Browse entries in the PDBbind-CN Database
HEADER 5WE9_COMPLEX COMPND 5WE9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 178 MET GLU ASP PHE VAL ARG GLN CYS PHE ASN PRO MET ILE SEQRES 2 A 178 VAL GLU LEU ALA GLU LYS ALA MET LYS GLU TYR GLY GLU SEQRES 3 A 178 ASP PRO LYS ILE GLU THR ASN LYS PHE ALA ALA ILE CYS SEQRES 4 A 178 THR HIS LEU GLU VAL CYS PHE MET TYR SER ASP GLY GLY SEQRES 5 A 178 SER LYS HIS ARG PHE GLU ILE ILE GLU GLY ARG ASP ARG SEQRES 6 A 178 ILE MET ALA TRP THR VAL VAL ASN SER ILE CYS ASN THR SEQRES 7 A 178 THR GLY VAL GLU LYS PRO LYS PHE LEU PRO ASP LEU TYR SEQRES 8 A 178 ASP TYR LYS GLU ASN ARG PHE ILE GLU ILE GLY VAL THR SEQRES 9 A 178 ARG ARG GLU VAL HIS ILE TYR TYR LEU GLU LYS ALA ASN SEQRES 10 A 178 LYS ILE LYS SER GLU LYS THR HIS ILE HIS ILE PHE SER SEQRES 11 A 178 PHE THR GLY GLU GLU MET ALA THR LYS ALA ASP TYR THR SEQRES 12 A 178 LEU ASP GLU GLU SER ARG ALA ARG ILE LYS THR ARG LEU SEQRES 13 A 178 PHE THR ILE ARG GLN GLU MET ALA SER ARG SER LEU TRP SEQRES 14 A 178 ASP SER PHE ARG GLN SER GLU ARG ALA HET MN A 1 1 HET MG A 2 1 HET GY A 7 56 ATOM 1 N MET A 1 -14.024 84.679 -4.536 1.00 28.59 N ATOM 2 CA MET A 1 -14.127 84.057 -3.214 1.00 31.42 C ATOM 3 C MET A 1 -14.961 84.886 -2.239 1.00 27.81 C ATOM 4 O MET A 1 -15.732 84.320 -1.477 1.00 28.13 O ATOM 5 CB MET A 1 -12.748 83.792 -2.598 1.00 29.98 C ATOM 6 CG MET A 1 -12.843 83.255 -1.151 1.00 24.14 C ATOM 7 SD MET A 1 -13.564 81.613 -1.060 1.00 27.22 S ATOM 8 CE MET A 1 -12.028 80.777 -1.303 1.00 29.35 C ATOM 9 HN3 MET A 1 -13.575 85.613 -4.444 1.00 0.00 H ATOM 10 HN2 MET A 1 -14.975 84.789 -4.941 1.00 0.00 H ATOM 11 HN1 MET A 1 -13.448 84.076 -5.158 1.00 0.00 H ATOM 12 N GLU A 2 -14.834 86.221 -2.252 1.00 27.24 N ATOM 13 CA GLU A 2 -15.723 87.019 -1.401 1.00 23.02 C ATOM 14 C GLU A 2 -17.183 86.767 -1.753 1.00 24.34 C ATOM 15 O GLU A 2 -18.030 86.625 -0.861 1.00 24.10 O ATOM 16 CB GLU A 2 -15.403 88.511 -1.514 1.00 23.63 C ATOM 17 CG GLU A 2 -16.158 89.341 -0.478 1.00 26.60 C ATOM 18 CD GLU A 2 -16.089 90.841 -0.729 1.00 36.19 C ATOM 19 OE1 GLU A 2 -15.274 91.279 -1.581 1.00 32.35 O ATOM 20 OE2 GLU A 2 -16.868 91.577 -0.077 1.00 37.47 O ATOM 21 H GLU A 2 -14.120 86.681 -2.853 1.00 0.00 H ATOM 22 N ASP A 3 -17.487 86.665 -3.057 1.00 25.60 N ATOM 23 CA ASP A 3 -18.843 86.360 -3.495 1.00 29.98 C ATOM 24 C ASP A 3 -19.254 84.961 -3.072 1.00 29.69 C ATOM 25 O ASP A 3 -20.404 84.738 -2.679 1.00 26.36 O ATOM 26 CB ASP A 3 -18.951 86.474 -5.017 1.00 38.65 C ATOM 27 CG ASP A 3 -19.063 87.903 -5.489 1.00 52.07 C ATOM 28 OD1 ASP A 3 -19.471 88.767 -4.684 1.00 56.95 O ATOM 29 OD2 ASP A 3 -18.761 88.158 -6.674 1.00 57.73 O ATOM 30 H ASP A 3 -16.741 86.806 -3.768 1.00 0.00 H ATOM 31 N PHE A 4 -18.342 83.995 -3.183 1.00 25.63 N ATOM 32 CA PHE A 4 -18.663 82.664 -2.691 1.00 24.92 C ATOM 33 C PHE A 4 -19.058 82.715 -1.220 1.00 22.59 C ATOM 34 O PHE A 4 -20.089 82.158 -0.819 1.00 25.21 O ATOM 35 CB PHE A 4 -17.486 81.713 -2.885 1.00 28.75 C ATOM 36 CG PHE A 4 -17.676 80.407 -2.175 1.00 24.49 C ATOM 37 CD1 PHE A 4 -17.025 80.143 -0.977 1.00 22.96 C ATOM 38 CD2 PHE A 4 -18.560 79.461 -2.680 1.00 29.90 C ATOM 39 CE1 PHE A 4 -17.221 78.936 -0.317 1.00 23.83 C ATOM 40 CE2 PHE A 4 -18.766 78.271 -2.022 1.00 33.28 C ATOM 41 CZ PHE A 4 -18.096 78.010 -0.833 1.00 26.01 C ATOM 42 H PHE A 4 -17.416 84.190 -3.614 1.00 0.00 H ATOM 43 N VAL A 5 -18.252 83.392 -0.401 1.00 23.69 N ATOM 44 CA VAL A 5 -18.493 83.411 1.041 1.00 20.93 C ATOM 45 C VAL A 5 -19.851 84.030 1.339 1.00 18.87 C ATOM 46 O VAL A 5 -20.644 83.490 2.113 1.00 20.77 O ATOM 47 CB VAL A 5 -17.357 84.153 1.768 1.00 19.91 C ATOM 48 CG1 VAL A 5 -17.744 84.466 3.237 1.00 19.85 C ATOM 49 CG2 VAL A 5 -16.070 83.319 1.733 1.00 18.25 C ATOM 50 H VAL A 5 -17.442 83.913 -0.793 1.00 0.00 H ATOM 51 N ARG A 6 -20.152 85.160 0.703 1.00 21.94 N ATOM 52 CA ARG A 6 -21.387 85.854 1.040 1.00 25.72 C ATOM 53 C ARG A 6 -22.615 85.076 0.598 1.00 34.42 C ATOM 54 O ARG A 6 -23.685 85.229 1.196 1.00 26.86 O ATOM 55 CB ARG A 6 -21.370 87.260 0.444 1.00 20.70 C ATOM 56 CG ARG A 6 -20.286 88.131 1.101 1.00 20.68 C ATOM 57 CD ARG A 6 -20.367 89.618 0.684 1.00 26.67 C ATOM 58 NE ARG A 6 -19.163 90.331 1.100 1.00 24.45 N ATOM 59 CZ ARG A 6 -18.945 90.804 2.324 1.00 25.43 C ATOM 60 NH1 ARG A 6 -19.862 90.674 3.276 1.00 24.92 N ATOM 61 NH2 ARG A 6 -17.803 91.404 2.598 1.00 29.27 N ATOM 62 HE ARG A 6 -18.421 90.480 0.387 1.00 0.00 H ATOM 63 HH12 ARG A 6 -19.679 91.048 4.229 1.00 0.00 H ATOM 64 HH11 ARG A 6 -20.763 90.198 3.069 1.00 0.00 H ATOM 65 HH22 ARG A 6 -17.627 91.776 3.553 1.00 0.00 H ATOM 66 HH21 ARG A 6 -17.078 91.505 1.859 1.00 0.00 H ATOM 67 H ARG A 6 -19.514 85.542 -0.024 1.00 0.00 H ATOM 68 N GLN A 7 -22.495 84.221 -0.415 1.00 29.80 N ATOM 69 CA GLN A 7 -23.673 83.468 -0.811 1.00 27.37 C ATOM 70 C GLN A 7 -23.773 82.090 -0.166 1.00 29.95 C ATOM 71 O GLN A 7 -24.883 81.556 -0.075 1.00 42.68 O ATOM 72 CB GLN A 7 -23.759 83.357 -2.344 1.00 42.89 C ATOM 73 CG GLN A 7 -22.677 82.568 -3.054 1.00 45.21 C ATOM 74 CD GLN A 7 -22.874 82.568 -4.575 1.00 58.43 C ATOM 75 OE1 GLN A 7 -22.070 83.130 -5.327 1.00 58.82 O ATOM 76 NE2 GLN A 7 -23.954 81.939 -5.029 1.00 61.56 N ATOM 77 HE22 GLN A 7 -24.606 81.478 -4.363 1.00 0.00 H ATOM 78 HE21 GLN A 7 -24.147 81.908 -6.051 1.00 0.00 H ATOM 79 H GLN A 7 -21.587 84.096 -0.907 1.00 0.00 H ATOM 80 N CYS A 8 -22.683 81.506 0.333 1.00 28.30 N ATOM 81 CA CYS A 8 -22.788 80.149 0.872 1.00 22.03 C ATOM 82 C CYS A 8 -22.909 80.111 2.405 1.00 27.81 C ATOM 83 O CYS A 8 -23.256 79.058 2.961 1.00 24.07 O ATOM 84 CB CYS A 8 -21.588 79.308 0.416 1.00 24.86 C ATOM 85 SG CYS A 8 -22.019 77.508 0.122 1.00 37.47 S ATOM 86 H CYS A 8 -21.772 82.007 0.339 1.00 0.00 H ATOM 87 N PHE A 9 -22.652 81.217 3.107 1.00 22.63 N ATOM 88 CA PHE A 9 -22.713 81.245 4.568 1.00 17.59 C ATOM 89 C PHE A 9 -23.790 82.201 5.069 1.00 21.31 C ATOM 90 O PHE A 9 -24.005 83.280 4.500 1.00 19.26 O ATOM 91 CB PHE A 9 -21.357 81.645 5.187 1.00 17.34 C ATOM 92 CG PHE A 9 -20.290 80.617 4.964 1.00 16.24 C ATOM 93 CD1 PHE A 9 -20.255 79.454 5.730 1.00 16.81 C ATOM 94 CD2 PHE A 9 -19.351 80.792 3.971 1.00 16.85 C ATOM 95 CE1 PHE A 9 -19.271 78.476 5.508 1.00 18.08 C ATOM 96 CE2 PHE A 9 -18.373 79.810 3.724 1.00 19.40 C ATOM 97 CZ PHE A 9 -18.342 78.654 4.497 1.00 19.91 C ATOM 98 H PHE A 9 -22.400 82.088 2.598 1.00 0.00 H ATOM 99 N ASN A 10 -24.428 81.794 6.160 1.00 16.71 N ATOM 100 CA ASN A 10 -25.459 82.579 6.827 1.00 21.23 C ATOM 101 C ASN A 10 -24.938 83.991 7.142 1.00 17.82 C ATOM 102 O ASN A 10 -23.768 84.150 7.508 1.00 16.67 O ATOM 103 CB ASN A 10 -25.866 81.823 8.100 1.00 25.65 C ATOM 104 CG ASN A 10 -26.870 82.543 8.928 1.00 42.43 C ATOM 105 OD1 ASN A 10 -26.610 83.614 9.438 1.00 44.50 O ATOM 106 ND2 ASN A 10 -28.049 81.946 9.075 1.00 50.96 N ATOM 107 HD22 ASN A 10 -28.228 81.028 8.620 1.00 0.00 H ATOM 108 HD21 ASN A 10 -28.793 82.397 9.645 1.00 0.00 H ATOM 109 H ASN A 10 -24.179 80.867 6.559 1.00 0.00 H ATOM 110 N PRO A 11 -25.759 85.032 6.979 1.00 16.05 N ATOM 111 CA PRO A 11 -25.280 86.399 7.259 1.00 15.30 C ATOM 112 C PRO A 11 -24.774 86.602 8.667 1.00 13.90 C ATOM 113 O PRO A 11 -23.952 87.495 8.873 1.00 13.20 O ATOM 114 CB PRO A 11 -26.517 87.267 6.993 1.00 16.37 C ATOM 115 CG PRO A 11 -27.297 86.474 5.984 1.00 17.91 C ATOM 116 CD PRO A 11 -27.028 85.027 6.225 1.00 19.40 C ATOM 117 N MET A 12 -25.300 85.875 9.660 1.00 13.67 N ATOM 118 CA MET A 12 -24.765 86.011 11.013 1.00 12.52 C ATOM 119 C MET A 12 -23.320 85.537 11.065 1.00 11.69 C ATOM 120 O MET A 12 -22.464 86.159 11.703 1.00 10.84 O ATOM 121 CB MET A 12 -25.600 85.192 12.000 1.00 15.80 C ATOM 122 CG MET A 12 -26.991 85.737 12.238 1.00 37.81 C ATOM 123 SD MET A 12 -28.126 85.644 10.825 1.00 53.68 S ATOM 124 CE MET A 12 -29.120 84.194 11.215 1.00 50.02 C ATOM 125 H MET A 12 -26.084 85.218 9.470 1.00 0.00 H ATOM 126 N ILE A 13 -23.044 84.415 10.408 1.00 12.09 N ATOM 127 CA ILE A 13 -21.674 83.906 10.331 1.00 11.58 C ATOM 128 C ILE A 13 -20.775 84.901 9.608 1.00 15.35 C ATOM 129 O ILE A 13 -19.645 85.186 10.045 1.00 10.70 O ATOM 130 CB ILE A 13 -21.681 82.538 9.626 1.00 12.40 C ATOM 131 CG1 ILE A 13 -22.304 81.495 10.555 1.00 16.25 C ATOM 132 CG2 ILE A 13 -20.237 82.132 9.173 1.00 12.25 C ATOM 133 CD1 ILE A 13 -22.406 80.113 9.910 1.00 22.13 C ATOM 134 H ILE A 13 -23.812 83.891 9.942 1.00 0.00 H ATOM 135 N VAL A 14 -21.244 85.417 8.467 1.00 12.26 N ATOM 136 CA VAL A 14 -20.435 86.358 7.692 1.00 12.38 C ATOM 137 C VAL A 14 -20.110 87.595 8.523 1.00 11.58 C ATOM 138 O VAL A 14 -18.971 88.087 8.526 1.00 11.43 O ATOM 139 CB VAL A 14 -21.166 86.720 6.395 1.00 13.67 C ATOM 140 CG1 VAL A 14 -20.437 87.863 5.702 1.00 13.92 C ATOM 141 CG2 VAL A 14 -21.279 85.465 5.491 1.00 14.66 C ATOM 142 H VAL A 14 -22.190 85.148 8.128 1.00 0.00 H ATOM 143 N GLU A 15 -21.095 88.115 9.250 1.00 11.48 N ATOM 144 CA GLU A 15 -20.842 89.297 10.076 1.00 10.93 C ATOM 145 C GLU A 15 -19.806 89.013 11.170 1.00 9.93 C ATOM 146 O GLU A 15 -18.928 89.848 11.432 1.00 9.64 O ATOM 147 CB GLU A 15 -22.160 89.797 10.684 1.00 11.23 C ATOM 148 CG GLU A 15 -22.005 91.040 11.545 1.00 14.30 C ATOM 149 CD GLU A 15 -21.692 92.304 10.735 1.00 28.02 C ATOM 150 OE1 GLU A 15 -22.099 92.403 9.556 1.00 24.19 O ATOM 151 OE2 GLU A 15 -21.035 93.204 11.311 1.00 31.04 O ATOM 152 H GLU A 15 -22.041 87.684 9.232 1.00 0.00 H ATOM 153 N LEU A 16 -19.895 87.856 11.830 1.00 9.61 N ATOM 154 CA LEU A 16 -18.924 87.538 12.880 1.00 8.86 C ATOM 155 C LEU A 16 -17.530 87.406 12.304 1.00 8.76 C ATOM 156 O LEU A 16 -16.546 87.840 12.914 1.00 9.13 O ATOM 157 CB LEU A 16 -19.313 86.241 13.600 1.00 9.19 C ATOM 158 CG LEU A 16 -20.509 86.303 14.543 1.00 18.74 C ATOM 159 CD1 LEU A 16 -20.999 84.873 14.841 1.00 19.76 C ATOM 160 CD2 LEU A 16 -20.070 87.018 15.812 1.00 15.98 C ATOM 161 H LEU A 16 -20.652 87.182 11.599 1.00 0.00 H ATOM 162 N ALA A 17 -17.433 86.797 11.128 1.00 9.33 N ATOM 163 CA ALA A 17 -16.134 86.616 10.487 1.00 10.80 C ATOM 164 C ALA A 17 -15.536 87.953 10.068 1.00 14.47 C ATOM 165 O ALA A 17 -14.331 88.170 10.246 1.00 10.82 O ATOM 166 CB ALA A 17 -16.281 85.680 9.287 1.00 10.35 C ATOM 167 H ALA A 17 -18.292 86.445 10.659 1.00 0.00 H ATOM 168 N GLU A 18 -16.347 88.862 9.503 1.00 10.32 N ATOM 169 CA GLU A 18 -15.824 90.193 9.189 1.00 10.94 C ATOM 170 C GLU A 18 -15.292 90.873 10.431 1.00 10.30 C ATOM 171 O GLU A 18 -14.238 91.527 10.404 1.00 10.80 O ATOM 172 CB GLU A 18 -16.905 91.081 8.569 1.00 14.98 C ATOM 173 CG GLU A 18 -17.347 90.699 7.191 1.00 18.62 C ATOM 174 CD GLU A 18 -18.486 91.609 6.708 1.00 32.73 C ATOM 175 OE1 GLU A 18 -19.065 92.357 7.546 1.00 43.51 O ATOM 176 OE2 GLU A 18 -18.799 91.595 5.514 1.00 31.84 O ATOM 177 H GLU A 18 -17.337 88.623 9.291 1.00 0.00 H ATOM 178 N LYS A 19 -16.030 90.763 11.531 1.00 9.43 N ATOM 179 CA LYS A 19 -15.619 91.448 12.738 1.00 9.02 C ATOM 180 C LYS A 19 -14.311 90.870 13.264 1.00 8.86 C ATOM 181 O LYS A 19 -13.424 91.616 13.683 1.00 11.01 O ATOM 182 CB LYS A 19 -16.729 91.335 13.780 1.00 11.61 C ATOM 183 CG LYS A 19 -16.356 91.969 15.082 1.00 18.71 C ATOM 184 CD LYS A 19 -17.489 91.840 16.090 1.00 25.18 C ATOM 185 CE LYS A 19 -17.155 92.577 17.365 1.00 31.52 C ATOM 186 NZ LYS A 19 -18.346 93.328 17.843 1.00 46.95 N ATOM 187 HZ1 LYS A 19 -18.637 94.013 17.117 1.00 0.00 H ATOM 188 HZ2 LYS A 19 -19.124 92.662 18.025 1.00 0.00 H ATOM 189 HZ3 LYS A 19 -18.107 93.832 18.721 1.00 0.00 H ATOM 190 H LYS A 19 -16.897 90.189 11.524 1.00 0.00 H ATOM 191 N ALA A 20 -14.171 89.540 13.221 1.00 10.22 N ATOM 192 CA ALA A 20 -12.944 88.908 13.687 1.00 9.62 C ATOM 193 C ALA A 20 -11.749 89.385 12.880 1.00 14.59 C ATOM 194 O ALA A 20 -10.693 89.690 13.443 1.00 15.55 O ATOM 195 CB ALA A 20 -13.074 87.388 13.604 1.00 10.31 C ATOM 196 H ALA A 20 -14.945 88.952 12.852 1.00 0.00 H ATOM 197 N MET A 21 -11.898 89.477 11.561 1.00 10.35 N ATOM 198 CA MET A 21 -10.787 89.943 10.731 1.00 15.05 C ATOM 199 C MET A 21 -10.460 91.402 10.992 1.00 18.74 C ATOM 200 O MET A 21 -9.283 91.780 11.047 1.00 15.08 O ATOM 201 CB MET A 21 -11.117 89.730 9.261 1.00 14.33 C ATOM 202 CG MET A 21 -11.206 88.217 8.943 1.00 15.76 C ATOM 203 SD MET A 21 -11.425 87.928 7.224 1.00 18.06 S ATOM 204 CE MET A 21 -9.785 88.345 6.564 1.00 16.87 C ATOM 205 H MET A 21 -12.804 89.218 11.120 1.00 0.00 H ATOM 206 N LYS A 22 -11.479 92.249 11.105 1.00 11.73 N ATOM 207 CA LYS A 22 -11.212 93.673 11.274 1.00 12.44 C ATOM 208 C LYS A 22 -10.576 93.962 12.629 1.00 12.12 C ATOM 209 O LYS A 22 -9.858 94.965 12.783 1.00 13.07 O ATOM 210 CB LYS A 22 -12.515 94.454 11.073 1.00 12.36 C ATOM 211 CG LYS A 22 -12.942 94.437 9.582 1.00 14.50 C ATOM 212 CD LYS A 22 -14.358 94.960 9.375 1.00 21.00 C ATOM 213 CE LYS A 22 -14.468 96.423 9.734 1.00 30.36 C ATOM 214 NZ LYS A 22 -15.914 96.851 9.698 1.00 44.59 N ATOM 215 HZ1 LYS A 22 -16.295 96.701 8.742 1.00 0.00 H ATOM 216 HZ2 LYS A 22 -16.458 96.287 10.381 1.00 0.00 H ATOM 217 HZ3 LYS A 22 -15.982 97.859 9.946 1.00 0.00 H ATOM 218 H LYS A 22 -12.458 91.899 11.073 1.00 0.00 H ATOM 219 N GLU A 23 -10.833 93.108 13.628 1.00 11.03 N ATOM 220 CA GLU A 23 -10.213 93.294 14.942 1.00 10.93 C ATOM 221 C GLU A 23 -8.711 93.037 14.912 1.00 11.89 C ATOM 222 O GLU A 23 -8.014 93.418 15.865 1.00 12.30 O ATOM 223 CB GLU A 23 -10.871 92.363 15.965 1.00 10.56 C ATOM 224 CG GLU A 23 -12.262 92.829 16.347 1.00 11.62 C ATOM 225 CD GLU A 23 -12.954 91.875 17.330 1.00 18.40 C ATOM 226 OE1 GLU A 23 -13.948 92.291 17.954 1.00 20.39 O ATOM 227 OE2 GLU A 23 -12.517 90.712 17.449 1.00 19.15 O ATOM 228 H GLU A 23 -11.477 92.307 13.470 1.00 0.00 H ATOM 229 N TYR A 24 -8.202 92.447 13.829 1.00 14.09 N ATOM 230 CA TYR A 24 -6.768 92.247 13.635 1.00 13.77 C ATOM 231 C TYR A 24 -6.236 93.044 12.450 1.00 19.84 C ATOM 232 O TYR A 24 -5.125 92.791 11.965 1.00 21.45 O ATOM 233 CB TYR A 24 -6.486 90.744 13.510 1.00 17.59 C ATOM 234 CG TYR A 24 -6.666 90.097 14.859 1.00 19.44 C ATOM 235 CD1 TYR A 24 -5.611 90.029 15.768 1.00 32.18 C ATOM 236 CD2 TYR A 24 -7.914 89.637 15.267 1.00 17.31 C ATOM 237 CE1 TYR A 24 -5.788 89.491 17.020 1.00 31.12 C ATOM 238 CE2 TYR A 24 -8.102 89.089 16.515 1.00 26.84 C ATOM 239 CZ TYR A 24 -7.039 89.020 17.395 1.00 40.30 C ATOM 240 OH TYR A 24 -7.235 88.485 18.659 1.00 43.63 O ATOM 241 HH TYR A 24 -6.382 88.508 19.162 1.00 0.00 H ATOM 242 H TYR A 24 -8.855 92.115 13.091 1.00 0.00 H ATOM 243 N GLY A 25 -6.992 94.040 11.997 1.00 15.32 N ATOM 244 CA GLY A 25 -6.538 94.875 10.908 1.00 16.99 C ATOM 245 C GLY A 25 -6.555 94.217 9.550 1.00 17.63 C ATOM 246 O GLY A 25 -5.878 94.706 8.653 1.00 21.17 O ATOM 247 H GLY A 25 -7.920 94.220 12.431 1.00 0.00 H ATOM 248 N GLU A 26 -7.305 93.115 9.372 1.00 16.45 N ATOM 249 CA GLU A 26 -7.400 92.420 8.096 1.00 20.86 C ATOM 250 C GLU A 26 -8.694 92.775 7.377 1.00 22.40 C ATOM 251 O GLU A 26 -9.748 92.926 7.997 1.00 21.76 O ATOM 252 CB GLU A 26 -7.317 90.905 8.296 1.00 26.24 C ATOM 253 CG GLU A 26 -5.994 90.452 8.895 1.00 32.54 C ATOM 254 CD GLU A 26 -6.071 89.081 9.564 1.00 42.24 C ATOM 255 OE1 GLU A 26 -5.015 88.576 9.987 1.00 41.22 O ATOM 256 OE2 GLU A 26 -7.180 88.510 9.676 1.00 43.10 O ATOM 257 H GLU A 26 -7.841 92.743 10.182 1.00 0.00 H ATOM 258 N ASP A 27 -8.610 92.897 6.059 1.00 22.81 N ATOM 259 CA ASP A 27 -9.753 93.280 5.242 1.00 19.46 C ATOM 260 C ASP A 27 -10.350 92.035 4.611 1.00 19.59 C ATOM 261 O ASP A 27 -9.661 91.352 3.830 1.00 22.53 O ATOM 262 CB ASP A 27 -9.331 94.264 4.157 1.00 25.29 C ATOM 263 CG ASP A 27 -10.517 94.861 3.393 1.00 40.79 C ATOM 264 OD1 ASP A 27 -11.625 94.280 3.389 1.00 30.65 O ATOM 265 OD2 ASP A 27 -10.337 95.931 2.772 1.00 40.67 O ATOM 266 H ASP A 27 -7.698 92.713 5.594 1.00 0.00 H ATOM 267 N PRO A 28 -11.614 91.717 4.896 1.00 22.09 N ATOM 268 CA PRO A 28 -12.216 90.497 4.323 1.00 22.41 C ATOM 269 C PRO A 28 -12.280 90.494 2.807 1.00 23.34 C ATOM 270 O PRO A 28 -12.333 89.413 2.206 1.00 23.07 O ATOM 271 CB PRO A 28 -13.626 90.489 4.929 1.00 23.92 C ATOM 272 CG PRO A 28 -13.517 91.313 6.177 1.00 29.57 C ATOM 273 CD PRO A 28 -12.498 92.380 5.868 1.00 25.80 C ATOM 274 N LYS A 29 -12.295 91.663 2.168 1.00 21.45 N ATOM 275 CA LYS A 29 -12.319 91.739 0.712 1.00 24.01 C ATOM 276 C LYS A 29 -10.961 91.467 0.086 1.00 30.55 C ATOM 277 O LYS A 29 -10.890 91.261 -1.132 1.00 34.68 O ATOM 278 CB LYS A 29 -12.817 93.116 0.274 1.00 28.53 C ATOM 279 CG LYS A 29 -14.046 93.572 1.033 1.00 34.15 C ATOM 280 CD LYS A 29 -14.482 94.967 0.613 1.00 47.25 C ATOM 281 CE LYS A 29 -15.965 94.994 0.276 1.00 51.18 C ATOM 282 NZ LYS A 29 -16.288 94.070 -0.856 1.00 51.01 N ATOM 283 HZ1 LYS A 29 -15.753 94.358 -1.700 1.00 0.00 H ATOM 284 HZ2 LYS A 29 -16.027 93.098 -0.594 1.00 0.00 H ATOM 285 HZ3 LYS A 29 -17.307 94.114 -1.058 1.00 0.00 H ATOM 286 H LYS A 29 -12.289 92.543 2.722 1.00 0.00 H ATOM 287 N ILE A 30 -9.890 91.440 0.877 1.00 24.42 N ATOM 288 CA ILE A 30 -8.537 91.200 0.383 1.00 28.80 C ATOM 289 C ILE A 30 -8.034 89.812 0.775 1.00 27.11 C ATOM 290 O ILE A 30 -7.581 89.034 -0.070 1.00 26.37 O ATOM 291 CB ILE A 30 -7.578 92.300 0.887 1.00 29.62 C ATOM 292 CG1 ILE A 30 -7.998 93.649 0.302 1.00 32.46 C ATOM 293 CG2 ILE A 30 -6.139 91.943 0.545 1.00 34.68 C ATOM 294 CD1 ILE A 30 -7.627 94.841 1.157 1.00 43.56 C ATOM 295 H ILE A 30 -10.024 91.598 1.896 1.00 0.00 H ATOM 296 N GLU A 31 -8.101 89.489 2.062 1.00 23.95 N ATOM 297 CA GLU A 31 -7.706 88.176 2.558 1.00 23.64 C ATOM 298 C GLU A 31 -8.918 87.247 2.519 1.00 20.45 C ATOM 299 O GLU A 31 -9.469 86.823 3.530 1.00 18.70 O ATOM 300 CB GLU A 31 -7.122 88.312 3.956 1.00 21.31 C ATOM 301 CG GLU A 31 -6.126 89.478 4.036 1.00 33.16 C ATOM 302 CD GLU A 31 -5.079 89.278 5.110 1.00 50.11 C ATOM 303 OE1 GLU A 31 -4.536 88.155 5.210 1.00 56.98 O ATOM 304 OE2 GLU A 31 -4.808 90.244 5.859 1.00 55.14 O ATOM 305 H GLU A 31 -8.447 90.198 2.740 1.00 0.00 H ATOM 306 N THR A 32 -9.338 86.937 1.302 1.00 22.56 N ATOM 307 CA THR A 32 -10.603 86.239 1.163 1.00 21.00 C ATOM 308 C THR A 32 -10.498 84.775 1.573 1.00 21.52 C ATOM 309 O THR A 32 -11.496 84.195 1.989 1.00 19.31 O ATOM 310 CB THR A 32 -11.111 86.375 -0.262 1.00 27.17 C ATOM 311 OG1 THR A 32 -10.111 85.887 -1.165 1.00 26.55 O ATOM 312 CG2 THR A 32 -11.377 87.845 -0.563 1.00 27.56 C ATOM 313 HG1 THR A 32 -10.438 85.974 -2.096 1.00 0.00 H ATOM 314 H THR A 32 -8.774 87.188 0.465 1.00 0.00 H ATOM 315 N ASN A 33 -9.318 84.153 1.479 1.00 24.12 N ATOM 316 CA ASN A 33 -9.219 82.763 1.933 1.00 24.29 C ATOM 317 C ASN A 33 -9.372 82.679 3.450 1.00 18.99 C ATOM 318 O ASN A 33 -10.011 81.756 3.978 1.00 19.55 O ATOM 319 CB ASN A 33 -7.884 82.134 1.501 1.00 22.70 C ATOM 320 CG ASN A 33 -7.813 81.836 0.005 1.00 29.97 C ATOM 321 OD1 ASN A 33 -6.748 81.969 -0.615 1.00 32.65 O ATOM 322 ND2 ASN A 33 -8.933 81.439 -0.582 1.00 24.95 N ATOM 323 HD22 ASN A 33 -9.805 81.340 -0.025 1.00 0.00 H ATOM 324 HD21 ASN A 33 -8.939 81.226 -1.600 1.00 0.00 H ATOM 325 H ASN A 33 -8.488 84.645 1.092 1.00 0.00 H ATOM 326 N LYS A 34 -8.781 83.628 4.169 1.00 18.45 N ATOM 327 CA LYS A 34 -8.958 83.685 5.617 1.00 21.92 C ATOM 328 C LYS A 34 -10.421 83.902 5.979 1.00 17.86 C ATOM 329 O LYS A 34 -10.943 83.264 6.903 1.00 14.28 O ATOM 330 CB LYS A 34 -8.089 84.805 6.199 1.00 20.65 C ATOM 331 CG LYS A 34 -8.050 84.847 7.727 1.00 34.92 C ATOM 332 CD LYS A 34 -6.939 85.755 8.230 1.00 40.67 C ATOM 333 CE LYS A 34 -5.649 85.561 7.428 1.00 40.70 C ATOM 334 NZ LYS A 34 -4.506 86.333 8.003 1.00 46.65 N ATOM 335 HZ1 LYS A 34 -4.739 87.347 8.002 1.00 0.00 H ATOM 336 HZ2 LYS A 34 -4.332 86.017 8.978 1.00 0.00 H ATOM 337 HZ3 LYS A 34 -3.655 86.171 7.427 1.00 0.00 H ATOM 338 H LYS A 34 -8.186 84.337 3.695 1.00 0.00 H ATOM 339 N PHE A 35 -11.081 84.810 5.261 1.00 16.56 N ATOM 340 CA PHE A 35 -12.513 85.067 5.408 1.00 17.68 C ATOM 341 C PHE A 35 -13.299 83.768 5.312 1.00 14.65 C ATOM 342 O PHE A 35 -14.097 83.445 6.205 1.00 15.72 O ATOM 343 CB PHE A 35 -12.917 86.062 4.309 1.00 15.87 C ATOM 344 CG PHE A 35 -14.295 86.671 4.426 1.00 15.22 C ATOM 345 CD1 PHE A 35 -15.000 86.715 5.617 1.00 13.92 C ATOM 346 CD2 PHE A 35 -14.865 87.263 3.299 1.00 25.89 C ATOM 347 CE1 PHE A 35 -16.245 87.336 5.672 1.00 16.05 C ATOM 348 CE2 PHE A 35 -16.115 87.857 3.350 1.00 26.51 C ATOM 349 CZ PHE A 35 -16.807 87.891 4.548 1.00 20.97 C ATOM 350 H PHE A 35 -10.550 85.365 4.560 1.00 0.00 H ATOM 351 N ALA A 36 -13.067 83.002 4.233 1.00 16.01 N ATOM 352 CA ALA A 36 -13.730 81.708 4.043 1.00 16.28 C ATOM 353 C ALA A 36 -13.428 80.741 5.182 1.00 15.48 C ATOM 354 O ALA A 36 -14.325 80.025 5.656 1.00 17.05 O ATOM 355 CB ALA A 36 -13.303 81.087 2.703 1.00 18.16 C ATOM 356 H ALA A 36 -12.397 83.337 3.511 1.00 0.00 H ATOM 357 N ALA A 37 -12.170 80.681 5.628 1.00 15.57 N ATOM 358 CA ALA A 37 -11.820 79.709 6.663 1.00 16.70 C ATOM 359 C ALA A 37 -12.495 80.040 7.989 1.00 15.89 C ATOM 360 O ALA A 37 -12.962 79.145 8.707 1.00 15.31 O ATOM 361 CB ALA A 37 -10.303 79.666 6.838 1.00 17.72 C ATOM 362 H ALA A 37 -11.446 81.320 5.242 1.00 0.00 H ATOM 363 N ILE A 38 -12.531 81.316 8.351 1.00 13.38 N ATOM 364 CA ILE A 38 -13.192 81.698 9.597 1.00 12.55 C ATOM 365 C ILE A 38 -14.677 81.342 9.547 1.00 11.49 C ATOM 366 O ILE A 38 -15.239 80.830 10.526 1.00 11.13 O ATOM 367 CB ILE A 38 -12.975 83.196 9.877 1.00 11.29 C ATOM 368 CG1 ILE A 38 -11.491 83.460 10.137 1.00 11.46 C ATOM 369 CG2 ILE A 38 -13.847 83.667 11.053 1.00 12.39 C ATOM 370 CD1 ILE A 38 -11.146 84.936 10.109 1.00 14.83 C ATOM 371 H ILE A 38 -12.090 82.042 7.750 1.00 0.00 H ATOM 372 N CYS A 39 -15.332 81.617 8.410 1.00 12.12 N ATOM 373 CA CYS A 39 -16.747 81.272 8.261 1.00 12.44 C ATOM 374 C CYS A 39 -16.957 79.775 8.399 1.00 13.08 C ATOM 375 O CYS A 39 -17.945 79.323 8.992 1.00 13.06 O ATOM 376 CB CYS A 39 -17.269 81.722 6.902 1.00 13.34 C ATOM 377 SG CYS A 39 -17.536 83.501 6.743 1.00 14.23 S ATOM 378 H CYS A 39 -14.830 82.080 7.626 1.00 0.00 H ATOM 379 N THR A 40 -16.068 78.993 7.798 1.00 13.90 N ATOM 380 CA THR A 40 -16.248 77.546 7.814 1.00 14.80 C ATOM 381 C THR A 40 -16.133 77.009 9.241 1.00 14.18 C ATOM 382 O THR A 40 -16.930 76.168 9.669 1.00 14.58 O ATOM 383 CB THR A 40 -15.208 76.903 6.890 1.00 16.81 C ATOM 384 OG1 THR A 40 -15.441 77.305 5.530 1.00 16.84 O ATOM 385 CG2 THR A 40 -15.323 75.382 6.933 1.00 19.97 C ATOM 386 HG1 THR A 40 -15.372 78.290 5.462 1.00 0.00 H ATOM 387 H THR A 40 -15.246 79.411 7.317 1.00 0.00 H ATOM 388 N HIS A 41 -15.145 77.498 9.996 1.00 13.39 N ATOM 389 CA HIS A 41 -14.963 77.038 11.358 1.00 12.98 C ATOM 390 C HIS A 41 -16.161 77.418 12.217 1.00 12.29 C ATOM 391 O HIS A 41 -16.652 76.603 12.995 1.00 12.57 O ATOM 392 CB HIS A 41 -13.654 77.609 11.904 1.00 12.85 C ATOM 393 CG HIS A 41 -13.512 77.543 13.397 1.00 15.03 C ATOM 394 ND1 HIS A 41 -13.974 78.522 14.244 1.00 18.20 N ATOM 395 CD2 HIS A 41 -12.982 76.581 14.176 1.00 10.90 C ATOM 396 CE1 HIS A 41 -13.734 78.165 15.507 1.00 12.26 C ATOM 397 NE2 HIS A 41 -13.130 76.992 15.477 1.00 13.89 N ATOM 398 H HIS A 41 -14.502 78.214 9.603 1.00 0.00 H ATOM 399 N LEU A 42 -16.666 78.642 12.056 1.00 11.95 N ATOM 400 CA LEU A 42 -17.890 79.036 12.759 1.00 11.20 C ATOM 401 C LEU A 42 -19.051 78.101 12.417 1.00 12.19 C ATOM 402 O LEU A 42 -19.780 77.633 13.304 1.00 13.26 O ATOM 403 CB LEU A 42 -18.246 80.482 12.398 1.00 10.66 C ATOM 404 CG LEU A 42 -17.488 81.582 13.120 1.00 24.78 C ATOM 405 CD1 LEU A 42 -17.697 82.949 12.426 1.00 20.70 C ATOM 406 CD2 LEU A 42 -17.946 81.631 14.576 1.00 32.87 C ATOM 407 H LEU A 42 -16.189 79.320 11.428 1.00 0.00 H ATOM 408 N GLU A 43 -19.260 77.823 11.130 1.00 12.99 N ATOM 409 CA GLU A 43 -20.402 76.981 10.796 1.00 14.07 C ATOM 410 C GLU A 43 -20.254 75.597 11.413 1.00 14.74 C ATOM 411 O GLU A 43 -21.225 75.048 11.934 1.00 15.28 O ATOM 412 CB GLU A 43 -20.599 76.873 9.291 1.00 25.02 C ATOM 413 CG GLU A 43 -21.989 76.280 9.007 1.00 33.17 C ATOM 414 CD GLU A 43 -22.351 76.186 7.540 1.00 35.75 C ATOM 415 OE1 GLU A 43 -21.847 76.979 6.724 1.00 42.73 O ATOM 416 OE2 GLU A 43 -23.157 75.293 7.206 1.00 47.41 O ATOM 417 H GLU A 43 -18.630 78.194 10.390 1.00 0.00 H ATOM 418 N VAL A 44 -19.034 75.043 11.405 1.00 14.86 N ATOM 419 CA VAL A 44 -18.811 73.726 12.011 1.00 15.69 C ATOM 420 C VAL A 44 -19.087 73.772 13.509 1.00 15.12 C ATOM 421 O VAL A 44 -19.732 72.874 14.060 1.00 15.97 O ATOM 422 CB VAL A 44 -17.386 73.214 11.721 1.00 16.09 C ATOM 423 CG1 VAL A 44 -17.115 71.936 12.556 1.00 17.95 C ATOM 424 CG2 VAL A 44 -17.222 72.916 10.238 1.00 17.11 C ATOM 425 H VAL A 44 -18.239 75.550 10.966 1.00 0.00 H ATOM 426 N CYS A 45 -18.623 74.824 14.197 1.00 13.84 N ATOM 427 CA CYS A 45 -18.920 74.936 15.633 1.00 15.53 C ATOM 428 C CYS A 45 -20.422 74.932 15.896 1.00 14.11 C ATOM 429 O CYS A 45 -20.909 74.244 16.807 1.00 14.40 O ATOM 430 CB CYS A 45 -18.307 76.210 16.211 1.00 12.14 C ATOM 431 SG CYS A 45 -16.519 76.134 16.373 1.00 13.32 S ATOM 432 H CYS A 45 -18.058 75.555 13.720 1.00 0.00 H ATOM 433 N PHE A 46 -21.180 75.708 15.107 1.00 13.59 N ATOM 434 CA PHE A 46 -22.627 75.768 15.306 1.00 18.68 C ATOM 435 C PHE A 46 -23.294 74.428 14.976 1.00 22.69 C ATOM 436 O PHE A 46 -24.184 73.970 15.707 1.00 20.59 O ATOM 437 CB PHE A 46 -23.223 76.898 14.469 1.00 17.26 C ATOM 438 CG PHE A 46 -22.735 78.293 14.861 1.00 16.61 C ATOM 439 CD1 PHE A 46 -22.033 78.512 16.026 1.00 29.77 C ATOM 440 CD2 PHE A 46 -22.986 79.379 14.036 1.00 29.06 C ATOM 441 CE1 PHE A 46 -21.602 79.800 16.381 1.00 36.45 C ATOM 442 CE2 PHE A 46 -22.563 80.656 14.376 1.00 30.33 C ATOM 443 CZ PHE A 46 -21.865 80.864 15.549 1.00 33.17 C ATOM 444 H PHE A 46 -20.737 76.269 14.351 1.00 0.00 H ATOM 445 N MET A 47 -22.876 73.776 13.885 1.00 19.04 N ATOM 446 CA MET A 47 -23.380 72.449 13.561 1.00 18.05 C ATOM 447 C MET A 47 -23.092 71.449 14.668 1.00 26.45 C ATOM 448 O MET A 47 -23.935 70.595 14.968 1.00 25.84 O ATOM 449 CB MET A 47 -22.767 71.932 12.252 1.00 18.77 C ATOM 450 CG MET A 47 -23.281 72.630 11.009 1.00 25.25 C ATOM 451 SD MET A 47 -22.559 71.860 9.535 1.00 29.40 S ATOM 452 CE MET A 47 -23.452 70.316 9.428 1.00 33.45 C ATOM 453 H MET A 47 -22.179 74.225 13.257 1.00 0.00 H ATOM 454 N TYR A 48 -21.874 71.488 15.220 1.00 17.89 N ATOM 455 CA TYR A 48 -21.489 70.570 16.285 1.00 18.80 C ATOM 456 C TYR A 48 -22.406 70.728 17.485 1.00 19.13 C ATOM 457 O TYR A 48 -22.898 69.738 18.040 1.00 27.09 O ATOM 458 CB TYR A 48 -20.039 70.836 16.668 1.00 19.49 C ATOM 459 CG TYR A 48 -19.270 69.709 17.313 1.00 20.49 C ATOM 460 CD1 TYR A 48 -19.520 69.347 18.630 1.00 20.16 C ATOM 461 CD2 TYR A 48 -18.265 69.041 16.623 1.00 20.00 C ATOM 462 CE1 TYR A 48 -18.814 68.343 19.244 1.00 21.63 C ATOM 463 CE2 TYR A 48 -17.528 68.044 17.236 1.00 23.15 C ATOM 464 CZ TYR A 48 -17.820 67.696 18.556 1.00 22.26 C ATOM 465 OH TYR A 48 -17.113 66.695 19.195 1.00 25.86 O ATOM 466 HH TYR A 48 -16.154 66.937 19.224 1.00 0.00 H ATOM 467 H TYR A 48 -21.185 72.190 14.881 1.00 0.00 H ATOM 468 N SER A 49 -22.653 71.970 17.892 1.00 17.78 N ATOM 469 CA SER A 49 -23.513 72.234 19.039 1.00 21.84 C ATOM 470 C SER A 49 -24.943 71.773 18.809 1.00 31.21 C ATOM 471 O SER A 49 -25.653 71.496 19.783 1.00 42.29 O ATOM 472 CB SER A 49 -23.470 73.718 19.372 1.00 30.64 C ATOM 473 OG SER A 49 -24.130 74.481 18.384 1.00 38.29 O ATOM 474 HG SER A 49 -23.688 74.340 17.510 1.00 0.00 H ATOM 475 H SER A 49 -22.224 72.768 17.382 1.00 0.00 H ATOM 476 N ASP A 50 -25.380 71.672 17.553 1.00 31.52 N ATOM 477 CA ASP A 50 -26.699 71.139 17.221 1.00 35.66 C ATOM 478 C ASP A 50 -26.742 69.617 17.146 1.00 43.29 C ATOM 479 O ASP A 50 -27.829 69.057 16.977 1.00 50.67 O ATOM 480 CB ASP A 50 -27.177 71.708 15.880 1.00 35.49 C ATOM 481 CG ASP A 50 -27.716 73.116 16.006 1.00 46.10 C ATOM 482 OD1 ASP A 50 -28.191 73.462 17.104 1.00 55.37 O ATOM 483 OD2 ASP A 50 -27.660 73.879 15.015 1.00 54.45 O ATOM 484 H ASP A 50 -24.758 71.985 16.780 1.00 0.00 H ATOM 485 N GLY A 51 -25.606 68.937 17.279 1.00 40.72 N ATOM 486 CA GLY A 51 -25.525 67.521 16.985 1.00 38.93 C ATOM 487 C GLY A 51 -25.943 66.584 18.094 1.00 42.93 C ATOM 488 O GLY A 51 -25.978 65.372 17.871 1.00 55.34 O ATOM 489 H GLY A 51 -24.753 69.436 17.603 1.00 0.00 H ATOM 490 N GLY A 52 -26.258 67.090 19.277 1.00 48.44 N ATOM 491 CA GLY A 52 -26.668 66.181 20.328 1.00 51.58 C ATOM 492 C GLY A 52 -28.069 66.451 20.831 1.00 49.19 C ATOM 493 O GLY A 52 -28.907 66.999 20.108 1.00 54.19 O ATOM 494 H GLY A 52 -26.212 68.115 19.447 1.00 0.00 H ATOM 495 N SER A 53 -28.336 66.069 22.073 1.00 49.62 N ATOM 496 CA SER A 53 -29.594 66.441 22.690 1.00 44.20 C ATOM 497 C SER A 53 -29.654 67.953 22.871 1.00 50.68 C ATOM 498 O SER A 53 -28.628 68.636 22.948 1.00 50.29 O ATOM 499 CB SER A 53 -29.754 65.749 24.040 1.00 46.74 C ATOM 500 OG SER A 53 -29.178 66.531 25.070 1.00 50.95 O ATOM 501 HG SER A 53 -29.628 67.412 25.105 1.00 0.00 H ATOM 502 H SER A 53 -27.643 65.503 22.604 1.00 0.00 H ATOM 503 N LYS A 73 -30.874 68.478 22.921 1.00 48.55 N ATOM 504 CA LYS A 73 -31.044 69.868 23.302 1.00 43.02 C ATOM 505 C LYS A 73 -30.405 70.078 24.667 1.00 46.24 C ATOM 506 O LYS A 73 -30.528 69.236 25.560 1.00 57.62 O ATOM 507 CB LYS A 73 -32.528 70.244 23.334 1.00 55.46 C ATOM 508 CG LYS A 73 -32.796 71.703 23.692 1.00 49.56 C ATOM 509 CD LYS A 73 -34.275 72.054 23.582 1.00 53.68 C ATOM 510 CE LYS A 73 -35.104 71.359 24.653 1.00 50.77 C ATOM 511 NZ LYS A 73 -36.505 71.887 24.706 1.00 50.41 N ATOM 512 HZ1 LYS A 73 -36.483 72.905 24.920 1.00 0.00 H ATOM 513 HZ2 LYS A 73 -36.967 71.735 23.787 1.00 0.00 H ATOM 514 HZ3 LYS A 73 -37.035 71.387 25.448 1.00 0.00 H ATOM 515 H LYS A 73 -31.703 67.895 22.688 1.00 0.00 H ATOM 516 N HIS A 74 -29.676 71.179 24.803 1.00 44.76 N ATOM 517 CA HIS A 74 -28.958 71.575 26.010 1.00 42.10 C ATOM 518 C HIS A 74 -27.674 70.787 26.229 1.00 34.36 C ATOM 519 O HIS A 74 -27.063 70.954 27.279 1.00 32.80 O ATOM 520 CB HIS A 74 -29.800 71.447 27.288 1.00 42.95 C ATOM 521 CG HIS A 74 -31.167 72.050 27.188 1.00 53.91 C ATOM 522 ND1 HIS A 74 -31.403 73.275 26.599 1.00 54.16 N ATOM 523 CD2 HIS A 74 -32.370 71.602 27.617 1.00 53.66 C ATOM 524 CE1 HIS A 74 -32.693 73.551 26.664 1.00 54.40 C ATOM 525 NE2 HIS A 74 -33.302 72.553 27.278 1.00 58.72 N ATOM 526 H HIS A 74 -29.611 71.812 23.981 1.00 0.00 H ATOM 527 N ARG A 75 -27.244 69.925 25.300 1.00 27.45 N ATOM 528 CA ARG A 75 -26.002 69.195 25.543 1.00 27.64 C ATOM 529 C ARG A 75 -24.783 70.124 25.529 1.00 32.85 C ATOM 530 O ARG A 75 -23.843 69.940 26.320 1.00 25.63 O ATOM 531 CB ARG A 75 -25.827 68.088 24.515 1.00 28.38 C ATOM 532 CG ARG A 75 -24.388 67.595 24.431 1.00 39.87 C ATOM 533 CD ARG A 75 -24.269 66.102 24.496 1.00 40.15 C ATOM 534 NE ARG A 75 -22.891 65.662 24.704 1.00 32.99 N ATOM 535 CZ ARG A 75 -22.384 64.553 24.179 1.00 38.42 C ATOM 536 NH1 ARG A 75 -23.149 63.781 23.415 1.00 40.37 N ATOM 537 NH2 ARG A 75 -21.121 64.206 24.421 1.00 33.21 N ATOM 538 HE ARG A 75 -22.272 66.251 25.297 1.00 0.00 H ATOM 539 HH12 ARG A 75 -22.759 62.911 23.000 1.00 0.00 H ATOM 540 HH11 ARG A 75 -24.138 64.047 23.232 1.00 0.00 H ATOM 541 HH22 ARG A 75 -20.732 63.335 24.006 1.00 0.00 H ATOM 542 HH21 ARG A 75 -20.524 64.806 25.025 1.00 0.00 H ATOM 543 H ARG A 75 -27.783 69.778 24.423 1.00 0.00 H ATOM 544 N PHE A 76 -24.770 71.117 24.640 1.00 23.22 N ATOM 545 CA PHE A 76 -23.598 71.965 24.461 1.00 21.20 C ATOM 546 C PHE A 76 -23.885 73.422 24.780 1.00 21.10 C ATOM 547 O PHE A 76 -25.003 73.915 24.599 1.00 23.71 O ATOM 548 CB PHE A 76 -23.065 71.889 23.026 1.00 20.05 C ATOM 549 CG PHE A 76 -22.642 70.523 22.624 1.00 21.39 C ATOM 550 CD1 PHE A 76 -21.460 69.985 23.100 1.00 21.87 C ATOM 551 CD2 PHE A 76 -23.420 69.772 21.768 1.00 24.53 C ATOM 552 CE1 PHE A 76 -21.057 68.704 22.733 1.00 23.35 C ATOM 553 CE2 PHE A 76 -23.024 68.480 21.395 1.00 26.76 C ATOM 554 CZ PHE A 76 -21.842 67.950 21.888 1.00 28.48 C ATOM 555 H PHE A 76 -25.616 71.291 24.060 1.00 0.00 H ATOM 556 N GLU A 77 -22.846 74.104 25.253 1.00 18.76 N ATOM 557 CA GLU A 77 -22.813 75.556 25.284 1.00 17.19 C ATOM 558 C GLU A 77 -21.821 76.019 24.232 1.00 15.52 C ATOM 559 O GLU A 77 -20.740 75.439 24.106 1.00 16.62 O ATOM 560 CB GLU A 77 -22.392 76.077 26.649 1.00 17.51 C ATOM 561 CG GLU A 77 -22.756 77.537 26.802 1.00 27.45 C ATOM 562 CD GLU A 77 -24.208 77.652 27.177 1.00 31.68 C ATOM 563 OE1 GLU A 77 -24.946 78.298 26.423 1.00 41.56 O ATOM 564 OE2 GLU A 77 -24.615 77.037 28.177 1.00 37.02 O ATOM 565 H GLU A 77 -22.025 73.577 25.615 1.00 0.00 H ATOM 566 N ILE A 78 -22.195 77.041 23.461 1.00 14.28 N ATOM 567 CA ILE A 78 -21.330 77.566 22.406 1.00 12.91 C ATOM 568 C ILE A 78 -20.533 78.698 23.025 1.00 12.55 C ATOM 569 O ILE A 78 -21.116 79.585 23.646 1.00 15.91 O ATOM 570 CB ILE A 78 -22.147 78.088 21.209 1.00 27.60 C ATOM 571 CG1 ILE A 78 -23.142 77.034 20.730 1.00 36.50 C ATOM 572 CG2 ILE A 78 -21.211 78.506 20.055 1.00 21.30 C ATOM 573 CD1 ILE A 78 -23.838 77.387 19.448 1.00 37.32 C ATOM 574 H ILE A 78 -23.127 77.476 23.614 1.00 0.00 H ATOM 575 N ILE A 79 -19.213 78.648 22.887 1.00 12.28 N ATOM 576 CA ILE A 79 -18.332 79.714 23.336 1.00 10.96 C ATOM 577 C ILE A 79 -17.816 80.525 22.158 1.00 9.86 C ATOM 578 O ILE A 79 -17.710 81.759 22.231 1.00 9.18 O ATOM 579 CB ILE A 79 -17.170 79.105 24.152 1.00 13.80 C ATOM 580 CG1 ILE A 79 -17.729 78.309 25.349 1.00 20.48 C ATOM 581 CG2 ILE A 79 -16.203 80.182 24.662 1.00 11.33 C ATOM 582 CD1 ILE A 79 -16.751 77.311 25.868 1.00 20.67 C ATOM 583 H ILE A 79 -18.791 77.810 22.438 1.00 0.00 H ATOM 584 N GLU A 80 -17.499 79.862 21.059 1.00 9.86 N ATOM 585 CA GLU A 80 -17.033 80.552 19.861 1.00 11.76 C ATOM 586 C GLU A 80 -18.157 81.439 19.318 1.00 9.18 C ATOM 587 O GLU A 80 -19.337 81.162 19.518 1.00 14.12 O ATOM 588 CB GLU A 80 -16.560 79.487 18.844 1.00 11.01 C ATOM 589 CG GLU A 80 -15.991 80.005 17.504 1.00 15.91 C ATOM 590 CD GLU A 80 -14.707 80.781 17.714 1.00 11.82 C ATOM 591 OE1 GLU A 80 -13.587 80.187 17.771 1.00 10.75 O ATOM 592 OE2 GLU A 80 -14.826 82.026 17.865 1.00 15.56 O ATOM 593 H GLU A 80 -17.584 78.826 21.048 1.00 0.00 H ATOM 594 N GLY A 81 -17.791 82.536 18.667 1.00 9.08 N ATOM 595 CA GLY A 81 -18.796 83.430 18.114 1.00 9.20 C ATOM 596 C GLY A 81 -19.328 84.482 19.079 1.00 21.04 C ATOM 597 O GLY A 81 -20.191 85.279 18.689 1.00 22.53 O ATOM 598 H GLY A 81 -16.781 82.757 18.552 1.00 0.00 H ATOM 599 N ARG A 82 -18.892 84.475 20.329 1.00 11.48 N ATOM 600 CA ARG A 82 -19.294 85.473 21.310 1.00 8.67 C ATOM 601 C ARG A 82 -18.204 86.516 21.425 1.00 12.33 C ATOM 602 O ARG A 82 -17.034 86.229 21.155 1.00 11.75 O ATOM 603 CB ARG A 82 -19.525 84.818 22.675 1.00 11.50 C ATOM 604 CG ARG A 82 -20.597 83.724 22.660 1.00 14.84 C ATOM 605 CD ARG A 82 -20.831 83.231 24.064 1.00 13.70 C ATOM 606 NE ARG A 82 -21.814 82.148 24.136 1.00 11.27 N ATOM 607 CZ ARG A 82 -23.115 82.334 24.297 1.00 27.06 C ATOM 608 NH1 ARG A 82 -23.613 83.568 24.392 1.00 21.80 N ATOM 609 NH2 ARG A 82 -23.915 81.274 24.373 1.00 22.97 N ATOM 610 HE ARG A 82 -21.468 81.170 24.056 1.00 0.00 H ATOM 611 HH12 ARG A 82 -24.636 83.708 24.518 1.00 0.00 H ATOM 612 HH11 ARG A 82 -22.978 84.390 24.340 1.00 0.00 H ATOM 613 HH22 ARG A 82 -24.939 81.403 24.499 1.00 0.00 H ATOM 614 HH21 ARG A 82 -23.516 80.316 24.306 1.00 0.00 H ATOM 615 H ARG A 82 -18.234 83.725 20.623 1.00 0.00 H ATOM 616 N ASP A 83 -18.584 87.737 21.808 1.00 8.13 N ATOM 617 CA ASP A 83 -17.544 88.707 22.099 1.00 7.89 C ATOM 618 C ASP A 83 -16.729 88.211 23.282 1.00 7.76 C ATOM 619 O ASP A 83 -17.171 87.343 24.043 1.00 10.28 O ATOM 620 CB ASP A 83 -18.125 90.094 22.374 1.00 13.56 C ATOM 621 CG ASP A 83 -19.001 90.149 23.624 1.00 34.33 C ATOM 622 OD1 ASP A 83 -18.479 90.171 24.779 1.00 15.72 O ATOM 623 OD2 ASP A 83 -20.245 90.215 23.455 1.00 41.79 O ATOM 624 H ASP A 83 -19.590 87.985 21.895 1.00 0.00 H ATOM 625 N ARG A 84 -15.510 88.753 23.429 1.00 7.92 N ATOM 626 CA ARG A 84 -14.583 88.186 24.419 1.00 8.76 C ATOM 627 C ARG A 84 -15.134 88.244 25.841 1.00 9.20 C ATOM 628 O ARG A 84 -14.949 87.301 26.630 1.00 9.84 O ATOM 629 CB ARG A 84 -13.256 88.934 24.364 1.00 8.97 C ATOM 630 CG ARG A 84 -12.555 88.745 23.015 1.00 9.70 C ATOM 631 CD ARG A 84 -11.380 89.744 22.930 1.00 15.52 C ATOM 632 NE ARG A 84 -10.631 89.533 21.679 1.00 23.75 N ATOM 633 CZ ARG A 84 -11.082 89.884 20.473 1.00 27.51 C ATOM 634 NH1 ARG A 84 -12.257 90.491 20.359 1.00 19.79 N ATOM 635 NH2 ARG A 84 -10.343 89.652 19.386 1.00 27.97 N ATOM 636 HE ARG A 84 -9.695 89.084 21.739 1.00 0.00 H ATOM 637 HH12 ARG A 84 -12.611 90.766 19.421 1.00 0.00 H ATOM 638 HH11 ARG A 84 -12.823 90.692 21.208 1.00 0.00 H ATOM 639 HH22 ARG A 84 -10.698 89.927 18.448 1.00 0.00 H ATOM 640 HH21 ARG A 84 -9.413 89.196 19.477 1.00 0.00 H ATOM 641 H ARG A 84 -15.224 89.567 22.848 1.00 0.00 H ATOM 642 N ILE A 85 -15.757 89.360 26.218 1.00 9.29 N ATOM 643 CA ILE A 85 -16.249 89.456 27.599 1.00 10.17 C ATOM 644 C ILE A 85 -17.313 88.383 27.867 1.00 10.39 C ATOM 645 O ILE A 85 -17.290 87.698 28.900 1.00 11.32 O ATOM 646 CB ILE A 85 -16.775 90.870 27.888 1.00 10.40 C ATOM 647 CG1 ILE A 85 -15.581 91.839 27.927 1.00 10.66 C ATOM 648 CG2 ILE A 85 -17.453 90.878 29.263 1.00 12.15 C ATOM 649 CD1 ILE A 85 -15.962 93.291 28.277 1.00 11.61 C ATOM 650 H ILE A 85 -15.892 90.145 25.550 1.00 0.00 H ATOM 651 N MET A 86 -18.253 88.216 26.939 1.00 9.79 N ATOM 652 CA MET A 86 -19.310 87.215 27.139 1.00 10.22 C ATOM 653 C MET A 86 -18.752 85.801 27.078 1.00 10.41 C ATOM 654 O MET A 86 -19.185 84.915 27.836 1.00 11.41 O ATOM 655 CB MET A 86 -20.406 87.391 26.087 1.00 9.74 C ATOM 656 CG MET A 86 -21.242 88.654 26.339 1.00 14.51 C ATOM 657 SD MET A 86 -21.996 88.684 27.991 1.00 25.59 S ATOM 658 CE MET A 86 -22.770 87.040 28.023 1.00 14.81 C ATOM 659 H MET A 86 -18.239 88.793 26.074 1.00 0.00 H ATOM 660 N ALA A 87 -17.791 85.559 26.176 1.00 9.74 N ATOM 661 CA ALA A 87 -17.179 84.241 26.088 1.00 10.10 C ATOM 662 C ALA A 87 -16.542 83.845 27.418 1.00 12.77 C ATOM 663 O ALA A 87 -16.755 82.731 27.909 1.00 12.16 O ATOM 664 CB ALA A 87 -16.138 84.215 24.961 1.00 9.44 C ATOM 665 H ALA A 87 -17.481 86.317 25.535 1.00 0.00 H ATOM 666 N TRP A 88 -15.779 84.764 28.038 1.00 11.44 N ATOM 667 CA TRP A 88 -15.132 84.430 29.305 1.00 12.77 C ATOM 668 C TRP A 88 -16.141 84.386 30.441 1.00 14.57 C ATOM 669 O TRP A 88 -15.931 83.672 31.426 1.00 15.18 O ATOM 670 CB TRP A 88 -14.005 85.448 29.623 1.00 12.93 C ATOM 671 CG TRP A 88 -12.732 85.117 28.885 1.00 12.78 C ATOM 672 CD1 TRP A 88 -12.165 85.810 27.845 1.00 11.92 C ATOM 673 CD2 TRP A 88 -11.878 83.986 29.127 1.00 13.79 C ATOM 674 NE1 TRP A 88 -11.008 85.161 27.420 1.00 13.31 N ATOM 675 CE2 TRP A 88 -10.817 84.043 28.195 1.00 15.64 C ATOM 676 CE3 TRP A 88 -11.910 82.934 30.054 1.00 15.17 C ATOM 677 CZ2 TRP A 88 -9.792 83.088 28.166 1.00 17.57 C ATOM 678 CZ3 TRP A 88 -10.899 81.974 30.017 1.00 21.06 C ATOM 679 CH2 TRP A 88 -9.851 82.066 29.085 1.00 21.59 C ATOM 680 HE1 TRP A 88 -10.390 85.472 26.643 1.00 0.00 H ATOM 681 H TRP A 88 -15.651 85.707 27.618 1.00 0.00 H ATOM 682 N THR A 89 -17.221 85.163 30.342 1.00 13.34 N ATOM 683 CA THR A 89 -18.269 85.048 31.351 1.00 14.52 C ATOM 684 C THR A 89 -18.860 83.646 31.340 1.00 15.22 C ATOM 685 O THR A 89 -19.097 83.058 32.414 1.00 16.82 O ATOM 686 CB THR A 89 -19.356 86.096 31.114 1.00 14.07 C ATOM 687 OG1 THR A 89 -18.761 87.402 31.130 1.00 13.63 O ATOM 688 CG2 THR A 89 -20.386 86.039 32.226 1.00 15.59 C ATOM 689 HG1 THR A 89 -18.079 87.461 30.415 1.00 0.00 H ATOM 690 H THR A 89 -17.315 85.840 29.558 1.00 0.00 H ATOM 691 N VAL A 90 -19.080 83.084 30.146 1.00 14.27 N ATOM 692 CA VAL A 90 -19.617 81.722 30.042 1.00 15.06 C ATOM 693 C VAL A 90 -18.613 80.708 30.580 1.00 16.26 C ATOM 694 O VAL A 90 -18.967 79.803 31.352 1.00 17.72 O ATOM 695 CB VAL A 90 -20.023 81.417 28.589 1.00 13.93 C ATOM 696 CG1 VAL A 90 -20.514 79.985 28.462 1.00 20.58 C ATOM 697 CG2 VAL A 90 -21.107 82.372 28.166 1.00 15.33 C ATOM 698 H VAL A 90 -18.868 83.619 29.280 1.00 0.00 H ATOM 699 N VAL A 91 -17.347 80.845 30.186 1.00 15.47 N ATOM 700 CA VAL A 91 -16.323 79.906 30.639 1.00 17.75 C ATOM 701 C VAL A 91 -16.189 79.937 32.156 1.00 18.39 C ATOM 702 O VAL A 91 -16.172 78.883 32.815 1.00 20.09 O ATOM 703 CB VAL A 91 -14.975 80.205 29.958 1.00 18.70 C ATOM 704 CG1 VAL A 91 -13.836 79.439 30.684 1.00 17.44 C ATOM 705 CG2 VAL A 91 -15.029 79.825 28.484 1.00 14.65 C ATOM 706 H VAL A 91 -17.086 81.626 29.551 1.00 0.00 H ATOM 707 N ASN A 92 -16.029 81.138 32.733 1.00 18.23 N ATOM 708 CA ASN A 92 -15.842 81.231 34.184 1.00 20.09 C ATOM 709 C ASN A 92 -17.080 80.753 34.927 1.00 21.45 C ATOM 710 O ASN A 92 -16.969 80.148 36.006 1.00 23.54 O ATOM 711 CB ASN A 92 -15.494 82.673 34.602 1.00 19.76 C ATOM 712 CG ASN A 92 -14.093 83.109 34.161 1.00 31.84 C ATOM 713 OD1 ASN A 92 -13.167 82.307 34.119 1.00 35.53 O ATOM 714 ND2 ASN A 92 -13.938 84.406 33.838 1.00 31.18 N ATOM 715 HD22 ASN A 92 -14.749 85.055 33.887 1.00 0.00 H ATOM 716 HD21 ASN A 92 -13.007 84.760 33.540 1.00 0.00 H ATOM 717 H ASN A 92 -16.038 82.001 32.152 1.00 0.00 H ATOM 718 N SER A 93 -18.274 81.006 34.370 1.00 20.57 N ATOM 719 CA SER A 93 -19.502 80.516 34.993 1.00 22.05 C ATOM 720 C SER A 93 -19.532 78.995 35.047 1.00 24.74 C ATOM 721 O SER A 93 -19.958 78.394 36.050 1.00 25.62 O ATOM 722 CB SER A 93 -20.711 81.041 34.221 1.00 32.26 C ATOM 723 OG SER A 93 -21.917 80.528 34.763 1.00 32.35 O ATOM 724 HG SER A 93 -22.685 80.881 34.248 1.00 0.00 H ATOM 725 H SER A 93 -18.326 81.555 33.488 1.00 0.00 H ATOM 726 N ILE A 94 -19.118 78.354 33.959 1.00 22.33 N ATOM 727 CA ILE A 94 -19.113 76.899 33.921 1.00 26.77 C ATOM 728 C ILE A 94 -18.087 76.359 34.904 1.00 26.83 C ATOM 729 O ILE A 94 -18.365 75.410 35.657 1.00 27.81 O ATOM 730 CB ILE A 94 -18.839 76.420 32.481 1.00 25.43 C ATOM 731 CG1 ILE A 94 -20.050 76.707 31.582 1.00 21.04 C ATOM 732 CG2 ILE A 94 -18.482 74.940 32.479 1.00 23.76 C ATOM 733 CD1 ILE A 94 -19.727 76.608 30.060 1.00 20.17 C ATOM 734 H ILE A 94 -18.796 78.895 33.131 1.00 0.00 H ATOM 735 N CYS A 95 -16.885 76.951 34.916 1.00 27.66 N ATOM 736 CA CYS A 95 -15.847 76.493 35.838 1.00 31.21 C ATOM 737 C CYS A 95 -16.321 76.576 37.282 1.00 40.15 C ATOM 738 O CYS A 95 -16.146 75.628 38.064 1.00 33.53 O ATOM 739 CB CYS A 95 -14.572 77.308 35.643 1.00 29.94 C ATOM 740 SG CYS A 95 -13.752 77.014 34.068 1.00 32.09 S ATOM 741 H CYS A 95 -16.690 77.740 34.267 1.00 0.00 H ATOM 742 N ASN A 96 -16.961 77.687 37.645 1.00 35.97 N ATOM 743 CA ASN A 96 -17.456 77.827 39.011 1.00 41.01 C ATOM 744 C ASN A 96 -18.546 76.805 39.316 1.00 42.55 C ATOM 745 O ASN A 96 -18.599 76.257 40.424 1.00 50.03 O ATOM 746 CB ASN A 96 -17.967 79.248 39.233 1.00 35.54 C ATOM 747 CG ASN A 96 -16.872 80.275 39.098 1.00 53.11 C ATOM 748 OD1 ASN A 96 -15.691 79.950 39.224 1.00 60.11 O ATOM 749 ND2 ASN A 96 -17.250 81.526 38.832 1.00 55.45 N ATOM 750 HD22 ASN A 96 -18.260 81.754 38.734 1.00 0.00 H ATOM 751 HD21 ASN A 96 -16.535 82.273 38.723 1.00 0.00 H ATOM 752 H ASN A 96 -17.107 78.453 36.957 1.00 0.00 H ATOM 753 N THR A 97 -19.401 76.513 38.337 1.00 36.02 N ATOM 754 CA THR A 97 -20.573 75.678 38.576 1.00 38.91 C ATOM 755 C THR A 97 -20.234 74.188 38.568 1.00 42.97 C ATOM 756 O THR A 97 -20.799 73.416 39.355 1.00 41.13 O ATOM 757 CB THR A 97 -21.650 75.995 37.534 1.00 42.24 C ATOM 758 OG1 THR A 97 -22.240 77.263 37.846 1.00 42.84 O ATOM 759 CG2 THR A 97 -22.739 74.932 37.527 1.00 44.67 C ATOM 760 HG1 THR A 97 -21.541 77.964 37.829 1.00 0.00 H ATOM 761 H THR A 97 -19.229 76.888 37.382 1.00 0.00 H ATOM 762 N THR A 98 -19.324 73.758 37.695 1.00 33.46 N ATOM 763 CA THR A 98 -18.995 72.345 37.574 1.00 38.12 C ATOM 764 C THR A 98 -17.660 71.987 38.197 1.00 39.69 C ATOM 765 O THR A 98 -17.374 70.797 38.361 1.00 49.87 O ATOM 766 CB THR A 98 -18.959 71.918 36.100 1.00 36.32 C ATOM 767 OG1 THR A 98 -17.837 72.538 35.471 1.00 38.27 O ATOM 768 CG2 THR A 98 -20.252 72.302 35.361 1.00 34.24 C ATOM 769 HG1 THR A 98 -17.927 73.522 35.535 1.00 0.00 H ATOM 770 H THR A 98 -18.838 74.447 37.086 1.00 0.00 H ATOM 771 N GLY A 99 -16.829 72.970 38.526 1.00 41.18 N ATOM 772 CA GLY A 99 -15.524 72.709 39.085 1.00 40.09 C ATOM 773 C GLY A 99 -14.433 72.350 38.095 1.00 47.84 C ATOM 774 O GLY A 99 -13.299 72.101 38.524 1.00 48.59 O ATOM 775 H GLY A 99 -17.127 73.955 38.377 1.00 0.00 H ATOM 776 N VAL A 100 -14.716 72.325 36.784 1.00 47.45 N ATOM 777 CA VAL A 100 -13.674 71.929 35.841 1.00 34.26 C ATOM 778 C VAL A 100 -12.594 73.009 35.782 1.00 40.36 C ATOM 779 O VAL A 100 -12.811 74.176 36.134 1.00 43.32 O ATOM 780 CB VAL A 100 -14.254 71.636 34.446 1.00 42.22 C ATOM 781 CG1 VAL A 100 -15.420 70.657 34.540 1.00 42.50 C ATOM 782 CG2 VAL A 100 -14.680 72.920 33.760 1.00 37.73 C ATOM 783 H VAL A 100 -15.664 72.584 36.444 1.00 0.00 H ATOM 784 N GLU A 101 -11.400 72.598 35.358 1.00 37.35 N ATOM 785 CA GLU A 101 -10.270 73.516 35.287 1.00 41.57 C ATOM 786 C GLU A 101 -10.538 74.631 34.276 1.00 41.41 C ATOM 787 O GLU A 101 -11.063 74.387 33.186 1.00 39.26 O ATOM 788 CB GLU A 101 -8.999 72.751 34.907 1.00 43.39 C ATOM 789 H GLU A 101 -11.272 71.606 35.073 1.00 0.00 H ATOM 790 N LYS A 102 -10.172 75.871 34.652 1.00 35.54 N ATOM 791 CA LYS A 102 -10.360 77.027 33.777 1.00 35.82 C ATOM 792 C LYS A 102 -9.293 77.042 32.688 1.00 43.27 C ATOM 793 O LYS A 102 -8.099 76.989 32.998 1.00 44.88 O ATOM 794 CB LYS A 102 -10.307 78.326 34.572 1.00 37.17 C ATOM 795 CG LYS A 102 -10.244 79.567 33.707 1.00 38.78 C ATOM 796 CD LYS A 102 -10.230 80.836 34.549 1.00 42.99 C ATOM 797 CE LYS A 102 -9.792 82.026 33.702 1.00 40.54 C ATOM 798 NZ LYS A 102 -10.217 83.327 34.285 1.00 42.97 N ATOM 799 HZ1 LYS A 102 -11.254 83.350 34.359 1.00 0.00 H ATOM 800 HZ2 LYS A 102 -9.798 83.435 35.231 1.00 0.00 H ATOM 801 HZ3 LYS A 102 -9.895 84.102 33.671 1.00 0.00 H ATOM 802 H LYS A 102 -9.744 76.010 35.590 1.00 0.00 H ATOM 803 N PRO A 103 -9.677 77.112 31.418 1.00 30.25 N ATOM 804 CA PRO A 103 -8.689 77.037 30.339 1.00 28.87 C ATOM 805 C PRO A 103 -7.885 78.318 30.199 1.00 22.77 C ATOM 806 O PRO A 103 -8.334 79.411 30.550 1.00 26.68 O ATOM 807 CB PRO A 103 -9.549 76.791 29.093 1.00 29.07 C ATOM 808 CG PRO A 103 -10.875 77.404 29.441 1.00 27.98 C ATOM 809 CD PRO A 103 -11.058 77.106 30.907 1.00 32.93 C ATOM 810 N LYS A 104 -6.670 78.169 29.657 1.00 24.30 N ATOM 811 CA LYS A 104 -5.832 79.341 29.399 1.00 30.02 C ATOM 812 C LYS A 104 -6.325 80.161 28.204 1.00 32.16 C ATOM 813 O LYS A 104 -6.136 81.385 28.178 1.00 33.83 O ATOM 814 CB LYS A 104 -4.377 78.908 29.182 1.00 35.83 C ATOM 815 H LYS A 104 -6.321 77.219 29.419 1.00 0.00 H ATOM 816 N PHE A 105 -6.931 79.521 27.203 1.00 32.28 N ATOM 817 CA PHE A 105 -7.465 80.195 26.021 1.00 25.01 C ATOM 818 C PHE A 105 -8.948 79.865 25.873 1.00 19.87 C ATOM 819 O PHE A 105 -9.419 78.850 26.382 1.00 23.21 O ATOM 820 CB PHE A 105 -6.754 79.749 24.745 1.00 34.65 C ATOM 821 CG PHE A 105 -5.267 79.883 24.794 1.00 40.34 C ATOM 822 CD1 PHE A 105 -4.670 81.136 24.835 1.00 43.71 C ATOM 823 CD2 PHE A 105 -4.460 78.752 24.788 1.00 40.15 C ATOM 824 CE1 PHE A 105 -3.284 81.262 24.873 1.00 47.50 C ATOM 825 CE2 PHE A 105 -3.079 78.869 24.831 1.00 46.61 C ATOM 826 CZ PHE A 105 -2.492 80.128 24.869 1.00 43.78 C ATOM 827 H PHE A 105 -7.029 78.488 27.267 1.00 0.00 H ATOM 828 N LEU A 106 -9.680 80.692 25.143 1.00 15.40 N ATOM 829 CA LEU A 106 -11.100 80.400 24.942 1.00 12.86 C ATOM 830 C LEU A 106 -11.266 79.138 24.115 1.00 13.14 C ATOM 831 O LEU A 106 -10.745 79.083 22.994 1.00 15.21 O ATOM 832 CB LEU A 106 -11.802 81.552 24.229 1.00 11.42 C ATOM 833 CG LEU A 106 -12.086 82.739 25.116 1.00 14.56 C ATOM 834 CD1 LEU A 106 -12.623 83.869 24.241 1.00 12.82 C ATOM 835 CD2 LEU A 106 -13.061 82.391 26.236 1.00 12.13 C ATOM 836 H LEU A 106 -9.251 81.539 24.718 1.00 0.00 H ATOM 837 N PRO A 107 -11.988 78.112 24.595 1.00 13.87 N ATOM 838 CA PRO A 107 -12.313 76.987 23.716 1.00 14.16 C ATOM 839 C PRO A 107 -13.532 77.286 22.860 1.00 13.02 C ATOM 840 O PRO A 107 -13.998 78.429 22.831 1.00 11.95 O ATOM 841 CB PRO A 107 -12.554 75.829 24.696 1.00 19.23 C ATOM 842 CG PRO A 107 -13.004 76.491 25.941 1.00 24.25 C ATOM 843 CD PRO A 107 -12.507 77.917 25.955 1.00 18.95 C ATOM 844 N ASP A 108 -14.074 76.278 22.185 1.00 13.44 N ATOM 845 CA ASP A 108 -15.164 76.501 21.245 1.00 12.63 C ATOM 846 C ASP A 108 -16.522 76.092 21.785 1.00 14.33 C ATOM 847 O ASP A 108 -17.517 76.787 21.525 1.00 12.63 O ATOM 848 CB ASP A 108 -14.894 75.747 19.937 1.00 12.93 C ATOM 849 CG ASP A 108 -13.754 76.362 19.147 1.00 12.46 C ATOM 850 OD1 ASP A 108 -13.632 77.603 19.168 1.00 15.12 O ATOM 851 OD2 ASP A 108 -12.965 75.600 18.551 1.00 13.90 O ATOM 852 H ASP A 108 -13.714 75.313 22.330 1.00 0.00 H ATOM 853 N LEU A 109 -16.583 74.988 22.531 1.00 14.51 N ATOM 854 CA LEU A 109 -17.826 74.518 23.141 1.00 15.36 C ATOM 855 C LEU A 109 -17.551 74.028 24.552 1.00 16.75 C ATOM 856 O LEU A 109 -16.406 73.745 24.923 1.00 17.31 O ATOM 857 CB LEU A 109 -18.458 73.373 22.347 1.00 16.27 C ATOM 858 CG LEU A 109 -18.783 73.608 20.873 1.00 26.49 C ATOM 859 CD1 LEU A 109 -19.106 72.286 20.221 1.00 30.99 C ATOM 860 CD2 LEU A 109 -19.931 74.555 20.697 1.00 27.77 C ATOM 861 H LEU A 109 -15.713 74.440 22.685 1.00 0.00 H ATOM 862 N TYR A 110 -18.619 73.907 25.333 1.00 17.57 N ATOM 863 CA TYR A 110 -18.574 73.087 26.535 1.00 19.50 C ATOM 864 C TYR A 110 -19.614 71.987 26.409 1.00 20.99 C ATOM 865 O TYR A 110 -20.733 72.242 25.963 1.00 20.63 O ATOM 866 CB TYR A 110 -18.818 73.901 27.802 1.00 22.10 C ATOM 867 CG TYR A 110 -18.675 73.067 29.067 1.00 26.39 C ATOM 868 CD1 TYR A 110 -17.420 72.795 29.607 1.00 22.76 C ATOM 869 CD2 TYR A 110 -19.801 72.548 29.722 1.00 24.89 C ATOM 870 CE1 TYR A 110 -17.290 72.031 30.787 1.00 25.13 C ATOM 871 CE2 TYR A 110 -19.675 71.778 30.903 1.00 26.01 C ATOM 872 CZ TYR A 110 -18.419 71.536 31.423 1.00 26.73 C ATOM 873 OH TYR A 110 -18.277 70.779 32.574 1.00 29.33 O ATOM 874 HH TYR A 110 -18.650 69.875 32.421 1.00 0.00 H ATOM 875 H TYR A 110 -19.498 74.404 25.083 1.00 0.00 H ATOM 876 N ASP A 111 -19.219 70.763 26.781 1.00 22.88 N ATOM 877 CA ASP A 111 -20.061 69.569 26.705 1.00 24.75 C ATOM 878 C ASP A 111 -20.563 69.274 28.119 1.00 27.93 C ATOM 879 O ASP A 111 -19.776 68.868 28.974 1.00 28.05 O ATOM 880 CB ASP A 111 -19.248 68.398 26.146 1.00 25.82 C ATOM 881 CG ASP A 111 -20.079 67.127 25.921 1.00 27.89 C ATOM 882 OD1 ASP A 111 -21.193 67.009 26.467 1.00 28.98 O ATOM 883 OD2 ASP A 111 -19.609 66.234 25.179 1.00 28.62 O ATOM 884 H ASP A 111 -18.252 70.654 27.147 1.00 0.00 H ATOM 885 N TYR A 112 -21.860 69.514 28.369 1.00 27.17 N ATOM 886 CA TYR A 112 -22.441 69.294 29.701 1.00 29.28 C ATOM 887 C TYR A 112 -22.539 67.814 30.055 1.00 32.63 C ATOM 888 O TYR A 112 -22.572 67.463 31.247 1.00 34.27 O ATOM 889 CB TYR A 112 -23.838 69.920 29.795 1.00 31.30 C ATOM 890 CG TYR A 112 -23.823 71.429 29.871 1.00 31.50 C ATOM 891 CD1 TYR A 112 -24.274 72.204 28.806 1.00 25.18 C ATOM 892 CD2 TYR A 112 -23.330 72.083 30.997 1.00 29.28 C ATOM 893 CE1 TYR A 112 -24.241 73.603 28.864 1.00 28.71 C ATOM 894 CE2 TYR A 112 -23.295 73.483 31.064 1.00 28.57 C ATOM 895 CZ TYR A 112 -23.751 74.228 29.991 1.00 27.75 C ATOM 896 OH TYR A 112 -23.717 75.601 30.031 1.00 29.05 O ATOM 897 HH TYR A 112 -24.080 75.964 29.184 1.00 0.00 H ATOM 898 H TYR A 112 -22.468 69.864 27.602 1.00 0.00 H ATOM 899 N LYS A 113 -22.633 66.942 29.045 1.00 32.47 N ATOM 900 CA LYS A 113 -22.752 65.508 29.303 1.00 35.38 C ATOM 901 C LYS A 113 -21.418 64.921 29.755 1.00 38.43 C ATOM 902 O LYS A 113 -21.364 64.159 30.728 1.00 41.35 O ATOM 903 CB LYS A 113 -23.265 64.795 28.049 1.00 35.56 C ATOM 904 CG LYS A 113 -23.724 63.350 28.280 1.00 38.88 C ATOM 905 CD LYS A 113 -23.950 62.638 26.955 1.00 39.00 C ATOM 906 CE LYS A 113 -23.441 61.189 26.975 1.00 49.72 C ATOM 907 NZ LYS A 113 -23.507 60.551 25.622 1.00 48.90 N ATOM 908 HZ1 LYS A 113 -24.493 60.544 25.291 1.00 0.00 H ATOM 909 HZ2 LYS A 113 -22.920 61.092 24.956 1.00 0.00 H ATOM 910 HZ3 LYS A 113 -23.154 59.575 25.683 1.00 0.00 H ATOM 911 H LYS A 113 -22.621 67.288 28.064 1.00 0.00 H ATOM 912 N GLU A 114 -20.331 65.253 29.056 1.00 34.48 N ATOM 913 CA GLU A 114 -19.004 64.776 29.421 1.00 35.43 C ATOM 914 C GLU A 114 -18.274 65.705 30.377 1.00 39.24 C ATOM 915 O GLU A 114 -17.210 65.331 30.881 1.00 35.98 O ATOM 916 CB GLU A 114 -18.134 64.566 28.174 1.00 34.22 C ATOM 917 CG GLU A 114 -18.678 63.544 27.169 1.00 35.18 C ATOM 918 CD GLU A 114 -18.590 62.087 27.651 1.00 53.26 C ATOM 919 OE1 GLU A 114 -17.899 61.813 28.664 1.00 52.22 O ATOM 920 OE2 GLU A 114 -19.226 61.218 27.010 1.00 43.27 O ATOM 921 H GLU A 114 -20.434 65.871 28.226 1.00 0.00 H ATOM 922 N ASN A 115 -18.810 66.895 30.627 1.00 33.06 N ATOM 923 CA ASN A 115 -18.184 67.907 31.473 1.00 37.37 C ATOM 924 C ASN A 115 -16.751 68.194 31.021 1.00 35.08 C ATOM 925 O ASN A 115 -15.776 68.005 31.750 1.00 32.44 O ATOM 926 CB ASN A 115 -18.250 67.511 32.950 1.00 43.10 C ATOM 927 CG ASN A 115 -19.582 67.876 33.573 1.00 45.56 C ATOM 928 OD1 ASN A 115 -19.940 69.065 33.668 1.00 36.53 O ATOM 929 ND2 ASN A 115 -20.347 66.863 33.965 1.00 43.02 N ATOM 930 HD22 ASN A 115 -20.006 65.885 33.866 1.00 0.00 H ATOM 931 HD21 ASN A 115 -21.287 67.048 34.371 1.00 0.00 H ATOM 932 H ASN A 115 -19.729 67.119 30.195 1.00 0.00 H ATOM 933 N ARG A 116 -16.641 68.686 29.788 1.00 28.83 N ATOM 934 CA ARG A 116 -15.335 69.083 29.292 1.00 27.70 C ATOM 935 C ARG A 116 -15.519 70.144 28.218 1.00 24.93 C ATOM 936 O ARG A 116 -16.511 70.140 27.483 1.00 24.14 O ATOM 937 CB ARG A 116 -14.533 67.918 28.719 1.00 29.03 C ATOM 938 CG ARG A 116 -15.147 67.260 27.499 1.00 28.72 C ATOM 939 CD ARG A 116 -14.624 65.828 27.327 1.00 31.08 C ATOM 940 NE ARG A 116 -15.241 65.178 26.177 1.00 31.03 N ATOM 941 CZ ARG A 116 -15.117 63.888 25.881 1.00 35.44 C ATOM 942 NH1 ARG A 116 -14.387 63.093 26.654 1.00 35.53 N ATOM 943 NH2 ARG A 116 -15.734 63.397 24.818 1.00 33.08 N ATOM 944 HE ARG A 116 -15.819 65.765 25.543 1.00 0.00 H ATOM 945 HH12 ARG A 116 -14.292 62.084 26.420 1.00 0.00 H ATOM 946 HH11 ARG A 116 -13.910 63.479 27.494 1.00 0.00 H ATOM 947 HH22 ARG A 116 -15.640 62.388 24.582 1.00 0.00 H ATOM 948 HH21 ARG A 116 -16.313 64.020 24.219 1.00 0.00 H ATOM 949 H ARG A 116 -17.483 68.785 29.186 1.00 0.00 H ATOM 950 N PHE A 117 -14.555 71.050 28.159 1.00 23.72 N ATOM 951 CA PHE A 117 -14.480 71.994 27.045 1.00 21.72 C ATOM 952 C PHE A 117 -14.020 71.262 25.788 1.00 21.97 C ATOM 953 O PHE A 117 -13.379 70.205 25.853 1.00 23.06 O ATOM 954 CB PHE A 117 -13.533 73.146 27.379 1.00 20.49 C ATOM 955 CG PHE A 117 -14.065 74.072 28.438 1.00 21.06 C ATOM 956 CD1 PHE A 117 -13.596 73.993 29.746 1.00 21.85 C ATOM 957 CD2 PHE A 117 -15.054 75.003 28.134 1.00 18.72 C ATOM 958 CE1 PHE A 117 -14.088 74.839 30.728 1.00 25.12 C ATOM 959 CE2 PHE A 117 -15.554 75.854 29.109 1.00 18.72 C ATOM 960 CZ PHE A 117 -15.082 75.762 30.416 1.00 20.29 C ATOM 961 H PHE A 117 -13.842 71.091 28.915 1.00 0.00 H ATOM 962 N ILE A 118 -14.376 71.819 24.628 1.00 19.69 N ATOM 963 CA ILE A 118 -14.039 71.229 23.336 1.00 19.67 C ATOM 964 C ILE A 118 -13.377 72.301 22.478 1.00 18.01 C ATOM 965 O ILE A 118 -13.884 73.421 22.384 1.00 16.51 O ATOM 966 CB ILE A 118 -15.275 70.680 22.596 1.00 19.73 C ATOM 967 CG1 ILE A 118 -15.922 69.536 23.363 1.00 21.71 C ATOM 968 CG2 ILE A 118 -14.887 70.137 21.228 1.00 21.75 C ATOM 969 CD1 ILE A 118 -17.302 69.182 22.825 1.00 23.25 C ATOM 970 H ILE A 118 -14.915 72.708 24.646 1.00 0.00 H ATOM 971 N GLU A 119 -12.246 71.963 21.881 1.00 18.52 N ATOM 972 CA GLU A 119 -11.637 72.815 20.871 1.00 18.67 C ATOM 973 C GLU A 119 -11.864 72.156 19.515 1.00 17.55 C ATOM 974 O GLU A 119 -11.490 70.991 19.324 1.00 19.65 O ATOM 975 CB GLU A 119 -10.144 73.016 21.149 1.00 18.65 C ATOM 976 CG GLU A 119 -9.431 73.654 19.944 1.00 17.32 C ATOM 977 CD GLU A 119 -9.943 75.070 19.672 1.00 15.48 C ATOM 978 OE1 GLU A 119 -10.424 75.768 20.617 1.00 16.09 O ATOM 979 OE2 GLU A 119 -9.908 75.482 18.493 1.00 16.99 O ATOM 980 H GLU A 119 -11.782 71.069 22.139 1.00 0.00 H ATOM 981 N ILE A 120 -12.512 72.874 18.590 1.00 16.23 N ATOM 982 CA ILE A 120 -12.829 72.366 17.256 1.00 16.49 C ATOM 983 C ILE A 120 -11.831 72.949 16.275 1.00 17.15 C ATOM 984 O ILE A 120 -11.545 74.152 16.305 1.00 15.08 O ATOM 985 CB ILE A 120 -14.272 72.718 16.841 1.00 16.90 C ATOM 986 CG1 ILE A 120 -15.272 71.847 17.588 1.00 33.33 C ATOM 987 CG2 ILE A 120 -14.491 72.530 15.334 1.00 17.85 C ATOM 988 CD1 ILE A 120 -16.618 72.461 17.676 1.00 33.06 C ATOM 989 H ILE A 120 -12.805 73.842 18.832 1.00 0.00 H ATOM 990 N GLY A 121 -11.251 72.128 15.431 1.00 17.40 N ATOM 991 CA GLY A 121 -10.373 72.598 14.368 1.00 17.46 C ATOM 992 C GLY A 121 -10.889 72.121 13.023 1.00 18.99 C ATOM 993 O GLY A 121 -11.446 71.034 12.932 1.00 18.93 O ATOM 994 H GLY A 121 -11.424 71.107 15.524 1.00 0.00 H ATOM 995 N VAL A 122 -10.749 72.964 11.996 1.00 17.45 N ATOM 996 CA VAL A 122 -11.078 72.613 10.616 1.00 18.19 C ATOM 997 C VAL A 122 -9.829 72.916 9.795 1.00 19.01 C ATOM 998 O VAL A 122 -9.331 74.043 9.839 1.00 18.24 O ATOM 999 CB VAL A 122 -12.281 73.419 10.076 1.00 18.14 C ATOM 1000 CG1 VAL A 122 -12.544 73.018 8.628 1.00 18.45 C ATOM 1001 CG2 VAL A 122 -13.528 73.196 10.928 1.00 16.67 C ATOM 1002 H VAL A 122 -10.387 73.920 12.189 1.00 0.00 H ATOM 1003 N THR A 123 -9.301 71.925 9.087 1.00 20.77 N ATOM 1004 CA THR A 123 -7.999 72.095 8.452 1.00 25.84 C ATOM 1005 C THR A 123 -8.042 71.825 6.949 1.00 25.10 C ATOM 1006 O THR A 123 -8.730 70.911 6.490 1.00 24.02 O ATOM 1007 CB THR A 123 -6.933 71.199 9.121 1.00 24.72 C ATOM 1008 OG1 THR A 123 -5.657 71.459 8.520 1.00 30.92 O ATOM 1009 CG2 THR A 123 -7.257 69.701 8.962 1.00 24.95 C ATOM 1010 HG1 THR A 123 -5.421 72.412 8.649 1.00 0.00 H ATOM 1011 H THR A 123 -9.816 71.027 8.985 1.00 0.00 H ATOM 1012 N ARG A 124 -7.294 72.653 6.197 1.00 23.61 N ATOM 1013 CA ARG A 124 -7.028 72.466 4.776 1.00 25.28 C ATOM 1014 C ARG A 124 -5.832 71.556 4.546 1.00 30.96 C ATOM 1015 O ARG A 124 -5.607 71.114 3.413 1.00 32.83 O ATOM 1016 CB ARG A 124 -6.783 73.830 4.084 1.00 26.08 C ATOM 1017 CG ARG A 124 -7.969 74.860 4.197 1.00 27.46 C ATOM 1018 CD ARG A 124 -7.533 76.337 4.300 1.00 32.03 C ATOM 1019 NE ARG A 124 -7.583 76.823 5.681 1.00 30.80 N ATOM 1020 CZ ARG A 124 -7.191 78.024 6.088 1.00 34.05 C ATOM 1021 NH1 ARG A 124 -6.714 78.906 5.218 1.00 42.60 N ATOM 1022 NH2 ARG A 124 -7.270 78.342 7.378 1.00 38.12 N ATOM 1023 HE ARG A 124 -7.957 76.173 6.402 1.00 0.00 H ATOM 1024 HH12 ARG A 124 -6.409 79.845 5.544 1.00 0.00 H ATOM 1025 HH11 ARG A 124 -6.646 78.658 4.210 1.00 0.00 H ATOM 1026 HH22 ARG A 124 -6.964 79.282 7.702 1.00 0.00 H ATOM 1027 HH21 ARG A 124 -7.638 77.651 8.062 1.00 0.00 H ATOM 1028 H ARG A 124 -6.877 73.484 6.662 1.00 0.00 H ATOM 1029 N ARG A 125 -5.073 71.257 5.598 1.00 30.02 N ATOM 1030 CA ARG A 125 -3.955 70.334 5.483 1.00 33.55 C ATOM 1031 C ARG A 125 -4.408 68.932 5.885 1.00 42.26 C ATOM 1032 O ARG A 125 -5.342 68.385 5.293 1.00 56.56 O ATOM 1033 CB ARG A 125 -2.778 70.830 6.330 1.00 33.35 C ATOM 1034 CG ARG A 125 -2.240 72.201 5.898 1.00 31.37 C ATOM 1035 CD ARG A 125 -1.158 72.693 6.844 1.00 33.71 C ATOM 1036 NE ARG A 125 -1.736 73.175 8.098 1.00 34.11 N ATOM 1037 CZ ARG A 125 -1.085 73.212 9.254 1.00 31.45 C ATOM 1038 NH1 ARG A 125 0.174 72.789 9.318 1.00 36.83 N ATOM 1039 NH2 ARG A 125 -1.693 73.657 10.344 1.00 31.61 N ATOM 1040 HE ARG A 125 -2.720 73.510 8.083 1.00 0.00 H ATOM 1041 HH12 ARG A 125 0.687 72.817 10.222 1.00 0.00 H ATOM 1042 HH11 ARG A 125 0.646 72.430 8.464 1.00 0.00 H ATOM 1043 HH22 ARG A 125 -1.182 73.686 11.249 1.00 0.00 H ATOM 1044 HH21 ARG A 125 -2.681 73.978 10.294 1.00 0.00 H ATOM 1045 H ARG A 125 -5.283 71.692 6.519 1.00 0.00 H ATOM 1046 N GLU A 126 -3.780 68.355 6.900 1.00 39.63 N ATOM 1047 CA GLU A 126 -4.037 66.983 7.316 1.00 32.72 C ATOM 1048 C GLU A 126 -4.372 66.994 8.799 1.00 31.43 C ATOM 1049 O GLU A 126 -3.850 67.832 9.546 1.00 30.48 O ATOM 1050 CB GLU A 126 -2.818 66.100 7.009 1.00 40.62 C ATOM 1051 CG GLU A 126 -3.097 64.617 7.105 1.00 46.90 C ATOM 1052 CD GLU A 126 -2.713 64.067 8.453 1.00 53.52 C ATOM 1053 OE1 GLU A 126 -2.973 62.875 8.710 1.00 56.42 O ATOM 1054 OE2 GLU A 126 -2.128 64.834 9.247 1.00 56.19 O ATOM 1055 H GLU A 126 -3.071 68.907 7.423 1.00 0.00 H ATOM 1056 N VAL A 127 -5.279 66.108 9.224 1.00 31.52 N ATOM 1057 CA VAL A 127 -5.817 66.246 10.577 1.00 30.19 C ATOM 1058 C VAL A 127 -4.756 65.965 11.635 1.00 35.53 C ATOM 1059 O VAL A 127 -4.793 66.543 12.728 1.00 30.15 O ATOM 1060 CB VAL A 127 -7.050 65.344 10.777 1.00 30.83 C ATOM 1061 CG1 VAL A 127 -8.186 65.752 9.827 1.00 29.17 C ATOM 1062 CG2 VAL A 127 -6.682 63.871 10.582 1.00 33.13 C ATOM 1063 H VAL A 127 -5.596 65.335 8.604 1.00 0.00 H ATOM 1064 N HIS A 128 -3.799 65.074 11.353 1.00 33.87 N ATOM 1065 CA HIS A 128 -2.827 64.739 12.388 1.00 35.30 C ATOM 1066 C HIS A 128 -1.874 65.895 12.659 1.00 34.63 C ATOM 1067 O HIS A 128 -1.580 66.194 13.820 1.00 34.37 O ATOM 1068 CB HIS A 128 -2.080 63.464 12.007 1.00 38.45 C ATOM 1069 CG HIS A 128 -2.996 62.301 11.839 1.00 39.38 C ATOM 1070 ND1 HIS A 128 -3.699 62.075 10.676 1.00 42.50 N ATOM 1071 CD2 HIS A 128 -3.377 61.335 12.706 1.00 54.93 C ATOM 1072 CE1 HIS A 128 -4.441 60.991 10.817 1.00 52.78 C ATOM 1073 NE2 HIS A 128 -4.261 60.520 12.039 1.00 58.82 N ATOM 1074 H HIS A 128 -3.749 64.629 10.414 1.00 0.00 H ATOM 1075 N ILE A 129 -1.389 66.554 11.606 1.00 34.57 N ATOM 1076 CA ILE A 129 -0.578 67.755 11.785 1.00 34.46 C ATOM 1077 C ILE A 129 -1.338 68.774 12.610 1.00 32.12 C ATOM 1078 O ILE A 129 -0.838 69.315 13.609 1.00 31.03 O ATOM 1079 CB ILE A 129 -0.192 68.349 10.418 1.00 34.46 C ATOM 1080 CG1 ILE A 129 0.055 67.234 9.397 1.00 54.13 C ATOM 1081 CG2 ILE A 129 1.022 69.262 10.566 1.00 42.42 C ATOM 1082 CD1 ILE A 129 0.367 67.738 7.987 1.00 54.74 C ATOM 1083 H ILE A 129 -1.591 66.209 10.646 1.00 0.00 H ATOM 1084 N TYR A 130 -2.574 69.045 12.205 1.00 29.38 N ATOM 1085 CA TYR A 130 -3.365 70.078 12.862 1.00 26.92 C ATOM 1086 C TYR A 130 -3.659 69.706 14.312 1.00 26.77 C ATOM 1087 O TYR A 130 -3.602 70.567 15.199 1.00 25.67 O ATOM 1088 CB TYR A 130 -4.661 70.301 12.072 1.00 25.39 C ATOM 1089 CG TYR A 130 -5.309 71.667 12.295 1.00 25.76 C ATOM 1090 CD1 TYR A 130 -4.820 72.795 11.667 1.00 32.06 C ATOM 1091 CD2 TYR A 130 -6.409 71.804 13.105 1.00 29.49 C ATOM 1092 CE1 TYR A 130 -5.409 74.047 11.866 1.00 38.44 C ATOM 1093 CE2 TYR A 130 -7.007 73.045 13.305 1.00 30.11 C ATOM 1094 CZ TYR A 130 -6.498 74.161 12.685 1.00 32.77 C ATOM 1095 OH TYR A 130 -7.084 75.400 12.889 1.00 41.52 O ATOM 1096 HH TYR A 130 -8.027 75.371 12.590 1.00 0.00 H ATOM 1097 H TYR A 130 -2.982 68.514 11.410 1.00 0.00 H ATOM 1098 N TYR A 131 -3.967 68.430 14.571 1.00 28.08 N ATOM 1099 CA TYR A 131 -4.206 67.995 15.944 1.00 28.38 C ATOM 1100 C TYR A 131 -3.000 68.291 16.831 1.00 29.43 C ATOM 1101 O TYR A 131 -3.141 68.857 17.922 1.00 29.19 O ATOM 1102 CB TYR A 131 -4.533 66.502 15.990 1.00 30.24 C ATOM 1103 CG TYR A 131 -4.825 66.036 17.399 1.00 30.82 C ATOM 1104 CD1 TYR A 131 -3.794 65.711 18.281 1.00 32.67 C ATOM 1105 CD2 TYR A 131 -6.134 65.938 17.857 1.00 33.27 C ATOM 1106 CE1 TYR A 131 -4.066 65.309 19.582 1.00 35.51 C ATOM 1107 CE2 TYR A 131 -6.412 65.526 19.146 1.00 30.54 C ATOM 1108 CZ TYR A 131 -5.376 65.218 20.004 1.00 40.32 C ATOM 1109 OH TYR A 131 -5.659 64.816 21.287 1.00 49.91 O ATOM 1110 HH TYR A 131 -6.159 65.532 21.753 1.00 0.00 H ATOM 1111 H TYR A 131 -4.036 67.745 13.791 1.00 0.00 H ATOM 1112 N LEU A 132 -1.803 67.905 16.379 1.00 31.47 N ATOM 1113 CA LEU A 132 -0.597 68.141 17.166 1.00 32.87 C ATOM 1114 C LEU A 132 -0.386 69.629 17.409 1.00 40.04 C ATOM 1115 O LEU A 132 -0.098 70.053 18.536 1.00 38.78 O ATOM 1116 CB LEU A 132 0.613 67.529 16.457 1.00 35.48 C ATOM 1117 CG LEU A 132 0.865 66.045 16.697 1.00 38.15 C ATOM 1118 CD1 LEU A 132 2.042 65.586 15.875 1.00 40.70 C ATOM 1119 CD2 LEU A 132 1.112 65.807 18.184 1.00 40.80 C ATOM 1120 H LEU A 132 -1.730 67.431 15.456 1.00 0.00 H ATOM 1121 N GLU A 133 -0.533 70.441 16.359 1.00 31.51 N ATOM 1122 CA GLU A 133 -0.412 71.885 16.529 1.00 31.27 C ATOM 1123 C GLU A 133 -1.382 72.409 17.576 1.00 31.08 C ATOM 1124 O GLU A 133 -1.009 73.227 18.425 1.00 36.81 O ATOM 1125 CB GLU A 133 -0.623 72.585 15.187 1.00 34.90 C ATOM 1126 CG GLU A 133 0.543 72.358 14.241 1.00 36.54 C ATOM 1127 CD GLU A 133 0.460 73.171 12.946 1.00 41.29 C ATOM 1128 OE1 GLU A 133 -0.554 73.871 12.729 1.00 46.09 O ATOM 1129 OE2 GLU A 133 1.415 73.090 12.144 1.00 46.23 O ATOM 1130 H GLU A 133 -0.734 70.044 15.419 1.00 0.00 H ATOM 1131 N LYS A 134 -2.629 71.931 17.551 1.00 32.66 N ATOM 1132 CA LYS A 134 -3.625 72.390 18.515 1.00 32.02 C ATOM 1133 C LYS A 134 -3.314 71.892 19.923 1.00 33.68 C ATOM 1134 O LYS A 134 -3.514 72.619 20.905 1.00 42.58 O ATOM 1135 CB LYS A 134 -5.013 71.921 18.080 1.00 35.06 C ATOM 1136 CG LYS A 134 -6.128 72.766 18.610 1.00 44.70 C ATOM 1137 CD LYS A 134 -6.123 74.130 17.961 1.00 40.13 C ATOM 1138 CE LYS A 134 -7.182 74.270 16.876 1.00 33.40 C ATOM 1139 NZ LYS A 134 -7.495 75.732 16.734 1.00 28.10 N ATOM 1140 HZ1 LYS A 134 -7.852 76.098 17.640 1.00 0.00 H ATOM 1141 HZ2 LYS A 134 -6.631 76.246 16.467 1.00 0.00 H ATOM 1142 HZ3 LYS A 134 -8.218 75.861 15.997 1.00 0.00 H ATOM 1143 H LYS A 134 -2.894 71.223 16.836 1.00 0.00 H ATOM 1144 N ALA A 135 -2.843 70.652 20.044 1.00 33.17 N ATOM 1145 CA ALA A 135 -2.480 70.131 21.358 1.00 35.52 C ATOM 1146 C ALA A 135 -1.285 70.884 21.928 1.00 51.57 C ATOM 1147 O ALA A 135 -1.250 71.184 23.128 1.00 53.71 O ATOM 1148 CB ALA A 135 -2.179 68.635 21.266 1.00 39.06 C ATOM 1149 H ALA A 135 -2.734 70.054 19.200 1.00 0.00 H ATOM 1150 N ASN A 136 -0.297 71.195 21.080 1.00 44.47 N ATOM 1151 CA ASN A 136 0.869 71.949 21.529 1.00 46.78 C ATOM 1152 C ASN A 136 0.469 73.331 22.014 1.00 51.55 C ATOM 1153 O ASN A 136 0.926 73.782 23.071 1.00 57.78 O ATOM 1154 CB ASN A 136 1.894 72.076 20.399 1.00 48.78 C ATOM 1155 CG ASN A 136 2.496 70.739 19.986 1.00 52.67 C ATOM 1156 OD1 ASN A 136 3.268 70.672 19.028 1.00 66.33 O ATOM 1157 ND2 ASN A 136 2.149 69.671 20.704 1.00 58.11 N ATOM 1158 HD22 ASN A 136 1.494 69.773 21.505 1.00 0.00 H ATOM 1159 HD21 ASN A 136 2.533 68.735 20.463 1.00 0.00 H ATOM 1160 H ASN A 136 -0.361 70.895 20.086 1.00 0.00 H ATOM 1161 N LYS A 137 -0.388 74.016 21.250 1.00 45.80 N ATOM 1162 CA LYS A 137 -0.757 75.390 21.566 1.00 45.40 C ATOM 1163 C LYS A 137 -1.583 75.454 22.839 1.00 57.42 C ATOM 1164 O LYS A 137 -1.166 76.053 23.837 1.00 64.55 O ATOM 1165 CB LYS A 137 -1.529 76.006 20.399 1.00 38.44 C ATOM 1166 CG LYS A 137 -1.972 77.441 20.627 1.00 45.41 C ATOM 1167 CD LYS A 137 -2.422 78.086 19.321 1.00 51.57 C ATOM 1168 CE LYS A 137 -2.328 79.612 19.377 1.00 51.55 C ATOM 1169 NZ LYS A 137 -2.612 80.248 18.050 1.00 50.92 N ATOM 1170 HZ1 LYS A 137 -1.923 79.908 17.349 1.00 0.00 H ATOM 1171 HZ2 LYS A 137 -3.573 79.995 17.744 1.00 0.00 H ATOM 1172 HZ3 LYS A 137 -2.536 81.281 18.139 1.00 0.00 H ATOM 1173 H LYS A 137 -0.800 73.558 20.412 1.00 0.00 H ATOM 1174 N ILE A 138 -2.761 74.831 22.827 1.00 56.06 N ATOM 1175 CA ILE A 138 -3.679 75.012 23.943 1.00 58.68 C ATOM 1176 C ILE A 138 -3.136 74.354 25.202 1.00 57.63 C ATOM 1177 O ILE A 138 -3.369 74.853 26.310 1.00 66.24 O ATOM 1178 CB ILE A 138 -5.085 74.498 23.574 1.00 48.01 C ATOM 1179 CG1 ILE A 138 -5.196 72.984 23.761 1.00 43.11 C ATOM 1180 CG2 ILE A 138 -5.440 74.897 22.140 1.00 47.85 C ATOM 1181 CD1 ILE A 138 -6.544 72.432 23.373 1.00 40.97 C ATOM 1182 H ILE A 138 -3.023 74.220 22.027 1.00 0.00 H ATOM 1183 N LYS A 139 -2.382 73.257 25.054 1.00 60.66 N ATOM 1184 CA LYS A 139 -1.786 72.488 26.148 1.00 59.95 C ATOM 1185 C LYS A 139 -2.634 72.519 27.417 1.00 66.88 C ATOM 1186 O LYS A 139 -2.119 72.757 28.515 1.00 74.77 O ATOM 1187 CB LYS A 139 -0.370 72.995 26.442 1.00 61.02 C ATOM 1188 H LYS A 139 -2.206 72.925 24.084 1.00 0.00 H ATOM 1189 N SER A 140 -3.941 72.299 27.268 1.00 62.33 N ATOM 1190 CA SER A 140 -4.860 72.358 28.395 1.00 57.16 C ATOM 1191 C SER A 140 -5.017 71.024 29.107 1.00 58.53 C ATOM 1192 O SER A 140 -5.526 70.999 30.234 1.00 61.82 O ATOM 1193 CB SER A 140 -6.235 72.845 27.927 1.00 54.02 C ATOM 1194 H SER A 140 -4.313 72.080 26.322 1.00 0.00 H ATOM 1195 N GLU A 141 -4.612 69.923 28.471 1.00 51.73 N ATOM 1196 CA GLU A 141 -4.723 68.576 29.022 1.00 54.62 C ATOM 1197 C GLU A 141 -6.177 68.152 29.210 1.00 56.29 C ATOM 1198 O GLU A 141 -6.543 67.027 28.854 1.00 59.60 O ATOM 1199 CB GLU A 141 -3.959 68.461 30.347 1.00 55.47 C ATOM 1200 H GLU A 141 -4.192 70.031 27.526 1.00 0.00 H ATOM 1201 N LYS A 142 -7.016 69.028 29.768 1.00 51.94 N ATOM 1202 CA LYS A 142 -8.415 68.684 29.993 1.00 49.32 C ATOM 1203 C LYS A 142 -9.321 69.052 28.826 1.00 35.89 C ATOM 1204 O LYS A 142 -10.413 68.490 28.713 1.00 51.14 O ATOM 1205 CB LYS A 142 -8.932 69.356 31.270 1.00 47.44 C ATOM 1206 H LYS A 142 -6.667 69.968 30.046 1.00 0.00 H ATOM 1207 N THR A 143 -8.902 69.964 27.956 1.00 37.58 N ATOM 1208 CA THR A 143 -9.730 70.350 26.819 1.00 31.97 C ATOM 1209 C THR A 143 -9.692 69.254 25.762 1.00 36.09 C ATOM 1210 O THR A 143 -8.617 68.771 25.394 1.00 35.69 O ATOM 1211 CB THR A 143 -9.255 71.681 26.241 1.00 34.85 C ATOM 1212 OG1 THR A 143 -9.362 72.687 27.252 1.00 40.51 O ATOM 1213 CG2 THR A 143 -10.116 72.105 25.034 1.00 23.28 C ATOM 1214 HG1 THR A 143 -9.056 73.555 26.886 1.00 0.00 H ATOM 1215 H THR A 143 -7.971 70.409 28.087 1.00 0.00 H ATOM 1216 N HIS A 144 -10.869 68.832 25.309 1.00 25.63 N ATOM 1217 CA HIS A 144 -10.964 67.839 24.251 1.00 26.29 C ATOM 1218 C HIS A 144 -10.772 68.515 22.900 1.00 24.46 C ATOM 1219 O HIS A 144 -11.248 69.628 22.686 1.00 22.81 O ATOM 1220 CB HIS A 144 -12.326 67.156 24.304 1.00 26.82 C ATOM 1221 CG HIS A 144 -12.293 65.711 23.946 1.00 35.06 C ATOM 1222 ND1 HIS A 144 -12.766 65.231 22.742 1.00 32.94 N ATOM 1223 CD2 HIS A 144 -11.833 64.635 24.629 1.00 31.58 C ATOM 1224 CE1 HIS A 144 -12.597 63.921 22.703 1.00 31.19 C ATOM 1225 NE2 HIS A 144 -12.036 63.537 23.834 1.00 32.91 N ATOM 1226 H HIS A 144 -11.741 69.221 25.721 1.00 0.00 H ATOM 1227 N ILE A 145 -10.049 67.859 21.994 1.00 29.29 N ATOM 1228 CA ILE A 145 -9.770 68.418 20.673 1.00 24.02 C ATOM 1229 C ILE A 145 -10.453 67.543 19.634 1.00 24.53 C ATOM 1230 O ILE A 145 -10.346 66.320 19.686 1.00 26.53 O ATOM 1231 CB ILE A 145 -8.260 68.512 20.405 1.00 24.81 C ATOM 1232 CG1 ILE A 145 -7.603 69.508 21.360 1.00 24.31 C ATOM 1233 CG2 ILE A 145 -7.975 68.888 18.962 1.00 24.00 C ATOM 1234 CD1 ILE A 145 -6.080 69.308 21.425 1.00 26.42 C ATOM 1235 H ILE A 145 -9.671 66.920 22.234 1.00 0.00 H ATOM 1236 N HIS A 146 -11.163 68.170 18.698 1.00 22.93 N ATOM 1237 CA HIS A 146 -11.835 67.448 17.622 1.00 23.44 C ATOM 1238 C HIS A 146 -11.540 68.179 16.319 1.00 22.33 C ATOM 1239 O HIS A 146 -11.863 69.362 16.191 1.00 20.53 O ATOM 1240 CB HIS A 146 -13.342 67.359 17.882 1.00 23.07 C ATOM 1241 CG HIS A 146 -14.041 66.339 17.037 1.00 24.31 C ATOM 1242 ND1 HIS A 146 -15.135 65.628 17.482 1.00 25.33 N ATOM 1243 CD2 HIS A 146 -13.775 65.877 15.790 1.00 29.62 C ATOM 1244 CE1 HIS A 146 -15.541 64.803 16.532 1.00 27.45 C ATOM 1245 NE2 HIS A 146 -14.730 64.927 15.496 1.00 26.31 N ATOM 1246 H HIS A 146 -11.241 69.206 18.735 1.00 0.00 H ATOM 1247 N ILE A 147 -10.907 67.484 15.367 1.00 23.62 N ATOM 1248 CA ILE A 147 -10.436 68.078 14.118 1.00 23.09 C ATOM 1249 C ILE A 147 -11.219 67.481 12.961 1.00 24.13 C ATOM 1250 O ILE A 147 -11.417 66.259 12.910 1.00 25.77 O ATOM 1251 CB ILE A 147 -8.928 67.819 13.890 1.00 24.44 C ATOM 1252 CG1 ILE A 147 -8.087 68.196 15.117 1.00 24.42 C ATOM 1253 CG2 ILE A 147 -8.446 68.542 12.631 1.00 24.01 C ATOM 1254 CD1 ILE A 147 -8.143 69.648 15.451 1.00 22.40 C ATOM 1255 H ILE A 147 -10.742 66.469 15.524 1.00 0.00 H ATOM 1256 N PHE A 148 -11.608 68.327 12.002 1.00 22.55 N ATOM 1257 CA PHE A 148 -12.197 67.904 10.737 1.00 23.35 C ATOM 1258 C PHE A 148 -11.375 68.425 9.560 1.00 23.57 C ATOM 1259 O PHE A 148 -10.810 69.508 9.616 1.00 22.38 O ATOM 1260 CB PHE A 148 -13.638 68.404 10.555 1.00 22.37 C ATOM 1261 CG PHE A 148 -14.599 67.946 11.620 1.00 23.57 C ATOM 1262 CD1 PHE A 148 -14.768 68.684 12.776 1.00 22.54 C ATOM 1263 CD2 PHE A 148 -15.362 66.808 11.445 1.00 26.99 C ATOM 1264 CE1 PHE A 148 -15.665 68.295 13.751 1.00 24.94 C ATOM 1265 CE2 PHE A 148 -16.271 66.402 12.424 1.00 24.11 C ATOM 1266 CZ PHE A 148 -16.423 67.159 13.583 1.00 22.67 C ATOM 1267 H PHE A 148 -11.483 69.346 12.168 1.00 0.00 H ATOM 1268 N SER A 149 -11.334 67.660 8.476 1.00 25.27 N ATOM 1269 CA SER A 149 -10.768 68.127 7.211 1.00 25.76 C ATOM 1270 C SER A 149 -11.898 68.330 6.200 1.00 25.82 C ATOM 1271 O SER A 149 -13.068 68.042 6.471 1.00 25.82 O ATOM 1272 CB SER A 149 -9.734 67.130 6.682 1.00 28.02 C ATOM 1273 OG SER A 149 -10.389 66.030 6.082 1.00 29.72 O ATOM 1274 HG SER A 149 -9.714 65.390 5.743 1.00 0.00 H ATOM 1275 H SER A 149 -11.718 66.695 8.528 1.00 0.00 H ATOM 1276 N PHE A 150 -11.556 68.835 5.024 1.00 26.31 N ATOM 1277 CA PHE A 150 -12.543 68.995 3.959 1.00 26.99 C ATOM 1278 C PHE A 150 -12.720 67.728 3.128 1.00 34.65 C ATOM 1279 O PHE A 150 -13.568 67.703 2.225 1.00 31.43 O ATOM 1280 CB PHE A 150 -12.160 70.153 3.037 1.00 26.46 C ATOM 1281 CG PHE A 150 -12.330 71.508 3.662 1.00 25.02 C ATOM 1282 CD1 PHE A 150 -11.354 72.026 4.498 1.00 27.27 C ATOM 1283 CD2 PHE A 150 -13.471 72.268 3.412 1.00 23.42 C ATOM 1284 CE1 PHE A 150 -11.508 73.280 5.079 1.00 21.84 C ATOM 1285 CE2 PHE A 150 -13.640 73.513 3.984 1.00 21.60 C ATOM 1286 CZ PHE A 150 -12.655 74.031 4.820 1.00 21.85 C ATOM 1287 H PHE A 150 -10.570 69.122 4.857 1.00 0.00 H ATOM 1288 N THR A 151 -11.949 66.679 3.412 1.00 30.54 N ATOM 1289 CA THR A 151 -12.006 65.445 2.632 1.00 33.08 C ATOM 1290 C THR A 151 -12.456 64.253 3.473 1.00 34.25 C ATOM 1291 O THR A 151 -12.127 63.105 3.150 1.00 40.09 O ATOM 1292 CB THR A 151 -10.648 65.184 1.989 1.00 34.79 C ATOM 1293 OG1 THR A 151 -9.622 65.324 2.976 1.00 39.90 O ATOM 1294 CG2 THR A 151 -10.401 66.199 0.880 1.00 35.90 C ATOM 1295 HG1 THR A 151 -9.775 64.671 3.704 1.00 0.00 H ATOM 1296 H THR A 151 -11.287 66.740 4.212 1.00 0.00 H ATOM 1297 N GLY A 152 -13.192 64.498 4.549 1.00 32.27 N ATOM 1298 CA GLY A 152 -13.843 63.444 5.296 1.00 35.94 C ATOM 1299 C GLY A 152 -13.056 62.846 6.439 1.00 41.08 C ATOM 1300 O GLY A 152 -13.526 61.876 7.045 1.00 42.06 O ATOM 1301 H GLY A 152 -13.305 65.482 4.867 1.00 0.00 H ATOM 1302 N GLU A 153 -11.880 63.374 6.757 1.00 35.98 N ATOM 1303 CA GLU A 153 -11.121 62.825 7.869 1.00 33.70 C ATOM 1304 C GLU A 153 -11.423 63.579 9.148 1.00 31.01 C ATOM 1305 O GLU A 153 -11.713 64.777 9.140 1.00 28.96 O ATOM 1306 CB GLU A 153 -9.618 62.862 7.600 1.00 34.03 C ATOM 1307 CG GLU A 153 -9.214 62.107 6.365 1.00 42.72 C ATOM 1308 CD GLU A 153 -8.409 62.962 5.428 1.00 54.41 C ATOM 1309 OE1 GLU A 153 -8.782 64.145 5.247 1.00 53.17 O ATOM 1310 OE2 GLU A 153 -7.413 62.455 4.865 1.00 57.27 O ATOM 1311 H GLU A 153 -11.503 64.177 6.213 1.00 0.00 H ATOM 1312 N GLU A 154 -11.338 62.862 10.259 1.00 31.86 N ATOM 1313 CA GLU A 154 -11.466 63.503 11.556 1.00 30.19 C ATOM 1314 C GLU A 154 -10.505 62.814 12.508 1.00 36.34 C ATOM 1315 O GLU A 154 -10.040 61.691 12.260 1.00 39.04 O ATOM 1316 CB GLU A 154 -12.920 63.478 12.063 1.00 29.52 C ATOM 1317 CG GLU A 154 -13.457 62.141 12.501 1.00 48.98 C ATOM 1318 CD GLU A 154 -14.964 62.189 12.733 1.00 44.07 C ATOM 1319 OE1 GLU A 154 -15.688 61.387 12.108 1.00 47.04 O ATOM 1320 OE2 GLU A 154 -15.428 63.038 13.527 1.00 34.88 O ATOM 1321 H GLU A 154 -11.179 61.836 10.202 1.00 0.00 H ATOM 1322 N MET A 155 -10.176 63.528 13.571 1.00 30.47 N ATOM 1323 CA MET A 155 -9.214 63.087 14.569 1.00 36.70 C ATOM 1324 C MET A 155 -9.617 63.752 15.876 1.00 36.57 C ATOM 1325 O MET A 155 -9.713 64.979 15.935 1.00 30.91 O ATOM 1326 CB MET A 155 -7.799 63.486 14.153 1.00 32.65 C ATOM 1327 CG MET A 155 -6.722 63.139 15.149 1.00 52.02 C ATOM 1328 SD MET A 155 -6.248 61.413 15.083 1.00 77.66 S ATOM 1329 CE MET A 155 -5.351 61.249 16.625 1.00 70.17 C ATOM 1330 H MET A 155 -10.629 64.455 13.701 1.00 0.00 H ATOM 1331 N ALA A 156 -9.897 62.960 16.904 1.00 33.71 N ATOM 1332 CA ALA A 156 -10.308 63.508 18.185 1.00 30.87 C ATOM 1333 C ALA A 156 -9.507 62.868 19.308 1.00 32.89 C ATOM 1334 O ALA A 156 -9.003 61.746 19.174 1.00 35.31 O ATOM 1335 CB ALA A 156 -11.807 63.295 18.429 1.00 30.58 C ATOM 1336 H ALA A 156 -9.821 61.929 16.790 1.00 0.00 H ATOM 1337 N THR A 157 -9.401 63.597 20.413 1.00 32.09 N ATOM 1338 CA THR A 157 -8.697 63.124 21.597 1.00 35.09 C ATOM 1339 C THR A 157 -9.208 61.745 22.022 1.00 36.61 C ATOM 1340 O THR A 157 -10.415 61.538 22.189 1.00 36.41 O ATOM 1341 CB THR A 157 -8.874 64.155 22.721 1.00 32.70 C ATOM 1342 OG1 THR A 157 -8.319 65.413 22.310 1.00 30.62 O ATOM 1343 CG2 THR A 157 -8.187 63.720 23.997 1.00 34.89 C ATOM 1344 HG1 THR A 157 -7.355 65.299 22.115 1.00 0.00 H ATOM 1345 H THR A 157 -9.837 64.541 20.434 1.00 0.00 H ATOM 1346 N LYS A 158 -8.282 60.790 22.133 1.00 42.91 N ATOM 1347 CA LYS A 158 -8.567 59.434 22.615 1.00 44.75 C ATOM 1348 C LYS A 158 -9.550 58.690 21.709 1.00 43.87 C ATOM 1349 O LYS A 158 -10.251 57.779 22.158 1.00 46.73 O ATOM 1350 CB LYS A 158 -9.079 59.456 24.064 1.00 42.93 C ATOM 1351 CG LYS A 158 -8.076 59.963 25.122 1.00 46.90 C ATOM 1352 CD LYS A 158 -6.612 59.752 24.711 1.00 60.03 C ATOM 1353 CE LYS A 158 -5.952 61.060 24.233 1.00 62.90 C ATOM 1354 NZ LYS A 158 -4.651 60.865 23.534 1.00 63.56 N ATOM 1355 HZ1 LYS A 158 -3.979 60.400 24.178 1.00 0.00 H ATOM 1356 HZ2 LYS A 158 -4.796 60.270 22.694 1.00 0.00 H ATOM 1357 HZ3 LYS A 158 -4.272 61.789 23.245 1.00 0.00 H ATOM 1358 H LYS A 158 -7.304 61.020 21.863 1.00 0.00 H ATOM 1359 N ALA A 159 -9.602 59.070 20.429 1.00 40.99 N ATOM 1360 CA ALA A 159 -10.578 58.538 19.475 1.00 42.22 C ATOM 1361 C ALA A 159 -11.993 58.550 20.059 1.00 49.43 C ATOM 1362 O ALA A 159 -12.807 57.662 19.802 1.00 42.29 O ATOM 1363 CB ALA A 159 -10.182 57.138 19.004 1.00 44.27 C ATOM 1364 H ALA A 159 -8.917 59.777 20.094 1.00 0.00 H ATOM 1365 N ASP A 160 -12.280 59.573 20.865 1.00 38.83 N ATOM 1366 CA ASP A 160 -13.602 59.810 21.436 1.00 40.52 C ATOM 1367 C ASP A 160 -14.219 60.952 20.638 1.00 40.77 C ATOM 1368 O ASP A 160 -13.827 62.112 20.803 1.00 33.13 O ATOM 1369 CB ASP A 160 -13.494 60.161 22.920 1.00 40.51 C ATOM 1370 CG ASP A 160 -14.846 60.447 23.564 1.00 41.56 C ATOM 1371 OD1 ASP A 160 -15.860 60.535 22.842 1.00 37.28 O ATOM 1372 OD2 ASP A 160 -14.898 60.569 24.809 1.00 42.92 O ATOM 1373 H ASP A 160 -11.518 60.240 21.100 1.00 0.00 H ATOM 1374 N TYR A 161 -15.172 60.628 19.763 1.00 35.34 N ATOM 1375 CA TYR A 161 -15.645 61.602 18.786 1.00 42.36 C ATOM 1376 C TYR A 161 -16.862 62.377 19.256 1.00 31.56 C ATOM 1377 O TYR A 161 -17.433 63.133 18.463 1.00 29.88 O ATOM 1378 CB TYR A 161 -15.940 60.900 17.460 1.00 36.64 C ATOM 1379 CG TYR A 161 -14.682 60.383 16.797 1.00 34.90 C ATOM 1380 CD1 TYR A 161 -13.734 61.255 16.276 1.00 39.99 C ATOM 1381 CD2 TYR A 161 -14.436 59.018 16.708 1.00 46.36 C ATOM 1382 CE1 TYR A 161 -12.576 60.780 15.671 1.00 43.89 C ATOM 1383 CE2 TYR A 161 -13.284 58.536 16.109 1.00 50.25 C ATOM 1384 CZ TYR A 161 -12.360 59.422 15.595 1.00 54.99 C ATOM 1385 OH TYR A 161 -11.219 58.938 14.997 1.00 59.02 O ATOM 1386 HH TYR A 161 -10.665 59.696 14.684 1.00 0.00 H ATOM 1387 H TYR A 161 -15.582 59.672 19.778 1.00 0.00 H ATOM 1388 N THR A 162 -17.280 62.172 20.511 1.00 32.54 N ATOM 1389 CA THR A 162 -18.319 62.926 21.203 1.00 34.73 C ATOM 1390 C THR A 162 -19.712 62.740 20.612 1.00 34.58 C ATOM 1391 O THR A 162 -20.638 62.337 21.323 1.00 36.55 O ATOM 1392 CB THR A 162 -17.957 64.410 21.231 1.00 30.26 C ATOM 1393 OG1 THR A 162 -16.745 64.570 21.968 1.00 29.36 O ATOM 1394 CG2 THR A 162 -19.044 65.213 21.903 1.00 31.64 C ATOM 1395 HG1 THR A 162 -16.023 64.055 21.529 1.00 0.00 H ATOM 1396 H THR A 162 -16.821 61.404 21.042 1.00 0.00 H ATOM 1397 N LEU A 163 -19.882 63.055 19.336 1.00 30.78 N ATOM 1398 CA LEU A 163 -21.177 62.947 18.688 1.00 31.19 C ATOM 1399 C LEU A 163 -21.352 61.562 18.076 1.00 33.72 C ATOM 1400 O LEU A 163 -20.403 60.785 17.962 1.00 36.23 O ATOM 1401 CB LEU A 163 -21.330 63.997 17.596 1.00 29.00 C ATOM 1402 CG LEU A 163 -21.056 65.436 18.010 1.00 26.50 C ATOM 1403 CD1 LEU A 163 -20.938 66.286 16.773 1.00 24.81 C ATOM 1404 CD2 LEU A 163 -22.187 65.889 18.901 1.00 28.82 C ATOM 1405 H LEU A 163 -19.066 63.388 18.784 1.00 0.00 H ATOM 1406 N ASP A 164 -22.573 61.279 17.628 1.00 34.72 N ATOM 1407 CA ASP A 164 -22.819 60.015 16.943 1.00 37.24 C ATOM 1408 C ASP A 164 -22.437 60.119 15.462 1.00 39.84 C ATOM 1409 O ASP A 164 -22.264 61.212 14.912 1.00 34.22 O ATOM 1410 CB ASP A 164 -24.280 59.574 17.118 1.00 40.04 C ATOM 1411 CG ASP A 164 -25.290 60.589 16.591 1.00 49.37 C ATOM 1412 OD1 ASP A 164 -26.468 60.508 17.005 1.00 57.16 O ATOM 1413 OD2 ASP A 164 -24.932 61.456 15.765 1.00 55.32 O ATOM 1414 H ASP A 164 -23.349 61.957 17.766 1.00 0.00 H ATOM 1415 N GLU A 165 -22.305 58.949 14.817 1.00 38.85 N ATOM 1416 CA GLU A 165 -21.789 58.902 13.449 1.00 38.66 C ATOM 1417 C GLU A 165 -22.634 59.750 12.502 1.00 38.39 C ATOM 1418 O GLU A 165 -22.097 60.368 11.576 1.00 41.78 O ATOM 1419 CB GLU A 165 -21.709 57.451 12.953 1.00 41.78 C ATOM 1420 H GLU A 165 -22.573 58.065 15.296 1.00 0.00 H ATOM 1421 N GLU A 166 -23.957 59.796 12.716 1.00 38.05 N ATOM 1422 CA GLU A 166 -24.823 60.578 11.837 1.00 38.26 C ATOM 1423 C GLU A 166 -24.524 62.071 11.933 1.00 39.91 C ATOM 1424 O GLU A 166 -24.481 62.769 10.913 1.00 38.99 O ATOM 1425 CB GLU A 166 -26.290 60.319 12.167 1.00 43.99 C ATOM 1426 H GLU A 166 -24.370 59.271 13.513 1.00 0.00 H ATOM 1427 N SER A 167 -24.344 62.589 13.148 1.00 35.40 N ATOM 1428 CA SER A 167 -24.028 64.007 13.289 1.00 31.71 C ATOM 1429 C SER A 167 -22.680 64.333 12.653 1.00 28.88 C ATOM 1430 O SER A 167 -22.551 65.326 11.931 1.00 29.83 O ATOM 1431 CB SER A 167 -24.049 64.415 14.760 1.00 36.65 C ATOM 1432 OG SER A 167 -25.353 64.269 15.300 1.00 45.65 O ATOM 1433 HG SER A 167 -25.346 64.538 16.253 1.00 0.00 H ATOM 1434 H SER A 167 -24.428 61.986 13.991 1.00 0.00 H ATOM 1435 N ARG A 168 -21.665 63.504 12.906 1.00 29.74 N ATOM 1436 CA ARG A 168 -20.350 63.754 12.323 1.00 28.98 C ATOM 1437 C ARG A 168 -20.392 63.655 10.804 1.00 30.36 C ATOM 1438 O ARG A 168 -19.750 64.450 10.107 1.00 28.55 O ATOM 1439 CB ARG A 168 -19.321 62.781 12.900 1.00 33.70 C ATOM 1440 CG ARG A 168 -18.951 63.080 14.346 1.00 37.06 C ATOM 1441 CD ARG A 168 -18.869 61.811 15.164 1.00 39.36 C ATOM 1442 NE ARG A 168 -17.925 60.866 14.583 1.00 43.11 N ATOM 1443 CZ ARG A 168 -17.848 59.588 14.937 1.00 49.66 C ATOM 1444 NH1 ARG A 168 -18.654 59.105 15.879 1.00 52.63 N ATOM 1445 NH2 ARG A 168 -16.959 58.802 14.358 1.00 45.86 N ATOM 1446 HE ARG A 168 -17.274 61.212 13.849 1.00 0.00 H ATOM 1447 HH12 ARG A 168 -18.591 58.104 16.154 1.00 0.00 H ATOM 1448 HH11 ARG A 168 -19.347 59.729 16.340 1.00 0.00 H ATOM 1449 HH22 ARG A 168 -16.894 57.801 14.631 1.00 0.00 H ATOM 1450 HH21 ARG A 168 -16.324 59.184 13.629 1.00 0.00 H ATOM 1451 H ARG A 168 -21.811 62.678 13.520 1.00 0.00 H ATOM 1452 N ALA A 169 -21.129 62.674 10.271 1.00 31.89 N ATOM 1453 CA ALA A 169 -21.292 62.587 8.823 1.00 32.84 C ATOM 1454 C ALA A 169 -21.908 63.861 8.253 1.00 31.29 C ATOM 1455 O ALA A 169 -21.524 64.312 7.167 1.00 31.12 O ATOM 1456 CB ALA A 169 -22.136 61.358 8.458 1.00 35.59 C ATOM 1457 H ALA A 169 -21.586 61.973 10.889 1.00 0.00 H ATOM 1458 N ARG A 170 -22.849 64.474 8.976 1.00 30.33 N ATOM 1459 CA ARG A 170 -23.466 65.691 8.451 1.00 29.10 C ATOM 1460 C ARG A 170 -22.456 66.840 8.378 1.00 26.95 C ATOM 1461 O ARG A 170 -22.458 67.619 7.418 1.00 26.53 O ATOM 1462 CB ARG A 170 -24.666 66.093 9.302 1.00 41.28 C ATOM 1463 CG ARG A 170 -25.544 67.140 8.638 1.00 46.88 C ATOM 1464 CD ARG A 170 -26.159 68.096 9.655 1.00 50.20 C ATOM 1465 NE ARG A 170 -26.600 69.347 9.037 1.00 56.43 N ATOM 1466 CZ ARG A 170 -26.871 70.466 9.707 1.00 57.88 C ATOM 1467 NH1 ARG A 170 -26.745 70.504 11.028 1.00 59.00 N ATOM 1468 NH2 ARG A 170 -27.264 71.554 9.052 1.00 62.09 N ATOM 1469 HE ARG A 170 -26.709 69.364 8.003 1.00 0.00 H ATOM 1470 HH12 ARG A 170 -26.958 71.380 11.546 1.00 0.00 H ATOM 1471 HH11 ARG A 170 -26.433 69.657 11.545 1.00 0.00 H ATOM 1472 HH22 ARG A 170 -27.476 72.428 9.575 1.00 0.00 H ATOM 1473 HH21 ARG A 170 -27.360 71.531 8.017 1.00 0.00 H ATOM 1474 H ARG A 170 -23.138 64.091 9.899 1.00 0.00 H ATOM 1475 N ILE A 171 -21.583 66.951 9.380 1.00 25.79 N ATOM 1476 CA ILE A 171 -20.510 67.947 9.336 1.00 24.05 C ATOM 1477 C ILE A 171 -19.542 67.646 8.192 1.00 30.06 C ATOM 1478 O ILE A 171 -19.214 68.524 7.386 1.00 24.21 O ATOM 1479 CB ILE A 171 -19.785 67.995 10.689 1.00 25.98 C ATOM 1480 CG1 ILE A 171 -20.691 68.629 11.749 1.00 28.65 C ATOM 1481 CG2 ILE A 171 -18.484 68.787 10.587 1.00 21.77 C ATOM 1482 CD1 ILE A 171 -20.142 68.510 13.162 1.00 22.44 C ATOM 1483 H ILE A 171 -21.665 66.322 10.204 1.00 0.00 H ATOM 1484 N LYS A 172 -19.062 66.400 8.110 1.00 26.55 N ATOM 1485 CA LYS A 172 -18.115 66.044 7.053 1.00 27.62 C ATOM 1486 C LYS A 172 -18.715 66.276 5.668 1.00 28.46 C ATOM 1487 O LYS A 172 -18.017 66.721 4.747 1.00 28.52 O ATOM 1488 CB LYS A 172 -17.665 64.590 7.219 1.00 30.93 C ATOM 1489 CG LYS A 172 -16.917 64.343 8.513 1.00 29.13 C ATOM 1490 CD LYS A 172 -16.395 62.916 8.594 1.00 32.76 C ATOM 1491 CE LYS A 172 -17.245 62.084 9.513 1.00 41.89 C ATOM 1492 NZ LYS A 172 -16.595 60.764 9.814 1.00 40.67 N ATOM 1493 HZ1 LYS A 172 -16.454 60.238 8.928 1.00 0.00 H ATOM 1494 HZ2 LYS A 172 -15.676 60.928 10.272 1.00 0.00 H ATOM 1495 HZ3 LYS A 172 -17.207 60.215 10.450 1.00 0.00 H ATOM 1496 H LYS A 172 -19.363 65.682 8.800 1.00 0.00 H ATOM 1497 N THR A 173 -20.010 65.993 5.508 1.00 29.31 N ATOM 1498 CA THR A 173 -20.670 66.216 4.230 1.00 30.33 C ATOM 1499 C THR A 173 -20.757 67.693 3.898 1.00 28.67 C ATOM 1500 O THR A 173 -20.560 68.098 2.750 1.00 29.24 O ATOM 1501 CB THR A 173 -22.058 65.586 4.251 1.00 39.18 C ATOM 1502 OG1 THR A 173 -21.912 64.162 4.207 1.00 36.43 O ATOM 1503 CG2 THR A 173 -22.877 66.039 3.048 1.00 39.37 C ATOM 1504 HG1 THR A 173 -21.392 63.860 4.993 1.00 0.00 H ATOM 1505 H THR A 173 -20.554 65.608 6.307 1.00 0.00 H ATOM 1506 N ARG A 174 -21.053 68.524 4.887 1.00 26.79 N ATOM 1507 CA ARG A 174 -21.068 69.954 4.639 1.00 25.30 C ATOM 1508 C ARG A 174 -19.700 70.450 4.181 1.00 24.73 C ATOM 1509 O ARG A 174 -19.606 71.235 3.234 1.00 24.80 O ATOM 1510 CB ARG A 174 -21.517 70.673 5.908 1.00 23.55 C ATOM 1511 CG ARG A 174 -21.535 72.183 5.792 1.00 22.06 C ATOM 1512 CD ARG A 174 -22.406 72.750 4.661 1.00 22.91 C ATOM 1513 NE ARG A 174 -22.350 74.218 4.723 1.00 21.49 N ATOM 1514 CZ ARG A 174 -22.418 75.042 3.678 1.00 30.14 C ATOM 1515 NH1 ARG A 174 -22.597 74.571 2.447 1.00 27.91 N ATOM 1516 NH2 ARG A 174 -22.354 76.356 3.868 1.00 27.57 N ATOM 1517 HE ARG A 174 -22.249 74.650 5.663 1.00 0.00 H ATOM 1518 HH12 ARG A 174 -22.648 75.227 1.642 1.00 0.00 H ATOM 1519 HH11 ARG A 174 -22.686 73.547 2.290 1.00 0.00 H ATOM 1520 HH22 ARG A 174 -22.407 77.002 3.055 1.00 0.00 H ATOM 1521 HH21 ARG A 174 -22.251 76.738 4.830 1.00 0.00 H ATOM 1522 H ARG A 174 -21.273 68.154 5.834 1.00 0.00 H ATOM 1523 N LEU A 175 -18.625 69.982 4.826 1.00 24.41 N ATOM 1524 CA LEU A 175 -17.299 70.467 4.447 1.00 24.03 C ATOM 1525 C LEU A 175 -16.938 70.007 3.045 1.00 25.93 C ATOM 1526 O LEU A 175 -16.365 70.760 2.250 1.00 25.93 O ATOM 1527 CB LEU A 175 -16.263 69.991 5.458 1.00 23.62 C ATOM 1528 CG LEU A 175 -16.355 70.589 6.856 1.00 21.78 C ATOM 1529 CD1 LEU A 175 -15.548 69.817 7.877 1.00 21.94 C ATOM 1530 CD2 LEU A 175 -15.888 72.042 6.803 1.00 20.26 C ATOM 1531 H LEU A 175 -18.732 69.282 5.588 1.00 0.00 H ATOM 1532 N PHE A 176 -17.272 68.763 2.721 1.00 27.76 N ATOM 1533 CA PHE A 176 -17.041 68.286 1.365 1.00 29.84 C ATOM 1534 C PHE A 176 -17.821 69.117 0.350 1.00 30.11 C ATOM 1535 O PHE A 176 -17.303 69.461 -0.717 1.00 31.03 O ATOM 1536 CB PHE A 176 -17.434 66.821 1.287 1.00 31.86 C ATOM 1537 CG PHE A 176 -17.126 66.191 -0.026 1.00 34.28 C ATOM 1538 CD1 PHE A 176 -15.814 65.935 -0.395 1.00 35.10 C ATOM 1539 CD2 PHE A 176 -18.149 65.851 -0.888 1.00 35.95 C ATOM 1540 CE1 PHE A 176 -15.531 65.329 -1.621 1.00 41.04 C ATOM 1541 CE2 PHE A 176 -17.873 65.237 -2.112 1.00 38.44 C ATOM 1542 CZ PHE A 176 -16.568 64.991 -2.471 1.00 39.23 C ATOM 1543 H PHE A 176 -17.696 68.133 3.432 1.00 0.00 H ATOM 1544 N THR A 177 -19.057 69.486 0.689 1.00 29.47 N ATOM 1545 CA THR A 177 -19.856 70.316 -0.202 1.00 29.84 C ATOM 1546 C THR A 177 -19.202 71.677 -0.412 1.00 37.37 C ATOM 1547 O THR A 177 -19.173 72.196 -1.533 1.00 29.52 O ATOM 1548 CB THR A 177 -21.264 70.475 0.370 1.00 30.86 C ATOM 1549 OG1 THR A 177 -21.896 69.190 0.436 1.00 35.32 O ATOM 1550 CG2 THR A 177 -22.092 71.384 -0.508 1.00 33.16 C ATOM 1551 HG1 THR A 177 -21.366 68.592 1.020 1.00 0.00 H ATOM 1552 H THR A 177 -19.454 69.178 1.599 1.00 0.00 H ATOM 1553 N ILE A 178 -18.660 72.269 0.656 1.00 26.46 N ATOM 1554 CA ILE A 178 -17.964 73.549 0.508 1.00 25.34 C ATOM 1555 C ILE A 178 -16.773 73.400 -0.433 1.00 26.58 C ATOM 1556 O ILE A 178 -16.579 74.196 -1.361 1.00 27.16 O ATOM 1557 CB ILE A 178 -17.532 74.083 1.883 1.00 23.16 C ATOM 1558 CG1 ILE A 178 -18.756 74.553 2.681 1.00 22.05 C ATOM 1559 CG2 ILE A 178 -16.522 75.227 1.704 1.00 22.36 C ATOM 1560 CD1 ILE A 178 -18.477 74.825 4.183 1.00 20.21 C ATOM 1561 H ILE A 178 -18.732 71.821 1.592 1.00 0.00 H ATOM 1562 N ARG A 179 -15.973 72.352 -0.222 1.00 27.28 N ATOM 1563 CA ARG A 179 -14.809 72.106 -1.067 1.00 28.75 C ATOM 1564 C ARG A 179 -15.212 71.974 -2.533 1.00 34.52 C ATOM 1565 O ARG A 179 -14.623 72.617 -3.415 1.00 31.74 O ATOM 1566 CB ARG A 179 -14.084 70.850 -0.572 1.00 29.49 C ATOM 1567 CG ARG A 179 -12.837 70.415 -1.407 1.00 31.40 C ATOM 1568 CD ARG A 179 -12.937 68.962 -1.835 1.00 54.01 C ATOM 1569 NE ARG A 179 -11.629 68.370 -2.136 1.00 51.41 N ATOM 1570 CZ ARG A 179 -11.078 68.317 -3.346 1.00 56.84 C ATOM 1571 NH1 ARG A 179 -11.716 68.807 -4.408 1.00 60.67 N ATOM 1572 NH2 ARG A 179 -9.877 67.769 -3.494 1.00 53.55 N ATOM 1573 HE ARG A 179 -11.092 67.961 -1.345 1.00 0.00 H ATOM 1574 HH12 ARG A 179 -11.274 68.759 -5.348 1.00 0.00 H ATOM 1575 HH11 ARG A 179 -12.656 69.237 -4.297 1.00 0.00 H ATOM 1576 HH22 ARG A 179 -9.439 67.723 -4.436 1.00 0.00 H ATOM 1577 HH21 ARG A 179 -9.375 67.386 -2.668 1.00 0.00 H ATOM 1578 H ARG A 179 -16.183 71.699 0.559 1.00 0.00 H ATOM 1579 N GLN A 180 -16.248 71.175 -2.805 1.00 32.07 N ATOM 1580 CA GLN A 180 -16.693 70.960 -4.181 1.00 38.61 C ATOM 1581 C GLN A 180 -17.206 72.250 -4.812 1.00 36.59 C ATOM 1582 O GLN A 180 -17.001 72.489 -6.009 1.00 36.02 O ATOM 1583 CB GLN A 180 -17.775 69.883 -4.213 1.00 37.72 C ATOM 1584 CG GLN A 180 -17.263 68.526 -3.823 1.00 36.59 C ATOM 1585 CD GLN A 180 -16.083 68.119 -4.689 1.00 42.16 C ATOM 1586 OE1 GLN A 180 -16.238 67.837 -5.876 1.00 47.39 O ATOM 1587 NE2 GLN A 180 -14.892 68.125 -4.108 1.00 45.86 N ATOM 1588 HE22 GLN A 180 -14.806 68.370 -3.101 1.00 0.00 H ATOM 1589 HE21 GLN A 180 -14.043 67.885 -4.659 1.00 0.00 H ATOM 1590 H GLN A 180 -16.746 70.699 -2.026 1.00 0.00 H ATOM 1591 N GLU A 181 -17.875 73.088 -4.023 1.00 32.21 N ATOM 1592 CA GLU A 181 -18.342 74.379 -4.520 1.00 31.99 C ATOM 1593 C GLU A 181 -17.178 75.304 -4.853 1.00 42.73 C ATOM 1594 O GLU A 181 -17.157 75.918 -5.928 1.00 33.14 O ATOM 1595 CB GLU A 181 -19.259 75.038 -3.493 1.00 29.99 C ATOM 1596 CG GLU A 181 -20.687 74.587 -3.594 1.00 44.48 C ATOM 1597 CD GLU A 181 -21.314 74.969 -4.927 1.00 57.29 C ATOM 1598 OE1 GLU A 181 -20.893 75.996 -5.520 1.00 60.94 O ATOM 1599 OE2 GLU A 181 -22.217 74.232 -5.381 1.00 56.06 O ATOM 1600 H GLU A 181 -18.068 72.819 -3.037 1.00 0.00 H ATOM 1601 N MET A 182 -16.205 75.439 -3.936 1.00 30.08 N ATOM 1602 CA MET A 182 -15.026 76.233 -4.268 1.00 30.14 C ATOM 1603 C MET A 182 -14.339 75.723 -5.527 1.00 32.76 C ATOM 1604 O MET A 182 -13.920 76.510 -6.380 1.00 33.99 O ATOM 1605 CB MET A 182 -14.028 76.258 -3.114 1.00 28.42 C ATOM 1606 CG MET A 182 -14.602 76.812 -1.789 1.00 25.92 C ATOM 1607 SD MET A 182 -13.255 76.659 -0.609 1.00 26.28 S ATOM 1608 CE MET A 182 -12.178 77.599 -1.631 1.00 45.49 C ATOM 1609 H MET A 182 -16.291 74.985 -3.004 1.00 0.00 H ATOM 1610 N ALA A 183 -14.191 74.406 -5.648 1.00 33.99 N ATOM 1611 CA ALA A 183 -13.491 73.856 -6.801 1.00 36.68 C ATOM 1612 C ALA A 183 -14.205 74.211 -8.100 1.00 38.70 C ATOM 1613 O ALA A 183 -13.560 74.593 -9.082 1.00 40.76 O ATOM 1614 CB ALA A 183 -13.349 72.343 -6.643 1.00 37.74 C ATOM 1615 H ALA A 183 -14.575 73.770 -4.920 1.00 0.00 H ATOM 1616 N SER A 184 -15.539 74.119 -8.116 1.00 38.60 N ATOM 1617 CA SER A 184 -16.306 74.481 -9.306 1.00 40.65 C ATOM 1618 C SER A 184 -16.137 75.944 -9.691 1.00 43.08 C ATOM 1619 O SER A 184 -16.489 76.319 -10.815 1.00 47.18 O ATOM 1620 CB SER A 184 -17.788 74.184 -9.098 1.00 40.49 C ATOM 1621 OG SER A 184 -18.429 75.259 -8.428 1.00 53.69 O ATOM 1622 HG SER A 184 -18.004 75.396 -7.545 1.00 0.00 H ATOM 1623 H SER A 184 -16.039 73.784 -7.268 1.00 0.00 H ATOM 1624 N ARG A 185 -15.628 76.779 -8.786 1.00 38.26 N ATOM 1625 CA ARG A 185 -15.321 78.172 -9.074 1.00 38.34 C ATOM 1626 C ARG A 185 -13.825 78.413 -9.211 1.00 38.93 C ATOM 1627 O ARG A 185 -13.398 79.571 -9.250 1.00 38.88 O ATOM 1628 CB ARG A 185 -15.901 79.072 -7.979 1.00 35.63 C ATOM 1629 CG ARG A 185 -17.402 78.919 -7.796 1.00 35.19 C ATOM 1630 CD ARG A 185 -17.921 79.772 -6.662 1.00 32.67 C ATOM 1631 NE ARG A 185 -19.319 79.479 -6.360 1.00 44.07 N ATOM 1632 CZ ARG A 185 -20.238 80.398 -6.068 1.00 48.69 C ATOM 1633 NH1 ARG A 185 -19.919 81.695 -6.027 1.00 36.98 N ATOM 1634 NH2 ARG A 185 -21.483 80.016 -5.811 1.00 52.28 N ATOM 1635 HE ARG A 185 -19.618 78.483 -6.374 1.00 0.00 H ATOM 1636 HH12 ARG A 185 -20.646 82.402 -5.798 1.00 0.00 H ATOM 1637 HH11 ARG A 185 -18.944 81.997 -6.224 1.00 0.00 H ATOM 1638 HH22 ARG A 185 -22.208 80.726 -5.582 1.00 0.00 H ATOM 1639 HH21 ARG A 185 -21.734 79.007 -5.839 1.00 0.00 H ATOM 1640 H ARG A 185 -15.441 76.418 -7.829 1.00 0.00 H ATOM 1641 N SER A 186 -13.019 77.347 -9.276 1.00 39.77 N ATOM 1642 CA SER A 186 -11.558 77.447 -9.313 1.00 40.48 C ATOM 1643 C SER A 186 -10.998 78.192 -8.104 1.00 37.95 C ATOM 1644 O SER A 186 -9.937 78.813 -8.187 1.00 38.56 O ATOM 1645 CB SER A 186 -11.063 78.108 -10.608 1.00 43.37 C ATOM 1646 OG SER A 186 -11.233 77.251 -11.710 1.00 46.14 O ATOM 1647 HG SER A 186 -10.907 77.700 -12.530 1.00 0.00 H ATOM 1648 H SER A 186 -13.451 76.401 -9.302 1.00 0.00 H ATOM 1649 N LEU A 187 -11.694 78.142 -6.965 1.00 39.01 N ATOM 1650 CA LEU A 187 -11.206 78.780 -5.751 1.00 32.97 C ATOM 1651 C LEU A 187 -10.463 77.826 -4.830 1.00 32.09 C ATOM 1652 O LEU A 187 -9.778 78.291 -3.909 1.00 30.71 O ATOM 1653 CB LEU A 187 -12.368 79.408 -4.965 1.00 30.71 C ATOM 1654 CG LEU A 187 -13.269 80.344 -5.755 1.00 33.83 C ATOM 1655 CD1 LEU A 187 -14.495 80.742 -4.925 1.00 29.51 C ATOM 1656 CD2 LEU A 187 -12.469 81.552 -6.190 1.00 35.72 C ATOM 1657 H LEU A 187 -12.603 77.637 -6.945 1.00 0.00 H ATOM 1658 N TRP A 188 -10.588 76.510 -5.046 1.00 33.04 N ATOM 1659 CA TRP A 188 -10.147 75.558 -4.034 1.00 32.09 C ATOM 1660 C TRP A 188 -8.630 75.496 -3.943 1.00 40.36 C ATOM 1661 O TRP A 188 -8.075 75.408 -2.837 1.00 31.72 O ATOM 1662 CB TRP A 188 -10.710 74.169 -4.333 1.00 40.11 C ATOM 1663 CG TRP A 188 -10.083 73.116 -3.480 1.00 37.84 C ATOM 1664 CD1 TRP A 188 -9.177 72.165 -3.873 1.00 40.47 C ATOM 1665 CD2 TRP A 188 -10.276 72.931 -2.076 1.00 34.43 C ATOM 1666 NE1 TRP A 188 -8.816 71.386 -2.798 1.00 34.34 N ATOM 1667 CE2 TRP A 188 -9.472 71.839 -1.683 1.00 39.56 C ATOM 1668 CE3 TRP A 188 -11.062 73.573 -1.113 1.00 31.86 C ATOM 1669 CZ2 TRP A 188 -9.437 71.376 -0.369 1.00 30.48 C ATOM 1670 CZ3 TRP A 188 -11.022 73.119 0.188 1.00 31.14 C ATOM 1671 CH2 TRP A 188 -10.216 72.034 0.552 1.00 30.19 C ATOM 1672 HE1 TRP A 188 -8.154 70.585 -2.827 1.00 0.00 H ATOM 1673 H TRP A 188 -11.000 76.167 -5.937 1.00 0.00 H ATOM 1674 N ASP A 189 -7.946 75.526 -5.097 1.00 35.59 N ATOM 1675 CA ASP A 189 -6.491 75.395 -5.103 1.00 41.71 C ATOM 1676 C ASP A 189 -5.833 76.466 -4.251 1.00 35.84 C ATOM 1677 O ASP A 189 -4.920 76.176 -3.466 1.00 35.31 O ATOM 1678 CB ASP A 189 -5.945 75.470 -6.530 1.00 46.97 C ATOM 1679 CG ASP A 189 -4.417 75.562 -6.566 1.00 61.01 C ATOM 1680 OD1 ASP A 189 -3.755 74.626 -6.062 1.00 61.11 O ATOM 1681 OD2 ASP A 189 -3.876 76.574 -7.080 1.00 64.95 O ATOM 1682 H ASP A 189 -8.456 75.644 -5.995 1.00 0.00 H ATOM 1683 N SER A 190 -6.266 77.714 -4.407 1.00 34.75 N ATOM 1684 CA SER A 190 -5.700 78.767 -3.580 1.00 34.47 C ATOM 1685 C SER A 190 -6.094 78.594 -2.109 1.00 35.52 C ATOM 1686 O SER A 190 -5.256 78.744 -1.210 1.00 30.10 O ATOM 1687 CB SER A 190 -6.144 80.128 -4.103 1.00 34.59 C ATOM 1688 OG SER A 190 -5.718 81.138 -3.216 1.00 33.95 O ATOM 1689 HG SER A 190 -6.117 80.982 -2.324 1.00 0.00 H ATOM 1690 H SER A 190 -6.999 77.933 -5.111 1.00 0.00 H ATOM 1691 N PHE A 191 -7.355 78.264 -1.839 1.00 29.22 N ATOM 1692 CA PHE A 191 -7.783 78.106 -0.450 1.00 26.83 C ATOM 1693 C PHE A 191 -7.037 76.973 0.235 1.00 27.11 C ATOM 1694 O PHE A 191 -6.580 77.123 1.376 1.00 25.93 O ATOM 1695 CB PHE A 191 -9.282 77.840 -0.415 1.00 25.74 C ATOM 1696 CG PHE A 191 -9.856 77.657 0.963 1.00 23.54 C ATOM 1697 CD1 PHE A 191 -10.046 78.742 1.803 1.00 21.80 C ATOM 1698 CD2 PHE A 191 -10.259 76.395 1.392 1.00 30.51 C ATOM 1699 CE1 PHE A 191 -10.590 78.570 3.066 1.00 20.02 C ATOM 1700 CE2 PHE A 191 -10.792 76.216 2.654 1.00 21.73 C ATOM 1701 CZ PHE A 191 -10.967 77.301 3.486 1.00 20.01 C ATOM 1702 H PHE A 191 -8.034 78.119 -2.614 1.00 0.00 H ATOM 1703 N ARG A 192 -6.905 75.834 -0.451 1.00 28.86 N ATOM 1704 CA ARG A 192 -6.304 74.655 0.159 1.00 29.42 C ATOM 1705 C ARG A 192 -4.851 74.893 0.552 1.00 36.66 C ATOM 1706 O ARG A 192 -4.342 74.232 1.465 1.00 33.77 O ATOM 1707 CB ARG A 192 -6.404 73.470 -0.798 1.00 35.28 C ATOM 1708 CG ARG A 192 -5.981 72.151 -0.184 1.00 43.80 C ATOM 1709 CD ARG A 192 -4.926 71.478 -1.024 1.00 51.00 C ATOM 1710 NE ARG A 192 -5.118 71.747 -2.442 1.00 52.28 N ATOM 1711 CZ ARG A 192 -4.133 71.770 -3.333 1.00 57.64 C ATOM 1712 NH1 ARG A 192 -2.881 71.547 -2.942 1.00 58.54 N ATOM 1713 NH2 ARG A 192 -4.399 72.020 -4.612 1.00 60.37 N ATOM 1714 HE ARG A 192 -6.085 71.932 -2.778 1.00 0.00 H ATOM 1715 HH12 ARG A 192 -2.108 71.564 -3.638 1.00 0.00 H ATOM 1716 HH11 ARG A 192 -2.675 71.355 -1.941 1.00 0.00 H ATOM 1717 HH22 ARG A 192 -3.628 72.038 -5.310 1.00 0.00 H ATOM 1718 HH21 ARG A 192 -5.378 72.197 -4.914 1.00 0.00 H ATOM 1719 H ARG A 192 -7.236 75.788 -1.436 1.00 0.00 H ATOM 1720 N GLN A 193 -4.164 75.815 -0.127 1.00 31.28 N ATOM 1721 CA GLN A 193 -2.757 76.081 0.135 1.00 32.47 C ATOM 1722 C GLN A 193 -2.546 77.315 0.989 1.00 30.88 C ATOM 1723 O GLN A 193 -1.420 77.807 1.087 1.00 34.24 O ATOM 1724 CB GLN A 193 -1.997 76.229 -1.180 1.00 35.27 C ATOM 1725 CG GLN A 193 -2.043 75.004 -2.035 1.00 39.46 C ATOM 1726 CD GLN A 193 -0.959 75.018 -3.079 1.00 47.89 C ATOM 1727 OE1 GLN A 193 -1.223 75.296 -4.249 1.00 50.08 O ATOM 1728 NE2 GLN A 193 0.274 74.715 -2.667 1.00 48.37 N ATOM 1729 HE22 GLN A 193 0.447 74.487 -1.667 1.00 0.00 H ATOM 1730 HE21 GLN A 193 1.062 74.707 -3.346 1.00 0.00 H ATOM 1731 H GLN A 193 -4.650 76.361 -0.867 1.00 0.00 H ATOM 1732 N SER A 194 -3.602 77.822 1.614 1.00 30.05 N ATOM 1733 CA SER A 194 -3.541 79.097 2.304 1.00 27.15 C ATOM 1734 C SER A 194 -3.371 78.930 3.805 1.00 33.06 C ATOM 1735 O SER A 194 -3.222 79.927 4.524 1.00 30.49 O ATOM 1736 CB SER A 194 -4.801 79.913 1.984 1.00 33.17 C ATOM 1737 OG SER A 194 -5.960 79.347 2.599 1.00 39.63 O ATOM 1738 HG SER A 194 -6.091 78.424 2.267 1.00 0.00 H ATOM 1739 H SER A 194 -4.496 77.291 1.609 1.00 0.00 H ATOM 1740 N GLU A 195 -3.403 77.700 4.306 1.00 27.85 N ATOM 1741 CA GLU A 195 -3.265 77.473 5.735 1.00 31.03 C ATOM 1742 C GLU A 195 -1.786 77.347 6.073 1.00 37.96 C ATOM 1743 O GLU A 195 -1.027 76.694 5.348 1.00 39.94 O ATOM 1744 CB GLU A 195 -4.027 76.211 6.146 1.00 34.18 C ATOM 1745 CG GLU A 195 -4.086 75.961 7.643 1.00 30.09 C ATOM 1746 CD GLU A 195 -4.927 74.730 7.957 1.00 34.31 C ATOM 1747 OE1 GLU A 195 -6.151 74.820 7.755 1.00 36.10 O ATOM 1748 OE2 GLU A 195 -4.368 73.679 8.371 1.00 29.57 O ATOM 1749 H GLU A 195 -3.528 76.889 3.667 1.00 0.00 H ATOM 1750 N ARG A 196 -1.374 77.987 7.163 1.00 45.18 N ATOM 1751 CA ARG A 196 0.030 78.029 7.542 1.00 45.47 C ATOM 1752 C ARG A 196 0.225 77.395 8.914 1.00 43.01 C ATOM 1753 O ARG A 196 -0.671 77.421 9.761 1.00 46.31 O ATOM 1754 CB ARG A 196 0.562 79.471 7.540 1.00 47.95 C ATOM 1755 CG ARG A 196 0.707 80.086 6.142 1.00 48.33 C ATOM 1756 CD ARG A 196 1.715 79.320 5.271 1.00 51.81 C ATOM 1757 NE ARG A 196 1.869 79.917 3.942 1.00 49.81 N ATOM 1758 CZ ARG A 196 1.153 79.570 2.874 1.00 51.44 C ATOM 1759 NH1 ARG A 196 0.231 78.623 2.976 1.00 49.21 N ATOM 1760 NH2 ARG A 196 1.357 80.167 1.703 1.00 53.71 N ATOM 1761 HE ARG A 196 2.585 80.662 3.825 1.00 0.00 H ATOM 1762 HH12 ARG A 196 -0.329 78.351 2.143 1.00 0.00 H ATOM 1763 HH11 ARG A 196 0.068 78.152 3.889 1.00 0.00 H ATOM 1764 HH22 ARG A 196 0.794 79.891 0.873 1.00 0.00 H ATOM 1765 HH21 ARG A 196 2.080 80.910 1.617 1.00 0.00 H ATOM 1766 H ARG A 196 -2.074 78.471 7.761 1.00 0.00 H ATOM 1767 N ALA A 197 1.404 76.815 9.121 1.00 45.81 N ATOM 1768 CA ALA A 197 1.709 76.134 10.375 1.00 45.00 C ATOM 1769 C ALA A 197 1.982 77.138 11.491 1.00 46.23 C ATOM 1770 O ALA A 197 1.488 76.979 12.610 1.00 50.20 O ATOM 1771 CB ALA A 197 2.895 75.197 10.193 1.00 47.19 C ATOM 1772 H ALA A 197 2.125 76.848 8.372 1.00 0.00 H TER 1773 ALA A 197 HETATM 1774 MN MN A 1 -11.491 76.179 17.089 1.00 13.17 MN HETATM 1775 MG MG A 2 -12.270 79.214 19.043 1.00 11.01 MG HETATM 1776 O HOH 3 -22.344 69.391 33.509 1.00 51.33 O HETATM 1777 O HOH 4 -1.985 75.749 13.398 1.00 43.97 O HETATM 1778 O HOH 5 -24.750 78.293 23.976 1.00 30.61 O HETATM 1779 O HOH 6 -7.867 78.551 -6.804 1.00 37.08 O HETATM 1780 O HOH 7 -8.524 69.487 4.417 1.00 40.43 O HETATM 1781 O HOH 8 -24.370 85.698 3.587 1.00 24.85 O HETATM 1782 O HOH 9 -11.119 78.204 20.475 1.00 12.91 O HETATM 1783 O HOH 10 -9.351 60.177 16.233 1.00 35.13 O HETATM 1784 O HOH 11 2.675 74.837 -3.560 1.00 38.85 O HETATM 1785 O HOH 12 -6.123 81.190 6.276 1.00 45.30 O HETATM 1786 O HOH 13 -14.678 64.579 20.393 1.00 26.07 O HETATM 1787 O HOH 14 3.396 81.946 4.509 1.00 56.92 O HETATM 1788 O HOH 15 -12.864 75.666 38.267 1.00 47.40 O HETATM 1789 O HOH 16 -21.420 87.527 19.213 1.00 36.33 O HETATM 1790 O HOH 17 -9.682 75.756 13.144 1.00 14.88 O HETATM 1791 O HOH 18 -14.392 80.941 13.208 1.00 21.61 O HETATM 1792 O HOH 19 -9.422 80.898 -3.150 1.00 28.02 O HETATM 1793 O HOH 20 -15.882 83.549 21.451 1.00 14.11 O HETATM 1794 O HOH 21 -13.052 90.455 -2.822 1.00 30.20 O HETATM 1795 O HOH 22 1.985 72.620 7.348 1.00 49.80 O HETATM 1796 O HOH 23 -21.438 88.114 22.291 1.00 15.98 O HETATM 1797 O HOH 24 -15.916 87.836 -4.891 1.00 48.49 O HETATM 1798 O HOH 25 -2.893 91.638 12.915 1.00 37.25 O HETATM 1799 O HOH 26 -13.962 88.446 17.141 1.00 32.97 O HETATM 1800 O HOH 27 -10.078 97.374 11.555 1.00 13.86 O HETATM 1801 O HOH 28 -24.780 92.512 9.104 1.00 29.16 O HETATM 1802 O HOH 29 -20.299 61.467 24.520 1.00 34.90 O HETATM 1803 O HOH 30 -17.003 66.236 24.384 1.00 31.71 O HETATM 1804 O HOH 31 0.911 72.497 -1.214 1.00 37.76 O HETATM 1805 O HOH 32 -15.107 66.358 5.132 1.00 28.14 O HETATM 1806 O HOH 33 -6.213 92.878 4.712 1.00 33.58 O HETATM 1807 O HOH 34 -9.506 75.526 7.513 1.00 25.19 O HETATM 1808 O HOH 35 -23.702 89.441 6.923 1.00 17.53 O HETATM 1809 O HOH 36 -10.458 60.124 10.012 1.00 38.85 O HETATM 1810 O HOH 37 -14.956 86.850 32.997 1.00 36.92 O HETATM 1811 O HOH 38 -6.241 83.967 27.155 1.00 34.67 O HETATM 1812 O HOH 39 -2.988 76.682 11.113 1.00 45.44 O HETATM 1813 O HOH 40 -3.037 93.255 10.176 1.00 43.90 O HETATM 1814 O HOH 41 -9.643 81.086 21.320 1.00 22.95 O HETATM 1815 O HOH 42 -18.872 85.965 -8.419 1.00 48.70 O HETATM 1816 O HOH 43 -24.619 68.261 5.736 1.00 37.26 O HETATM 1817 O HOH 44 -14.607 91.058 21.803 1.00 14.43 O HETATM 1818 O HOH 45 -16.233 87.884 15.718 1.00 23.04 O HETATM 1819 O HOH 46 -19.115 59.762 10.623 1.00 41.17 O HETATM 1820 O HOH 47 -7.229 76.376 9.867 1.00 30.29 O HETATM 1821 O HOH 48 -20.313 93.101 14.059 1.00 26.00 O HETATM 1822 O HOH 49 -8.594 82.956 23.809 1.00 27.97 O HETATM 1823 O HOH 50 -10.482 86.881 -3.811 1.00 31.89 O HETATM 1824 O HOH 51 -18.992 83.233 37.353 1.00 31.42 O HETATM 1825 O HOH 52 -10.850 72.231 31.317 1.00 54.68 O HETATM 1826 O HOH 53 -6.466 64.678 7.040 1.00 39.30 O HETATM 1827 O HOH 54 -8.239 87.949 21.540 1.00 45.87 O HETATM 1828 O HOH 55 -20.408 93.921 4.963 1.00 38.28 O HETATM 1829 O HOH 56 -22.685 90.139 3.027 1.00 32.27 O HETATM 1830 O HOH 57 -25.256 78.055 4.782 1.00 52.44 O HETATM 1831 O HOH 58 -11.462 76.685 8.886 1.00 21.22 O HETATM 1832 O HOH 59 -17.037 59.438 26.385 1.00 48.43 O HETATM 1833 O HOH 60 -13.251 80.250 20.704 1.00 10.36 O HETATM 1834 O HOH 61 -4.920 61.351 20.687 1.00 48.59 O HETATM 1835 O HOH 62 -26.678 64.006 23.276 1.00 39.51 O HETATM 1836 O HOH 63 -24.184 79.047 7.103 1.00 26.20 O HETATM 1837 O HOH 64 -5.574 93.414 17.465 1.00 22.97 O HETATM 1838 O HOH 65 -12.333 70.436 29.973 1.00 28.68 O HETATM 1839 O HOH 66 -36.201 72.366 27.720 1.00 61.21 O HETATM 1840 O HOH 67 -16.773 58.167 19.582 1.00 40.15 O HETATM 1841 O HOH 68 -18.792 84.412 35.010 1.00 19.60 O HETATM 1842 O HOH 69 -21.757 91.264 6.860 1.00 34.60 O HETATM 1843 O HOH 70 -26.859 71.756 22.459 1.00 28.71 O HETATM 1844 O HOH 71 -23.011 86.373 23.700 1.00 11.46 O HETATM 1845 O HOH 72 -24.320 72.189 2.109 1.00 33.89 O HETATM 1846 O HOH 73 -18.720 59.974 23.400 1.00 44.64 O HETATM 1847 O HOH 74 -9.576 95.892 7.924 1.00 34.47 O HETATM 1848 O HOH 75 -19.799 76.984 -10.459 1.00 51.97 O HETATM 1849 O HOH 76 -28.249 62.401 15.501 1.00 49.34 O HETATM 1850 O HOH 77 -12.569 56.581 23.686 1.00 48.95 O HETATM 1851 O HOH 78 -12.818 68.522 32.136 1.00 34.30 O HETATM 1852 O HOH 79 -13.508 82.871 20.459 1.00 18.36 O HETATM 1853 O HOH 80 -22.490 86.843 -3.343 1.00 50.13 O HETATM 1854 O HOH 81 -25.850 74.171 8.074 1.00 60.14 O HETATM 1855 O HOH 82 -7.025 59.524 18.493 1.00 58.03 O HETATM 1856 O HOH 83 -12.979 88.047 -3.868 1.00 30.27 O HETATM 1857 O HOH 84 -14.427 87.322 19.918 1.00 37.23 O HETATM 1858 O HOH 85 -22.743 62.857 1.534 1.00 52.13 O HETATM 1859 O HOH 86 -19.734 58.181 27.270 1.00 52.96 O HETATM 1860 O HOH 87 -26.393 75.632 12.803 1.00 51.21 O HETATM 1861 O HOH 88 -3.131 71.311 1.568 1.00 40.57 O HETATM 1862 O HOH 89 -5.360 95.291 5.649 1.00 44.63 O HETATM 1863 O HOH 90 -9.606 74.960 -7.762 1.00 28.00 O HETATM 1864 O HOH 91 -6.354 85.125 2.727 1.00 23.15 O HETATM 1865 O HOH 92 -11.907 60.427 25.926 1.00 43.68 O HETATM 1866 O HOH 93 -4.058 82.999 0.798 1.00 48.21 O HETATM 1867 O HOH 94 -12.703 59.676 9.255 1.00 48.29 O HETATM 1868 O HOH 95 -8.623 68.369 2.530 1.00 50.70 O HETATM 1869 O HOH 96 -24.692 63.589 5.767 1.00 48.74 O HETATM 1870 O HOH 97 -23.256 91.260 24.092 1.00 39.02 O HETATM 1871 O HOH 98 -14.484 83.257 14.862 1.00 33.09 O HETATM 1872 O HOH 99 -10.840 84.820 -5.250 1.00 34.22 O HETATM 1873 O HOH 100 -18.975 63.918 34.374 1.00 51.69 O HETATM 1874 O HOH 101 -17.034 56.002 16.274 1.00 57.75 O HETATM 1875 O HOH 102 -9.955 77.200 10.933 1.00 32.18 O HETATM 1876 O HOH 103 -29.684 69.208 12.429 1.00 56.30 O HETATM 1877 O HOH 104 -21.041 76.418 42.945 1.00 51.35 O HETATM 1878 O HOH 105 -30.635 81.257 6.645 1.00 59.45 O HETATM 1879 O HOH 106 -4.684 83.237 4.241 1.00 50.98 O HETATM 1880 O HOH 107 -7.259 68.713 -0.857 1.00 40.79 O HETATM 1881 O HOH 108 -18.443 94.966 13.196 1.00 45.44 O HETATM 1882 O HOH 109 -16.047 84.894 15.911 1.00 33.36 O HETATM 1883 O HOH 110 -17.490 88.478 18.273 1.00 35.25 O HETATM 1884 O HOH 111 -8.796 89.162 -3.558 1.00 55.06 O HETATM 1885 O HOH 112 -24.326 69.455 3.324 1.00 41.91 O HETATM 1886 O HOH 113 -18.573 95.068 2.280 1.00 42.78 O HETATM 1887 O HOH 114 -7.602 84.795 25.684 1.00 38.60 O HETATM 1888 O HOH 115 -10.900 64.752 27.358 1.00 41.79 O HETATM 1889 O HOH 116 -10.647 61.780 27.363 1.00 51.26 O HETATM 1890 O HOH 117 -9.940 85.643 22.525 1.00 26.91 O HETATM 1891 O HOH 118 -27.386 77.978 15.637 1.00 61.74 O HETATM 1892 O HOH 119 -24.118 88.301 4.252 1.00 22.07 O HETATM 1893 O HOH 120 -12.998 86.020 18.086 1.00 44.23 O HETATM 1894 O HOH 121 -19.164 87.304 35.522 1.00 30.53 O HETATM 1895 O HOH 122 -7.093 59.704 8.619 1.00 49.56 O HETATM 1896 O HOH 123 -26.016 65.983 4.949 1.00 42.28 O HETATM 1897 O HOH 124 -12.348 85.409 20.783 1.00 22.22 O HETATM 1898 O HOH 125 -27.262 85.369 -1.802 1.00 58.95 O HETATM 1899 O HOH 126 -7.536 98.585 0.064 1.00 53.53 O HETATM 1900 O HOH 127 -24.252 90.372 0.520 1.00 61.05 O HETATM 1901 O HOH 128 -18.473 54.365 20.141 1.00 56.79 O HETATM 1902 C1 GY A 7 -10.301 82.028 13.862 1.00 0.15 C HETATM 1903 C2 GY A 7 -9.117 81.561 13.311 1.00 0.12 C HETATM 1904 C21 GY A 7 -9.211 80.434 12.509 1.00 0.15 C HETATM 1905 C22 GY A 7 -10.399 79.781 12.282 1.00 -0.03 C HETATM 1906 C23 GY A 7 -11.540 80.276 12.870 1.00 -0.06 C HETATM 1907 C24 GY A 7 -11.509 81.402 13.666 1.00 -0.03 C HETATM 1908 H14 GY A 7 -12.414 81.783 14.125 1.00 0.06 H HETATM 1909 H13 GY A 7 -12.484 79.770 12.704 1.00 0.06 H HETATM 1910 H12 GY A 7 -10.436 78.897 11.655 1.00 0.06 H HETATM 1911 F2 GY A 7 -8.091 79.934 11.940 1.00 -0.18 F HETATM 1912 C3 GY A 7 -7.802 82.244 13.549 1.00 0.21 C HETATM 1913 N1 GY A 7 -6.919 81.646 14.366 1.00 -0.25 N HETATM 1914 C20 GY A 7 -5.893 82.396 15.113 1.00 0.04 C HETATM 1915 C19 GY A 7 -5.420 81.390 16.138 1.00 -0.03 C HETATM 1916 C18 GY A 7 -5.465 80.095 15.344 1.00 -0.01 C HETATM 1917 C4 GY A 7 -6.838 80.197 14.664 1.00 0.13 C HETATM 1918 C5 GY A 7 -7.997 79.684 15.490 1.00 0.16 C HETATM 1919 N2 GY A 7 -8.554 80.518 16.368 1.00 -0.30 N HETATM 1920 C6 GY A 7 -9.586 80.091 17.116 1.00 0.11 C HETATM 1921 C16 GY A 7 -10.094 78.830 16.982 1.00 0.18 C HETATM 1922 C17 GY A 7 -9.523 77.946 16.066 1.00 0.26 C HETATM 1923 N4 GY A 7 -8.465 78.421 15.322 1.00 -0.19 N HETATM 1924 H21 GY A 7 -8.034 77.824 14.646 1.00 0.25 H HETATM 1925 O4 GY A 7 -9.918 76.779 15.898 1.00 -0.40 O HETATM 1926 O3 GY A 7 -11.133 78.339 17.675 1.00 -0.33 O HETATM 1927 H22 GY A 7 -10.931 78.360 18.603 1.00 0.25 H HETATM 1928 C7 GY A 7 -10.138 81.100 18.088 1.00 0.20 C HETATM 1929 N3 GY A 7 -9.587 82.313 17.981 1.00 -0.29 N HETATM 1930 C8 GY A 7 -10.139 83.492 18.641 1.00 0.04 C HETATM 1931 C9 GY A 7 -9.130 84.178 19.533 1.00 0.00 C HETATM 1932 C10 GY A 7 -7.801 84.423 18.854 1.00 -0.04 C HETATM 1933 C11 GY A 7 -6.709 83.607 19.116 1.00 -0.06 C HETATM 1934 C12 GY A 7 -5.489 83.832 18.499 1.00 -0.07 C HETATM 1935 C13 GY A 7 -5.346 84.873 17.611 1.00 -0.07 C HETATM 1936 C14 GY A 7 -6.417 85.691 17.340 1.00 -0.07 C HETATM 1937 C15 GY A 7 -7.639 85.468 17.957 1.00 -0.06 C HETATM 1938 H5 GY A 7 -8.477 86.118 17.735 1.00 0.06 H HETATM 1939 H4 GY A 7 -6.306 86.513 16.642 1.00 0.06 H HETATM 1940 H3 GY A 7 -4.392 85.048 17.127 1.00 0.06 H HETATM 1941 H2 GY A 7 -4.646 83.187 18.716 1.00 0.06 H HETATM 1942 H1 GY A 7 -6.812 82.783 19.812 1.00 0.06 H HETATM 1943 H18 GY A 7 -9.545 85.147 19.849 1.00 0.04 H HETATM 1944 H19 GY A 7 -8.959 83.546 20.417 1.00 0.04 H HETATM 1945 H16 GY A 7 -10.472 84.204 17.872 1.00 0.05 H HETATM 1946 H17 GY A 7 -11.000 83.184 19.253 1.00 0.05 H HETATM 1947 H20 GY A 7 -8.762 82.417 17.425 1.00 0.18 H HETATM 1948 O2 GY A 7 -11.018 80.802 18.902 1.00 -0.39 O HETATM 1949 H15 GY A 7 -6.827 79.623 13.725 1.00 0.08 H HETATM 1950 H6 GY A 7 -5.409 79.217 16.004 1.00 0.03 H HETATM 1951 H7 GY A 7 -4.653 80.050 14.604 1.00 0.03 H HETATM 1952 H8 GY A 7 -4.399 81.616 16.479 1.00 0.03 H HETATM 1953 H9 GY A 7 -6.096 81.353 17.005 1.00 0.03 H HETATM 1954 H10 GY A 7 -5.069 82.705 14.453 1.00 0.05 H HETATM 1955 H11 GY A 7 -6.326 83.283 15.599 1.00 0.05 H HETATM 1956 O1 GY A 7 -7.581 83.352 13.071 1.00 -0.39 O HETATM 1957 F1 GY A 7 -10.283 83.132 14.642 1.00 -0.18 F CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 397 395 396 1774 CONECT 591 590 1775 CONECT 850 849 1775 CONECT 851 849 1774 CONECT 979 977 1774 CONECT 984 983 1774 CONECT 1774 397 851 979 984 CONECT 1775 591 850 CONECT 1902 1903 1907 1957 CONECT 1903 1902 1904 1912 CONECT 1904 1903 1905 1911 CONECT 1905 1904 1906 1910 CONECT 1906 1905 1907 1909 CONECT 1907 1902 1906 1908 CONECT 1908 1907 CONECT 1909 1906 CONECT 1910 1905 CONECT 1911 1904 CONECT 1912 1903 1913 1956 CONECT 1913 1912 1914 1917 CONECT 1914 1913 1915 1954 1955 CONECT 1915 1914 1916 1952 1953 CONECT 1916 1915 1917 1950 1951 CONECT 1917 1913 1916 1918 1949 CONECT 1918 1917 1919 1923 CONECT 1919 1918 1920 CONECT 1920 1919 1921 1928 CONECT 1921 1920 1922 1926 CONECT 1922 1921 1923 1925 CONECT 1923 1918 1922 1924 CONECT 1924 1923 CONECT 1925 1922 CONECT 1926 1921 1927 CONECT 1927 1926 CONECT 1928 1920 1929 1948 CONECT 1929 1928 1930 1947 CONECT 1930 1929 1931 1945 1946 CONECT 1931 1930 1932 1943 1944 CONECT 1932 1931 1933 1937 CONECT 1933 1932 1934 1942 CONECT 1934 1933 1935 1941 CONECT 1935 1934 1936 1940 CONECT 1936 1935 1937 1939 CONECT 1937 1932 1936 1938 CONECT 1938 1937 CONECT 1939 1936 CONECT 1940 1935 CONECT 1941 1934 CONECT 1942 1933 CONECT 1943 1931 CONECT 1944 1931 CONECT 1945 1930 CONECT 1946 1930 CONECT 1947 1929 CONECT 1948 1928 CONECT 1949 1917 CONECT 1950 1916 CONECT 1951 1916 CONECT 1952 1915 CONECT 1953 1915 CONECT 1954 1914 CONECT 1955 1914 CONECT 1956 1912 CONECT 1957 1902 MASTER 0 0 0 0 0 0 0 0 1956 1 68 14 END
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Related entries of code: 5we9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4avg
RCSB PDB
PDBbind
204aa, >4AVG_1|Chains... at 97%
4awf
RCSB PDB
PDBbind
204aa, >4AWF_1|Chains... at 97%
4awg
RCSB PDB
PDBbind
204aa, >4AWG_1|Chains... at 97%
4awm
RCSB PDB
PDBbind
192aa, >4AWM_1|Chain... at 96%
4e5f
RCSB PDB
PDBbind
187aa, >4E5F_1|Chains... at 91%
4e5g
RCSB PDB
PDBbind
187aa, >4E5G_1|Chains... at 91%
4e5h
RCSB PDB
PDBbind
187aa, >4E5H_1|Chains... at 91%
4e5i
RCSB PDB
PDBbind
187aa, >4E5I_1|Chains... at 91%
4e5j
RCSB PDB
PDBbind
187aa, >4E5J_1|Chains... at 91%
4kil
RCSB PDB
PDBbind
213aa, >4KIL_1|Chain... at 98%
4ln7
RCSB PDB
PDBbind
209aa, >4LN7_1|Chain... at 100%
4m4q
RCSB PDB
PDBbind
241aa, >4M4Q_1|Chain... *
4m5o
RCSB PDB
PDBbind
241aa, >4M5O_1|Chain... at 100%
4m5r
RCSB PDB
PDBbind
241aa, >4M5R_1|Chain... at 100%
4m5u
RCSB PDB
PDBbind
241aa, >4M5U_1|Chain... at 100%
4mk1
RCSB PDB
PDBbind
241aa, >4MK1_1|Chain... at 100%
4mk2
RCSB PDB
PDBbind
241aa, >4MK2_1|Chain... at 100%
4mk5
RCSB PDB
PDBbind
241aa, >4MK5_1|Chain... at 100%
4w9s
RCSB PDB
PDBbind
241aa, >4W9S_1|Chain... at 100%
5cgv
RCSB PDB
PDBbind
187aa, >5CGV_1|Chain... at 94%
5ega
RCSB PDB
PDBbind
187aa, >5EGA_1|Chain... at 94%
5w44
RCSB PDB
PDBbind
178aa, >5W44_1|Chain... at 98%
5w73
RCSB PDB
PDBbind
197aa, >5W73_1|Chain... at 93%
5w7u
RCSB PDB
PDBbind
197aa, >5W7U_1|Chain... at 93%
5w92
RCSB PDB
PDBbind
197aa, >5W92_1|Chain... at 93%
5w9g
RCSB PDB
PDBbind
197aa, >5W9G_1|Chain... at 93%
5wa7
RCSB PDB
PDBbind
197aa, >5WA7_1|Chain... at 93%
5wap
RCSB PDB
PDBbind
197aa, >5WAP_1|Chain... at 93%
5wb3
RCSB PDB
PDBbind
197aa, >5WB3_1|Chain... at 93%
5wdc
RCSB PDB
PDBbind
197aa, >5WDC_1|Chain... at 93%
5wdw
RCSB PDB
PDBbind
197aa, >5WDW_1|Chain... at 93%
5web
RCSB PDB
PDBbind
197aa, >5WEB_1|Chain... at 93%
5wef
RCSB PDB
PDBbind
187aa, >5WEF_1|Chain... at 93%
5wei
RCSB PDB
PDBbind
197aa, >5WEI_1|Chain... at 92%
5wf3
RCSB PDB
PDBbind
197aa, >5WF3_1|Chain... at 92%
5wfm
RCSB PDB
PDBbind
197aa, >5WFM_1|Chain... at 92%
5wfw
RCSB PDB
PDBbind
197aa, >5WFW_1|Chain... at 92%
5wfz
RCSB PDB
PDBbind
197aa, >5WFZ_1|Chain... at 92%
5wg9
RCSB PDB
PDBbind
197aa, >5WG9_1|Chain... at 92%
6dcy
RCSB PDB
PDBbind
192aa, >6DCY_1|Chain... at 96%
6dcz
RCSB PDB
PDBbind
192aa, >6DCZ_1|Chain... at 96%
6dzq
RCSB PDB
PDBbind
192aa, >6DZQ_1|Chain... at 96%
6e0q
RCSB PDB
PDBbind
192aa, >6E0Q_1|Chain... at 96%
6nem
RCSB PDB
PDBbind
241aa, >6NEM_1|Chain... at 100%
6nel
RCSB PDB
PDBbind
241aa, >6NEL_1|Chain... at 100%
6e6w
RCSB PDB
PDBbind
192aa, >6E6W_1|Chain... at 96%
6e6v
RCSB PDB
PDBbind
192aa, >6E6V_1|Chain... at 96%
6e4c
RCSB PDB
PDBbind
192aa, >6E4C_1|Chain... at 96%
6e3p
RCSB PDB
PDBbind
192aa, >6E3P_1|Chain... at 96%
6e3n
RCSB PDB
PDBbind
192aa, >6E3N_1|Chain... at 96%
6e3o
RCSB PDB
PDBbind
192aa, >6E3O_1|Chain... at 96%
6e3m
RCSB PDB
PDBbind
192aa, >6E3M_1|Chain... at 96%
5wa6
RCSB PDB
PDBbind
197aa, >5WA6_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5we9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Polymerase acidic protein
Ligand Name
GY7
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=0.06uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 17139-17139
Ligand Properties
Formula
C
2
4
H
2
2
F
2
N
4
O
4
Molecular Weight
468.453
Exact Mass
468.161
No. of atoms
56
No. of bonds
59
Polar Surface Area
115.39
LOGP Value
3.03 (
Computed with XLOGP3
)
3.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
O=C(c1nc([nH]c(=O)c1O)[C@@H]1CCCN1C(=O)c1c(F)cccc1F)NCCc1ccccc1
InChI String
InChI=1S/C24H22F2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
C3W5S0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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