.457 0.287 7.603 1.00 10.19 N ATOM 1086 CD2 HIS A 446 5.939 2.194 8.528 1.00 9.72 C ATOM 1087 CE1 HIS A 446 5.170 0.489 7.385 1.00 9.86 C ATOM 1088 NE2 HIS A 446 4.831 1.643 7.933 1.00 10.46 N ATOM 1089 H HIS A 446 7.817 1.227 11.749 1.00 0.00 H ATOM 1090 N ASP A 447 10.237 0.286 11.683 1.00 9.47 N ATOM 1091 CA ASP A 447 11.549 0.125 12.287 1.00 9.92 C ATOM 1092 C ASP A 447 11.360 -0.826 13.464 1.00 9.97 C ATOM 1093 O ASP A 447 10.634 -0.504 14.404 1.00 10.38 O ATOM 1094 CB ASP A 447 12.080 1.497 12.726 1.00 9.81 C ATOM 1095 CG ASP A 447 13.462 1.429 13.376 1.00 10.92 C ATOM 1096 OD1 ASP A 447 13.831 0.384 13.964 1.00 12.18 O ATOM 1097 OD2 ASP A 447 14.187 2.443 13.320 1.00 10.90 O ATOM 1098 H ASP A 447 9.423 0.465 12.305 1.00 0.00 H ATOM 1099 N GLN A 448 11.989 -2.001 13.407 1.00 10.62 N ATOM 1100 CA GLN A 448 11.776 -3.028 14.432 1.00 11.49 C ATOM 1101 C GLN A 448 12.181 -2.584 15.833 1.00 11.43 C ATOM 1102 O GLN A 448 11.591 -3.020 16.819 1.00 11.66 O ATOM 1103 CB GLN A 448 12.493 -4.334 14.055 1.00 11.89 C ATOM 1104 CG GLN A 448 12.097 -5.541 14.931 1.00 12.76 C ATOM 1105 CD GLN A 448 10.619 -5.886 14.859 1.00 13.20 C ATOM 1106 OE1 GLN A 448 10.011 -5.890 13.785 1.00 13.96 O ATOM 1107 NE2 GLN A 448 10.031 -6.173 16.010 1.00 15.20 N ATOM 1108 HE22 GLN A 448 10.581 -6.158 16.893 1.00 0.00 H ATOM 1109 HE21 GLN A 448 9.019 -6.413 16.031 1.00 0.00 H ATOM 1110 H GLN A 448 12.643 -2.192 12.621 1.00 0.00 H ATOM 1111 N ARG A 449 13.196 -1.730 15.911 1.00 11.30 N ATOM 1112 CA ARG A 449 13.640 -1.207 17.198 1.00 11.28 C ATOM 1113 C ARG A 449 12.520 -0.382 17.838 1.00 10.95 C ATOM 1114 O ARG A 449 12.251 -0.502 19.036 1.00 11.85 O ATOM 1115 CB ARG A 449 14.906 -0.369 17.021 1.00 11.32 C ATOM 1116 CG ARG A 449 16.024 -1.146 16.346 1.00 12.21 C ATOM 1117 CD ARG A 449 17.153 -0.284 15.827 1.00 13.08 C ATOM 1118 NE ARG A 449 16.711 0.602 14.754 1.00 13.92 N ATOM 1119 CZ ARG A 449 17.519 1.379 14.039 1.00 13.01 C ATOM 1120 NH1 ARG A 449 18.833 1.369 14.256 1.00 14.43 N ATOM 1121 NH2 ARG A 449 17.006 2.170 13.100 1.00 12.91 N ATOM 1122 HE ARG A 449 15.695 0.627 14.534 1.00 0.00 H ATOM 1123 HH12 ARG A 449 19.458 1.980 13.692 1.00 0.00 H ATOM 1124 HH11 ARG A 449 19.234 0.750 14.989 1.00 0.00 H ATOM 1125 HH22 ARG A 449 17.631 2.781 12.536 1.00 0.00 H ATOM 1126 HH21 ARG A 449 15.980 2.177 12.930 1.00 0.00 H ATOM 1127 H ARG A 449 13.681 -1.430 15.041 1.00 0.00 H ATOM 1128 N ASP A 450 11.856 0.440 17.027 1.00 10.60 N ATOM 1129 CA ASP A 450 10.740 1.253 17.500 1.00 9.84 C ATOM 1130 C ASP A 450 9.496 0.408 17.755 1.00 10.34 C ATOM 1131 O ASP A 450 8.724 0.699 18.661 1.00 10.89 O ATOM 1132 CB ASP A 450 10.423 2.385 16.501 1.00 9.38 C ATOM 1133 CG ASP A 450 11.606 3.313 16.241 1.00 9.15 C ATOM 1134 OD1 ASP A 450 12.528 3.432 17.086 1.00 9.97 O ATOM 1135 OD2 ASP A 450 11.596 3.951 15.159 1.00 9.41 O ATOM 1136 H ASP A 450 12.141 0.504 16.029 1.00 0.00 H ATOM 1137 N TRP A 451 9.302 -0.629 16.943 1.00 10.09 N ATOM 1138 CA TRP A 451 8.196 -1.573 17.125 1.00 10.32 C ATOM 1139 C TRP A 451 8.312 -2.232 18.503 1.00 10.90 C ATOM 1140 O TRP A 451 7.344 -2.261 19.271 1.00 11.28 O ATOM 1141 CB TRP A 451 8.230 -2.611 15.998 1.00 10.75 C ATOM 1142 CG TRP A 451 6.993 -3.465 15.824 1.00 11.73 C ATOM 1143 CD1 TRP A 451 5.984 -3.276 14.919 1.00 12.35 C ATOM 1144 CD2 TRP A 451 6.667 -4.671 16.536 1.00 13.45 C ATOM 1145 NE1 TRP A 451 5.043 -4.280 15.030 1.00 12.99 N ATOM 1146 CE2 TRP A 451 5.441 -5.149 16.013 1.00 14.35 C ATOM 1147 CE3 TRP A 451 7.293 -5.394 17.563 1.00 14.84 C ATOM 1148 CZ2 TRP A 451 4.826 -6.315 16.488 1.00 15.50 C ATOM 1149 CZ3 TRP A 451 6.679 -6.545 18.034 1.00 16.52 C ATOM 1150 CH2 TRP A 451 5.458 -6.992 17.499 1.00 17.02 C ATOM 1151 HE1 TRP A 451 4.176 -4.363 14.462 1.00 0.00 H ATOM 1152 H TRP A 451 9.959 -0.774 16.150 1.00 0.00 H ATOM 1153 N ASP A 452 9.512 -2.722 18.823 1.00 11.37 N ATOM 1154 CA ASP A 452 9.769 -3.356 20.132 1.00 12.44 C ATOM 1155 C ASP A 452 9.502 -2.385 21.285 1.00 12.56 C ATOM 1156 O ASP A 452 8.884 -2.747 22.287 1.00 12.99 O ATOM 1157 CB ASP A 452 11.213 -3.873 20.221 1.00 13.55 C ATOM 1158 CG ASP A 452 11.474 -5.073 19.332 1.00 15.32 C ATOM 1159 OD1 ASP A 452 10.516 -5.717 18.882 1.00 17.34 O ATOM 1160 OD2 ASP A 452 12.660 -5.382 19.096 1.00 18.89 O ATOM 1161 H ASP A 452 10.286 -2.655 18.132 1.00 0.00 H ATOM 1162 N PHE A 453 9.987 -1.157 21.157 1.00 12.34 N ATOM 1163 CA PHE A 453 9.776 -0.160 22.195 1.00 11.74 C ATOM 1164 C PHE A 453 8.286 0.160 22.346 1.00 11.62 C ATOM 1165 O PHE A 453 7.756 0.157 23.458 1.00 11.70 O ATOM 1166 CB PHE A 453 10.608 1.092 21.898 1.00 12.14 C ATOM 1167 CG PHE A 453 10.615 2.109 23.009 1.00 12.31 C ATOM 1168 CD1 PHE A 453 9.610 3.063 23.094 1.00 11.90 C ATOM 1169 CD2 PHE A 453 11.635 2.120 23.961 1.00 13.73 C ATOM 1170 CE1 PHE A 453 9.613 4.018 24.113 1.00 13.07 C ATOM 1171 CE2 PHE A 453 11.654 3.076 24.972 1.00 14.57 C ATOM 1172 CZ PHE A 453 10.639 4.023 25.053 1.00 14.17 C ATOM 1173 H PHE A 453 10.525 -0.904 20.304 1.00 0.00 H ATOM 1174 N ALA A 454 7.595 0.371 21.229 1.00 11.07 N ATOM 1175 CA ALA A 454 6.184 0.726 21.276 1.00 11.55 C ATOM 1176 C ALA A 454 5.340 -0.391 21.876 1.00 12.29 C ATOM 1177 O ALA A 454 4.392 -0.122 22.606 1.00 13.24 O ATOM 1178 CB ALA A 454 5.677 1.088 19.883 1.00 11.78 C ATOM 1179 H ALA A 454 8.070 0.281 20.308 1.00 0.00 H ATOM 1180 N ARG A 455 5.686 -1.643 21.575 1.00 12.98 N ATOM 1181 CA ARG A 455 4.957 -2.774 22.142 1.00 14.74 C ATOM 1182 C ARG A 455 5.142 -2.855 23.655 1.00 14.58 C ATOM 1183 O ARG A 455 4.186 -3.142 24.386 1.00 15.70 O ATOM 1184 CB ARG A 455 5.374 -4.077 21.460 1.00 15.54 C ATOM 1185 CG ARG A 455 4.708 -4.307 20.099 1.00 20.19 C ATOM 1186 CD ARG A 455 3.180 -4.322 20.198 1.00 26.76 C ATOM 1187 NE ARG A 455 2.536 -4.752 18.957 1.00 31.67 N ATOM 1188 CZ ARG A 455 1.958 -5.938 18.778 1.00 34.37 C ATOM 1189 NH1 ARG A 455 1.929 -6.830 19.764 1.00 35.93 N ATOM 1190 NH2 ARG A 455 1.398 -6.234 17.610 1.00 35.33 N ATOM 1191 HE ARG A 455 2.529 -4.085 18.159 1.00 0.00 H ATOM 1192 HH12 ARG A 455 1.476 -7.754 19.616 1.00 0.00 H ATOM 1193 HH11 ARG A 455 2.360 -6.603 20.683 1.00 0.00 H ATOM 1194 HH22 ARG A 455 0.946 -7.160 17.470 1.00 0.00 H ATOM 1195 HH21 ARG A 455 1.411 -5.539 16.836 1.00 0.00 H ATOM 1196 H ARG A 455 6.483 -1.816 20.930 1.00 0.00 H ATOM 1197 N ALA A 456 6.358 -2.575 24.118 1.00 14.24 N ATOM 1198 CA ALA A 456 6.665 -2.634 25.549 1.00 14.68 C ATOM 1199 C ALA A 456 6.000 -1.504 26.340 1.00 14.79 C ATOM 1200 O ALA A 456 5.575 -1.703 27.480 1.00 15.57 O ATOM 1201 CB ALA A 456 8.173 -2.624 25.771 1.00 14.91 C ATOM 1202 H ALA A 456 7.108 -2.308 23.448 1.00 0.00 H ATOM 1203 N PHE A 457 5.894 -0.331 25.725 1.00 13.89 N ATOM 1204 CA PHE A 457 5.408 0.872 26.394 1.00 14.01 C ATOM 1205 C PHE A 457 3.939 1.170 26.136 1.00 14.18 C ATOM 1206 O PHE A 457 3.341 1.976 26.832 1.00 15.54 O ATOM 1207 CB PHE A 457 6.279 2.072 26.012 1.00 14.03 C ATOM 1208 CG PHE A 457 7.556 2.147 26.790 1.00 14.81 C ATOM 1209 CD1 PHE A 457 8.631 1.313 26.483 1.00 15.40 C ATOM 1210 CD2 PHE A 457 7.674 3.038 27.854 1.00 16.86 C ATOM 1211 CE1 PHE A 457 9.809 1.370 27.224 1.00 15.71 C ATOM 1212 CE2 PHE A 457 8.849 3.103 28.592 1.00 17.34 C ATOM 1213 CZ PHE A 457 9.912 2.269 28.282 1.00 17.86 C ATOM 1214 H PHE A 457 6.169 -0.267 24.724 1.00 0.00 H ATOM 1215 N GLY A 458 3.350 0.529 25.134 1.00 13.57 N ATOM 1216 CA GLY A 458 1.981 0.836 24.754 1.00 13.81 C ATOM 1217 C GLY A 458 1.904 2.156 24.003 1.00 13.98 C ATOM 1218 O GLY A 458 1.106 3.031 24.343 1.00 15.60 O ATOM 1219 H GLY A 458 3.875 -0.203 24.614 1.00 0.00 H ATOM 1220 N LEU A 459 2.761 2.311 22.997 1.00 13.31 N ATOM 1221 CA LEU A 459 2.729 3.481 22.120 1.00 13.18 C ATOM 1222 C LEU A 459 2.054 3.120 20.799 1.00 13.68 C ATOM 1223 O LEU A 459 2.043 1.946 20.423 1.00 13.17 O ATOM 1224 CB LEU A 459 4.149 4.016 21.902 1.00 13.06 C ATOM 1225 CG LEU A 459 4.715 4.795 23.097 1.00 12.41 C ATOM 1226 CD1 LEU A 459 6.215 4.715 23.142 1.00 13.11 C ATOM 1227 CD2 LEU A 459 4.256 6.248 23.068 1.00 13.12 C ATOM 1228 H LEU A 459 3.477 1.576 22.829 1.00 0.00 H ATOM 1229 N PRO A 460 1.464 4.113 20.100 1.00 13.82 N ATOM 1230 CA PRO A 460 0.777 3.830 18.836 1.00 14.04 C ATOM 1231 C PRO A 460 1.699 3.294 17.748 1.00 13.77 C ATOM 1232 O PRO A 460 2.834 3.764 17.593 1.00 13.33 O ATOM 1233 CB PRO A 460 0.223 5.196 18.422 1.00 14.27 C ATOM 1234 CG PRO A 460 0.167 5.980 19.675 1.00 14.67 C ATOM 1235 CD PRO A 460 1.345 5.537 20.464 1.00 14.96 C ATOM 1236 N ILE A 461 1.194 2.303 17.017 1.00 13.61 N ATOM 1237 CA ILE A 461 1.898 1.711 15.881 1.00 13.77 C ATOM 1238 C ILE A 461 1.034 1.917 14.642 1.00 14.02 C ATOM 1239 O ILE A 461 -0.089 1.413 14.566 1.00 15.45 O ATOM 1240 CB ILE A 461 2.213 0.214 16.103 1.00 14.05 C ATOM 1241 CG1 ILE A 461 3.000 0.020 17.408 1.00 14.86 C ATOM 1242 CG2 ILE A 461 2.951 -0.387 14.882 1.00 14.01 C ATOM 1243 CD1 ILE A 461 3.328 -1.424 17.735 1.00 17.71 C ATOM 1244 H ILE A 461 0.255 1.933 17.266 1.00 0.00 H ATOM 1245 N VAL A 462 1.559 2.691 13.695 1.00 13.39 N ATOM 1246 CA VAL A 462 0.805 3.161 12.533 1.00 12.88 C ATOM 1247 C VAL A 462 1.467 2.696 11.246 1.00 11.62 C ATOM 1248 O VAL A 462 2.681 2.823 11.075 1.00 11.45 O ATOM 1249 CB VAL A 462 0.716 4.717 12.542 1.00 13.55 C ATOM 1250 CG1 VAL A 462 0.106 5.261 11.247 1.00 14.77 C ATOM 1251 CG2 VAL A 462 -0.093 5.200 13.751 1.00 14.02 C ATOM 1252 H VAL A 462 2.555 2.976 13.786 1.00 0.00 H ATOM 1253 N GLU A 463 0.667 2.159 10.337 1.00 10.98 N ATOM 1254 CA GLU A 463 1.183 1.740 9.034 1.00 10.53 C ATOM 1255 C GLU A 463 1.162 2.899 8.061 1.00 10.31 C ATOM 1256 O GLU A 463 0.120 3.519 7.851 1.00 10.51 O ATOM 1257 CB GLU A 463 0.344 0.592 8.468 1.00 11.24 C ATOM 1258 CG GLU A 463 0.875 0.035 7.139 1.00 12.46 C ATOM 1259 CD GLU A 463 0.005 -1.061 6.559 1.00 14.94 C ATOM 1260 OE1 GLU A 463 -1.183 -0.784 6.292 1.00 18.22 O ATOM 1261 OE2 GLU A 463 0.504 -2.194 6.371 1.00 17.11 O ATOM 1262 H GLU A 463 -0.343 2.033 10.553 1.00 0.00 H ATOM 1263 N VAL A 464 2.318 3.188 7.476 1.00 8.87 N ATOM 1264 CA VAL A 464 2.384 4.166 6.386 1.00 9.58 C ATOM 1265 C VAL A 464 2.958 3.603 5.090 1.00 9.70 C ATOM 1266 O VAL A 464 2.821 4.223 4.036 1.00 9.68 O ATOM 1267 CB VAL A 464 3.089 5.493 6.785 1.00 9.54 C ATOM 1268 CG1 VAL A 464 2.240 6.270 7.782 1.00 9.94 C ATOM 1269 CG2 VAL A 464 4.491 5.252 7.326 1.00 9.87 C ATOM 1270 H VAL A 464 3.187 2.715 7.795 1.00 0.00 H ATOM 1271 N ILE A 465 3.587 2.429 5.160 1.00 10.01 N ATOM 1272 CA ILE A 465 4.091 1.746 3.961 1.00 10.34 C ATOM 1273 C ILE A 465 3.344 0.424 3.860 1.00 10.66 C ATOM 1274 O ILE A 465 3.567 -0.472 4.681 1.00 11.24 O ATOM 1275 CB ILE A 465 5.612 1.436 4.032 1.00 10.48 C ATOM 1276 CG1 ILE A 465 6.418 2.644 4.537 1.00 11.24 C ATOM 1277 CG2 ILE A 465 6.115 0.902 2.680 1.00 10.78 C ATOM 1278 CD1 ILE A 465 6.322 3.890 3.671 1.00 12.46 C ATOM 1279 H ILE A 465 3.725 1.984 6.090 1.00 0.00 H ATOM 1280 N ALA A 466 2.454 0.301 2.875 1.00 10.87 N ATOM 1281 CA ALA A 466 1.743 -0.950 2.631 1.00 11.16 C ATOM 1282 C ALA A 466 2.721 -1.953 2.035 1.00 11.05 C ATOM 1283 O ALA A 466 3.579 -1.585 1.214 1.00 11.79 O ATOM 1284 CB ALA A 466 0.582 -0.721 1.683 1.00 11.72 C ATOM 1285 H ALA A 466 2.261 1.120 2.263 1.00 0.00 H ATOM 1286 N GLY A 467 2.601 -3.211 2.451 1.00 11.06 N ATOM 1287 CA GLY A 467 3.482 -4.255 1.946 1.00 11.29 C ATOM 1288 C GLY A 467 3.657 -5.397 2.925 1.00 11.77 C ATOM 1289 O GLY A 467 3.860 -6.541 2.513 1.00 12.56 O ATOM 1290 H GLY A 467 1.867 -3.452 3.147 1.00 0.00 H ATOM 1291 N GLY A 468 3.558 -5.102 4.219 1.00 11.83 N ATOM 1292 CA GLY A 468 3.756 -6.112 5.257 1.00 12.87 C ATOM 1293 C GLY A 468 2.550 -6.280 6.151 1.00 13.72 C ATOM 1294 O GLY A 468 1.408 -6.063 5.740 1.00 14.17 O ATOM 1295 H GLY A 468 3.334 -4.126 4.499 1.00 0.00 H ATOM 1296 N ASN A 469 2.815 -6.672 7.391 1.00 14.50 N ATOM 1297 CA ASN A 469 1.769 -6.851 8.380 1.00 15.48 C ATOM 1298 C ASN A 469 2.278 -6.349 9.719 1.00 15.24 C ATOM 1299 O ASN A 469 2.993 -7.061 10.427 1.00 15.12 O ATOM 1300 CB ASN A 469 1.342 -8.319 8.470 1.00 16.69 C ATOM 1301 CG ASN A 469 0.086 -8.504 9.301 1.00 19.24 C ATOM 1302 OD1 ASN A 469 -0.203 -7.716 10.208 1.00 20.01 O ATOM 1303 ND2 ASN A 469 -0.683 -9.539 8.982 1.00 22.31 N ATOM 1304 HD22 ASN A 469 -0.402 -10.178 8.211 1.00 0.00 H ATOM 1305 HD21 ASN A 469 -1.566 -9.711 9.503 1.00 0.00 H ATOM 1306 H ASN A 469 3.802 -6.856 7.662 1.00 0.00 H ATOM 1307 N ILE A 470 1.910 -5.118 10.061 1.00 15.28 N ATOM 1308 CA ILE A 470 2.485 -4.450 11.232 1.00 15.85 C ATOM 1309 C ILE A 470 2.043 -5.057 12.560 1.00 16.04 C ATOM 1310 O ILE A 470 2.644 -4.779 13.594 1.00 15.70 O ATOM 1311 CB ILE A 470 2.241 -2.908 11.240 1.00 15.76 C ATOM 1312 CG1 ILE A 470 0.748 -2.571 11.319 1.00 17.03 C ATOM 1313 CG2 ILE A 470 2.918 -2.250 10.030 1.00 17.03 C ATOM 1314 CD1 ILE A 470 0.455 -1.178 11.849 1.00 19.06 C ATOM 1315 H ILE A 470 1.201 -4.620 9.487 1.00 0.00 H ATOM 1316 N SER A 471 1.004 -5.891 12.521 1.00 16.72 N ATOM 1317 CA SER A 471 0.559 -6.617 13.711 1.00 18.06 C ATOM 1318 C SER A 471 1.542 -7.731 14.089 1.00 18.34 C ATOM 1319 O SER A 471 1.572 -8.164 15.246 1.00 19.13 O ATOM 1320 CB SER A 471 -0.870 -7.157 13.526 1.00 18.36 C ATOM 1321 OG SER A 471 -0.906 -8.290 12.679 1.00 20.77 O ATOM 1322 HG SER A 471 -0.550 -8.046 11.788 1.00 0.00 H ATOM 1323 H SER A 471 0.497 -6.029 11.623 1.00 0.00 H ATOM 1324 N GLU A 472 2.361 -8.176 13.134 1.00 18.91 N ATOM 1325 CA GLU A 472 3.342 -9.224 13.417 1.00 19.72 C ATOM 1326 C GLU A 472 4.774 -8.722 13.606 1.00 18.73 C ATOM 1327 O GLU A 472 5.504 -9.245 14.446 1.00 18.96 O ATOM 1328 CB GLU A 472 3.266 -10.376 12.403 1.00 21.20 C ATOM 1329 CG GLU A 472 3.707 -10.068 10.989 1.00 24.80 C ATOM 1330 CD GLU A 472 3.270 -11.143 10.003 1.00 28.93 C ATOM 1331 OE1 GLU A 472 2.088 -11.554 10.047 1.00 31.07 O ATOM 1332 OE2 GLU A 472 4.107 -11.575 9.182 1.00 31.23 O ATOM 1333 H GLU A 472 2.301 -7.773 12.177 1.00 0.00 H ATOM 1334 N SER A 473 5.168 -7.707 12.838 1.00 17.28 N ATOM 1335 CA SER A 473 6.510 -7.145 12.928 1.00 16.14 C ATOM 1336 C SER A 473 6.541 -5.866 12.124 1.00 14.71 C ATOM 1337 O SER A 473 5.659 -5.625 11.303 1.00 14.58 O ATOM 1338 CB SER A 473 7.552 -8.121 12.366 1.00 16.84 C ATOM 1339 OG SER A 473 7.442 -8.231 10.958 1.00 18.51 O ATOM 1340 HG SER A 473 7.586 -7.342 10.546 1.00 0.00 H ATOM 1341 H SER A 473 4.497 -7.303 12.153 1.00 0.00 H ATOM 1342 N ALA A 474 7.562 -5.048 12.363 1.00 13.48 N ATOM 1343 CA ALA A 474 7.786 -3.869 11.538 1.00 12.33 C ATOM 1344 C ALA A 474 8.014 -4.280 10.089 1.00 12.11 C ATOM 1345 O ALA A 474 8.688 -5.288 9.807 1.00 12.45 O ATOM 1346 CB ALA A 474 8.964 -3.092 12.048 1.00 11.99 C ATOM 1347 H ALA A 474 8.210 -5.253 13.150 1.00 0.00 H ATOM 1348 N TYR A 475 7.422 -3.513 9.176 1.00 11.41 N ATOM 1349 CA TYR A 475 7.640 -3.753 7.757 1.00 11.33 C ATOM 1350 C TYR A 475 8.706 -2.796 7.217 1.00 11.31 C ATOM 1351 O TYR A 475 8.484 -1.582 7.144 1.00 10.84 O ATOM 1352 CB TYR A 475 6.342 -3.678 6.938 1.00 11.55 C ATOM 1353 CG TYR A 475 6.665 -3.882 5.484 1.00 10.57 C ATOM 1354 CD1 TYR A 475 7.206 -5.102 5.049 1.00 10.94 C ATOM 1355 CD2 TYR A 475 6.547 -2.836 4.561 1.00 10.76 C ATOM 1356 CE1 TYR A 475 7.561 -5.293 3.737 1.00 10.11 C ATOM 1357 CE2 TYR A 475 6.905 -3.020 3.232 1.00 10.86 C ATOM 1358 CZ TYR A 475 7.417 -4.252 2.836 1.00 9.90 C ATOM 1359 OH TYR A 475 7.810 -4.480 1.543 1.00 11.17 O ATOM 1360 HH TYR A 475 8.531 -3.846 1.302 1.00 0.00 H ATOM 1361 H TYR A 475 6.799 -2.737 9.479 1.00 0.00 H ATOM 1362 N THR A 476 9.853 -3.348 6.827 1.00 12.22 N ATOM 1363 CA THR A 476 11.033 -2.537 6.537 1.00 13.17 C ATOM 1364 C THR A 476 11.336 -2.360 5.048 1.00 12.80 C ATOM 1365 O THR A 476 12.256 -1.623 4.688 1.00 14.02 O ATOM 1366 CB THR A 476 12.287 -3.129 7.221 1.00 13.63 C ATOM 1367 OG1 THR A 476 12.632 -4.367 6.587 1.00 16.20 O ATOM 1368 CG2 THR A 476 12.024 -3.374 8.706 1.00 15.32 C ATOM 1369 HG1 THR A 476 11.877 -5.001 6.672 1.00 0.00 H ATOM 1370 H THR A 476 9.910 -4.382 6.726 1.00 0.00 H ATOM 1371 N GLY A 477 10.554 -3.006 4.188 1.00 11.99 N ATOM 1372 CA GLY A 477 10.840 -3.004 2.753 1.00 11.79 C ATOM 1373 C GLY A 477 10.155 -1.903 1.965 1.00 11.56 C ATOM 1374 O GLY A 477 9.569 -0.976 2.525 1.00 11.89 O ATOM 1375 H GLY A 477 9.724 -3.522 4.542 1.00 0.00 H ATOM 1376 N ASP A 478 10.236 -2.020 0.644 1.00 11.42 N ATOM 1377 CA ASP A 478 9.598 -1.075 -0.262 1.00 11.96 C ATOM 1378 C ASP A 478 8.087 -1.302 -0.269 1.00 11.27 C ATOM 1379 O ASP A 478 7.598 -2.318 0.214 1.00 11.16 O ATOM 1380 CB ASP A 478 10.178 -1.238 -1.667 1.00 12.90 C ATOM 1381 CG ASP A 478 11.620 -0.772 -1.765 1.00 14.86 C ATOM 1382 OD1 ASP A 478 11.926 0.329 -1.260 1.00 18.67 O ATOM 1383 OD2 ASP A 478 12.453 -1.501 -2.348 1.00 18.22 O ATOM 1384 H ASP A 478 10.774 -2.814 0.243 1.00 0.00 H ATOM 1385 N GLY A 479 7.333 -0.360 -0.813 1.00 10.75 N ATOM 1386 CA GLY A 479 5.899 -0.506 -0.819 1.00 10.91 C ATOM 1387 C GLY A 479 5.231 0.719 -1.366 1.00 11.06 C ATOM 1388 O GLY A 479 5.796 1.419 -2.208 1.00 11.84 O ATOM 1389 H GLY A 479 7.774 0.482 -1.235 1.00 0.00 H ATOM 1390 N ILE A 480 4.022 0.967 -0.884 1.00 10.69 N ATOM 1391 CA ILE A 480 3.185 2.042 -1.368 1.00 10.53 C ATOM 1392 C ILE A 480 2.667 2.818 -0.158 1.00 9.92 C ATOM 1393 O ILE A 480 2.198 2.241 0.823 1.00 10.24 O ATOM 1394 CB ILE A 480 2.043 1.488 -2.245 1.00 10.62 C ATOM 1395 CG1 ILE A 480 2.610 0.908 -3.553 1.00 12.81 C ATOM 1396 CG2 ILE A 480 1.011 2.555 -2.552 1.00 11.44 C ATOM 1397 CD1 ILE A 480 3.191 1.946 -4.538 1.00 14.48 C ATOM 1398 H ILE A 480 3.658 0.360 -0.122 1.00 0.00 H ATOM 1399 N LEU A 481 2.761 4.138 -0.232 1.00 9.37 N ATOM 1400 CA LEU A 481 2.399 4.992 0.895 1.00 9.31 C ATOM 1401 C LEU A 481 0.901 4.990 1.157 1.00 9.45 C ATOM 1402 O LEU A 481 0.089 5.124 0.232 1.00 9.84 O ATOM 1403 CB LEU A 481 2.900 6.423 0.663 1.00 9.47 C ATOM 1404 CG LEU A 481 4.325 6.774 1.105 1.00 9.04 C ATOM 1405 CD1 LEU A 481 4.373 6.984 2.608 1.00 10.54 C ATOM 1406 CD2 LEU A 481 5.347 5.710 0.660 1.00 10.37 C ATOM 1407 H LEU A 481 3.100 4.575 -1.113 1.00 0.00 H ATOM 1408 N VAL A 482 0.562 4.841 2.433 1.00 9.32 N ATOM 1409 CA VAL A 482 -0.807 4.895 2.917 1.00 9.35 C ATOM 1410 C VAL A 482 -0.844 5.772 4.172 1.00 9.26 C ATOM 1411 O VAL A 482 0.182 5.969 4.822 1.00 9.36 O ATOM 1412 CB VAL A 482 -1.365 3.481 3.236 1.00 9.30 C ATOM 1413 CG1 VAL A 482 -1.491 2.657 1.965 1.00 10.10 C ATOM 1414 CG2 VAL A 482 -0.506 2.752 4.272 1.00 10.09 C ATOM 1415 H VAL A 482 1.320 4.676 3.125 1.00 0.00 H ATOM 1416 N ASN A 483 -2.021 6.310 4.493 1.00 9.61 N ATOM 1417 CA ASN A 483 -2.210 7.122 5.705 1.00 10.09 C ATOM 1418 C ASN A 483 -1.237 8.306 5.793 1.00 10.05 C ATOM 1419 O ASN A 483 -0.840 8.720 6.883 1.00 10.44 O ATOM 1420 CB ASN A 483 -2.128 6.241 6.971 1.00 10.40 C ATOM 1421 CG ASN A 483 -3.057 5.024 6.909 1.00 11.88 C ATOM 1422 OD1 ASN A 483 -2.652 3.894 7.210 1.00 15.20 O ATOM 1423 ND2 ASN A 483 -4.299 5.252 6.517 1.00 13.30 N ATOM 1424 HD22 ASN A 483 -4.598 6.218 6.273 1.00 0.00 H ATOM 1425 HD21 ASN A 483 -4.977 4.466 6.453 1.00 0.00 H ATOM 1426 H ASN A 483 -2.834 6.150 3.864 1.00 0.00 H ATOM 1427 N SER A 484 -0.886 8.854 4.628 1.00 9.59 N ATOM 1428 CA SER A 484 0.187 9.836 4.513 1.00 9.42 C ATOM 1429 C SER A 484 -0.179 10.985 3.580 1.00 9.78 C ATOM 1430 O SER A 484 0.698 11.560 2.943 1.00 10.07 O ATOM 1431 CB SER A 484 1.484 9.164 4.047 1.00 9.77 C ATOM 1432 OG SER A 484 1.937 8.193 4.988 1.00 9.13 O ATOM 1433 HG SER A 484 1.244 7.495 5.099 1.00 0.00 H ATOM 1434 H SER A 484 -1.397 8.570 3.768 1.00 0.00 H ATOM 1435 N ASP A 485 -1.470 11.316 3.515 1.00 10.28 N ATOM 1436 CA ASP A 485 -1.943 12.527 2.821 1.00 11.73 C ATOM 1437 C ASP A 485 -1.354 12.649 1.407 1.00 11.24 C ATOM 1438 O ASP A 485 -1.614 11.797 0.556 1.00 11.18 O ATOM 1439 CB ASP A 485 -1.683 13.781 3.685 1.00 12.83 C ATOM 1440 CG ASP A 485 -2.447 15.017 3.203 1.00 16.85 C ATOM 1441 OD1 ASP A 485 -3.334 14.907 2.330 1.00 21.38 O ATOM 1442 OD2 ASP A 485 -2.152 16.117 3.720 1.00 21.63 O ATOM 1443 H ASP A 485 -2.169 10.696 3.971 1.00 0.00 H ATOM 1444 N TYR A 486 -0.562 13.693 1.157 1.00 11.21 N ATOM 1445 CA TYR A 486 -0.043 13.982 -0.195 1.00 11.58 C ATOM 1446 C TYR A 486 1.035 12.998 -0.681 1.00 11.45 C ATOM 1447 O TYR A 486 1.483 13.088 -1.829 1.00 12.04 O ATOM 1448 CB TYR A 486 0.461 15.430 -0.296 1.00 12.82 C ATOM 1449 CG TYR A 486 1.326 15.815 0.892 1.00 12.07 C ATOM 1450 CD1 TYR A 486 2.671 15.443 0.946 1.00 12.58 C ATOM 1451 CD2 TYR A 486 0.801 16.540 1.966 1.00 11.79 C ATOM 1452 CE1 TYR A 486 3.468 15.786 2.029 1.00 13.11 C ATOM 1453 CE2 TYR A 486 1.595 16.888 3.053 1.00 13.68 C ATOM 1454 CZ TYR A 486 2.924 16.509 3.074 1.00 13.47 C ATOM 1455 OH TYR A 486 3.719 16.844 4.141 1.00 15.85 O ATOM 1456 HH TYR A 486 3.750 17.829 4.231 1.00 0.00 H ATOM 1457 H TYR A 486 -0.301 14.325 1.941 1.00 0.00 H ATOM 1458 N LEU A 487 1.442 12.060 0.177 1.00 10.58 N ATOM 1459 CA LEU A 487 2.350 10.998 -0.255 1.00 10.09 C ATOM 1460 C LEU A 487 1.604 9.750 -0.732 1.00 9.88 C ATOM 1461 O LEU A 487 2.213 8.871 -1.326 1.00 10.29 O ATOM 1462 CB LEU A 487 3.302 10.604 0.882 1.00 9.89 C ATOM 1463 CG LEU A 487 4.152 11.687 1.543 1.00 9.71 C ATOM 1464 CD1 LEU A 487 5.013 11.082 2.657 1.00 11.07 C ATOM 1465 CD2 LEU A 487 5.010 12.429 0.531 1.00 11.47 C ATOM 1466 H LEU A 487 1.110 12.085 1.162 1.00 0.00 H ATOM 1467 N ASN A 488 0.302 9.663 -0.461 1.00 10.13 N ATOM 1468 CA ASN A 488 -0.436 8.412 -0.685 1.00 10.24 C ATOM 1469 C ASN A 488 -0.312 7.920 -2.117 1.00 10.18 C ATOM 1470 O ASN A 488 -0.465 8.699 -3.072 1.00 10.50 O ATOM 1471 CB ASN A 488 -1.921 8.565 -0.342 1.00 10.48 C ATOM 1472 CG ASN A 488 -2.202 8.597 1.154 1.00 10.71 C ATOM 1473 OD1 ASN A 488 -3.317 8.951 1.583 1.00 13.08 O ATOM 1474 ND2 ASN A 488 -1.223 8.212 1.947 1.00 9.22 N ATOM 1475 HD22 ASN A 488 -0.309 7.925 1.543 1.00 0.00 H ATOM 1476 HD21 ASN A 488 -1.364 8.195 2.977 1.00 0.00 H ATOM 1477 H ASN A 488 -0.199 10.493 -0.085 1.00 0.00 H ATOM 1478 N GLY A 489 -0.040 6.627 -2.265 1.00 9.91 N ATOM 1479 CA GLY A 489 0.060 6.014 -3.581 1.00 10.18 C ATOM 1480 C GLY A 489 1.467 5.990 -4.141 1.00 9.85 C ATOM 1481 O GLY A 489 1.735 5.267 -5.103 1.00 10.84 O ATOM 1482 H GLY A 489 0.105 6.039 -1.419 1.00 0.00 H ATOM 1483 N MET A 490 2.368 6.776 -3.558 1.00 10.29 N ATOM 1484 CA MET A 490 3.764 6.802 -3.996 1.00 10.32 C ATOM 1485 C MET A 490 4.546 5.573 -3.551 1.00 10.08 C ATOM 1486 O MET A 490 4.239 4.974 -2.520 1.00 9.77 O ATOM 1487 CB MET A 490 4.475 8.057 -3.470 1.00 10.66 C ATOM 1488 CG MET A 490 3.938 9.358 -4.042 1.00 11.71 C ATOM 1489 SD MET A 490 4.932 10.736 -3.461 1.00 12.82 S ATOM 1490 CE MET A 490 3.982 12.113 -4.103 1.00 14.41 C ATOM 1491 H MET A 490 2.073 7.388 -2.771 1.00 0.00 H ATOM 1492 N SER A 491 5.573 5.223 -4.326 1.00 10.45 N ATOM 1493 CA SER A 491 6.598 4.274 -3.899 1.00 10.62 C ATOM 1494 C SER A 491 7.448 4.913 -2.797 1.00 10.83 C ATOM 1495 O SER A 491 7.416 6.135 -2.615 1.00 10.94 O ATOM 1496 CB SER A 491 7.503 3.940 -5.083 1.00 11.07 C ATOM 1497 OG SER A 491 8.325 5.058 -5.399 1.00 13.20 O ATOM 1498 HG SER A 491 8.907 4.831 -6.167 1.00 0.00 H ATOM 1499 H SER A 491 5.647 5.643 -5.274 1.00 0.00 H ATOM 1500 N VAL A 492 8.228 4.107 -2.079 1.00 11.10 N ATOM 1501 CA VAL A 492 9.144 4.650 -1.073 1.00 11.52 C ATOM 1502 C VAL A 492 10.145 5.669 -1.670 1.00 11.85 C ATOM 1503 O VAL A 492 10.280 6.769 -1.124 1.00 11.82 O ATOM 1504 CB VAL A 492 9.821 3.530 -0.226 1.00 11.75 C ATOM 1505 CG1 VAL A 492 11.000 4.068 0.570 1.00 11.57 C ATOM 1506 CG2 VAL A 492 8.804 2.893 0.709 1.00 11.80 C ATOM 1507 H VAL A 492 8.186 3.080 -2.234 1.00 0.00 H ATOM 1508 N PRO A 493 10.812 5.344 -2.807 1.00 12.25 N ATOM 1509 CA PRO A 493 11.763 6.329 -3.344 1.00 12.71 C ATOM 1510 C PRO A 493 11.090 7.644 -3.742 1.00 12.28 C ATOM 1511 O PRO A 493 11.641 8.716 -3.487 1.00 12.64 O ATOM 1512 CB PRO A 493 12.361 5.615 -4.570 1.00 13.04 C ATOM 1513 CG PRO A 493 12.228 4.162 -4.259 1.00 13.87 C ATOM 1514 CD PRO A 493 10.936 4.042 -3.499 1.00 12.80 C ATOM 1515 N ALA A 494 9.895 7.572 -4.326 1.00 11.70 N ATOM 1516 CA ALA A 494 9.174 8.788 -4.707 1.00 11.72 C ATOM 1517 C ALA A 494 8.750 9.594 -3.473 1.00 11.39 C ATOM 1518 O ALA A 494 8.889 10.819 -3.447 1.00 11.93 O ATOM 1519 CB ALA A 494 7.975 8.452 -5.574 1.00 12.04 C ATOM 1520 H ALA A 494 9.469 6.642 -4.513 1.00 0.00 H ATOM 1521 N ALA A 495 8.271 8.899 -2.440 1.00 10.83 N ATOM 1522 CA ALA A 495 7.830 9.546 -1.212 1.00 10.97 C ATOM 1523 C ALA A 495 8.990 10.212 -0.486 1.00 10.59 C ATOM 1524 O ALA A 495 8.821 11.282 0.087 1.00 11.06 O ATOM 1525 CB ALA A 495 7.139 8.542 -0.312 1.00 10.21 C ATOM 1526 H ALA A 495 8.211 7.863 -2.514 1.00 0.00 H ATOM 1527 N LYS A 496 10.173 9.593 -0.509 1.00 10.77 N ATOM 1528 CA LYS A 496 11.360 10.211 0.091 1.00 11.78 C ATOM 1529 C LYS A 496 11.644 11.574 -0.564 1.00 11.99 C ATOM 1530 O LYS A 496 11.886 12.578 0.126 1.00 12.52 O ATOM 1531 CB LYS A 496 12.583 9.291 -0.049 1.00 11.89 C ATOM 1532 CG LYS A 496 12.624 8.117 0.917 1.00 11.97 C ATOM 1533 CD LYS A 496 13.846 7.251 0.658 1.00 14.35 C ATOM 1534 CE LYS A 496 13.996 6.151 1.696 1.00 14.42 C ATOM 1535 NZ LYS A 496 15.105 5.226 1.313 1.00 17.46 N ATOM 1536 HZ1 LYS A 496 14.893 4.796 0.390 1.00 0.00 H ATOM 1537 HZ2 LYS A 496 15.995 5.760 1.252 1.00 0.00 H ATOM 1538 HZ3 LYS A 496 15.196 4.480 2.031 1.00 0.00 H ATOM 1539 H LYS A 496 10.254 8.659 -0.959 1.00 0.00 H ATOM 1540 N ARG A 497 11.606 11.610 -1.895 1.00 12.16 N ATOM 1541 CA ARG A 497 11.858 12.853 -2.610 1.00 12.36 C ATOM 1542 C ARG A 497 10.778 13.901 -2.298 1.00 12.15 C ATOM 1543 O ARG A 497 11.097 15.067 -2.047 1.00 12.02 O ATOM 1544 CB ARG A 497 11.986 12.597 -4.116 1.00 12.72 C ATOM 1545 CG ARG A 497 13.283 11.900 -4.540 1.00 13.90 C ATOM 1546 CD ARG A 497 13.383 11.754 -6.060 1.00 15.47 C ATOM 1547 NE ARG A 497 12.346 10.891 -6.632 1.00 15.77 N ATOM 1548 CZ ARG A 497 12.483 9.581 -6.829 1.00 17.17 C ATOM 1549 NH1 ARG A 497 13.613 8.970 -6.497 1.00 18.27 N ATOM 1550 NH2 ARG A 497 11.487 8.881 -7.357 1.00 17.92 N ATOM 1551 HE ARG A 497 11.443 11.331 -6.902 1.00 0.00 H ATOM 1552 HH12 ARG A 497 13.716 7.947 -6.652 1.00 0.00 H ATOM 1553 HH11 ARG A 497 14.396 9.514 -6.081 1.00 0.00 H ATOM 1554 HH22 ARG A 497 11.595 7.858 -7.511 1.00 0.00 H ATOM 1555 HH21 ARG A 497 10.599 9.355 -7.617 1.00 0.00 H ATOM 1556 H ARG A 497 11.394 10.743 -2.428 1.00 0.00 H ATOM 1557 N ALA A 498 9.512 13.490 -2.289 1.00 11.65 N ATOM 1558 CA ALA A 498 8.398 14.403 -2.059 1.00 11.00 C ATOM 1559 C ALA A 498 8.440 15.013 -0.658 1.00 10.49 C ATOM 1560 O ALA A 498 8.255 16.222 -0.478 1.00 10.98 O ATOM 1561 CB ALA A 498 7.061 13.704 -2.299 1.00 11.34 C ATOM 1562 H ALA A 498 9.310 12.483 -2.452 1.00 0.00 H ATOM 1563 N ILE A 499 8.693 14.189 0.357 1.00 10.39 N ATOM 1564 CA ILE A 499 8.688 14.695 1.726 1.00 11.14 C ATOM 1565 C ILE A 499 9.881 15.609 2.010 1.00 11.06 C ATOM 1566 O ILE A 499 9.747 16.592 2.737 1.00 11.45 O ATOM 1567 CB ILE A 499 8.552 13.545 2.774 1.00 11.70 C ATOM 1568 CG1 ILE A 499 8.111 14.094 4.136 1.00 13.63 C ATOM 1569 CG2 ILE A 499 9.815 12.724 2.859 1.00 11.31 C ATOM 1570 CD1 ILE A 499 6.733 14.694 4.153 1.00 14.12 C ATOM 1571 H ILE A 499 8.894 13.185 0.174 1.00 0.00 H ATOM 1572 N VAL A 500 11.037 15.308 1.426 1.00 11.92 N ATOM 1573 CA VAL A 500 12.186 16.205 1.557 1.00 13.44 C ATOM 1574 C VAL A 500 11.893 17.548 0.896 1.00 13.11 C ATOM 1575 O VAL A 500 12.223 18.607 1.451 1.00 13.26 O ATOM 1576 CB VAL A 500 13.478 15.557 1.031 1.00 14.03 C ATOM 1577 CG1 VAL A 500 14.596 16.583 0.915 1.00 16.46 C ATOM 1578 CG2 VAL A 500 13.893 14.427 1.968 1.00 15.91 C ATOM 1579 H VAL A 500 11.125 14.431 0.874 1.00 0.00 H ATOM 1580 N ASP A 501 11.262 17.501 -0.277 1.00 13.01 N ATOM 1581 CA ASP A 501 10.816 18.715 -0.960 1.00 14.03 C ATOM 1582 C ASP A 501 9.922 19.540 -0.031 1.00 13.46 C ATOM 1583 O ASP A 501 10.113 20.750 0.118 1.00 13.58 O ATOM 1584 CB ASP A 501 10.083 18.352 -2.263 1.00 15.09 C ATOM 1585 CG ASP A 501 9.693 19.577 -3.096 1.00 18.28 C ATOM 1586 OD1 ASP A 501 9.036 20.506 -2.580 1.00 24.32 O ATOM 1587 OD2 ASP A 501 10.004 19.575 -4.308 1.00 24.51 O ATOM 1588 H ASP A 501 11.082 16.577 -0.718 1.00 0.00 H ATOM 1589 N ARG A 502 8.960 18.881 0.611 1.00 13.06 N ATOM 1590 CA ARG A 502 8.034 19.557 1.516 1.00 13.27 C ATOM 1591 C ARG A 502 8.769 20.157 2.716 1.00 12.80 C ATOM 1592 O ARG A 502 8.533 21.318 3.086 1.00 13.03 O ATOM 1593 CB ARG A 502 6.937 18.589 1.968 1.00 13.24 C ATOM 1594 CG ARG A 502 5.816 19.226 2.782 1.00 15.68 C ATOM 1595 CD ARG A 502 5.091 20.298 1.992 1.00 20.56 C ATOM 1596 NE ARG A 502 5.723 21.604 2.146 1.00 24.35 N ATOM 1597 CZ ARG A 502 5.228 22.591 2.886 1.00 25.96 C ATOM 1598 NH1 ARG A 502 4.085 22.431 3.538 1.00 27.03 N ATOM 1599 NH2 ARG A 502 5.872 23.746 2.965 1.00 27.10 N ATOM 1600 HE ARG A 502 6.618 21.774 1.645 1.00 0.00 H ATOM 1601 HH12 ARG A 502 3.703 23.207 4.115 1.00 0.00 H ATOM 1602 HH11 ARG A 502 3.571 21.530 3.472 1.00 0.00 H ATOM 1603 HH22 ARG A 502 5.485 24.519 3.544 1.00 0.00 H ATOM 1604 HH21 ARG A 502 6.764 23.880 2.448 1.00 0.00 H ATOM 1605 H ARG A 502 8.865 17.856 0.464 1.00 0.00 H ATOM 1606 N LEU A 503 9.659 19.367 3.323 1.00 12.66 N ATOM 1607 CA LEU A 503 10.465 19.853 4.446 1.00 12.72 C ATOM 1608 C LEU A 503 11.289 21.077 4.067 1.00 12.76 C ATOM 1609 O LEU A 503 11.341 22.052 4.819 1.00 12.49 O ATOM 1610 CB LEU A 503 11.386 18.751 4.969 1.00 13.14 C ATOM 1611 CG LEU A 503 10.703 17.636 5.764 1.00 13.62 C ATOM 1612 CD1 LEU A 503 11.650 16.457 5.919 1.00 15.47 C ATOM 1613 CD2 LEU A 503 10.240 18.123 7.133 1.00 15.20 C ATOM 1614 H LEU A 503 9.782 18.389 2.992 1.00 0.00 H ATOM 1615 N GLU A 504 11.912 21.031 2.896 1.00 12.98 N ATOM 1616 CA GLU A 504 12.696 22.164 2.420 1.00 14.15 C ATOM 1617 C GLU A 504 11.826 23.380 2.165 1.00 14.70 C ATOM 1618 O GLU A 504 12.204 24.490 2.533 1.00 14.89 O ATOM 1619 CB GLU A 504 13.448 21.795 1.151 1.00 14.60 C ATOM 1620 CG GLU A 504 14.712 21.019 1.389 1.00 16.69 C ATOM 1621 CD GLU A 504 15.747 21.275 0.307 1.00 17.35 C ATOM 1622 OE1 GLU A 504 15.371 21.317 -0.891 1.00 19.78 O ATOM 1623 OE2 GLU A 504 16.932 21.436 0.655 1.00 15.08 O ATOM 1624 H GLU A 504 11.840 20.175 2.310 1.00 0.00 H ATOM 1625 N SER A 505 10.661 23.189 1.554 1.00 14.88 N ATOM 1626 CA SER A 505 9.789 24.332 1.274 1.00 16.32 C ATOM 1627 C SER A 505 9.305 25.010 2.560 1.00 15.83 C ATOM 1628 O SER A 505 9.088 26.225 2.587 1.00 16.68 O ATOM 1629 CB SER A 505 8.612 23.942 0.376 1.00 16.94 C ATOM 1630 OG SER A 505 7.692 23.106 1.035 1.00 21.13 O ATOM 1631 HG SER A 505 8.149 22.275 1.321 1.00 0.00 H ATOM 1632 H SER A 505 10.369 22.230 1.275 1.00 0.00 H ATOM 1633 N ALA A 506 9.157 24.223 3.621 1.00 15.01 N ATOM 1634 CA ALA A 506 8.722 24.715 4.924 1.00 14.88 C ATOM 1635 C ALA A 506 9.887 25.220 5.777 1.00 14.49 C ATOM 1636 O ALA A 506 9.672 25.829 6.827 1.00 15.37 O ATOM 1637 CB ALA A 506 7.980 23.612 5.669 1.00 15.10 C ATOM 1638 H ALA A 506 9.361 23.208 3.517 1.00 0.00 H ATOM 1639 N GLY A 507 11.113 24.939 5.340 1.00 13.85 N ATOM 1640 CA GLY A 507 12.316 25.316 6.083 1.00 13.71 C ATOM 1641 C GLY A 507 12.595 24.447 7.301 1.00 13.67 C ATOM 1642 O GLY A 507 13.316 24.871 8.210 1.00 14.15 O ATOM 1643 H GLY A 507 11.219 24.433 4.438 1.00 0.00 H ATOM 1644 N ARG A 508 12.066 23.220 7.305 1.00 13.20 N ATOM 1645 CA ARG A 508 12.091 22.375 8.494 1.00 13.03 C ATOM 1646 C ARG A 508 12.934 21.110 8.328 1.00 12.45 C ATOM 1647 O ARG A 508 12.935 20.238 9.203 1.00 12.88 O ATOM 1648 CB ARG A 508 10.658 22.007 8.915 1.00 13.21 C ATOM 1649 CG ARG A 508 9.720 23.201 9.161 1.00 14.26 C ATOM 1650 CD ARG A 508 10.242 24.158 10.219 1.00 15.15 C ATOM 1651 NE ARG A 508 10.167 23.560 11.545 1.00 15.49 N ATOM 1652 CZ ARG A 508 10.604 24.138 12.659 1.00 15.99 C ATOM 1653 NH1 ARG A 508 11.164 25.341 12.619 1.00 18.30 N ATOM 1654 NH2 ARG A 508 10.479 23.505 13.816 1.00 17.65 N ATOM 1655 HE ARG A 508 9.742 22.614 11.626 1.00 0.00 H ATOM 1656 HH12 ARG A 508 11.503 25.786 13.496 1.00 0.00 H ATOM 1657 HH11 ARG A 508 11.263 25.838 11.711 1.00 0.00 H ATOM 1658 HH22 ARG A 508 10.819 23.951 14.692 1.00 0.00 H ATOM 1659 HH21 ARG A 508 10.041 22.562 13.848 1.00 0.00 H ATOM 1660 H ARG A 508 11.624 22.857 6.436 1.00 0.00 H ATOM 1661 N GLY A 509 13.644 20.979 7.213 1.00 12.04 N ATOM 1662 CA GLY A 509 14.510 19.823 7.041 1.00 11.73 C ATOM 1663 C GLY A 509 15.361 19.911 5.794 1.00 11.36 C ATOM 1664 O GLY A 509 15.208 20.835 4.983 1.00 11.56 O ATOM 1665 H GLY A 509 13.581 21.700 6.466 1.00 0.00 H ATOM 1666 N ARG A 510 16.262 18.943 5.654 1.00 11.15 N ATOM 1667 CA ARG A 510 17.210 18.874 4.546 1.00 11.85 C ATOM 1668 C ARG A 510 17.512 17.417 4.242 1.00 12.18 C ATOM 1669 O ARG A 510 17.492 16.571 5.146 1.00 12.32 O ATOM 1670 CB ARG A 510 18.541 19.542 4.926 1.00 12.14 C ATOM 1671 CG ARG A 510 18.518 21.036 5.183 1.00 12.73 C ATOM 1672 CD ARG A 510 18.299 21.802 3.904 1.00 13.52 C ATOM 1673 NE ARG A 510 18.463 23.232 4.117 1.00 13.84 N ATOM 1674 CZ ARG A 510 18.089 24.166 3.256 1.00 14.31 C ATOM 1675 NH1 ARG A 510 17.524 23.836 2.097 1.00 15.21 N ATOM 1676 NH2 ARG A 510 18.291 25.438 3.560 1.00 15.36 N ATOM 1677 HE ARG A 510 18.904 23.542 5.006 1.00 0.00 H ATOM 1678 HH12 ARG A 510 17.235 24.579 1.429 1.00 0.00 H ATOM 1679 HH11 ARG A 510 17.372 22.835 1.859 1.00 0.00 H ATOM 1680 HH22 ARG A 510 18.003 26.184 2.895 1.00 0.00 H ATOM 1681 HH21 ARG A 510 18.738 25.692 4.464 1.00 0.00 H ATOM 1682 H ARG A 510 16.293 18.193 6.374 1.00 0.00 H ATOM 1683 N ALA A 511 17.813 17.127 2.981 1.00 12.91 N ATOM 1684 CA ALA A 511 18.448 15.861 2.616 1.00 13.56 C ATOM 1685 C ALA A 511 19.885 15.871 3.128 1.00 14.31 C ATOM 1686 O ALA A 511 20.562 16.906 3.071 1.00 13.60 O ATOM 1687 CB ALA A 511 18.446 15.678 1.102 1.00 13.93 C ATOM 1688 H ALA A 511 17.592 17.817 2.235 1.00 0.00 H ATOM 1689 N ARG A 512 20.359 14.739 3.650 1.00 15.02 N ATOM 1690 CA ARG A 512 21.754 14.619 4.109 1.00 16.41 C ATOM 1691 C ARG A 512 22.325 13.225 3.820 1.00 17.65 C ATOM 1692 O ARG A 512 21.605 12.232 3.964 1.00 18.29 O ATOM 1693 CB ARG A 512 21.882 14.947 5.612 1.00 16.24 C ATOM 1694 CG ARG A 512 21.650 16.412 6.021 1.00 15.69 C ATOM 1695 CD ARG A 512 22.746 17.334 5.485 1.00 14.51 C ATOM 1696 NE ARG A 512 22.596 18.731 5.900 1.00 13.47 N ATOM 1697 CZ ARG A 512 22.236 19.730 5.096 1.00 11.48 C ATOM 1698 NH1 ARG A 512 21.952 19.502 3.816 1.00 8.44 N ATOM 1699 NH2 ARG A 512 22.151 20.965 5.577 1.00 14.34 N ATOM 1700 HE ARG A 512 22.785 18.960 6.897 1.00 0.00 H ATOM 1701 HH12 ARG A 512 21.672 20.290 3.197 1.00 0.00 H ATOM 1702 HH11 ARG A 512 22.010 18.536 3.434 1.00 0.00 H ATOM 1703 HH22 ARG A 512 21.870 21.748 4.953 1.00 0.00 H ATOM 1704 HH21 ARG A 512 22.365 21.149 6.578 1.00 0.00 H ATOM 1705 H ARG A 512 19.726 13.918 3.735 1.00 0.00 H ATOM 1706 N ILE A 513 23.604 13.168 3.424 1.00 18.55 N ATOM 1707 CA ILE A 513 24.312 11.912 3.093 1.00 20.72 C ATOM 1708 C ILE A 513 24.323 10.977 4.303 1.00 21.83 C ATOM 1709 O ILE A 513 24.667 11.402 5.410 1.00 22.74 O ATOM 1710 CB ILE A 513 25.789 12.158 2.671 1.00 21.18 C ATOM 1711 CG1 ILE A 513 25.886 12.995 1.396 1.00 22.21 C ATOM 1712 CG2 ILE A 513 26.535 10.825 2.501 1.00 22.05 C ATOM 1713 CD1 ILE A 513 27.216 13.739 1.263 1.00 23.78 C ATOM 1714 OXT ILE A 513 24.000 9.787 4.204 1.00 22.85 O ATOM 1715 H ILE A 513 24.131 14.061 3.345 1.00 0.00 H TER 1716 ILE A 513 HETATM 1717 O HOH 1 26.917 3.921 5.654 1.00 39.82 O HETATM 1718 O HOH 2 8.966 21.249 12.601 1.00 15.20 O HETATM 1719 O HOH 3 7.003 20.466 14.315 1.00 14.87 O HETATM 1720 O HOH 4 6.705 20.555 24.808 1.00 25.53 O HETATM 1721 O HOH 5 1.910 20.249 25.957 1.00 59.03 O HETATM 1722 O HOH 6 -1.470 14.779 23.845 1.00 48.56 O HETATM 1723 O HOH 7 6.845 27.363 26.553 1.00 52.38 O HETATM 1724 O HOH 8 12.800 27.175 14.118 1.00 36.28 O HETATM 1725 O HOH 9 22.173 19.372 11.176 1.00 55.31 O HETATM 1726 O HOH 10 21.111 19.323 16.476 1.00 93.68 O HETATM 1727 O HOH 11 23.042 19.821 14.200 1.00 78.96 O HETATM 1728 O HOH 12 14.853 9.027 13.077 1.00 9.97 O HETATM 1729 O HOH 13 16.473 3.580 3.299 1.00 30.21 O HETATM 1730 O HOH 14 16.729 2.841 6.103 1.00 21.36 O HETATM 1731 O HOH 15 9.310 0.123 5.003 1.00 11.85 O HETATM 1732 O HOH 16 14.513 0.884 6.029 1.00 22.55 O HETATM 1733 O HOH 17 4.596 8.762 6.000 1.00 9.96 O HETATM 1734 O HOH 18 -0.627 8.514 9.579 1.00 14.75 O HETATM 1735 O HOH 19 0.987 8.868 13.105 1.00 17.46 O HETATM 1736 O HOH 20 4.341 3.701 13.018 1.00 9.99 O HETATM 1737 O HOH 21 1.998 11.015 14.580 1.00 16.86 O HETATM 1738 O HOH 22 1.397 9.328 19.362 1.00 27.81 O HETATM 1739 O HOH 23 25.362 14.379 24.767 1.00 42.31 O HETATM 1740 O HOH 24 23.586 17.045 28.387 1.00 48.96 O HETATM 1741 O HOH 25 24.219 7.679 24.593 1.00 21.98 O HETATM 1742 O HOH 26 22.961 8.945 30.908 1.00 20.49 O HETATM 1743 O HOH 27 22.790 5.910 27.491 1.00 24.16 O HETATM 1744 O HOH 28 26.406 7.798 29.433 1.00 33.95 O HETATM 1745 O HOH 29 19.799 17.228 29.363 1.00 16.33 O HETATM 1746 O HOH 30 21.571 18.995 20.692 1.00 60.82 O HETATM 1747 O HOH 31 23.133 16.763 22.770 1.00 33.06 O HETATM 1748 O HOH 32 18.432 21.016 28.647 1.00 38.42 O HETATM 1749 O HOH 33 15.422 19.361 34.427 1.00 39.91 O HETATM 1750 O HOH 34 12.560 21.335 32.600 1.00 35.71 O HETATM 1751 O HOH 35 16.075 16.658 34.202 1.00 23.27 O HETATM 1752 O HOH 36 20.073 17.258 35.339 1.00 40.75 O HETATM 1753 O HOH 37 20.590 21.193 32.911 1.00 45.81 O HETATM 1754 O HOH 38 10.528 20.644 35.189 1.00 62.87 O HETATM 1755 O HOH 39 9.933 17.143 37.038 1.00 21.10 O HETATM 1756 O HOH 40 3.788 19.803 34.167 1.00 36.09 O HETATM 1757 O HOH 41 6.133 21.741 33.141 1.00 36.96 O HETATM 1758 O HOH 42 8.990 18.944 39.550 1.00 42.62 O HETATM 1759 O HOH 43 2.299 18.359 32.487 1.00 43.62 O HETATM 1760 O HOH 44 3.738 16.564 40.720 1.00 33.84 O HETATM 1761 O HOH 45 4.205 14.455 38.841 1.00 19.39 O HETATM 1762 O HOH 46 -2.452 15.844 37.505 1.00 23.83 O HETATM 1763 O HOH 47 -0.579 11.571 36.655 1.00 31.51 O HETATM 1764 O HOH 48 -2.883 16.473 32.583 1.00 33.94 O HETATM 1765 O HOH 49 -2.504 11.041 29.959 1.00 51.09 O HETATM 1766 O HOH 50 0.516 7.725 28.921 1.00 18.90 O HETATM 1767 O HOH 51 0.574 0.150 32.534 1.00 37.54 O HETATM 1768 O HOH 52 0.378 -0.292 28.005 1.00 42.53 O HETATM 1769 O HOH 53 -0.130 3.640 26.675 1.00 22.87 O HETATM 1770 O HOH 54 -2.446 3.890 30.267 1.00 54.35 O HETATM 1771 O HOH 55 5.557 3.437 37.408 1.00 32.13 O HETATM 1772 O HOH 56 8.707 0.031 31.010 1.00 40.88 O HETATM 1773 O HOH 57 9.619 3.788 32.396 1.00 15.77 O HETATM 1774 O HOH 58 5.320 6.941 38.763 1.00 31.74 O HETATM 1775 O HOH 59 12.303 6.380 39.509 1.00 14.40 O HETATM 1776 O HOH 60 15.485 -0.403 33.841 1.00 15.01 O HETATM 1777 O HOH 61 7.955 4.138 42.801 1.00 21.99 O HETATM 1778 O HOH 62 10.228 9.613 42.838 1.00 26.33 O HETATM 1779 O HOH 63 11.063 16.994 40.354 1.00 30.11 O HETATM 1780 O HOH 64 16.520 15.171 36.396 1.00 16.36 O HETATM 1781 O HOH 65 15.321 15.194 40.518 1.00 22.66 O HETATM 1782 O HOH 66 15.618 10.420 41.205 1.00 17.13 O HETATM 1783 O HOH 67 7.678 12.915 43.888 1.00 34.47 O HETATM 1784 O HOH 68 13.525 11.389 44.798 1.00 42.77 O HETATM 1785 O HOH 69 21.203 10.900 37.991 1.00 20.39 O HETATM 1786 O HOH 70 24.271 7.741 33.053 1.00 21.30 O HETATM 1787 O HOH 71 23.195 11.525 31.528 1.00 27.82 O HETATM 1788 O HOH 72 19.020 14.116 35.624 1.00 19.15 O HETATM 1789 O HOH 73 23.522 9.612 37.170 1.00 44.89 O HETATM 1790 O HOH 74 24.961 4.267 39.075 1.00 29.13 O HETATM 1791 O HOH 75 24.311 4.281 41.636 1.00 41.98 O HETATM 1792 O HOH 76 24.757 2.322 30.115 1.00 28.65 O HETATM 1793 O HOH 77 28.416 2.424 33.145 1.00 41.00 O HETATM 1794 O HOH 78 28.519 -0.677 35.142 1.00 37.76 O HETATM 1795 O HOH 79 26.324 -3.438 37.427 1.00 19.73 O HETATM 1796 O HOH 80 30.087 0.400 32.051 1.00 35.26 O HETATM 1797 O HOH 81 17.554 -2.840 30.382 1.00 39.82 O HETATM 1798 O HOH 82 21.256 -1.920 26.588 1.00104.78 O HETATM 1799 O HOH 83 17.478 -0.005 31.632 1.00 28.04 O HETATM 1800 O HOH 84 17.341 -0.678 27.716 1.00 24.02 O HETATM 1801 O HOH 85 31.192 -2.391 31.293 1.00 21.24 O HETATM 1802 O HOH 86 34.162 -1.625 26.318 1.00 42.62 O HETATM 1803 O HOH 87 20.299 -5.767 28.629 1.00 41.76 O HETATM 1804 O HOH 88 9.340 -1.633 28.651 1.00 98.11 O HETATM 1805 O HOH 89 14.406 -4.523 21.322 1.00 43.59 O HETATM 1806 O HOH 90 17.195 -3.749 18.628 1.00 42.46 O HETATM 1807 O HOH 91 18.170 -0.988 19.221 1.00 26.89 O HETATM 1808 O HOH 92 16.209 1.633 25.481 1.00 15.38 O HETATM 1809 O HOH 93 11.773 1.440 31.332 1.00 16.28 O HETATM 1810 O HOH 94 4.457 19.585 26.001 1.00 21.96 O HETATM 1811 O HOH 95 0.214 10.874 26.563 1.00 45.68 O HETATM 1812 O HOH 96 -1.112 14.878 28.188 1.00 29.48 O HETATM 1813 O HOH 97 2.543 18.329 5.994 1.00 18.82 O HETATM 1814 O HOH 98 -0.991 16.580 6.093 1.00 33.78 O HETATM 1815 O HOH 99 -1.124 11.194 10.328 1.00 20.94 O HETATM 1816 O HOH 100 0.486 11.537 16.899 1.00 26.29 O HETATM 1817 O HOH 101 0.214 12.419 21.654 1.00 41.50 O HETATM 1818 O HOH 102 22.421 5.622 24.841 1.00 20.73 O HETATM 1819 O HOH 103 22.954 1.779 28.106 1.00 30.79 O HETATM 1820 O HOH 104 19.055 1.551 18.419 1.00 15.76 O HETATM 1821 O HOH 105 21.876 1.287 20.620 1.00 53.34 O HETATM 1822 O HOH 106 27.134 7.809 21.788 1.00 37.05 O HETATM 1823 O HOH 107 27.064 14.268 18.819 1.00 38.46 O HETATM 1824 O HOH 108 23.184 13.897 22.292 1.00 39.06 O HETATM 1825 O HOH 109 29.415 9.449 14.500 1.00 38.85 O HETATM 1826 O HOH 110 29.945 12.687 17.482 1.00 60.17 O HETATM 1827 O HOH 111 20.090 11.106 15.217 1.00 13.30 O HETATM 1828 O HOH 112 26.586 3.130 11.891 1.00 51.43 O HETATM 1829 O HOH 113 27.459 6.603 9.976 1.00 34.72 O HETATM 1830 O HOH 114 27.232 10.749 13.618 1.00 86.23 O HETATM 1831 O HOH 115 25.740 10.355 11.378 1.00 18.52 O HETATM 1832 O HOH 116 27.084 13.415 14.059 1.00 39.54 O HETATM 1833 O HOH 117 27.301 14.295 16.478 1.00 36.76 O HETATM 1834 O HOH 118 24.345 16.354 14.951 1.00 34.65 O HETATM 1835 O HOH 119 22.113 17.588 18.295 1.00 40.60 O HETATM 1836 O HOH 120 13.633 -0.559 8.562 1.00 27.69 O HETATM 1837 O HOH 121 14.116 1.737 2.036 1.00 51.21 O HETATM 1838 O HOH 122 18.996 1.246 6.167 1.00 34.74 O HETATM 1839 O HOH 123 15.920 -1.152 11.594 1.00 42.17 O HETATM 1840 O HOH 124 15.019 3.572 15.795 1.00 12.76 O HETATM 1841 O HOH 125 -2.880 7.291 10.686 1.00 26.57 O HETATM 1842 O HOH 126 -1.663 8.577 13.482 1.00 32.76 O HETATM 1843 O HOH 127 13.989 -2.688 11.519 1.00 17.95 O HETATM 1844 O HOH 128 14.903 -4.434 17.408 1.00115.05 O HETATM 1845 O HOH 129 10.914 -6.415 11.226 1.00 21.34 O HETATM 1846 O HOH 130 8.084 -8.624 15.703 1.00 22.87 O HETATM 1847 O HOH 131 -0.749 7.974 16.765 1.00 91.23 O HETATM 1848 O HOH 132 0.824 8.343 22.723 1.00 24.86 O HETATM 1849 O HOH 133 14.899 -6.766 12.956 1.00 58.58 O HETATM 1850 O HOH 134 17.506 3.105 16.799 1.00 13.52 O HETATM 1851 O HOH 135 21.042 2.745 13.034 1.00 22.76 O HETATM 1852 O HOH 136 20.558 0.245 16.387 1.00 32.64 O HETATM 1853 O HOH 137 8.636 -5.466 23.101 1.00 24.40 O HETATM 1854 O HOH 138 10.294 -8.275 19.478 1.00 41.06 O HETATM 1855 O HOH 139 13.013 -7.831 17.893 1.00 41.45 O HETATM 1856 O HOH 140 5.929 21.079 30.260 1.00 45.85 O HETATM 1857 O HOH 141 1.065 16.897 41.468 1.00 43.69 O HETATM 1858 O HOH 142 1.245 -0.530 21.113 1.00 26.87 O HETATM 1859 O HOH 143 1.580 -2.265 23.237 1.00 25.33 O HETATM 1860 O HOH 144 -3.259 17.568 35.547 1.00 29.53 O HETATM 1861 O HOH 145 1.213 -3.806 15.948 1.00 43.61 O HETATM 1862 O HOH 146 0.022 10.388 29.237 1.00 41.53 O HETATM 1863 O HOH 147 -2.508 2.202 27.062 1.00 54.85 O HETATM 1864 O HOH 148 -1.467 -8.004 21.561 1.00 46.57 O HETATM 1865 O HOH 149 2.057 -2.285 27.422 1.00 38.21 O HETATM 1866 O HOH 150 5.729 -4.026 28.941 1.00 28.92 O HETATM 1867 O HOH 151 12.077 7.752 41.999 1.00 78.52 O HETATM 1868 O HOH 152 -0.186 6.049 23.744 1.00 43.00 O HETATM 1869 O HOH 153 17.233 16.245 38.912 1.00 24.36 O HETATM 1870 O HOH 154 14.137 9.004 43.072 1.00 27.09 O HETATM 1871 O HOH 155 16.227 13.041 41.944 1.00 23.57 O HETATM 1872 O HOH 156 -1.219 1.079 17.909 1.00 32.73 O HETATM 1873 O HOH 157 -2.486 1.199 13.443 1.00 44.74 O HETATM 1874 O HOH 158 20.335 10.879 40.813 1.00 27.93 O HETATM 1875 O HOH 159 20.893 13.619 37.484 1.00 21.59 O HETATM 1876 O HOH 160 -2.196 1.969 10.762 1.00 21.71 O HETATM 1877 O HOH 161 -3.234 0.995 6.685 1.00 26.93 O HETATM 1878 O HOH 162 -2.771 -2.314 4.853 1.00 66.89 O HETATM 1879 O HOH 163 3.157 -2.866 5.920 1.00 12.23 O HETATM 1880 O HOH 164 0.392 -3.936 4.232 1.00 15.13 O HETATM 1881 O HOH 165 -0.043 -3.968 8.295 1.00 19.77 O HETATM 1882 O HOH 166 24.160 10.754 34.293 1.00 46.83 O HETATM 1883 O HOH 167 24.043 13.641 30.578 1.00 42.66 O HETATM 1884 O HOH 168 26.372 7.272 39.162 1.00 42.50 O HETATM 1885 O HOH 169 30.531 -2.877 34.423 1.00 34.50 O HETATM 1886 O HOH 170 4.098 -9.234 2.959 1.00 17.53 O HETATM 1887 O HOH 171 3.560 -9.640 5.733 1.00 30.19 O HETATM 1888 O HOH 172 5.508 -6.590 8.477 1.00 16.33 O HETATM 1889 O HOH 173 -3.279 -10.313 9.637 1.00 54.26 O HETATM 1890 O HOH 174 15.766 -6.625 22.285 1.00 48.79 O HETATM 1891 O HOH 175 18.224 -3.764 15.053 1.00 41.66 O HETATM 1892 O HOH 176 0.701 10.539 24.067 1.00 37.33 O HETATM 1893 O HOH 177 7.688 -7.890 7.412 1.00 44.47 O HETATM 1894 O HOH 178 10.069 -6.257 6.680 1.00 21.88 O HETATM 1895 O HOH 179 -2.427 15.185 7.963 1.00 37.50 O HETATM 1896 O HOH 180 -2.419 12.457 8.078 1.00 42.11 O HETATM 1897 O HOH 181 -3.276 11.928 12.069 1.00 96.80 O HETATM 1898 O HOH 182 13.141 -0.667 1.534 1.00 52.48 O HETATM 1899 O HOH 183 15.276 -1.798 3.359 1.00 54.55 O HETATM 1900 O HOH 184 13.385 0.315 -4.276 1.00 45.29 O HETATM 1901 O HOH 185 14.806 -1.245 -0.946 1.00 47.43 O HETATM 1902 O HOH 186 9.257 0.642 -5.612 1.00 16.01 O HETATM 1903 O HOH 187 25.849 16.404 17.628 1.00 46.83 O HETATM 1904 O HOH 188 28.834 9.743 11.897 1.00 88.14 O HETATM 1905 O HOH 189 29.870 14.664 15.811 1.00 38.22 O HETATM 1906 O HOH 190 30.587 11.050 10.381 1.00 65.56 O HETATM 1907 O HOH 191 26.446 2.164 8.967 1.00 54.52 O HETATM 1908 O HOH 192 26.650 4.729 8.161 1.00 34.92 O HETATM 1909 O HOH 193 29.895 6.757 8.442 1.00 49.97 O HETATM 1910 O HOH 194 27.070 17.348 14.515 1.00 30.99 O HETATM 1911 O HOH 195 30.440 15.912 12.609 1.00122.40 O HETATM 1912 O HOH 196 -2.749 5.383 0.054 1.00 14.61 O HETATM 1913 O HOH 197 -4.014 9.787 7.245 1.00 42.28 O HETATM 1914 O HOH 198 -5.299 3.635 3.860 1.00 32.75 O HETATM 1915 O HOH 199 18.157 -1.282 8.160 1.00 41.81 O HETATM 1916 O HOH 200 -5.119 13.392 1.478 1.00 32.94 O HETATM 1917 O HOH 201 -6.384 16.161 2.065 1.00 48.78 O HETATM 1918 O HOH 202 13.772 -5.466 10.937 1.00 26.09 O HETATM 1919 O HOH 203 11.505 -8.958 11.825 1.00 62.08 O HETATM 1920 O HOH 204 10.194 -9.968 14.235 1.00 46.16 O HETATM 1921 O HOH 205 8.476 -9.564 18.146 1.00 46.66 O HETATM 1922 O HOH 206 22.784 2.868 16.196 1.00 59.26 O HETATM 1923 O HOH 207 7.371 -4.026 31.436 1.00 27.78 O HETATM 1924 O HOH 208 -4.023 9.995 4.389 1.00 16.47 O HETATM 1925 O HOH 209 -4.102 5.751 2.569 1.00 15.82 O HETATM 1926 O HOH 210 -2.409 5.919 22.164 1.00 45.14 O HETATM 1927 O HOH 211 3.187 4.951 -7.370 1.00 23.53 O HETATM 1928 O HOH 212 2.387 7.950 -7.313 1.00 39.60 O HETATM 1929 O HOH 213 -3.021 2.781 16.940 1.00 56.82 O HETATM 1930 O HOH 214 -3.441 4.553 10.864 1.00 28.87 O HETATM 1931 O HOH 215 -2.403 -2.785 9.760 1.00 40.35 O HETATM 1932 O HOH 216 5.451 6.675 -7.029 1.00 18.51 O HETATM 1933 O HOH 217 10.356 2.876 -7.196 1.00 21.76 O HETATM 1934 O HOH 218 14.431 8.637 -3.334 1.00 22.30 O HETATM 1935 O HOH 219 8.409 12.273 -5.787 1.00 26.22 O HETATM 1936 O HOH 220 14.315 4.188 -1.243 1.00 32.04 O HETATM 1937 O HOH 221 17.247 6.376 -0.571 1.00 40.34 O HETATM 1938 O HOH 222 13.521 15.801 -3.195 1.00 85.69 O HETATM 1939 O HOH 223 16.681 8.014 -6.537 1.00 53.72 O HETATM 1940 O HOH 224 6.209 11.365 -7.341 1.00 39.02 O HETATM 1941 O HOH 225 12.960 6.026 -7.900 1.00 48.94 O HETATM 1942 O HOH 226 15.466 6.123 -2.892 1.00 29.01 O HETATM 1943 O HOH 227 15.628 10.521 -1.706 1.00 38.52 O HETATM 1944 O HOH 228 6.969 21.407 -1.170 1.00 63.40 O HETATM 1945 O HOH 229 11.079 22.434 -2.056 1.00 27.25 O HETATM 1946 O HOH 230 8.537 22.995 -3.867 1.00 49.01 O HETATM 1947 O HOH 231 13.117 18.443 -3.511 1.00 70.77 O HETATM 1948 O HOH 232 16.076 4.188 -4.729 1.00 37.35 O HETATM 1949 O HOH 233 1.494 22.426 -1.531 1.00 33.60 O HETATM 1950 O HOH 234 0.789 20.387 4.888 1.00 49.24 O HETATM 1951 O HOH 235 0.150 23.033 4.979 1.00100.74 O HETATM 1952 O HOH 236 11.574 25.048 -1.539 1.00 39.05 O HETATM 1953 O HOH 237 14.259 25.417 -1.350 1.00 29.99 O HETATM 1954 O HOH 238 14.548 25.425 3.206 1.00 20.04 O HETATM 1955 O HOH 239 16.345 19.627 -2.756 1.00 28.34 O HETATM 1956 O HOH 240 13.247 20.940 -2.544 1.00 29.22 O HETATM 1957 O HOH 241 15.994 23.434 -2.696 1.00 29.36 O HETATM 1958 O HOH 242 18.239 19.167 0.993 1.00 17.66 O HETATM 1959 O HOH 243 11.157 28.134 3.784 1.00 47.98 O HETATM 1960 O HOH 244 23.542 13.507 10.909 1.00 46.25 O HETATM 1961 O HOH 245 26.300 15.923 5.678 1.00 25.06 O HETATM 1962 O HOH 246 28.069 16.109 10.099 1.00 32.24 O HETATM 1963 O HOH 247 27.894 12.903 8.041 1.00 35.85 O HETATM 1964 O HOH 248 30.362 12.716 8.400 1.00 36.03 O HETATM 1965 O HOH 249 6.904 26.439 8.136 1.00 45.20 O HETATM 1966 O HOH 250 10.689 27.810 8.366 1.00 31.70 O HETATM 1967 O HOH 251 7.697 25.596 12.546 1.00103.75 O HETATM 1968 O HOH 252 15.124 23.585 5.209 1.00 14.04 O HETATM 1969 O HOH 253 15.796 25.920 0.815 1.00 26.54 O HETATM 1970 O HOH 254 23.591 15.019 8.728 1.00 34.91 O HETATM 1971 O HOH 255 26.076 17.772 8.033 1.00 44.88 O HETATM 1972 O HOH 256 24.503 15.926 11.019 1.00 36.36 O HETATM 1973 O HOH 257 24.891 15.684 3.230 1.00 15.93 O HETATM 1974 O HOH 258 25.462 13.485 6.844 1.00 24.44 O HETATM 1975 O HOH 259 27.991 10.703 6.032 1.00 34.50 O HETATM 1976 O HOH 260 24.506 9.452 8.481 1.00 68.23 O HETATM 1977 O HOH 261 26.268 6.586 4.999 1.00 30.83 O HETATM 1978 O HOH 262 22.344 0.888 8.204 1.00 53.71 O HETATM 1979 O HOH 263 24.415 2.305 7.174 1.00 86.16 O HETATM 1980 O HOH 264 8.600 15.892 -10.052 1.00 38.72 O HETATM 1981 O1 A A 52 14.434 6.632 11.216 1.00 -0.37 O HETATM 1982 C10 A A 52 13.146 6.017 11.027 1.00 0.13 C HETATM 1983 C11 A A 52 13.507 4.704 10.445 1.00 -0.02 C HETATM 1984 C12 A A 52 14.868 4.513 10.512 1.00 -0.03 C HETATM 1985 C16 A A 52 15.408 3.320 10.028 1.00 0.08 C HETATM 1986 C15 A A 52 14.542 2.366 9.476 1.00 -0.04 C HETATM 1987 C14 A A 52 13.164 2.574 9.416 1.00 -0.08 C HETATM 1988 C13 A A 52 12.624 3.765 9.893 1.00 -0.07 C HETATM 1989 H9 A A 52 11.559 3.960 9.840 1.00 0.05 H HETATM 1990 H10 A A 52 12.516 1.811 8.999 1.00 0.06 H HETATM 1991 H11 A A 52 14.954 1.442 9.085 1.00 0.05 H HETATM 1992 O35 A A 52 16.751 3.092 10.085 1.00 -0.32 O HETATM 1993 C36 A A 52 17.301 1.870 9.585 1.00 0.07 C HETATM 1994 C37 A A 52 18.792 1.852 9.827 1.00 -0.04 C HETATM 1995 H23 A A 52 19.215 0.912 9.442 1.00 0.03 H HETATM 1996 H24 A A 52 18.989 1.928 10.906 1.00 0.03 H HETATM 1997 H25 A A 52 19.258 2.703 9.308 1.00 0.03 H HETATM 1998 H21 A A 52 17.104 1.794 8.505 1.00 0.06 H HETATM 1999 H22 A A 52 16.835 1.019 10.104 1.00 0.06 H HETATM 2000 C33 A A 52 12.481 5.838 12.391 1.00 0.00 C HETATM 2001 N34 A A 52 13.345 5.095 13.316 1.00 0.22 N HETATM 2002 H18 A A 52 12.879 4.994 14.204 1.00 0.20 H HETATM 2003 H19 A A 52 14.209 5.597 13.445 1.00 0.20 H HETATM 2004 H20 A A 52 13.541 4.183 12.934 1.00 0.20 H HETATM 2005 H16 A A 52 11.539 5.286 12.260 1.00 0.09 H HETATM 2006 H17 A A 52 12.268 6.829 12.818 1.00 0.09 H HETATM 2007 H7 A A 52 12.500 6.600 10.355 1.00 0.08 H HETATM 2008 O2' A A 52 16.040 5.500 12.520 1.00 -0.38 O HETATM 2009 C2' A A 52 17.174 6.328 12.777 1.00 0.14 C HETATM 2010 C1' A A 52 18.211 5.552 13.572 1.00 0.20 C HETATM 2011 N9 A A 52 19.100 6.493 14.325 1.00 -0.19 N HETATM 2012 C4 A A 52 19.606 6.233 15.531 1.00 0.16 C HETATM 2013 N3 A A 52 19.508 5.144 16.334 1.00 -0.27 N HETATM 2014 C2 A A 52 20.133 5.168 17.524 1.00 0.05 C HETATM 2015 N1 A A 52 20.854 6.230 17.928 1.00 -0.27 N HETATM 2016 C6 A A 52 20.964 7.336 17.161 1.00 0.13 C HETATM 2017 C5 A A 52 20.335 7.346 15.926 1.00 0.10 C HETATM 2018 N7 A A 52 20.245 8.265 14.945 1.00 -0.30 N HETATM 2019 C8 A A 52 19.491 7.731 13.967 1.00 0.11 C HETATM 2020 H5 A A 52 19.236 8.224 13.030 1.00 0.13 H HETATM 2021 N6 A A 52 21.682 8.406 17.584 1.00 -0.32 N HETATM 2022 H3 A A 52 21.758 9.243 16.989 1.00 0.18 H HETATM 2023 H4 A A 52 22.152 8.381 18.500 1.00 0.18 H HETATM 2024 H2 A A 52 20.054 4.307 18.177 1.00 0.10 H HETATM 2025 O4' A A 52 18.903 4.764 12.619 1.00 -0.34 O HETATM 2026 C4' A A 52 18.760 5.322 11.305 1.00 0.12 C HETATM 2027 C3' A A 52 17.772 6.484 11.396 1.00 0.11 C HETATM 2028 O3' A A 52 16.654 6.348 10.511 1.00 -0.39 O HETATM 2029 H14 A A 52 18.278 7.450 11.250 1.00 0.06 H HETATM 2030 C5' A A 52 20.125 5.781 10.840 1.00 0.11 C HETATM 2031 O5' A A 52 20.990 4.647 10.831 1.00 -0.27 O HETATM 2032 P A A 52 22.331 4.646 9.952 1.00 0.20 P HETATM 2033 O1P A A 52 23.003 3.347 10.298 1.00 -0.55 O HETATM 2034 O2P A A 52 21.848 4.712 8.527 1.00 -0.55 O HETATM 2035 O3P A A 52 23.045 5.899 10.377 1.00 -0.55 O HETATM 2036 H27 A A 52 20.517 6.544 11.528 1.00 0.06 H HETATM 2037 H28 A A 52 20.052 6.203 9.827 1.00 0.06 H HETATM 2038 H26 A A 52 18.372 4.564 10.609 1.00 0.07 H HETATM 2039 H6 A A 52 17.712 4.892 14.297 1.00 0.10 H HETATM 2040 H12 A A 52 16.908 7.281 13.257 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 87 88 94 95 96 CONECT 94 87 CONECT 95 87 CONECT 96 87 CONECT 737 738 749 750 751 CONECT 749 737 CONECT 750 737 CONECT 751 737 CONECT 1981 0 1982 CONECT 1982 1981 1983 2000 2007 CONECT 1983 1982 1984 1988 CONECT 1984 0 1983 1985 CONECT 1985 1984 1986 1992 CONECT 1986 1985 1987 1991 CONECT 1987 1986 1988 1990 CONECT 1988 1983 1987 1989 CONECT 1989 1988 CONECT 1990 1987 CONECT 1991 1986 CONECT 1992 1985 1993 CONECT 1993 1992 1994 1998 1999 CONECT 1994 1993 1995 1996 1997 CONECT 1995 1994 CONECT 1996 1994 CONECT 1997 1994 CONECT 1998 1993 CONECT 1999 1993 CONECT 2000 1982 2001 2005 2006 CONECT 2001 2000 2002 2003 2004 CONECT 2002 2001 CONECT 2003 2001 CONECT 2004 2001 CONECT 2005 2000 CONECT 2006 2000 CONECT 2007 1982 CONECT 2008 0 2009 CONECT 2009 2008 2010 2027 2040 CONECT 2010 2009 2011 2025 2039 CONECT 2011 2010 2012 2019 CONECT 2012 2011 2013 2017 CONECT 2013 2012 2014 CONECT 2014 2013 2015 2024 CONECT 2015 2014 2016 CONECT 2016 2015 2017 2021 CONECT 2017 2012 2016 2018 CONECT 2018 2017 2019 CONECT 2019 2011 2018 2020 CONECT 2020 2019 CONECT 2021 2016 2022 2023 CONECT 2022 2021 CONECT 2023 2021 CONECT 2024 2014 CONECT 2025 2010 2026 CONECT 2026 2025 2027 2030 2038 CONECT 2027 2009 2026 2028 2029 CONECT 2028 0 2027 CONECT 2029 2027 CONECT 2030 2026 2031 2036 2037 CONECT 2031 2030 2032 CONECT 2032 2031 2033 2034 2035 CONECT 2033 2032 CONECT 2034 2032 CONECT 2035 2032 CONECT 2036 2030 CONECT 2037 2030 CONECT 2038 2026 CONECT 2039 2010 CONECT 2040 2009 MASTER 0 0 0 0 0 0 0 0 2037 3 72 16 END
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Structure:
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Protein
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Related entries of code: 5agr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ags
RCSB PDB
PDBbind
232aa, >5AGS_1|Chain... at 100%
5agt
RCSB PDB
PDBbind
232aa, >5AGT_1|Chain... at 100%
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
5agr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
LeuRS editing domain of Mycobacterium tuberculosis
Ligand Name
A52
EC.Number
E.C.6.1.1.4
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=3.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Antimicrob.Agents Chemother. Vol. 60: pp. 6271-6280
Ligand Properties
Formula
C
2
0
H
2
7
BN
6
O
9
P
Molecular Weight
537.248
Exact Mass
537.167
No. of atoms
64
No. of bonds
69
Polar Surface Area
226.92
LOGP Value
-4.11 (
Computed with XLOGP3
)
-1.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 6
Canonical SMILES
CCOc1cccc2c1[B@@]1(O[C@H]3[C@@H](O1)[C@@H](O[C@@H]3COP(O)(O)O)n1cnc3c1ncnc3N)O[C@@H]2C[NH3+]
InChI String
InChI=1S/C20H27BN6O9P/c1-2-31-11-5-3-4-10-12(6-22)34-21(14(10)11)35-16-13(7-32-37(28,29)30)33-20(17(16)36-21)27-9-26-15-18(23)24-8-25-19(15)27/h3-5,8-9,12-13,16-17,20,28-30,37H,2,6-7,22H2,1H3,(H2,23,24,25)/p+1/t12-,13-,16-,17-,20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WFV1
Entrez Gene ID
NCBI Entrez Gene ID:
45424000
887040
ASD
Information of known allosteric effects of PDB entries
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