Browse entries in the PDBbind-CN Database
HEADER 4NNI_COMPLEX COMPND 4NNI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 161 ASN LEU TYR PHE GLN HIS MET ARG HIS PHE ALA ARG THR SEQRES 2 A 161 HIS ALA ILE GLY GLN ILE VAL PRO GLY LYS VAL THR LYS SEQRES 3 A 161 LEU VAL PRO PHE GLY ALA PHE VAL ARG VAL GLU GLU GLY SEQRES 4 A 161 ILE GLU GLY LEU VAL HIS ILE SER GLU LEU ALA GLU ARG SEQRES 5 A 161 HIS VAL GLU VAL PRO ASP GLN VAL VAL ALA VAL GLY ASP SEQRES 6 A 161 ASP ALA MET VAL LYS VAL ILE ASP ILE ASP LEU GLU ARG SEQRES 7 A 161 ARG ARG ILE SER LEU SER LEU LYS GLN ALA ASN GLU ASP SEQRES 8 A 161 TYR THR GLU GLU PHE ASP PRO ALA LYS TYR GLY MET ALA SEQRES 9 A 161 ASP SER TYR ASP GLU GLN GLY ASN TYR ILE PHE PRO GLU SEQRES 10 A 161 GLY PHE ASP ALA GLU THR ASN GLU TRP LEU GLU GLY PHE SEQRES 11 A 161 GLU LYS GLN ARG ALA GLU TRP GLU ALA ARG TYR ALA GLU SEQRES 12 A 161 ALA GLU ARG ARG HIS LYS MET HIS THR ALA GLN MET GLU SEQRES 13 A 161 LYS PHE ALA ALA ALA HET VGL A 185 12 ATOM 1 N ASN A 278 -4.362 15.966 28.257 1.00104.85 N ATOM 2 CA ASN A 278 -3.337 15.127 27.533 1.00111.88 C ATOM 3 C ASN A 278 -3.968 13.785 27.074 1.00112.03 C ATOM 4 O ASN A 278 -4.118 12.825 27.874 1.00 97.86 O ATOM 5 CB ASN A 278 -2.031 14.830 28.338 1.00118.72 C ATOM 6 CG ASN A 278 -1.519 16.001 29.215 1.00111.46 C ATOM 7 OD1 ASN A 278 -0.779 15.771 30.181 1.00 93.44 O ATOM 8 ND2 ASN A 278 -1.846 17.237 28.853 1.00111.31 N ATOM 9 HD22 ASN A 278 -2.470 17.392 28.036 1.00 0.00 H ATOM 10 HD21 ASN A 278 -1.478 18.050 29.387 1.00 0.00 H ATOM 11 HN3 ASN A 278 -4.705 15.448 29.091 1.00 0.00 H ATOM 12 HN2 ASN A 278 -5.159 16.165 27.619 1.00 0.00 H ATOM 13 HN1 ASN A 278 -3.926 16.861 28.558 1.00 0.00 H ATOM 14 N LEU A 279 -4.338 13.706 25.797 1.00 93.07 N ATOM 15 CA LEU A 279 -4.977 12.488 25.273 1.00 84.82 C ATOM 16 C LEU A 279 -4.071 11.234 25.232 1.00 73.35 C ATOM 17 O LEU A 279 -4.525 10.125 25.450 1.00 67.26 O ATOM 18 CB LEU A 279 -5.589 12.779 23.889 1.00 85.64 C ATOM 19 CG LEU A 279 -6.869 13.643 23.979 1.00 86.75 C ATOM 20 CD1 LEU A 279 -7.887 13.247 22.906 1.00 84.43 C ATOM 21 CD2 LEU A 279 -7.532 13.601 25.361 1.00 81.37 C ATOM 22 H LEU A 279 -4.174 14.514 25.163 1.00 0.00 H ATOM 23 N TYR A 280 -2.795 11.442 24.970 1.00 62.39 N ATOM 24 CA TYR A 280 -1.859 10.386 24.781 1.00 64.28 C ATOM 25 C TYR A 280 -1.550 9.647 26.082 1.00 59.83 C ATOM 26 O TYR A 280 -1.602 8.427 26.165 1.00 73.31 O ATOM 27 CB TYR A 280 -0.593 10.967 24.162 1.00 60.24 C ATOM 28 CG TYR A 280 0.335 9.923 23.672 1.00 58.33 C ATOM 29 CD1 TYR A 280 -0.156 8.783 23.011 1.00 59.97 C ATOM 30 CD2 TYR A 280 1.706 10.033 23.864 1.00 54.53 C ATOM 31 CE1 TYR A 280 0.704 7.804 22.543 1.00 56.86 C ATOM 32 CE2 TYR A 280 2.562 9.049 23.402 1.00 54.15 C ATOM 33 CZ TYR A 280 2.050 7.955 22.723 1.00 54.87 C ATOM 34 OH TYR A 280 2.907 6.973 22.266 1.00 69.59 O ATOM 35 HH TYR A 280 2.385 6.269 21.806 1.00 0.00 H ATOM 36 H TYR A 280 -2.457 12.423 24.898 1.00 0.00 H ATOM 37 N PHE A 281 -1.259 10.398 27.098 1.00 58.64 N ATOM 38 CA PHE A 281 -1.208 9.857 28.427 1.00 63.25 C ATOM 39 C PHE A 281 -2.451 9.057 28.781 1.00 64.33 C ATOM 40 O PHE A 281 -2.353 7.950 29.261 1.00 59.67 O ATOM 41 CB PHE A 281 -1.075 11.003 29.381 1.00 64.41 C ATOM 42 CG PHE A 281 -1.065 10.597 30.790 1.00 64.55 C ATOM 43 CD1 PHE A 281 -2.258 10.566 31.533 1.00 59.64 C ATOM 44 CD2 PHE A 281 0.133 10.279 31.403 1.00 57.67 C ATOM 45 CE1 PHE A 281 -2.224 10.188 32.857 1.00 50.56 C ATOM 46 CE2 PHE A 281 0.158 9.879 32.714 1.00 49.58 C ATOM 47 CZ PHE A 281 -1.014 9.844 33.434 1.00 48.68 C ATOM 48 H PHE A 281 -1.059 11.408 26.948 1.00 0.00 H ATOM 49 N GLN A 282 -3.618 9.619 28.547 1.00 67.17 N ATOM 50 CA GLN A 282 -4.853 8.938 28.894 1.00 65.21 C ATOM 51 C GLN A 282 -4.959 7.594 28.102 1.00 67.85 C ATOM 52 O GLN A 282 -5.308 6.540 28.661 1.00 59.13 O ATOM 53 CB GLN A 282 -6.062 9.847 28.609 1.00 65.68 C ATOM 54 CG GLN A 282 -7.215 9.759 29.612 1.00 85.75 C ATOM 55 CD GLN A 282 -8.494 10.464 29.109 1.00 94.37 C ATOM 56 OE1 GLN A 282 -8.770 10.473 27.910 1.00 96.04 O ATOM 57 NE2 GLN A 282 -9.267 11.070 30.025 1.00 82.08 N ATOM 58 HE22 GLN A 282 -9.002 11.041 31.030 1.00 0.00 H ATOM 59 HE21 GLN A 282 -10.131 11.568 29.729 1.00 0.00 H ATOM 60 H GLN A 282 -3.656 10.561 28.109 1.00 0.00 H ATOM 61 N HIS A 283 -4.680 7.619 26.804 1.00 68.12 N ATOM 62 CA HIS A 283 -4.735 6.382 26.012 1.00 72.93 C ATOM 63 C HIS A 283 -3.739 5.365 26.567 1.00 63.64 C ATOM 64 O HIS A 283 -4.069 4.214 26.785 1.00 62.07 O ATOM 65 CB HIS A 283 -4.396 6.629 24.554 1.00 78.46 C ATOM 66 CG HIS A 283 -5.510 7.233 23.759 1.00 96.64 C ATOM 67 ND1 HIS A 283 -5.850 6.788 22.497 1.00119.69 N ATOM 68 CD2 HIS A 283 -6.362 8.245 24.041 1.00 99.86 C ATOM 69 CE1 HIS A 283 -6.853 7.513 22.030 1.00110.37 C ATOM 70 NE2 HIS A 283 -7.177 8.407 22.946 1.00102.72 N ATOM 71 H HIS A 283 -4.422 8.517 26.346 1.00 0.00 H ATOM 72 N MET A 284 -2.526 5.809 26.843 1.00 58.50 N ATOM 73 CA MET A 284 -1.516 4.881 27.282 1.00 65.00 C ATOM 74 C MET A 284 -1.870 4.337 28.681 1.00 62.20 C ATOM 75 O MET A 284 -1.579 3.196 29.032 1.00 61.55 O ATOM 76 CB MET A 284 -0.145 5.530 27.243 1.00 62.19 C ATOM 77 CG MET A 284 1.007 4.561 27.402 1.00 67.26 C ATOM 78 SD MET A 284 2.451 4.923 26.382 1.00 72.78 S ATOM 79 CE MET A 284 3.585 4.724 27.717 1.00 79.60 C ATOM 80 H MET A 284 -2.302 6.820 26.744 1.00 0.00 H ATOM 81 N ARG A 285 -2.532 5.150 29.461 1.00 58.36 N ATOM 82 CA ARG A 285 -2.924 4.739 30.797 1.00 62.19 C ATOM 83 C ARG A 285 -4.021 3.695 30.709 1.00 54.72 C ATOM 84 O ARG A 285 -4.019 2.692 31.430 1.00 58.04 O ATOM 85 CB ARG A 285 -3.427 5.956 31.546 1.00 64.19 C ATOM 86 CG ARG A 285 -3.773 5.701 32.982 1.00 62.84 C ATOM 87 CD ARG A 285 -4.513 6.881 33.571 1.00 60.01 C ATOM 88 NE ARG A 285 -5.044 6.554 34.871 1.00 58.25 N ATOM 89 CZ ARG A 285 -6.343 6.385 35.126 1.00 61.40 C ATOM 90 NH1 ARG A 285 -7.275 6.539 34.183 1.00 55.49 N ATOM 91 NH2 ARG A 285 -6.720 6.086 36.352 1.00 62.70 N ATOM 92 HE ARG A 285 -4.374 6.443 35.658 1.00 0.00 H ATOM 93 HH12 ARG A 285 -8.279 6.400 34.416 1.00 0.00 H ATOM 94 HH11 ARG A 285 -6.997 6.798 33.215 1.00 0.00 H ATOM 95 HH22 ARG A 285 -7.728 5.951 36.568 1.00 0.00 H ATOM 96 HH21 ARG A 285 -6.009 5.985 37.105 1.00 0.00 H ATOM 97 H ARG A 285 -2.781 6.101 29.121 1.00 0.00 H ATOM 98 N HIS A 286 -4.965 3.952 29.821 1.00 50.31 N ATOM 99 CA HIS A 286 -6.025 3.001 29.531 1.00 57.52 C ATOM 100 C HIS A 286 -5.386 1.675 29.072 1.00 64.04 C ATOM 101 O HIS A 286 -5.774 0.580 29.505 1.00 62.00 O ATOM 102 CB HIS A 286 -6.954 3.542 28.446 1.00 55.67 C ATOM 103 CG HIS A 286 -8.039 2.600 28.045 1.00 65.93 C ATOM 104 ND1 HIS A 286 -9.061 2.231 28.897 1.00 74.74 N ATOM 105 CD2 HIS A 286 -8.257 1.934 26.886 1.00 73.86 C ATOM 106 CE1 HIS A 286 -9.865 1.385 28.279 1.00 78.30 C ATOM 107 NE2 HIS A 286 -9.399 1.187 27.057 1.00 75.44 N ATOM 108 H HIS A 286 -4.949 4.861 29.315 1.00 0.00 H ATOM 109 N PHE A 287 -4.403 1.783 28.191 1.00 56.24 N ATOM 110 CA PHE A 287 -3.729 0.630 27.763 1.00 51.42 C ATOM 111 C PHE A 287 -3.158 -0.164 28.966 1.00 59.04 C ATOM 112 O PHE A 287 -3.396 -1.378 29.114 1.00 61.49 O ATOM 113 CB PHE A 287 -2.647 1.032 26.812 1.00 48.95 C ATOM 114 CG PHE A 287 -1.947 -0.136 26.205 1.00 49.69 C ATOM 115 CD1 PHE A 287 -2.440 -0.729 25.058 1.00 52.33 C ATOM 116 CD2 PHE A 287 -0.850 -0.683 26.823 1.00 52.56 C ATOM 117 CE1 PHE A 287 -1.803 -1.806 24.496 1.00 49.19 C ATOM 118 CE2 PHE A 287 -0.202 -1.767 26.274 1.00 53.22 C ATOM 119 CZ PHE A 287 -0.687 -2.329 25.109 1.00 50.88 C ATOM 120 H PHE A 287 -4.133 2.716 27.819 1.00 0.00 H ATOM 121 N ALA A 288 -2.395 0.510 29.811 1.00 48.45 N ATOM 122 CA ALA A 288 -1.743 -0.152 30.921 1.00 55.11 C ATOM 123 C ALA A 288 -2.747 -0.837 31.844 1.00 62.72 C ATOM 124 O ALA A 288 -2.468 -1.875 32.417 1.00 59.70 O ATOM 125 CB ALA A 288 -0.926 0.841 31.730 1.00 52.81 C ATOM 126 H ALA A 288 -2.261 1.532 29.675 1.00 0.00 H ATOM 127 N ARG A 289 -3.891 -0.211 32.020 1.00 61.45 N ATOM 128 CA ARG A 289 -4.916 -0.758 32.888 1.00 63.37 C ATOM 129 C ARG A 289 -5.742 -1.843 32.234 1.00 64.18 C ATOM 130 O ARG A 289 -6.649 -2.336 32.849 1.00 65.74 O ATOM 131 CB ARG A 289 -5.859 0.369 33.335 1.00 64.35 C ATOM 132 CG ARG A 289 -5.203 1.244 34.379 1.00 73.77 C ATOM 133 CD ARG A 289 -5.813 2.620 34.382 1.00 86.39 C ATOM 134 NE ARG A 289 -7.149 2.617 34.959 1.00 82.76 N ATOM 135 CZ ARG A 289 -7.408 2.761 36.260 1.00 77.83 C ATOM 136 NH1 ARG A 289 -6.413 2.932 37.162 1.00 66.70 N ATOM 137 NH2 ARG A 289 -8.683 2.739 36.651 1.00 72.83 N ATOM 138 HE ARG A 289 -7.956 2.494 34.314 1.00 0.00 H ATOM 139 HH12 ARG A 289 -6.639 3.042 38.171 1.00 0.00 H ATOM 140 HH11 ARG A 289 -5.422 2.953 36.846 1.00 0.00 H ATOM 141 HH22 ARG A 289 -8.920 2.848 37.658 1.00 0.00 H ATOM 142 HH21 ARG A 289 -9.440 2.612 35.949 1.00 0.00 H ATOM 143 H ARG A 289 -4.063 0.690 31.529 1.00 0.00 H ATOM 144 N THR A 290 -5.490 -2.168 30.973 1.00 62.36 N ATOM 145 CA THR A 290 -6.246 -3.218 30.307 1.00 63.94 C ATOM 146 C THR A 290 -5.315 -4.320 29.782 1.00 60.89 C ATOM 147 O THR A 290 -5.716 -5.161 28.990 1.00 51.79 O ATOM 148 CB THR A 290 -7.074 -2.643 29.129 1.00 69.33 C ATOM 149 OG1 THR A 290 -6.232 -1.849 28.268 1.00 60.09 O ATOM 150 CG2 THR A 290 -8.189 -1.818 29.646 1.00 64.26 C ATOM 151 HG1 THR A 290 -5.843 -1.101 28.787 1.00 0.00 H ATOM 152 H THR A 290 -4.742 -1.666 30.453 1.00 0.00 H ATOM 153 N HIS A 291 -4.053 -4.231 30.148 1.00 53.58 N ATOM 154 CA HIS A 291 -3.103 -5.211 29.771 1.00 57.32 C ATOM 155 C HIS A 291 -2.210 -5.429 30.969 1.00 62.48 C ATOM 156 O HIS A 291 -1.668 -4.496 31.510 1.00 66.37 O ATOM 157 CB HIS A 291 -2.249 -4.729 28.591 1.00 55.36 C ATOM 158 CG HIS A 291 -3.038 -4.380 27.382 1.00 48.22 C ATOM 159 ND1 HIS A 291 -3.733 -3.198 27.260 1.00 61.17 N ATOM 160 CD2 HIS A 291 -3.258 -5.059 26.239 1.00 54.59 C ATOM 161 CE1 HIS A 291 -4.387 -3.183 26.111 1.00 59.35 C ATOM 162 NE2 HIS A 291 -4.114 -4.300 25.467 1.00 53.60 N ATOM 163 H HIS A 291 -3.747 -3.423 30.727 1.00 0.00 H ATOM 164 N ALA A 292 -2.038 -6.672 31.366 1.00 66.12 N ATOM 165 CA ALA A 292 -1.021 -7.027 32.348 1.00 72.10 C ATOM 166 C ALA A 292 0.424 -7.073 31.782 1.00 64.67 C ATOM 167 O ALA A 292 0.675 -7.564 30.709 1.00 68.20 O ATOM 168 CB ALA A 292 -1.374 -8.393 32.920 1.00 79.22 C ATOM 169 H ALA A 292 -2.643 -7.419 30.969 1.00 0.00 H ATOM 170 N ILE A 293 1.388 -6.632 32.560 1.00 63.22 N ATOM 171 CA ILE A 293 2.774 -6.945 32.253 1.00 57.79 C ATOM 172 C ILE A 293 2.881 -8.459 32.072 1.00 62.80 C ATOM 173 O ILE A 293 2.236 -9.218 32.765 1.00 66.55 O ATOM 174 CB ILE A 293 3.721 -6.529 33.379 1.00 55.85 C ATOM 175 CG1 ILE A 293 3.634 -5.020 33.649 1.00 54.79 C ATOM 176 CG2 ILE A 293 5.148 -6.937 33.059 1.00 55.15 C ATOM 177 CD1 ILE A 293 3.911 -4.167 32.430 1.00 64.54 C ATOM 178 H ILE A 293 1.158 -6.058 33.396 1.00 0.00 H ATOM 179 N GLY A 294 3.682 -8.881 31.111 1.00 60.88 N ATOM 180 CA GLY A 294 3.752 -10.267 30.736 1.00 50.56 C ATOM 181 C GLY A 294 2.809 -10.637 29.643 1.00 55.44 C ATOM 182 O GLY A 294 3.048 -11.597 28.925 1.00 52.20 O ATOM 183 H GLY A 294 4.279 -8.191 30.611 1.00 0.00 H ATOM 184 N GLN A 295 1.745 -9.872 29.446 1.00 55.64 N ATOM 185 CA GLN A 295 0.820 -10.215 28.378 1.00 52.59 C ATOM 186 C GLN A 295 1.533 -10.259 27.026 1.00 58.01 C ATOM 187 O GLN A 295 2.421 -9.459 26.707 1.00 65.26 O ATOM 188 CB GLN A 295 -0.314 -9.217 28.312 1.00 65.09 C ATOM 189 CG GLN A 295 -1.706 -9.793 28.418 1.00 75.62 C ATOM 190 CD GLN A 295 -2.616 -9.293 27.310 1.00 83.51 C ATOM 191 OE1 GLN A 295 -3.407 -8.368 27.495 1.00 81.27 O ATOM 192 NE2 GLN A 295 -2.499 -9.913 26.136 1.00 85.83 N ATOM 193 HE22 GLN A 295 -1.817 -10.690 26.024 1.00 0.00 H ATOM 194 HE21 GLN A 295 -3.090 -9.620 25.332 1.00 0.00 H ATOM 195 H GLN A 295 1.574 -9.040 30.046 1.00 0.00 H ATOM 196 N ILE A 296 1.133 -11.211 26.217 1.00 57.43 N ATOM 197 CA ILE A 296 1.690 -11.351 24.913 1.00 50.75 C ATOM 198 C ILE A 296 0.641 -10.972 23.924 1.00 56.00 C ATOM 199 O ILE A 296 -0.462 -11.543 23.942 1.00 51.02 O ATOM 200 CB ILE A 296 2.088 -12.804 24.649 1.00 59.57 C ATOM 201 CG1 ILE A 296 3.321 -13.185 25.503 1.00 62.22 C ATOM 202 CG2 ILE A 296 2.414 -12.986 23.177 1.00 63.54 C ATOM 203 CD1 ILE A 296 3.698 -14.663 25.524 1.00 52.88 C ATOM 204 H ILE A 296 0.397 -11.875 26.533 1.00 0.00 H ATOM 205 N VAL A 297 0.961 -10.019 23.046 1.00 53.45 N ATOM 206 CA VAL A 297 -0.071 -9.397 22.198 1.00 46.34 C ATOM 207 C VAL A 297 0.360 -9.348 20.755 1.00 47.27 C ATOM 208 O VAL A 297 1.553 -9.355 20.474 1.00 50.67 O ATOM 209 CB VAL A 297 -0.298 -7.960 22.643 1.00 51.08 C ATOM 210 CG1 VAL A 297 -0.865 -7.935 24.041 1.00 49.23 C ATOM 211 CG2 VAL A 297 1.009 -7.171 22.654 1.00 49.16 C ATOM 212 H VAL A 297 1.951 -9.712 22.959 1.00 0.00 H ATOM 213 N PRO A 298 -0.595 -9.300 19.835 1.00 47.30 N ATOM 214 CA PRO A 298 -0.245 -9.110 18.424 1.00 52.90 C ATOM 215 C PRO A 298 0.126 -7.672 18.097 1.00 49.29 C ATOM 216 O PRO A 298 -0.457 -6.762 18.631 1.00 53.08 O ATOM 217 CB PRO A 298 -1.554 -9.402 17.696 1.00 49.41 C ATOM 218 CG PRO A 298 -2.595 -8.981 18.642 1.00 51.07 C ATOM 219 CD PRO A 298 -2.054 -9.294 20.034 1.00 49.99 C ATOM 220 N GLY A 299 1.020 -7.501 17.139 1.00 55.14 N ATOM 221 CA GLY A 299 1.456 -6.182 16.728 1.00 54.23 C ATOM 222 C GLY A 299 1.911 -6.174 15.312 1.00 52.17 C ATOM 223 O GLY A 299 2.153 -7.228 14.715 1.00 56.74 O ATOM 224 H GLY A 299 1.422 -8.336 16.667 1.00 0.00 H ATOM 225 N LYS A 300 2.017 -4.980 14.752 1.00 58.29 N ATOM 226 CA LYS A 300 2.489 -4.800 13.372 1.00 50.72 C ATOM 227 C LYS A 300 3.695 -3.914 13.507 1.00 50.56 C ATOM 228 O LYS A 300 3.640 -2.922 14.231 1.00 55.11 O ATOM 229 CB LYS A 300 1.460 -4.093 12.559 1.00 59.92 C ATOM 230 CG LYS A 300 1.612 -4.210 11.058 1.00 77.65 C ATOM 231 CD LYS A 300 0.499 -5.068 10.489 1.00 83.69 C ATOM 232 CE LYS A 300 0.308 -4.853 9.009 1.00 79.93 C ATOM 233 NZ LYS A 300 -0.164 -6.125 8.410 1.00 83.13 N ATOM 234 HZ1 LYS A 300 0.545 -6.868 8.574 1.00 0.00 H ATOM 235 HZ2 LYS A 300 -1.065 -6.401 8.850 1.00 0.00 H ATOM 236 HZ3 LYS A 300 -0.301 -5.995 7.387 1.00 0.00 H ATOM 237 H LYS A 300 1.757 -4.140 15.308 1.00 0.00 H ATOM 238 N VAL A 301 4.791 -4.269 12.832 1.00 53.65 N ATOM 239 CA VAL A 301 6.051 -3.502 12.875 1.00 56.81 C ATOM 240 C VAL A 301 5.917 -2.277 11.979 1.00 56.59 C ATOM 241 O VAL A 301 5.752 -2.412 10.774 1.00 60.86 O ATOM 242 CB VAL A 301 7.261 -4.334 12.368 1.00 52.74 C ATOM 243 CG1 VAL A 301 8.489 -3.490 12.184 1.00 49.68 C ATOM 244 CG2 VAL A 301 7.584 -5.456 13.315 1.00 52.26 C ATOM 245 H VAL A 301 4.755 -5.128 12.247 1.00 0.00 H ATOM 246 N THR A 302 6.005 -1.093 12.575 1.00 55.86 N ATOM 247 CA THR A 302 5.786 0.178 11.841 1.00 56.33 C ATOM 248 C THR A 302 7.043 0.924 11.447 1.00 53.42 C ATOM 249 O THR A 302 7.059 1.707 10.521 1.00 56.18 O ATOM 250 CB THR A 302 4.968 1.162 12.675 1.00 53.74 C ATOM 251 OG1 THR A 302 5.654 1.450 13.914 1.00 58.00 O ATOM 252 CG2 THR A 302 3.578 0.583 12.959 1.00 49.83 C ATOM 253 HG1 THR A 302 5.116 2.088 14.447 1.00 0.00 H ATOM 254 H THR A 302 6.235 -1.056 13.589 1.00 0.00 H ATOM 255 N LYS A 303 8.109 0.720 12.179 1.00 56.49 N ATOM 256 CA LYS A 303 9.263 1.528 11.948 1.00 53.04 C ATOM 257 C LYS A 303 10.465 0.908 12.562 1.00 48.09 C ATOM 258 O LYS A 303 10.424 0.424 13.679 1.00 58.91 O ATOM 259 CB LYS A 303 9.059 2.907 12.568 1.00 59.80 C ATOM 260 CG LYS A 303 9.822 3.976 11.841 1.00 73.17 C ATOM 261 CD LYS A 303 9.667 5.329 12.488 1.00 77.31 C ATOM 262 CE LYS A 303 10.520 6.362 11.753 1.00 85.15 C ATOM 263 NZ LYS A 303 11.534 7.017 12.637 1.00 87.08 N ATOM 264 HZ1 LYS A 303 11.049 7.504 13.417 1.00 0.00 H ATOM 265 HZ2 LYS A 303 12.174 6.294 13.023 1.00 0.00 H ATOM 266 HZ3 LYS A 303 12.081 7.707 12.083 1.00 0.00 H ATOM 267 H LYS A 303 8.115 -0.016 12.914 1.00 0.00 H ATOM 268 N LEU A 304 11.563 1.020 11.838 1.00 55.18 N ATOM 269 CA LEU A 304 12.877 0.567 12.242 1.00 50.90 C ATOM 270 C LEU A 304 13.771 1.717 12.654 1.00 51.99 C ATOM 271 O LEU A 304 13.763 2.760 12.034 1.00 55.63 O ATOM 272 CB LEU A 304 13.495 -0.135 11.051 1.00 49.99 C ATOM 273 CG LEU A 304 13.262 -1.631 11.067 1.00 57.02 C ATOM 274 CD1 LEU A 304 11.842 -2.010 11.445 1.00 64.72 C ATOM 275 CD2 LEU A 304 13.646 -2.237 9.733 1.00 55.87 C ATOM 276 H LEU A 304 11.477 1.469 10.904 1.00 0.00 H ATOM 277 N VAL A 305 14.575 1.520 13.683 1.00 54.44 N ATOM 278 CA VAL A 305 15.510 2.538 14.080 1.00 55.97 C ATOM 279 C VAL A 305 16.784 1.873 14.575 1.00 63.95 C ATOM 280 O VAL A 305 16.820 0.671 14.830 1.00 61.56 O ATOM 281 CB VAL A 305 14.945 3.429 15.209 1.00 60.13 C ATOM 282 CG1 VAL A 305 13.778 4.252 14.742 1.00 49.97 C ATOM 283 CG2 VAL A 305 14.519 2.579 16.395 1.00 64.19 C ATOM 284 H VAL A 305 14.532 0.624 14.209 1.00 0.00 H ATOM 285 N PRO A 306 17.851 2.660 14.723 1.00 67.77 N ATOM 286 CA PRO A 306 19.077 2.020 15.156 1.00 65.59 C ATOM 287 C PRO A 306 18.897 1.264 16.450 1.00 59.76 C ATOM 288 O PRO A 306 19.511 0.251 16.631 1.00 68.88 O ATOM 289 CB PRO A 306 20.025 3.193 15.346 1.00 70.36 C ATOM 290 CG PRO A 306 19.483 4.247 14.394 1.00 68.89 C ATOM 291 CD PRO A 306 18.015 4.117 14.540 1.00 61.25 C ATOM 292 N PHE A 307 18.025 1.726 17.322 1.00 69.03 N ATOM 293 CA PHE A 307 17.889 1.101 18.651 1.00 69.11 C ATOM 294 C PHE A 307 16.712 0.124 18.814 1.00 64.63 C ATOM 295 O PHE A 307 16.450 -0.302 19.922 1.00 69.07 O ATOM 296 CB PHE A 307 17.808 2.171 19.746 1.00 68.39 C ATOM 297 CG PHE A 307 16.740 3.185 19.511 1.00 72.91 C ATOM 298 CD1 PHE A 307 16.993 4.297 18.703 1.00 70.54 C ATOM 299 CD2 PHE A 307 15.489 3.038 20.080 1.00 62.88 C ATOM 300 CE1 PHE A 307 16.012 5.242 18.480 1.00 64.21 C ATOM 301 CE2 PHE A 307 14.500 3.979 19.858 1.00 69.15 C ATOM 302 CZ PHE A 307 14.758 5.081 19.047 1.00 71.17 C ATOM 303 H PHE A 307 17.427 2.539 17.071 1.00 0.00 H ATOM 304 N GLY A 308 16.050 -0.266 17.725 1.00 55.62 N ATOM 305 CA GLY A 308 14.993 -1.225 17.805 1.00 50.63 C ATOM 306 C GLY A 308 13.928 -1.099 16.737 1.00 47.63 C ATOM 307 O GLY A 308 14.180 -0.658 15.645 1.00 55.85 O ATOM 308 H GLY A 308 16.307 0.135 16.800 1.00 0.00 H ATOM 309 N ALA A 309 12.716 -1.482 17.084 1.00 45.24 N ATOM 310 CA ALA A 309 11.634 -1.498 16.145 1.00 48.16 C ATOM 311 C ALA A 309 10.363 -1.137 16.868 1.00 52.66 C ATOM 312 O ALA A 309 10.046 -1.707 17.937 1.00 50.92 O ATOM 313 CB ALA A 309 11.474 -2.879 15.553 1.00 44.29 C ATOM 314 H ALA A 309 12.540 -1.780 18.065 1.00 0.00 H ATOM 315 N PHE A 310 9.613 -0.231 16.264 1.00 47.20 N ATOM 316 CA PHE A 310 8.393 0.190 16.862 1.00 50.98 C ATOM 317 C PHE A 310 7.344 -0.682 16.321 1.00 50.36 C ATOM 318 O PHE A 310 7.374 -1.031 15.142 1.00 51.66 O ATOM 319 CB PHE A 310 8.072 1.634 16.533 1.00 57.72 C ATOM 320 CG PHE A 310 8.829 2.618 17.364 1.00 57.00 C ATOM 321 CD1 PHE A 310 8.377 2.962 18.629 1.00 61.42 C ATOM 322 CD2 PHE A 310 9.991 3.197 16.884 1.00 54.52 C ATOM 323 CE1 PHE A 310 9.082 3.880 19.415 1.00 67.36 C ATOM 324 CE2 PHE A 310 10.701 4.115 17.653 1.00 54.48 C ATOM 325 CZ PHE A 310 10.260 4.463 18.913 1.00 59.71 C ATOM 326 H PHE A 310 9.914 0.173 15.354 1.00 0.00 H ATOM 327 N VAL A 311 6.395 -1.015 17.188 1.00 51.34 N ATOM 328 CA VAL A 311 5.313 -1.903 16.825 1.00 52.47 C ATOM 329 C VAL A 311 3.961 -1.373 17.274 1.00 52.30 C ATOM 330 O VAL A 311 3.764 -1.038 18.442 1.00 54.58 O ATOM 331 CB VAL A 311 5.513 -3.243 17.526 1.00 52.90 C ATOM 332 CG1 VAL A 311 4.410 -4.215 17.146 1.00 60.46 C ATOM 333 CG2 VAL A 311 6.843 -3.826 17.151 1.00 53.79 C ATOM 334 H VAL A 311 6.431 -0.627 18.152 1.00 0.00 H ATOM 335 N ARG A 312 3.023 -1.354 16.361 1.00 54.44 N ATOM 336 CA ARG A 312 1.679 -0.910 16.683 1.00 59.51 C ATOM 337 C ARG A 312 0.956 -2.097 17.264 1.00 64.17 C ATOM 338 O ARG A 312 0.967 -3.194 16.678 1.00 66.42 O ATOM 339 CB ARG A 312 0.957 -0.435 15.450 1.00 56.26 C ATOM 340 CG ARG A 312 -0.334 0.323 15.723 1.00 68.17 C ATOM 341 CD ARG A 312 -1.152 0.584 14.448 1.00 71.05 C ATOM 342 NE ARG A 312 -1.614 -0.700 13.916 1.00 91.17 N ATOM 343 CZ ARG A 312 -1.600 -1.060 12.640 1.00 96.12 C ATOM 344 NH1 ARG A 312 -1.181 -0.223 11.692 1.00 98.74 N ATOM 345 NH2 ARG A 312 -2.024 -2.287 12.319 1.00 89.62 N ATOM 346 HE ARG A 312 -1.986 -1.390 14.599 1.00 0.00 H ATOM 347 HH12 ARG A 312 -1.178 -0.524 10.697 1.00 0.00 H ATOM 348 HH11 ARG A 312 -0.857 0.732 11.947 1.00 0.00 H ATOM 349 HH22 ARG A 312 -2.023 -2.594 11.325 1.00 0.00 H ATOM 350 HH21 ARG A 312 -2.355 -2.934 13.063 1.00 0.00 H ATOM 351 H ARG A 312 3.244 -1.661 15.392 1.00 0.00 H ATOM 352 N VAL A 313 0.345 -1.872 18.419 1.00 60.34 N ATOM 353 CA VAL A 313 -0.229 -2.946 19.216 1.00 62.90 C ATOM 354 C VAL A 313 -1.746 -2.941 19.175 1.00 61.35 C ATOM 355 O VAL A 313 -2.380 -1.943 19.528 1.00 55.13 O ATOM 356 CB VAL A 313 0.205 -2.832 20.679 1.00 62.99 C ATOM 357 CG1 VAL A 313 -0.675 -3.719 21.537 1.00 72.26 C ATOM 358 CG2 VAL A 313 1.656 -3.246 20.831 1.00 56.02 C ATOM 359 H VAL A 313 0.273 -0.895 18.767 1.00 0.00 H ATOM 360 N GLU A 314 -2.285 -4.073 18.694 1.00 81.95 N ATOM 361 CA GLU A 314 -3.736 -4.353 18.556 1.00 83.59 C ATOM 362 C GLU A 314 -4.474 -3.331 17.692 1.00 83.13 C ATOM 363 O GLU A 314 -5.592 -2.951 18.025 1.00 87.45 O ATOM 364 CB GLU A 314 -4.417 -4.446 19.929 1.00 84.82 C ATOM 365 CG GLU A 314 -4.039 -5.658 20.762 1.00 85.53 C ATOM 366 CD GLU A 314 -4.324 -5.434 22.254 1.00 87.05 C ATOM 367 OE1 GLU A 314 -4.222 -6.395 23.048 1.00 69.55 O ATOM 368 OE2 GLU A 314 -4.624 -4.273 22.646 1.00 93.19 O ATOM 369 H GLU A 314 -1.627 -4.820 18.391 1.00 0.00 H ATOM 370 N GLU A 315 -3.847 -2.881 16.601 1.00 81.24 N ATOM 371 CA GLU A 315 -4.346 -1.707 15.822 1.00 84.73 C ATOM 372 C GLU A 315 -4.552 -0.418 16.672 1.00 81.28 C ATOM 373 O GLU A 315 -5.364 0.431 16.344 1.00 77.64 O ATOM 374 CB GLU A 315 -5.610 -2.085 15.069 1.00 88.67 C ATOM 375 CG GLU A 315 -5.333 -3.041 13.920 1.00105.23 C ATOM 376 CD GLU A 315 -6.490 -3.974 13.638 1.00104.08 C ATOM 377 OE1 GLU A 315 -7.621 -3.488 13.420 1.00 93.94 O ATOM 378 OE2 GLU A 315 -6.258 -5.197 13.636 1.00112.26 O ATOM 379 H GLU A 315 -2.983 -3.364 16.283 1.00 0.00 H ATOM 380 N GLY A 316 -3.768 -0.278 17.742 1.00 86.20 N ATOM 381 CA GLY A 316 -3.994 0.728 18.758 1.00 79.08 C ATOM 382 C GLY A 316 -2.845 1.671 18.699 1.00 79.28 C ATOM 383 O GLY A 316 -2.718 2.408 17.756 1.00 85.54 O ATOM 384 H GLY A 316 -2.958 -0.921 17.851 1.00 0.00 H ATOM 385 N ILE A 317 -1.966 1.598 19.691 1.00 89.54 N ATOM 386 CA ILE A 317 -0.789 2.478 19.756 1.00 82.72 C ATOM 387 C ILE A 317 0.506 1.717 19.727 1.00 68.88 C ATOM 388 O ILE A 317 0.514 0.484 19.663 1.00 67.53 O ATOM 389 CB ILE A 317 -0.792 3.391 20.980 1.00 94.24 C ATOM 390 CG1 ILE A 317 -1.195 2.605 22.221 1.00 85.18 C ATOM 391 CG2 ILE A 317 -1.663 4.622 20.684 1.00108.74 C ATOM 392 CD1 ILE A 317 -1.563 3.515 23.378 1.00 92.55 C ATOM 393 H ILE A 317 -2.114 0.897 20.445 1.00 0.00 H ATOM 394 N GLU A 318 1.602 2.452 19.747 1.00 60.97 N ATOM 395 CA GLU A 318 2.889 1.869 19.442 1.00 63.72 C ATOM 396 C GLU A 318 3.705 1.603 20.672 1.00 61.44 C ATOM 397 O GLU A 318 3.728 2.420 21.561 1.00 59.04 O ATOM 398 CB GLU A 318 3.663 2.758 18.487 1.00 65.46 C ATOM 399 CG GLU A 318 3.161 2.645 17.060 1.00 69.96 C ATOM 400 CD GLU A 318 3.819 3.629 16.117 1.00 79.26 C ATOM 401 OE1 GLU A 318 4.403 3.186 15.088 1.00 82.52 O ATOM 402 OE2 GLU A 318 3.758 4.846 16.410 1.00 91.75 O ATOM 403 H GLU A 318 1.539 3.462 19.985 1.00 0.00 H ATOM 404 N GLY A 319 4.396 0.457 20.701 1.00 54.06 N ATOM 405 CA GLY A 319 5.453 0.264 21.680 1.00 52.42 C ATOM 406 C GLY A 319 6.777 0.120 20.980 1.00 53.01 C ATOM 407 O GLY A 319 6.852 -0.005 19.771 1.00 56.45 O ATOM 408 H GLY A 319 4.176 -0.298 20.021 1.00 0.00 H ATOM 409 N LEU A 320 7.826 0.070 21.763 1.00 54.95 N ATOM 410 CA LEU A 320 9.121 -0.206 21.230 1.00 54.61 C ATOM 411 C LEU A 320 9.668 -1.607 21.582 1.00 60.39 C ATOM 412 O LEU A 320 9.763 -1.966 22.747 1.00 53.12 O ATOM 413 CB LEU A 320 10.088 0.820 21.790 1.00 54.66 C ATOM 414 CG LEU A 320 11.506 0.599 21.273 1.00 57.60 C ATOM 415 CD1 LEU A 320 11.596 0.796 19.767 1.00 59.49 C ATOM 416 CD2 LEU A 320 12.450 1.521 22.013 1.00 54.66 C ATOM 417 H LEU A 320 7.714 0.233 22.784 1.00 0.00 H ATOM 418 N VAL A 321 10.094 -2.371 20.576 1.00 63.12 N ATOM 419 CA VAL A 321 10.938 -3.531 20.836 1.00 51.38 C ATOM 420 C VAL A 321 12.361 -3.056 20.704 1.00 56.10 C ATOM 421 O VAL A 321 12.875 -2.833 19.609 1.00 56.74 O ATOM 422 CB VAL A 321 10.753 -4.673 19.863 1.00 52.22 C ATOM 423 CG1 VAL A 321 11.657 -5.819 20.229 1.00 54.71 C ATOM 424 CG2 VAL A 321 9.310 -5.153 19.844 1.00 59.55 C ATOM 425 H VAL A 321 9.823 -2.138 19.599 1.00 0.00 H ATOM 426 N HIS A 322 13.026 -2.961 21.825 1.00 49.91 N ATOM 427 CA HIS A 322 14.409 -2.600 21.801 1.00 50.38 C ATOM 428 C HIS A 322 15.213 -3.607 21.008 1.00 58.30 C ATOM 429 O HIS A 322 14.839 -4.784 20.866 1.00 61.08 O ATOM 430 CB HIS A 322 14.937 -2.471 23.222 1.00 45.83 C ATOM 431 CG HIS A 322 16.286 -1.884 23.284 1.00 55.65 C ATOM 432 ND1 HIS A 322 17.428 -2.660 23.317 1.00 73.47 N ATOM 433 CD2 HIS A 322 16.702 -0.596 23.266 1.00 64.41 C ATOM 434 CE1 HIS A 322 18.495 -1.878 23.339 1.00 69.92 C ATOM 435 NE2 HIS A 322 18.082 -0.618 23.315 1.00 73.63 N ATOM 436 H HIS A 322 12.551 -3.147 22.731 1.00 0.00 H ATOM 437 N ILE A 323 16.314 -3.153 20.451 1.00 58.04 N ATOM 438 CA ILE A 323 17.106 -4.012 19.577 1.00 58.86 C ATOM 439 C ILE A 323 17.593 -5.288 20.318 1.00 62.54 C ATOM 440 O ILE A 323 17.582 -6.372 19.763 1.00 67.89 O ATOM 441 CB ILE A 323 18.277 -3.222 18.948 1.00 58.41 C ATOM 442 CG1 ILE A 323 19.060 -4.106 17.990 1.00 68.93 C ATOM 443 CG2 ILE A 323 19.221 -2.654 20.002 1.00 57.31 C ATOM 444 CD1 ILE A 323 19.981 -3.337 17.047 1.00 62.77 C ATOM 445 H ILE A 323 16.622 -2.177 20.634 1.00 0.00 H ATOM 446 N SER A 324 18.037 -5.170 21.560 1.00 63.22 N ATOM 447 CA SER A 324 18.466 -6.347 22.355 1.00 60.17 C ATOM 448 C SER A 324 17.313 -7.344 22.627 1.00 59.05 C ATOM 449 O SER A 324 17.568 -8.474 22.959 1.00 62.77 O ATOM 450 CB SER A 324 19.006 -5.897 23.702 1.00 56.01 C ATOM 451 OG SER A 324 17.917 -5.337 24.474 1.00 58.54 O ATOM 452 HG SER A 324 17.534 -4.564 23.989 1.00 0.00 H ATOM 453 H SER A 324 18.086 -4.225 21.991 1.00 0.00 H ATOM 454 N GLU A 325 16.057 -6.924 22.485 1.00 52.95 N ATOM 455 CA GLU A 325 14.914 -7.801 22.703 1.00 50.97 C ATOM 456 C GLU A 325 14.259 -8.368 21.426 1.00 52.30 C ATOM 457 O GLU A 325 13.111 -8.882 21.447 1.00 51.35 O ATOM 458 CB GLU A 325 13.833 -7.040 23.455 1.00 52.96 C ATOM 459 CG GLU A 325 14.303 -6.536 24.780 1.00 53.17 C ATOM 460 CD GLU A 325 14.428 -7.624 25.796 1.00 56.54 C ATOM 461 OE1 GLU A 325 13.731 -8.695 25.671 1.00 51.80 O ATOM 462 OE2 GLU A 325 15.252 -7.388 26.723 1.00 62.12 O ATOM 463 H GLU A 325 15.886 -5.936 22.209 1.00 0.00 H ATOM 464 N LEU A 326 14.960 -8.270 20.324 1.00 50.08 N ATOM 465 CA LEU A 326 14.434 -8.766 19.076 1.00 53.86 C ATOM 466 C LEU A 326 14.588 -10.264 18.972 1.00 54.80 C ATOM 467 O LEU A 326 13.711 -10.950 18.438 1.00 53.82 O ATOM 468 CB LEU A 326 15.143 -8.114 17.891 1.00 54.83 C ATOM 469 CG LEU A 326 14.659 -6.688 17.579 1.00 56.57 C ATOM 470 CD1 LEU A 326 15.626 -6.040 16.610 1.00 55.71 C ATOM 471 CD2 LEU A 326 13.223 -6.627 17.051 1.00 55.74 C ATOM 472 H LEU A 326 15.903 -7.831 20.349 1.00 0.00 H ATOM 473 N ALA A 327 15.718 -10.756 19.462 1.00 56.34 N ATOM 474 CA ALA A 327 15.987 -12.181 19.448 1.00 58.97 C ATOM 475 C ALA A 327 17.058 -12.550 20.461 1.00 63.79 C ATOM 476 O ALA A 327 17.643 -11.702 21.152 1.00 65.91 O ATOM 477 CB ALA A 327 16.403 -12.621 18.065 1.00 70.07 C ATOM 478 H ALA A 327 16.425 -10.107 19.864 1.00 0.00 H ATOM 479 N GLU A 328 17.254 -13.848 20.578 1.00 66.80 N ATOM 480 CA GLU A 328 18.216 -14.378 21.502 1.00 69.55 C ATOM 481 C GLU A 328 19.623 -14.014 21.036 1.00 63.62 C ATOM 482 O GLU A 328 20.437 -13.528 21.818 1.00 67.69 O ATOM 483 CB GLU A 328 18.000 -15.892 21.632 1.00 73.97 C ATOM 484 CG GLU A 328 18.330 -16.435 23.008 1.00 78.94 C ATOM 485 CD GLU A 328 17.362 -15.970 24.073 1.00 84.31 C ATOM 486 OE1 GLU A 328 16.138 -16.229 23.943 1.00 70.79 O ATOM 487 OE2 GLU A 328 17.856 -15.386 25.068 1.00102.24 O ATOM 488 H GLU A 328 16.700 -14.502 19.989 1.00 0.00 H ATOM 489 N ARG A 329 19.916 -14.223 19.759 1.00 75.55 N ATOM 490 CA ARG A 329 21.248 -13.853 19.243 1.00 78.90 C ATOM 491 C ARG A 329 21.458 -12.344 19.297 1.00 76.17 C ATOM 492 O ARG A 329 20.509 -11.587 19.227 1.00 75.33 O ATOM 493 CB ARG A 329 21.421 -14.362 17.814 1.00 75.42 C ATOM 494 CG ARG A 329 21.006 -13.396 16.726 1.00 79.72 C ATOM 495 CD ARG A 329 20.783 -14.082 15.385 1.00 73.29 C ATOM 496 NE ARG A 329 19.364 -14.365 15.171 1.00 69.05 N ATOM 497 CZ ARG A 329 18.627 -13.903 14.166 1.00 71.74 C ATOM 498 NH1 ARG A 329 19.165 -13.123 13.244 1.00 80.11 N ATOM 499 NH2 ARG A 329 17.328 -14.224 14.079 1.00 69.47 N ATOM 500 HE ARG A 329 18.892 -14.980 15.864 1.00 0.00 H ATOM 501 HH12 ARG A 329 18.582 -12.765 12.461 1.00 0.00 H ATOM 502 HH11 ARG A 329 20.171 -12.867 13.302 1.00 0.00 H ATOM 503 HH22 ARG A 329 16.754 -13.861 13.291 1.00 0.00 H ATOM 504 HH21 ARG A 329 16.894 -14.836 14.799 1.00 0.00 H ATOM 505 H ARG A 329 19.209 -14.646 19.124 1.00 0.00 H ATOM 506 N HIS A 330 22.697 -11.909 19.409 1.00 82.08 N ATOM 507 CA HIS A 330 23.011 -10.495 19.217 1.00 86.16 C ATOM 508 C HIS A 330 22.716 -10.042 17.762 1.00 87.26 C ATOM 509 O HIS A 330 22.840 -10.823 16.820 1.00 78.93 O ATOM 510 CB HIS A 330 24.476 -10.214 19.535 1.00 83.01 C ATOM 511 CG HIS A 330 24.909 -8.832 19.159 1.00 91.82 C ATOM 512 ND1 HIS A 330 24.871 -7.775 20.047 1.00 89.09 N ATOM 513 CD2 HIS A 330 25.351 -8.323 17.982 1.00 85.33 C ATOM 514 CE1 HIS A 330 25.302 -6.682 19.443 1.00 82.37 C ATOM 515 NE2 HIS A 330 25.594 -6.986 18.190 1.00 85.91 N ATOM 516 H HIS A 330 23.459 -12.579 19.636 1.00 0.00 H ATOM 517 N VAL A 331 22.363 -8.765 17.598 1.00 78.01 N ATOM 518 CA VAL A 331 21.915 -8.224 16.325 1.00 78.61 C ATOM 519 C VAL A 331 22.507 -6.840 16.060 1.00 77.49 C ATOM 520 O VAL A 331 22.497 -5.963 16.936 1.00 89.99 O ATOM 521 CB VAL A 331 20.381 -8.133 16.331 1.00 84.42 C ATOM 522 CG1 VAL A 331 19.858 -7.218 15.242 1.00 86.22 C ATOM 523 CG2 VAL A 331 19.793 -9.517 16.164 1.00 85.14 C ATOM 524 H VAL A 331 22.411 -8.128 18.419 1.00 0.00 H ATOM 525 N GLU A 332 23.012 -6.640 14.849 1.00 70.58 N ATOM 526 CA GLU A 332 23.638 -5.352 14.480 1.00 68.70 C ATOM 527 C GLU A 332 22.607 -4.340 13.983 1.00 63.84 C ATOM 528 O GLU A 332 22.781 -3.151 14.157 1.00 56.75 O ATOM 529 CB GLU A 332 24.738 -5.528 13.417 1.00 76.17 C ATOM 530 CG GLU A 332 26.118 -5.927 13.952 1.00 86.16 C ATOM 531 CD GLU A 332 26.742 -4.880 14.900 1.00 89.88 C ATOM 532 OE1 GLU A 332 27.252 -3.850 14.451 1.00 82.91 O ATOM 533 OE2 GLU A 332 26.739 -5.071 16.123 1.00 99.62 O ATOM 534 H GLU A 332 22.967 -7.404 14.145 1.00 0.00 H ATOM 535 N VAL A 333 21.525 -4.808 13.371 1.00 61.49 N ATOM 536 CA VAL A 333 20.451 -3.921 12.920 1.00 57.26 C ATOM 537 C VAL A 333 19.107 -4.649 12.982 1.00 60.55 C ATOM 538 O VAL A 333 19.008 -5.849 12.715 1.00 56.53 O ATOM 539 CB VAL A 333 20.682 -3.417 11.446 1.00 58.59 C ATOM 540 CG1 VAL A 333 21.964 -2.641 11.352 1.00 51.68 C ATOM 541 CG2 VAL A 333 20.755 -4.577 10.451 1.00 61.16 C ATOM 542 H VAL A 333 21.438 -5.831 13.208 1.00 0.00 H ATOM 543 N PRO A 334 18.046 -3.913 13.272 1.00 62.33 N ATOM 544 CA PRO A 334 16.774 -4.604 13.414 1.00 56.37 C ATOM 545 C PRO A 334 16.346 -5.400 12.182 1.00 58.03 C ATOM 546 O PRO A 334 15.583 -6.376 12.278 1.00 60.60 O ATOM 547 CB PRO A 334 15.791 -3.453 13.674 1.00 65.80 C ATOM 548 CG PRO A 334 16.552 -2.165 13.489 1.00 65.28 C ATOM 549 CD PRO A 334 17.990 -2.489 13.654 1.00 60.97 C ATOM 550 N ASP A 335 16.768 -4.954 11.016 1.00 60.29 N ATOM 551 CA ASP A 335 16.334 -5.606 9.773 1.00 58.77 C ATOM 552 C ASP A 335 16.722 -7.049 9.730 1.00 57.75 C ATOM 553 O ASP A 335 16.104 -7.838 9.056 1.00 60.36 O ATOM 554 CB ASP A 335 16.959 -4.944 8.581 1.00 60.65 C ATOM 555 CG ASP A 335 16.775 -3.479 8.591 1.00 56.66 C ATOM 556 OD1 ASP A 335 16.010 -3.031 7.729 1.00 60.30 O ATOM 557 OD2 ASP A 335 17.361 -2.800 9.459 1.00 63.13 O ATOM 558 H ASP A 335 17.411 -4.137 10.976 1.00 0.00 H ATOM 559 N GLN A 336 17.745 -7.384 10.494 1.00 59.35 N ATOM 560 CA GLN A 336 18.158 -8.756 10.640 1.00 59.92 C ATOM 561 C GLN A 336 17.035 -9.665 11.169 1.00 65.51 C ATOM 562 O GLN A 336 17.084 -10.861 10.952 1.00 65.56 O ATOM 563 CB GLN A 336 19.382 -8.865 11.559 1.00 59.34 C ATOM 564 CG GLN A 336 20.637 -8.197 10.996 1.00 63.21 C ATOM 565 CD GLN A 336 21.842 -8.352 11.897 1.00 62.06 C ATOM 566 OE1 GLN A 336 22.283 -7.421 12.587 1.00 69.74 O ATOM 567 NE2 GLN A 336 22.354 -9.544 11.927 1.00 71.74 N ATOM 568 HE22 GLN A 336 21.954 -10.297 11.332 1.00 0.00 H ATOM 569 HE21 GLN A 336 23.165 -9.746 12.546 1.00 0.00 H ATOM 570 H GLN A 336 18.265 -6.640 11.002 1.00 0.00 H ATOM 571 N VAL A 337 16.029 -9.110 11.844 1.00 63.42 N ATOM 572 CA VAL A 337 14.956 -9.933 12.433 1.00 50.25 C ATOM 573 C VAL A 337 13.574 -9.592 11.946 1.00 53.72 C ATOM 574 O VAL A 337 12.756 -10.483 11.740 1.00 53.33 O ATOM 575 CB VAL A 337 14.921 -9.788 13.935 1.00 56.02 C ATOM 576 CG1 VAL A 337 14.040 -10.867 14.534 1.00 56.79 C ATOM 577 CG2 VAL A 337 16.324 -9.865 14.523 1.00 54.77 C ATOM 578 H VAL A 337 16.000 -8.077 11.958 1.00 0.00 H ATOM 579 N VAL A 338 13.306 -8.310 11.708 1.00 58.25 N ATOM 580 CA VAL A 338 11.980 -7.921 11.284 1.00 58.50 C ATOM 581 C VAL A 338 12.051 -6.920 10.198 1.00 57.07 C ATOM 582 O VAL A 338 13.093 -6.310 9.971 1.00 56.69 O ATOM 583 CB VAL A 338 11.169 -7.268 12.454 1.00 64.67 C ATOM 584 CG1 VAL A 338 10.825 -8.308 13.501 1.00 65.19 C ATOM 585 CG2 VAL A 338 11.924 -6.115 13.095 1.00 60.85 C ATOM 586 H VAL A 338 14.048 -7.591 11.827 1.00 0.00 H ATOM 587 N ALA A 339 10.894 -6.694 9.608 1.00 53.24 N ATOM 588 CA ALA A 339 10.726 -5.681 8.604 1.00 57.43 C ATOM 589 C ALA A 339 9.401 -4.962 8.772 1.00 54.16 C ATOM 590 O ALA A 339 8.396 -5.548 9.208 1.00 59.54 O ATOM 591 CB ALA A 339 10.805 -6.314 7.193 1.00 54.03 C ATOM 592 H ALA A 339 10.072 -7.271 9.880 1.00 0.00 H ATOM 593 N VAL A 340 9.377 -3.718 8.317 1.00 57.08 N ATOM 594 CA VAL A 340 8.168 -2.918 8.349 1.00 58.65 C ATOM 595 C VAL A 340 7.037 -3.710 7.759 1.00 54.25 C ATOM 596 O VAL A 340 7.156 -4.286 6.710 1.00 56.50 O ATOM 597 CB VAL A 340 8.323 -1.578 7.597 1.00 60.34 C ATOM 598 CG1 VAL A 340 7.008 -0.796 7.586 1.00 60.73 C ATOM 599 CG2 VAL A 340 9.385 -0.716 8.268 1.00 55.51 C ATOM 600 H VAL A 340 10.248 -3.304 7.927 1.00 0.00 H ATOM 601 N GLY A 341 5.932 -3.761 8.456 1.00 58.03 N ATOM 602 CA GLY A 341 4.801 -4.473 7.925 1.00 59.84 C ATOM 603 C GLY A 341 4.677 -5.892 8.428 1.00 55.36 C ATOM 604 O GLY A 341 3.635 -6.472 8.246 1.00 56.70 O ATOM 605 H GLY A 341 5.872 -3.293 9.383 1.00 0.00 H ATOM 606 N ASP A 342 5.717 -6.447 9.043 1.00 50.85 N ATOM 607 CA ASP A 342 5.652 -7.842 9.590 1.00 54.61 C ATOM 608 C ASP A 342 4.668 -7.891 10.743 1.00 54.83 C ATOM 609 O ASP A 342 4.571 -6.939 11.508 1.00 49.01 O ATOM 610 CB ASP A 342 7.023 -8.328 10.123 1.00 52.07 C ATOM 611 CG ASP A 342 7.993 -8.694 9.020 1.00 53.81 C ATOM 612 OD1 ASP A 342 7.542 -8.879 7.847 1.00 53.50 O ATOM 613 OD2 ASP A 342 9.217 -8.753 9.317 1.00 53.50 O ATOM 614 H ASP A 342 6.596 -5.901 9.147 1.00 0.00 H ATOM 615 N ASP A 343 3.915 -8.979 10.844 1.00 61.06 N ATOM 616 CA ASP A 343 3.047 -9.225 12.015 1.00 61.89 C ATOM 617 C ASP A 343 3.783 -9.992 13.019 1.00 59.43 C ATOM 618 O ASP A 343 4.514 -10.884 12.671 1.00 62.38 O ATOM 619 CB ASP A 343 1.828 -10.038 11.654 1.00 62.44 C ATOM 620 CG ASP A 343 0.876 -9.256 10.810 1.00 67.36 C ATOM 621 OD1 ASP A 343 0.756 -8.045 11.011 1.00 70.16 O ATOM 622 OD2 ASP A 343 0.268 -9.846 9.929 1.00 73.83 O ATOM 623 H ASP A 343 3.936 -9.680 10.076 1.00 0.00 H ATOM 624 N ALA A 344 3.565 -9.687 14.283 1.00 59.17 N ATOM 625 CA ALA A 344 4.274 -10.407 15.306 1.00 51.89 C ATOM 626 C ALA A 344 3.547 -10.444 16.648 1.00 64.98 C ATOM 627 O ALA A 344 2.640 -9.654 16.896 1.00 63.68 O ATOM 628 CB ALA A 344 5.622 -9.797 15.467 1.00 48.40 C ATOM 629 H ALA A 344 2.890 -8.937 14.536 1.00 0.00 H ATOM 630 N MET A 345 3.961 -11.375 17.511 1.00 63.76 N ATOM 631 CA MET A 345 3.420 -11.482 18.840 1.00 57.01 C ATOM 632 C MET A 345 4.503 -11.062 19.772 1.00 52.89 C ATOM 633 O MET A 345 5.547 -11.649 19.781 1.00 51.09 O ATOM 634 CB MET A 345 3.046 -12.904 19.131 1.00 54.69 C ATOM 635 CG MET A 345 2.009 -13.423 18.157 1.00 56.45 C ATOM 636 SD MET A 345 0.416 -12.660 18.326 1.00 59.93 S ATOM 637 CE MET A 345 0.116 -12.882 20.077 1.00 58.95 C ATOM 638 H MET A 345 4.699 -12.045 17.213 1.00 0.00 H ATOM 639 N VAL A 346 4.231 -10.081 20.611 1.00 51.09 N ATOM 640 CA VAL A 346 5.236 -9.599 21.497 1.00 48.80 C ATOM 641 C VAL A 346 4.707 -9.559 22.918 1.00 49.11 C ATOM 642 O VAL A 346 3.511 -9.449 23.165 1.00 54.13 O ATOM 643 CB VAL A 346 5.664 -8.163 21.088 1.00 53.04 C ATOM 644 CG1 VAL A 346 6.440 -8.187 19.785 1.00 57.29 C ATOM 645 CG2 VAL A 346 4.449 -7.258 20.943 1.00 49.54 C ATOM 646 H VAL A 346 3.281 -9.659 20.625 1.00 0.00 H ATOM 647 N LYS A 347 5.645 -9.560 23.824 1.00 43.49 N ATOM 648 CA LYS A 347 5.367 -9.476 25.161 1.00 49.66 C ATOM 649 C LYS A 347 5.486 -8.038 25.616 1.00 53.94 C ATOM 650 O LYS A 347 6.523 -7.410 25.449 1.00 50.20 O ATOM 651 CB LYS A 347 6.412 -10.282 25.914 1.00 52.26 C ATOM 652 CG LYS A 347 6.061 -10.489 27.372 1.00 57.32 C ATOM 653 CD LYS A 347 7.242 -11.063 28.127 1.00 59.50 C ATOM 654 CE LYS A 347 6.878 -11.540 29.534 1.00 59.62 C ATOM 655 NZ LYS A 347 8.090 -12.152 30.144 1.00 63.28 N ATOM 656 HZ1 LYS A 347 8.401 -12.956 29.562 1.00 0.00 H ATOM 657 HZ2 LYS A 347 8.849 -11.442 30.191 1.00 0.00 H ATOM 658 HZ3 LYS A 347 7.864 -12.484 31.103 1.00 0.00 H ATOM 659 H LYS A 347 6.637 -9.627 23.520 1.00 0.00 H ATOM 660 N VAL A 348 4.487 -7.588 26.356 1.00 53.46 N ATOM 661 CA VAL A 348 4.573 -6.326 27.079 1.00 53.16 C ATOM 662 C VAL A 348 5.456 -6.458 28.325 1.00 51.99 C ATOM 663 O VAL A 348 5.067 -7.093 29.305 1.00 55.22 O ATOM 664 CB VAL A 348 3.174 -5.883 27.545 1.00 51.91 C ATOM 665 CG1 VAL A 348 3.224 -4.518 28.177 1.00 56.19 C ATOM 666 CG2 VAL A 348 2.185 -5.883 26.399 1.00 50.43 C ATOM 667 H VAL A 348 3.615 -8.151 26.424 1.00 0.00 H ATOM 668 N ILE A 349 6.606 -5.816 28.336 1.00 50.51 N ATOM 669 CA ILE A 349 7.501 -6.019 29.450 1.00 52.50 C ATOM 670 C ILE A 349 7.625 -4.838 30.375 1.00 57.77 C ATOM 671 O ILE A 349 8.163 -4.985 31.451 1.00 56.02 O ATOM 672 CB ILE A 349 8.914 -6.430 29.013 1.00 61.84 C ATOM 673 CG1 ILE A 349 9.500 -5.472 27.984 1.00 63.48 C ATOM 674 CG2 ILE A 349 8.901 -7.825 28.445 1.00 65.70 C ATOM 675 CD1 ILE A 349 11.009 -5.628 27.874 1.00 60.60 C ATOM 676 H ILE A 349 6.864 -5.176 27.558 1.00 0.00 H ATOM 677 N ASP A 350 7.178 -3.661 29.944 1.00 66.84 N ATOM 678 CA ASP A 350 7.233 -2.469 30.793 1.00 60.15 C ATOM 679 C ASP A 350 6.381 -1.346 30.234 1.00 58.58 C ATOM 680 O ASP A 350 6.227 -1.190 29.022 1.00 59.53 O ATOM 681 CB ASP A 350 8.659 -1.956 30.977 1.00 58.05 C ATOM 682 CG ASP A 350 8.722 -0.723 31.872 1.00 66.32 C ATOM 683 OD1 ASP A 350 8.437 -0.885 33.072 1.00 62.89 O ATOM 684 OD2 ASP A 350 9.030 0.403 31.388 1.00 64.69 O ATOM 685 H ASP A 350 6.782 -3.586 28.985 1.00 0.00 H ATOM 686 N ILE A 351 5.795 -0.577 31.141 1.00 55.24 N ATOM 687 CA ILE A 351 5.001 0.562 30.744 1.00 60.92 C ATOM 688 C ILE A 351 5.383 1.739 31.579 1.00 54.72 C ATOM 689 O ILE A 351 5.223 1.723 32.755 1.00 59.65 O ATOM 690 CB ILE A 351 3.499 0.331 30.851 1.00 56.34 C ATOM 691 CG1 ILE A 351 3.119 -0.871 30.036 1.00 56.06 C ATOM 692 CG2 ILE A 351 2.769 1.533 30.266 1.00 61.15 C ATOM 693 CD1 ILE A 351 1.644 -1.198 30.073 1.00 61.97 C ATOM 694 H ILE A 351 5.909 -0.797 32.151 1.00 0.00 H ATOM 695 N ASP A 352 5.952 2.725 30.922 1.00 62.79 N ATOM 696 CA ASP A 352 6.429 3.923 31.569 1.00 59.88 C ATOM 697 C ASP A 352 5.525 5.079 31.126 1.00 54.49 C ATOM 698 O ASP A 352 5.632 5.525 29.992 1.00 41.51 O ATOM 699 CB ASP A 352 7.848 4.203 31.148 1.00 53.80 C ATOM 700 CG ASP A 352 8.374 5.369 31.824 1.00 56.58 C ATOM 701 OD1 ASP A 352 7.525 6.195 32.209 1.00 61.16 O ATOM 702 OD2 ASP A 352 9.614 5.474 32.006 1.00 57.17 O ATOM 703 H ASP A 352 6.063 2.638 29.892 1.00 0.00 H ATOM 704 N LEU A 353 4.609 5.498 32.019 1.00 51.86 N ATOM 705 CA LEU A 353 3.594 6.511 31.741 1.00 49.69 C ATOM 706 C LEU A 353 4.159 7.934 31.836 1.00 52.31 C ATOM 707 O LEU A 353 3.650 8.854 31.201 1.00 61.65 O ATOM 708 CB LEU A 353 2.442 6.368 32.686 1.00 54.24 C ATOM 709 CG LEU A 353 1.593 5.157 32.397 1.00 57.11 C ATOM 710 CD1 LEU A 353 0.444 5.016 33.370 1.00 53.40 C ATOM 711 CD2 LEU A 353 1.056 5.215 30.984 1.00 60.30 C ATOM 712 H LEU A 353 4.625 5.073 32.968 1.00 0.00 H ATOM 713 N GLU A 354 5.244 8.074 32.560 1.00 48.24 N ATOM 714 CA GLU A 354 6.008 9.318 32.623 1.00 60.84 C ATOM 715 C GLU A 354 6.694 9.608 31.288 1.00 56.64 C ATOM 716 O GLU A 354 6.535 10.689 30.733 1.00 64.94 O ATOM 717 CB GLU A 354 7.053 9.292 33.780 1.00 55.42 C ATOM 718 CG GLU A 354 6.450 8.962 35.140 1.00 59.85 C ATOM 719 CD GLU A 354 7.458 8.993 36.304 1.00 74.90 C ATOM 720 OE1 GLU A 354 7.166 8.247 37.269 1.00 72.58 O ATOM 721 OE2 GLU A 354 8.503 9.748 36.297 1.00 68.08 O ATOM 722 H GLU A 354 5.576 7.260 33.116 1.00 0.00 H ATOM 723 N ARG A 355 7.472 8.657 30.786 1.00 66.91 N ATOM 724 CA ARG A 355 8.186 8.821 29.500 1.00 63.72 C ATOM 725 C ARG A 355 7.338 8.402 28.300 1.00 57.22 C ATOM 726 O ARG A 355 7.783 8.464 27.149 1.00 70.16 O ATOM 727 CB ARG A 355 9.553 8.115 29.573 1.00 69.14 C ATOM 728 CG ARG A 355 10.496 8.918 30.464 1.00 87.64 C ATOM 729 CD ARG A 355 11.980 8.565 30.419 1.00 90.11 C ATOM 730 NE ARG A 355 12.233 7.311 31.105 1.00108.60 N ATOM 731 CZ ARG A 355 12.590 7.181 32.384 1.00110.27 C ATOM 732 NH1 ARG A 355 12.816 8.250 33.148 1.00105.93 N ATOM 733 NH2 ARG A 355 12.768 5.970 32.891 1.00113.73 N ATOM 734 HE ARG A 355 12.127 6.437 30.551 1.00 0.00 H ATOM 735 HH12 ARG A 355 13.093 8.129 34.143 1.00 0.00 H ATOM 736 HH11 ARG A 355 12.715 9.205 32.749 1.00 0.00 H ATOM 737 HH22 ARG A 355 13.046 5.859 33.887 1.00 0.00 H ATOM 738 HH21 ARG A 355 12.629 5.130 32.293 1.00 0.00 H ATOM 739 H ARG A 355 7.584 7.768 31.313 1.00 0.00 H ATOM 740 N ARG A 356 6.087 8.043 28.585 1.00 57.09 N ATOM 741 CA ARG A 356 5.141 7.515 27.603 1.00 62.63 C ATOM 742 C ARG A 356 5.771 6.528 26.609 1.00 69.48 C ATOM 743 O ARG A 356 5.665 6.715 25.383 1.00 56.87 O ATOM 744 CB ARG A 356 4.474 8.622 26.847 1.00 65.61 C ATOM 745 CG ARG A 356 4.323 9.813 27.724 1.00 69.66 C ATOM 746 CD ARG A 356 3.078 10.601 27.491 1.00 63.59 C ATOM 747 NE ARG A 356 2.897 11.520 28.622 1.00 77.23 N ATOM 748 CZ ARG A 356 2.299 12.706 28.548 1.00 79.88 C ATOM 749 NH1 ARG A 356 1.769 13.148 27.400 1.00 90.39 N ATOM 750 NH2 ARG A 356 2.227 13.456 29.638 1.00 78.13 N ATOM 751 HE ARG A 356 3.263 11.222 29.549 1.00 0.00 H ATOM 752 HH12 ARG A 356 1.306 14.079 27.365 1.00 0.00 H ATOM 753 HH11 ARG A 356 1.820 12.561 26.543 1.00 0.00 H ATOM 754 HH22 ARG A 356 1.763 14.386 29.600 1.00 0.00 H ATOM 755 HH21 ARG A 356 2.634 13.115 30.532 1.00 0.00 H ATOM 756 H ARG A 356 5.763 8.145 29.568 1.00 0.00 H ATOM 757 N ARG A 357 6.454 5.513 27.169 1.00 62.81 N ATOM 758 CA ARG A 357 6.945 4.377 26.406 1.00 67.90 C ATOM 759 C ARG A 357 6.418 3.080 26.923 1.00 63.19 C ATOM 760 O ARG A 357 6.502 2.769 28.130 1.00 63.90 O ATOM 761 CB ARG A 357 8.485 4.281 26.345 1.00 70.51 C ATOM 762 CG ARG A 357 8.914 3.278 25.264 1.00 67.46 C ATOM 763 CD ARG A 357 10.410 3.178 25.012 1.00 74.02 C ATOM 764 NE ARG A 357 11.072 4.248 24.275 1.00 66.38 N ATOM 765 CZ ARG A 357 10.518 5.096 23.425 1.00 65.99 C ATOM 766 NH1 ARG A 357 9.221 5.074 23.118 1.00 73.97 N ATOM 767 NH2 ARG A 357 11.300 6.006 22.865 1.00 62.35 N ATOM 768 HE ARG A 357 12.094 4.356 24.436 1.00 0.00 H ATOM 769 HH12 ARG A 357 8.835 5.764 22.443 1.00 0.00 H ATOM 770 HH11 ARG A 357 8.595 4.367 23.554 1.00 0.00 H ATOM 771 HH22 ARG A 357 10.901 6.691 22.191 1.00 0.00 H ATOM 772 HH21 ARG A 357 12.313 6.036 23.099 1.00 0.00 H ATOM 773 H ARG A 357 6.639 5.542 28.192 1.00 0.00 H ATOM 774 N ILE A 358 5.903 2.309 25.978 1.00 55.61 N ATOM 775 CA ILE A 358 5.594 0.909 26.201 1.00 54.55 C ATOM 776 C ILE A 358 6.736 0.081 25.637 1.00 59.91 C ATOM 777 O ILE A 358 7.002 0.168 24.433 1.00 53.25 O ATOM 778 CB ILE A 358 4.365 0.488 25.427 1.00 52.40 C ATOM 779 CG1 ILE A 358 3.153 1.226 25.926 1.00 49.52 C ATOM 780 CG2 ILE A 358 4.156 -1.012 25.559 1.00 57.20 C ATOM 781 CD1 ILE A 358 1.923 0.922 25.121 1.00 51.81 C ATOM 782 H ILE A 358 5.713 2.722 25.042 1.00 0.00 H ATOM 783 N SER A 359 7.344 -0.753 26.488 1.00 57.59 N ATOM 784 CA SER A 359 8.397 -1.675 26.068 1.00 56.65 C ATOM 785 C SER A 359 7.896 -3.044 25.696 1.00 52.25 C ATOM 786 O SER A 359 7.132 -3.663 26.421 1.00 55.21 O ATOM 787 CB SER A 359 9.469 -1.813 27.146 1.00 54.46 C ATOM 788 OG SER A 359 10.110 -0.575 27.240 1.00 53.46 O ATOM 789 HG SER A 359 9.449 0.119 27.488 1.00 0.00 H ATOM 790 H SER A 359 7.056 -0.745 27.487 1.00 0.00 H ATOM 791 N LEU A 360 8.414 -3.538 24.581 1.00 54.48 N ATOM 792 CA LEU A 360 8.002 -4.826 24.045 1.00 51.12 C ATOM 793 C LEU A 360 9.196 -5.715 23.801 1.00 49.15 C ATOM 794 O LEU A 360 10.285 -5.219 23.684 1.00 54.76 O ATOM 795 CB LEU A 360 7.278 -4.633 22.762 1.00 51.85 C ATOM 796 CG LEU A 360 6.109 -3.693 22.794 1.00 51.59 C ATOM 797 CD1 LEU A 360 5.689 -3.366 21.365 1.00 56.75 C ATOM 798 CD2 LEU A 360 4.970 -4.322 23.557 1.00 50.74 C ATOM 799 H LEU A 360 9.137 -2.988 24.074 1.00 0.00 H ATOM 800 N SER A 361 8.974 -7.035 23.816 1.00 50.68 N ATOM 801 CA SER A 361 10.014 -8.010 23.615 1.00 46.97 C ATOM 802 C SER A 361 9.511 -9.129 22.774 1.00 49.71 C ATOM 803 O SER A 361 8.487 -9.742 23.068 1.00 53.85 O ATOM 804 CB SER A 361 10.487 -8.622 24.889 1.00 50.36 C ATOM 805 OG SER A 361 11.606 -9.446 24.613 1.00 51.08 O ATOM 806 HG SER A 361 12.328 -8.898 24.216 1.00 0.00 H ATOM 807 H SER A 361 8.004 -7.372 23.981 1.00 0.00 H ATOM 808 N LEU A 362 10.237 -9.391 21.704 1.00 52.76 N ATOM 809 CA LEU A 362 9.925 -10.504 20.838 1.00 53.79 C ATOM 810 C LEU A 362 10.642 -11.723 21.403 1.00 51.70 C ATOM 811 O LEU A 362 10.043 -12.783 21.586 1.00 55.10 O ATOM 812 CB LEU A 362 10.368 -10.164 19.438 1.00 58.71 C ATOM 813 CG LEU A 362 10.059 -11.122 18.309 1.00 67.20 C ATOM 814 CD1 LEU A 362 8.579 -11.436 18.169 1.00 70.08 C ATOM 815 CD2 LEU A 362 10.594 -10.465 17.047 1.00 75.29 C ATOM 816 H LEU A 362 11.051 -8.784 21.479 1.00 0.00 H ATOM 817 N LYS A 363 11.912 -11.535 21.722 1.00 49.48 N ATOM 818 CA LYS A 363 12.707 -12.528 22.398 1.00 50.98 C ATOM 819 C LYS A 363 11.916 -13.219 23.538 1.00 57.46 C ATOM 820 O LYS A 363 11.708 -14.452 23.534 1.00 60.45 O ATOM 821 CB LYS A 363 13.946 -11.836 22.918 1.00 53.56 C ATOM 822 CG LYS A 363 14.750 -12.589 23.952 1.00 67.05 C ATOM 823 CD LYS A 363 15.914 -11.752 24.459 1.00 67.29 C ATOM 824 CE LYS A 363 16.180 -12.071 25.917 1.00 79.45 C ATOM 825 NZ LYS A 363 17.164 -11.149 26.531 1.00 87.12 N ATOM 826 HZ1 LYS A 363 18.067 -11.216 26.019 1.00 0.00 H ATOM 827 HZ2 LYS A 363 16.805 -10.174 26.477 1.00 0.00 H ATOM 828 HZ3 LYS A 363 17.309 -11.412 27.527 1.00 0.00 H ATOM 829 H LYS A 363 12.357 -10.629 21.473 1.00 0.00 H ATOM 830 N GLN A 364 11.477 -12.434 24.511 1.00 55.94 N ATOM 831 CA GLN A 364 10.818 -13.005 25.698 1.00 53.02 C ATOM 832 C GLN A 364 9.490 -13.646 25.428 1.00 53.92 C ATOM 833 O GLN A 364 9.167 -14.690 26.009 1.00 54.71 O ATOM 834 CB GLN A 364 10.622 -11.981 26.739 1.00 43.30 C ATOM 835 CG GLN A 364 11.937 -11.611 27.363 1.00 46.43 C ATOM 836 CD GLN A 364 11.733 -10.639 28.486 1.00 54.13 C ATOM 837 OE1 GLN A 364 10.833 -10.825 29.329 1.00 53.80 O ATOM 838 NE2 GLN A 364 12.505 -9.556 28.483 1.00 58.15 N ATOM 839 HE22 GLN A 364 13.243 -9.446 27.759 1.00 0.00 H ATOM 840 HE21 GLN A 364 12.371 -8.820 29.205 1.00 0.00 H ATOM 841 H GLN A 364 11.599 -11.404 24.436 1.00 0.00 H ATOM 842 N ALA A 365 8.749 -13.067 24.503 1.00 47.70 N ATOM 843 CA ALA A 365 7.555 -13.709 24.070 1.00 51.42 C ATOM 844 C ALA A 365 7.863 -15.156 23.666 1.00 58.79 C ATOM 845 O ALA A 365 7.207 -16.089 24.105 1.00 58.98 O ATOM 846 CB ALA A 365 6.957 -12.972 22.907 1.00 56.61 C ATOM 847 H ALA A 365 9.034 -12.153 24.096 1.00 0.00 H ATOM 848 N ASN A 366 8.896 -15.337 22.860 1.00 59.34 N ATOM 849 CA ASN A 366 9.266 -16.669 22.420 1.00 62.10 C ATOM 850 C ASN A 366 9.875 -17.603 23.506 1.00 61.67 C ATOM 851 O ASN A 366 9.558 -18.775 23.511 1.00 56.90 O ATOM 852 CB ASN A 366 10.174 -16.538 21.249 1.00 57.50 C ATOM 853 CG ASN A 366 9.434 -16.032 20.038 1.00 57.66 C ATOM 854 OD1 ASN A 366 8.200 -15.990 20.019 1.00 57.87 O ATOM 855 ND2 ASN A 366 10.173 -15.624 19.043 1.00 46.27 N ATOM 856 HD22 ASN A 366 11.209 -15.680 19.108 1.00 0.00 H ATOM 857 HD21 ASN A 366 9.726 -15.243 18.185 1.00 0.00 H ATOM 858 H ASN A 366 9.448 -14.517 22.539 1.00 0.00 H ATOM 859 N GLU A 367 10.705 -17.057 24.394 1.00 50.65 N ATOM 860 CA GLU A 367 11.126 -17.729 25.570 1.00 53.47 C ATOM 861 C GLU A 367 9.930 -18.256 26.365 1.00 61.93 C ATOM 862 O GLU A 367 9.990 -19.310 26.917 1.00 79.21 O ATOM 863 CB GLU A 367 11.948 -16.801 26.456 1.00 56.49 C ATOM 864 CG GLU A 367 13.356 -16.531 25.916 1.00 66.87 C ATOM 865 CD GLU A 367 14.120 -15.447 26.699 1.00 70.01 C ATOM 866 OE1 GLU A 367 13.595 -14.858 27.670 1.00 75.10 O ATOM 867 OE2 GLU A 367 15.254 -15.155 26.318 1.00 68.43 O ATOM 868 H GLU A 367 11.060 -16.096 24.217 1.00 0.00 H ATOM 869 N ASP A 368 8.833 -17.539 26.427 1.00 64.03 N ATOM 870 CA ASP A 368 7.715 -17.992 27.253 1.00 56.53 C ATOM 871 C ASP A 368 6.697 -18.809 26.489 1.00 52.51 C ATOM 872 O ASP A 368 5.663 -19.225 27.024 1.00 56.49 O ATOM 873 CB ASP A 368 6.981 -16.771 27.822 1.00 59.24 C ATOM 874 CG ASP A 368 7.874 -15.910 28.696 1.00 59.02 C ATOM 875 OD1 ASP A 368 9.062 -16.266 28.858 1.00 56.34 O ATOM 876 OD2 ASP A 368 7.363 -14.877 29.195 1.00 56.33 O ATOM 877 H ASP A 368 8.759 -16.651 25.890 1.00 0.00 H ATOM 878 N TYR A 369 6.927 -18.978 25.207 1.00 52.52 N ATOM 879 CA TYR A 369 5.999 -19.768 24.448 1.00 51.85 C ATOM 880 C TYR A 369 5.986 -21.191 24.999 1.00 53.55 C ATOM 881 O TYR A 369 6.992 -21.724 25.440 1.00 46.70 O ATOM 882 CB TYR A 369 6.398 -19.829 22.994 1.00 44.97 C ATOM 883 CG TYR A 369 5.536 -20.768 22.192 1.00 43.39 C ATOM 884 CD1 TYR A 369 4.311 -20.382 21.752 1.00 39.36 C ATOM 885 CD2 TYR A 369 5.966 -22.069 21.905 1.00 47.62 C ATOM 886 CE1 TYR A 369 3.506 -21.208 21.034 1.00 44.27 C ATOM 887 CE2 TYR A 369 5.173 -22.921 21.154 1.00 44.06 C ATOM 888 CZ TYR A 369 3.941 -22.483 20.731 1.00 49.12 C ATOM 889 OH TYR A 369 3.119 -23.304 19.978 1.00 51.46 O ATOM 890 HH TYR A 369 2.279 -22.824 19.767 1.00 0.00 H ATOM 891 H TYR A 369 7.760 -18.551 24.753 1.00 0.00 H ATOM 892 N THR A 370 4.839 -21.815 24.865 1.00 55.74 N ATOM 893 CA THR A 370 4.681 -23.151 25.281 1.00 56.51 C ATOM 894 C THR A 370 3.656 -23.744 24.322 1.00 70.93 C ATOM 895 O THR A 370 2.663 -23.100 23.986 1.00 61.70 O ATOM 896 CB THR A 370 4.272 -23.094 26.736 1.00 57.75 C ATOM 897 OG1 THR A 370 5.335 -23.635 27.545 1.00 50.34 O ATOM 898 CG2 THR A 370 2.931 -23.670 26.997 1.00 49.94 C ATOM 899 HG1 THR A 370 6.157 -23.101 27.408 1.00 0.00 H ATOM 900 H THR A 370 4.031 -21.313 24.444 1.00 0.00 H ATOM 901 N GLU A 371 3.918 -24.947 23.830 1.00 70.32 N ATOM 902 CA GLU A 371 2.983 -25.556 22.919 1.00 62.77 C ATOM 903 C GLU A 371 1.634 -25.679 23.575 1.00 60.34 C ATOM 904 O GLU A 371 0.570 -25.526 22.946 1.00 51.34 O ATOM 905 CB GLU A 371 3.511 -26.908 22.541 1.00 77.91 C ATOM 906 CG GLU A 371 2.518 -27.786 21.817 1.00 81.43 C ATOM 907 CD GLU A 371 3.210 -28.993 21.231 1.00 94.77 C ATOM 908 OE1 GLU A 371 4.482 -29.017 21.199 1.00 78.59 O ATOM 909 OE2 GLU A 371 2.467 -29.906 20.818 1.00 99.21 O ATOM 910 H GLU A 371 4.790 -25.446 24.099 1.00 0.00 H ATOM 911 N GLU A 372 1.676 -25.945 24.868 1.00 54.34 N ATOM 912 CA GLU A 372 0.456 -25.985 25.640 1.00 58.15 C ATOM 913 C GLU A 372 -0.084 -24.570 25.898 1.00 55.33 C ATOM 914 O GLU A 372 0.665 -23.656 26.244 1.00 53.25 O ATOM 915 CB GLU A 372 0.696 -26.722 26.962 1.00 66.40 C ATOM 916 CG GLU A 372 1.267 -28.140 26.799 1.00 67.33 C ATOM 917 CD GLU A 372 2.790 -28.212 26.914 1.00 69.34 C ATOM 918 OE1 GLU A 372 3.471 -27.177 26.793 1.00 64.60 O ATOM 919 OE2 GLU A 372 3.319 -29.321 27.128 1.00 73.47 O ATOM 920 H GLU A 372 2.589 -26.126 25.331 1.00 0.00 H ATOM 921 N PHE A 373 -1.400 -24.416 25.768 1.00 52.52 N ATOM 922 CA PHE A 373 -2.050 -23.121 25.845 1.00 53.80 C ATOM 923 C PHE A 373 -2.210 -22.586 27.252 1.00 54.15 C ATOM 924 O PHE A 373 -2.882 -23.194 28.060 1.00 59.07 O ATOM 925 CB PHE A 373 -3.400 -23.239 25.209 1.00 53.08 C ATOM 926 CG PHE A 373 -4.179 -21.959 25.140 1.00 57.20 C ATOM 927 CD1 PHE A 373 -3.563 -20.747 25.028 1.00 56.39 C ATOM 928 CD2 PHE A 373 -5.573 -21.990 25.119 1.00 50.05 C ATOM 929 CE1 PHE A 373 -4.314 -19.583 24.919 1.00 55.97 C ATOM 930 CE2 PHE A 373 -6.308 -20.840 24.991 1.00 50.60 C ATOM 931 CZ PHE A 373 -5.676 -19.618 24.902 1.00 46.97 C ATOM 932 H PHE A 373 -1.987 -25.259 25.604 1.00 0.00 H ATOM 933 N ASP A 374 -1.564 -21.458 27.554 1.00 61.52 N ATOM 934 CA ASP A 374 -1.766 -20.765 28.848 1.00 53.55 C ATOM 935 C ASP A 374 -2.578 -19.499 28.650 1.00 52.39 C ATOM 936 O ASP A 374 -2.039 -18.459 28.331 1.00 64.56 O ATOM 937 CB ASP A 374 -0.444 -20.386 29.494 1.00 48.26 C ATOM 938 CG ASP A 374 -0.654 -19.794 30.848 1.00 51.34 C ATOM 939 OD1 ASP A 374 -1.845 -19.674 31.173 1.00 44.83 O ATOM 940 OD2 ASP A 374 0.346 -19.474 31.586 1.00 49.20 O ATOM 941 H ASP A 374 -0.901 -21.054 26.862 1.00 0.00 H ATOM 942 N PRO A 375 -3.874 -19.556 28.876 1.00 53.92 N ATOM 943 CA PRO A 375 -4.663 -18.361 28.603 1.00 54.55 C ATOM 944 C PRO A 375 -4.264 -17.092 29.403 1.00 54.49 C ATOM 945 O PRO A 375 -4.471 -15.955 28.956 1.00 56.78 O ATOM 946 CB PRO A 375 -6.073 -18.798 28.975 1.00 58.55 C ATOM 947 CG PRO A 375 -6.077 -20.280 28.828 1.00 50.60 C ATOM 948 CD PRO A 375 -4.719 -20.682 29.316 1.00 51.42 C ATOM 949 N ALA A 376 -3.653 -17.288 30.544 1.00 48.66 N ATOM 950 CA ALA A 376 -3.157 -16.169 31.317 1.00 55.92 C ATOM 951 C ALA A 376 -2.252 -15.254 30.520 1.00 55.17 C ATOM 952 O ALA A 376 -2.178 -14.078 30.816 1.00 63.70 O ATOM 953 CB ALA A 376 -2.403 -16.662 32.572 1.00 53.42 C ATOM 954 H ALA A 376 -3.523 -18.257 30.899 1.00 0.00 H ATOM 955 N LYS A 377 -1.502 -15.801 29.572 1.00 58.25 N ATOM 956 CA LYS A 377 -0.488 -15.006 28.890 1.00 53.94 C ATOM 957 C LYS A 377 -1.035 -14.339 27.620 1.00 48.26 C ATOM 958 O LYS A 377 -0.370 -13.560 27.017 1.00 52.99 O ATOM 959 CB LYS A 377 0.677 -15.882 28.512 1.00 56.63 C ATOM 960 CG LYS A 377 1.416 -16.553 29.654 1.00 56.29 C ATOM 961 CD LYS A 377 2.666 -17.228 29.100 1.00 48.98 C ATOM 962 CE LYS A 377 3.476 -17.988 30.140 1.00 54.82 C ATOM 963 NZ LYS A 377 2.829 -19.282 30.434 1.00 62.25 N ATOM 964 HZ1 LYS A 377 1.871 -19.114 30.801 1.00 0.00 H ATOM 965 HZ2 LYS A 377 2.773 -19.846 29.562 1.00 0.00 H ATOM 966 HZ3 LYS A 377 3.389 -19.794 31.145 1.00 0.00 H ATOM 967 H LYS A 377 -1.638 -16.799 29.315 1.00 0.00 H ATOM 968 N TYR A 378 -2.257 -14.629 27.246 1.00 49.45 N ATOM 969 CA TYR A 378 -2.830 -14.093 26.034 1.00 54.85 C ATOM 970 C TYR A 378 -4.135 -13.338 26.265 1.00 55.11 C ATOM 971 O TYR A 378 -4.900 -13.186 25.332 1.00 52.73 O ATOM 972 CB TYR A 378 -3.071 -15.218 25.019 1.00 56.13 C ATOM 973 CG TYR A 378 -1.804 -15.889 24.638 1.00 62.02 C ATOM 974 CD1 TYR A 378 -1.034 -15.405 23.601 1.00 65.40 C ATOM 975 CD2 TYR A 378 -1.328 -16.974 25.359 1.00 64.82 C ATOM 976 CE1 TYR A 378 0.159 -16.026 23.261 1.00 68.25 C ATOM 977 CE2 TYR A 378 -0.126 -17.584 25.049 1.00 59.11 C ATOM 978 CZ TYR A 378 0.605 -17.131 23.983 1.00 63.14 C ATOM 979 OH TYR A 378 1.812 -17.736 23.666 1.00 51.21 O ATOM 980 HH TYR A 378 2.206 -17.289 22.875 1.00 0.00 H ATOM 981 H TYR A 378 -2.830 -15.263 27.839 1.00 0.00 H ATOM 982 N GLY A 379 -4.369 -12.801 27.464 1.00 61.78 N ATOM 983 CA GLY A 379 -5.540 -11.914 27.656 1.00 61.67 C ATOM 984 C GLY A 379 -6.545 -12.317 28.715 1.00 60.44 C ATOM 985 O GLY A 379 -7.502 -11.623 28.902 1.00 60.93 O ATOM 986 H GLY A 379 -3.732 -13.004 28.260 1.00 0.00 H ATOM 987 N MET A 380 -6.296 -13.426 29.412 1.00 58.08 N ATOM 988 CA MET A 380 -7.182 -13.916 30.421 1.00 58.17 C ATOM 989 C MET A 380 -6.506 -14.027 31.786 1.00 55.12 C ATOM 990 O MET A 380 -6.909 -14.847 32.605 1.00 53.92 O ATOM 991 CB MET A 380 -7.696 -15.301 30.072 1.00 61.01 C ATOM 992 CG MET A 380 -8.106 -15.521 28.653 1.00 67.86 C ATOM 993 SD MET A 380 -9.830 -15.263 28.290 1.00 70.44 S ATOM 994 CE MET A 380 -10.704 -16.079 29.631 1.00 77.09 C ATOM 995 H MET A 380 -5.423 -13.955 29.214 1.00 0.00 H ATOM 996 N ALA A 381 -5.514 -13.205 32.059 1.00 54.78 N ATOM 997 CA ALA A 381 -4.887 -13.240 33.382 1.00 53.36 C ATOM 998 C ALA A 381 -5.857 -13.029 34.533 1.00 57.27 C ATOM 999 O ALA A 381 -5.614 -13.479 35.656 1.00 58.98 O ATOM 1000 CB ALA A 381 -3.768 -12.246 33.470 1.00 52.31 C ATOM 1001 H ALA A 381 -5.178 -12.534 31.339 1.00 0.00 H ATOM 1002 N ASP A 382 -6.979 -12.390 34.281 1.00 57.17 N ATOM 1003 CA ASP A 382 -7.888 -12.111 35.397 1.00 63.95 C ATOM 1004 C ASP A 382 -8.758 -13.314 35.735 1.00 60.50 C ATOM 1005 O ASP A 382 -9.597 -13.254 36.626 1.00 60.73 O ATOM 1006 CB ASP A 382 -8.758 -10.861 35.128 1.00 64.54 C ATOM 1007 CG ASP A 382 -9.507 -10.936 33.801 1.00 77.54 C ATOM 1008 OD1 ASP A 382 -9.237 -11.839 32.954 1.00 87.11 O ATOM 1009 OD2 ASP A 382 -10.341 -10.044 33.574 1.00 92.63 O ATOM 1010 H ASP A 382 -7.215 -12.090 33.314 1.00 0.00 H ATOM 1011 N SER A 383 -8.588 -14.397 35.003 1.00 58.78 N ATOM 1012 CA SER A 383 -9.235 -15.629 35.378 1.00 55.38 C ATOM 1013 C SER A 383 -8.351 -16.465 36.313 1.00 53.20 C ATOM 1014 O SER A 383 -8.657 -17.602 36.545 1.00 62.65 O ATOM 1015 CB SER A 383 -9.604 -16.426 34.136 1.00 59.96 C ATOM 1016 OG SER A 383 -10.460 -15.690 33.278 1.00 62.76 O ATOM 1017 HG SER A 383 -10.679 -16.238 32.483 1.00 0.00 H ATOM 1018 H SER A 383 -7.987 -14.362 34.155 1.00 0.00 H ATOM 1019 N TYR A 384 -7.277 -15.893 36.850 1.00 53.98 N ATOM 1020 CA TYR A 384 -6.401 -16.586 37.767 1.00 63.02 C ATOM 1021 C TYR A 384 -6.128 -15.748 39.017 1.00 61.39 C ATOM 1022 O TYR A 384 -5.894 -14.585 38.923 1.00 64.94 O ATOM 1023 CB TYR A 384 -5.084 -16.966 37.055 1.00 64.44 C ATOM 1024 CG TYR A 384 -5.388 -17.747 35.833 1.00 62.13 C ATOM 1025 CD1 TYR A 384 -5.710 -17.121 34.658 1.00 64.85 C ATOM 1026 CD2 TYR A 384 -5.457 -19.099 35.877 1.00 58.09 C ATOM 1027 CE1 TYR A 384 -6.072 -17.845 33.539 1.00 57.27 C ATOM 1028 CE2 TYR A 384 -5.821 -19.830 34.771 1.00 64.55 C ATOM 1029 CZ TYR A 384 -6.120 -19.195 33.588 1.00 55.49 C ATOM 1030 OH TYR A 384 -6.458 -19.949 32.457 1.00 55.02 O ATOM 1031 HH TYR A 384 -6.642 -19.340 31.699 1.00 0.00 H ATOM 1032 H TYR A 384 -7.059 -14.907 36.600 1.00 0.00 H ATOM 1033 N ASP A 385 -6.125 -16.375 40.186 1.00 74.90 N ATOM 1034 CA ASP A 385 -5.898 -15.662 41.439 1.00 71.29 C ATOM 1035 C ASP A 385 -4.414 -15.567 41.721 1.00 76.99 C ATOM 1036 O ASP A 385 -3.591 -15.822 40.855 1.00 87.28 O ATOM 1037 CB ASP A 385 -6.659 -16.330 42.588 1.00 72.86 C ATOM 1038 CG ASP A 385 -6.091 -17.674 42.967 1.00 75.86 C ATOM 1039 OD1 ASP A 385 -4.878 -17.933 42.806 1.00 84.23 O ATOM 1040 OD2 ASP A 385 -6.884 -18.494 43.418 1.00 70.70 O ATOM 1041 H ASP A 385 -6.289 -17.402 40.210 1.00 0.00 H ATOM 1042 N GLU A 386 -4.073 -15.172 42.937 1.00 91.00 N ATOM 1043 CA GLU A 386 -2.693 -14.887 43.288 1.00 94.72 C ATOM 1044 C GLU A 386 -1.830 -16.140 43.321 1.00 90.30 C ATOM 1045 O GLU A 386 -0.648 -16.114 42.976 1.00 75.75 O ATOM 1046 CB GLU A 386 -2.644 -14.145 44.637 1.00105.64 C ATOM 1047 CG GLU A 386 -2.921 -12.640 44.504 1.00108.89 C ATOM 1048 CD GLU A 386 -1.834 -11.904 43.727 1.00116.23 C ATOM 1049 OE1 GLU A 386 -2.146 -11.392 42.632 1.00121.79 O ATOM 1050 OE2 GLU A 386 -0.667 -11.860 44.184 1.00112.63 O ATOM 1051 H GLU A 386 -4.812 -15.063 43.660 1.00 0.00 H ATOM 1052 N GLN A 387 -2.441 -17.242 43.726 1.00 94.25 N ATOM 1053 CA GLN A 387 -1.785 -18.543 43.707 1.00 94.59 C ATOM 1054 C GLN A 387 -1.603 -19.075 42.263 1.00 90.98 C ATOM 1055 O GLN A 387 -0.680 -19.833 41.992 1.00 74.26 O ATOM 1056 CB GLN A 387 -2.597 -19.539 44.542 1.00107.40 C ATOM 1057 CG GLN A 387 -2.562 -19.239 46.037 1.00114.82 C ATOM 1058 CD GLN A 387 -3.476 -18.087 46.426 1.00117.87 C ATOM 1059 OE1 GLN A 387 -3.057 -16.923 46.421 1.00128.18 O ATOM 1060 NE2 GLN A 387 -4.735 -18.397 46.744 1.00103.41 N ATOM 1061 HE22 GLN A 387 -5.044 -19.390 46.735 1.00 0.00 H ATOM 1062 HE21 GLN A 387 -5.407 -17.646 47.001 1.00 0.00 H ATOM 1063 H GLN A 387 -3.421 -17.177 44.069 1.00 0.00 H ATOM 1064 N GLY A 388 -2.459 -18.636 41.341 1.00 86.13 N ATOM 1065 CA GLY A 388 -2.536 -19.207 39.997 1.00 83.76 C ATOM 1066 C GLY A 388 -3.734 -20.127 39.796 1.00 73.43 C ATOM 1067 O GLY A 388 -3.908 -20.693 38.743 1.00 71.01 O ATOM 1068 H GLY A 388 -3.099 -17.854 41.588 1.00 0.00 H ATOM 1069 N ASN A 389 -4.557 -20.292 40.809 1.00 61.79 N ATOM 1070 CA ASN A 389 -5.772 -21.067 40.646 1.00 64.80 C ATOM 1071 C ASN A 389 -6.754 -20.350 39.745 1.00 62.38 C ATOM 1072 O ASN A 389 -6.834 -19.128 39.742 1.00 59.79 O ATOM 1073 CB ASN A 389 -6.399 -21.405 42.012 1.00 70.18 C ATOM 1074 CG ASN A 389 -5.490 -22.304 42.863 1.00 70.51 C ATOM 1075 OD1 ASN A 389 -4.883 -21.854 43.830 1.00 77.10 O ATOM 1076 ND2 ASN A 389 -5.345 -23.558 42.452 1.00 71.22 N ATOM 1077 HD22 ASN A 389 -5.879 -23.900 41.627 1.00 0.00 H ATOM 1078 HD21 ASN A 389 -4.698 -24.198 42.955 1.00 0.00 H ATOM 1079 H ASN A 389 -4.335 -19.865 41.731 1.00 0.00 H ATOM 1080 N TYR A 390 -7.470 -21.138 38.955 1.00 56.17 N ATOM 1081 CA TYR A 390 -8.445 -20.651 37.993 1.00 58.10 C ATOM 1082 C TYR A 390 -9.681 -20.137 38.708 1.00 62.49 C ATOM 1083 O TYR A 390 -10.090 -20.706 39.688 1.00 64.83 O ATOM 1084 CB TYR A 390 -8.855 -21.795 37.070 1.00 53.51 C ATOM 1085 CG TYR A 390 -9.863 -21.439 36.015 1.00 58.49 C ATOM 1086 CD1 TYR A 390 -9.558 -20.524 34.978 1.00 63.53 C ATOM 1087 CD2 TYR A 390 -11.098 -22.033 35.986 1.00 56.50 C ATOM 1088 CE1 TYR A 390 -10.497 -20.193 33.988 1.00 51.82 C ATOM 1089 CE2 TYR A 390 -12.025 -21.708 34.995 1.00 60.99 C ATOM 1090 CZ TYR A 390 -11.724 -20.792 34.005 1.00 55.48 C ATOM 1091 OH TYR A 390 -12.674 -20.522 33.031 1.00 70.46 O ATOM 1092 HH TYR A 390 -12.891 -21.356 32.543 1.00 0.00 H ATOM 1093 H TYR A 390 -7.326 -22.165 39.028 1.00 0.00 H ATOM 1094 N ILE A 391 -10.289 -19.083 38.189 1.00 65.05 N ATOM 1095 CA ILE A 391 -11.497 -18.555 38.752 1.00 60.63 C ATOM 1096 C ILE A 391 -12.619 -18.796 37.793 1.00 59.07 C ATOM 1097 O ILE A 391 -12.620 -18.301 36.694 1.00 63.63 O ATOM 1098 CB ILE A 391 -11.391 -17.049 39.009 1.00 64.34 C ATOM 1099 CG1 ILE A 391 -10.348 -16.784 40.077 1.00 68.04 C ATOM 1100 CG2 ILE A 391 -12.731 -16.482 39.470 1.00 69.86 C ATOM 1101 CD1 ILE A 391 -9.688 -15.423 39.980 1.00 75.53 C ATOM 1102 H ILE A 391 -9.880 -18.625 37.350 1.00 0.00 H ATOM 1103 N PHE A 392 -13.612 -19.536 38.229 1.00 67.89 N ATOM 1104 CA PHE A 392 -14.762 -19.737 37.377 1.00 65.30 C ATOM 1105 C PHE A 392 -15.492 -18.415 37.242 1.00 65.78 C ATOM 1106 O PHE A 392 -15.788 -17.772 38.219 1.00 81.17 O ATOM 1107 CB PHE A 392 -15.636 -20.834 37.937 1.00 66.37 C ATOM 1108 CG PHE A 392 -15.078 -22.208 37.695 1.00 62.52 C ATOM 1109 CD1 PHE A 392 -15.233 -22.817 36.454 1.00 66.77 C ATOM 1110 CD2 PHE A 392 -14.368 -22.875 38.680 1.00 65.45 C ATOM 1111 CE1 PHE A 392 -14.705 -24.091 36.202 1.00 67.45 C ATOM 1112 CE2 PHE A 392 -13.819 -24.139 38.438 1.00 75.02 C ATOM 1113 CZ PHE A 392 -14.002 -24.752 37.198 1.00 71.76 C ATOM 1114 H PHE A 392 -13.572 -19.971 39.173 1.00 0.00 H ATOM 1115 N PRO A 393 -15.769 -17.990 36.015 1.00 73.51 N ATOM 1116 CA PRO A 393 -16.413 -16.686 35.876 1.00 77.00 C ATOM 1117 C PRO A 393 -17.830 -16.610 36.432 1.00 86.40 C ATOM 1118 O PRO A 393 -18.551 -17.615 36.483 1.00 95.44 O ATOM 1119 CB PRO A 393 -16.471 -16.482 34.352 1.00 76.28 C ATOM 1120 CG PRO A 393 -16.459 -17.861 33.787 1.00 74.34 C ATOM 1121 CD PRO A 393 -15.649 -18.705 34.727 1.00 69.30 C ATOM 1122 N GLU A 394 -18.229 -15.395 36.789 1.00 94.02 N ATOM 1123 CA GLU A 394 -19.592 -15.109 37.199 1.00 92.71 C ATOM 1124 C GLU A 394 -20.615 -15.567 36.133 1.00 90.52 C ATOM 1125 O GLU A 394 -20.602 -15.081 34.988 1.00 78.78 O ATOM 1126 CB GLU A 394 -19.752 -13.609 37.478 1.00 93.56 C ATOM 1127 CG GLU A 394 -20.343 -13.299 38.846 1.00105.11 C ATOM 1128 CD GLU A 394 -21.203 -12.037 38.856 1.00115.93 C ATOM 1129 OE1 GLU A 394 -20.994 -11.142 37.997 1.00111.90 O ATOM 1130 OE2 GLU A 394 -22.099 -11.943 39.733 1.00108.36 O ATOM 1131 H GLU A 394 -17.538 -14.618 36.774 1.00 0.00 H ATOM 1132 N GLY A 395 -21.485 -16.507 36.526 1.00 76.26 N ATOM 1133 CA GLY A 395 -22.512 -17.061 35.639 1.00 73.97 C ATOM 1134 C GLY A 395 -22.290 -18.498 35.202 1.00 79.25 C ATOM 1135 O GLY A 395 -23.196 -19.146 34.646 1.00 74.40 O ATOM 1136 H GLY A 395 -21.429 -16.859 37.503 1.00 0.00 H ATOM 1137 N PHE A 396 -21.085 -19.011 35.435 1.00 84.79 N ATOM 1138 CA PHE A 396 -20.789 -20.401 35.083 1.00 86.29 C ATOM 1139 C PHE A 396 -20.825 -21.258 36.338 1.00 81.80 C ATOM 1140 O PHE A 396 -20.258 -20.883 37.369 1.00 77.11 O ATOM 1141 CB PHE A 396 -19.426 -20.494 34.430 1.00 82.46 C ATOM 1142 CG PHE A 396 -19.172 -21.797 33.756 1.00 81.28 C ATOM 1143 CD1 PHE A 396 -18.520 -22.824 34.423 1.00 83.22 C ATOM 1144 CD2 PHE A 396 -19.544 -21.981 32.436 1.00 79.98 C ATOM 1145 CE1 PHE A 396 -18.270 -24.026 33.789 1.00 79.59 C ATOM 1146 CE2 PHE A 396 -19.292 -23.166 31.788 1.00 75.21 C ATOM 1147 CZ PHE A 396 -18.659 -24.196 32.467 1.00 81.03 C ATOM 1148 H PHE A 396 -20.348 -18.420 35.870 1.00 0.00 H ATOM 1149 N ASP A 397 -21.493 -22.399 36.245 1.00 83.30 N ATOM 1150 CA ASP A 397 -21.626 -23.312 37.394 1.00 81.56 C ATOM 1151 C ASP A 397 -20.594 -24.405 37.279 1.00 75.72 C ATOM 1152 O ASP A 397 -20.673 -25.236 36.380 1.00 76.18 O ATOM 1153 CB ASP A 397 -23.035 -23.934 37.454 1.00 83.84 C ATOM 1154 CG ASP A 397 -23.348 -24.537 38.798 1.00 75.82 C ATOM 1155 OD1 ASP A 397 -23.477 -25.764 38.880 1.00 78.24 O ATOM 1156 OD2 ASP A 397 -23.474 -23.782 39.771 1.00 80.51 O ATOM 1157 H ASP A 397 -21.934 -22.656 35.339 1.00 0.00 H ATOM 1158 N ALA A 398 -19.622 -24.389 38.183 1.00 76.04 N ATOM 1159 CA ALA A 398 -18.513 -25.346 38.161 1.00 74.77 C ATOM 1160 C ALA A 398 -19.033 -26.729 38.464 1.00 84.85 C ATOM 1161 O ALA A 398 -18.564 -27.720 37.899 1.00 78.00 O ATOM 1162 CB ALA A 398 -17.454 -24.958 39.188 1.00 82.74 C ATOM 1163 H ALA A 398 -19.649 -23.671 38.935 1.00 0.00 H ATOM 1164 N GLU A 399 -20.015 -26.764 39.365 1.00 93.63 N ATOM 1165 CA GLU A 399 -20.617 -27.998 39.806 1.00104.12 C ATOM 1166 C GLU A 399 -21.340 -28.625 38.625 1.00 93.73 C ATOM 1167 O GLU A 399 -21.101 -29.762 38.295 1.00 94.30 O ATOM 1168 CB GLU A 399 -21.555 -27.738 41.009 1.00112.65 C ATOM 1169 CG GLU A 399 -22.529 -28.858 41.362 1.00122.27 C ATOM 1170 CD GLU A 399 -21.828 -30.194 41.566 1.00145.92 C ATOM 1171 OE1 GLU A 399 -22.521 -31.197 41.822 1.00159.20 O ATOM 1172 OE2 GLU A 399 -20.580 -30.253 41.482 1.00150.41 O ATOM 1173 H GLU A 399 -20.360 -25.868 39.765 1.00 0.00 H ATOM 1174 N THR A 400 -22.218 -27.856 37.999 1.00 93.35 N ATOM 1175 CA THR A 400 -23.029 -28.319 36.869 1.00 90.77 C ATOM 1176 C THR A 400 -22.172 -28.398 35.624 1.00 99.53 C ATOM 1177 O THR A 400 -22.484 -29.127 34.690 1.00 92.21 O ATOM 1178 CB THR A 400 -24.229 -27.342 36.632 1.00 98.04 C ATOM 1179 OG1 THR A 400 -25.461 -28.041 36.761 1.00104.33 O ATOM 1180 CG2 THR A 400 -24.218 -26.693 35.296 1.00 99.16 C ATOM 1181 HG1 THR A 400 -26.212 -27.414 36.609 1.00 0.00 H ATOM 1182 H THR A 400 -22.338 -26.876 38.325 1.00 0.00 H ATOM 1183 N ASN A 401 -21.109 -27.594 35.610 1.00107.45 N ATOM 1184 CA ASN A 401 -20.271 -27.360 34.432 1.00103.11 C ATOM 1185 C ASN A 401 -21.035 -26.815 33.214 1.00101.67 C ATOM 1186 O ASN A 401 -20.828 -27.246 32.082 1.00 93.44 O ATOM 1187 CB ASN A 401 -19.467 -28.613 34.076 1.00112.95 C ATOM 1188 CG ASN A 401 -18.316 -28.316 33.126 1.00104.47 C ATOM 1189 OD1 ASN A 401 -17.930 -27.167 32.925 1.00 96.77 O ATOM 1190 ND2 ASN A 401 -17.780 -29.355 32.524 1.00104.85 N ATOM 1191 HD22 ASN A 401 -18.136 -30.312 32.722 1.00 0.00 H ATOM 1192 HD21 ASN A 401 -17.000 -29.220 31.850 1.00 0.00 H ATOM 1193 H ASN A 401 -20.859 -27.102 36.491 1.00 0.00 H ATOM 1194 N GLU A 402 -21.888 -25.831 33.463 1.00107.37 N ATOM 1195 CA GLU A 402 -22.722 -25.214 32.414 1.00108.61 C ATOM 1196 C GLU A 402 -22.955 -23.764 32.784 1.00109.97 C ATOM 1197 O GLU A 402 -22.877 -23.375 33.960 1.00106.35 O ATOM 1198 CB GLU A 402 -24.097 -25.881 32.245 1.00109.70 C ATOM 1199 CG GLU A 402 -24.109 -27.317 31.772 1.00110.38 C ATOM 1200 CD GLU A 402 -24.233 -27.465 30.275 1.00108.37 C ATOM 1201 OE1 GLU A 402 -24.320 -28.630 29.821 1.00101.59 O ATOM 1202 OE2 GLU A 402 -24.272 -26.436 29.565 1.00102.91 O ATOM 1203 H GLU A 402 -21.973 -25.480 34.438 1.00 0.00 H ATOM 1204 N TRP A 403 -23.246 -22.967 31.769 1.00105.88 N ATOM 1205 CA TRP A 403 -23.576 -21.566 31.975 1.00105.84 C ATOM 1206 C TRP A 403 -24.979 -21.444 32.548 1.00109.18 C ATOM 1207 O TRP A 403 -25.855 -22.226 32.194 1.00110.43 O ATOM 1208 CB TRP A 403 -23.485 -20.808 30.657 1.00100.96 C ATOM 1209 CG TRP A 403 -22.112 -20.369 30.374 1.00 89.59 C ATOM 1210 CD1 TRP A 403 -21.217 -20.955 29.538 1.00 90.63 C ATOM 1211 CD2 TRP A 403 -21.445 -19.235 30.951 1.00 83.49 C ATOM 1212 NE1 TRP A 403 -20.031 -20.248 29.548 1.00 88.40 N ATOM 1213 CE2 TRP A 403 -20.150 -19.193 30.411 1.00 78.97 C ATOM 1214 CE3 TRP A 403 -21.820 -18.257 31.877 1.00 82.07 C ATOM 1215 CZ2 TRP A 403 -19.236 -18.220 30.761 1.00 77.78 C ATOM 1216 CZ3 TRP A 403 -20.907 -17.291 32.235 1.00 72.13 C ATOM 1217 CH2 TRP A 403 -19.638 -17.270 31.672 1.00 81.26 C ATOM 1218 HE1 TRP A 403 -19.185 -20.480 28.990 1.00 0.00 H ATOM 1219 H TRP A 403 -23.239 -23.351 30.803 1.00 0.00 H ATOM 1220 N LEU A 404 -25.185 -20.481 33.443 1.00 98.98 N ATOM 1221 CA LEU A 404 -26.503 -20.268 34.049 1.00 96.40 C ATOM 1222 C LEU A 404 -27.385 -19.388 33.166 1.00 99.55 C ATOM 1223 O LEU A 404 -26.974 -18.310 32.727 1.00101.96 O ATOM 1224 CB LEU A 404 -26.387 -19.680 35.471 1.00 95.89 C ATOM 1225 CG LEU A 404 -25.775 -20.616 36.540 1.00 91.95 C ATOM 1226 CD1 LEU A 404 -25.662 -19.952 37.907 1.00 84.11 C ATOM 1227 CD2 LEU A 404 -26.516 -21.953 36.646 1.00 87.11 C ATOM 1228 H LEU A 404 -24.393 -19.866 33.719 1.00 0.00 H ATOM 1229 N GLU A 405 -28.602 -19.874 32.926 1.00110.14 N ATOM 1230 CA GLU A 405 -29.586 -19.214 32.084 1.00118.66 C ATOM 1231 C GLU A 405 -29.932 -17.830 32.663 1.00108.02 C ATOM 1232 O GLU A 405 -30.151 -17.681 33.862 1.00 89.11 O ATOM 1233 CB GLU A 405 -30.836 -20.097 31.981 1.00131.27 C ATOM 1234 CG GLU A 405 -31.310 -20.326 30.557 1.00136.43 C ATOM 1235 CD GLU A 405 -32.495 -21.259 30.486 1.00139.75 C ATOM 1236 OE1 GLU A 405 -33.589 -20.788 30.847 1.00139.06 O ATOM 1237 OE2 GLU A 405 -32.339 -22.436 30.081 1.00127.99 O ATOM 1238 H GLU A 405 -28.863 -20.779 33.367 1.00 0.00 H ATOM 1239 N GLY A 406 -29.951 -16.832 31.784 1.00113.57 N ATOM 1240 CA GLY A 406 -30.078 -15.424 32.142 1.00111.09 C ATOM 1241 C GLY A 406 -28.727 -14.749 32.177 1.00108.61 C ATOM 1242 O GLY A 406 -28.649 -13.559 32.445 1.00102.15 O ATOM 1243 H GLY A 406 -29.870 -17.071 30.775 1.00 0.00 H ATOM 1244 N PHE A 407 -27.659 -15.491 31.887 1.00115.10 N ATOM 1245 CA PHE A 407 -26.323 -14.920 31.905 1.00115.20 C ATOM 1246 C PHE A 407 -25.741 -14.834 30.515 1.00126.64 C ATOM 1247 O PHE A 407 -24.520 -14.730 30.340 1.00137.23 O ATOM 1248 CB PHE A 407 -25.411 -15.731 32.796 1.00104.08 C ATOM 1249 CG PHE A 407 -25.534 -15.380 34.230 1.00103.11 C ATOM 1250 CD1 PHE A 407 -24.750 -14.356 34.768 1.00101.68 C ATOM 1251 CD2 PHE A 407 -26.444 -16.038 35.046 1.00104.73 C ATOM 1252 CE1 PHE A 407 -24.849 -14.018 36.109 1.00 99.19 C ATOM 1253 CE2 PHE A 407 -26.549 -15.704 36.388 1.00 99.37 C ATOM 1254 CZ PHE A 407 -25.750 -14.697 36.921 1.00 96.66 C ATOM 1255 H PHE A 407 -27.784 -16.495 31.644 1.00 0.00 H ATOM 1256 N GLU A 408 -26.618 -14.815 29.526 1.00129.37 N ATOM 1257 CA GLU A 408 -26.185 -14.943 28.144 1.00127.69 C ATOM 1258 C GLU A 408 -25.189 -13.860 27.724 1.00115.47 C ATOM 1259 O GLU A 408 -24.305 -14.127 26.900 1.00 98.97 O ATOM 1260 CB GLU A 408 -27.398 -14.958 27.219 1.00133.37 C ATOM 1261 CG GLU A 408 -28.345 -16.124 27.486 1.00137.61 C ATOM 1262 CD GLU A 408 -29.683 -15.736 28.119 1.00134.23 C ATOM 1263 OE1 GLU A 408 -29.902 -14.538 28.389 1.00136.18 O ATOM 1264 OE2 GLU A 408 -30.507 -16.646 28.337 1.00127.62 O ATOM 1265 H GLU A 408 -27.630 -14.707 29.739 1.00 0.00 H ATOM 1266 N LYS A 409 -25.303 -12.673 28.326 1.00112.14 N ATOM 1267 CA LYS A 409 -24.382 -11.574 28.043 1.00113.22 C ATOM 1268 C LYS A 409 -22.974 -11.924 28.491 1.00110.90 C ATOM 1269 O LYS A 409 -22.010 -11.600 27.813 1.00116.85 O ATOM 1270 CB LYS A 409 -24.773 -10.264 28.749 1.00107.39 C ATOM 1271 CG LYS A 409 -23.985 -9.029 28.265 1.00110.68 C ATOM 1272 CD LYS A 409 -23.765 -7.956 29.330 1.00113.55 C ATOM 1273 CE LYS A 409 -23.134 -6.693 28.726 1.00107.85 C ATOM 1274 NZ LYS A 409 -22.707 -5.720 29.770 1.00103.48 N ATOM 1275 HZ1 LYS A 409 -23.533 -5.431 30.332 1.00 0.00 H ATOM 1276 HZ2 LYS A 409 -22.003 -6.167 30.392 1.00 0.00 H ATOM 1277 HZ3 LYS A 409 -22.288 -4.885 29.313 1.00 0.00 H ATOM 1278 H LYS A 409 -26.068 -12.527 29.015 1.00 0.00 H ATOM 1279 N GLN A 410 -22.861 -12.550 29.655 1.00100.49 N ATOM 1280 CA GLN A 410 -21.557 -12.795 30.254 1.00103.51 C ATOM 1281 C GLN A 410 -20.863 -13.967 29.558 1.00 87.12 C ATOM 1282 O GLN A 410 -19.644 -13.979 29.368 1.00 86.42 O ATOM 1283 CB GLN A 410 -21.708 -13.092 31.750 1.00102.05 C ATOM 1284 CG GLN A 410 -22.146 -11.923 32.625 1.00104.73 C ATOM 1285 CD GLN A 410 -23.557 -11.407 32.316 1.00115.08 C ATOM 1286 OE1 GLN A 410 -24.511 -12.186 32.204 1.00122.61 O ATOM 1287 NE2 GLN A 410 -23.696 -10.088 32.166 1.00110.10 N ATOM 1288 HE22 GLN A 410 -22.871 -9.463 32.267 1.00 0.00 H ATOM 1289 HE21 GLN A 410 -24.630 -9.685 31.948 1.00 0.00 H ATOM 1290 H GLN A 410 -23.719 -12.871 30.148 1.00 0.00 H ATOM 1291 N ARG A 411 -21.664 -14.958 29.217 1.00 82.54 N ATOM 1292 CA ARG A 411 -21.231 -16.094 28.416 1.00 87.16 C ATOM 1293 C ARG A 411 -20.630 -15.642 27.110 1.00 87.94 C ATOM 1294 O ARG A 411 -19.612 -16.163 26.655 1.00 86.75 O ATOM 1295 CB ARG A 411 -22.434 -16.991 28.101 1.00 81.36 C ATOM 1296 CG ARG A 411 -22.016 -18.384 27.669 1.00 86.81 C ATOM 1297 CD ARG A 411 -22.799 -18.911 26.499 1.00 89.49 C ATOM 1298 NE ARG A 411 -22.517 -20.336 26.363 1.00102.69 N ATOM 1299 CZ ARG A 411 -23.406 -21.333 26.453 1.00107.99 C ATOM 1300 NH1 ARG A 411 -24.703 -21.104 26.663 1.00112.53 N ATOM 1301 NH2 ARG A 411 -22.985 -22.588 26.308 1.00103.08 N ATOM 1302 HE ARG A 411 -21.529 -20.603 26.178 1.00 0.00 H ATOM 1303 HH12 ARG A 411 -25.368 -21.901 26.728 1.00 0.00 H ATOM 1304 HH11 ARG A 411 -25.049 -20.128 26.762 1.00 0.00 H ATOM 1305 HH22 ARG A 411 -23.662 -23.375 26.375 1.00 0.00 H ATOM 1306 HH21 ARG A 411 -21.979 -22.782 26.128 1.00 0.00 H ATOM 1307 H ARG A 411 -22.653 -14.926 29.536 1.00 0.00 H ATOM 1308 N ALA A 412 -21.296 -14.672 26.504 1.00103.18 N ATOM 1309 CA ALA A 412 -20.912 -14.151 25.198 1.00 96.32 C ATOM 1310 C ALA A 412 -19.538 -13.455 25.284 1.00 87.09 C ATOM 1311 O ALA A 412 -18.635 -13.771 24.525 1.00 81.07 O ATOM 1312 CB ALA A 412 -21.982 -13.177 24.699 1.00 86.76 C ATOM 1313 H ALA A 412 -22.127 -14.265 26.979 1.00 0.00 H ATOM 1314 N GLU A 413 -19.422 -12.510 26.211 1.00 89.89 N ATOM 1315 CA GLU A 413 -18.212 -11.742 26.417 1.00 98.21 C ATOM 1316 C GLU A 413 -17.052 -12.677 26.733 1.00 97.03 C ATOM 1317 O GLU A 413 -15.999 -12.599 26.096 1.00104.81 O ATOM 1318 CB GLU A 413 -18.447 -10.666 27.485 1.00100.82 C ATOM 1319 CG GLU A 413 -17.423 -10.617 28.597 1.00118.69 C ATOM 1320 CD GLU A 413 -17.343 -9.256 29.263 1.00130.96 C ATOM 1321 OE1 GLU A 413 -16.316 -8.586 29.033 1.00141.00 O ATOM 1322 OE2 GLU A 413 -18.293 -8.849 29.997 1.00110.39 O ATOM 1323 H GLU A 413 -20.242 -12.312 26.819 1.00 0.00 H ATOM 1324 N TRP A 414 -17.258 -13.590 27.678 1.00 92.01 N ATOM 1325 CA TRP A 414 -16.234 -14.584 28.008 1.00 87.59 C ATOM 1326 C TRP A 414 -15.811 -15.425 26.804 1.00 82.96 C ATOM 1327 O TRP A 414 -14.621 -15.501 26.476 1.00 79.49 O ATOM 1328 CB TRP A 414 -16.731 -15.524 29.092 1.00 82.51 C ATOM 1329 CG TRP A 414 -15.664 -16.502 29.553 1.00 77.44 C ATOM 1330 CD1 TRP A 414 -14.760 -16.314 30.566 1.00 74.58 C ATOM 1331 CD2 TRP A 414 -15.410 -17.819 29.027 1.00 63.68 C ATOM 1332 NE1 TRP A 414 -13.948 -17.423 30.683 1.00 74.61 N ATOM 1333 CE2 TRP A 414 -14.330 -18.359 29.753 1.00 61.21 C ATOM 1334 CE3 TRP A 414 -15.987 -18.586 27.998 1.00 77.62 C ATOM 1335 CZ2 TRP A 414 -13.814 -19.634 29.495 1.00 68.77 C ATOM 1336 CZ3 TRP A 414 -15.471 -19.874 27.734 1.00 78.40 C ATOM 1337 CH2 TRP A 414 -14.397 -20.379 28.485 1.00 75.01 C ATOM 1338 HE1 TRP A 414 -13.171 -17.533 31.366 1.00 0.00 H ATOM 1339 H TRP A 414 -18.162 -13.598 28.192 1.00 0.00 H ATOM 1340 N GLU A 415 -16.784 -16.059 26.155 1.00 77.26 N ATOM 1341 CA GLU A 415 -16.498 -16.874 24.970 1.00 83.19 C ATOM 1342 C GLU A 415 -15.667 -16.084 23.961 1.00 84.02 C ATOM 1343 O GLU A 415 -14.692 -16.596 23.410 1.00 85.57 O ATOM 1344 CB GLU A 415 -17.780 -17.438 24.341 1.00 89.70 C ATOM 1345 CG GLU A 415 -18.283 -18.705 25.055 1.00 98.38 C ATOM 1346 CD GLU A 415 -19.533 -19.332 24.437 1.00104.36 C ATOM 1347 OE1 GLU A 415 -19.933 -18.950 23.314 1.00113.95 O ATOM 1348 OE2 GLU A 415 -20.115 -20.227 25.083 1.00104.63 O ATOM 1349 H GLU A 415 -17.764 -15.975 26.494 1.00 0.00 H ATOM 1350 N ALA A 416 -16.004 -14.810 23.789 1.00 76.89 N ATOM 1351 CA ALA A 416 -15.228 -13.926 22.920 1.00 74.32 C ATOM 1352 C ALA A 416 -13.778 -13.726 23.387 1.00 70.52 C ATOM 1353 O ALA A 416 -12.853 -13.861 22.587 1.00 71.62 O ATOM 1354 CB ALA A 416 -15.920 -12.587 22.779 1.00 66.89 C ATOM 1355 H ALA A 416 -16.838 -14.433 24.283 1.00 0.00 H ATOM 1356 N ARG A 417 -13.619 -13.446 24.661 1.00 66.42 N ATOM 1357 CA ARG A 417 -12.319 -13.197 25.176 1.00 72.95 C ATOM 1358 C ARG A 417 -11.532 -14.445 24.955 1.00 72.67 C ATOM 1359 O ARG A 417 -10.407 -14.385 24.541 1.00 80.21 O ATOM 1360 CB ARG A 417 -12.401 -12.922 26.665 1.00 79.32 C ATOM 1361 CG ARG A 417 -12.218 -11.473 27.066 1.00 94.61 C ATOM 1362 CD ARG A 417 -11.598 -11.309 28.446 1.00 96.78 C ATOM 1363 NE ARG A 417 -12.500 -11.735 29.503 1.00 92.71 N ATOM 1364 CZ ARG A 417 -13.747 -11.311 29.623 1.00110.76 C ATOM 1365 NH1 ARG A 417 -14.226 -10.438 28.761 1.00125.94 N ATOM 1366 NH2 ARG A 417 -14.517 -11.753 30.603 1.00106.05 N ATOM 1367 HE ARG A 417 -12.144 -12.413 30.206 1.00 0.00 H ATOM 1368 HH12 ARG A 417 -15.206 -10.102 28.852 1.00 0.00 H ATOM 1369 HH11 ARG A 417 -13.624 -10.085 27.990 1.00 0.00 H ATOM 1370 HH22 ARG A 417 -15.496 -11.413 30.689 1.00 0.00 H ATOM 1371 HH21 ARG A 417 -14.143 -12.440 31.288 1.00 0.00 H ATOM 1372 H ARG A 417 -14.445 -13.407 25.292 1.00 0.00 H ATOM 1373 N TYR A 418 -12.127 -15.591 25.218 1.00 67.26 N ATOM 1374 CA TYR A 418 -11.391 -16.825 25.123 1.00 67.74 C ATOM 1375 C TYR A 418 -10.952 -17.062 23.713 1.00 68.36 C ATOM 1376 O TYR A 418 -9.850 -17.497 23.462 1.00 69.99 O ATOM 1377 CB TYR A 418 -12.238 -17.990 25.596 1.00 20.00 C ATOM 1378 CG TYR A 418 -11.478 -19.280 25.752 1.00 20.00 C ATOM 1379 CD1 TYR A 418 -10.548 -19.425 26.725 1.00 20.00 C ATOM 1380 CD2 TYR A 418 -11.703 -20.347 24.921 1.00 20.00 C ATOM 1381 CE1 TYR A 418 -9.851 -20.596 26.873 1.00 20.00 C ATOM 1382 CE2 TYR A 418 -11.008 -21.522 25.063 1.00 20.00 C ATOM 1383 CZ TYR A 418 -10.079 -21.637 26.043 1.00 20.00 C ATOM 1384 OH TYR A 418 -9.378 -22.800 26.209 1.00 20.00 O ATOM 1385 HH TYR A 418 -8.749 -22.700 26.967 1.00 0.00 H ATOM 1386 H TYR A 418 -13.129 -15.604 25.495 1.00 0.00 H ATOM 1387 N ALA A 419 -11.832 -16.769 22.781 1.00 68.62 N ATOM 1388 CA ALA A 419 -11.561 -17.064 21.404 1.00 66.56 C ATOM 1389 C ALA A 419 -10.374 -16.285 20.967 1.00 58.04 C ATOM 1390 O ALA A 419 -9.519 -16.779 20.290 1.00 58.67 O ATOM 1391 CB ALA A 419 -12.750 -16.692 20.565 1.00 62.53 C ATOM 1392 H ALA A 419 -12.732 -16.320 23.045 1.00 0.00 H ATOM 1393 N GLU A 420 -10.332 -15.044 21.382 1.00 60.69 N ATOM 1394 CA GLU A 420 -9.212 -14.178 21.069 1.00 61.38 C ATOM 1395 C GLU A 420 -7.934 -14.696 21.656 1.00 57.91 C ATOM 1396 O GLU A 420 -6.899 -14.676 21.008 1.00 64.41 O ATOM 1397 CB GLU A 420 -9.393 -12.747 21.583 1.00 67.23 C ATOM 1398 CG GLU A 420 -9.820 -11.785 20.503 1.00 67.72 C ATOM 1399 CD GLU A 420 -9.015 -11.976 19.239 1.00 76.58 C ATOM 1400 OE1 GLU A 420 -7.890 -11.438 19.149 1.00 66.93 O ATOM 1401 OE2 GLU A 420 -9.521 -12.703 18.353 1.00 77.85 O ATOM 1402 H GLU A 420 -11.120 -14.671 21.949 1.00 0.00 H ATOM 1403 N ALA A 421 -8.005 -15.161 22.878 1.00 59.66 N ATOM 1404 CA ALA A 421 -6.812 -15.670 23.525 1.00 61.25 C ATOM 1405 C ALA A 421 -6.267 -16.882 22.776 1.00 59.91 C ATOM 1406 O ALA A 421 -5.057 -17.028 22.579 1.00 57.07 O ATOM 1407 CB ALA A 421 -7.143 -16.037 24.943 1.00 59.85 C ATOM 1408 H ALA A 421 -8.914 -15.165 23.383 1.00 0.00 H ATOM 1409 N GLU A 422 -7.175 -17.721 22.312 1.00 55.81 N ATOM 1410 CA GLU A 422 -6.776 -18.860 21.506 1.00 62.42 C ATOM 1411 C GLU A 422 -6.082 -18.404 20.249 1.00 66.96 C ATOM 1412 O GLU A 422 -4.962 -18.874 19.923 1.00 60.75 O ATOM 1413 CB GLU A 422 -7.992 -19.700 21.113 1.00 68.60 C ATOM 1414 CG GLU A 422 -8.315 -20.784 22.105 1.00 73.42 C ATOM 1415 CD GLU A 422 -9.539 -21.589 21.723 1.00 81.62 C ATOM 1416 OE1 GLU A 422 -10.595 -20.978 21.463 1.00 92.33 O ATOM 1417 OE2 GLU A 422 -9.463 -22.836 21.707 1.00 96.19 O ATOM 1418 H GLU A 422 -8.181 -17.565 22.525 1.00 0.00 H ATOM 1419 N ARG A 423 -6.756 -17.485 19.535 1.00 63.91 N ATOM 1420 CA ARG A 423 -6.256 -17.002 18.242 1.00 63.41 C ATOM 1421 C ARG A 423 -4.846 -16.554 18.430 1.00 58.74 C ATOM 1422 O ARG A 423 -3.957 -16.843 17.646 1.00 67.26 O ATOM 1423 CB ARG A 423 -7.105 -15.840 17.712 1.00 69.24 C ATOM 1424 CG ARG A 423 -7.315 -15.817 16.187 1.00 70.66 C ATOM 1425 CD ARG A 423 -8.113 -14.598 15.702 1.00 70.78 C ATOM 1426 NE ARG A 423 -7.649 -13.337 16.300 1.00 75.89 N ATOM 1427 CZ ARG A 423 -6.738 -12.508 15.803 1.00 68.31 C ATOM 1428 NH1 ARG A 423 -6.154 -12.748 14.644 1.00 75.70 N ATOM 1429 NH2 ARG A 423 -6.409 -11.421 16.472 1.00 65.98 N ATOM 1430 HE ARG A 423 -8.079 -13.066 17.207 1.00 0.00 H ATOM 1431 HH12 ARG A 423 -5.443 -12.086 14.273 1.00 0.00 H ATOM 1432 HH11 ARG A 423 -6.405 -13.599 14.102 1.00 0.00 H ATOM 1433 HH22 ARG A 423 -5.696 -10.769 16.087 1.00 0.00 H ATOM 1434 HH21 ARG A 423 -6.862 -11.215 17.385 1.00 0.00 H ATOM 1435 H ARG A 423 -7.651 -17.108 19.907 1.00 0.00 H ATOM 1436 N ARG A 424 -4.646 -15.838 19.511 1.00 56.59 N ATOM 1437 CA ARG A 424 -3.366 -15.247 19.750 1.00 54.68 C ATOM 1438 C ARG A 424 -2.307 -16.291 19.973 1.00 55.27 C ATOM 1439 O ARG A 424 -1.178 -16.137 19.515 1.00 53.92 O ATOM 1440 CB ARG A 424 -3.478 -14.280 20.919 1.00 58.18 C ATOM 1441 CG ARG A 424 -4.407 -13.128 20.560 1.00 66.24 C ATOM 1442 CD ARG A 424 -4.475 -11.984 21.554 1.00 60.44 C ATOM 1443 NE ARG A 424 -5.308 -10.916 20.995 1.00 67.31 N ATOM 1444 CZ ARG A 424 -5.373 -9.681 21.487 1.00 65.18 C ATOM 1445 NH1 ARG A 424 -4.732 -9.357 22.594 1.00 53.91 N ATOM 1446 NH2 ARG A 424 -6.095 -8.772 20.876 1.00 65.86 N ATOM 1447 HE ARG A 424 -5.886 -11.137 20.159 1.00 0.00 H ATOM 1448 HH12 ARG A 424 -4.793 -8.388 22.965 1.00 0.00 H ATOM 1449 HH11 ARG A 424 -4.166 -10.071 23.095 1.00 0.00 H ATOM 1450 HH22 ARG A 424 -6.147 -7.806 21.258 1.00 0.00 H ATOM 1451 HH21 ARG A 424 -6.615 -9.017 20.009 1.00 0.00 H ATOM 1452 H ARG A 424 -5.418 -15.700 20.194 1.00 0.00 H ATOM 1453 N HIS A 425 -2.654 -17.328 20.720 1.00 55.01 N ATOM 1454 CA HIS A 425 -1.703 -18.392 20.965 1.00 57.90 C ATOM 1455 C HIS A 425 -1.406 -19.080 19.646 1.00 57.01 C ATOM 1456 O HIS A 425 -0.236 -19.295 19.320 1.00 53.34 O ATOM 1457 CB HIS A 425 -2.221 -19.410 21.995 1.00 55.72 C ATOM 1458 CG HIS A 425 -1.257 -20.531 22.269 1.00 60.13 C ATOM 1459 ND1 HIS A 425 -1.478 -21.833 21.850 1.00 50.10 N ATOM 1460 CD2 HIS A 425 -0.046 -20.530 22.896 1.00 59.75 C ATOM 1461 CE1 HIS A 425 -0.458 -22.582 22.238 1.00 54.95 C ATOM 1462 NE2 HIS A 425 0.428 -21.817 22.864 1.00 56.81 N ATOM 1463 H HIS A 425 -3.608 -17.378 21.130 1.00 0.00 H ATOM 1464 N LYS A 426 -2.450 -19.395 18.876 1.00 61.97 N ATOM 1465 CA LYS A 426 -2.247 -20.002 17.543 1.00 64.88 C ATOM 1466 C LYS A 426 -1.258 -19.208 16.703 1.00 64.37 C ATOM 1467 O LYS A 426 -0.279 -19.758 16.203 1.00 73.44 O ATOM 1468 CB LYS A 426 -3.567 -20.168 16.797 1.00 69.43 C ATOM 1469 CG LYS A 426 -4.342 -21.419 17.227 1.00 81.63 C ATOM 1470 CD LYS A 426 -5.803 -21.406 16.764 1.00 89.61 C ATOM 1471 CE LYS A 426 -6.595 -22.518 17.448 1.00100.55 C ATOM 1472 NZ LYS A 426 -7.971 -22.673 16.891 1.00106.72 N ATOM 1473 HZ1 LYS A 426 -8.496 -21.784 17.016 1.00 0.00 H ATOM 1474 HZ2 LYS A 426 -7.910 -22.902 15.878 1.00 0.00 H ATOM 1475 HZ3 LYS A 426 -8.462 -23.441 17.392 1.00 0.00 H ATOM 1476 H LYS A 426 -3.415 -19.212 19.217 1.00 0.00 H ATOM 1477 N MET A 427 -1.471 -17.908 16.603 1.00 61.95 N ATOM 1478 CA MET A 427 -0.537 -17.060 15.873 1.00 63.59 C ATOM 1479 C MET A 427 0.869 -17.253 16.397 1.00 57.17 C ATOM 1480 O MET A 427 1.845 -17.330 15.644 1.00 68.82 O ATOM 1481 CB MET A 427 -0.935 -15.582 15.967 1.00 60.81 C ATOM 1482 CG MET A 427 -2.278 -15.314 15.293 1.00 58.82 C ATOM 1483 SD MET A 427 -2.608 -13.568 14.969 1.00 65.59 S ATOM 1484 CE MET A 427 -3.484 -13.010 16.438 1.00 70.17 C ATOM 1485 H MET A 427 -2.311 -17.487 17.048 1.00 0.00 H ATOM 1486 N HIS A 428 0.997 -17.312 17.694 1.00 50.91 N ATOM 1487 CA HIS A 428 2.332 -17.356 18.266 1.00 57.43 C ATOM 1488 C HIS A 428 2.956 -18.682 17.797 1.00 60.57 C ATOM 1489 O HIS A 428 4.171 -18.755 17.557 1.00 57.40 O ATOM 1490 CB HIS A 428 2.270 -17.295 19.806 1.00 54.47 C ATOM 1491 CG HIS A 428 3.561 -16.938 20.452 1.00 44.96 C ATOM 1492 ND1 HIS A 428 3.690 -16.799 21.817 1.00 46.84 N ATOM 1493 CD2 HIS A 428 4.777 -16.669 19.932 1.00 48.27 C ATOM 1494 CE1 HIS A 428 4.947 -16.489 22.116 1.00 49.17 C ATOM 1495 NE2 HIS A 428 5.630 -16.413 20.990 1.00 52.25 N ATOM 1496 H HIS A 428 0.158 -17.327 18.308 1.00 0.00 H ATOM 1497 N THR A 429 2.124 -19.726 17.728 1.00 53.23 N ATOM 1498 CA THR A 429 2.602 -21.059 17.380 1.00 63.18 C ATOM 1499 C THR A 429 3.203 -20.855 15.993 1.00 64.50 C ATOM 1500 O THR A 429 4.420 -21.038 15.798 1.00 59.61 O ATOM 1501 CB THR A 429 1.465 -22.139 17.375 1.00 67.56 C ATOM 1502 OG1 THR A 429 1.121 -22.529 18.713 1.00 55.80 O ATOM 1503 CG2 THR A 429 1.881 -23.395 16.593 1.00 59.96 C ATOM 1504 HG1 THR A 429 1.919 -22.909 19.160 1.00 0.00 H ATOM 1505 H THR A 429 1.113 -19.584 17.927 1.00 0.00 H ATOM 1506 N ALA A 430 2.364 -20.369 15.072 1.00 61.20 N ATOM 1507 CA ALA A 430 2.836 -20.007 13.708 1.00 66.89 C ATOM 1508 C ALA A 430 4.190 -19.241 13.728 1.00 67.20 C ATOM 1509 O ALA A 430 5.111 -19.586 12.996 1.00 77.83 O ATOM 1510 CB ALA A 430 1.785 -19.216 12.957 1.00 54.10 C ATOM 1511 H ALA A 430 1.361 -20.241 15.314 1.00 0.00 H ATOM 1512 N GLN A 431 4.321 -18.242 14.587 1.00 58.99 N ATOM 1513 CA GLN A 431 5.574 -17.514 14.681 1.00 55.73 C ATOM 1514 C GLN A 431 6.712 -18.426 15.098 1.00 63.09 C ATOM 1515 O GLN A 431 7.843 -18.327 14.601 1.00 60.87 O ATOM 1516 CB GLN A 431 5.405 -16.315 15.637 1.00 55.11 C ATOM 1517 CG GLN A 431 6.696 -15.655 16.131 1.00 50.57 C ATOM 1518 CD GLN A 431 6.390 -14.312 16.797 1.00 63.19 C ATOM 1519 OE1 GLN A 431 5.731 -13.447 16.200 1.00 62.13 O ATOM 1520 NE2 GLN A 431 6.848 -14.131 18.040 1.00 62.66 N ATOM 1521 HE22 GLN A 431 7.397 -14.881 18.506 1.00 0.00 H ATOM 1522 HE21 GLN A 431 6.655 -13.240 18.541 1.00 0.00 H ATOM 1523 H GLN A 431 3.522 -17.977 15.198 1.00 0.00 H ATOM 1524 N MET A 432 6.432 -19.320 16.037 1.00 71.94 N ATOM 1525 CA MET A 432 7.481 -20.226 16.479 1.00 76.00 C ATOM 1526 C MET A 432 7.824 -21.231 15.366 1.00 73.81 C ATOM 1527 O MET A 432 8.964 -21.544 15.149 1.00 66.71 O ATOM 1528 CB MET A 432 7.051 -20.960 17.735 1.00 71.42 C ATOM 1529 CG MET A 432 6.794 -20.061 18.916 1.00 67.16 C ATOM 1530 SD MET A 432 8.273 -19.335 19.615 1.00 59.19 S ATOM 1531 CE MET A 432 9.184 -20.747 20.208 1.00 68.14 C ATOM 1532 H MET A 432 5.479 -19.372 16.450 1.00 0.00 H ATOM 1533 N GLU A 433 6.820 -21.726 14.658 1.00 83.00 N ATOM 1534 CA GLU A 433 7.042 -22.660 13.537 1.00 90.69 C ATOM 1535 C GLU A 433 7.875 -22.018 12.441 1.00 93.79 C ATOM 1536 O GLU A 433 8.759 -22.650 11.868 1.00101.76 O ATOM 1537 CB GLU A 433 5.709 -23.126 12.953 1.00 90.39 C ATOM 1538 CG GLU A 433 5.056 -24.317 13.640 1.00 86.31 C ATOM 1539 CD GLU A 433 3.588 -24.499 13.229 1.00 94.81 C ATOM 1540 OE1 GLU A 433 2.985 -25.538 13.590 1.00 98.22 O ATOM 1541 OE2 GLU A 433 3.024 -23.597 12.560 1.00 80.50 O ATOM 1542 H GLU A 433 5.847 -21.449 14.899 1.00 0.00 H ATOM 1543 N LYS A 434 7.605 -20.747 12.178 1.00 98.37 N ATOM 1544 CA LYS A 434 8.389 -19.957 11.219 1.00102.54 C ATOM 1545 C LYS A 434 9.791 -19.660 11.760 1.00 97.27 C ATOM 1546 O LYS A 434 10.511 -18.819 11.249 1.00 91.96 O ATOM 1547 CB LYS A 434 7.663 -18.660 10.834 1.00104.71 C ATOM 1548 CG LYS A 434 6.565 -18.890 9.770 1.00105.93 C ATOM 1549 CD LYS A 434 6.582 -17.888 8.636 1.00110.53 C ATOM 1550 CE LYS A 434 6.862 -18.572 7.310 1.00104.98 C ATOM 1551 NZ LYS A 434 7.108 -17.614 6.204 1.00104.36 N ATOM 1552 HZ1 LYS A 434 6.271 -17.010 6.078 1.00 0.00 H ATOM 1553 HZ2 LYS A 434 7.932 -17.023 6.436 1.00 0.00 H ATOM 1554 HZ3 LYS A 434 7.293 -18.140 5.326 1.00 0.00 H ATOM 1555 H LYS A 434 6.809 -20.292 12.669 1.00 0.00 H ATOM 1556 N PHE A 435 10.174 -20.373 12.801 1.00102.77 N ATOM 1557 CA PHE A 435 11.511 -20.313 13.303 1.00107.24 C ATOM 1558 C PHE A 435 12.337 -21.481 12.790 1.00115.47 C ATOM 1559 O PHE A 435 13.323 -21.860 13.422 1.00110.71 O ATOM 1560 CB PHE A 435 11.474 -20.317 14.799 1.00115.36 C ATOM 1561 CG PHE A 435 12.523 -19.484 15.392 1.00118.37 C ATOM 1562 CD1 PHE A 435 12.401 -18.102 15.337 1.00108.63 C ATOM 1563 CD2 PHE A 435 13.649 -20.053 15.973 1.00117.85 C ATOM 1564 CE1 PHE A 435 13.374 -17.293 15.887 1.00104.39 C ATOM 1565 CE2 PHE A 435 14.629 -19.247 16.520 1.00119.25 C ATOM 1566 CZ PHE A 435 14.489 -17.864 16.482 1.00112.01 C ATOM 1567 H PHE A 435 9.485 -20.996 13.269 1.00 0.00 H ATOM 1568 N ALA A 436 11.910 -22.026 11.642 1.00126.55 N ATOM 1569 CA ALA A 436 12.702 -22.918 10.775 1.00119.46 C ATOM 1570 C ALA A 436 13.956 -22.210 10.242 1.00125.05 C ATOM 1571 O ALA A 436 14.767 -22.837 9.560 1.00127.35 O ATOM 1572 CB ALA A 436 11.858 -23.435 9.608 1.00104.17 C ATOM 1573 H ALA A 436 10.941 -21.801 11.338 1.00 0.00 H ATOM 1574 N ALA A 437 14.095 -20.911 10.532 1.00120.56 N ATOM 1575 CA ALA A 437 15.343 -20.160 10.297 1.00127.64 C ATOM 1576 C ALA A 437 16.572 -20.774 10.990 1.00140.58 C ATOM 1577 O ALA A 437 17.637 -20.833 10.376 1.00146.60 O ATOM 1578 CB ALA A 437 15.189 -18.689 10.714 1.00116.84 C ATOM 1579 H ALA A 437 13.284 -20.406 10.943 1.00 0.00 H ATOM 1580 N ALA A 438 16.432 -21.230 12.244 1.00140.25 N ATOM 1581 CA ALA A 438 17.578 -21.768 13.019 1.00132.71 C ATOM 1582 C ALA A 438 17.943 -23.224 12.661 1.00129.58 C ATOM 1583 O ALA A 438 17.404 -23.807 11.705 1.00125.21 O ATOM 1584 CB ALA A 438 17.320 -21.654 14.519 1.00122.33 C ATOM 1585 H ALA A 438 15.491 -21.206 12.687 1.00 0.00 H TER 1586 ALA A 438 HETATM 1587 O HOH 1 18.271 -0.360 26.469 1.00 59.47 O HETATM 1588 O HOH 2 -1.551 -3.749 15.324 1.00 60.20 O HETATM 1589 O HOH 3 -1.386 -23.408 18.924 1.00 50.44 O HETATM 1590 O HOH 4 7.750 2.015 34.321 1.00 75.75 O HETATM 1591 O HOH 5 12.149 -3.637 24.516 1.00 50.72 O HETATM 1592 O HOH 6 -1.658 -11.476 30.135 1.00 65.58 O HETATM 1593 O HOH 7 -3.354 -11.113 24.092 1.00 60.80 O HETATM 1594 O HOH 8 13.806 -4.044 6.668 1.00 59.37 O HETATM 1595 O HOH 9 1.019 -20.767 26.335 1.00 55.99 O HETATM 1596 O HOH 10 5.868 9.687 16.779 1.00 65.89 O HETATM 1597 O HOH 11 14.832 -14.426 14.649 1.00 66.87 O HETATM 1598 O HOH 12 21.267 -7.277 20.160 1.00 60.04 O HETATM 1599 O HOH 13 8.414 1.568 29.182 1.00 66.01 O HETATM 1600 O HOH 14 -3.335 -26.697 24.607 1.00 65.09 O HETATM 1601 O HOH 15 0.694 -18.156 39.498 1.00 70.80 O HETATM 1602 O HOH 16 -4.441 -11.082 30.187 1.00 58.96 O HETATM 1603 O HOH 17 -3.759 -22.965 20.426 1.00 54.33 O HETATM 1604 O HOH 18 -14.736 -22.631 31.649 1.00 51.73 O HETATM 1605 O HOH 19 7.105 9.267 24.337 1.00 57.79 O HETATM 1606 O HOH 20 4.988 -1.296 33.814 1.00 69.17 O HETATM 1607 O HOH 21 -6.846 17.285 28.039 1.00 76.19 O HETATM 1608 O HOH 22 19.840 -20.546 8.546 1.00 81.39 O HETATM 1609 O HOH 23 6.431 -7.129 6.042 1.00 63.67 O HETATM 1610 C1 VGL A 24 15.457 6.504 22.139 1.00 0.11 C HETATM 1611 C2 VGL A 24 14.803 7.674 21.498 1.00 0.09 C HETATM 1612 O1 VGL A 24 13.713 8.063 21.999 1.00 -0.56 O HETATM 1613 O2 VGL A 24 15.367 8.194 20.487 1.00 -0.56 O HETATM 1614 C6 VGL A 24 16.796 6.203 21.835 1.00 0.06 C HETATM 1615 N5 VGL A 24 17.384 5.138 22.393 1.00 -0.27 N HETATM 1616 C4 VGL A 24 16.670 4.381 23.269 1.00 0.04 C HETATM 1617 C3 VGL A 24 15.325 4.686 23.559 1.00 0.05 C HETATM 1618 N2 VGL A 24 14.712 5.749 22.989 1.00 -0.26 N HETATM 1619 H1 VGL A 24 14.773 4.059 24.250 1.00 0.09 H HETATM 1620 H2 VGL A 24 17.142 3.532 23.750 1.00 0.09 H HETATM 1621 H3 VGL A 24 17.352 6.833 21.149 1.00 0.10 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1610 1611 1614 1618 CONECT 1611 1610 1612 1613 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1610 1615 1621 CONECT 1615 1614 1616 CONECT 1616 1615 1617 1620 CONECT 1617 1616 1618 1619 CONECT 1618 1610 1617 CONECT 1619 1617 CONECT 1620 1616 CONECT 1621 1614 MASTER 0 0 0 0 0 0 0 0 1620 1 16 13 END
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Related entries of code: 4nni
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5gj9
RCSB PDB
PDBbind
VGL
Entry Information
PDB ID
4nni
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mycobacterium tuberculosis ribosomal protein S1 CTD
Ligand Name
VGL
EC.Number
E.C.-.-.-.-
Resolution
2.64(Å)
Affinity (Kd/Ki/IC50)
Kd=3.13uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Microbiol. Vol. 95: pp. 791-803
Ligand Properties
Formula
C
5
H
4
N
2
O
2
Molecular Weight
124.097
Exact Mass
124.027
No. of atoms
13
No. of bonds
13
Polar Surface Area
63.08
LOGP Value
0.43 (
Computed with XLOGP3
)
0.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
OC(=O)c1cnccn1
InChI String
InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
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):
P9WH43
Entrez Gene ID
NCBI Entrez Gene ID:
885188
ASD
Information of known allosteric effects of PDB entries
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