Browse entries in the PDBbind-CN Database
HEADER 4Y0A_COMPLEX COMPND 4Y0A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 179 PRO SER LYS ALA PHE GLU THR LEU PRO ASN ILE TYR LEU SEQRES 2 A 179 VAL GLY PRO MET GLY ALA GLY LYS THR THR VAL GLY ARG SEQRES 3 A 179 HIS LEU ALA GLU LEU LEU GLY ARG GLU PHE LEU ASP SER SEQRES 4 A 179 ASP HIS GLU ILE GLU ARG LYS THR GLY ALA THR ILE PRO SEQRES 5 A 179 TRP ILE PHE GLU LYS GLU GLY GLU VAL GLY PHE ARG THR SEQRES 6 A 179 ARG GLU THR VAL VAL LEU ASN GLU LEU THR SER ARG LYS SEQRES 7 A 179 ALA LEU VAL LEU ALA THR GLY GLY GLY ALA ILE THR GLN SEQRES 8 A 179 ALA PRO ASN ARG GLU PHE LEU LYS GLN ARG GLY ILE VAL SEQRES 9 A 179 VAL TYR LEU TYR THR PRO VAL GLU LEU GLN LEU GLN ARG SEQRES 10 A 179 THR TYR ARG ASP LYS ASN ARG PRO LEU LEU GLN VAL GLU SEQRES 11 A 179 ASN PRO GLU GLN LYS LEU ARG ASP LEU LEU LYS ILE ARG SEQRES 12 A 179 ASP PRO LEU TYR ARG GLU VAL ALA HIS TYR THR ILE GLU SEQRES 13 A 179 THR ASN GLN GLY ALA ALA ARG ASP LEU ALA GLN LYS ILE SEQRES 14 A 179 LEU GLN LEU ILE LEU SER ASN LYS LEU LYS HET SKM A 340 23 ATOM 1 N PRO A 11 -26.163 16.872 7.352 1.00 92.85 N ATOM 2 CA PRO A 11 -25.685 17.398 6.063 1.00 92.56 C ATOM 3 C PRO A 11 -24.893 16.337 5.286 1.00 97.50 C ATOM 4 O PRO A 11 -25.333 15.912 4.215 1.00100.91 O ATOM 5 CB PRO A 11 -24.796 18.596 6.470 1.00 90.06 C ATOM 6 CG PRO A 11 -25.087 18.862 7.932 1.00 89.31 C ATOM 7 CD PRO A 11 -25.530 17.548 8.503 1.00 92.21 C ATOM 8 HN2 PRO A 11 -25.946 15.856 7.400 1.00 0.00 H ATOM 9 HN1 PRO A 11 -27.192 17.009 7.408 1.00 0.00 H ATOM 10 N SER A 12 -23.733 15.949 5.824 1.00 89.04 N ATOM 11 CA SER A 12 -23.050 14.727 5.435 1.00 76.42 C ATOM 12 C SER A 12 -23.450 13.609 6.404 1.00 80.83 C ATOM 13 O SER A 12 -22.620 12.772 6.766 1.00 58.06 O ATOM 14 CB SER A 12 -21.530 14.878 5.459 1.00 69.69 C ATOM 15 OG SER A 12 -21.048 15.994 4.722 1.00 78.46 O ATOM 16 HG SER A 12 -20.060 16.027 4.783 1.00 0.00 H ATOM 17 H SER A 12 -23.299 16.549 6.554 1.00 0.00 H ATOM 18 N LYS A 13 -24.719 13.623 6.828 1.00 74.67 N ATOM 19 CA LYS A 13 -25.347 12.503 7.527 1.00 69.14 C ATOM 20 C LYS A 13 -25.403 11.289 6.568 1.00 56.91 C ATOM 21 O LYS A 13 -25.683 10.154 6.965 1.00 53.07 O ATOM 22 CB LYS A 13 -26.757 12.897 8.008 1.00 83.45 C ATOM 23 CG LYS A 13 -27.432 11.867 8.902 1.00 81.84 C ATOM 24 CD LYS A 13 -28.656 12.425 9.614 1.00 73.78 C ATOM 25 CE LYS A 13 -29.404 11.302 10.376 1.00 75.77 C ATOM 26 NZ LYS A 13 -30.624 11.779 11.111 1.00 86.52 N ATOM 27 HZ1 LYS A 13 -30.347 12.497 11.811 1.00 0.00 H ATOM 28 HZ2 LYS A 13 -31.295 12.194 10.434 1.00 0.00 H ATOM 29 HZ3 LYS A 13 -31.071 10.975 11.596 1.00 0.00 H ATOM 30 H LYS A 13 -25.288 14.475 6.651 1.00 0.00 H ATOM 31 N ALA A 14 -25.148 11.593 5.299 1.00 48.79 N ATOM 32 CA ALA A 14 -24.807 10.656 4.251 1.00 45.21 C ATOM 33 C ALA A 14 -23.746 9.612 4.645 1.00 41.29 C ATOM 34 O ALA A 14 -23.805 8.467 4.204 1.00 43.27 O ATOM 35 CB ALA A 14 -24.322 11.420 3.059 1.00 48.80 C ATOM 36 H ALA A 14 -25.198 12.598 5.035 1.00 0.00 H ATOM 37 N PHE A 15 -22.758 10.004 5.443 1.00 38.33 N ATOM 38 CA PHE A 15 -21.658 9.101 5.768 1.00 41.99 C ATOM 39 C PHE A 15 -21.783 8.566 7.161 1.00 38.29 C ATOM 40 O PHE A 15 -20.802 8.060 7.698 1.00 38.96 O ATOM 41 CB PHE A 15 -20.298 9.802 5.619 1.00 37.33 C ATOM 42 CG PHE A 15 -20.035 10.317 4.243 1.00 47.91 C ATOM 43 CD1 PHE A 15 -19.928 9.432 3.167 1.00 52.82 C ATOM 44 CD2 PHE A 15 -19.879 11.675 4.013 1.00 59.95 C ATOM 45 CE1 PHE A 15 -19.694 9.892 1.892 1.00 78.51 C ATOM 46 CE2 PHE A 15 -19.620 12.141 2.744 1.00 47.20 C ATOM 47 CZ PHE A 15 -19.546 11.241 1.674 1.00 63.47 C ATOM 48 H PHE A 15 -22.769 10.965 5.840 1.00 0.00 H ATOM 49 N GLU A 16 -22.965 8.676 7.763 1.00 42.61 N ATOM 50 CA GLU A 16 -23.069 8.339 9.191 1.00 46.14 C ATOM 51 C GLU A 16 -22.746 6.844 9.416 1.00 44.16 C ATOM 52 O GLU A 16 -22.239 6.502 10.465 1.00 46.32 O ATOM 53 CB GLU A 16 -24.455 8.683 9.766 1.00 53.69 C ATOM 54 CG GLU A 16 -25.555 7.707 9.405 1.00 76.16 C ATOM 55 CD GLU A 16 -26.916 8.134 9.929 1.00 86.62 C ATOM 56 OE1 GLU A 16 -27.887 7.357 9.757 1.00 84.47 O ATOM 57 OE2 GLU A 16 -27.003 9.240 10.507 1.00 87.65 O ATOM 58 H GLU A 16 -23.801 8.995 7.233 1.00 0.00 H ATOM 59 N THR A 17 -23.015 5.956 8.451 1.00 46.14 N ATOM 60 CA THR A 17 -22.685 4.532 8.648 1.00 43.65 C ATOM 61 C THR A 17 -21.269 4.160 8.186 1.00 40.00 C ATOM 62 O THR A 17 -20.874 3.019 8.227 1.00 39.63 O ATOM 63 CB THR A 17 -23.647 3.621 7.911 1.00 38.35 C ATOM 64 OG1 THR A 17 -23.454 3.822 6.510 1.00 41.28 O ATOM 65 CG2 THR A 17 -25.092 3.964 8.256 1.00 42.35 C ATOM 66 HG1 THR A 17 -23.637 4.769 6.285 1.00 0.00 H ATOM 67 H THR A 17 -23.456 6.270 7.563 1.00 0.00 H ATOM 68 N LEU A 18 -20.507 5.097 7.673 1.00 33.57 N ATOM 69 CA LEU A 18 -19.119 4.784 7.372 1.00 31.98 C ATOM 70 C LEU A 18 -18.382 4.567 8.713 1.00 34.51 C ATOM 71 O LEU A 18 -18.588 5.353 9.632 1.00 33.34 O ATOM 72 CB LEU A 18 -18.484 5.936 6.591 1.00 36.41 C ATOM 73 CG LEU A 18 -17.073 5.680 6.079 1.00 40.33 C ATOM 74 CD1 LEU A 18 -17.032 4.683 4.930 1.00 37.44 C ATOM 75 CD2 LEU A 18 -16.518 6.965 5.642 1.00 40.48 C ATOM 76 H LEU A 18 -20.889 6.046 7.485 1.00 0.00 H ATOM 77 N PRO A 19 -17.553 3.504 8.832 1.00 32.63 N ATOM 78 CA PRO A 19 -16.756 3.276 10.041 1.00 31.86 C ATOM 79 C PRO A 19 -15.809 4.449 10.408 1.00 31.26 C ATOM 80 O PRO A 19 -15.523 5.327 9.567 1.00 31.14 O ATOM 81 CB PRO A 19 -15.891 2.041 9.675 1.00 37.51 C ATOM 82 CG PRO A 19 -16.677 1.294 8.628 1.00 46.32 C ATOM 83 CD PRO A 19 -17.312 2.442 7.817 1.00 34.81 C ATOM 84 N ASN A 20 -15.267 4.382 11.617 1.00 32.00 N ATOM 85 CA ASN A 20 -14.204 5.306 11.997 1.00 34.84 C ATOM 86 C ASN A 20 -13.083 5.184 11.000 1.00 32.86 C ATOM 87 O ASN A 20 -12.833 4.102 10.465 1.00 31.71 O ATOM 88 CB ASN A 20 -13.681 4.989 13.385 1.00 29.49 C ATOM 89 CG ASN A 20 -14.661 5.315 14.489 1.00 38.39 C ATOM 90 OD1 ASN A 20 -15.687 5.996 14.322 1.00 33.28 O ATOM 91 ND2 ASN A 20 -14.331 4.834 15.649 1.00 36.83 N ATOM 92 HD22 ASN A 20 -13.464 4.268 15.750 1.00 0.00 H ATOM 93 HD21 ASN A 20 -14.933 5.015 16.477 1.00 0.00 H ATOM 94 H ASN A 20 -15.601 3.669 12.296 1.00 0.00 H ATOM 95 N ILE A 21 -12.385 6.272 10.734 1.00 26.77 N ATOM 96 CA ILE A 21 -11.143 6.219 9.968 1.00 27.22 C ATOM 97 C ILE A 21 -9.947 6.588 10.892 1.00 33.25 C ATOM 98 O ILE A 21 -9.987 7.603 11.655 1.00 28.78 O ATOM 99 CB ILE A 21 -11.229 7.169 8.742 1.00 26.02 C ATOM 100 CG1 ILE A 21 -12.438 6.819 7.823 1.00 29.01 C ATOM 101 CG2 ILE A 21 -9.893 7.188 7.942 1.00 27.61 C ATOM 102 CD1 ILE A 21 -12.738 7.972 6.807 1.00 37.92 C ATOM 103 H ILE A 21 -12.728 7.191 11.079 1.00 0.00 H ATOM 104 N TYR A 22 -8.892 5.767 10.824 1.00 26.57 N ATOM 105 CA TYR A 22 -7.702 5.893 11.667 1.00 24.79 C ATOM 106 C TYR A 22 -6.486 6.120 10.792 1.00 28.54 C ATOM 107 O TYR A 22 -6.192 5.294 9.929 1.00 30.29 O ATOM 108 CB TYR A 22 -7.489 4.617 12.542 1.00 30.40 C ATOM 109 CG TYR A 22 -8.691 4.235 13.373 1.00 28.19 C ATOM 110 CD1 TYR A 22 -9.431 5.185 14.046 1.00 28.70 C ATOM 111 CD2 TYR A 22 -9.111 2.887 13.478 1.00 27.01 C ATOM 112 CE1 TYR A 22 -10.526 4.819 14.799 1.00 32.64 C ATOM 113 CE2 TYR A 22 -10.200 2.552 14.208 1.00 30.84 C ATOM 114 CZ TYR A 22 -10.900 3.489 14.875 1.00 29.96 C ATOM 115 OH TYR A 22 -11.972 3.128 15.672 1.00 30.28 O ATOM 116 HH TYR A 22 -12.655 2.673 15.118 1.00 0.00 H ATOM 117 H TYR A 22 -8.919 4.993 10.130 1.00 0.00 H ATOM 118 N LEU A 23 -5.816 7.265 10.956 1.00 24.79 N ATOM 119 CA LEU A 23 -4.596 7.544 10.222 1.00 24.34 C ATOM 120 C LEU A 23 -3.389 7.115 11.029 1.00 27.15 C ATOM 121 O LEU A 23 -3.249 7.518 12.209 1.00 25.84 O ATOM 122 CB LEU A 23 -4.476 9.025 9.895 1.00 26.55 C ATOM 123 CG LEU A 23 -5.735 9.615 9.249 1.00 27.15 C ATOM 124 CD1 LEU A 23 -5.496 11.010 8.812 1.00 29.81 C ATOM 125 CD2 LEU A 23 -6.076 8.789 8.019 1.00 30.63 C ATOM 126 H LEU A 23 -6.178 7.973 11.626 1.00 0.00 H ATOM 127 N VAL A 24 -2.537 6.308 10.378 1.00 26.09 N ATOM 128 CA VAL A 24 -1.271 5.856 10.959 1.00 24.29 C ATOM 129 C VAL A 24 -0.112 6.273 10.080 1.00 24.58 C ATOM 130 O VAL A 24 -0.293 6.578 8.898 1.00 26.06 O ATOM 131 CB VAL A 24 -1.270 4.280 11.168 1.00 24.80 C ATOM 132 CG1 VAL A 24 -2.457 3.850 12.030 1.00 28.95 C ATOM 133 CG2 VAL A 24 -1.262 3.506 9.844 1.00 25.37 C ATOM 134 H VAL A 24 -2.787 5.990 9.420 1.00 0.00 H ATOM 135 N GLY A 25 1.071 6.366 10.691 1.00 24.64 N ATOM 136 CA GLY A 25 2.305 6.673 10.016 1.00 25.59 C ATOM 137 C GLY A 25 3.225 7.440 10.906 1.00 25.02 C ATOM 138 O GLY A 25 2.889 7.760 12.066 1.00 28.73 O ATOM 139 H GLY A 25 1.103 6.207 11.718 1.00 0.00 H ATOM 140 N PRO A 26 4.389 7.802 10.386 1.00 25.59 N ATOM 141 CA PRO A 26 5.438 8.378 11.225 1.00 26.96 C ATOM 142 C PRO A 26 5.152 9.833 11.630 1.00 25.18 C ATOM 143 O PRO A 26 4.208 10.424 11.138 1.00 24.79 O ATOM 144 CB PRO A 26 6.684 8.318 10.336 1.00 26.76 C ATOM 145 CG PRO A 26 6.055 8.491 8.929 1.00 26.92 C ATOM 146 CD PRO A 26 4.821 7.627 8.988 1.00 26.40 C ATOM 147 N MET A 27 5.903 10.293 12.618 1.00 26.16 N ATOM 148 CA MET A 27 6.008 11.715 12.936 1.00 25.59 C ATOM 149 C MET A 27 6.253 12.413 11.578 1.00 28.19 C ATOM 150 O MET A 27 7.101 11.958 10.809 1.00 26.24 O ATOM 151 CB MET A 27 7.154 11.969 13.880 1.00 25.59 C ATOM 152 CG MET A 27 6.944 11.498 15.361 1.00 28.68 C ATOM 153 SD MET A 27 8.449 11.631 16.324 1.00 29.59 S ATOM 154 CE MET A 27 9.351 10.111 15.901 1.00 31.93 C ATOM 155 H MET A 27 6.441 9.613 13.192 1.00 0.00 H ATOM 156 N GLY A 28 5.527 13.494 11.301 1.00 25.26 N ATOM 157 CA GLY A 28 5.737 14.259 10.077 1.00 26.00 C ATOM 158 C GLY A 28 5.008 13.698 8.880 1.00 25.91 C ATOM 159 O GLY A 28 5.345 14.056 7.769 1.00 28.25 O ATOM 160 H GLY A 28 4.794 13.800 11.972 1.00 0.00 H ATOM 161 N ALA A 29 3.999 12.864 9.102 1.00 25.30 N ATOM 162 CA ALA A 29 3.203 12.335 7.997 1.00 26.06 C ATOM 163 C ALA A 29 2.003 13.228 7.684 1.00 26.59 C ATOM 164 O ALA A 29 1.288 12.968 6.738 1.00 26.68 O ATOM 165 CB ALA A 29 2.717 10.971 8.304 1.00 30.22 C ATOM 166 H ALA A 29 3.772 12.583 10.077 1.00 0.00 H ATOM 167 N GLY A 30 1.731 14.226 8.520 1.00 27.55 N ATOM 168 CA GLY A 30 0.564 15.057 8.206 1.00 28.34 C ATOM 169 C GLY A 30 -0.713 14.437 8.739 1.00 29.39 C ATOM 170 O GLY A 30 -1.817 14.730 8.261 1.00 28.03 O ATOM 171 H GLY A 30 2.319 14.409 9.358 1.00 0.00 H ATOM 172 N LYS A 31 -0.594 13.536 9.730 1.00 25.64 N ATOM 173 CA LYS A 31 -1.788 12.862 10.243 1.00 28.06 C ATOM 174 C LYS A 31 -2.836 13.817 10.793 1.00 26.92 C ATOM 175 O LYS A 31 -4.061 13.615 10.563 1.00 25.83 O ATOM 176 CB LYS A 31 -1.430 11.851 11.346 1.00 28.16 C ATOM 177 CG LYS A 31 -0.584 10.680 10.828 1.00 28.10 C ATOM 178 CD LYS A 31 -0.241 9.624 11.954 1.00 26.43 C ATOM 179 CE LYS A 31 0.691 10.177 13.059 1.00 32.75 C ATOM 180 NZ LYS A 31 2.006 10.530 12.629 1.00 34.60 N ATOM 181 HZ1 LYS A 31 2.478 9.690 12.237 1.00 0.00 H ATOM 182 HZ2 LYS A 31 1.944 11.267 11.898 1.00 0.00 H ATOM 183 HZ3 LYS A 31 2.550 10.888 13.440 1.00 0.00 H ATOM 184 H LYS A 31 0.341 13.319 10.130 1.00 0.00 H ATOM 185 N THR A 32 -2.404 14.860 11.513 1.00 25.92 N ATOM 186 CA THR A 32 -3.419 15.737 12.080 1.00 24.34 C ATOM 187 C THR A 32 -3.965 16.720 11.048 1.00 25.65 C ATOM 188 O THR A 32 -5.127 17.039 11.112 1.00 27.69 O ATOM 189 CB THR A 32 -2.927 16.509 13.337 1.00 27.43 C ATOM 190 OG1 THR A 32 -1.889 17.404 12.966 1.00 37.24 O ATOM 191 CG2 THR A 32 -2.447 15.509 14.372 1.00 28.33 C ATOM 192 HG1 THR A 32 -1.136 16.892 12.577 1.00 0.00 H ATOM 193 H THR A 32 -1.390 15.036 11.661 1.00 0.00 H ATOM 194 N THR A 33 -3.175 17.180 10.084 1.00 26.08 N ATOM 195 CA THR A 33 -3.709 18.130 9.112 1.00 28.31 C ATOM 196 C THR A 33 -4.636 17.424 8.118 1.00 26.85 C ATOM 197 O THR A 33 -5.739 17.924 7.801 1.00 26.37 O ATOM 198 CB THR A 33 -2.575 18.854 8.343 1.00 30.14 C ATOM 199 OG1 THR A 33 -1.600 17.893 7.911 1.00 30.02 O ATOM 200 CG2 THR A 33 -1.886 19.850 9.282 1.00 33.61 C ATOM 201 HG1 THR A 33 -0.876 18.357 7.420 1.00 0.00 H ATOM 202 H THR A 33 -2.185 16.866 10.022 1.00 0.00 H ATOM 203 N VAL A 34 -4.198 16.234 7.659 1.00 29.85 N ATOM 204 CA VAL A 34 -5.024 15.445 6.759 1.00 30.57 C ATOM 205 C VAL A 34 -6.311 14.969 7.490 1.00 26.28 C ATOM 206 O VAL A 34 -7.421 15.047 6.942 1.00 26.62 O ATOM 207 CB VAL A 34 -4.231 14.227 6.192 1.00 30.02 C ATOM 208 CG1 VAL A 34 -5.170 13.278 5.381 1.00 31.97 C ATOM 209 CG2 VAL A 34 -3.056 14.721 5.412 1.00 26.19 C ATOM 210 H VAL A 34 -3.265 15.879 7.950 1.00 0.00 H ATOM 211 N GLY A 35 -6.140 14.466 8.696 1.00 25.64 N ATOM 212 CA GLY A 35 -7.237 13.981 9.526 1.00 26.66 C ATOM 213 C GLY A 35 -8.294 15.033 9.708 1.00 25.68 C ATOM 214 O GLY A 35 -9.484 14.734 9.620 1.00 26.14 O ATOM 215 H GLY A 35 -5.173 14.412 9.075 1.00 0.00 H ATOM 216 N ARG A 36 -7.885 16.259 10.056 1.00 25.96 N ATOM 217 CA ARG A 36 -8.865 17.280 10.325 1.00 26.90 C ATOM 218 C ARG A 36 -9.655 17.648 9.046 1.00 27.58 C ATOM 219 O ARG A 36 -10.867 17.863 9.108 1.00 28.41 O ATOM 220 CB ARG A 36 -8.200 18.561 10.893 1.00 28.24 C ATOM 221 CG ARG A 36 -9.234 19.570 11.341 1.00 28.48 C ATOM 222 CD ARG A 36 -8.587 20.835 12.044 1.00 32.25 C ATOM 223 NE ARG A 36 -7.619 20.474 13.097 1.00 33.54 N ATOM 224 CZ ARG A 36 -7.905 20.093 14.335 1.00 30.60 C ATOM 225 NH1 ARG A 36 -9.167 20.012 14.812 1.00 32.01 N ATOM 226 NH2 ARG A 36 -6.899 19.796 15.143 1.00 39.10 N ATOM 227 HE ARG A 36 -6.612 20.523 12.843 1.00 0.00 H ATOM 228 HH12 ARG A 36 -9.334 19.707 15.792 1.00 0.00 H ATOM 229 HH11 ARG A 36 -9.971 20.255 14.199 1.00 0.00 H ATOM 230 HH22 ARG A 36 -7.088 19.494 16.120 1.00 0.00 H ATOM 231 HH21 ARG A 36 -5.919 19.865 14.801 1.00 0.00 H ATOM 232 H ARG A 36 -6.870 16.472 10.131 1.00 0.00 H ATOM 233 N HIS A 37 -8.973 17.761 7.889 1.00 27.47 N ATOM 234 CA HIS A 37 -9.690 17.957 6.605 1.00 28.26 C ATOM 235 C HIS A 37 -10.652 16.782 6.344 1.00 28.20 C ATOM 236 O HIS A 37 -11.764 16.975 5.884 1.00 29.07 O ATOM 237 CB HIS A 37 -8.698 18.108 5.419 1.00 28.30 C ATOM 238 CG HIS A 37 -8.116 19.506 5.271 1.00 28.97 C ATOM 239 ND1 HIS A 37 -8.887 20.614 4.950 1.00 31.67 N ATOM 240 CD2 HIS A 37 -6.858 19.977 5.475 1.00 28.74 C ATOM 241 CE1 HIS A 37 -8.111 21.684 4.887 1.00 30.67 C ATOM 242 NE2 HIS A 37 -6.875 21.334 5.243 1.00 29.79 N ATOM 243 H HIS A 37 -7.934 17.710 7.896 1.00 0.00 H ATOM 244 N LEU A 38 -10.196 15.561 6.604 1.00 27.32 N ATOM 245 CA LEU A 38 -11.025 14.387 6.270 1.00 27.38 C ATOM 246 C LEU A 38 -12.299 14.418 7.148 1.00 29.98 C ATOM 247 O LEU A 38 -13.430 14.165 6.649 1.00 29.05 O ATOM 248 CB LEU A 38 -10.230 13.084 6.464 1.00 27.71 C ATOM 249 CG LEU A 38 -10.905 11.784 6.076 1.00 32.98 C ATOM 250 CD1 LEU A 38 -11.293 11.721 4.596 1.00 31.17 C ATOM 251 CD2 LEU A 38 -9.894 10.669 6.402 1.00 35.20 C ATOM 252 H LEU A 38 -9.261 15.434 7.040 1.00 0.00 H ATOM 253 N ALA A 39 -12.140 14.783 8.419 1.00 27.78 N ATOM 254 CA ALA A 39 -13.273 14.947 9.326 1.00 28.62 C ATOM 255 C ALA A 39 -14.235 16.040 8.854 1.00 29.89 C ATOM 256 O ALA A 39 -15.445 15.832 8.851 1.00 30.82 O ATOM 257 CB ALA A 39 -12.808 15.253 10.766 1.00 28.49 C ATOM 258 H ALA A 39 -11.179 14.957 8.777 1.00 0.00 H ATOM 259 N GLU A 40 -13.687 17.146 8.358 1.00 30.06 N ATOM 260 CA GLU A 40 -14.514 18.258 7.919 1.00 31.44 C ATOM 261 C GLU A 40 -15.315 17.819 6.652 1.00 31.99 C ATOM 262 O GLU A 40 -16.486 18.164 6.474 1.00 33.31 O ATOM 263 CB GLU A 40 -13.627 19.492 7.629 1.00 31.58 C ATOM 264 CG GLU A 40 -14.370 20.772 7.368 1.00 33.20 C ATOM 265 CD GLU A 40 -14.846 20.929 5.882 1.00 34.00 C ATOM 266 OE1 GLU A 40 -14.348 20.217 4.984 1.00 33.27 O ATOM 267 OE2 GLU A 40 -15.693 21.797 5.640 1.00 35.56 O ATOM 268 H GLU A 40 -12.652 17.216 8.283 1.00 0.00 H ATOM 269 N LEU A 41 -14.652 17.066 5.791 1.00 31.16 N ATOM 270 CA LEU A 41 -15.285 16.570 4.543 1.00 32.94 C ATOM 271 C LEU A 41 -16.470 15.668 4.907 1.00 32.80 C ATOM 272 O LEU A 41 -17.527 15.695 4.259 1.00 33.28 O ATOM 273 CB LEU A 41 -14.259 15.823 3.673 1.00 30.91 C ATOM 274 CG LEU A 41 -13.247 16.648 2.861 1.00 33.68 C ATOM 275 CD1 LEU A 41 -12.137 15.725 2.344 1.00 39.34 C ATOM 276 CD2 LEU A 41 -13.909 17.384 1.707 1.00 37.91 C ATOM 277 H LEU A 41 -13.663 16.815 5.993 1.00 0.00 H ATOM 278 N LEU A 42 -16.280 14.861 5.947 1.00 32.81 N ATOM 279 CA LEU A 42 -17.251 13.867 6.383 1.00 34.60 C ATOM 280 C LEU A 42 -18.290 14.412 7.351 1.00 39.29 C ATOM 281 O LEU A 42 -19.280 13.736 7.661 1.00 38.83 O ATOM 282 CB LEU A 42 -16.539 12.712 7.028 1.00 32.91 C ATOM 283 CG LEU A 42 -15.713 11.892 6.048 1.00 35.90 C ATOM 284 CD1 LEU A 42 -14.866 10.897 6.785 1.00 35.48 C ATOM 285 CD2 LEU A 42 -16.632 11.178 5.039 1.00 46.93 C ATOM 286 H LEU A 42 -15.390 14.944 6.478 1.00 0.00 H ATOM 287 N GLY A 43 -18.060 15.639 7.802 1.00 34.52 N ATOM 288 CA GLY A 43 -18.891 16.290 8.794 1.00 37.01 C ATOM 289 C GLY A 43 -18.894 15.511 10.108 1.00 37.04 C ATOM 290 O GLY A 43 -19.953 15.380 10.761 1.00 37.42 O ATOM 291 H GLY A 43 -17.242 16.159 7.424 1.00 0.00 H ATOM 292 N ARG A 44 -17.738 14.993 10.511 1.00 32.87 N ATOM 293 CA ARG A 44 -17.695 14.263 11.774 1.00 32.81 C ATOM 294 C ARG A 44 -16.581 14.769 12.660 1.00 34.31 C ATOM 295 O ARG A 44 -15.910 15.823 12.372 1.00 31.88 O ATOM 296 CB ARG A 44 -17.538 12.747 11.494 1.00 31.95 C ATOM 297 CG ARG A 44 -16.253 12.387 10.849 1.00 34.93 C ATOM 298 CD ARG A 44 -16.044 10.830 10.745 1.00 29.75 C ATOM 299 NE ARG A 44 -17.179 10.113 10.140 1.00 30.56 N ATOM 300 CZ ARG A 44 -17.174 8.792 9.924 1.00 33.01 C ATOM 301 NH1 ARG A 44 -16.112 8.041 10.268 1.00 34.65 N ATOM 302 NH2 ARG A 44 -18.220 8.213 9.375 1.00 33.14 N ATOM 303 HE ARG A 44 -18.022 10.657 9.868 1.00 0.00 H ATOM 304 HH12 ARG A 44 -16.122 7.016 10.094 1.00 0.00 H ATOM 305 HH11 ARG A 44 -15.281 8.486 10.708 1.00 0.00 H ATOM 306 HH22 ARG A 44 -18.218 7.187 9.207 1.00 0.00 H ATOM 307 HH21 ARG A 44 -19.049 8.782 9.109 1.00 0.00 H ATOM 308 H ARG A 44 -16.879 15.106 9.936 1.00 0.00 H ATOM 309 N GLU A 45 -16.380 14.057 13.765 1.00 34.39 N ATOM 310 CA GLU A 45 -15.411 14.480 14.763 1.00 34.41 C ATOM 311 C GLU A 45 -13.990 14.197 14.296 1.00 30.75 C ATOM 312 O GLU A 45 -13.721 13.207 13.626 1.00 29.17 O ATOM 313 CB GLU A 45 -15.707 13.783 16.119 1.00 38.51 C ATOM 314 CG GLU A 45 -14.762 14.122 17.218 1.00 38.42 C ATOM 315 CD GLU A 45 -14.876 15.585 17.603 1.00 46.31 C ATOM 316 OE1 GLU A 45 -15.613 15.885 18.586 1.00 47.75 O ATOM 317 OE2 GLU A 45 -14.284 16.450 16.884 1.00 43.04 O ATOM 318 H GLU A 45 -16.924 13.184 13.918 1.00 0.00 H ATOM 319 N PHE A 46 -13.042 15.033 14.726 1.00 30.58 N ATOM 320 CA PHE A 46 -11.645 14.743 14.572 1.00 28.42 C ATOM 321 C PHE A 46 -10.963 14.767 15.966 1.00 27.61 C ATOM 322 O PHE A 46 -11.128 15.725 16.751 1.00 29.26 O ATOM 323 CB PHE A 46 -10.893 15.767 13.639 1.00 29.40 C ATOM 324 CG PHE A 46 -9.401 15.572 13.691 1.00 27.82 C ATOM 325 CD1 PHE A 46 -8.811 14.469 13.066 1.00 26.35 C ATOM 326 CD2 PHE A 46 -8.584 16.436 14.415 1.00 28.19 C ATOM 327 CE1 PHE A 46 -7.459 14.237 13.178 1.00 25.43 C ATOM 328 CE2 PHE A 46 -7.208 16.207 14.527 1.00 26.97 C ATOM 329 CZ PHE A 46 -6.635 15.081 13.934 1.00 25.60 C ATOM 330 H PHE A 46 -13.325 15.922 15.187 1.00 0.00 H ATOM 331 N LEU A 47 -10.134 13.779 16.215 1.00 26.09 N ATOM 332 CA LEU A 47 -9.341 13.702 17.415 1.00 29.69 C ATOM 333 C LEU A 47 -7.925 13.240 17.106 1.00 29.40 C ATOM 334 O LEU A 47 -7.690 12.516 16.148 1.00 24.08 O ATOM 335 CB LEU A 47 -9.993 12.756 18.423 1.00 26.97 C ATOM 336 CG LEU A 47 -11.326 13.245 18.995 1.00 32.75 C ATOM 337 CD1 LEU A 47 -11.888 12.169 19.996 1.00 43.95 C ATOM 338 CD2 LEU A 47 -11.226 14.599 19.719 1.00 36.60 C ATOM 339 H LEU A 47 -10.046 13.017 15.513 1.00 0.00 H ATOM 340 N ASP A 48 -6.963 13.776 17.863 1.00 27.87 N ATOM 341 CA ASP A 48 -5.555 13.425 17.737 1.00 27.56 C ATOM 342 C ASP A 48 -5.171 12.688 19.042 1.00 27.96 C ATOM 343 O ASP A 48 -5.325 13.264 20.130 1.00 25.67 O ATOM 344 CB ASP A 48 -4.703 14.667 17.518 1.00 25.78 C ATOM 345 CG ASP A 48 -3.226 14.465 17.825 1.00 30.71 C ATOM 346 OD1 ASP A 48 -2.719 13.318 17.911 1.00 39.81 O ATOM 347 OD2 ASP A 48 -2.547 15.480 17.930 1.00 39.04 O ATOM 348 H ASP A 48 -7.234 14.480 18.579 1.00 0.00 H ATOM 349 N SER A 49 -4.764 11.408 18.968 1.00 26.38 N ATOM 350 CA SER A 49 -4.597 10.673 20.223 1.00 26.71 C ATOM 351 C SER A 49 -3.433 11.283 21.002 1.00 25.26 C ATOM 352 O SER A 49 -3.456 11.218 22.234 1.00 25.46 O ATOM 353 CB SER A 49 -4.371 9.156 20.056 1.00 28.57 C ATOM 354 OG SER A 49 -3.297 8.923 19.220 1.00 29.56 O ATOM 355 HG SER A 49 -2.483 9.332 19.608 1.00 0.00 H ATOM 356 H SER A 49 -4.574 10.956 18.051 1.00 0.00 H ATOM 357 N ASP A 50 -2.420 11.859 20.336 1.00 22.75 N ATOM 358 CA ASP A 50 -1.345 12.505 21.104 1.00 26.64 C ATOM 359 C ASP A 50 -1.927 13.631 21.955 1.00 34.10 C ATOM 360 O ASP A 50 -1.641 13.788 23.166 1.00 29.01 O ATOM 361 CB ASP A 50 -0.241 13.065 20.169 1.00 29.53 C ATOM 362 CG ASP A 50 0.717 11.994 19.680 1.00 33.27 C ATOM 363 OD1 ASP A 50 0.633 10.814 20.153 1.00 28.21 O ATOM 364 OD2 ASP A 50 1.578 12.328 18.813 1.00 29.24 O ATOM 365 H ASP A 50 -2.396 11.849 19.296 1.00 0.00 H ATOM 366 N HIS A 51 -2.780 14.425 21.333 1.00 28.79 N ATOM 367 CA HIS A 51 -3.336 15.540 22.033 1.00 27.25 C ATOM 368 C HIS A 51 -4.312 15.089 23.123 1.00 26.95 C ATOM 369 O HIS A 51 -4.390 15.681 24.221 1.00 32.47 O ATOM 370 CB HIS A 51 -4.023 16.471 21.051 1.00 32.44 C ATOM 371 CG HIS A 51 -4.711 17.608 21.722 1.00 41.79 C ATOM 372 ND1 HIS A 51 -6.043 17.568 22.089 1.00 56.00 N ATOM 373 CD2 HIS A 51 -4.241 18.813 22.119 1.00 44.42 C ATOM 374 CE1 HIS A 51 -6.359 18.699 22.694 1.00 58.65 C ATOM 375 NE2 HIS A 51 -5.287 19.473 22.711 1.00 49.57 N ATOM 376 H HIS A 51 -3.044 14.241 20.344 1.00 0.00 H ATOM 377 N GLU A 52 -5.014 14.003 22.866 1.00 26.65 N ATOM 378 CA GLU A 52 -5.928 13.489 23.893 1.00 29.40 C ATOM 379 C GLU A 52 -5.184 12.965 25.134 1.00 28.69 C ATOM 380 O GLU A 52 -5.656 13.114 26.297 1.00 29.47 O ATOM 381 CB GLU A 52 -6.819 12.425 23.309 1.00 32.61 C ATOM 382 CG GLU A 52 -7.892 13.022 22.366 1.00 39.77 C ATOM 383 CD GLU A 52 -8.750 14.093 23.043 1.00 49.35 C ATOM 384 OE1 GLU A 52 -9.386 13.715 24.033 1.00 47.54 O ATOM 385 OE2 GLU A 52 -8.774 15.278 22.596 1.00 48.16 O ATOM 386 H GLU A 52 -4.922 13.518 21.950 1.00 0.00 H ATOM 387 N ILE A 53 -4.016 12.365 24.907 1.00 30.03 N ATOM 388 CA ILE A 53 -3.191 11.877 26.002 1.00 32.18 C ATOM 389 C ILE A 53 -2.737 13.092 26.846 1.00 34.53 C ATOM 390 O ILE A 53 -2.821 13.067 28.059 1.00 31.76 O ATOM 391 CB ILE A 53 -1.967 11.071 25.482 1.00 30.19 C ATOM 392 CG1 ILE A 53 -2.396 9.726 24.948 1.00 28.42 C ATOM 393 CG2 ILE A 53 -0.875 10.901 26.574 1.00 29.62 C ATOM 394 CD1 ILE A 53 -1.298 9.137 24.033 1.00 29.14 C ATOM 395 H ILE A 53 -3.687 12.243 23.928 1.00 0.00 H ATOM 396 N GLU A 54 -2.297 14.180 26.199 1.00 31.85 N ATOM 397 CA GLU A 54 -1.916 15.386 26.916 1.00 32.73 C ATOM 398 C GLU A 54 -3.088 15.955 27.702 1.00 34.74 C ATOM 399 O GLU A 54 -2.946 16.357 28.900 1.00 35.30 O ATOM 400 CB GLU A 54 -1.323 16.428 25.940 1.00 35.28 C ATOM 401 CG GLU A 54 0.043 15.922 25.313 1.00 47.10 C ATOM 402 CD GLU A 54 0.849 17.051 24.627 1.00 59.83 C ATOM 403 OE1 GLU A 54 2.106 16.957 24.466 1.00 45.12 O ATOM 404 OE2 GLU A 54 0.205 18.047 24.262 1.00 55.51 O ATOM 405 H GLU A 54 -2.227 14.161 25.162 1.00 0.00 H ATOM 406 N ARG A 55 -4.249 15.964 27.075 1.00 34.28 N ATOM 407 CA ARG A 55 -5.447 16.511 27.708 1.00 39.51 C ATOM 408 C ARG A 55 -5.811 15.697 28.950 1.00 40.81 C ATOM 409 O ARG A 55 -6.046 16.223 30.032 1.00 39.92 O ATOM 410 CB ARG A 55 -6.617 16.514 26.736 1.00 44.46 C ATOM 411 CG ARG A 55 -7.929 17.025 27.292 1.00 54.28 C ATOM 412 CD ARG A 55 -9.018 17.092 26.184 1.00 52.31 C ATOM 413 NE ARG A 55 -9.712 15.809 26.047 1.00 57.05 N ATOM 414 CZ ARG A 55 -10.601 15.340 26.925 1.00 86.28 C ATOM 415 NH1 ARG A 55 -10.916 16.044 28.018 1.00 90.60 N ATOM 416 NH2 ARG A 55 -11.174 14.159 26.721 1.00 98.46 N ATOM 417 HE ARG A 55 -9.498 15.227 25.212 1.00 0.00 H ATOM 418 HH12 ARG A 55 -11.610 15.669 28.696 1.00 0.00 H ATOM 419 HH11 ARG A 55 -10.467 16.966 28.190 1.00 0.00 H ATOM 420 HH22 ARG A 55 -11.867 13.792 27.404 1.00 0.00 H ATOM 421 HH21 ARG A 55 -10.930 13.601 25.878 1.00 0.00 H ATOM 422 H ARG A 55 -4.313 15.575 26.113 1.00 0.00 H ATOM 423 N LYS A 56 -5.909 14.407 28.769 1.00 36.87 N ATOM 424 CA LYS A 56 -6.286 13.517 29.857 1.00 41.95 C ATOM 425 C LYS A 56 -5.274 13.489 31.007 1.00 41.56 C ATOM 426 O LYS A 56 -5.672 13.406 32.171 1.00 42.86 O ATOM 427 CB LYS A 56 -6.538 12.124 29.270 1.00 43.80 C ATOM 428 CG LYS A 56 -7.970 12.040 28.702 1.00 58.48 C ATOM 429 CD LYS A 56 -8.123 11.150 27.478 1.00 89.60 C ATOM 430 CE LYS A 56 -9.557 11.245 26.907 1.00 93.44 C ATOM 431 NZ LYS A 56 -9.970 10.064 26.071 1.00 87.54 N ATOM 432 HZ1 LYS A 56 -9.325 9.972 25.261 1.00 0.00 H ATOM 433 HZ2 LYS A 56 -9.928 9.200 26.649 1.00 0.00 H ATOM 434 HZ3 LYS A 56 -10.941 10.207 25.728 1.00 0.00 H ATOM 435 H LYS A 56 -5.714 14.008 27.829 1.00 0.00 H ATOM 436 N THR A 57 -3.977 13.631 30.702 1.00 37.42 N ATOM 437 CA THR A 57 -2.933 13.569 31.748 1.00 41.55 C ATOM 438 C THR A 57 -2.641 14.916 32.399 1.00 40.84 C ATOM 439 O THR A 57 -2.139 14.986 33.522 1.00 41.87 O ATOM 440 CB THR A 57 -1.608 13.051 31.181 1.00 40.03 C ATOM 441 OG1 THR A 57 -1.106 13.998 30.237 1.00 45.97 O ATOM 442 CG2 THR A 57 -1.847 11.696 30.471 1.00 36.62 C ATOM 443 HG1 THR A 57 -1.762 14.112 29.504 1.00 0.00 H ATOM 444 H THR A 57 -3.699 13.788 29.712 1.00 0.00 H ATOM 445 N GLY A 58 -2.916 15.990 31.656 1.00 42.38 N ATOM 446 CA GLY A 58 -2.548 17.326 32.094 1.00 44.60 C ATOM 447 C GLY A 58 -1.050 17.523 31.993 1.00 45.56 C ATOM 448 O GLY A 58 -0.538 18.346 32.692 1.00 44.74 O ATOM 449 H GLY A 58 -3.403 15.868 30.745 1.00 0.00 H ATOM 450 N ALA A 59 -0.339 16.764 31.142 1.00 41.72 N ATOM 451 CA ALA A 59 1.129 16.917 31.007 1.00 36.55 C ATOM 452 C ALA A 59 1.500 16.811 29.556 1.00 41.57 C ATOM 453 O ALA A 59 0.730 16.228 28.770 1.00 40.53 O ATOM 454 CB ALA A 59 1.852 15.888 31.787 1.00 42.00 C ATOM 455 H ALA A 59 -0.830 16.052 30.564 1.00 0.00 H ATOM 456 N THR A 60 2.653 17.347 29.166 1.00 42.55 N ATOM 457 CA THR A 60 3.062 17.236 27.754 1.00 38.10 C ATOM 458 C THR A 60 3.647 15.849 27.527 1.00 42.44 C ATOM 459 O THR A 60 3.959 15.097 28.481 1.00 34.63 O ATOM 460 CB THR A 60 4.131 18.271 27.359 1.00 43.92 C ATOM 461 OG1 THR A 60 5.327 17.967 28.089 1.00 37.49 O ATOM 462 CG2 THR A 60 3.661 19.671 27.648 1.00 47.16 C ATOM 463 HG1 THR A 60 6.032 18.620 27.852 1.00 0.00 H ATOM 464 H THR A 60 3.261 17.840 29.851 1.00 0.00 H ATOM 465 N ILE A 61 3.785 15.464 26.261 1.00 33.06 N ATOM 466 CA ILE A 61 4.388 14.139 25.968 1.00 31.28 C ATOM 467 C ILE A 61 5.890 14.093 26.353 1.00 30.49 C ATOM 468 O ILE A 61 6.338 13.078 26.884 1.00 32.81 O ATOM 469 CB ILE A 61 4.138 13.768 24.457 1.00 35.77 C ATOM 470 CG1 ILE A 61 2.633 13.494 24.280 1.00 34.35 C ATOM 471 CG2 ILE A 61 4.924 12.508 24.055 1.00 32.24 C ATOM 472 CD1 ILE A 61 2.160 13.088 22.856 1.00 32.11 C ATOM 473 H ILE A 61 3.474 16.084 25.486 1.00 0.00 H ATOM 474 N PRO A 62 6.642 15.220 26.187 1.00 34.45 N ATOM 475 CA PRO A 62 8.005 15.186 26.729 1.00 35.53 C ATOM 476 C PRO A 62 8.003 14.942 28.247 1.00 37.98 C ATOM 477 O PRO A 62 8.910 14.294 28.716 1.00 40.00 O ATOM 478 CB PRO A 62 8.558 16.566 26.400 1.00 44.10 C ATOM 479 CG PRO A 62 7.825 16.884 25.111 1.00 40.20 C ATOM 480 CD PRO A 62 6.451 16.389 25.300 1.00 37.76 C ATOM 481 N TRP A 63 7.043 15.479 28.974 1.00 36.71 N ATOM 482 CA TRP A 63 7.062 15.339 30.423 1.00 38.46 C ATOM 483 C TRP A 63 6.747 13.855 30.746 1.00 38.88 C ATOM 484 O TRP A 63 7.369 13.232 31.619 1.00 37.91 O ATOM 485 CB TRP A 63 6.042 16.227 31.085 1.00 40.41 C ATOM 486 CG TRP A 63 6.029 16.061 32.611 1.00 51.81 C ATOM 487 CD1 TRP A 63 6.693 16.845 33.535 1.00 65.99 C ATOM 488 CD2 TRP A 63 5.303 15.087 33.380 1.00 46.60 C ATOM 489 NE1 TRP A 63 6.433 16.399 34.822 1.00 51.53 N ATOM 490 CE2 TRP A 63 5.583 15.333 34.755 1.00 45.83 C ATOM 491 CE3 TRP A 63 4.443 14.026 33.050 1.00 52.47 C ATOM 492 CZ2 TRP A 63 5.042 14.545 35.784 1.00 57.47 C ATOM 493 CZ3 TRP A 63 3.898 13.245 34.092 1.00 60.63 C ATOM 494 CH2 TRP A 63 4.199 13.521 35.436 1.00 55.94 C ATOM 495 HE1 TRP A 63 6.822 16.809 35.695 1.00 0.00 H ATOM 496 H TRP A 63 6.272 16.003 28.512 1.00 0.00 H ATOM 497 N ILE A 64 5.796 13.293 30.030 1.00 32.54 N ATOM 498 CA ILE A 64 5.434 11.877 30.272 1.00 30.44 C ATOM 499 C ILE A 64 6.643 11.019 30.012 1.00 35.00 C ATOM 500 O ILE A 64 6.997 10.134 30.826 1.00 32.42 O ATOM 501 CB ILE A 64 4.258 11.452 29.404 1.00 28.05 C ATOM 502 CG1 ILE A 64 3.007 12.197 29.842 1.00 29.09 C ATOM 503 CG2 ILE A 64 3.998 9.851 29.492 1.00 29.31 C ATOM 504 CD1 ILE A 64 1.790 11.986 28.836 1.00 32.02 C ATOM 505 H ILE A 64 5.301 13.841 29.298 1.00 0.00 H ATOM 506 N PHE A 65 7.316 11.255 28.890 1.00 33.35 N ATOM 507 CA PHE A 65 8.495 10.449 28.612 1.00 36.06 C ATOM 508 C PHE A 65 9.557 10.657 29.706 1.00 38.75 C ATOM 509 O PHE A 65 10.211 9.700 30.136 1.00 39.42 O ATOM 510 CB PHE A 65 9.110 10.775 27.247 1.00 34.14 C ATOM 511 CG PHE A 65 8.555 9.949 26.089 1.00 31.21 C ATOM 512 CD1 PHE A 65 7.289 10.156 25.595 1.00 27.44 C ATOM 513 CD2 PHE A 65 9.353 8.981 25.496 1.00 37.53 C ATOM 514 CE1 PHE A 65 6.811 9.420 24.537 1.00 28.29 C ATOM 515 CE2 PHE A 65 8.887 8.228 24.445 1.00 33.80 C ATOM 516 CZ PHE A 65 7.643 8.467 23.936 1.00 33.55 C ATOM 517 H PHE A 65 7.008 11.996 28.229 1.00 0.00 H ATOM 518 N GLU A 66 9.764 11.891 30.132 1.00 44.42 N ATOM 519 CA GLU A 66 10.822 12.129 31.126 1.00 43.34 C ATOM 520 C GLU A 66 10.495 11.475 32.455 1.00 46.52 C ATOM 521 O GLU A 66 11.354 10.873 33.070 1.00 43.57 O ATOM 522 CB GLU A 66 11.055 13.611 31.333 1.00 52.33 C ATOM 523 CG GLU A 66 12.259 13.960 32.237 1.00 54.96 C ATOM 524 CD GLU A 66 12.309 15.446 32.486 1.00 62.10 C ATOM 525 OE1 GLU A 66 12.098 16.186 31.514 1.00 63.97 O ATOM 526 OE2 GLU A 66 12.520 15.884 33.636 1.00 70.13 O ATOM 527 H GLU A 66 9.189 12.679 29.771 1.00 0.00 H ATOM 528 N LYS A 67 9.268 11.630 32.919 1.00 38.57 N ATOM 529 CA LYS A 67 8.939 11.204 34.293 1.00 44.62 C ATOM 530 C LYS A 67 8.389 9.806 34.387 1.00 48.96 C ATOM 531 O LYS A 67 8.523 9.183 35.445 1.00 41.16 O ATOM 532 CB LYS A 67 7.971 12.194 34.913 1.00 44.66 C ATOM 533 CG LYS A 67 8.602 13.629 35.037 1.00 55.02 C ATOM 534 CD LYS A 67 9.944 13.640 35.777 1.00 83.52 C ATOM 535 CE LYS A 67 10.584 15.037 35.873 1.00 83.28 C ATOM 536 NZ LYS A 67 12.033 14.944 36.284 1.00 72.84 N ATOM 537 HZ1 LYS A 67 12.099 14.483 37.214 1.00 0.00 H ATOM 538 HZ2 LYS A 67 12.557 14.385 35.580 1.00 0.00 H ATOM 539 HZ3 LYS A 67 12.438 15.900 36.340 1.00 0.00 H ATOM 540 H LYS A 67 8.534 12.052 32.316 1.00 0.00 H ATOM 541 N GLU A 68 7.824 9.298 33.290 1.00 39.63 N ATOM 542 CA GLU A 68 7.242 7.973 33.268 1.00 39.49 C ATOM 543 C GLU A 68 7.908 7.031 32.261 1.00 36.91 C ATOM 544 O GLU A 68 7.585 5.868 32.230 1.00 35.10 O ATOM 545 CB GLU A 68 5.729 8.066 32.992 1.00 35.89 C ATOM 546 CG GLU A 68 5.023 8.882 34.065 1.00 46.60 C ATOM 547 CD GLU A 68 3.531 9.057 33.818 1.00 44.84 C ATOM 548 OE1 GLU A 68 3.023 8.629 32.757 1.00 44.57 O ATOM 549 OE2 GLU A 68 2.859 9.619 34.728 1.00 46.71 O ATOM 550 H GLU A 68 7.801 9.872 32.423 1.00 0.00 H ATOM 551 N GLY A 69 8.851 7.518 31.462 1.00 35.84 N ATOM 552 CA GLY A 69 9.457 6.698 30.445 1.00 33.38 C ATOM 553 C GLY A 69 8.558 6.419 29.277 1.00 29.72 C ATOM 554 O GLY A 69 7.322 6.636 29.297 1.00 30.31 O ATOM 555 H GLY A 69 9.156 8.506 31.573 1.00 0.00 H ATOM 556 N GLU A 70 9.171 5.857 28.246 1.00 30.15 N ATOM 557 CA GLU A 70 8.399 5.447 27.069 1.00 31.91 C ATOM 558 C GLU A 70 7.343 4.395 27.456 1.00 31.91 C ATOM 559 O GLU A 70 6.220 4.420 26.973 1.00 27.80 O ATOM 560 CB GLU A 70 9.319 4.918 25.990 1.00 34.61 C ATOM 561 CG GLU A 70 8.505 4.632 24.677 1.00 34.95 C ATOM 562 CD GLU A 70 9.394 4.382 23.431 1.00 43.13 C ATOM 563 OE1 GLU A 70 10.615 4.550 23.498 1.00 47.32 O ATOM 564 OE2 GLU A 70 8.856 3.981 22.391 1.00 44.79 O ATOM 565 H GLU A 70 10.200 5.707 28.271 1.00 0.00 H ATOM 566 N VAL A 71 7.694 3.525 28.388 1.00 30.88 N ATOM 567 CA VAL A 71 6.708 2.530 28.852 1.00 29.21 C ATOM 568 C VAL A 71 5.474 3.243 29.458 1.00 30.36 C ATOM 569 O VAL A 71 4.333 2.872 29.186 1.00 29.79 O ATOM 570 CB VAL A 71 7.308 1.561 29.845 1.00 31.89 C ATOM 571 CG1 VAL A 71 7.794 2.276 31.099 1.00 34.02 C ATOM 572 CG2 VAL A 71 6.259 0.477 30.266 1.00 36.64 C ATOM 573 H VAL A 71 8.653 3.542 28.789 1.00 0.00 H ATOM 574 N GLY A 72 5.678 4.279 30.251 1.00 29.49 N ATOM 575 CA GLY A 72 4.517 4.974 30.815 1.00 28.76 C ATOM 576 C GLY A 72 3.703 5.700 29.742 1.00 29.99 C ATOM 577 O GLY A 72 2.460 5.770 29.781 1.00 28.96 O ATOM 578 H GLY A 72 6.644 4.596 30.471 1.00 0.00 H ATOM 579 N PHE A 73 4.381 6.256 28.752 1.00 28.87 N ATOM 580 CA PHE A 73 3.634 6.772 27.603 1.00 25.15 C ATOM 581 C PHE A 73 2.806 5.688 26.884 1.00 22.53 C ATOM 582 O PHE A 73 1.645 5.912 26.568 1.00 26.40 O ATOM 583 CB PHE A 73 4.571 7.462 26.585 1.00 25.38 C ATOM 584 CG PHE A 73 3.826 8.017 25.385 1.00 25.62 C ATOM 585 CD1 PHE A 73 3.116 9.162 25.521 1.00 25.47 C ATOM 586 CD2 PHE A 73 3.758 7.319 24.171 1.00 27.60 C ATOM 587 CE1 PHE A 73 2.348 9.681 24.442 1.00 25.20 C ATOM 588 CE2 PHE A 73 3.058 7.835 23.094 1.00 29.46 C ATOM 589 CZ PHE A 73 2.330 9.000 23.230 1.00 30.05 C ATOM 590 H PHE A 73 5.418 6.325 28.789 1.00 0.00 H ATOM 591 N ARG A 74 3.407 4.524 26.609 1.00 26.82 N ATOM 592 CA ARG A 74 2.657 3.451 25.904 1.00 24.43 C ATOM 593 C ARG A 74 1.447 2.952 26.680 1.00 27.19 C ATOM 594 O ARG A 74 0.403 2.653 26.097 1.00 25.64 O ATOM 595 CB ARG A 74 3.560 2.262 25.563 1.00 26.75 C ATOM 596 CG ARG A 74 4.746 2.592 24.600 1.00 25.51 C ATOM 597 CD ARG A 74 4.281 3.058 23.149 1.00 26.18 C ATOM 598 NE ARG A 74 5.449 3.638 22.468 1.00 28.96 N ATOM 599 CZ ARG A 74 5.398 4.585 21.518 1.00 28.58 C ATOM 600 NH1 ARG A 74 4.226 5.029 21.073 1.00 24.83 N ATOM 601 NH2 ARG A 74 6.551 5.075 21.046 1.00 31.66 N ATOM 602 HE ARG A 74 6.388 3.287 22.744 1.00 0.00 H ATOM 603 HH12 ARG A 74 4.193 5.763 20.337 1.00 0.00 H ATOM 604 HH11 ARG A 74 3.342 4.642 21.461 1.00 0.00 H ATOM 605 HH22 ARG A 74 6.541 5.809 20.310 1.00 0.00 H ATOM 606 HH21 ARG A 74 7.456 4.721 21.416 1.00 0.00 H ATOM 607 H ARG A 74 4.397 4.370 26.888 1.00 0.00 H ATOM 608 N THR A 75 1.565 2.855 28.003 1.00 25.41 N ATOM 609 CA THR A 75 0.434 2.354 28.784 1.00 27.47 C ATOM 610 C THR A 75 -0.651 3.395 28.772 1.00 30.71 C ATOM 611 O THR A 75 -1.826 3.058 28.600 1.00 27.98 O ATOM 612 CB THR A 75 0.815 1.963 30.292 1.00 38.95 C ATOM 613 OG1 THR A 75 1.149 3.141 31.037 1.00 42.77 O ATOM 614 CG2 THR A 75 1.982 1.045 30.280 1.00 32.38 C ATOM 615 HG1 THR A 75 1.922 3.591 30.612 1.00 0.00 H ATOM 616 H THR A 75 2.450 3.132 28.475 1.00 0.00 H ATOM 617 N ARG A 76 -0.284 4.677 28.842 1.00 30.15 N ATOM 618 CA ARG A 76 -1.338 5.729 28.697 1.00 25.80 C ATOM 619 C ARG A 76 -1.956 5.763 27.295 1.00 22.50 C ATOM 620 O ARG A 76 -3.199 5.910 27.158 1.00 27.06 O ATOM 621 CB ARG A 76 -0.818 7.157 29.008 1.00 25.01 C ATOM 622 CG ARG A 76 -0.536 7.408 30.466 1.00 45.02 C ATOM 623 CD ARG A 76 0.020 8.822 30.632 1.00 49.00 C ATOM 624 NE ARG A 76 0.431 9.157 31.998 1.00 36.58 N ATOM 625 CZ ARG A 76 -0.401 9.235 33.034 1.00 40.54 C ATOM 626 NH1 ARG A 76 0.066 9.550 34.235 1.00 43.01 N ATOM 627 NH2 ARG A 76 -1.700 8.964 32.876 1.00 54.65 N ATOM 628 HE ARG A 76 1.439 9.346 32.169 1.00 0.00 H ATOM 629 HH12 ARG A 76 -0.583 9.611 35.046 1.00 0.00 H ATOM 630 HH11 ARG A 76 1.081 9.736 34.366 1.00 0.00 H ATOM 631 HH22 ARG A 76 -2.347 9.026 33.688 1.00 0.00 H ATOM 632 HH21 ARG A 76 -2.064 8.691 31.941 1.00 0.00 H ATOM 633 H ARG A 76 0.711 4.938 28.994 1.00 0.00 H ATOM 634 N GLU A 77 -1.107 5.634 26.279 1.00 25.79 N ATOM 635 CA GLU A 77 -1.578 5.653 24.881 1.00 27.37 C ATOM 636 C GLU A 77 -2.542 4.486 24.598 1.00 28.55 C ATOM 637 O GLU A 77 -3.542 4.673 23.920 1.00 27.32 O ATOM 638 CB GLU A 77 -0.350 5.587 23.940 1.00 22.98 C ATOM 639 CG GLU A 77 -0.669 5.431 22.481 1.00 27.94 C ATOM 640 CD GLU A 77 0.546 5.390 21.628 1.00 29.85 C ATOM 641 OE1 GLU A 77 1.464 4.554 21.859 1.00 27.03 O ATOM 642 OE2 GLU A 77 0.633 6.248 20.736 1.00 28.48 O ATOM 643 H GLU A 77 -0.092 5.518 26.474 1.00 0.00 H ATOM 644 N THR A 78 -2.296 3.295 25.184 1.00 26.90 N ATOM 645 CA THR A 78 -3.127 2.151 24.848 1.00 25.45 C ATOM 646 C THR A 78 -4.487 2.359 25.421 1.00 25.51 C ATOM 647 O THR A 78 -5.491 2.014 24.763 1.00 30.27 O ATOM 648 CB THR A 78 -2.537 0.821 25.310 1.00 35.46 C ATOM 649 OG1 THR A 78 -1.249 0.678 24.704 1.00 44.79 O ATOM 650 CG2 THR A 78 -3.372 -0.298 24.834 1.00 27.54 C ATOM 651 HG1 THR A 78 -0.668 1.428 24.986 1.00 0.00 H ATOM 652 H THR A 78 -1.520 3.197 25.869 1.00 0.00 H ATOM 653 N VAL A 79 -4.539 2.937 26.617 1.00 28.03 N ATOM 654 CA VAL A 79 -5.824 3.195 27.325 1.00 27.54 C ATOM 655 C VAL A 79 -6.657 4.232 26.529 1.00 27.16 C ATOM 656 O VAL A 79 -7.885 4.033 26.271 1.00 30.98 O ATOM 657 CB VAL A 79 -5.570 3.684 28.787 1.00 41.99 C ATOM 658 CG1 VAL A 79 -6.861 4.256 29.425 1.00 42.25 C ATOM 659 CG2 VAL A 79 -4.986 2.474 29.660 1.00 47.08 C ATOM 660 H VAL A 79 -3.649 3.220 27.075 1.00 0.00 H ATOM 661 N VAL A 80 -5.987 5.301 26.108 1.00 28.17 N ATOM 662 CA VAL A 80 -6.655 6.305 25.285 1.00 32.95 C ATOM 663 C VAL A 80 -7.137 5.698 23.974 1.00 30.29 C ATOM 664 O VAL A 80 -8.273 5.956 23.572 1.00 31.65 O ATOM 665 CB VAL A 80 -5.705 7.492 24.974 1.00 30.18 C ATOM 666 CG1 VAL A 80 -6.273 8.384 23.813 1.00 32.53 C ATOM 667 CG2 VAL A 80 -5.505 8.318 26.211 1.00 35.30 C ATOM 668 H VAL A 80 -4.987 5.422 26.365 1.00 0.00 H ATOM 669 N LEU A 81 -6.274 4.935 23.271 1.00 27.53 N ATOM 670 CA LEU A 81 -6.687 4.351 22.004 1.00 35.74 C ATOM 671 C LEU A 81 -7.834 3.389 22.167 1.00 36.06 C ATOM 672 O LEU A 81 -8.726 3.309 21.299 1.00 31.92 O ATOM 673 CB LEU A 81 -5.525 3.627 21.318 1.00 28.58 C ATOM 674 CG LEU A 81 -4.509 4.566 20.681 1.00 33.01 C ATOM 675 CD1 LEU A 81 -3.336 3.787 20.185 1.00 29.67 C ATOM 676 CD2 LEU A 81 -5.133 5.357 19.489 1.00 32.14 C ATOM 677 H LEU A 81 -5.315 4.765 23.635 1.00 0.00 H ATOM 678 N ASN A 82 -7.791 2.598 23.233 1.00 31.21 N ATOM 679 CA ASN A 82 -8.907 1.708 23.500 1.00 36.04 C ATOM 680 C ASN A 82 -10.191 2.482 23.600 1.00 32.23 C ATOM 681 O ASN A 82 -11.241 2.055 23.084 1.00 34.02 O ATOM 682 CB ASN A 82 -8.741 0.892 24.811 1.00 36.89 C ATOM 683 CG ASN A 82 -9.911 -0.066 25.046 1.00 60.54 C ATOM 684 OD1 ASN A 82 -10.210 -0.909 24.190 1.00 40.54 O ATOM 685 ND2 ASN A 82 -10.585 0.070 26.194 1.00 81.41 N ATOM 686 HD22 ASN A 82 -10.297 0.793 26.884 1.00 0.00 H ATOM 687 HD21 ASN A 82 -11.397 -0.547 26.396 1.00 0.00 H ATOM 688 H ASN A 82 -6.968 2.616 23.869 1.00 0.00 H ATOM 689 N GLU A 83 -10.136 3.635 24.275 1.00 36.20 N ATOM 690 CA GLU A 83 -11.373 4.395 24.443 1.00 37.29 C ATOM 691 C GLU A 83 -11.785 5.052 23.119 1.00 32.87 C ATOM 692 O GLU A 83 -12.937 5.022 22.733 1.00 35.49 O ATOM 693 CB GLU A 83 -11.204 5.449 25.529 1.00 44.07 C ATOM 694 CG GLU A 83 -12.437 6.295 25.774 1.00 63.24 C ATOM 695 CD GLU A 83 -12.139 7.452 26.732 1.00 92.30 C ATOM 696 OE1 GLU A 83 -10.968 7.584 27.174 1.00102.13 O ATOM 697 OE2 GLU A 83 -13.070 8.227 27.037 1.00 99.72 O ATOM 698 H GLU A 83 -9.238 3.981 24.669 1.00 0.00 H ATOM 699 N LEU A 84 -10.833 5.663 22.424 1.00 33.25 N ATOM 700 CA LEU A 84 -11.231 6.482 21.245 1.00 38.27 C ATOM 701 C LEU A 84 -11.708 5.577 20.111 1.00 36.19 C ATOM 702 O LEU A 84 -12.630 5.931 19.378 1.00 37.51 O ATOM 703 CB LEU A 84 -10.073 7.348 20.778 1.00 29.91 C ATOM 704 CG LEU A 84 -9.649 8.416 21.771 1.00 35.46 C ATOM 705 CD1 LEU A 84 -8.530 9.255 21.197 1.00 36.65 C ATOM 706 CD2 LEU A 84 -10.837 9.295 22.180 1.00 45.62 C ATOM 707 H LEU A 84 -9.833 5.572 22.696 1.00 0.00 H ATOM 708 N THR A 85 -11.087 4.386 19.985 1.00 35.12 N ATOM 709 CA THR A 85 -11.541 3.468 18.947 1.00 30.76 C ATOM 710 C THR A 85 -12.873 2.868 19.246 1.00 35.49 C ATOM 711 O THR A 85 -13.470 2.211 18.385 1.00 41.33 O ATOM 712 CB THR A 85 -10.537 2.377 18.658 1.00 35.48 C ATOM 713 OG1 THR A 85 -10.302 1.573 19.841 1.00 36.99 O ATOM 714 CG2 THR A 85 -9.278 2.996 18.170 1.00 32.41 C ATOM 715 HG1 THR A 85 -9.951 2.149 20.566 1.00 0.00 H ATOM 716 H THR A 85 -10.301 4.128 20.615 1.00 0.00 H ATOM 717 N SER A 86 -13.410 3.107 20.436 1.00 40.75 N ATOM 718 CA SER A 86 -14.727 2.600 20.738 1.00 43.58 C ATOM 719 C SER A 86 -15.809 3.633 20.476 1.00 46.44 C ATOM 720 O SER A 86 -16.988 3.351 20.645 1.00 47.16 O ATOM 721 CB SER A 86 -14.829 2.112 22.210 1.00 48.04 C ATOM 722 OG SER A 86 -13.752 1.227 22.541 1.00 50.28 O ATOM 723 HG SER A 86 -12.890 1.700 22.424 1.00 0.00 H ATOM 724 H SER A 86 -12.885 3.656 21.146 1.00 0.00 H ATOM 725 N ARG A 87 -15.415 4.822 20.056 1.00 44.54 N ATOM 726 CA ARG A 87 -16.396 5.868 19.752 1.00 46.12 C ATOM 727 C ARG A 87 -16.954 5.685 18.369 1.00 41.73 C ATOM 728 O ARG A 87 -16.438 4.867 17.625 1.00 43.94 O ATOM 729 CB ARG A 87 -15.747 7.235 19.880 1.00 46.33 C ATOM 730 CG ARG A 87 -15.314 7.440 21.288 1.00 61.23 C ATOM 731 CD ARG A 87 -15.066 8.839 21.560 1.00 75.55 C ATOM 732 NE ARG A 87 -14.399 8.981 22.837 1.00 86.27 N ATOM 733 CZ ARG A 87 -13.887 10.124 23.257 1.00 78.99 C ATOM 734 NH1 ARG A 87 -13.990 11.199 22.486 1.00 65.30 N ATOM 735 NH2 ARG A 87 -13.278 10.189 24.433 1.00 68.43 N ATOM 736 HE ARG A 87 -14.319 8.146 23.451 1.00 0.00 H ATOM 737 HH12 ARG A 87 -13.592 12.106 22.803 1.00 0.00 H ATOM 738 HH11 ARG A 87 -14.469 11.134 21.565 1.00 0.00 H ATOM 739 HH22 ARG A 87 -12.876 11.090 24.761 1.00 0.00 H ATOM 740 HH21 ARG A 87 -13.203 9.339 25.027 1.00 0.00 H ATOM 741 H ARG A 87 -14.400 5.018 19.940 1.00 0.00 H ATOM 742 N LYS A 88 -17.960 6.476 18.014 1.00 41.67 N ATOM 743 CA LYS A 88 -18.517 6.454 16.667 1.00 43.35 C ATOM 744 C LYS A 88 -18.178 7.728 15.880 1.00 43.86 C ATOM 745 O LYS A 88 -17.855 8.755 16.464 1.00 41.77 O ATOM 746 CB LYS A 88 -20.037 6.299 16.742 1.00 53.52 C ATOM 747 CG LYS A 88 -20.514 5.262 17.740 1.00 79.92 C ATOM 748 CD LYS A 88 -19.925 3.864 17.462 1.00 97.63 C ATOM 749 CE LYS A 88 -20.604 2.759 18.307 1.00 88.52 C ATOM 750 NZ LYS A 88 -22.096 2.678 18.057 1.00 82.79 N ATOM 751 HZ1 LYS A 88 -22.537 3.588 18.301 1.00 0.00 H ATOM 752 HZ2 LYS A 88 -22.267 2.467 17.053 1.00 0.00 H ATOM 753 HZ3 LYS A 88 -22.504 1.924 18.645 1.00 0.00 H ATOM 754 H LYS A 88 -18.362 7.129 18.717 1.00 0.00 H ATOM 755 N ALA A 89 -18.279 7.641 14.556 1.00 42.99 N ATOM 756 CA ALA A 89 -18.287 8.813 13.697 1.00 44.85 C ATOM 757 C ALA A 89 -17.050 9.644 13.968 1.00 36.95 C ATOM 758 O ALA A 89 -17.113 10.847 14.228 1.00 40.36 O ATOM 759 CB ALA A 89 -19.545 9.609 13.919 1.00 47.45 C ATOM 760 H ALA A 89 -18.355 6.700 14.120 1.00 0.00 H ATOM 761 N LEU A 90 -15.891 8.990 13.908 1.00 31.34 N ATOM 762 CA LEU A 90 -14.635 9.671 14.203 1.00 32.03 C ATOM 763 C LEU A 90 -13.609 9.522 13.088 1.00 32.53 C ATOM 764 O LEU A 90 -13.565 8.517 12.384 1.00 31.55 O ATOM 765 CB LEU A 90 -14.071 9.110 15.512 1.00 33.68 C ATOM 766 CG LEU A 90 -12.744 9.517 16.066 1.00 35.14 C ATOM 767 CD1 LEU A 90 -12.823 10.936 16.630 1.00 44.62 C ATOM 768 CD2 LEU A 90 -12.438 8.539 17.206 1.00 40.85 C ATOM 769 H LEU A 90 -15.881 7.983 13.648 1.00 0.00 H ATOM 770 N VAL A 91 -12.785 10.526 12.959 1.00 27.18 N ATOM 771 CA VAL A 91 -11.475 10.395 12.308 1.00 26.68 C ATOM 772 C VAL A 91 -10.457 10.612 13.392 1.00 27.19 C ATOM 773 O VAL A 91 -10.504 11.628 14.105 1.00 26.74 O ATOM 774 CB VAL A 91 -11.233 11.459 11.140 1.00 26.02 C ATOM 775 CG1 VAL A 91 -9.840 11.298 10.571 1.00 28.44 C ATOM 776 CG2 VAL A 91 -12.274 11.386 10.069 1.00 27.47 C ATOM 777 H VAL A 91 -13.067 11.455 13.332 1.00 0.00 H ATOM 778 N LEU A 92 -9.509 9.696 13.484 1.00 24.32 N ATOM 779 CA LEU A 92 -8.496 9.722 14.521 1.00 23.75 C ATOM 780 C LEU A 92 -7.110 9.755 13.913 1.00 25.69 C ATOM 781 O LEU A 92 -6.750 8.848 13.149 1.00 28.26 O ATOM 782 CB LEU A 92 -8.633 8.443 15.405 1.00 28.19 C ATOM 783 CG LEU A 92 -7.642 8.287 16.531 1.00 26.43 C ATOM 784 CD1 LEU A 92 -7.713 9.447 17.533 1.00 29.57 C ATOM 785 CD2 LEU A 92 -7.906 6.924 17.253 1.00 32.35 C ATOM 786 H LEU A 92 -9.489 8.926 12.785 1.00 0.00 H ATOM 787 N ALA A 93 -6.307 10.749 14.296 1.00 24.48 N ATOM 788 CA ALA A 93 -4.874 10.723 14.023 1.00 23.87 C ATOM 789 C ALA A 93 -4.231 9.983 15.198 1.00 27.96 C ATOM 790 O ALA A 93 -4.349 10.374 16.356 1.00 26.57 O ATOM 791 CB ALA A 93 -4.273 12.158 13.862 1.00 25.51 C ATOM 792 H ALA A 93 -6.712 11.562 14.802 1.00 0.00 H ATOM 793 N THR A 94 -3.546 8.882 14.893 1.00 29.31 N ATOM 794 CA THR A 94 -2.877 8.091 15.929 1.00 27.16 C ATOM 795 C THR A 94 -1.465 8.601 16.143 1.00 32.63 C ATOM 796 O THR A 94 -0.912 9.313 15.342 1.00 29.65 O ATOM 797 CB THR A 94 -2.804 6.592 15.579 1.00 26.82 C ATOM 798 OG1 THR A 94 -1.958 6.441 14.415 1.00 29.24 O ATOM 799 CG2 THR A 94 -4.190 6.050 15.290 1.00 33.84 C ATOM 800 HG1 THR A 94 -2.345 6.949 13.659 1.00 0.00 H ATOM 801 H THR A 94 -3.485 8.578 13.900 1.00 0.00 H ATOM 802 N GLY A 95 -0.823 8.196 17.231 1.00 27.53 N ATOM 803 CA GLY A 95 0.546 8.603 17.422 1.00 26.35 C ATOM 804 C GLY A 95 1.498 7.793 16.539 1.00 25.01 C ATOM 805 O GLY A 95 1.157 6.695 16.102 1.00 26.94 O ATOM 806 H GLY A 95 -1.299 7.595 17.934 1.00 0.00 H ATOM 807 N GLY A 96 2.650 8.353 16.211 1.00 28.18 N ATOM 808 CA GLY A 96 3.579 7.713 15.304 1.00 27.84 C ATOM 809 C GLY A 96 4.017 6.289 15.709 1.00 31.42 C ATOM 810 O GLY A 96 4.319 5.477 14.863 1.00 31.58 O ATOM 811 H GLY A 96 2.895 9.279 16.616 1.00 0.00 H ATOM 812 N GLY A 97 4.070 6.004 17.008 1.00 29.87 N ATOM 813 CA GLY A 97 4.544 4.715 17.476 1.00 24.66 C ATOM 814 C GLY A 97 3.412 3.874 18.001 1.00 30.42 C ATOM 815 O GLY A 97 3.649 2.851 18.649 1.00 29.23 O ATOM 816 H GLY A 97 3.766 6.718 17.700 1.00 0.00 H ATOM 817 N ALA A 98 2.187 4.271 17.726 1.00 29.64 N ATOM 818 CA ALA A 98 1.040 3.529 18.281 1.00 28.92 C ATOM 819 C ALA A 98 1.037 2.075 17.836 1.00 29.67 C ATOM 820 O ALA A 98 0.639 1.202 18.625 1.00 32.01 O ATOM 821 CB ALA A 98 -0.267 4.151 17.860 1.00 31.61 C ATOM 822 H ALA A 98 2.030 5.102 17.121 1.00 0.00 H ATOM 823 N ILE A 99 1.481 1.834 16.596 1.00 24.59 N ATOM 824 CA ILE A 99 1.462 0.463 16.034 1.00 27.15 C ATOM 825 C ILE A 99 2.612 -0.418 16.558 1.00 26.35 C ATOM 826 O ILE A 99 2.714 -1.589 16.134 1.00 31.56 O ATOM 827 CB ILE A 99 1.475 0.459 14.491 1.00 35.95 C ATOM 828 CG1 ILE A 99 2.476 1.466 13.917 1.00 36.48 C ATOM 829 CG2 ILE A 99 0.062 0.801 14.000 1.00 41.14 C ATOM 830 CD1 ILE A 99 3.914 1.340 14.333 1.00 33.27 C ATOM 831 H ILE A 99 1.844 2.620 16.019 1.00 0.00 H ATOM 832 N THR A 100 3.463 0.116 17.437 1.00 28.77 N ATOM 833 CA THR A 100 4.512 -0.706 18.044 1.00 28.65 C ATOM 834 C THR A 100 3.949 -1.712 19.055 1.00 29.93 C ATOM 835 O THR A 100 4.623 -2.691 19.408 1.00 32.27 O ATOM 836 CB THR A 100 5.607 0.137 18.763 1.00 25.98 C ATOM 837 OG1 THR A 100 5.045 0.927 19.830 1.00 28.70 O ATOM 838 CG2 THR A 100 6.391 1.073 17.763 1.00 27.64 C ATOM 839 HG1 THR A 100 4.365 1.544 19.459 1.00 0.00 H ATOM 840 H THR A 100 3.381 1.121 17.692 1.00 0.00 H ATOM 841 N GLN A 101 2.724 -1.503 19.493 1.00 28.18 N ATOM 842 CA GLN A 101 2.157 -2.372 20.545 1.00 34.81 C ATOM 843 C GLN A 101 1.039 -3.213 20.004 1.00 31.89 C ATOM 844 O GLN A 101 0.095 -2.704 19.408 1.00 34.80 O ATOM 845 CB GLN A 101 1.662 -1.551 21.725 1.00 29.67 C ATOM 846 CG GLN A 101 2.739 -0.648 22.310 1.00 31.99 C ATOM 847 CD GLN A 101 4.018 -1.373 22.696 1.00 37.08 C ATOM 848 OE1 GLN A 101 3.963 -2.399 23.353 1.00 37.95 O ATOM 849 NE2 GLN A 101 5.182 -0.804 22.323 1.00 40.72 N ATOM 850 HE22 GLN A 101 5.176 0.072 21.762 1.00 0.00 H ATOM 851 HE21 GLN A 101 6.085 -1.241 22.596 1.00 0.00 H ATOM 852 H GLN A 101 2.156 -0.726 19.098 1.00 0.00 H ATOM 853 N ALA A 102 1.133 -4.522 20.218 1.00 31.01 N ATOM 854 CA ALA A 102 0.117 -5.445 19.706 1.00 32.01 C ATOM 855 C ALA A 102 -1.335 -5.112 20.061 1.00 32.90 C ATOM 856 O ALA A 102 -2.200 -5.234 19.191 1.00 34.19 O ATOM 857 CB ALA A 102 0.410 -6.923 20.198 1.00 37.99 C ATOM 858 H ALA A 102 1.940 -4.896 20.757 1.00 0.00 H ATOM 859 N PRO A 103 -1.638 -4.739 21.328 1.00 36.74 N ATOM 860 CA PRO A 103 -3.057 -4.435 21.570 1.00 35.65 C ATOM 861 C PRO A 103 -3.516 -3.263 20.684 1.00 34.63 C ATOM 862 O PRO A 103 -4.662 -3.284 20.300 1.00 33.88 O ATOM 863 CB PRO A 103 -3.113 -4.040 23.046 1.00 38.58 C ATOM 864 CG PRO A 103 -1.852 -4.657 23.661 1.00 45.98 C ATOM 865 CD PRO A 103 -0.822 -4.629 22.556 1.00 40.68 C ATOM 866 N ASN A 104 -2.665 -2.257 20.435 1.00 30.09 N ATOM 867 CA ASN A 104 -3.111 -1.106 19.609 1.00 29.75 C ATOM 868 C ASN A 104 -3.368 -1.543 18.162 1.00 29.74 C ATOM 869 O ASN A 104 -4.320 -1.106 17.527 1.00 27.35 O ATOM 870 CB ASN A 104 -2.076 -0.049 19.591 1.00 24.10 C ATOM 871 CG ASN A 104 -1.772 0.481 20.947 1.00 30.42 C ATOM 872 OD1 ASN A 104 -2.605 0.380 21.844 1.00 29.94 O ATOM 873 ND2 ASN A 104 -0.614 1.149 21.082 1.00 27.05 N ATOM 874 HD22 ASN A 104 0.053 1.200 20.286 1.00 0.00 H ATOM 875 HD21 ASN A 104 -0.385 1.615 21.983 1.00 0.00 H ATOM 876 H ASN A 104 -1.698 -2.283 20.818 1.00 0.00 H ATOM 877 N ARG A 105 -2.463 -2.351 17.619 1.00 30.76 N ATOM 878 CA ARG A 105 -2.659 -2.862 16.250 1.00 35.74 C ATOM 879 C ARG A 105 -3.969 -3.522 16.099 1.00 35.67 C ATOM 880 O ARG A 105 -4.656 -3.306 15.102 1.00 36.35 O ATOM 881 CB ARG A 105 -1.570 -3.843 15.844 1.00 35.43 C ATOM 882 CG ARG A 105 -0.234 -3.147 15.830 1.00 32.44 C ATOM 883 CD ARG A 105 0.768 -3.914 14.991 1.00 32.74 C ATOM 884 NE ARG A 105 1.135 -5.193 15.586 1.00 35.90 N ATOM 885 CZ ARG A 105 2.077 -5.364 16.507 1.00 38.26 C ATOM 886 NH1 ARG A 105 2.769 -4.338 16.977 1.00 34.17 N ATOM 887 NH2 ARG A 105 2.339 -6.592 16.955 1.00 38.19 N ATOM 888 HE ARG A 105 0.619 -6.037 15.265 1.00 0.00 H ATOM 889 HH12 ARG A 105 3.503 -4.492 17.698 1.00 0.00 H ATOM 890 HH11 ARG A 105 2.579 -3.378 16.625 1.00 0.00 H ATOM 891 HH22 ARG A 105 3.075 -6.737 17.676 1.00 0.00 H ATOM 892 HH21 ARG A 105 1.808 -7.405 16.584 1.00 0.00 H ATOM 893 H ARG A 105 -1.617 -2.623 18.160 1.00 0.00 H ATOM 894 N GLU A 106 -4.338 -4.321 17.103 1.00 35.23 N ATOM 895 CA GLU A 106 -5.621 -4.953 17.107 1.00 36.57 C ATOM 896 C GLU A 106 -6.807 -3.983 17.204 1.00 38.97 C ATOM 897 O GLU A 106 -7.765 -4.105 16.442 1.00 36.97 O ATOM 898 CB GLU A 106 -5.668 -5.980 18.236 1.00 41.77 C ATOM 899 CG GLU A 106 -4.636 -7.068 17.964 1.00 43.98 C ATOM 900 CD GLU A 106 -4.300 -7.971 19.190 1.00 63.73 C ATOM 901 OE1 GLU A 106 -4.695 -7.660 20.339 1.00 53.42 O ATOM 902 OE2 GLU A 106 -3.617 -9.004 18.994 1.00 56.30 O ATOM 903 H GLU A 106 -3.683 -4.486 17.894 1.00 0.00 H ATOM 904 N PHE A 107 -6.768 -3.022 18.109 1.00 31.42 N ATOM 905 CA PHE A 107 -7.884 -2.063 18.230 1.00 32.87 C ATOM 906 C PHE A 107 -8.072 -1.350 16.882 1.00 35.12 C ATOM 907 O PHE A 107 -9.165 -1.118 16.441 1.00 35.43 O ATOM 908 CB PHE A 107 -7.637 -0.947 19.280 1.00 38.02 C ATOM 909 CG PHE A 107 -7.437 -1.421 20.716 1.00 34.41 C ATOM 910 CD1 PHE A 107 -8.094 -2.537 21.214 1.00 40.71 C ATOM 911 CD2 PHE A 107 -6.578 -0.695 21.560 1.00 36.96 C ATOM 912 CE1 PHE A 107 -7.898 -2.937 22.546 1.00 52.99 C ATOM 913 CE2 PHE A 107 -6.376 -1.066 22.861 1.00 41.98 C ATOM 914 CZ PHE A 107 -7.031 -2.200 23.366 1.00 44.57 C ATOM 915 H PHE A 107 -5.946 -2.940 18.741 1.00 0.00 H ATOM 916 N LEU A 108 -6.984 -0.897 16.289 1.00 32.06 N ATOM 917 CA LEU A 108 -7.109 -0.110 15.064 1.00 30.69 C ATOM 918 C LEU A 108 -7.692 -0.943 13.900 1.00 33.51 C ATOM 919 O LEU A 108 -8.661 -0.549 13.223 1.00 30.62 O ATOM 920 CB LEU A 108 -5.734 0.444 14.715 1.00 28.94 C ATOM 921 CG LEU A 108 -5.221 1.483 15.724 1.00 30.57 C ATOM 922 CD1 LEU A 108 -3.758 1.759 15.448 1.00 30.46 C ATOM 923 CD2 LEU A 108 -6.116 2.818 15.686 1.00 32.48 C ATOM 924 H LEU A 108 -6.046 -1.098 16.690 1.00 0.00 H ATOM 925 N LYS A 109 -7.097 -2.107 13.686 1.00 33.69 N ATOM 926 CA LYS A 109 -7.466 -2.976 12.557 1.00 35.46 C ATOM 927 C LYS A 109 -8.887 -3.441 12.613 1.00 43.30 C ATOM 928 O LYS A 109 -9.545 -3.568 11.585 1.00 42.44 O ATOM 929 CB LYS A 109 -6.582 -4.228 12.512 1.00 44.14 C ATOM 930 CG LYS A 109 -5.763 -4.411 11.248 1.00 51.89 C ATOM 931 CD LYS A 109 -6.567 -4.609 9.997 1.00 65.83 C ATOM 932 CE LYS A 109 -5.673 -5.060 8.811 1.00 70.87 C ATOM 933 NZ LYS A 109 -4.963 -6.355 9.047 1.00101.16 N ATOM 934 HZ1 LYS A 109 -4.348 -6.265 9.881 1.00 0.00 H ATOM 935 HZ2 LYS A 109 -5.662 -7.107 9.210 1.00 0.00 H ATOM 936 HZ3 LYS A 109 -4.387 -6.590 8.214 1.00 0.00 H ATOM 937 H LYS A 109 -6.346 -2.416 14.336 1.00 0.00 H ATOM 938 N GLN A 110 -9.339 -3.752 13.831 1.00 45.14 N ATOM 939 CA GLN A 110 -10.606 -4.379 14.041 1.00 43.37 C ATOM 940 C GLN A 110 -11.744 -3.397 14.327 1.00 43.69 C ATOM 941 O GLN A 110 -12.892 -3.808 14.307 1.00 41.80 O ATOM 942 CB GLN A 110 -10.473 -5.394 15.198 1.00 47.79 C ATOM 943 CG GLN A 110 -9.434 -6.461 14.903 1.00 59.93 C ATOM 944 CD GLN A 110 -8.949 -7.185 16.171 1.00 71.46 C ATOM 945 OE1 GLN A 110 -9.585 -7.104 17.217 1.00 53.94 O ATOM 946 NE2 GLN A 110 -7.814 -7.884 16.074 1.00 52.29 N ATOM 947 HE22 GLN A 110 -7.306 -7.927 15.168 1.00 0.00 H ATOM 948 HE21 GLN A 110 -7.439 -8.385 16.905 1.00 0.00 H ATOM 949 H GLN A 110 -8.747 -3.530 14.657 1.00 0.00 H ATOM 950 N ARG A 111 -11.447 -2.111 14.580 1.00 30.24 N ATOM 951 CA ARG A 111 -12.509 -1.145 14.930 1.00 32.81 C ATOM 952 C ARG A 111 -12.714 0.047 13.928 1.00 32.09 C ATOM 953 O ARG A 111 -13.364 1.027 14.245 1.00 29.63 O ATOM 954 CB ARG A 111 -12.223 -0.561 16.328 1.00 46.33 C ATOM 955 CG ARG A 111 -12.707 -1.473 17.514 1.00 52.84 C ATOM 956 CD ARG A 111 -11.666 -1.899 18.494 1.00 52.08 C ATOM 957 NE ARG A 111 -11.541 -1.025 19.633 1.00 86.52 N ATOM 958 CZ ARG A 111 -11.568 -1.393 20.913 1.00 54.56 C ATOM 959 NH1 ARG A 111 -11.738 -2.664 21.317 1.00 55.43 N ATOM 960 NH2 ARG A 111 -11.396 -0.438 21.816 1.00 52.02 N ATOM 961 HE ARG A 111 -11.418 -0.011 19.437 1.00 0.00 H ATOM 962 HH12 ARG A 111 -11.750 -2.890 22.332 1.00 0.00 H ATOM 963 HH11 ARG A 111 -11.857 -3.421 20.614 1.00 0.00 H ATOM 964 HH22 ARG A 111 -11.408 -0.672 22.829 1.00 0.00 H ATOM 965 HH21 ARG A 111 -11.249 0.545 21.511 1.00 0.00 H ATOM 966 H ARG A 111 -10.458 -1.792 14.529 1.00 0.00 H ATOM 967 N GLY A 112 -12.177 -0.070 12.740 1.00 30.72 N ATOM 968 CA GLY A 112 -12.509 0.892 11.690 1.00 37.59 C ATOM 969 C GLY A 112 -11.598 0.686 10.492 1.00 37.28 C ATOM 970 O GLY A 112 -11.025 -0.386 10.317 1.00 37.52 O ATOM 971 H GLY A 112 -11.514 -0.847 12.543 1.00 0.00 H ATOM 972 N ILE A 113 -11.473 1.732 9.674 1.00 30.73 N ATOM 973 CA ILE A 113 -10.674 1.718 8.464 1.00 33.53 C ATOM 974 C ILE A 113 -9.338 2.383 8.717 1.00 35.08 C ATOM 975 O ILE A 113 -9.336 3.549 9.078 1.00 30.87 O ATOM 976 CB ILE A 113 -11.449 2.469 7.375 1.00 34.10 C ATOM 977 CG1 ILE A 113 -12.768 1.715 7.085 1.00 45.27 C ATOM 978 CG2 ILE A 113 -10.591 2.692 6.108 1.00 33.55 C ATOM 979 CD1 ILE A 113 -13.750 2.552 6.279 1.00 43.00 C ATOM 980 H ILE A 113 -11.978 2.608 9.918 1.00 0.00 H ATOM 981 N VAL A 114 -8.231 1.678 8.502 1.00 29.18 N ATOM 982 CA VAL A 114 -6.897 2.209 8.810 1.00 26.97 C ATOM 983 C VAL A 114 -6.201 2.633 7.519 1.00 31.93 C ATOM 984 O VAL A 114 -6.185 1.877 6.531 1.00 33.79 O ATOM 985 CB VAL A 114 -6.045 1.191 9.529 1.00 27.46 C ATOM 986 CG1 VAL A 114 -4.667 1.760 9.749 1.00 30.25 C ATOM 987 CG2 VAL A 114 -6.727 0.765 10.795 1.00 33.32 C ATOM 988 H VAL A 114 -8.313 0.721 8.103 1.00 0.00 H ATOM 989 N VAL A 115 -5.676 3.869 7.519 1.00 29.56 N ATOM 990 CA VAL A 115 -4.981 4.413 6.350 1.00 31.87 C ATOM 991 C VAL A 115 -3.562 4.804 6.756 1.00 29.49 C ATOM 992 O VAL A 115 -3.367 5.577 7.733 1.00 29.72 O ATOM 993 CB VAL A 115 -5.681 5.633 5.757 1.00 31.92 C ATOM 994 CG1 VAL A 115 -4.891 6.185 4.529 1.00 35.61 C ATOM 995 CG2 VAL A 115 -7.114 5.365 5.356 1.00 33.55 C ATOM 996 H VAL A 115 -5.765 4.456 8.373 1.00 0.00 H ATOM 997 N TYR A 116 -2.586 4.243 6.044 1.00 32.11 N ATOM 998 CA TYR A 116 -1.178 4.517 6.281 1.00 28.75 C ATOM 999 C TYR A 116 -0.736 5.627 5.322 1.00 25.91 C ATOM 1000 O TYR A 116 -0.770 5.473 4.066 1.00 29.35 O ATOM 1001 CB TYR A 116 -0.333 3.273 6.056 1.00 29.38 C ATOM 1002 CG TYR A 116 1.176 3.424 6.159 1.00 27.57 C ATOM 1003 CD1 TYR A 116 1.779 4.413 6.939 1.00 28.73 C ATOM 1004 CD2 TYR A 116 2.010 2.545 5.429 1.00 29.92 C ATOM 1005 CE1 TYR A 116 3.181 4.494 6.998 1.00 28.42 C ATOM 1006 CE2 TYR A 116 3.385 2.634 5.460 1.00 32.94 C ATOM 1007 CZ TYR A 116 3.963 3.607 6.283 1.00 30.59 C ATOM 1008 OH TYR A 116 5.360 3.641 6.280 1.00 33.77 O ATOM 1009 HH TYR A 116 5.711 2.768 6.588 1.00 0.00 H ATOM 1010 H TYR A 116 -2.842 3.580 5.285 1.00 0.00 H ATOM 1011 N LEU A 117 -0.347 6.740 5.939 1.00 26.23 N ATOM 1012 CA LEU A 117 0.254 7.872 5.209 1.00 32.72 C ATOM 1013 C LEU A 117 1.776 7.642 5.080 1.00 28.35 C ATOM 1014 O LEU A 117 2.586 8.166 5.886 1.00 27.62 O ATOM 1015 CB LEU A 117 -0.034 9.221 5.938 1.00 29.09 C ATOM 1016 CG LEU A 117 -1.526 9.613 6.057 1.00 35.19 C ATOM 1017 CD1 LEU A 117 -1.645 11.001 6.648 1.00 29.22 C ATOM 1018 CD2 LEU A 117 -2.241 9.569 4.781 1.00 54.40 C ATOM 1019 H LEU A 117 -0.471 6.814 6.969 1.00 0.00 H ATOM 1020 N TYR A 118 2.155 6.940 4.036 1.00 31.38 N ATOM 1021 CA TYR A 118 3.555 6.663 3.801 1.00 45.53 C ATOM 1022 C TYR A 118 4.243 7.964 3.509 1.00 38.29 C ATOM 1023 O TYR A 118 3.832 8.703 2.635 1.00 35.46 O ATOM 1024 CB TYR A 118 3.792 5.694 2.649 1.00 42.07 C ATOM 1025 CG TYR A 118 5.250 5.484 2.470 1.00 42.00 C ATOM 1026 CD1 TYR A 118 5.895 4.463 3.160 1.00 41.50 C ATOM 1027 CD2 TYR A 118 6.011 6.326 1.668 1.00 42.02 C ATOM 1028 CE1 TYR A 118 7.253 4.274 3.043 1.00 44.43 C ATOM 1029 CE2 TYR A 118 7.392 6.165 1.565 1.00 47.04 C ATOM 1030 CZ TYR A 118 8.000 5.120 2.268 1.00 50.37 C ATOM 1031 OH TYR A 118 9.346 4.908 2.226 1.00 53.23 O ATOM 1032 HH TYR A 118 9.573 4.125 2.787 1.00 0.00 H ATOM 1033 H TYR A 118 1.441 6.580 3.372 1.00 0.00 H ATOM 1034 N THR A 119 5.285 8.246 4.260 1.00 33.35 N ATOM 1035 CA THR A 119 5.987 9.497 4.152 1.00 30.26 C ATOM 1036 C THR A 119 7.486 9.231 4.131 1.00 34.56 C ATOM 1037 O THR A 119 8.016 8.592 5.086 1.00 32.41 O ATOM 1038 CB THR A 119 5.696 10.411 5.364 1.00 32.88 C ATOM 1039 OG1 THR A 119 4.287 10.526 5.561 1.00 30.04 O ATOM 1040 CG2 THR A 119 6.332 11.774 5.164 1.00 29.81 C ATOM 1041 HG1 THR A 119 3.904 9.629 5.729 1.00 0.00 H ATOM 1042 H THR A 119 5.612 7.543 4.953 1.00 0.00 H ATOM 1043 N PRO A 120 8.179 9.732 3.109 1.00 35.17 N ATOM 1044 CA PRO A 120 9.634 9.572 3.042 1.00 39.19 C ATOM 1045 C PRO A 120 10.363 10.252 4.205 1.00 40.33 C ATOM 1046 O PRO A 120 9.877 11.250 4.758 1.00 36.74 O ATOM 1047 CB PRO A 120 10.006 10.213 1.688 1.00 42.73 C ATOM 1048 CG PRO A 120 8.834 10.911 1.229 1.00 67.70 C ATOM 1049 CD PRO A 120 7.641 10.288 1.867 1.00 44.98 C ATOM 1050 N VAL A 121 11.546 9.740 4.549 1.00 39.47 N ATOM 1051 CA VAL A 121 12.249 10.274 5.706 1.00 37.64 C ATOM 1052 C VAL A 121 12.537 11.766 5.507 1.00 39.53 C ATOM 1053 O VAL A 121 12.491 12.551 6.461 1.00 33.50 O ATOM 1054 CB VAL A 121 13.557 9.476 5.933 1.00 39.69 C ATOM 1055 CG1 VAL A 121 14.544 10.183 6.901 1.00 49.16 C ATOM 1056 CG2 VAL A 121 13.196 8.087 6.465 1.00 39.81 C ATOM 1057 H VAL A 121 11.963 8.965 3.994 1.00 0.00 H ATOM 1058 N GLU A 122 12.863 12.130 4.257 1.00 38.17 N ATOM 1059 CA GLU A 122 13.228 13.518 3.943 1.00 40.33 C ATOM 1060 C GLU A 122 12.126 14.453 4.397 1.00 38.29 C ATOM 1061 O GLU A 122 12.383 15.457 5.037 1.00 34.07 O ATOM 1062 CB GLU A 122 13.484 13.687 2.458 1.00 43.10 C ATOM 1063 CG GLU A 122 13.860 15.093 2.135 1.00 49.76 C ATOM 1064 CD GLU A 122 13.989 15.350 0.664 1.00 58.54 C ATOM 1065 OE1 GLU A 122 15.033 15.898 0.290 1.00 62.40 O ATOM 1066 OE2 GLU A 122 13.058 15.022 -0.108 1.00 70.52 O ATOM 1067 H GLU A 122 12.857 11.418 3.499 1.00 0.00 H ATOM 1068 N LEU A 123 10.892 14.090 4.097 1.00 36.46 N ATOM 1069 CA LEU A 123 9.751 14.903 4.464 1.00 37.89 C ATOM 1070 C LEU A 123 9.445 14.809 5.940 1.00 36.01 C ATOM 1071 O LEU A 123 9.098 15.831 6.555 1.00 29.79 O ATOM 1072 CB LEU A 123 8.536 14.488 3.604 1.00 33.64 C ATOM 1073 CG LEU A 123 7.288 15.361 3.665 1.00 46.14 C ATOM 1074 CD1 LEU A 123 7.636 16.927 3.566 1.00 39.27 C ATOM 1075 CD2 LEU A 123 6.295 14.895 2.586 1.00 49.09 C ATOM 1076 H LEU A 123 10.736 13.199 3.585 1.00 0.00 H ATOM 1077 N GLN A 124 9.621 13.633 6.561 1.00 30.31 N ATOM 1078 CA GLN A 124 9.476 13.536 8.018 1.00 31.64 C ATOM 1079 C GLN A 124 10.416 14.536 8.766 1.00 25.80 C ATOM 1080 O GLN A 124 10.033 15.187 9.699 1.00 28.80 O ATOM 1081 CB GLN A 124 9.795 12.117 8.520 1.00 25.15 C ATOM 1082 CG GLN A 124 8.808 11.043 8.027 1.00 25.89 C ATOM 1083 CD GLN A 124 9.306 9.699 8.408 1.00 31.73 C ATOM 1084 OE1 GLN A 124 9.697 9.511 9.559 1.00 34.04 O ATOM 1085 NE2 GLN A 124 9.373 8.787 7.449 1.00 33.89 N ATOM 1086 HE22 GLN A 124 9.024 9.009 6.495 1.00 0.00 H ATOM 1087 HE21 GLN A 124 9.774 7.849 7.651 1.00 0.00 H ATOM 1088 H GLN A 124 9.861 12.786 6.007 1.00 0.00 H ATOM 1089 N LEU A 125 11.645 14.569 8.293 1.00 31.22 N ATOM 1090 CA LEU A 125 12.700 15.431 8.789 1.00 31.92 C ATOM 1091 C LEU A 125 12.333 16.905 8.663 1.00 33.00 C ATOM 1092 O LEU A 125 12.474 17.649 9.616 1.00 29.27 O ATOM 1093 CB LEU A 125 14.000 15.135 8.017 1.00 36.54 C ATOM 1094 CG LEU A 125 15.316 15.569 8.631 1.00 43.95 C ATOM 1095 CD1 LEU A 125 15.483 14.975 10.047 1.00 43.65 C ATOM 1096 CD2 LEU A 125 16.486 15.132 7.640 1.00 46.06 C ATOM 1097 H LEU A 125 11.876 13.930 7.506 1.00 0.00 H ATOM 1098 N GLN A 126 11.839 17.313 7.490 1.00 29.08 N ATOM 1099 CA GLN A 126 11.467 18.701 7.295 1.00 30.61 C ATOM 1100 C GLN A 126 10.348 19.101 8.215 1.00 31.98 C ATOM 1101 O GLN A 126 10.412 20.133 8.850 1.00 29.92 O ATOM 1102 CB GLN A 126 11.028 18.942 5.863 1.00 30.35 C ATOM 1103 CG GLN A 126 12.176 18.894 4.891 1.00 32.90 C ATOM 1104 CD GLN A 126 11.725 18.885 3.448 1.00 35.26 C ATOM 1105 OE1 GLN A 126 10.539 18.780 3.156 1.00 39.74 O ATOM 1106 NE2 GLN A 126 12.672 18.964 2.541 1.00 38.09 N ATOM 1107 HE22 GLN A 126 13.666 19.052 2.833 1.00 0.00 H ATOM 1108 HE21 GLN A 126 12.428 18.938 1.530 1.00 0.00 H ATOM 1109 H GLN A 126 11.721 16.632 6.713 1.00 0.00 H ATOM 1110 N ARG A 127 9.307 18.268 8.273 1.00 29.13 N ATOM 1111 CA ARG A 127 8.121 18.583 9.068 1.00 30.84 C ATOM 1112 C ARG A 127 8.285 18.523 10.609 1.00 28.31 C ATOM 1113 O ARG A 127 7.477 19.150 11.334 1.00 27.21 O ATOM 1114 CB ARG A 127 6.997 17.669 8.645 1.00 28.18 C ATOM 1115 CG ARG A 127 6.480 17.970 7.193 1.00 33.04 C ATOM 1116 CD ARG A 127 5.395 17.033 6.873 1.00 32.77 C ATOM 1117 NE ARG A 127 4.720 17.315 5.616 1.00 33.03 N ATOM 1118 CZ ARG A 127 4.038 16.405 4.935 1.00 40.76 C ATOM 1119 NH1 ARG A 127 3.965 15.148 5.389 1.00 34.80 N ATOM 1120 NH2 ARG A 127 3.451 16.742 3.782 1.00 37.84 N ATOM 1121 HE ARG A 127 4.775 18.280 5.232 1.00 0.00 H ATOM 1122 HH12 ARG A 127 3.430 14.433 4.856 1.00 0.00 H ATOM 1123 HH11 ARG A 127 4.443 14.886 6.275 1.00 0.00 H ATOM 1124 HH22 ARG A 127 2.915 16.031 3.244 1.00 0.00 H ATOM 1125 HH21 ARG A 127 3.531 17.715 3.423 1.00 0.00 H ATOM 1126 H ARG A 127 9.340 17.375 7.741 1.00 0.00 H ATOM 1127 N THR A 128 9.331 17.843 11.088 1.00 30.05 N ATOM 1128 CA THR A 128 9.667 17.777 12.516 1.00 30.04 C ATOM 1129 C THR A 128 10.900 18.603 12.907 1.00 30.20 C ATOM 1130 O THR A 128 11.379 18.548 14.024 1.00 30.58 O ATOM 1131 CB THR A 128 9.908 16.264 12.962 1.00 29.84 C ATOM 1132 OG1 THR A 128 11.045 15.747 12.257 1.00 29.62 O ATOM 1133 CG2 THR A 128 8.692 15.470 12.673 1.00 30.30 C ATOM 1134 HG1 THR A 128 10.873 15.786 11.283 1.00 0.00 H ATOM 1135 H THR A 128 9.939 17.334 10.415 1.00 0.00 H ATOM 1136 N TYR A 129 11.365 19.430 11.972 1.00 30.39 N ATOM 1137 CA TYR A 129 12.560 20.239 12.169 1.00 31.20 C ATOM 1138 C TYR A 129 12.437 21.111 13.410 1.00 32.12 C ATOM 1139 O TYR A 129 11.532 21.888 13.501 1.00 32.53 O ATOM 1140 CB TYR A 129 12.781 21.144 10.937 1.00 31.70 C ATOM 1141 CG TYR A 129 13.885 22.109 11.083 1.00 33.15 C ATOM 1142 CD1 TYR A 129 15.214 21.719 10.974 1.00 34.07 C ATOM 1143 CD2 TYR A 129 13.603 23.471 11.264 1.00 34.24 C ATOM 1144 CE1 TYR A 129 16.239 22.622 11.093 1.00 36.13 C ATOM 1145 CE2 TYR A 129 14.637 24.432 11.382 1.00 36.20 C ATOM 1146 CZ TYR A 129 15.947 24.020 11.299 1.00 37.20 C ATOM 1147 OH TYR A 129 16.939 24.948 11.389 1.00 39.75 O ATOM 1148 HH TYR A 129 17.818 24.499 11.312 1.00 0.00 H ATOM 1149 H TYR A 129 10.856 19.501 11.068 1.00 0.00 H ATOM 1150 N ARG A 130 13.359 20.937 14.334 1.00 32.90 N ATOM 1151 CA ARG A 130 13.381 21.676 15.621 1.00 34.33 C ATOM 1152 C ARG A 130 12.067 21.658 16.399 1.00 34.26 C ATOM 1153 O ARG A 130 11.791 22.538 17.198 1.00 35.77 O ATOM 1154 CB ARG A 130 13.792 23.135 15.398 1.00 35.94 C ATOM 1155 CG ARG A 130 14.961 23.323 14.451 1.00 42.76 C ATOM 1156 CD ARG A 130 16.280 23.298 15.100 1.00 61.59 C ATOM 1157 NE ARG A 130 16.386 24.247 16.207 1.00 51.41 N ATOM 1158 CZ ARG A 130 17.246 24.075 17.209 1.00 54.25 C ATOM 1159 NH1 ARG A 130 18.061 23.013 17.190 1.00 54.00 N ATOM 1160 NH2 ARG A 130 17.303 24.950 18.219 1.00 55.38 N ATOM 1161 HE ARG A 130 15.769 25.084 16.212 1.00 0.00 H ATOM 1162 HH12 ARG A 130 18.739 22.864 17.965 1.00 0.00 H ATOM 1163 HH11 ARG A 130 18.016 22.337 16.401 1.00 0.00 H ATOM 1164 HH22 ARG A 130 17.979 24.804 18.996 1.00 0.00 H ATOM 1165 HH21 ARG A 130 16.671 25.776 18.228 1.00 0.00 H ATOM 1166 H ARG A 130 14.113 20.244 14.152 1.00 0.00 H ATOM 1167 N ASP A 131 11.287 20.597 16.239 1.00 33.06 N ATOM 1168 CA ASP A 131 10.087 20.384 17.064 1.00 33.60 C ATOM 1169 C ASP A 131 10.511 19.686 18.371 1.00 34.24 C ATOM 1170 O ASP A 131 10.737 18.451 18.390 1.00 33.48 O ATOM 1171 CB ASP A 131 9.050 19.528 16.310 1.00 32.75 C ATOM 1172 CG ASP A 131 7.756 19.347 17.077 1.00 34.03 C ATOM 1173 OD1 ASP A 131 7.686 19.780 18.263 1.00 35.43 O ATOM 1174 OD2 ASP A 131 6.797 18.828 16.478 1.00 34.15 O ATOM 1175 H ASP A 131 11.530 19.896 15.510 1.00 0.00 H ATOM 1176 N LYS A 132 10.589 20.452 19.448 1.00 35.99 N ATOM 1177 CA LYS A 132 11.013 19.866 20.747 1.00 37.11 C ATOM 1178 C LYS A 132 9.937 18.989 21.401 1.00 37.41 C ATOM 1179 O LYS A 132 10.231 18.323 22.418 1.00 38.36 O ATOM 1180 CB LYS A 132 11.450 20.982 21.748 1.00 39.57 C ATOM 1181 CG LYS A 132 12.554 21.846 21.174 1.00 39.99 C ATOM 1182 CD LYS A 132 13.784 21.929 22.061 1.00 66.60 C ATOM 1183 CE LYS A 132 14.833 22.923 21.473 1.00 75.67 C ATOM 1184 NZ LYS A 132 14.929 24.196 22.232 1.00 85.55 N ATOM 1185 HZ1 LYS A 132 14.005 24.674 22.223 1.00 0.00 H ATOM 1186 HZ2 LYS A 132 15.206 23.993 23.214 1.00 0.00 H ATOM 1187 HZ3 LYS A 132 15.642 24.809 21.789 1.00 0.00 H ATOM 1188 H LYS A 132 10.354 21.463 19.385 1.00 0.00 H ATOM 1189 N ASN A 133 8.718 19.003 20.866 1.00 37.17 N ATOM 1190 CA ASN A 133 7.665 18.157 21.426 1.00 38.08 C ATOM 1191 C ASN A 133 7.731 16.676 21.009 1.00 36.80 C ATOM 1192 O ASN A 133 6.893 15.940 21.440 1.00 37.86 O ATOM 1193 CB ASN A 133 6.263 18.682 21.089 1.00 39.32 C ATOM 1194 CG ASN A 133 5.244 18.347 22.220 1.00 41.98 C ATOM 1195 OD1 ASN A 133 5.465 18.652 23.381 1.00 43.65 O ATOM 1196 ND2 ASN A 133 4.144 17.745 21.862 1.00 42.85 N ATOM 1197 HD22 ASN A 133 3.987 17.499 20.864 1.00 0.00 H ATOM 1198 HD21 ASN A 133 3.424 17.511 22.575 1.00 0.00 H ATOM 1199 H ASN A 133 8.515 19.615 20.050 1.00 0.00 H ATOM 1200 N ARG A 134 8.729 16.266 20.218 1.00 35.07 N ATOM 1201 CA ARG A 134 8.876 14.869 19.767 1.00 34.28 C ATOM 1202 C ARG A 134 10.032 14.242 20.546 1.00 34.67 C ATOM 1203 O ARG A 134 11.167 14.380 20.145 1.00 34.17 O ATOM 1204 CB ARG A 134 9.171 14.807 18.246 1.00 32.73 C ATOM 1205 CG ARG A 134 8.302 15.644 17.364 1.00 32.56 C ATOM 1206 CD ARG A 134 6.906 15.205 17.241 1.00 33.60 C ATOM 1207 NE ARG A 134 6.336 15.854 16.035 1.00 33.49 N ATOM 1208 CZ ARG A 134 5.283 15.410 15.360 1.00 34.49 C ATOM 1209 NH1 ARG A 134 4.650 14.315 15.755 1.00 35.72 N ATOM 1210 NH2 ARG A 134 4.882 16.078 14.263 1.00 34.65 N ATOM 1211 HE ARG A 134 6.796 16.722 15.693 1.00 0.00 H ATOM 1212 HH12 ARG A 134 3.825 13.971 15.223 1.00 0.00 H ATOM 1213 HH11 ARG A 134 4.978 13.800 16.597 1.00 0.00 H ATOM 1214 HH22 ARG A 134 4.059 15.744 13.723 1.00 0.00 H ATOM 1215 HH21 ARG A 134 5.395 16.929 13.956 1.00 0.00 H ATOM 1216 H ARG A 134 9.434 16.964 19.907 1.00 0.00 H ATOM 1217 N PRO A 135 9.751 13.592 21.687 1.00 36.10 N ATOM 1218 CA PRO A 135 10.881 13.182 22.535 1.00 37.06 C ATOM 1219 C PRO A 135 11.851 12.285 21.807 1.00 36.41 C ATOM 1220 O PRO A 135 13.030 12.377 22.053 1.00 37.16 O ATOM 1221 CB PRO A 135 10.211 12.417 23.687 1.00 38.82 C ATOM 1222 CG PRO A 135 8.837 12.999 23.783 1.00 39.35 C ATOM 1223 CD PRO A 135 8.456 13.309 22.315 1.00 37.50 C ATOM 1224 N LEU A 136 11.383 11.428 20.893 1.00 35.55 N ATOM 1225 CA LEU A 136 12.331 10.471 20.328 1.00 36.07 C ATOM 1226 C LEU A 136 13.303 11.171 19.394 1.00 34.93 C ATOM 1227 O LEU A 136 14.323 10.613 19.043 1.00 35.68 O ATOM 1228 CB LEU A 136 11.614 9.346 19.591 1.00 35.52 C ATOM 1229 CG LEU A 136 10.717 8.469 20.427 1.00 37.96 C ATOM 1230 CD1 LEU A 136 10.090 7.420 19.498 1.00 37.89 C ATOM 1231 CD2 LEU A 136 11.489 7.791 21.539 1.00 39.78 C ATOM 1232 H LEU A 136 10.386 11.442 20.597 1.00 0.00 H ATOM 1233 N LEU A 137 13.011 12.395 18.977 1.00 33.92 N ATOM 1234 CA LEU A 137 13.901 13.062 17.994 1.00 33.65 C ATOM 1235 C LEU A 137 14.825 14.047 18.642 1.00 39.11 C ATOM 1236 O LEU A 137 15.529 14.803 17.927 1.00 37.79 O ATOM 1237 CB LEU A 137 13.086 13.769 16.912 1.00 32.19 C ATOM 1238 CG LEU A 137 12.169 12.827 16.149 1.00 31.52 C ATOM 1239 CD1 LEU A 137 11.380 13.632 15.026 1.00 32.60 C ATOM 1240 CD2 LEU A 137 12.958 11.680 15.585 1.00 32.09 C ATOM 1241 H LEU A 137 12.166 12.884 19.335 1.00 0.00 H ATOM 1242 N GLN A 138 14.821 14.098 19.968 1.00 35.97 N ATOM 1243 CA GLN A 138 15.719 15.035 20.662 1.00 39.28 C ATOM 1244 C GLN A 138 17.077 14.369 20.771 1.00 44.44 C ATOM 1245 O GLN A 138 17.533 14.019 21.877 1.00 41.87 O ATOM 1246 CB GLN A 138 15.170 15.449 22.045 1.00 45.87 C ATOM 1247 CG GLN A 138 13.751 15.918 21.921 1.00 37.59 C ATOM 1248 CD GLN A 138 13.631 17.015 20.856 1.00 36.63 C ATOM 1249 OE1 GLN A 138 14.376 17.998 20.883 1.00 37.63 O ATOM 1250 NE2 GLN A 138 12.714 16.843 19.923 1.00 34.80 N ATOM 1251 HE22 GLN A 138 12.107 15.998 19.939 1.00 0.00 H ATOM 1252 HE21 GLN A 138 12.598 17.552 19.171 1.00 0.00 H ATOM 1253 H GLN A 138 14.187 13.480 20.513 1.00 0.00 H ATOM 1254 N VAL A 139 17.709 14.185 19.609 1.00 43.10 N ATOM 1255 CA VAL A 139 18.950 13.389 19.509 1.00 45.30 C ATOM 1256 C VAL A 139 19.900 14.104 18.538 1.00 46.57 C ATOM 1257 O VAL A 139 19.473 14.995 17.833 1.00 45.22 O ATOM 1258 CB VAL A 139 18.684 11.946 19.004 1.00 53.32 C ATOM 1259 CG1 VAL A 139 17.717 11.192 19.927 1.00 59.48 C ATOM 1260 CG2 VAL A 139 18.119 11.994 17.592 1.00 48.33 C ATOM 1261 H VAL A 139 17.316 14.615 18.748 1.00 0.00 H ATOM 1262 N GLU A 140 21.171 13.702 18.496 1.00 55.44 N ATOM 1263 CA GLU A 140 22.143 14.404 17.682 1.00 61.05 C ATOM 1264 C GLU A 140 21.861 14.219 16.201 1.00 59.62 C ATOM 1265 O GLU A 140 22.088 15.140 15.415 1.00 60.75 O ATOM 1266 CB GLU A 140 23.551 13.929 18.022 1.00 67.30 C ATOM 1267 CG GLU A 140 24.538 15.072 18.062 1.00 80.46 C ATOM 1268 CD GLU A 140 25.881 14.645 18.582 1.00 98.34 C ATOM 1269 OE1 GLU A 140 26.657 15.529 19.009 1.00107.85 O ATOM 1270 OE2 GLU A 140 26.157 13.423 18.562 1.00102.21 O ATOM 1271 H GLU A 140 21.468 12.876 19.053 1.00 0.00 H ATOM 1272 N ASN A 141 21.350 13.035 15.838 1.00 55.78 N ATOM 1273 CA ASN A 141 21.070 12.665 14.434 1.00 50.70 C ATOM 1274 C ASN A 141 19.617 12.255 14.240 1.00 45.86 C ATOM 1275 O ASN A 141 19.303 11.049 14.164 1.00 47.46 O ATOM 1276 CB ASN A 141 21.977 11.500 13.993 1.00 54.12 C ATOM 1277 CG ASN A 141 22.028 11.309 12.471 1.00 60.03 C ATOM 1278 OD1 ASN A 141 21.191 11.813 11.704 1.00 61.63 O ATOM 1279 ND2 ASN A 141 23.033 10.558 12.033 1.00 64.82 N ATOM 1280 HD22 ASN A 141 23.713 10.154 12.708 1.00 0.00 H ATOM 1281 HD21 ASN A 141 23.139 10.374 11.015 1.00 0.00 H ATOM 1282 H ASN A 141 21.139 12.340 16.582 1.00 0.00 H ATOM 1283 N PRO A 142 18.718 13.241 14.188 1.00 47.29 N ATOM 1284 CA PRO A 142 17.315 12.846 14.047 1.00 52.19 C ATOM 1285 C PRO A 142 17.017 12.124 12.712 1.00 44.89 C ATOM 1286 O PRO A 142 16.090 11.339 12.644 1.00 39.60 O ATOM 1287 CB PRO A 142 16.563 14.170 14.149 1.00 45.60 C ATOM 1288 CG PRO A 142 17.597 15.270 14.092 1.00 50.75 C ATOM 1289 CD PRO A 142 18.872 14.661 14.551 1.00 43.45 C ATOM 1290 N GLU A 143 17.795 12.372 11.665 1.00 41.40 N ATOM 1291 CA GLU A 143 17.508 11.722 10.403 1.00 54.40 C ATOM 1292 C GLU A 143 17.725 10.226 10.554 1.00 54.37 C ATOM 1293 O GLU A 143 16.899 9.422 10.144 1.00 43.70 O ATOM 1294 CB GLU A 143 18.383 12.278 9.283 1.00 55.31 C ATOM 1295 CG GLU A 143 18.228 11.487 8.024 1.00 52.79 C ATOM 1296 CD GLU A 143 19.005 12.059 6.857 1.00 66.42 C ATOM 1297 OE1 GLU A 143 19.929 12.884 7.070 1.00 55.54 O ATOM 1298 OE2 GLU A 143 18.685 11.668 5.720 1.00 58.83 O ATOM 1299 H GLU A 143 18.600 13.025 11.750 1.00 0.00 H ATOM 1300 N GLN A 144 18.838 9.845 11.148 1.00 45.66 N ATOM 1301 CA GLN A 144 19.126 8.416 11.279 1.00 48.77 C ATOM 1302 C GLN A 144 18.046 7.776 12.153 1.00 44.45 C ATOM 1303 O GLN A 144 17.601 6.679 11.869 1.00 46.94 O ATOM 1304 CB GLN A 144 20.494 8.174 11.858 1.00 53.16 C ATOM 1305 CG GLN A 144 20.902 6.685 11.733 1.00 66.86 C ATOM 1306 CD GLN A 144 20.955 6.219 10.284 1.00 59.96 C ATOM 1307 OE1 GLN A 144 21.644 6.814 9.464 1.00 82.42 O ATOM 1308 NE2 GLN A 144 20.190 5.181 9.960 1.00 58.74 N ATOM 1309 HE22 GLN A 144 19.621 4.706 10.690 1.00 0.00 H ATOM 1310 HE21 GLN A 144 20.160 4.844 8.977 1.00 0.00 H ATOM 1311 H GLN A 144 19.504 10.552 11.520 1.00 0.00 H ATOM 1312 N LYS A 145 17.587 8.496 13.177 1.00 48.95 N ATOM 1313 CA LYS A 145 16.579 7.981 14.102 1.00 39.75 C ATOM 1314 C LYS A 145 15.282 7.688 13.360 1.00 39.80 C ATOM 1315 O LYS A 145 14.654 6.631 13.571 1.00 39.51 O ATOM 1316 CB LYS A 145 16.336 8.984 15.238 1.00 53.55 C ATOM 1317 CG LYS A 145 15.282 8.580 16.274 1.00 36.83 C ATOM 1318 CD LYS A 145 15.697 7.293 17.066 1.00 43.93 C ATOM 1319 CE LYS A 145 14.575 6.854 18.013 1.00 71.64 C ATOM 1320 NZ LYS A 145 14.870 5.623 18.845 1.00 81.99 N ATOM 1321 HZ1 LYS A 145 15.056 4.817 18.215 1.00 0.00 H ATOM 1322 HZ2 LYS A 145 15.705 5.800 19.439 1.00 0.00 H ATOM 1323 HZ3 LYS A 145 14.051 5.410 19.450 1.00 0.00 H ATOM 1324 H LYS A 145 17.959 9.456 13.323 1.00 0.00 H ATOM 1325 N LEU A 146 14.842 8.640 12.543 1.00 37.62 N ATOM 1326 CA LEU A 146 13.630 8.471 11.747 1.00 39.90 C ATOM 1327 C LEU A 146 13.789 7.290 10.810 1.00 40.85 C ATOM 1328 O LEU A 146 12.857 6.499 10.616 1.00 40.20 O ATOM 1329 CB LEU A 146 13.323 9.718 10.943 1.00 38.04 C ATOM 1330 CG LEU A 146 12.802 10.892 11.784 1.00 35.67 C ATOM 1331 CD1 LEU A 146 12.809 12.146 10.969 1.00 37.17 C ATOM 1332 CD2 LEU A 146 11.393 10.652 12.350 1.00 37.30 C ATOM 1333 H LEU A 146 15.376 9.529 12.469 1.00 0.00 H ATOM 1334 N ARG A 147 14.979 7.161 10.249 1.00 38.90 N ATOM 1335 CA ARG A 147 15.256 6.075 9.310 1.00 39.64 C ATOM 1336 C ARG A 147 15.171 4.739 10.054 1.00 40.37 C ATOM 1337 O ARG A 147 14.531 3.779 9.571 1.00 48.40 O ATOM 1338 CB ARG A 147 16.639 6.276 8.667 1.00 51.48 C ATOM 1339 CG ARG A 147 16.663 6.111 7.202 1.00 72.70 C ATOM 1340 CD ARG A 147 18.045 6.440 6.670 1.00 65.58 C ATOM 1341 NE ARG A 147 18.143 7.797 6.134 1.00 55.10 N ATOM 1342 CZ ARG A 147 17.462 8.223 5.070 1.00 59.41 C ATOM 1343 NH1 ARG A 147 16.615 7.402 4.429 1.00 53.92 N ATOM 1344 NH2 ARG A 147 17.625 9.466 4.630 1.00 57.74 N ATOM 1345 HE ARG A 147 18.780 8.468 6.610 1.00 0.00 H ATOM 1346 HH12 ARG A 147 16.088 7.743 3.600 1.00 0.00 H ATOM 1347 HH11 ARG A 147 16.486 6.425 4.762 1.00 0.00 H ATOM 1348 HH22 ARG A 147 17.093 9.798 3.800 1.00 0.00 H ATOM 1349 HH21 ARG A 147 18.284 10.107 5.116 1.00 0.00 H ATOM 1350 H ARG A 147 15.730 7.843 10.479 1.00 0.00 H ATOM 1351 N ASP A 148 15.811 4.663 11.224 1.00 43.51 N ATOM 1352 CA ASP A 148 15.804 3.446 12.024 1.00 43.17 C ATOM 1353 C ASP A 148 14.376 3.062 12.431 1.00 40.20 C ATOM 1354 O ASP A 148 14.007 1.865 12.440 1.00 41.56 O ATOM 1355 CB ASP A 148 16.674 3.605 13.283 1.00 45.12 C ATOM 1356 CG ASP A 148 18.157 3.696 12.978 1.00 49.32 C ATOM 1357 OD1 ASP A 148 18.610 3.209 11.918 1.00 66.74 O ATOM 1358 OD2 ASP A 148 18.881 4.259 13.827 1.00 52.28 O ATOM 1359 H ASP A 148 16.328 5.495 11.573 1.00 0.00 H ATOM 1360 N LEU A 149 13.593 4.064 12.787 1.00 37.10 N ATOM 1361 CA LEU A 149 12.238 3.865 13.224 1.00 37.12 C ATOM 1362 C LEU A 149 11.390 3.354 12.087 1.00 41.22 C ATOM 1363 O LEU A 149 10.568 2.446 12.266 1.00 34.44 O ATOM 1364 CB LEU A 149 11.661 5.161 13.764 1.00 37.40 C ATOM 1365 CG LEU A 149 12.074 5.610 15.162 1.00 35.46 C ATOM 1366 CD1 LEU A 149 11.420 6.954 15.456 1.00 35.58 C ATOM 1367 CD2 LEU A 149 11.688 4.619 16.269 1.00 36.78 C ATOM 1368 H LEU A 149 13.970 5.032 12.750 1.00 0.00 H ATOM 1369 N LEU A 150 11.590 3.937 10.908 1.00 37.09 N ATOM 1370 CA LEU A 150 10.837 3.533 9.738 1.00 35.07 C ATOM 1371 C LEU A 150 11.151 2.080 9.355 1.00 37.04 C ATOM 1372 O LEU A 150 10.269 1.336 8.946 1.00 38.69 O ATOM 1373 CB LEU A 150 11.126 4.460 8.554 1.00 35.33 C ATOM 1374 CG LEU A 150 10.256 4.184 7.319 1.00 40.83 C ATOM 1375 CD1 LEU A 150 8.751 4.344 7.630 1.00 37.63 C ATOM 1376 CD2 LEU A 150 10.643 5.090 6.185 1.00 45.29 C ATOM 1377 H LEU A 150 12.298 4.694 10.825 1.00 0.00 H ATOM 1378 N LYS A 151 12.407 1.679 9.496 1.00 40.65 N ATOM 1379 CA LYS A 151 12.791 0.337 9.119 1.00 47.69 C ATOM 1380 C LYS A 151 12.004 -0.651 9.948 1.00 47.03 C ATOM 1381 O LYS A 151 11.569 -1.690 9.449 1.00 44.48 O ATOM 1382 CB LYS A 151 14.287 0.101 9.304 1.00 53.17 C ATOM 1383 CG LYS A 151 14.660 -1.331 8.998 1.00 50.82 C ATOM 1384 CD LYS A 151 16.156 -1.524 8.851 1.00 55.47 C ATOM 1385 CE LYS A 151 16.464 -2.923 8.348 1.00 60.82 C ATOM 1386 NZ LYS A 151 17.844 -3.014 7.792 1.00 66.42 N ATOM 1387 HZ1 LYS A 151 17.941 -2.350 6.998 1.00 0.00 H ATOM 1388 HZ2 LYS A 151 18.532 -2.772 8.534 1.00 0.00 H ATOM 1389 HZ3 LYS A 151 18.019 -3.983 7.458 1.00 0.00 H ATOM 1390 H LYS A 151 13.119 2.333 9.880 1.00 0.00 H ATOM 1391 N ILE A 152 11.792 -0.302 11.209 1.00 42.43 N ATOM 1392 CA ILE A 152 11.059 -1.173 12.135 1.00 44.42 C ATOM 1393 C ILE A 152 9.550 -1.083 11.939 1.00 37.81 C ATOM 1394 O ILE A 152 8.817 -2.093 12.020 1.00 39.35 O ATOM 1395 CB ILE A 152 11.412 -0.819 13.591 1.00 45.39 C ATOM 1396 CG1 ILE A 152 12.880 -1.219 13.866 1.00 52.42 C ATOM 1397 CG2 ILE A 152 10.449 -1.506 14.614 1.00 44.20 C ATOM 1398 CD1 ILE A 152 13.414 -0.623 15.153 1.00 81.27 C ATOM 1399 H ILE A 152 12.154 0.611 11.550 1.00 0.00 H ATOM 1400 N ARG A 153 9.066 0.123 11.742 1.00 35.13 N ATOM 1401 CA ARG A 153 7.638 0.367 11.817 1.00 35.92 C ATOM 1402 C ARG A 153 6.891 0.321 10.486 1.00 32.18 C ATOM 1403 O ARG A 153 5.685 0.023 10.442 1.00 37.73 O ATOM 1404 CB ARG A 153 7.407 1.717 12.497 1.00 36.80 C ATOM 1405 CG ARG A 153 8.004 1.718 13.907 1.00 40.35 C ATOM 1406 CD ARG A 153 7.849 3.047 14.448 1.00 38.74 C ATOM 1407 NE ARG A 153 8.228 3.122 15.859 1.00 38.58 N ATOM 1408 CZ ARG A 153 8.036 4.241 16.551 1.00 33.78 C ATOM 1409 NH1 ARG A 153 7.559 5.313 15.921 1.00 30.31 N ATOM 1410 NH2 ARG A 153 8.332 4.304 17.839 1.00 33.86 N ATOM 1411 HE ARG A 153 8.651 2.294 16.324 1.00 0.00 H ATOM 1412 HH12 ARG A 153 7.402 6.197 16.445 1.00 0.00 H ATOM 1413 HH11 ARG A 153 7.343 5.266 14.905 1.00 0.00 H ATOM 1414 HH22 ARG A 153 8.176 5.187 18.366 1.00 0.00 H ATOM 1415 HH21 ARG A 153 8.721 3.471 18.325 1.00 0.00 H ATOM 1416 H ARG A 153 9.713 0.910 11.530 1.00 0.00 H ATOM 1417 N ASP A 154 7.615 0.516 9.397 1.00 35.86 N ATOM 1418 CA ASP A 154 6.978 0.412 8.080 1.00 34.02 C ATOM 1419 C ASP A 154 6.198 -0.901 7.899 1.00 36.05 C ATOM 1420 O ASP A 154 5.050 -0.834 7.458 1.00 34.16 O ATOM 1421 CB ASP A 154 7.996 0.584 6.953 1.00 39.82 C ATOM 1422 CG ASP A 154 7.328 0.602 5.564 1.00 37.71 C ATOM 1423 OD1 ASP A 154 6.539 1.520 5.234 1.00 36.77 O ATOM 1424 OD2 ASP A 154 7.544 -0.350 4.805 1.00 39.98 O ATOM 1425 H ASP A 154 8.627 0.741 9.474 1.00 0.00 H ATOM 1426 N PRO A 155 6.774 -2.073 8.275 1.00 36.62 N ATOM 1427 CA PRO A 155 5.926 -3.251 8.075 1.00 38.13 C ATOM 1428 C PRO A 155 4.690 -3.238 8.987 1.00 39.14 C ATOM 1429 O PRO A 155 3.665 -3.893 8.674 1.00 38.66 O ATOM 1430 CB PRO A 155 6.859 -4.463 8.444 1.00 43.57 C ATOM 1431 CG PRO A 155 8.125 -3.838 9.025 1.00 47.33 C ATOM 1432 CD PRO A 155 8.186 -2.436 8.536 1.00 38.75 C ATOM 1433 N LEU A 156 4.818 -2.627 10.157 1.00 35.70 N ATOM 1434 CA LEU A 156 3.708 -2.605 11.090 1.00 35.34 C ATOM 1435 C LEU A 156 2.625 -1.638 10.591 1.00 33.52 C ATOM 1436 O LEU A 156 1.449 -1.938 10.665 1.00 34.21 O ATOM 1437 CB LEU A 156 4.176 -2.199 12.496 1.00 35.17 C ATOM 1438 CG LEU A 156 5.283 -3.147 13.040 1.00 37.70 C ATOM 1439 CD1 LEU A 156 5.864 -2.602 14.349 1.00 37.79 C ATOM 1440 CD2 LEU A 156 4.758 -4.493 13.226 1.00 40.40 C ATOM 1441 H LEU A 156 5.715 -2.163 10.406 1.00 0.00 H ATOM 1442 N TYR A 157 3.034 -0.516 10.024 1.00 34.47 N ATOM 1443 CA TYR A 157 2.046 0.418 9.470 1.00 30.79 C ATOM 1444 C TYR A 157 1.264 -0.294 8.359 1.00 33.06 C ATOM 1445 O TYR A 157 0.054 -0.220 8.288 1.00 34.28 O ATOM 1446 CB TYR A 157 2.689 1.654 8.879 1.00 31.37 C ATOM 1447 CG TYR A 157 3.377 2.609 9.862 1.00 28.58 C ATOM 1448 CD1 TYR A 157 2.712 3.101 10.998 1.00 29.71 C ATOM 1449 CD2 TYR A 157 4.659 3.040 9.625 1.00 29.60 C ATOM 1450 CE1 TYR A 157 3.336 3.993 11.868 1.00 26.94 C ATOM 1451 CE2 TYR A 157 5.286 3.928 10.498 1.00 28.10 C ATOM 1452 CZ TYR A 157 4.635 4.396 11.596 1.00 29.48 C ATOM 1453 OH TYR A 157 5.350 5.254 12.451 1.00 30.38 O ATOM 1454 HH TYR A 157 4.770 5.523 13.207 1.00 0.00 H ATOM 1455 H TYR A 157 4.049 -0.296 9.971 1.00 0.00 H ATOM 1456 N ARG A 158 1.988 -0.994 7.495 1.00 33.25 N ATOM 1457 CA ARG A 158 1.363 -1.656 6.327 1.00 35.00 C ATOM 1458 C ARG A 158 0.453 -2.811 6.762 1.00 37.20 C ATOM 1459 O ARG A 158 -0.646 -3.044 6.168 1.00 37.92 O ATOM 1460 CB ARG A 158 2.438 -2.140 5.363 1.00 40.00 C ATOM 1461 CG ARG A 158 3.144 -0.955 4.625 1.00 35.66 C ATOM 1462 CD ARG A 158 4.295 -1.513 3.759 1.00 38.89 C ATOM 1463 NE ARG A 158 5.079 -0.449 3.150 1.00 47.23 N ATOM 1464 CZ ARG A 158 4.642 0.323 2.163 1.00 56.77 C ATOM 1465 NH1 ARG A 158 3.410 0.151 1.678 1.00 57.49 N ATOM 1466 NH2 ARG A 158 5.430 1.269 1.655 1.00 47.45 N ATOM 1467 HE ARG A 158 6.040 -0.283 3.510 1.00 0.00 H ATOM 1468 HH12 ARG A 158 3.067 0.755 0.905 1.00 0.00 H ATOM 1469 HH11 ARG A 158 2.794 -0.587 2.074 1.00 0.00 H ATOM 1470 HH22 ARG A 158 5.085 1.873 0.882 1.00 0.00 H ATOM 1471 HH21 ARG A 158 6.390 1.404 2.032 1.00 0.00 H ATOM 1472 H ARG A 158 3.014 -1.079 7.641 1.00 0.00 H ATOM 1473 N GLU A 159 0.902 -3.565 7.781 1.00 37.35 N ATOM 1474 CA GLU A 159 0.106 -4.678 8.209 1.00 39.50 C ATOM 1475 C GLU A 159 -1.239 -4.220 8.800 1.00 39.34 C ATOM 1476 O GLU A 159 -2.244 -4.861 8.560 1.00 41.33 O ATOM 1477 CB GLU A 159 0.882 -5.523 9.239 1.00 40.83 C ATOM 1478 CG GLU A 159 0.167 -6.777 9.691 1.00 55.52 C ATOM 1479 CD GLU A 159 -0.307 -6.615 11.127 1.00 73.46 C ATOM 1480 OE1 GLU A 159 0.543 -6.683 12.077 1.00 66.59 O ATOM 1481 OE2 GLU A 159 -1.533 -6.377 11.282 1.00 50.86 O ATOM 1482 H GLU A 159 1.805 -3.346 8.248 1.00 0.00 H ATOM 1483 N VAL A 160 -1.256 -3.136 9.592 1.00 37.52 N ATOM 1484 CA VAL A 160 -2.517 -2.705 10.208 1.00 38.15 C ATOM 1485 C VAL A 160 -3.378 -1.995 9.126 1.00 38.03 C ATOM 1486 O VAL A 160 -4.601 -1.984 9.202 1.00 39.78 O ATOM 1487 CB VAL A 160 -2.320 -1.699 11.405 1.00 36.82 C ATOM 1488 CG1 VAL A 160 -1.565 -2.368 12.525 1.00 37.63 C ATOM 1489 CG2 VAL A 160 -1.537 -0.522 10.912 1.00 41.30 C ATOM 1490 H VAL A 160 -0.380 -2.604 9.768 1.00 0.00 H ATOM 1491 N ALA A 161 -2.721 -1.397 8.151 1.00 37.31 N ATOM 1492 CA ALA A 161 -3.474 -0.550 7.211 1.00 36.20 C ATOM 1493 C ALA A 161 -4.294 -1.305 6.220 1.00 38.27 C ATOM 1494 O ALA A 161 -3.813 -2.260 5.561 1.00 41.84 O ATOM 1495 CB ALA A 161 -2.545 0.359 6.452 1.00 36.92 C ATOM 1496 H ALA A 161 -1.694 -1.521 8.048 1.00 0.00 H ATOM 1497 N HIS A 162 -5.522 -0.818 6.066 1.00 36.66 N ATOM 1498 CA HIS A 162 -6.374 -1.266 4.982 1.00 39.07 C ATOM 1499 C HIS A 162 -5.983 -0.621 3.693 1.00 40.78 C ATOM 1500 O HIS A 162 -6.076 -1.215 2.660 1.00 44.85 O ATOM 1501 CB HIS A 162 -7.827 -0.992 5.333 1.00 51.33 C ATOM 1502 CG HIS A 162 -8.287 -1.760 6.523 1.00 56.54 C ATOM 1503 ND1 HIS A 162 -8.548 -1.165 7.736 1.00 51.77 N ATOM 1504 CD2 HIS A 162 -8.474 -3.085 6.707 1.00 68.05 C ATOM 1505 CE1 HIS A 162 -8.898 -2.089 8.609 1.00 51.45 C ATOM 1506 NE2 HIS A 162 -8.860 -3.266 8.010 1.00 58.47 N ATOM 1507 H HIS A 162 -5.877 -0.104 6.734 1.00 0.00 H ATOM 1508 N TYR A 163 -5.552 0.626 3.770 1.00 39.06 N ATOM 1509 CA TYR A 163 -5.115 1.398 2.606 1.00 44.47 C ATOM 1510 C TYR A 163 -3.784 2.042 2.920 1.00 44.53 C ATOM 1511 O TYR A 163 -3.599 2.541 4.008 1.00 37.63 O ATOM 1512 CB TYR A 163 -6.116 2.506 2.246 1.00 42.67 C ATOM 1513 CG TYR A 163 -7.476 1.968 1.865 1.00 41.52 C ATOM 1514 CD1 TYR A 163 -7.738 1.547 0.557 1.00 45.45 C ATOM 1515 CD2 TYR A 163 -8.492 1.833 2.850 1.00 39.16 C ATOM 1516 CE1 TYR A 163 -8.982 1.020 0.206 1.00 51.39 C ATOM 1517 CE2 TYR A 163 -9.707 1.333 2.512 1.00 53.96 C ATOM 1518 CZ TYR A 163 -9.940 0.923 1.208 1.00 59.59 C ATOM 1519 OH TYR A 163 -11.156 0.435 0.940 1.00 53.33 O ATOM 1520 HH TYR A 163 -11.324 -0.360 1.506 1.00 0.00 H ATOM 1521 H TYR A 163 -5.522 1.081 4.704 1.00 0.00 H ATOM 1522 N THR A 164 -2.856 2.032 1.965 1.00 46.52 N ATOM 1523 CA THR A 164 -1.628 2.820 2.124 1.00 45.85 C ATOM 1524 C THR A 164 -1.583 3.809 0.985 1.00 45.76 C ATOM 1525 O THR A 164 -1.730 3.403 -0.209 1.00 53.13 O ATOM 1526 CB THR A 164 -0.363 1.948 2.109 1.00 51.10 C ATOM 1527 OG1 THR A 164 -0.329 1.114 3.282 1.00 50.89 O ATOM 1528 CG2 THR A 164 0.879 2.817 2.059 1.00 48.28 C ATOM 1529 HG1 THR A 164 0.488 0.556 3.265 1.00 0.00 H ATOM 1530 H THR A 164 -3.002 1.465 1.105 1.00 0.00 H ATOM 1531 N ILE A 165 -1.408 5.076 1.312 1.00 43.59 N ATOM 1532 CA ILE A 165 -1.208 6.113 0.318 1.00 60.09 C ATOM 1533 C ILE A 165 0.209 6.695 0.452 1.00 50.71 C ATOM 1534 O ILE A 165 0.622 7.188 1.520 1.00 44.16 O ATOM 1535 CB ILE A 165 -2.312 7.228 0.399 1.00 51.82 C ATOM 1536 CG1 ILE A 165 -2.186 8.194 -0.775 1.00 86.56 C ATOM 1537 CG2 ILE A 165 -2.268 7.999 1.651 1.00 51.93 C ATOM 1538 CD1 ILE A 165 -3.489 8.907 -1.105 1.00 83.20 C ATOM 1539 H ILE A 165 -1.414 5.340 2.318 1.00 0.00 H ATOM 1540 N GLU A 166 0.943 6.602 -0.661 1.00 66.26 N ATOM 1541 CA GLU A 166 2.336 7.052 -0.761 1.00 65.64 C ATOM 1542 C GLU A 166 2.346 8.533 -0.957 1.00 61.70 C ATOM 1543 O GLU A 166 2.399 9.005 -2.069 1.00 65.52 O ATOM 1544 CB GLU A 166 3.078 6.347 -1.915 1.00 76.54 C ATOM 1545 CG GLU A 166 3.023 4.781 -1.852 1.00 96.89 C ATOM 1546 CD GLU A 166 4.401 4.082 -1.669 1.00107.37 C ATOM 1547 OE1 GLU A 166 5.373 4.420 -2.390 1.00102.55 O ATOM 1548 OE2 GLU A 166 4.503 3.169 -0.811 1.00 96.94 O ATOM 1549 H GLU A 166 0.501 6.186 -1.506 1.00 0.00 H ATOM 1550 N THR A 167 2.324 9.271 0.147 1.00 51.69 N ATOM 1551 CA THR A 167 2.234 10.742 0.106 1.00 50.44 C ATOM 1552 C THR A 167 3.536 11.527 -0.242 1.00 55.02 C ATOM 1553 O THR A 167 4.619 10.981 -0.454 1.00 56.16 O ATOM 1554 CB THR A 167 1.768 11.290 1.450 1.00 47.43 C ATOM 1555 OG1 THR A 167 2.908 11.645 2.252 1.00 59.72 O ATOM 1556 CG2 THR A 167 0.841 10.257 2.198 1.00 43.32 C ATOM 1557 HG1 THR A 167 2.599 12.000 3.123 1.00 0.00 H ATOM 1558 H THR A 167 2.372 8.796 1.071 1.00 0.00 H ATOM 1559 N ASN A 168 3.432 12.840 -0.200 1.00 56.51 N ATOM 1560 CA ASN A 168 4.490 13.697 -0.694 1.00 62.42 C ATOM 1561 C ASN A 168 4.027 15.094 -0.366 1.00 62.79 C ATOM 1562 O ASN A 168 2.869 15.264 0.026 1.00 62.26 O ATOM 1563 CB ASN A 168 4.708 13.513 -2.191 1.00 86.22 C ATOM 1564 CG ASN A 168 3.417 13.647 -2.980 1.00100.82 C ATOM 1565 OD1 ASN A 168 2.814 14.723 -3.009 1.00 84.97 O ATOM 1566 ND2 ASN A 168 2.982 12.551 -3.624 1.00106.75 N ATOM 1567 HD22 ASN A 168 3.525 11.666 -3.570 1.00 0.00 H ATOM 1568 HD21 ASN A 168 2.102 12.588 -4.177 1.00 0.00 H ATOM 1569 H ASN A 168 2.572 13.270 0.196 1.00 0.00 H ATOM 1570 N GLN A 169 4.910 16.079 -0.513 1.00 70.10 N ATOM 1571 CA GLN A 169 4.579 17.482 -0.238 1.00 66.85 C ATOM 1572 C GLN A 169 3.292 17.900 -0.997 1.00 67.73 C ATOM 1573 O GLN A 169 3.190 17.724 -2.201 1.00 66.65 O ATOM 1574 CB GLN A 169 5.792 18.333 -0.625 1.00 70.03 C ATOM 1575 CG GLN A 169 5.585 19.785 -0.837 1.00 95.00 C ATOM 1576 CD GLN A 169 6.880 20.444 -1.270 1.00 81.74 C ATOM 1577 OE1 GLN A 169 7.953 19.870 -1.084 1.00 78.68 O ATOM 1578 NE2 GLN A 169 6.793 21.642 -1.841 1.00 85.71 N ATOM 1579 HE22 GLN A 169 5.863 22.087 -1.977 1.00 0.00 H ATOM 1580 HE21 GLN A 169 7.655 22.134 -2.152 1.00 0.00 H ATOM 1581 H GLN A 169 5.871 15.846 -0.835 1.00 0.00 H ATOM 1582 N GLY A 170 2.270 18.368 -0.284 1.00 73.62 N ATOM 1583 CA GLY A 170 1.040 18.785 -0.958 1.00 74.87 C ATOM 1584 C GLY A 170 -0.009 19.373 -0.033 1.00 77.08 C ATOM 1585 O GLY A 170 0.190 19.419 1.185 1.00 73.84 O ATOM 1586 H GLY A 170 2.346 18.437 0.751 1.00 0.00 H ATOM 1587 N ALA A 171 -1.117 19.842 -0.595 1.00 66.60 N ATOM 1588 CA ALA A 171 -2.224 20.274 0.235 1.00 66.43 C ATOM 1589 C ALA A 171 -2.746 19.075 1.059 1.00 61.05 C ATOM 1590 O ALA A 171 -3.183 18.086 0.514 1.00 59.63 O ATOM 1591 CB ALA A 171 -3.331 20.846 -0.591 1.00 71.11 C ATOM 1592 H ALA A 171 -1.190 19.899 -1.631 1.00 0.00 H ATOM 1593 N ALA A 172 -2.707 19.189 2.371 1.00 33.05 N ATOM 1594 CA ALA A 172 -3.353 18.157 3.209 1.00 30.78 C ATOM 1595 C ALA A 172 -4.811 17.860 2.749 1.00 30.77 C ATOM 1596 O ALA A 172 -5.257 16.688 2.808 1.00 29.91 O ATOM 1597 CB ALA A 172 -3.338 18.592 4.700 1.00 29.39 C ATOM 1598 H ALA A 172 -2.226 19.998 2.813 1.00 0.00 H ATOM 1599 N ARG A 173 -5.558 18.885 2.300 1.00 32.21 N ATOM 1600 CA ARG A 173 -6.951 18.664 1.920 1.00 32.66 C ATOM 1601 C ARG A 173 -7.027 17.810 0.629 1.00 33.70 C ATOM 1602 O ARG A 173 -7.953 17.000 0.500 1.00 33.23 O ATOM 1603 CB ARG A 173 -7.748 19.970 1.704 1.00 34.95 C ATOM 1604 CG ARG A 173 -9.251 19.771 1.434 1.00 35.88 C ATOM 1605 CD ARG A 173 -10.003 21.107 1.508 1.00 38.77 C ATOM 1606 NE ARG A 173 -11.464 21.027 1.464 1.00 40.22 N ATOM 1607 CZ ARG A 173 -12.265 20.770 2.497 1.00 39.55 C ATOM 1608 NH1 ARG A 173 -11.729 20.483 3.724 1.00 37.23 N ATOM 1609 NH2 ARG A 173 -13.586 20.779 2.298 1.00 41.74 N ATOM 1610 HE ARG A 173 -11.918 21.185 0.542 1.00 0.00 H ATOM 1611 HH12 ARG A 173 -12.354 20.282 4.531 1.00 0.00 H ATOM 1612 HH11 ARG A 173 -10.697 20.466 3.849 1.00 0.00 H ATOM 1613 HH22 ARG A 173 -14.232 20.581 3.088 1.00 0.00 H ATOM 1614 HH21 ARG A 173 -13.968 20.984 1.353 1.00 0.00 H ATOM 1615 H ARG A 173 -5.143 19.836 2.223 1.00 0.00 H ATOM 1616 N ASP A 174 -6.072 17.975 -0.282 1.00 35.54 N ATOM 1617 CA ASP A 174 -6.030 17.121 -1.513 1.00 37.26 C ATOM 1618 C ASP A 174 -5.817 15.624 -1.129 1.00 35.47 C ATOM 1619 O ASP A 174 -6.394 14.728 -1.703 1.00 35.97 O ATOM 1620 CB ASP A 174 -4.897 17.554 -2.406 1.00 40.27 C ATOM 1621 CG ASP A 174 -5.133 18.907 -3.022 1.00 53.65 C ATOM 1622 OD1 ASP A 174 -6.324 19.281 -3.121 1.00 43.74 O ATOM 1623 OD2 ASP A 174 -4.146 19.568 -3.455 1.00 56.52 O ATOM 1624 H ASP A 174 -5.346 18.705 -0.138 1.00 0.00 H ATOM 1625 N LEU A 175 -4.962 15.393 -0.141 1.00 33.90 N ATOM 1626 CA LEU A 175 -4.706 14.030 0.324 1.00 33.04 C ATOM 1627 C LEU A 175 -5.966 13.467 1.034 1.00 31.30 C ATOM 1628 O LEU A 175 -6.358 12.357 0.767 1.00 31.71 O ATOM 1629 CB LEU A 175 -3.454 14.019 1.234 1.00 32.56 C ATOM 1630 CG LEU A 175 -2.922 12.714 1.795 1.00 55.24 C ATOM 1631 CD1 LEU A 175 -2.771 11.663 0.703 1.00 63.45 C ATOM 1632 CD2 LEU A 175 -1.565 12.979 2.483 1.00 64.52 C ATOM 1633 H LEU A 175 -4.468 16.190 0.308 1.00 0.00 H ATOM 1634 N ALA A 176 -6.636 14.261 1.867 1.00 30.04 N ATOM 1635 CA ALA A 176 -7.899 13.873 2.448 1.00 29.32 C ATOM 1636 C ALA A 176 -8.958 13.473 1.413 1.00 30.36 C ATOM 1637 O ALA A 176 -9.643 12.452 1.585 1.00 30.27 O ATOM 1638 CB ALA A 176 -8.452 14.996 3.335 1.00 28.92 C ATOM 1639 H ALA A 176 -6.236 15.191 2.107 1.00 0.00 H ATOM 1640 N GLN A 177 -9.073 14.242 0.346 1.00 31.83 N ATOM 1641 CA GLN A 177 -10.008 13.913 -0.744 1.00 33.40 C ATOM 1642 C GLN A 177 -9.660 12.569 -1.350 1.00 33.94 C ATOM 1643 O GLN A 177 -10.540 11.759 -1.632 1.00 34.32 O ATOM 1644 CB GLN A 177 -9.952 14.952 -1.854 1.00 35.88 C ATOM 1645 CG GLN A 177 -10.286 16.303 -1.338 1.00 41.21 C ATOM 1646 CD GLN A 177 -11.752 16.559 -1.455 1.00 51.40 C ATOM 1647 OE1 GLN A 177 -12.574 15.620 -1.335 1.00 61.27 O ATOM 1648 NE2 GLN A 177 -12.113 17.815 -1.729 1.00 53.17 N ATOM 1649 HE22 GLN A 177 -11.389 18.556 -1.818 1.00 0.00 H ATOM 1650 HE21 GLN A 177 -13.118 18.052 -1.853 1.00 0.00 H ATOM 1651 H GLN A 177 -8.490 15.100 0.273 1.00 0.00 H ATOM 1652 N LYS A 178 -8.366 12.390 -1.577 1.00 34.51 N ATOM 1653 CA LYS A 178 -7.870 11.169 -2.237 1.00 36.50 C ATOM 1654 C LYS A 178 -8.193 9.944 -1.352 1.00 34.93 C ATOM 1655 O LYS A 178 -8.549 8.868 -1.835 1.00 36.23 O ATOM 1656 CB LYS A 178 -6.360 11.255 -2.507 1.00 39.27 C ATOM 1657 CG LYS A 178 -6.022 11.916 -3.857 1.00 83.24 C ATOM 1658 CD LYS A 178 -4.543 12.307 -4.009 1.00 95.80 C ATOM 1659 CE LYS A 178 -4.326 13.287 -5.176 1.00 98.23 C ATOM 1660 NZ LYS A 178 -5.097 14.570 -5.034 1.00 89.95 N ATOM 1661 HZ1 LYS A 178 -6.114 14.359 -4.990 1.00 0.00 H ATOM 1662 HZ2 LYS A 178 -4.804 15.054 -4.162 1.00 0.00 H ATOM 1663 HZ3 LYS A 178 -4.904 15.181 -5.853 1.00 0.00 H ATOM 1664 H LYS A 178 -7.689 13.124 -1.284 1.00 0.00 H ATOM 1665 N ILE A 179 -8.006 10.104 -0.059 1.00 33.09 N ATOM 1666 CA ILE A 179 -8.261 9.011 0.874 1.00 33.38 C ATOM 1667 C ILE A 179 -9.750 8.645 0.848 1.00 32.74 C ATOM 1668 O ILE A 179 -10.114 7.467 0.858 1.00 34.02 O ATOM 1669 CB ILE A 179 -7.844 9.390 2.309 1.00 31.46 C ATOM 1670 CG1 ILE A 179 -6.299 9.412 2.412 1.00 35.34 C ATOM 1671 CG2 ILE A 179 -8.503 8.454 3.334 1.00 31.80 C ATOM 1672 CD1 ILE A 179 -5.797 10.190 3.669 1.00 38.18 C ATOM 1673 H ILE A 179 -7.672 11.020 0.302 1.00 0.00 H ATOM 1674 N LEU A 180 -10.602 9.663 0.864 1.00 31.92 N ATOM 1675 CA LEU A 180 -12.030 9.433 0.840 1.00 32.35 C ATOM 1676 C LEU A 180 -12.449 8.738 -0.486 1.00 33.94 C ATOM 1677 O LEU A 180 -13.280 7.839 -0.487 1.00 34.74 O ATOM 1678 CB LEU A 180 -12.789 10.761 1.016 1.00 39.48 C ATOM 1679 CG LEU A 180 -14.310 10.605 1.054 1.00 49.46 C ATOM 1680 CD1 LEU A 180 -14.690 9.731 2.256 1.00 42.01 C ATOM 1681 CD2 LEU A 180 -14.965 11.990 1.143 1.00 56.48 C ATOM 1682 H LEU A 180 -10.239 10.637 0.894 1.00 0.00 H ATOM 1683 N GLN A 181 -11.882 9.165 -1.600 1.00 34.90 N ATOM 1684 CA GLN A 181 -12.118 8.508 -2.877 1.00 37.05 C ATOM 1685 C GLN A 181 -11.722 7.020 -2.864 1.00 38.12 C ATOM 1686 O GLN A 181 -12.486 6.147 -3.364 1.00 39.54 O ATOM 1687 CB GLN A 181 -11.340 9.194 -4.001 1.00 39.30 C ATOM 1688 CG GLN A 181 -11.895 10.503 -4.387 1.00 56.06 C ATOM 1689 CD GLN A 181 -10.930 11.337 -5.227 1.00 73.35 C ATOM 1690 OE1 GLN A 181 -10.081 10.807 -5.965 1.00 69.70 O ATOM 1691 NE2 GLN A 181 -11.061 12.661 -5.109 1.00 55.48 N ATOM 1692 HE22 GLN A 181 -11.787 13.058 -4.478 1.00 0.00 H ATOM 1693 HE21 GLN A 181 -10.437 13.295 -5.648 1.00 0.00 H ATOM 1694 H GLN A 181 -11.251 9.991 -1.564 1.00 0.00 H ATOM 1695 N LEU A 182 -10.532 6.749 -2.308 1.00 37.95 N ATOM 1696 CA LEU A 182 -10.050 5.373 -2.170 1.00 39.74 C ATOM 1697 C LEU A 182 -11.017 4.514 -1.366 1.00 39.60 C ATOM 1698 O LEU A 182 -11.372 3.416 -1.754 1.00 41.72 O ATOM 1699 CB LEU A 182 -8.715 5.358 -1.478 1.00 39.79 C ATOM 1700 CG LEU A 182 -7.441 5.553 -2.266 1.00 53.20 C ATOM 1701 CD1 LEU A 182 -6.274 5.250 -1.321 1.00 55.85 C ATOM 1702 CD2 LEU A 182 -7.359 4.630 -3.499 1.00 60.05 C ATOM 1703 H LEU A 182 -9.939 7.533 -1.968 1.00 0.00 H ATOM 1704 N ILE A 183 -11.404 5.020 -0.209 1.00 37.65 N ATOM 1705 CA ILE A 183 -12.307 4.291 0.657 1.00 38.17 C ATOM 1706 C ILE A 183 -13.659 4.032 -0.050 1.00 38.92 C ATOM 1707 O ILE A 183 -14.177 2.899 0.003 1.00 43.28 O ATOM 1708 CB ILE A 183 -12.531 5.042 1.991 1.00 36.58 C ATOM 1709 CG1 ILE A 183 -11.202 5.075 2.767 1.00 38.45 C ATOM 1710 CG2 ILE A 183 -13.595 4.336 2.787 1.00 37.99 C ATOM 1711 CD1 ILE A 183 -11.208 5.852 4.064 1.00 35.52 C ATOM 1712 H ILE A 183 -11.055 5.955 0.084 1.00 0.00 H ATOM 1713 N LEU A 184 -14.241 5.036 -0.678 1.00 37.93 N ATOM 1714 CA LEU A 184 -15.570 4.844 -1.242 1.00 39.96 C ATOM 1715 C LEU A 184 -15.568 4.043 -2.544 1.00 47.28 C ATOM 1716 O LEU A 184 -16.589 3.439 -2.920 1.00 46.97 O ATOM 1717 CB LEU A 184 -16.234 6.172 -1.512 1.00 40.02 C ATOM 1718 CG LEU A 184 -16.477 7.014 -0.235 1.00 45.61 C ATOM 1719 CD1 LEU A 184 -16.958 8.405 -0.664 1.00 41.65 C ATOM 1720 CD2 LEU A 184 -17.480 6.393 0.702 1.00 66.21 C ATOM 1721 H LEU A 184 -13.757 5.952 -0.769 1.00 0.00 H ATOM 1722 N SER A 185 -14.400 4.008 -3.184 1.00 42.87 N ATOM 1723 CA SER A 185 -14.234 3.424 -4.484 1.00 52.50 C ATOM 1724 C SER A 185 -14.701 1.973 -4.375 1.00 62.77 C ATOM 1725 O SER A 185 -15.629 1.555 -5.068 1.00 58.21 O ATOM 1726 CB SER A 185 -12.778 3.505 -4.928 1.00 59.99 C ATOM 1727 OG SER A 185 -12.629 2.883 -6.190 1.00 98.21 O ATOM 1728 HG SER A 185 -11.682 2.938 -6.474 1.00 0.00 H ATOM 1729 H SER A 185 -13.568 4.424 -2.719 1.00 0.00 H ATOM 1730 N ASN A 186 -14.034 1.266 -3.460 1.00 81.25 N ATOM 1731 CA ASN A 186 -14.415 -0.050 -2.964 1.00 95.12 C ATOM 1732 C ASN A 186 -15.920 -0.208 -2.780 1.00 77.06 C ATOM 1733 O ASN A 186 -16.583 -0.980 -3.464 1.00 79.45 O ATOM 1734 CB ASN A 186 -13.718 -0.307 -1.607 1.00102.69 C ATOM 1735 CG ASN A 186 -12.538 -1.280 -1.707 1.00107.31 C ATOM 1736 OD1 ASN A 186 -11.804 -1.285 -2.699 1.00107.85 O ATOM 1737 ND2 ASN A 186 -12.355 -2.114 -0.668 1.00104.92 N ATOM 1738 HD22 ASN A 186 -12.998 -2.076 0.149 1.00 0.00 H ATOM 1739 HD21 ASN A 186 -11.571 -2.797 -0.681 1.00 0.00 H ATOM 1740 H ASN A 186 -13.169 1.690 -3.068 1.00 0.00 H ATOM 1741 N LYS A 187 -16.444 0.595 -1.869 1.00 54.15 N ATOM 1742 CA LYS A 187 -17.753 0.387 -1.265 1.00 47.08 C ATOM 1743 C LYS A 187 -19.034 0.771 -2.034 1.00 47.29 C ATOM 1744 O LYS A 187 -20.119 0.250 -1.746 1.00 48.96 O ATOM 1745 CB LYS A 187 -17.745 1.157 0.021 1.00 45.38 C ATOM 1746 CG LYS A 187 -16.804 0.439 1.048 1.00 56.27 C ATOM 1747 CD LYS A 187 -16.493 1.344 2.185 1.00 54.29 C ATOM 1748 CE LYS A 187 -15.627 0.650 3.256 1.00 56.90 C ATOM 1749 NZ LYS A 187 -16.408 -0.185 4.256 1.00 54.13 N ATOM 1750 HZ1 LYS A 187 -17.084 0.423 4.761 1.00 0.00 H ATOM 1751 HZ2 LYS A 187 -16.924 -0.934 3.752 1.00 0.00 H ATOM 1752 HZ3 LYS A 187 -15.749 -0.614 4.937 1.00 0.00 H ATOM 1753 H LYS A 187 -15.890 1.422 -1.567 1.00 0.00 H ATOM 1754 N LEU A 188 -18.917 1.676 -2.990 1.00 46.22 N ATOM 1755 CA LEU A 188 -20.123 2.192 -3.663 1.00 46.88 C ATOM 1756 C LEU A 188 -20.547 1.377 -4.851 1.00 49.36 C ATOM 1757 O LEU A 188 -21.657 1.575 -5.330 1.00 50.55 O ATOM 1758 CB LEU A 188 -19.915 3.630 -4.107 1.00 45.51 C ATOM 1759 CG LEU A 188 -19.689 4.581 -2.941 1.00 43.43 C ATOM 1760 CD1 LEU A 188 -19.646 5.977 -3.484 1.00 43.00 C ATOM 1761 CD2 LEU A 188 -20.782 4.466 -1.881 1.00 58.87 C ATOM 1762 H LEU A 188 -17.977 2.023 -3.267 1.00 0.00 H ATOM 1763 N LYS A 189 -19.688 0.489 -5.343 1.00 55.63 N ATOM 1764 CA LYS A 189 -20.004 -0.223 -6.590 1.00 73.40 C ATOM 1765 C LYS A 189 -21.289 -1.052 -6.438 1.00 70.51 C ATOM 1766 O LYS A 189 -21.936 -1.435 -7.421 1.00 69.65 O ATOM 1767 CB LYS A 189 -18.833 -1.102 -7.029 1.00 80.17 C ATOM 1768 CG LYS A 189 -17.778 -0.319 -7.766 1.00 76.54 C ATOM 1769 CD LYS A 189 -16.404 -0.911 -7.576 1.00 86.01 C ATOM 1770 CE LYS A 189 -15.351 -0.051 -8.239 1.00 88.73 C ATOM 1771 NZ LYS A 189 -13.976 -0.458 -7.856 1.00 99.48 N ATOM 1772 OXT LYS A 189 -21.744 -1.303 -5.313 1.00 66.98 O ATOM 1773 HZ1 LYS A 189 -13.864 -0.371 -6.826 1.00 0.00 H ATOM 1774 HZ2 LYS A 189 -13.816 -1.445 -8.141 1.00 0.00 H ATOM 1775 HZ3 LYS A 189 -13.288 0.158 -8.334 1.00 0.00 H ATOM 1776 H LYS A 189 -18.794 0.298 -4.847 1.00 0.00 H TER 1777 LYS A 189 HETATM 1778 O HOH 1 2.394 12.638 4.006 1.00 44.89 O HETATM 1779 O HOH 2 -12.676 -0.012 2.477 1.00 50.98 O HETATM 1780 O HOH 3 2.742 1.794 -0.829 1.00 54.00 O HETATM 1781 O HOH 4 -3.062 -7.335 9.870 1.00 58.95 O HETATM 1782 O HOH 5 3.525 9.851 36.934 1.00 54.61 O HETATM 1783 O HOH 6 0.753 15.648 -2.404 1.00 60.07 O HETATM 1784 O HOH 7 12.475 7.609 2.515 1.00 54.81 O HETATM 1785 O HOH 8 -3.731 7.673 32.845 1.00 50.26 O HETATM 1786 O HOH 9 2.839 -6.877 11.324 1.00 58.09 O HETATM 1787 O HOH 10 -15.658 23.461 3.838 1.00 40.03 O HETATM 1788 O HOH 11 3.897 17.244 10.674 1.00 44.83 O HETATM 1789 O HOH 12 -10.666 16.854 22.805 1.00 47.06 O HETATM 1790 O HOH 13 10.705 2.997 3.044 1.00 64.78 O HETATM 1791 O HOH 14 11.777 17.936 24.326 1.00 43.15 O HETATM 1792 O HOH 15 -15.675 11.610 20.671 1.00 52.66 O HETATM 1793 O HOH 16 -24.224 6.463 5.663 1.00 42.11 O HETATM 1794 O HOH 17 -10.256 -5.396 18.943 1.00 58.95 O HETATM 1795 O HOH 18 4.566 18.680 17.673 1.00 40.12 O HETATM 1796 O HOH 19 15.755 18.996 22.769 1.00 58.12 O HETATM 1797 O HOH 20 -18.831 12.659 14.743 1.00 40.24 O HETATM 1798 O HOH 21 11.413 -2.313 6.964 1.00 44.06 O HETATM 1799 O HOH 22 16.014 0.264 12.509 1.00 49.41 O HETATM 1800 O HOH 23 10.873 6.626 1.050 1.00 48.83 O HETATM 1801 O HOH 24 -5.803 18.691 30.774 1.00 51.91 O HETATM 1802 O HOH 25 20.406 14.885 8.656 1.00 55.32 O HETATM 1803 O HOH 26 9.688 3.105 20.083 1.00 43.31 O HETATM 1804 O HOH 27 11.231 14.084 27.534 1.00 38.76 O HETATM 1805 O HOH 28 -4.734 7.017 28.970 1.00 46.66 O HETATM 1806 O HOH 29 11.861 -4.215 10.098 1.00 50.06 O HETATM 1807 O HOH 30 -0.786 8.631 20.532 1.00 26.03 O HETATM 1808 O HOH 31 8.228 0.437 2.388 1.00 56.63 O HETATM 1809 O HOH 32 8.911 -4.603 12.826 1.00 49.27 O HETATM 1810 O HOH 33 19.118 17.497 17.059 1.00 61.55 O HETATM 1811 O HOH 34 1.951 6.217 32.612 1.00 36.47 O HETATM 1812 O HOH 35 21.397 3.469 13.639 1.00 69.08 O HETATM 1813 O HOH 36 13.890 12.974 24.484 1.00 51.33 O HETATM 1814 O HOH 37 5.361 13.734 20.610 1.00 28.86 O HETATM 1815 O HOH 38 -0.103 17.042 11.041 1.00 27.05 O HETATM 1816 O HOH 39 12.543 5.831 24.802 1.00 67.54 O HETATM 1817 O HOH 40 -7.690 15.743 19.507 1.00 36.46 O HETATM 1818 O HOH 41 -11.994 -2.872 10.793 1.00 51.72 O HETATM 1819 O HOH 42 -21.823 6.880 13.083 1.00 59.86 O HETATM 1820 O HOH 43 16.724 12.743 4.240 1.00 61.48 O HETATM 1821 O HOH 44 7.756 1.556 22.710 1.00 44.96 O HETATM 1822 O HOH 45 6.258 18.408 13.874 1.00 39.55 O HETATM 1823 O HOH 46 8.553 21.990 8.247 1.00 41.13 O HETATM 1824 O HOH 47 11.782 17.075 16.317 1.00 31.93 O HETATM 1825 O HOH 48 -18.199 17.642 2.496 1.00 52.19 O HETATM 1826 O HOH 49 10.003 7.130 10.822 1.00 29.61 O HETATM 1827 O HOH 50 7.223 8.192 14.276 1.00 27.23 O HETATM 1828 O HOH 51 -18.438 19.568 7.757 1.00 42.92 O HETATM 1829 O HOH 52 2.974 7.008 19.492 1.00 23.22 O HETATM 1830 O HOH 53 0.622 5.673 13.618 1.00 24.17 O HETATM 1831 O HOH 54 7.295 20.609 23.960 1.00 53.24 O HETATM 1832 O HOH 55 8.786 11.424 19.615 1.00 27.62 O HETATM 1833 O HOH 56 13.696 16.119 12.870 1.00 43.30 O HETATM 1834 O HOH 57 14.355 3.134 6.907 1.00 51.95 O HETATM 1835 O HOH 58 -3.289 -4.935 5.901 1.00 49.46 O HETATM 1836 O HOH 59 -9.635 17.897 17.535 1.00 48.02 O HETATM 1837 O HOH 60 -3.548 17.984 17.353 1.00 41.55 O HETATM 1838 O HOH 61 3.081 11.634 14.917 1.00 27.65 O HETATM 1839 O HOH 62 -1.170 11.992 15.954 1.00 41.85 O HETATM 1840 O HOH 63 0.842 2.262 23.267 1.00 25.91 O HETATM 1841 O HOH 64 0.002 21.455 3.498 1.00 72.26 O HETATM 1842 O HOH 65 -19.680 10.883 9.234 1.00 40.96 O HETATM 1843 O HOH 66 5.992 4.372 33.939 1.00 38.81 O HETATM 1844 O HOH 67 9.539 18.334 0.604 1.00 45.42 O HETATM 1845 O HOH 68 0.975 13.574 15.336 1.00 45.32 O HETATM 1846 O HOH 69 0.142 15.484 17.213 1.00 38.44 O HETATM 1847 O HOH 70 17.999 0.985 10.356 1.00 57.07 O HETATM 1848 O HOH 71 14.324 19.593 18.599 1.00 41.06 O HETATM 1849 O HOH 72 -15.743 1.150 17.169 1.00 60.97 O HETATM 1850 O HOH 73 -8.474 16.299 31.404 1.00 68.21 O HETATM 1851 O HOH 74 7.754 6.843 36.772 1.00 65.15 O HETATM 1852 O HOH 75 15.246 18.874 14.209 1.00 51.74 O HETATM 1853 O HOH 76 3.618 20.960 6.965 1.00 34.89 O HETATM 1854 O HOH 77 9.778 1.230 17.225 1.00 41.72 O HETATM 1855 O HOH 78 -14.008 6.628 -5.679 1.00 55.74 O HETATM 1856 O HOH 79 -15.789 2.302 13.491 1.00 39.02 O HETATM 1857 O HOH 80 -1.801 12.768 35.267 1.00 50.82 O HETATM 1858 O HOH 81 12.995 24.618 18.720 1.00 49.10 O HETATM 1859 O HOH 82 3.303 -5.540 21.756 1.00 30.83 O HETATM 1860 O HOH 83 -9.659 2.419 27.813 1.00 42.17 O HETATM 1861 O HOH 84 7.702 -3.178 5.150 1.00 53.95 O HETATM 1862 O HOH 85 3.960 -5.605 6.408 1.00 46.40 O HETATM 1863 O HOH 86 0.677 18.475 6.282 1.00 42.43 O HETATM 1864 O HOH 87 14.148 10.329 32.753 1.00 59.93 O HETATM 1865 O HOH 88 3.703 14.238 18.580 1.00 36.10 O HETATM 1866 O HOH 89 -6.310 -5.350 21.416 1.00 53.92 O HETATM 1867 O HOH 90 15.481 8.462 20.550 1.00 51.15 O HETATM 1868 O HOH 91 8.134 5.933 12.639 1.00 31.66 O HETATM 1869 O HOH 92 -0.607 -7.358 14.626 1.00 55.36 O HETATM 1870 O HOH 93 14.871 16.898 4.936 1.00 45.13 O HETATM 1871 O HOH 94 -18.072 0.678 20.631 1.00 74.71 O HETATM 1872 O HOH 95 6.372 6.416 6.207 1.00 30.61 O HETATM 1873 O HOH 96 21.457 10.590 17.414 1.00 57.47 O HETATM 1874 O HOH 97 14.463 16.996 16.335 1.00 44.94 O HETATM 1875 O HOH 98 2.667 19.830 24.328 1.00 54.04 O HETATM 1876 O HOH 99 3.939 18.717 31.435 1.00 45.32 O HETATM 1877 O HOH 100 -1.402 16.501 -1.223 1.00 52.72 O HETATM 1878 O HOH 101 -5.883 20.809 8.477 1.00 39.23 O HETATM 1879 O HOH 102 14.923 4.973 4.734 1.00 69.39 O HETATM 1880 O HOH 103 19.688 14.583 10.989 1.00 53.13 O HETATM 1881 O HOH 104 -10.609 -3.697 25.213 1.00 56.21 O HETATM 1882 O HOH 105 7.164 -2.941 17.831 1.00 41.78 O HETATM 1883 O HOH 106 -5.719 -9.200 9.699 1.00 53.04 O HETATM 1884 O HOH 107 7.054 -4.366 20.155 1.00 53.56 O HETATM 1885 O HOH 108 -12.110 14.545 30.406 1.00 73.41 O HETATM 1886 O HOH 109 10.557 3.134 29.418 1.00 44.91 O HETATM 1887 O HOH 110 1.166 21.911 6.063 1.00 46.06 O HETATM 1888 O HOH 111 4.354 -6.570 19.304 1.00 57.45 O HETATM 1889 O HOH 112 12.272 5.621 28.170 1.00 48.49 O HETATM 1890 O HOH 113 5.697 -5.358 17.525 1.00 43.16 O HETATM 1891 O HOH 114 -17.896 22.303 7.839 1.00 66.16 O HETATM 1892 O HOH 115 -3.635 9.125 30.390 1.00 53.72 O HETATM 1893 O HOH 116 15.534 21.700 18.642 1.00 52.00 O HETATM 1894 O HOH 117 -0.605 5.887 -3.398 1.00 47.92 O HETATM 1895 O HOH 118 -3.307 20.309 12.688 1.00 57.89 O HETATM 1896 O HOH 119 -19.268 8.177 20.454 1.00 58.44 O HETATM 1897 O HOH 120 5.119 21.367 10.832 1.00 42.88 O HETATM 1898 O HOH 121 -2.248 -7.695 6.867 1.00 58.41 O HETATM 1899 O HOH 122 -13.470 21.568 -1.102 1.00 52.75 O HETATM 1900 O HOH 123 12.209 3.834 19.770 1.00 57.88 O HETATM 1901 O HOH 124 18.703 21.542 14.222 1.00 60.33 O HETATM 1902 O HOH 125 -20.847 12.840 12.843 1.00 65.63 O HETATM 1903 O HOH 126 -12.627 -4.959 1.200 1.00 54.38 O HETATM 1904 O HOH 127 -9.502 -2.729 1.158 1.00 56.17 O HETATM 1905 O HOH 128 -2.941 4.624 -3.211 1.00 66.49 O HETATM 1906 O HOH 129 8.035 2.710 -0.986 1.00 60.47 O HETATM 1907 O HOH 130 -12.786 -5.014 18.976 1.00 54.80 O HETATM 1908 O HOH 131 -6.077 18.305 18.182 1.00 41.82 O HETATM 1909 O HOH 132 -7.643 -8.494 12.554 1.00 54.95 O HETATM 1910 O HOH 133 -13.156 17.448 30.429 1.00 63.95 O HETATM 1911 O HOH 134 -7.600 0.000 28.180 1.00 40.43 O HETATM 1912 O HOH 135 18.446 17.416 21.008 1.00 57.21 O HETATM 1913 O HOH 136 22.092 10.857 20.551 1.00 58.91 O HETATM 1914 O HOH 137 -6.105 -8.529 6.267 1.00 49.66 O HETATM 1915 O HOH 138 2.146 20.956 21.771 1.00 61.17 O HETATM 1916 O HOH 139 1.397 -6.118 4.962 1.00 55.71 O HETATM 1917 O HOH 140 22.394 2.138 9.124 1.00 68.41 O HETATM 1918 O HOH 141 23.274 3.279 11.354 1.00 69.18 O HETATM 1919 O HOH 142 2.672 19.130 8.528 1.00 52.45 O HETATM 1920 O HOH 143 17.012 14.950 4.134 1.00 53.73 O HETATM 1921 O HOH 144 18.412 2.062 8.062 1.00 65.03 O HETATM 1922 O HOH 145 6.182 -7.098 15.705 1.00 51.93 O HETATM 1923 O HOH 146 -21.501 10.995 10.849 1.00 48.55 O HETATM 1924 O HOH 147 -15.844 -1.080 19.698 1.00 61.65 O HETATM 1925 O HOH 148 1.325 19.452 10.607 1.00 42.67 O HETATM 1926 O HOH 149 -11.869 -1.437 4.997 1.00 44.86 O HETATM 1927 O HOH 150 12.058 15.227 25.221 1.00 42.00 O HETATM 1928 O HOH 151 0.154 21.269 11.955 1.00 47.03 O HETATM 1929 O HOH 152 12.693 1.822 17.687 1.00 48.03 O HETATM 1930 O HOH 153 5.386 -5.099 4.632 1.00 58.00 O HETATM 1931 O HOH 154 8.583 -4.509 16.009 1.00 55.10 O HETATM 1932 O HOH 155 9.118 -1.229 18.318 1.00 40.91 O HETATM 1933 O HOH 156 -8.621 -11.515 12.620 1.00 54.27 O HETATM 1934 O HOH 157 -8.708 -5.999 24.455 1.00 41.36 O HETATM 1935 O HOH 158 -17.211 -3.878 17.933 1.00 61.21 O HETATM 1936 O HOH 159 -9.374 -11.272 9.201 1.00 49.35 O HETATM 1937 O HOH 160 11.536 -2.682 18.385 1.00 56.66 O HETATM 1938 O12 SKM A 161 3.052 9.683 20.041 1.00 -0.39 O HETATM 1939 C8 SKM A 161 4.130 10.626 20.037 1.00 0.11 C HETATM 1940 C6 SKM A 161 5.251 10.241 20.792 1.00 0.09 C HETATM 1941 O7 SKM A 161 6.287 11.257 20.739 1.00 -0.39 O HETATM 1942 H4 SKM A 161 5.948 12.072 21.090 1.00 0.21 H HETATM 1943 C5 SKM A 161 5.942 8.887 20.288 1.00 -0.01 C HETATM 1944 C4 SKM A 161 6.008 8.723 18.798 1.00 0.02 C HETATM 1945 C1 SKM A 161 6.712 7.611 18.158 1.00 0.04 C HETATM 1946 O2 SKM A 161 6.857 6.555 18.857 1.00 -0.57 O HETATM 1947 O3 SKM A 161 7.090 7.687 16.938 1.00 -0.57 O HETATM 1948 C10 SKM A 161 5.341 9.761 17.906 1.00 -0.01 C HETATM 1949 C9 SKM A 161 4.580 10.841 18.424 1.00 0.09 C HETATM 1950 O11 SKM A 161 3.380 11.002 17.602 1.00 -0.39 O HETATM 1951 H11 SKM A 161 2.861 11.723 17.939 1.00 0.21 H HETATM 1952 H10 SKM A 161 5.188 11.755 18.357 1.00 0.06 H HETATM 1953 H8 SKM A 161 4.665 9.203 17.242 1.00 0.03 H HETATM 1954 H9 SKM A 161 6.147 10.214 17.311 1.00 0.03 H HETATM 1955 H7 SKM A 161 5.084 8.127 18.823 1.00 0.05 H HETATM 1956 H5 SKM A 161 5.373 8.040 20.699 1.00 0.03 H HETATM 1957 H6 SKM A 161 6.970 8.863 20.679 1.00 0.03 H HETATM 1958 H3 SKM A 161 4.924 10.106 21.834 1.00 0.06 H HETATM 1959 H2 SKM A 161 3.760 11.579 20.444 1.00 0.06 H HETATM 1960 H1 SKM A 161 2.338 10.017 19.511 1.00 0.21 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1938 1939 1960 CONECT 1939 1938 1940 1949 1959 CONECT 1940 1939 1941 1943 1958 CONECT 1941 1940 1942 CONECT 1942 1941 CONECT 1943 1940 1944 1956 1957 CONECT 1944 1943 1945 1948 1955 CONECT 1945 1944 1946 1947 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1944 1949 1953 1954 CONECT 1949 1939 1948 1950 1952 CONECT 1950 1949 1951 CONECT 1951 1950 CONECT 1952 1949 CONECT 1953 1948 CONECT 1954 1948 CONECT 1955 1944 CONECT 1956 1943 CONECT 1957 1943 CONECT 1958 1940 CONECT 1959 1939 CONECT 1960 1938 MASTER 0 0 0 0 0 0 0 0 1959 1 26 14 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4y0a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2aa9
RCSB PDB
PDBbind
SKM
2aay
RCSB PDB
PDBbind
SKM
4guj
RCSB PDB
PDBbind
SKM
Entry Information
PDB ID
4y0a
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Shikimate kinase from Acinetobacter baumannii
Ligand Name
SKM
EC.Number
E.C.2.7.1.71
Resolution
1.91(Å)
Affinity (Kd/Ki/IC50)
Ki=4950uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acta Crystallogr.Sect.D Vol. 71: pp. 1736-1744
Ligand Properties
Formula
C
7
H
1
2
O
5
Molecular Weight
176.167
Exact Mass
176.068
No. of atoms
24
No. of bonds
24
Polar Surface Area
97.99
LOGP Value
-0.41 (
Computed with XLOGP3
)
-1.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
OC(=O)[C@@H]1C[C@@H](O)[C@H]([C@@H](C1)O)O
InChI String
InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4-,5-,6-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A0M3KL09
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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