Browse entries in the PDBbind-CN Database
HEADER 6POH_COMPLEX COMPND 6POH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 188 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 188 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 188 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 188 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 188 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 188 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 188 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 188 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 188 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 188 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 188 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 188 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 188 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 188 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 188 LYS TYR LEU SER GLU LYS HET OVG A 458 33 SSBOND 1 CYS A 30 CYS A 33 ATOM 1 N ALA A 1 22.804 -17.195 -19.331 1.00 36.57 N ATOM 2 CA ALA A 1 23.736 -17.972 -18.522 1.00 32.87 C ATOM 3 C ALA A 1 23.176 -18.213 -17.122 1.00 36.39 C ATOM 4 O ALA A 1 22.300 -17.481 -16.655 1.00 39.40 O ATOM 5 CB ALA A 1 25.078 -17.267 -18.441 1.00 34.50 C ATOM 6 HN3 ALA A 1 22.635 -16.275 -18.876 1.00 0.00 H ATOM 7 HN2 ALA A 1 21.905 -17.712 -19.415 1.00 0.00 H ATOM 8 HN1 ALA A 1 23.209 -17.046 -20.277 1.00 0.00 H ATOM 9 N GLN A 2 23.693 -19.246 -16.453 1.00 28.20 N ATOM 10 CA GLN A 2 23.276 -19.527 -15.082 1.00 24.36 C ATOM 11 C GLN A 2 23.647 -18.386 -14.138 1.00 24.08 C ATOM 12 O GLN A 2 22.848 -17.999 -13.275 1.00 27.58 O ATOM 13 CB GLN A 2 23.895 -20.843 -14.615 1.00 22.38 C ATOM 14 CG GLN A 2 23.354 -22.073 -15.361 1.00 25.95 C ATOM 15 CD GLN A 2 21.963 -22.494 -14.885 1.00 25.17 C ATOM 16 OE1 GLN A 2 21.431 -21.948 -13.910 1.00 29.42 O ATOM 17 NE2 GLN A 2 21.374 -23.469 -15.567 1.00 23.21 N ATOM 18 HE22 GLN A 2 21.858 -23.900 -16.381 1.00 0.00 H ATOM 19 HE21 GLN A 2 20.429 -23.802 -15.288 1.00 0.00 H ATOM 20 H GLN A 2 24.399 -19.856 -16.912 1.00 0.00 H ATOM 21 N TYR A 3 24.857 -17.848 -14.269 1.00 23.96 N ATOM 22 CA TYR A 3 25.255 -16.636 -13.568 1.00 24.01 C ATOM 23 C TYR A 3 25.149 -15.470 -14.539 1.00 28.27 C ATOM 24 O TYR A 3 25.716 -15.519 -15.634 1.00 29.85 O ATOM 25 CB TYR A 3 26.678 -16.752 -13.037 1.00 22.34 C ATOM 26 CG TYR A 3 26.822 -17.761 -11.926 1.00 20.06 C ATOM 27 CD1 TYR A 3 26.510 -17.426 -10.611 1.00 21.70 C ATOM 28 CD2 TYR A 3 27.286 -19.050 -12.192 1.00 19.23 C ATOM 29 CE1 TYR A 3 26.648 -18.349 -9.590 1.00 19.41 C ATOM 30 CE2 TYR A 3 27.428 -19.980 -11.169 1.00 19.29 C ATOM 31 CZ TYR A 3 27.109 -19.620 -9.879 1.00 23.53 C ATOM 32 OH TYR A 3 27.243 -20.542 -8.867 1.00 23.91 O ATOM 33 HH TYR A 3 26.975 -20.129 -8.008 1.00 0.00 H ATOM 34 H TYR A 3 25.545 -18.311 -14.896 1.00 0.00 H ATOM 35 N GLU A 4 24.404 -14.441 -14.145 1.00 28.48 N ATOM 36 CA GLU A 4 24.149 -13.283 -14.987 1.00 33.46 C ATOM 37 C GLU A 4 24.557 -12.011 -14.263 1.00 31.33 C ATOM 38 O GLU A 4 24.373 -11.885 -13.048 1.00 29.63 O ATOM 39 CB GLU A 4 22.670 -13.175 -15.374 1.00 39.68 C ATOM 40 CG GLU A 4 22.063 -14.428 -15.961 1.00 45.89 C ATOM 41 CD GLU A 4 20.733 -14.150 -16.633 1.00 51.08 C ATOM 42 OE1 GLU A 4 20.701 -13.314 -17.561 1.00 54.10 O ATOM 43 OE2 GLU A 4 19.721 -14.758 -16.226 1.00 51.11 O ATOM 44 H GLU A 4 23.986 -14.466 -13.193 1.00 0.00 H ATOM 45 N ASP A 5 25.105 -11.070 -15.020 1.00 33.33 N ATOM 46 CA ASP A 5 25.295 -9.726 -14.508 1.00 35.81 C ATOM 47 C ASP A 5 23.928 -9.105 -14.237 1.00 40.56 C ATOM 48 O ASP A 5 23.036 -9.149 -15.091 1.00 36.67 O ATOM 49 CB ASP A 5 26.078 -8.903 -15.523 1.00 38.01 C ATOM 50 CG ASP A 5 26.711 -7.675 -14.915 1.00 50.74 C ATOM 51 OD1 ASP A 5 26.056 -6.989 -14.101 1.00 53.27 O ATOM 52 OD2 ASP A 5 27.877 -7.400 -15.259 1.00 58.66 O ATOM 53 H ASP A 5 25.402 -11.298 -15.990 1.00 0.00 H ATOM 54 N GLY A 6 23.754 -8.559 -13.032 1.00 35.20 N ATOM 55 CA GLY A 6 22.483 -8.026 -12.596 1.00 33.24 C ATOM 56 C GLY A 6 21.657 -8.976 -11.751 1.00 40.93 C ATOM 57 O GLY A 6 20.685 -8.534 -11.124 1.00 43.75 O ATOM 58 H GLY A 6 24.564 -8.515 -12.381 1.00 0.00 H ATOM 59 N LYS A 7 22.019 -10.259 -11.714 1.00 29.29 N ATOM 60 CA LYS A 7 21.316 -11.258 -10.916 1.00 34.75 C ATOM 61 C LYS A 7 22.096 -11.569 -9.642 1.00 29.44 C ATOM 62 O LYS A 7 21.797 -11.019 -8.577 1.00 33.51 O ATOM 63 CB LYS A 7 21.082 -12.534 -11.732 1.00 32.80 C ATOM 64 H LYS A 7 22.838 -10.561 -12.279 1.00 0.00 H ATOM 65 N GLN A 8 23.107 -12.434 -9.733 1.00 26.51 N ATOM 66 CA GLN A 8 23.900 -12.755 -8.552 1.00 23.02 C ATOM 67 C GLN A 8 25.033 -11.773 -8.310 1.00 22.30 C ATOM 68 O GLN A 8 25.602 -11.764 -7.211 1.00 21.44 O ATOM 69 CB GLN A 8 24.492 -14.164 -8.656 1.00 20.97 C ATOM 70 CG GLN A 8 23.471 -15.272 -8.876 1.00 28.34 C ATOM 71 CD GLN A 8 23.313 -15.626 -10.340 1.00 31.81 C ATOM 72 OE1 GLN A 8 23.470 -14.776 -11.217 1.00 28.66 O ATOM 73 NE2 GLN A 8 23.007 -16.895 -10.613 1.00 31.58 N ATOM 74 HE22 GLN A 8 22.884 -17.578 -9.839 1.00 0.00 H ATOM 75 HE21 GLN A 8 22.891 -17.201 -11.600 1.00 0.00 H ATOM 76 H GLN A 8 23.330 -12.879 -10.646 1.00 0.00 H ATOM 77 N TYR A 9 25.372 -10.954 -9.299 1.00 26.96 N ATOM 78 CA TYR A 9 26.471 -10.010 -9.166 1.00 26.60 C ATOM 79 C TYR A 9 26.272 -8.886 -10.166 1.00 29.70 C ATOM 80 O TYR A 9 25.509 -9.008 -11.130 1.00 30.68 O ATOM 81 CB TYR A 9 27.830 -10.679 -9.397 1.00 23.69 C ATOM 82 CG TYR A 9 28.054 -11.071 -10.846 1.00 24.98 C ATOM 83 CD1 TYR A 9 27.538 -12.256 -11.351 1.00 30.56 C ATOM 84 CD2 TYR A 9 28.763 -10.246 -11.708 1.00 25.57 C ATOM 85 CE1 TYR A 9 27.722 -12.608 -12.674 1.00 29.01 C ATOM 86 CE2 TYR A 9 28.950 -10.587 -13.033 1.00 30.64 C ATOM 87 CZ TYR A 9 28.433 -11.777 -13.510 1.00 34.31 C ATOM 88 OH TYR A 9 28.622 -12.115 -14.832 1.00 36.92 O ATOM 89 HH TYR A 9 28.194 -12.989 -15.012 1.00 0.00 H ATOM 90 H TYR A 9 24.838 -10.988 -10.191 1.00 0.00 H ATOM 91 N THR A 10 26.970 -7.786 -9.920 1.00 32.56 N ATOM 92 CA THR A 10 27.061 -6.688 -10.863 1.00 31.11 C ATOM 93 C THR A 10 28.533 -6.432 -11.164 1.00 28.99 C ATOM 94 O THR A 10 29.421 -6.916 -10.459 1.00 28.28 O ATOM 95 CB THR A 10 26.379 -5.426 -10.314 1.00 30.64 C ATOM 96 OG1 THR A 10 26.949 -5.092 -9.045 1.00 30.17 O ATOM 97 CG2 THR A 10 24.894 -5.678 -10.129 1.00 30.17 C ATOM 98 HG1 THR A 10 26.812 -5.843 -8.415 1.00 0.00 H ATOM 99 H THR A 10 27.473 -7.707 -9.013 1.00 0.00 H ATOM 100 N THR A 11 28.794 -5.688 -12.233 1.00 34.92 N ATOM 101 CA THR A 11 30.156 -5.435 -12.689 1.00 37.00 C ATOM 102 C THR A 11 30.450 -3.948 -12.557 1.00 36.35 C ATOM 103 O THR A 11 29.647 -3.115 -12.986 1.00 40.54 O ATOM 104 CB THR A 11 30.353 -5.897 -14.140 1.00 41.26 C ATOM 105 OG1 THR A 11 29.970 -7.274 -14.259 1.00 37.31 O ATOM 106 CG2 THR A 11 31.804 -5.760 -14.560 1.00 39.26 C ATOM 107 HG1 THR A 11 29.018 -7.374 -14.007 1.00 0.00 H ATOM 108 H THR A 11 28.001 -5.272 -12.762 1.00 0.00 H ATOM 109 N LEU A 12 31.585 -3.622 -11.946 1.00 36.52 N ATOM 110 CA LEU A 12 31.937 -2.225 -11.732 1.00 40.57 C ATOM 111 C LEU A 12 32.244 -1.546 -13.056 1.00 43.01 C ATOM 112 O LEU A 12 32.945 -2.105 -13.904 1.00 44.06 O ATOM 113 CB LEU A 12 33.144 -2.112 -10.806 1.00 36.03 C ATOM 114 CG LEU A 12 32.873 -2.438 -9.341 1.00 37.28 C ATOM 115 CD1 LEU A 12 34.180 -2.535 -8.592 1.00 34.49 C ATOM 116 CD2 LEU A 12 31.967 -1.382 -8.730 1.00 46.09 C ATOM 117 H LEU A 12 32.227 -4.371 -11.618 1.00 0.00 H ATOM 118 N GLU A 13 31.712 -0.330 -13.227 1.00 46.75 N ATOM 119 CA GLU A 13 32.029 0.451 -14.419 1.00 50.01 C ATOM 120 C GLU A 13 33.518 0.746 -14.496 1.00 44.22 C ATOM 121 O GLU A 13 34.116 0.691 -15.574 1.00 50.27 O ATOM 122 CB GLU A 13 31.237 1.759 -14.435 1.00 58.77 C ATOM 123 CG GLU A 13 29.730 1.605 -14.401 1.00 69.25 C ATOM 124 CD GLU A 13 29.028 2.918 -14.107 1.00 80.09 C ATOM 125 OE1 GLU A 13 27.951 2.889 -13.475 1.00 83.16 O ATOM 126 OE2 GLU A 13 29.551 3.979 -14.514 1.00 83.58 O ATOM 127 H GLU A 13 31.070 0.060 -12.508 1.00 0.00 H ATOM 128 N LYS A 14 34.136 1.066 -13.365 1.00 39.53 N ATOM 129 CA LYS A 14 35.575 1.319 -13.322 1.00 48.07 C ATOM 130 C LYS A 14 36.212 0.303 -12.392 1.00 41.86 C ATOM 131 O LYS A 14 36.138 0.453 -11.159 1.00 46.25 O ATOM 132 CB LYS A 14 35.875 2.747 -12.868 1.00 52.09 C ATOM 133 CG LYS A 14 35.113 3.814 -13.644 1.00 53.32 C ATOM 134 H LYS A 14 33.582 1.138 -12.488 1.00 0.00 H ATOM 135 N PRO A 15 36.813 -0.759 -12.923 1.00 42.79 N ATOM 136 CA PRO A 15 37.469 -1.745 -12.059 1.00 43.34 C ATOM 137 C PRO A 15 38.662 -1.149 -11.336 1.00 43.80 C ATOM 138 O PRO A 15 39.308 -0.210 -11.810 1.00 44.12 O ATOM 139 CB PRO A 15 37.903 -2.847 -13.034 1.00 49.80 C ATOM 140 CG PRO A 15 37.935 -2.189 -14.363 1.00 50.57 C ATOM 141 CD PRO A 15 36.851 -1.152 -14.339 1.00 47.52 C ATOM 142 N VAL A 16 38.954 -1.727 -10.176 1.00 42.16 N ATOM 143 CA VAL A 16 39.983 -1.232 -9.270 1.00 44.79 C ATOM 144 C VAL A 16 41.192 -2.148 -9.374 1.00 46.25 C ATOM 145 O VAL A 16 41.131 -3.320 -8.984 1.00 48.50 O ATOM 146 CB VAL A 16 39.471 -1.167 -7.822 1.00 38.89 C ATOM 147 CG1 VAL A 16 40.458 -0.403 -6.953 1.00 42.42 C ATOM 148 CG2 VAL A 16 38.078 -0.541 -7.766 1.00 40.07 C ATOM 149 H VAL A 16 38.421 -2.576 -9.900 1.00 0.00 H ATOM 150 N ALA A 17 42.294 -1.614 -9.894 1.00 51.57 N ATOM 151 CA ALA A 17 43.522 -2.382 -10.009 1.00 48.22 C ATOM 152 C ALA A 17 44.190 -2.540 -8.649 1.00 47.82 C ATOM 153 O ALA A 17 44.148 -1.641 -7.803 1.00 49.99 O ATOM 154 CB ALA A 17 44.485 -1.706 -10.983 1.00 50.11 C ATOM 155 H ALA A 17 42.276 -0.628 -10.224 1.00 0.00 H ATOM 156 N GLY A 18 44.813 -3.698 -8.443 1.00 48.90 N ATOM 157 CA GLY A 18 45.520 -3.942 -7.202 1.00 46.34 C ATOM 158 C GLY A 18 44.634 -4.088 -5.991 1.00 60.14 C ATOM 159 O GLY A 18 45.117 -3.976 -4.862 1.00 69.54 O ATOM 160 H GLY A 18 44.792 -4.433 -9.178 1.00 0.00 H ATOM 161 N ALA A 19 43.348 -4.334 -6.193 1.00 57.23 N ATOM 162 CA ALA A 19 42.426 -4.509 -5.089 1.00 52.47 C ATOM 163 C ALA A 19 42.605 -5.886 -4.459 1.00 42.78 C ATOM 164 O ALA A 19 43.139 -6.804 -5.086 1.00 46.02 O ATOM 165 CB ALA A 19 40.990 -4.330 -5.575 1.00 50.77 C ATOM 166 H ALA A 19 42.992 -4.403 -7.168 1.00 0.00 H ATOM 167 N PRO A 20 42.181 -6.050 -3.207 1.00 43.74 N ATOM 168 CA PRO A 20 42.173 -7.388 -2.609 1.00 37.97 C ATOM 169 C PRO A 20 41.297 -8.340 -3.417 1.00 37.24 C ATOM 170 O PRO A 20 40.306 -7.936 -4.032 1.00 43.94 O ATOM 171 CB PRO A 20 41.600 -7.143 -1.209 1.00 33.85 C ATOM 172 CG PRO A 20 41.900 -5.720 -0.923 1.00 41.46 C ATOM 173 CD PRO A 20 41.787 -5.012 -2.239 1.00 44.73 C ATOM 174 N GLN A 21 41.681 -9.622 -3.415 1.00 27.37 N ATOM 175 CA GLN A 21 40.963 -10.625 -4.198 1.00 31.16 C ATOM 176 C GLN A 21 39.526 -10.783 -3.708 1.00 30.10 C ATOM 177 O GLN A 21 38.588 -10.838 -4.508 1.00 27.30 O ATOM 178 CB GLN A 21 41.695 -11.963 -4.134 1.00 34.09 C ATOM 179 H GLN A 21 42.504 -9.909 -2.847 1.00 0.00 H ATOM 180 N VAL A 22 39.336 -10.887 -2.398 1.00 27.62 N ATOM 181 CA VAL A 22 38.005 -10.882 -1.800 1.00 18.99 C ATOM 182 C VAL A 22 37.991 -9.776 -0.758 1.00 20.71 C ATOM 183 O VAL A 22 38.750 -9.824 0.219 1.00 23.19 O ATOM 184 CB VAL A 22 37.637 -12.237 -1.180 1.00 27.07 C ATOM 185 CG1 VAL A 22 36.320 -12.133 -0.404 1.00 24.39 C ATOM 186 CG2 VAL A 22 37.533 -13.291 -2.271 1.00 30.55 C ATOM 187 H VAL A 22 40.165 -10.975 -1.776 1.00 0.00 H ATOM 188 N LEU A 23 37.126 -8.785 -0.964 1.00 16.50 N ATOM 189 CA LEU A 23 37.091 -7.594 -0.123 1.00 17.72 C ATOM 190 C LEU A 23 35.674 -7.374 0.374 1.00 18.20 C ATOM 191 O LEU A 23 34.754 -7.171 -0.425 1.00 19.27 O ATOM 192 CB LEU A 23 37.583 -6.379 -0.907 1.00 19.52 C ATOM 193 CG LEU A 23 37.563 -5.039 -0.180 1.00 25.63 C ATOM 194 CD1 LEU A 23 38.441 -5.086 1.065 1.00 31.86 C ATOM 195 CD2 LEU A 23 38.030 -3.959 -1.148 1.00 26.38 C ATOM 196 H LEU A 23 36.452 -8.863 -1.752 1.00 0.00 H ATOM 197 N GLU A 24 35.499 -7.427 1.688 1.00 14.75 N ATOM 198 CA GLU A 24 34.205 -7.242 2.317 1.00 14.70 C ATOM 199 C GLU A 24 34.200 -5.917 3.060 1.00 16.56 C ATOM 200 O GLU A 24 35.214 -5.518 3.649 1.00 18.62 O ATOM 201 CB GLU A 24 33.890 -8.368 3.295 1.00 17.40 C ATOM 202 CG GLU A 24 33.545 -9.677 2.611 1.00 14.09 C ATOM 203 CD GLU A 24 33.174 -10.753 3.616 1.00 20.10 C ATOM 204 OE1 GLU A 24 34.079 -11.257 4.310 1.00 22.03 O ATOM 205 OE2 GLU A 24 31.974 -11.096 3.720 1.00 22.09 O ATOM 206 H GLU A 24 36.325 -7.609 2.293 1.00 0.00 H ATOM 207 N PHE A 25 33.061 -5.232 3.008 1.00 13.95 N ATOM 208 CA PHE A 25 32.837 -4.009 3.770 1.00 14.44 C ATOM 209 C PHE A 25 31.633 -4.209 4.676 1.00 13.13 C ATOM 210 O PHE A 25 30.630 -4.814 4.275 1.00 14.05 O ATOM 211 CB PHE A 25 32.566 -2.809 2.857 1.00 14.28 C ATOM 212 CG PHE A 25 33.751 -2.354 2.063 1.00 15.16 C ATOM 213 CD1 PHE A 25 34.679 -1.504 2.613 1.00 15.46 C ATOM 214 CD2 PHE A 25 33.919 -2.773 0.744 1.00 17.93 C ATOM 215 CE1 PHE A 25 35.776 -1.060 1.857 1.00 16.51 C ATOM 216 CE2 PHE A 25 34.993 -2.344 -0.003 1.00 18.27 C ATOM 217 CZ PHE A 25 35.924 -1.490 0.554 1.00 17.80 C ATOM 218 H PHE A 25 32.297 -5.584 2.397 1.00 0.00 H ATOM 219 N PHE A 26 31.723 -3.683 5.894 1.00 12.54 N ATOM 220 CA PHE A 26 30.631 -3.829 6.850 1.00 12.19 C ATOM 221 C PHE A 26 30.610 -2.625 7.779 1.00 15.02 C ATOM 222 O PHE A 26 31.547 -1.821 7.812 1.00 13.83 O ATOM 223 CB PHE A 26 30.766 -5.128 7.671 1.00 12.12 C ATOM 224 CG PHE A 26 31.769 -5.037 8.791 1.00 12.33 C ATOM 225 CD1 PHE A 26 33.144 -5.028 8.520 1.00 11.76 C ATOM 226 CD2 PHE A 26 31.343 -4.954 10.116 1.00 13.48 C ATOM 227 CE1 PHE A 26 34.085 -4.930 9.557 1.00 12.49 C ATOM 228 CE2 PHE A 26 32.272 -4.865 11.173 1.00 12.35 C ATOM 229 CZ PHE A 26 33.640 -4.853 10.901 1.00 13.03 C ATOM 230 H PHE A 26 32.581 -3.162 6.168 1.00 0.00 H ATOM 231 N SER A 27 29.522 -2.516 8.547 1.00 13.53 N ATOM 232 CA SER A 27 29.440 -1.574 9.660 1.00 12.51 C ATOM 233 C SER A 27 28.873 -2.312 10.864 1.00 12.31 C ATOM 234 O SER A 27 27.974 -3.149 10.721 1.00 13.00 O ATOM 235 CB SER A 27 28.538 -0.376 9.349 1.00 13.38 C ATOM 236 OG SER A 27 28.338 0.435 10.516 1.00 16.23 O ATOM 237 HG SER A 27 29.212 0.770 10.837 1.00 0.00 H ATOM 238 H SER A 27 28.703 -3.125 8.345 1.00 0.00 H ATOM 239 N PHE A 28 29.379 -1.986 12.050 1.00 12.67 N ATOM 240 CA PHE A 28 28.764 -2.559 13.242 1.00 13.98 C ATOM 241 C PHE A 28 27.362 -2.019 13.489 1.00 14.68 C ATOM 242 O PHE A 28 26.658 -2.581 14.336 1.00 14.62 O ATOM 243 CB PHE A 28 29.648 -2.333 14.478 1.00 12.74 C ATOM 244 CG PHE A 28 30.897 -3.193 14.489 1.00 12.65 C ATOM 245 CD1 PHE A 28 30.801 -4.562 14.675 1.00 12.34 C ATOM 246 CD2 PHE A 28 32.156 -2.626 14.321 1.00 12.45 C ATOM 247 CE1 PHE A 28 31.941 -5.366 14.694 1.00 13.46 C ATOM 248 CE2 PHE A 28 33.306 -3.432 14.332 1.00 13.69 C ATOM 249 CZ PHE A 28 33.203 -4.791 14.510 1.00 12.67 C ATOM 250 H PHE A 28 30.191 -1.340 12.125 1.00 0.00 H ATOM 251 N PHE A 29 26.934 -0.964 12.774 1.00 14.40 N ATOM 252 CA PHE A 29 25.549 -0.476 12.814 1.00 14.91 C ATOM 253 C PHE A 29 24.620 -1.168 11.826 1.00 16.81 C ATOM 254 O PHE A 29 23.405 -0.910 11.847 1.00 17.71 O ATOM 255 CB PHE A 29 25.495 1.029 12.506 1.00 15.65 C ATOM 256 CG PHE A 29 25.897 1.898 13.650 1.00 17.65 C ATOM 257 CD1 PHE A 29 24.984 2.227 14.640 1.00 16.85 C ATOM 258 CD2 PHE A 29 27.195 2.390 13.742 1.00 18.46 C ATOM 259 CE1 PHE A 29 25.352 3.034 15.709 1.00 18.86 C ATOM 260 CE2 PHE A 29 27.564 3.203 14.800 1.00 18.40 C ATOM 261 CZ PHE A 29 26.647 3.528 15.783 1.00 20.12 C ATOM 262 H PHE A 29 27.616 -0.470 12.164 1.00 0.00 H ATOM 263 N CYS A 30 25.158 -2.005 10.958 1.00 13.47 N ATOM 264 CA CYS A 30 24.443 -2.530 9.800 1.00 13.46 C ATOM 265 C CYS A 30 23.709 -3.815 10.158 1.00 13.46 C ATOM 266 O CYS A 30 24.358 -4.800 10.539 1.00 16.76 O ATOM 267 CB CYS A 30 25.455 -2.749 8.690 1.00 15.80 C ATOM 268 SG CYS A 30 25.135 -3.929 7.367 1.00 17.09 S ATOM 269 H CYS A 30 26.142 -2.305 11.108 1.00 0.00 H ATOM 270 N PRO A 31 22.371 -3.848 10.086 1.00 15.85 N ATOM 271 CA PRO A 31 21.645 -5.052 10.540 1.00 15.91 C ATOM 272 C PRO A 31 21.942 -6.303 9.727 1.00 16.25 C ATOM 273 O PRO A 31 22.113 -7.377 10.314 1.00 15.63 O ATOM 274 CB PRO A 31 20.166 -4.628 10.438 1.00 19.38 C ATOM 275 CG PRO A 31 20.199 -3.127 10.529 1.00 21.84 C ATOM 276 CD PRO A 31 21.463 -2.723 9.804 1.00 21.28 C ATOM 277 N HIS A 32 22.018 -6.211 8.396 1.00 17.44 N ATOM 278 CA HIS A 32 22.385 -7.398 7.632 1.00 15.56 C ATOM 279 C HIS A 32 23.808 -7.845 7.949 1.00 18.69 C ATOM 280 O HIS A 32 24.107 -9.043 7.884 1.00 17.39 O ATOM 281 CB HIS A 32 22.233 -7.142 6.136 1.00 17.61 C ATOM 282 CG HIS A 32 20.831 -7.298 5.631 1.00 24.43 C ATOM 283 ND1 HIS A 32 20.242 -6.387 4.778 1.00 29.80 N ATOM 284 CD2 HIS A 32 19.905 -8.261 5.849 1.00 27.79 C ATOM 285 CE1 HIS A 32 19.011 -6.780 4.500 1.00 27.60 C ATOM 286 NE2 HIS A 32 18.782 -7.914 5.137 1.00 31.84 N ATOM 287 H HIS A 32 21.819 -5.311 7.914 1.00 0.00 H ATOM 288 N CYS A 33 24.690 -6.902 8.308 1.00 15.11 N ATOM 289 CA CYS A 33 26.051 -7.270 8.681 1.00 15.96 C ATOM 290 C CYS A 33 26.044 -8.108 9.948 1.00 12.09 C ATOM 291 O CYS A 33 26.806 -9.070 10.065 1.00 16.01 O ATOM 292 CB CYS A 33 26.915 -6.010 8.845 1.00 13.93 C ATOM 293 SG CYS A 33 26.937 -4.956 7.341 1.00 15.15 S ATOM 294 H CYS A 33 24.402 -5.903 8.321 1.00 0.00 H ATOM 295 N TYR A 34 25.202 -7.733 10.912 1.00 13.77 N ATOM 296 CA TYR A 34 25.038 -8.532 12.119 1.00 13.95 C ATOM 297 C TYR A 34 24.635 -9.958 11.768 1.00 13.12 C ATOM 298 O TYR A 34 25.182 -10.923 12.314 1.00 15.39 O ATOM 299 CB TYR A 34 23.993 -7.863 13.008 1.00 17.52 C ATOM 300 CG TYR A 34 23.804 -8.409 14.406 1.00 20.06 C ATOM 301 CD1 TYR A 34 23.116 -9.608 14.629 1.00 18.63 C ATOM 302 CD2 TYR A 34 24.230 -7.683 15.513 1.00 19.42 C ATOM 303 CE1 TYR A 34 22.925 -10.084 15.905 1.00 22.92 C ATOM 304 CE2 TYR A 34 24.036 -8.161 16.803 1.00 17.72 C ATOM 305 CZ TYR A 34 23.386 -9.354 16.991 1.00 19.65 C ATOM 306 OH TYR A 34 23.179 -9.824 18.276 1.00 19.83 O ATOM 307 HH TYR A 34 22.700 -10.690 18.236 1.00 0.00 H ATOM 308 H TYR A 34 24.654 -6.856 10.800 1.00 0.00 H ATOM 309 N GLN A 35 23.655 -10.113 10.872 1.00 15.06 N ATOM 310 CA GLN A 35 23.262 -11.446 10.422 1.00 17.96 C ATOM 311 C GLN A 35 24.403 -12.146 9.695 1.00 17.75 C ATOM 312 O GLN A 35 24.660 -13.332 9.931 1.00 18.38 O ATOM 313 CB GLN A 35 22.033 -11.362 9.515 1.00 17.73 C ATOM 314 CG GLN A 35 20.828 -10.671 10.127 1.00 21.54 C ATOM 315 CD GLN A 35 19.809 -10.288 9.076 1.00 31.05 C ATOM 316 OE1 GLN A 35 20.016 -10.527 7.885 1.00 37.12 O ATOM 317 NE2 GLN A 35 18.703 -9.686 9.506 1.00 43.42 N ATOM 318 HE22 GLN A 35 18.571 -9.504 10.521 1.00 0.00 H ATOM 319 HE21 GLN A 35 17.971 -9.397 8.827 1.00 0.00 H ATOM 320 H GLN A 35 23.168 -9.277 10.492 1.00 0.00 H ATOM 321 N PHE A 36 25.111 -11.423 8.816 1.00 16.84 N ATOM 322 CA PHE A 36 26.216 -12.037 8.070 1.00 15.36 C ATOM 323 C PHE A 36 27.271 -12.589 9.018 1.00 18.61 C ATOM 324 O PHE A 36 27.952 -13.569 8.696 1.00 15.92 O ATOM 325 CB PHE A 36 26.873 -11.015 7.123 1.00 14.26 C ATOM 326 CG PHE A 36 26.262 -10.947 5.743 1.00 13.98 C ATOM 327 CD1 PHE A 36 24.899 -11.137 5.544 1.00 16.01 C ATOM 328 CD2 PHE A 36 27.060 -10.665 4.644 1.00 14.09 C ATOM 329 CE1 PHE A 36 24.349 -11.048 4.271 1.00 18.90 C ATOM 330 CE2 PHE A 36 26.524 -10.595 3.354 1.00 14.21 C ATOM 331 CZ PHE A 36 25.157 -10.787 3.169 1.00 16.81 C ATOM 332 H PHE A 36 24.876 -10.422 8.662 1.00 0.00 H ATOM 333 N GLU A 37 27.407 -11.980 10.198 1.00 15.16 N ATOM 334 CA GLU A 37 28.320 -12.483 11.215 1.00 18.72 C ATOM 335 C GLU A 37 27.702 -13.636 12.015 1.00 16.47 C ATOM 336 O GLU A 37 28.179 -14.772 11.937 1.00 20.70 O ATOM 337 CB GLU A 37 28.749 -11.333 12.133 1.00 18.77 C ATOM 338 CG GLU A 37 29.707 -11.734 13.251 1.00 20.09 C ATOM 339 CD GLU A 37 30.979 -12.385 12.737 1.00 19.28 C ATOM 340 OE1 GLU A 37 31.522 -11.949 11.689 1.00 16.62 O ATOM 341 OE2 GLU A 37 31.417 -13.364 13.388 1.00 21.20 O ATOM 342 H GLU A 37 26.848 -11.126 10.396 1.00 0.00 H ATOM 343 N GLU A 38 26.624 -13.372 12.770 1.00 17.22 N ATOM 344 CA GLU A 38 26.182 -14.320 13.805 1.00 20.23 C ATOM 345 C GLU A 38 25.275 -15.431 13.288 1.00 20.17 C ATOM 346 O GLU A 38 25.275 -16.535 13.856 1.00 22.16 O ATOM 347 CB GLU A 38 25.437 -13.589 14.923 1.00 20.30 C ATOM 348 CG GLU A 38 26.278 -12.565 15.665 1.00 19.90 C ATOM 349 CD GLU A 38 25.773 -12.328 17.083 1.00 25.17 C ATOM 350 OE1 GLU A 38 24.816 -13.010 17.512 1.00 27.54 O ATOM 351 OE2 GLU A 38 26.355 -11.476 17.776 1.00 28.76 O ATOM 352 H GLU A 38 26.096 -12.488 12.622 1.00 0.00 H ATOM 353 N VAL A 39 24.474 -15.156 12.263 1.00 20.01 N ATOM 354 CA VAL A 39 23.448 -16.080 11.799 1.00 19.69 C ATOM 355 C VAL A 39 23.908 -16.869 10.581 1.00 15.53 C ATOM 356 O VAL A 39 23.637 -18.067 10.474 1.00 19.83 O ATOM 357 CB VAL A 39 22.149 -15.300 11.509 1.00 21.38 C ATOM 358 CG1 VAL A 39 21.111 -16.187 10.837 1.00 21.43 C ATOM 359 CG2 VAL A 39 21.600 -14.740 12.812 1.00 26.48 C ATOM 360 H VAL A 39 24.584 -14.245 11.773 1.00 0.00 H ATOM 361 N LEU A 40 24.651 -16.224 9.682 1.00 16.15 N ATOM 362 CA LEU A 40 25.032 -16.830 8.415 1.00 16.38 C ATOM 363 C LEU A 40 26.509 -17.169 8.302 1.00 19.55 C ATOM 364 O LEU A 40 26.859 -18.056 7.514 1.00 17.53 O ATOM 365 CB LEU A 40 24.660 -15.893 7.262 1.00 15.52 C ATOM 366 CG LEU A 40 23.187 -15.473 7.229 1.00 18.10 C ATOM 367 CD1 LEU A 40 22.970 -14.478 6.113 1.00 18.11 C ATOM 368 CD2 LEU A 40 22.278 -16.705 7.063 1.00 19.48 C ATOM 369 H LEU A 40 24.969 -15.256 9.893 1.00 0.00 H ATOM 370 N HIS A 41 27.371 -16.506 9.065 1.00 17.53 N ATOM 371 CA HIS A 41 28.813 -16.718 8.985 1.00 18.16 C ATOM 372 C HIS A 41 29.286 -16.692 7.527 1.00 18.34 C ATOM 373 O HIS A 41 29.912 -17.627 7.031 1.00 16.58 O ATOM 374 CB HIS A 41 29.205 -18.032 9.672 1.00 21.06 C ATOM 375 CG HIS A 41 28.694 -18.148 11.073 1.00 21.88 C ATOM 376 ND1 HIS A 41 29.292 -17.503 12.135 1.00 22.67 N ATOM 377 CD2 HIS A 41 27.629 -18.808 11.586 1.00 24.32 C ATOM 378 CE1 HIS A 41 28.625 -17.775 13.244 1.00 22.39 C ATOM 379 NE2 HIS A 41 27.605 -18.557 12.938 1.00 22.78 N ATOM 380 H HIS A 41 27.005 -15.810 9.745 1.00 0.00 H ATOM 381 N ILE A 42 28.950 -15.599 6.835 1.00 16.18 N ATOM 382 CA ILE A 42 29.234 -15.497 5.400 1.00 15.49 C ATOM 383 C ILE A 42 30.736 -15.603 5.125 1.00 16.91 C ATOM 384 O ILE A 42 31.165 -16.339 4.231 1.00 15.19 O ATOM 385 CB ILE A 42 28.644 -14.191 4.831 1.00 15.55 C ATOM 386 CG1 ILE A 42 27.125 -14.318 4.644 1.00 17.30 C ATOM 387 CG2 ILE A 42 29.338 -13.802 3.513 1.00 16.37 C ATOM 388 CD1 ILE A 42 26.709 -15.248 3.488 1.00 17.97 C ATOM 389 H ILE A 42 28.480 -14.809 7.322 1.00 0.00 H ATOM 390 N SER A 43 31.560 -14.889 5.898 1.00 19.47 N ATOM 391 CA SER A 43 32.999 -14.890 5.628 1.00 17.49 C ATOM 392 C SER A 43 33.584 -16.293 5.753 1.00 18.70 C ATOM 393 O SER A 43 34.372 -16.725 4.901 1.00 19.01 O ATOM 394 CB SER A 43 33.717 -13.919 6.568 1.00 20.09 C ATOM 395 OG SER A 43 33.215 -12.605 6.371 1.00 16.87 O ATOM 396 HG SER A 43 33.371 -12.331 5.433 1.00 0.00 H ATOM 397 H SER A 43 31.179 -14.333 6.690 1.00 0.00 H ATOM 398 N ASP A 44 33.201 -17.029 6.795 1.00 16.95 N ATOM 399 CA ASP A 44 33.743 -18.375 6.955 1.00 21.58 C ATOM 400 C ASP A 44 33.237 -19.314 5.869 1.00 19.97 C ATOM 401 O ASP A 44 33.970 -20.199 5.419 1.00 17.64 O ATOM 402 CB ASP A 44 33.401 -18.933 8.335 1.00 23.19 C ATOM 403 CG ASP A 44 34.004 -20.305 8.569 1.00 27.59 C ATOM 404 OD1 ASP A 44 35.204 -20.490 8.260 1.00 30.92 O ATOM 405 OD2 ASP A 44 33.281 -21.199 9.058 1.00 34.98 O ATOM 406 H ASP A 44 32.524 -16.649 7.487 1.00 0.00 H ATOM 407 N ASN A 45 31.987 -19.151 5.434 1.00 16.42 N ATOM 408 CA ASN A 45 31.477 -20.053 4.410 1.00 15.87 C ATOM 409 C ASN A 45 32.049 -19.738 3.038 1.00 16.78 C ATOM 410 O ASN A 45 32.260 -20.650 2.228 1.00 19.26 O ATOM 411 CB ASN A 45 29.952 -20.019 4.409 1.00 17.75 C ATOM 412 CG ASN A 45 29.383 -20.963 5.424 1.00 19.29 C ATOM 413 OD1 ASN A 45 29.452 -22.171 5.244 1.00 23.13 O ATOM 414 ND2 ASN A 45 28.849 -20.423 6.524 1.00 16.46 N ATOM 415 HD22 ASN A 45 28.813 -19.389 6.631 1.00 0.00 H ATOM 416 HD21 ASN A 45 28.469 -21.037 7.273 1.00 0.00 H ATOM 417 H ASN A 45 31.387 -18.394 5.819 1.00 0.00 H ATOM 418 N VAL A 46 32.347 -18.469 2.773 1.00 17.07 N ATOM 419 CA VAL A 46 33.047 -18.136 1.540 1.00 16.58 C ATOM 420 C VAL A 46 34.465 -18.694 1.570 1.00 18.63 C ATOM 421 O VAL A 46 34.932 -19.298 0.599 1.00 18.40 O ATOM 422 CB VAL A 46 33.038 -16.612 1.338 1.00 16.44 C ATOM 423 CG1 VAL A 46 33.974 -16.216 0.192 1.00 19.63 C ATOM 424 CG2 VAL A 46 31.605 -16.134 1.079 1.00 19.71 C ATOM 425 H VAL A 46 32.082 -17.719 3.443 1.00 0.00 H ATOM 426 N LYS A 47 35.165 -18.509 2.692 1.00 16.06 N ATOM 427 CA LYS A 47 36.524 -19.022 2.831 1.00 18.40 C ATOM 428 C LYS A 47 36.600 -20.510 2.519 1.00 20.12 C ATOM 429 O LYS A 47 37.532 -20.961 1.842 1.00 20.00 O ATOM 430 CB LYS A 47 37.033 -18.740 4.247 1.00 17.31 C ATOM 431 CG LYS A 47 38.509 -19.118 4.481 1.00 22.28 C ATOM 432 CD LYS A 47 38.856 -18.977 5.961 1.00 29.91 C ATOM 433 CE LYS A 47 40.340 -19.207 6.225 1.00 37.33 C ATOM 434 NZ LYS A 47 41.157 -18.053 5.767 1.00 45.78 N ATOM 435 HZ1 LYS A 47 41.020 -17.917 4.745 1.00 0.00 H ATOM 436 HZ2 LYS A 47 40.860 -17.196 6.275 1.00 0.00 H ATOM 437 HZ3 LYS A 47 42.161 -18.242 5.961 1.00 0.00 H ATOM 438 H LYS A 47 34.733 -17.989 3.482 1.00 0.00 H ATOM 439 N LYS A 48 35.617 -21.284 2.985 1.00 21.19 N ATOM 440 CA LYS A 48 35.644 -22.729 2.782 1.00 21.04 C ATOM 441 C LYS A 48 35.446 -23.122 1.325 1.00 24.25 C ATOM 442 O LYS A 48 35.898 -24.196 0.923 1.00 28.41 O ATOM 443 CB LYS A 48 34.589 -23.395 3.669 1.00 24.12 C ATOM 444 CG LYS A 48 34.994 -23.444 5.129 1.00 31.55 C ATOM 445 CD LYS A 48 33.913 -24.072 5.996 1.00 42.17 C ATOM 446 CE LYS A 48 34.267 -23.927 7.469 1.00 51.67 C ATOM 447 NZ LYS A 48 33.113 -24.246 8.354 1.00 57.66 N ATOM 448 HZ1 LYS A 48 32.327 -23.599 8.143 1.00 0.00 H ATOM 449 HZ2 LYS A 48 32.810 -25.227 8.187 1.00 0.00 H ATOM 450 HZ3 LYS A 48 33.399 -24.134 9.348 1.00 0.00 H ATOM 451 H LYS A 48 34.823 -20.852 3.499 1.00 0.00 H ATOM 452 N LYS A 49 34.818 -22.269 0.518 1.00 22.53 N ATOM 453 CA LYS A 49 34.595 -22.565 -0.889 1.00 19.76 C ATOM 454 C LYS A 49 35.724 -22.065 -1.790 1.00 23.72 C ATOM 455 O LYS A 49 35.737 -22.387 -2.983 1.00 26.24 O ATOM 456 CB LYS A 49 33.256 -21.962 -1.349 1.00 23.29 C ATOM 457 CG LYS A 49 32.002 -22.777 -0.953 1.00 23.46 C ATOM 458 CD LYS A 49 31.805 -23.929 -1.903 1.00 23.65 C ATOM 459 CE LYS A 49 30.618 -24.837 -1.522 1.00 22.75 C ATOM 460 NZ LYS A 49 29.281 -24.176 -1.556 1.00 23.15 N ATOM 461 HZ1 LYS A 49 29.273 -23.379 -0.888 1.00 0.00 H ATOM 462 HZ2 LYS A 49 29.093 -23.827 -2.517 1.00 0.00 H ATOM 463 HZ3 LYS A 49 28.549 -24.863 -1.286 1.00 0.00 H ATOM 464 H LYS A 49 34.477 -21.366 0.904 1.00 0.00 H ATOM 465 N LEU A 50 36.673 -21.310 -1.255 1.00 19.61 N ATOM 466 CA LEU A 50 37.808 -20.800 -2.014 1.00 19.47 C ATOM 467 C LEU A 50 39.067 -21.626 -1.745 1.00 23.43 C ATOM 468 O LEU A 50 39.177 -22.295 -0.714 1.00 27.55 O ATOM 469 CB LEU A 50 38.048 -19.330 -1.649 1.00 20.23 C ATOM 470 CG LEU A 50 36.917 -18.389 -2.083 1.00 23.74 C ATOM 471 CD1 LEU A 50 37.181 -16.955 -1.631 1.00 22.24 C ATOM 472 CD2 LEU A 50 36.727 -18.445 -3.588 1.00 29.42 C ATOM 473 H LEU A 50 36.604 -21.070 -0.245 1.00 0.00 H ATOM 474 N PRO A 51 40.047 -21.600 -2.651 1.00 26.35 N ATOM 475 CA PRO A 51 41.292 -22.347 -2.405 1.00 29.15 C ATOM 476 C PRO A 51 42.001 -21.877 -1.143 1.00 33.23 C ATOM 477 O PRO A 51 41.887 -20.721 -0.731 1.00 34.63 O ATOM 478 CB PRO A 51 42.137 -22.058 -3.653 1.00 30.90 C ATOM 479 CG PRO A 51 41.156 -21.679 -4.698 1.00 30.92 C ATOM 480 CD PRO A 51 40.036 -20.973 -3.983 1.00 24.16 C ATOM 481 N GLU A 52 42.750 -22.797 -0.530 1.00 40.94 N ATOM 482 CA GLU A 52 43.491 -22.457 0.678 1.00 38.29 C ATOM 483 C GLU A 52 44.501 -21.356 0.380 1.00 43.95 C ATOM 484 O GLU A 52 45.141 -21.347 -0.674 1.00 48.38 O ATOM 485 CB GLU A 52 44.198 -23.694 1.243 1.00 46.66 C ATOM 486 H GLU A 52 42.805 -23.761 -0.917 1.00 0.00 H ATOM 487 N GLY A 53 44.617 -20.404 1.303 1.00 45.12 N ATOM 488 CA GLY A 53 45.575 -19.329 1.180 1.00 52.13 C ATOM 489 C GLY A 53 45.076 -18.081 0.479 1.00 53.03 C ATOM 490 O GLY A 53 45.812 -17.086 0.432 1.00 53.41 O ATOM 491 H GLY A 53 43.999 -20.435 2.139 1.00 0.00 H ATOM 492 N VAL A 54 43.859 -18.098 -0.074 1.00 43.87 N ATOM 493 CA VAL A 54 43.325 -16.904 -0.719 1.00 43.72 C ATOM 494 C VAL A 54 43.216 -15.780 0.306 1.00 37.62 C ATOM 495 O VAL A 54 42.809 -15.993 1.456 1.00 38.69 O ATOM 496 CB VAL A 54 41.966 -17.207 -1.375 1.00 39.90 C ATOM 497 CG1 VAL A 54 41.237 -15.928 -1.733 1.00 44.49 C ATOM 498 CG2 VAL A 54 42.162 -18.063 -2.620 1.00 45.29 C ATOM 499 H VAL A 54 43.290 -18.968 -0.044 1.00 0.00 H ATOM 500 N LYS A 55 43.612 -14.578 -0.102 1.00 32.54 N ATOM 501 CA LYS A 55 43.554 -13.410 0.768 1.00 32.97 C ATOM 502 C LYS A 55 42.112 -12.911 0.847 1.00 26.85 C ATOM 503 O LYS A 55 41.508 -12.575 -0.178 1.00 24.29 O ATOM 504 CB LYS A 55 44.485 -12.326 0.228 1.00 40.53 C ATOM 505 CG LYS A 55 44.509 -11.011 0.986 1.00 42.67 C ATOM 506 CD LYS A 55 44.566 -11.178 2.484 1.00 47.94 C ATOM 507 CE LYS A 55 45.265 -9.976 3.091 1.00 56.97 C ATOM 508 NZ LYS A 55 44.361 -9.246 4.015 1.00 69.88 N ATOM 509 HZ1 LYS A 55 43.524 -8.917 3.492 1.00 0.00 H ATOM 510 HZ2 LYS A 55 44.064 -9.882 4.782 1.00 0.00 H ATOM 511 HZ3 LYS A 55 44.864 -8.429 4.416 1.00 0.00 H ATOM 512 H LYS A 55 43.974 -14.468 -1.071 1.00 0.00 H ATOM 513 N MET A 56 41.553 -12.881 2.054 1.00 24.46 N ATOM 514 CA MET A 56 40.264 -12.242 2.298 1.00 22.83 C ATOM 515 C MET A 56 40.478 -11.051 3.217 1.00 20.72 C ATOM 516 O MET A 56 41.195 -11.156 4.218 1.00 24.86 O ATOM 517 CB MET A 56 39.257 -13.214 2.910 1.00 25.88 C ATOM 518 CG MET A 56 38.885 -14.346 1.963 1.00 29.51 C ATOM 519 SD MET A 56 37.746 -15.506 2.719 1.00 27.52 S ATOM 520 CE MET A 56 36.255 -14.549 2.789 1.00 20.16 C ATOM 521 H MET A 56 42.051 -13.328 2.850 1.00 0.00 H ATOM 522 N THR A 57 39.874 -9.920 2.866 1.00 16.65 N ATOM 523 CA THR A 57 40.059 -8.668 3.589 1.00 18.51 C ATOM 524 C THR A 57 38.689 -8.157 4.005 1.00 16.49 C ATOM 525 O THR A 57 37.721 -8.291 3.250 1.00 17.91 O ATOM 526 CB THR A 57 40.787 -7.626 2.716 1.00 21.34 C ATOM 527 OG1 THR A 57 42.065 -8.139 2.313 1.00 23.80 O ATOM 528 CG2 THR A 57 41.002 -6.304 3.471 1.00 20.62 C ATOM 529 HG1 THR A 57 42.528 -7.466 1.753 1.00 0.00 H ATOM 530 H THR A 57 39.242 -9.929 2.040 1.00 0.00 H ATOM 531 N LYS A 58 38.592 -7.609 5.218 1.00 15.35 N ATOM 532 CA LYS A 58 37.323 -7.079 5.707 1.00 13.56 C ATOM 533 C LYS A 58 37.559 -5.728 6.358 1.00 14.28 C ATOM 534 O LYS A 58 38.341 -5.624 7.313 1.00 14.09 O ATOM 535 CB LYS A 58 36.660 -8.033 6.707 1.00 13.29 C ATOM 536 CG LYS A 58 35.312 -7.488 7.223 1.00 13.00 C ATOM 537 CD LYS A 58 34.636 -8.482 8.166 1.00 17.34 C ATOM 538 CE LYS A 58 34.053 -9.637 7.404 1.00 20.33 C ATOM 539 NZ LYS A 58 33.508 -10.628 8.369 1.00 19.18 N ATOM 540 HZ1 LYS A 58 34.273 -10.965 8.987 1.00 0.00 H ATOM 541 HZ2 LYS A 58 32.768 -10.178 8.945 1.00 0.00 H ATOM 542 HZ3 LYS A 58 33.102 -11.431 7.847 1.00 0.00 H ATOM 543 H LYS A 58 39.435 -7.559 5.825 1.00 0.00 H ATOM 544 N TYR A 59 36.862 -4.708 5.860 1.00 12.15 N ATOM 545 CA TYR A 59 37.029 -3.342 6.332 1.00 11.89 C ATOM 546 C TYR A 59 35.716 -2.769 6.850 1.00 13.35 C ATOM 547 O TYR A 59 34.625 -3.111 6.362 1.00 14.49 O ATOM 548 CB TYR A 59 37.537 -2.451 5.203 1.00 12.52 C ATOM 549 CG TYR A 59 38.968 -2.647 4.798 1.00 14.86 C ATOM 550 CD1 TYR A 59 39.909 -3.219 5.664 1.00 14.52 C ATOM 551 CD2 TYR A 59 39.395 -2.226 3.557 1.00 15.81 C ATOM 552 CE1 TYR A 59 41.244 -3.369 5.280 1.00 16.14 C ATOM 553 CE2 TYR A 59 40.716 -2.370 3.167 1.00 16.27 C ATOM 554 CZ TYR A 59 41.635 -2.943 4.025 1.00 21.88 C ATOM 555 OH TYR A 59 42.958 -3.076 3.621 1.00 22.96 O ATOM 556 HH TYR A 59 43.482 -3.502 4.345 1.00 0.00 H ATOM 557 H TYR A 59 36.172 -4.895 5.105 1.00 0.00 H ATOM 558 N HIS A 60 35.830 -1.876 7.832 1.00 12.29 N ATOM 559 CA HIS A 60 34.705 -1.128 8.371 1.00 11.94 C ATOM 560 C HIS A 60 34.490 0.167 7.571 1.00 13.97 C ATOM 561 O HIS A 60 35.388 0.645 6.879 1.00 15.91 O ATOM 562 CB HIS A 60 34.952 -0.818 9.856 1.00 11.36 C ATOM 563 CG HIS A 60 33.718 -0.430 10.608 1.00 13.05 C ATOM 564 ND1 HIS A 60 33.348 0.883 10.824 1.00 12.80 N ATOM 565 CD2 HIS A 60 32.755 -1.193 11.184 1.00 13.40 C ATOM 566 CE1 HIS A 60 32.212 0.909 11.510 1.00 11.96 C ATOM 567 NE2 HIS A 60 31.838 -0.338 11.750 1.00 13.33 N ATOM 568 H HIS A 60 36.773 -1.705 8.235 1.00 0.00 H ATOM 569 N VAL A 61 33.268 0.712 7.641 1.00 13.54 N ATOM 570 CA VAL A 61 32.910 1.921 6.904 1.00 12.82 C ATOM 571 C VAL A 61 32.434 3.013 7.857 1.00 12.09 C ATOM 572 O VAL A 61 31.919 2.758 8.952 1.00 14.46 O ATOM 573 CB VAL A 61 31.824 1.675 5.829 1.00 13.21 C ATOM 574 CG1 VAL A 61 32.278 0.599 4.854 1.00 17.34 C ATOM 575 CG2 VAL A 61 30.496 1.306 6.476 1.00 14.29 C ATOM 576 H VAL A 61 32.550 0.258 8.241 1.00 0.00 H ATOM 577 N ASN A 62 32.566 4.258 7.389 1.00 13.86 N ATOM 578 CA ASN A 62 32.185 5.416 8.187 1.00 14.11 C ATOM 579 C ASN A 62 30.717 5.803 8.065 1.00 15.96 C ATOM 580 O ASN A 62 30.213 6.501 8.951 1.00 21.07 O ATOM 581 CB ASN A 62 33.015 6.645 7.779 1.00 14.38 C ATOM 582 CG ASN A 62 34.468 6.524 8.190 1.00 15.47 C ATOM 583 OD1 ASN A 62 34.809 5.727 9.068 1.00 16.37 O ATOM 584 ND2 ASN A 62 35.328 7.335 7.577 1.00 17.47 N ATOM 585 HD22 ASN A 62 34.992 7.990 6.842 1.00 0.00 H ATOM 586 HD21 ASN A 62 36.336 7.313 7.833 1.00 0.00 H ATOM 587 H ASN A 62 32.949 4.404 6.433 1.00 0.00 H ATOM 588 N PHE A 63 30.032 5.437 6.980 1.00 17.04 N ATOM 589 CA PHE A 63 28.855 6.228 6.634 1.00 15.85 C ATOM 590 C PHE A 63 27.616 5.906 7.465 1.00 19.47 C ATOM 591 O PHE A 63 26.603 6.584 7.296 1.00 24.47 O ATOM 592 CB PHE A 63 28.530 6.121 5.137 1.00 19.56 C ATOM 593 CG PHE A 63 28.251 4.726 4.648 1.00 18.84 C ATOM 594 CD1 PHE A 63 26.999 4.156 4.798 1.00 25.71 C ATOM 595 CD2 PHE A 63 29.236 4.005 3.980 1.00 25.04 C ATOM 596 CE1 PHE A 63 26.738 2.881 4.317 1.00 25.46 C ATOM 597 CE2 PHE A 63 28.982 2.738 3.499 1.00 22.23 C ATOM 598 CZ PHE A 63 27.735 2.175 3.666 1.00 22.02 C ATOM 599 H PHE A 63 30.325 4.622 6.404 1.00 0.00 H ATOM 600 N MET A 64 27.662 4.938 8.375 1.00 18.25 N ATOM 601 CA MET A 64 26.563 4.719 9.313 1.00 15.83 C ATOM 602 C MET A 64 27.004 5.143 10.707 1.00 15.59 C ATOM 603 O MET A 64 28.099 4.784 11.151 1.00 16.80 O ATOM 604 CB MET A 64 26.132 3.245 9.334 1.00 17.05 C ATOM 605 CG MET A 64 25.672 2.705 7.993 1.00 19.90 C ATOM 606 SD MET A 64 25.014 1.016 8.110 1.00 21.82 S ATOM 607 CE MET A 64 23.437 1.304 8.920 1.00 23.37 C ATOM 608 H MET A 64 28.499 4.323 8.420 1.00 0.00 H ATOM 609 N GLY A 65 26.153 5.888 11.405 1.00 18.50 N ATOM 610 CA GLY A 65 26.408 6.138 12.810 1.00 21.70 C ATOM 611 C GLY A 65 27.222 7.363 13.162 1.00 17.65 C ATOM 612 O GLY A 65 27.625 7.491 14.322 1.00 20.40 O ATOM 613 H GLY A 65 25.310 6.289 10.946 1.00 0.00 H ATOM 614 N GLY A 66 27.485 8.270 12.219 1.00 18.25 N ATOM 615 CA GLY A 66 28.078 9.554 12.591 1.00 22.27 C ATOM 616 C GLY A 66 29.433 9.429 13.274 1.00 22.73 C ATOM 617 O GLY A 66 30.337 8.739 12.784 1.00 20.11 O ATOM 618 H GLY A 66 27.269 8.064 11.223 1.00 0.00 H ATOM 619 N ASP A 67 29.588 10.149 14.398 1.00 21.31 N ATOM 620 CA ASP A 67 30.832 10.128 15.169 1.00 16.35 C ATOM 621 C ASP A 67 31.232 8.704 15.523 1.00 16.41 C ATOM 622 O ASP A 67 32.383 8.292 15.326 1.00 18.20 O ATOM 623 CB ASP A 67 30.662 10.915 16.470 1.00 22.75 C ATOM 624 CG ASP A 67 31.075 12.367 16.362 1.00 35.32 C ATOM 625 OD1 ASP A 67 31.982 12.713 15.579 1.00 26.33 O ATOM 626 OD2 ASP A 67 30.482 13.175 17.109 1.00 37.00 O ATOM 627 H ASP A 67 28.799 10.740 14.731 1.00 0.00 H ATOM 628 N LEU A 68 30.292 7.952 16.094 1.00 19.06 N ATOM 629 CA LEU A 68 30.607 6.603 16.546 1.00 19.27 C ATOM 630 C LEU A 68 30.957 5.694 15.378 1.00 18.44 C ATOM 631 O LEU A 68 31.768 4.771 15.536 1.00 16.56 O ATOM 632 CB LEU A 68 29.434 6.032 17.344 1.00 19.13 C ATOM 633 CG LEU A 68 29.753 5.035 18.461 1.00 34.55 C ATOM 634 CD1 LEU A 68 30.784 5.579 19.434 1.00 25.98 C ATOM 635 CD2 LEU A 68 28.469 4.646 19.198 1.00 33.54 C ATOM 636 H LEU A 68 29.331 8.329 16.217 1.00 0.00 H ATOM 637 N GLY A 69 30.356 5.934 14.205 1.00 18.39 N ATOM 638 CA GLY A 69 30.750 5.195 13.017 1.00 20.04 C ATOM 639 C GLY A 69 32.233 5.328 12.721 1.00 19.07 C ATOM 640 O GLY A 69 32.913 4.337 12.428 1.00 17.72 O ATOM 641 H GLY A 69 29.605 6.651 14.144 1.00 0.00 H ATOM 642 N LYS A 70 32.761 6.557 12.800 1.00 16.43 N ATOM 643 CA LYS A 70 34.195 6.770 12.581 1.00 15.86 C ATOM 644 C LYS A 70 35.028 6.195 13.715 1.00 17.67 C ATOM 645 O LYS A 70 36.124 5.665 13.478 1.00 17.30 O ATOM 646 CB LYS A 70 34.503 8.259 12.397 1.00 21.28 C ATOM 647 CG LYS A 70 34.220 8.755 10.989 1.00 20.40 C ATOM 648 CD LYS A 70 34.885 10.072 10.669 1.00 22.68 C ATOM 649 CE LYS A 70 36.368 9.890 10.349 1.00 31.33 C ATOM 650 NZ LYS A 70 36.954 11.137 9.830 1.00 40.02 N ATOM 651 HZ1 LYS A 70 36.457 11.417 8.960 1.00 0.00 H ATOM 652 HZ2 LYS A 70 36.856 11.888 10.543 1.00 0.00 H ATOM 653 HZ3 LYS A 70 37.961 10.985 9.621 1.00 0.00 H ATOM 654 H LYS A 70 32.148 7.368 13.019 1.00 0.00 H ATOM 655 N ASP A 71 34.546 6.318 14.957 1.00 14.68 N ATOM 656 CA ASP A 71 35.240 5.678 16.073 1.00 12.23 C ATOM 657 C ASP A 71 35.340 4.177 15.857 1.00 15.54 C ATOM 658 O ASP A 71 36.370 3.570 16.171 1.00 14.36 O ATOM 659 CB ASP A 71 34.529 5.967 17.397 1.00 14.98 C ATOM 660 CG ASP A 71 34.869 7.320 17.954 1.00 18.08 C ATOM 661 OD1 ASP A 71 36.026 7.757 17.820 1.00 18.16 O ATOM 662 OD2 ASP A 71 33.965 7.948 18.538 1.00 22.44 O ATOM 663 H ASP A 71 33.680 6.868 15.128 1.00 0.00 H ATOM 664 N LEU A 72 34.288 3.566 15.300 1.00 12.77 N ATOM 665 CA LEU A 72 34.316 2.127 15.066 1.00 11.71 C ATOM 666 C LEU A 72 35.246 1.747 13.923 1.00 13.18 C ATOM 667 O LEU A 72 35.861 0.677 13.968 1.00 13.14 O ATOM 668 CB LEU A 72 32.896 1.613 14.823 1.00 10.96 C ATOM 669 CG LEU A 72 32.071 1.547 16.125 1.00 11.78 C ATOM 670 CD1 LEU A 72 30.581 1.446 15.793 1.00 13.43 C ATOM 671 CD2 LEU A 72 32.470 0.345 17.003 1.00 14.59 C ATOM 672 H LEU A 72 33.448 4.119 15.033 1.00 0.00 H ATOM 673 N THR A 73 35.382 2.597 12.904 1.00 14.80 N ATOM 674 CA THR A 73 36.385 2.338 11.873 1.00 13.47 C ATOM 675 C THR A 73 37.788 2.382 12.467 1.00 15.52 C ATOM 676 O THR A 73 38.652 1.565 12.114 1.00 13.16 O ATOM 677 CB THR A 73 36.233 3.349 10.735 1.00 13.16 C ATOM 678 OG1 THR A 73 34.941 3.199 10.136 1.00 13.05 O ATOM 679 CG2 THR A 73 37.299 3.133 9.656 1.00 16.00 C ATOM 680 HG1 THR A 73 34.842 3.853 9.399 1.00 0.00 H ATOM 681 H THR A 73 34.777 3.441 12.843 1.00 0.00 H ATOM 682 N GLN A 74 38.031 3.319 13.388 1.00 12.70 N ATOM 683 CA GLN A 74 39.331 3.388 14.044 1.00 13.31 C ATOM 684 C GLN A 74 39.539 2.192 14.961 1.00 15.38 C ATOM 685 O GLN A 74 40.638 1.630 15.020 1.00 13.01 O ATOM 686 CB GLN A 74 39.468 4.708 14.815 1.00 15.01 C ATOM 687 CG GLN A 74 40.853 4.925 15.428 1.00 14.78 C ATOM 688 CD GLN A 74 41.132 6.383 15.754 1.00 18.88 C ATOM 689 OE1 GLN A 74 40.368 7.285 15.368 1.00 18.07 O ATOM 690 NE2 GLN A 74 42.235 6.627 16.458 1.00 19.82 N ATOM 691 HE22 GLN A 74 42.844 5.840 16.759 1.00 0.00 H ATOM 692 HE21 GLN A 74 42.488 7.605 16.707 1.00 0.00 H ATOM 693 H GLN A 74 37.289 4.003 13.638 1.00 0.00 H ATOM 694 N ALA A 75 38.489 1.763 15.657 1.00 14.63 N ATOM 695 CA ALA A 75 38.623 0.591 16.510 1.00 13.12 C ATOM 696 C ALA A 75 38.858 -0.665 15.678 1.00 12.49 C ATOM 697 O ALA A 75 39.593 -1.565 16.102 1.00 14.36 O ATOM 698 CB ALA A 75 37.378 0.428 17.385 1.00 14.23 C ATOM 699 H ALA A 75 37.579 2.262 15.592 1.00 0.00 H ATOM 700 N TRP A 76 38.236 -0.750 14.497 1.00 12.20 N ATOM 701 CA TRP A 76 38.496 -1.897 13.630 1.00 11.47 C ATOM 702 C TRP A 76 39.935 -1.882 13.130 1.00 13.51 C ATOM 703 O TRP A 76 40.544 -2.946 12.968 1.00 14.09 O ATOM 704 CB TRP A 76 37.518 -1.912 12.458 1.00 12.94 C ATOM 705 CG TRP A 76 37.568 -3.206 11.676 1.00 13.71 C ATOM 706 CD1 TRP A 76 37.963 -3.361 10.386 1.00 13.01 C ATOM 707 CD2 TRP A 76 37.222 -4.517 12.154 1.00 12.67 C ATOM 708 NE1 TRP A 76 37.878 -4.694 10.018 1.00 13.34 N ATOM 709 CE2 TRP A 76 37.423 -5.418 11.088 1.00 11.89 C ATOM 710 CE3 TRP A 76 36.763 -5.011 13.377 1.00 14.51 C ATOM 711 CZ2 TRP A 76 37.184 -6.793 11.207 1.00 12.80 C ATOM 712 CZ3 TRP A 76 36.515 -6.373 13.492 1.00 14.51 C ATOM 713 CH2 TRP A 76 36.733 -7.244 12.412 1.00 12.44 C ATOM 714 HE1 TRP A 76 38.120 -5.081 9.083 1.00 0.00 H ATOM 715 H TRP A 76 37.573 -0.006 14.198 1.00 0.00 H ATOM 716 N ALA A 77 40.485 -0.691 12.880 1.00 12.98 N ATOM 717 CA ALA A 77 41.907 -0.587 12.571 1.00 14.38 C ATOM 718 C ALA A 77 42.759 -1.096 13.729 1.00 12.79 C ATOM 719 O ALA A 77 43.747 -1.812 13.511 1.00 16.15 O ATOM 720 CB ALA A 77 42.258 0.861 12.221 1.00 13.66 C ATOM 721 H ALA A 77 39.897 0.166 12.906 1.00 0.00 H ATOM 722 N VAL A 78 42.384 -0.764 14.972 1.00 13.27 N ATOM 723 CA VAL A 78 43.105 -1.302 16.127 1.00 12.72 C ATOM 724 C VAL A 78 43.007 -2.823 16.148 1.00 16.56 C ATOM 725 O VAL A 78 44.001 -3.526 16.380 1.00 15.77 O ATOM 726 CB VAL A 78 42.581 -0.689 17.443 1.00 14.13 C ATOM 727 CG1 VAL A 78 43.138 -1.445 18.646 1.00 15.35 C ATOM 728 CG2 VAL A 78 42.978 0.802 17.546 1.00 15.33 C ATOM 729 H VAL A 78 41.578 -0.122 15.117 1.00 0.00 H ATOM 730 N ALA A 79 41.796 -3.351 15.941 1.00 15.11 N ATOM 731 CA ALA A 79 41.608 -4.797 15.942 1.00 12.65 C ATOM 732 C ALA A 79 42.482 -5.462 14.888 1.00 14.84 C ATOM 733 O ALA A 79 43.094 -6.504 15.147 1.00 17.37 O ATOM 734 CB ALA A 79 40.134 -5.141 15.712 1.00 14.60 C ATOM 735 H ALA A 79 40.982 -2.725 15.778 1.00 0.00 H ATOM 736 N MET A 80 42.569 -4.867 13.695 1.00 14.64 N ATOM 737 CA MET A 80 43.412 -5.456 12.654 1.00 14.82 C ATOM 738 C MET A 80 44.891 -5.357 13.015 1.00 16.81 C ATOM 739 O MET A 80 45.663 -6.308 12.800 1.00 19.40 O ATOM 740 CB MET A 80 43.136 -4.768 11.315 1.00 17.94 C ATOM 741 CG MET A 80 41.762 -5.091 10.698 1.00 15.30 C ATOM 742 SD MET A 80 41.586 -4.414 9.035 1.00 17.72 S ATOM 743 CE MET A 80 41.461 -2.651 9.362 1.00 17.68 C ATOM 744 H MET A 80 42.041 -3.991 13.507 1.00 0.00 H ATOM 745 N ALA A 81 45.307 -4.224 13.575 1.00 15.29 N ATOM 746 CA ALA A 81 46.716 -4.055 13.929 1.00 15.80 C ATOM 747 C ALA A 81 47.146 -5.053 14.999 1.00 20.33 C ATOM 748 O ALA A 81 48.265 -5.585 14.952 1.00 21.24 O ATOM 749 CB ALA A 81 46.964 -2.622 14.405 1.00 17.44 C ATOM 750 H ALA A 81 44.629 -3.457 13.761 1.00 0.00 H ATOM 751 N LEU A 82 46.276 -5.310 15.974 1.00 20.14 N ATOM 752 CA LEU A 82 46.565 -6.223 17.065 1.00 22.12 C ATOM 753 C LEU A 82 46.234 -7.667 16.735 1.00 18.17 C ATOM 754 O LEU A 82 46.608 -8.557 17.506 1.00 21.61 O ATOM 755 CB LEU A 82 45.786 -5.812 18.321 1.00 18.73 C ATOM 756 CG LEU A 82 46.138 -4.422 18.866 1.00 19.62 C ATOM 757 CD1 LEU A 82 45.374 -4.161 20.163 1.00 23.75 C ATOM 758 CD2 LEU A 82 47.643 -4.288 19.092 1.00 25.45 C ATOM 759 H LEU A 82 45.350 -4.837 15.953 1.00 0.00 H ATOM 760 N GLY A 83 45.541 -7.913 15.627 1.00 16.14 N ATOM 761 CA GLY A 83 45.105 -9.253 15.258 1.00 17.03 C ATOM 762 C GLY A 83 44.049 -9.841 16.169 1.00 20.26 C ATOM 763 O GLY A 83 44.046 -11.057 16.400 1.00 22.21 O ATOM 764 H GLY A 83 45.301 -7.119 15.000 1.00 0.00 H ATOM 765 N VAL A 84 43.143 -9.010 16.691 1.00 17.55 N ATOM 766 CA VAL A 84 42.142 -9.474 17.645 1.00 17.44 C ATOM 767 C VAL A 84 40.720 -9.385 17.086 1.00 19.24 C ATOM 768 O VAL A 84 39.759 -9.356 17.861 1.00 18.13 O ATOM 769 CB VAL A 84 42.242 -8.715 18.982 1.00 16.40 C ATOM 770 CG1 VAL A 84 43.583 -8.971 19.671 1.00 18.41 C ATOM 771 CG2 VAL A 84 41.983 -7.216 18.766 1.00 17.95 C ATOM 772 H VAL A 84 43.151 -8.009 16.411 1.00 0.00 H ATOM 773 N GLU A 85 40.567 -9.358 15.755 1.00 15.90 N ATOM 774 CA GLU A 85 39.235 -9.276 15.152 1.00 15.77 C ATOM 775 C GLU A 85 38.294 -10.341 15.704 1.00 16.56 C ATOM 776 O GLU A 85 37.138 -10.056 16.037 1.00 17.25 O ATOM 777 CB GLU A 85 39.335 -9.416 13.632 1.00 17.35 C ATOM 778 CG GLU A 85 40.212 -8.360 12.956 1.00 19.10 C ATOM 779 CD GLU A 85 41.614 -8.870 12.642 1.00 20.28 C ATOM 780 OE1 GLU A 85 42.210 -9.559 13.504 1.00 17.65 O ATOM 781 OE2 GLU A 85 42.124 -8.586 11.530 1.00 20.07 O ATOM 782 H GLU A 85 41.406 -9.396 15.142 1.00 0.00 H ATOM 783 N ASP A 86 38.766 -11.581 15.798 1.00 17.71 N ATOM 784 CA ASP A 86 37.872 -12.654 16.221 1.00 19.17 C ATOM 785 C ASP A 86 37.434 -12.505 17.670 1.00 20.06 C ATOM 786 O ASP A 86 36.392 -13.047 18.045 1.00 25.79 O ATOM 787 CB ASP A 86 38.541 -14.017 16.028 1.00 20.03 C ATOM 788 CG ASP A 86 38.688 -14.397 14.567 1.00 30.19 C ATOM 789 OD1 ASP A 86 38.162 -13.679 13.697 1.00 30.72 O ATOM 790 OD2 ASP A 86 39.348 -15.417 14.287 1.00 35.23 O ATOM 791 H ASP A 86 39.761 -11.784 15.573 1.00 0.00 H ATOM 792 N LYS A 87 38.194 -11.780 18.486 1.00 18.01 N ATOM 793 CA LYS A 87 37.844 -11.578 19.884 1.00 18.04 C ATOM 794 C LYS A 87 36.838 -10.450 20.088 1.00 17.53 C ATOM 795 O LYS A 87 36.139 -10.449 21.108 1.00 20.35 O ATOM 796 CB LYS A 87 39.097 -11.269 20.703 1.00 18.53 C ATOM 797 CG LYS A 87 40.085 -12.430 20.792 1.00 26.87 C ATOM 798 CD LYS A 87 41.325 -12.037 21.583 1.00 27.21 C ATOM 799 CE LYS A 87 42.219 -13.255 21.810 1.00 33.41 C ATOM 800 NZ LYS A 87 43.476 -12.875 22.512 1.00 37.12 N ATOM 801 HZ1 LYS A 87 43.997 -12.182 21.937 1.00 0.00 H ATOM 802 HZ2 LYS A 87 43.243 -12.456 23.435 1.00 0.00 H ATOM 803 HZ3 LYS A 87 44.063 -13.722 22.652 1.00 0.00 H ATOM 804 H LYS A 87 39.063 -11.345 18.115 1.00 0.00 H ATOM 805 N VAL A 88 36.764 -9.484 19.171 1.00 15.21 N ATOM 806 CA VAL A 88 35.942 -8.299 19.404 1.00 13.60 C ATOM 807 C VAL A 88 34.756 -8.171 18.459 1.00 15.04 C ATOM 808 O VAL A 88 33.883 -7.326 18.718 1.00 14.78 O ATOM 809 CB VAL A 88 36.780 -7.004 19.353 1.00 14.01 C ATOM 810 CG1 VAL A 88 37.852 -7.022 20.432 1.00 15.70 C ATOM 811 CG2 VAL A 88 37.411 -6.805 17.955 1.00 14.07 C ATOM 812 H VAL A 88 37.296 -9.575 18.282 1.00 0.00 H ATOM 813 N THR A 89 34.681 -8.962 17.381 1.00 13.51 N ATOM 814 CA THR A 89 33.625 -8.740 16.395 1.00 13.47 C ATOM 815 C THR A 89 32.252 -8.928 17.006 1.00 13.62 C ATOM 816 O THR A 89 31.381 -8.063 16.866 1.00 13.91 O ATOM 817 CB THR A 89 33.786 -9.668 15.198 1.00 15.92 C ATOM 818 OG1 THR A 89 34.989 -9.323 14.494 1.00 19.97 O ATOM 819 CG2 THR A 89 32.606 -9.493 14.254 1.00 16.11 C ATOM 820 HG1 THR A 89 35.765 -9.423 15.100 1.00 0.00 H ATOM 821 H THR A 89 35.370 -9.729 17.246 1.00 0.00 H ATOM 822 N VAL A 90 32.029 -10.063 17.655 1.00 13.40 N ATOM 823 CA VAL A 90 30.710 -10.356 18.210 1.00 14.04 C ATOM 824 C VAL A 90 30.380 -9.383 19.342 1.00 14.95 C ATOM 825 O VAL A 90 29.279 -8.822 19.338 1.00 13.96 O ATOM 826 CB VAL A 90 30.610 -11.826 18.645 1.00 15.13 C ATOM 827 CG1 VAL A 90 29.369 -12.043 19.522 1.00 22.30 C ATOM 828 CG2 VAL A 90 30.537 -12.712 17.408 1.00 19.41 C ATOM 829 H VAL A 90 32.801 -10.751 17.770 1.00 0.00 H ATOM 830 N PRO A 91 31.264 -9.112 20.311 1.00 14.32 N ATOM 831 CA PRO A 91 30.884 -8.131 21.345 1.00 16.25 C ATOM 832 C PRO A 91 30.654 -6.733 20.809 1.00 14.27 C ATOM 833 O PRO A 91 29.826 -6.004 21.380 1.00 15.15 O ATOM 834 CB PRO A 91 32.056 -8.173 22.342 1.00 22.27 C ATOM 835 CG PRO A 91 33.129 -8.922 21.670 1.00 27.41 C ATOM 836 CD PRO A 91 32.472 -9.861 20.709 1.00 16.50 C ATOM 837 N LEU A 92 31.358 -6.321 19.742 1.00 13.30 N ATOM 838 CA LEU A 92 31.064 -5.009 19.161 1.00 13.36 C ATOM 839 C LEU A 92 29.689 -4.998 18.485 1.00 12.73 C ATOM 840 O LEU A 92 28.915 -4.052 18.667 1.00 14.49 O ATOM 841 CB LEU A 92 32.159 -4.586 18.177 1.00 13.40 C ATOM 842 CG LEU A 92 33.480 -4.153 18.847 1.00 11.49 C ATOM 843 CD1 LEU A 92 34.602 -3.949 17.816 1.00 12.76 C ATOM 844 CD2 LEU A 92 33.328 -2.912 19.711 1.00 13.88 C ATOM 845 H LEU A 92 32.101 -6.924 19.335 1.00 0.00 H ATOM 846 N PHE A 93 29.380 -6.023 17.678 1.00 14.28 N ATOM 847 CA PHE A 93 28.045 -6.128 17.081 1.00 14.07 C ATOM 848 C PHE A 93 26.964 -6.115 18.152 1.00 16.77 C ATOM 849 O PHE A 93 25.961 -5.406 18.024 1.00 15.64 O ATOM 850 CB PHE A 93 27.914 -7.405 16.247 1.00 14.96 C ATOM 851 CG PHE A 93 28.207 -7.215 14.787 1.00 11.82 C ATOM 852 CD1 PHE A 93 27.459 -6.329 14.017 1.00 13.54 C ATOM 853 CD2 PHE A 93 29.254 -7.908 14.191 1.00 13.70 C ATOM 854 CE1 PHE A 93 27.745 -6.144 12.671 1.00 14.36 C ATOM 855 CE2 PHE A 93 29.539 -7.747 12.845 1.00 15.81 C ATOM 856 CZ PHE A 93 28.782 -6.869 12.073 1.00 12.86 C ATOM 857 H PHE A 93 30.094 -6.751 17.473 1.00 0.00 H ATOM 858 N GLU A 94 27.148 -6.899 19.222 1.00 14.09 N ATOM 859 CA GLU A 94 26.110 -6.970 20.247 1.00 16.61 C ATOM 860 C GLU A 94 26.034 -5.677 21.051 1.00 17.24 C ATOM 861 O GLU A 94 24.937 -5.209 21.372 1.00 16.75 O ATOM 862 CB GLU A 94 26.342 -8.192 21.138 1.00 18.36 C ATOM 863 CG GLU A 94 26.245 -9.471 20.299 1.00 23.14 C ATOM 864 CD GLU A 94 26.153 -10.745 21.102 1.00 30.05 C ATOM 865 OE1 GLU A 94 26.349 -10.697 22.331 1.00 28.40 O ATOM 866 OE2 GLU A 94 25.897 -11.805 20.480 1.00 28.11 O ATOM 867 H GLU A 94 28.023 -7.453 19.322 1.00 0.00 H ATOM 868 N GLY A 95 27.182 -5.059 21.340 1.00 14.69 N ATOM 869 CA GLY A 95 27.166 -3.790 22.052 1.00 15.01 C ATOM 870 C GLY A 95 26.449 -2.694 21.285 1.00 13.97 C ATOM 871 O GLY A 95 25.750 -1.865 21.882 1.00 16.88 O ATOM 872 H GLY A 95 28.087 -5.485 21.056 1.00 0.00 H ATOM 873 N VAL A 96 26.598 -2.672 19.956 1.00 13.83 N ATOM 874 CA VAL A 96 25.943 -1.633 19.165 1.00 11.57 C ATOM 875 C VAL A 96 24.469 -1.969 18.935 1.00 16.85 C ATOM 876 O VAL A 96 23.590 -1.113 19.111 1.00 17.60 O ATOM 877 CB VAL A 96 26.681 -1.398 17.833 1.00 16.56 C ATOM 878 CG1 VAL A 96 25.863 -0.450 16.936 1.00 16.56 C ATOM 879 CG2 VAL A 96 28.074 -0.822 18.085 1.00 17.04 C ATOM 880 H VAL A 96 27.180 -3.394 19.486 1.00 0.00 H ATOM 881 N GLN A 97 24.165 -3.205 18.548 1.00 14.50 N ATOM 882 CA GLN A 97 22.817 -3.496 18.053 1.00 15.26 C ATOM 883 C GLN A 97 21.943 -4.254 19.031 1.00 15.92 C ATOM 884 O GLN A 97 20.716 -4.103 18.978 1.00 16.47 O ATOM 885 CB GLN A 97 22.874 -4.295 16.744 1.00 14.28 C ATOM 886 CG GLN A 97 23.494 -3.508 15.583 1.00 16.63 C ATOM 887 CD GLN A 97 23.324 -4.192 14.225 1.00 15.18 C ATOM 888 OE1 GLN A 97 22.254 -4.702 13.900 1.00 16.41 O ATOM 889 NE2 GLN A 97 24.387 -4.183 13.420 1.00 15.19 N ATOM 890 HE22 GLN A 97 25.274 -3.740 13.735 1.00 0.00 H ATOM 891 HE21 GLN A 97 24.329 -4.619 12.477 1.00 0.00 H ATOM 892 H GLN A 97 24.879 -3.959 18.596 1.00 0.00 H ATOM 893 N LYS A 98 22.507 -5.067 19.918 1.00 14.48 N ATOM 894 CA LYS A 98 21.665 -5.879 20.790 1.00 14.84 C ATOM 895 C LYS A 98 21.446 -5.225 22.153 1.00 17.39 C ATOM 896 O LYS A 98 20.303 -4.930 22.530 1.00 19.30 O ATOM 897 CB LYS A 98 22.262 -7.286 20.951 1.00 14.58 C ATOM 898 CG LYS A 98 21.343 -8.186 21.789 1.00 16.45 C ATOM 899 CD LYS A 98 21.887 -9.600 21.877 1.00 21.85 C ATOM 900 CE LYS A 98 20.992 -10.461 22.765 1.00 28.56 C ATOM 901 NZ LYS A 98 21.586 -11.823 22.938 1.00 39.94 N ATOM 902 HZ1 LYS A 98 21.681 -12.279 22.008 1.00 0.00 H ATOM 903 HZ2 LYS A 98 22.523 -11.738 23.381 1.00 0.00 H ATOM 904 HZ3 LYS A 98 20.965 -12.396 23.544 1.00 0.00 H ATOM 905 H LYS A 98 23.543 -5.124 19.990 1.00 0.00 H ATOM 906 N THR A 99 22.528 -4.975 22.900 1.00 19.04 N ATOM 907 CA THR A 99 22.400 -4.342 24.207 1.00 15.33 C ATOM 908 C THR A 99 22.422 -2.825 24.123 1.00 18.40 C ATOM 909 O THR A 99 21.935 -2.161 25.054 1.00 21.37 O ATOM 910 CB THR A 99 23.511 -4.816 25.150 1.00 18.84 C ATOM 911 OG1 THR A 99 24.774 -4.446 24.595 1.00 17.78 O ATOM 912 CG2 THR A 99 23.464 -6.329 25.297 1.00 21.03 C ATOM 913 HG1 THR A 99 25.499 -4.748 25.197 1.00 0.00 H ATOM 914 H THR A 99 23.470 -5.235 22.544 1.00 0.00 H ATOM 915 N GLN A 100 22.953 -2.266 23.033 1.00 17.61 N ATOM 916 CA GLN A 100 23.041 -0.814 22.859 1.00 19.12 C ATOM 917 C GLN A 100 23.757 -0.179 24.046 1.00 22.26 C ATOM 918 O GLN A 100 23.336 0.846 24.597 1.00 27.89 O ATOM 919 CB GLN A 100 21.652 -0.204 22.638 1.00 17.27 C ATOM 920 CG GLN A 100 21.051 -0.617 21.299 1.00 19.74 C ATOM 921 CD GLN A 100 19.819 0.177 20.932 1.00 21.75 C ATOM 922 OE1 GLN A 100 19.323 0.982 21.718 1.00 32.20 O ATOM 923 NE2 GLN A 100 19.294 -0.076 19.743 1.00 30.11 N ATOM 924 HE22 GLN A 100 19.748 -0.765 19.110 1.00 0.00 H ATOM 925 HE21 GLN A 100 18.428 0.415 19.442 1.00 0.00 H ATOM 926 H GLN A 100 23.317 -2.884 22.280 1.00 0.00 H ATOM 927 N THR A 101 24.835 -0.832 24.466 1.00 20.84 N ATOM 928 CA THR A 101 25.694 -0.354 25.532 1.00 20.20 C ATOM 929 C THR A 101 26.907 0.391 24.996 1.00 21.58 C ATOM 930 O THR A 101 27.704 0.897 25.789 1.00 24.56 O ATOM 931 CB THR A 101 26.147 -1.528 26.407 1.00 24.51 C ATOM 932 OG1 THR A 101 26.566 -2.615 25.564 1.00 24.40 O ATOM 933 CG2 THR A 101 25.007 -1.991 27.305 1.00 28.87 C ATOM 934 HG1 THR A 101 25.809 -2.899 24.993 1.00 0.00 H ATOM 935 H THR A 101 25.075 -1.733 24.006 1.00 0.00 H ATOM 936 N ILE A 102 27.072 0.456 23.677 1.00 18.18 N ATOM 937 CA ILE A 102 28.181 1.178 23.059 1.00 19.05 C ATOM 938 C ILE A 102 27.666 2.537 22.602 1.00 22.22 C ATOM 939 O ILE A 102 26.934 2.641 21.612 1.00 23.81 O ATOM 940 CB ILE A 102 28.796 0.382 21.900 1.00 17.15 C ATOM 941 CG1 ILE A 102 29.427 -0.902 22.440 1.00 22.27 C ATOM 942 CG2 ILE A 102 29.820 1.262 21.152 1.00 22.44 C ATOM 943 CD1 ILE A 102 30.144 -1.735 21.371 1.00 19.17 C ATOM 944 H ILE A 102 26.385 -0.026 23.063 1.00 0.00 H ATOM 945 N ARG A 103 28.033 3.588 23.334 1.00 18.04 N ATOM 946 CA ARG A 103 27.584 4.932 23.017 1.00 21.42 C ATOM 947 C ARG A 103 28.727 5.923 22.882 1.00 26.27 C ATOM 948 O ARG A 103 28.480 7.091 22.563 1.00 30.60 O ATOM 949 CB ARG A 103 26.597 5.427 24.083 1.00 29.12 C ATOM 950 CG ARG A 103 25.402 4.507 24.276 1.00 31.14 C ATOM 951 CD ARG A 103 24.439 5.071 25.307 1.00 41.98 C ATOM 952 NE ARG A 103 23.581 4.028 25.859 1.00 56.13 N ATOM 953 CZ ARG A 103 23.902 3.287 26.914 1.00 65.15 C ATOM 954 NH1 ARG A 103 25.063 3.481 27.527 1.00 67.59 N ATOM 955 NH2 ARG A 103 23.064 2.355 27.358 1.00 67.07 N ATOM 956 HE ARG A 103 22.664 3.854 25.400 1.00 0.00 H ATOM 957 HH12 ARG A 103 25.318 2.903 28.353 1.00 0.00 H ATOM 958 HH11 ARG A 103 25.718 4.211 27.181 1.00 0.00 H ATOM 959 HH22 ARG A 103 23.319 1.777 28.184 1.00 0.00 H ATOM 960 HH21 ARG A 103 22.153 2.204 26.879 1.00 0.00 H ATOM 961 H ARG A 103 28.657 3.442 24.153 1.00 0.00 H ATOM 962 N SER A 104 29.965 5.495 23.096 1.00 20.87 N ATOM 963 CA SER A 104 31.091 6.418 23.103 1.00 20.58 C ATOM 964 C SER A 104 32.342 5.627 22.773 1.00 20.62 C ATOM 965 O SER A 104 32.345 4.394 22.809 1.00 19.58 O ATOM 966 CB SER A 104 31.242 7.104 24.461 1.00 27.02 C ATOM 967 OG SER A 104 31.666 6.167 25.437 1.00 23.99 O ATOM 968 HG SER A 104 31.760 6.622 26.311 1.00 0.00 H ATOM 969 H SER A 104 30.134 4.482 23.262 1.00 0.00 H ATOM 970 N ALA A 105 33.414 6.356 22.463 1.00 19.93 N ATOM 971 CA ALA A 105 34.694 5.695 22.230 1.00 19.69 C ATOM 972 C ALA A 105 35.156 4.939 23.475 1.00 19.42 C ATOM 973 O ALA A 105 35.755 3.859 23.374 1.00 17.50 O ATOM 974 CB ALA A 105 35.739 6.721 21.793 1.00 20.34 C ATOM 975 H ALA A 105 33.339 7.391 22.388 1.00 0.00 H ATOM 976 N SER A 106 34.848 5.466 24.663 1.00 17.92 N ATOM 977 CA SER A 106 35.206 4.759 25.892 1.00 17.66 C ATOM 978 C SER A 106 34.500 3.406 25.985 1.00 19.90 C ATOM 979 O SER A 106 35.097 2.415 26.427 1.00 16.34 O ATOM 980 CB SER A 106 34.879 5.628 27.107 1.00 24.97 C ATOM 981 OG SER A 106 35.219 4.974 28.321 1.00 27.82 O ATOM 982 HG SER A 106 34.709 4.129 28.393 1.00 0.00 H ATOM 983 H SER A 106 34.353 6.379 24.714 1.00 0.00 H ATOM 984 N ASP A 107 33.232 3.342 25.569 1.00 18.06 N ATOM 985 CA ASP A 107 32.511 2.067 25.598 1.00 15.73 C ATOM 986 C ASP A 107 33.123 1.061 24.635 1.00 16.95 C ATOM 987 O ASP A 107 33.118 -0.152 24.904 1.00 17.38 O ATOM 988 CB ASP A 107 31.034 2.268 25.254 1.00 18.09 C ATOM 989 CG ASP A 107 30.310 3.161 26.247 1.00 22.08 C ATOM 990 OD1 ASP A 107 30.732 3.262 27.428 1.00 24.86 O ATOM 991 OD2 ASP A 107 29.295 3.763 25.835 1.00 21.62 O ATOM 992 H ASP A 107 32.756 4.200 25.224 1.00 0.00 H ATOM 993 N ILE A 108 33.622 1.537 23.492 1.00 14.99 N ATOM 994 CA ILE A 108 34.305 0.645 22.565 1.00 12.90 C ATOM 995 C ILE A 108 35.547 0.075 23.227 1.00 16.54 C ATOM 996 O ILE A 108 35.802 -1.133 23.175 1.00 18.54 O ATOM 997 CB ILE A 108 34.658 1.381 21.263 1.00 14.83 C ATOM 998 CG1 ILE A 108 33.390 1.794 20.505 1.00 15.57 C ATOM 999 CG2 ILE A 108 35.551 0.481 20.407 1.00 15.54 C ATOM 1000 CD1 ILE A 108 33.653 2.827 19.384 1.00 18.34 C ATOM 1001 H ILE A 108 33.523 2.547 23.263 1.00 0.00 H ATOM 1002 N ARG A 109 36.340 0.947 23.853 1.00 16.49 N ATOM 1003 CA ARG A 109 37.534 0.508 24.570 1.00 13.29 C ATOM 1004 C ARG A 109 37.192 -0.545 25.616 1.00 17.89 C ATOM 1005 O ARG A 109 37.918 -1.537 25.765 1.00 18.15 O ATOM 1006 CB ARG A 109 38.208 1.708 25.218 1.00 16.91 C ATOM 1007 CG ARG A 109 39.508 1.413 25.943 1.00 15.62 C ATOM 1008 CD ARG A 109 40.109 2.706 26.474 1.00 19.40 C ATOM 1009 NE ARG A 109 41.369 2.513 27.194 1.00 19.75 N ATOM 1010 CZ ARG A 109 41.447 2.132 28.464 1.00 23.16 C ATOM 1011 NH1 ARG A 109 40.333 1.880 29.144 1.00 20.08 N ATOM 1012 NH2 ARG A 109 42.634 1.998 29.045 1.00 23.40 N ATOM 1013 HE ARG A 109 42.257 2.685 26.680 1.00 0.00 H ATOM 1014 HH12 ARG A 109 40.387 1.581 30.139 1.00 0.00 H ATOM 1015 HH11 ARG A 109 39.407 1.982 28.681 1.00 0.00 H ATOM 1016 HH22 ARG A 109 42.696 1.700 30.039 1.00 0.00 H ATOM 1017 HH21 ARG A 109 43.502 2.191 28.505 1.00 0.00 H ATOM 1018 H ARG A 109 36.103 1.959 23.830 1.00 0.00 H ATOM 1019 N ASP A 110 36.070 -0.365 26.316 1.00 18.15 N ATOM 1020 CA ASP A 110 35.642 -1.354 27.310 1.00 19.08 C ATOM 1021 C ASP A 110 35.497 -2.744 26.697 1.00 21.12 C ATOM 1022 O ASP A 110 35.824 -3.749 27.343 1.00 20.01 O ATOM 1023 CB ASP A 110 34.318 -0.937 27.949 1.00 17.20 C ATOM 1024 CG ASP A 110 34.461 0.202 28.943 1.00 19.41 C ATOM 1025 OD1 ASP A 110 35.600 0.527 29.360 1.00 21.53 O ATOM 1026 OD2 ASP A 110 33.412 0.785 29.307 1.00 23.59 O ATOM 1027 H ASP A 110 35.493 0.485 26.155 1.00 0.00 H ATOM 1028 N VAL A 111 34.985 -2.828 25.461 1.00 18.52 N ATOM 1029 CA VAL A 111 34.829 -4.130 24.810 1.00 18.81 C ATOM 1030 C VAL A 111 36.180 -4.804 24.652 1.00 17.99 C ATOM 1031 O VAL A 111 36.320 -6.009 24.885 1.00 19.18 O ATOM 1032 CB VAL A 111 34.116 -3.973 23.451 1.00 18.34 C ATOM 1033 CG1 VAL A 111 34.261 -5.244 22.604 1.00 21.58 C ATOM 1034 CG2 VAL A 111 32.651 -3.637 23.665 1.00 21.32 C ATOM 1035 H VAL A 111 34.697 -1.963 24.961 1.00 0.00 H ATOM 1036 N PHE A 112 37.199 -4.036 24.251 1.00 16.72 N ATOM 1037 CA PHE A 112 38.531 -4.606 24.083 1.00 15.81 C ATOM 1038 C PHE A 112 39.129 -5.027 25.420 1.00 17.81 C ATOM 1039 O PHE A 112 39.759 -6.089 25.513 1.00 21.01 O ATOM 1040 CB PHE A 112 39.452 -3.596 23.387 1.00 15.08 C ATOM 1041 CG PHE A 112 39.236 -3.483 21.894 1.00 17.78 C ATOM 1042 CD1 PHE A 112 38.101 -2.867 21.381 1.00 15.55 C ATOM 1043 CD2 PHE A 112 40.188 -3.963 21.012 1.00 15.24 C ATOM 1044 CE1 PHE A 112 37.910 -2.735 20.010 1.00 17.35 C ATOM 1045 CE2 PHE A 112 40.014 -3.834 19.636 1.00 16.19 C ATOM 1046 CZ PHE A 112 38.871 -3.223 19.137 1.00 16.56 C ATOM 1047 H PHE A 112 37.041 -3.026 24.058 1.00 0.00 H ATOM 1048 N ILE A 113 38.946 -4.202 26.459 1.00 17.39 N ATOM 1049 CA ILE A 113 39.438 -4.538 27.799 1.00 16.66 C ATOM 1050 C ILE A 113 38.818 -5.848 28.276 1.00 20.73 C ATOM 1051 O ILE A 113 39.512 -6.747 28.761 1.00 22.92 O ATOM 1052 CB ILE A 113 39.130 -3.398 28.791 1.00 21.10 C ATOM 1053 CG1 ILE A 113 39.815 -2.087 28.392 1.00 25.83 C ATOM 1054 CG2 ILE A 113 39.543 -3.793 30.216 1.00 23.41 C ATOM 1055 CD1 ILE A 113 41.289 -2.132 28.505 1.00 28.25 C ATOM 1056 H ILE A 113 38.444 -3.303 26.312 1.00 0.00 H ATOM 1057 N ASN A 114 37.493 -5.961 28.151 1.00 19.48 N ATOM 1058 CA ASN A 114 36.786 -7.177 28.556 1.00 20.80 C ATOM 1059 C ASN A 114 37.262 -8.393 27.767 1.00 22.37 C ATOM 1060 O ASN A 114 37.258 -9.516 28.286 1.00 25.36 O ATOM 1061 CB ASN A 114 35.279 -6.970 28.372 1.00 20.66 C ATOM 1062 CG ASN A 114 34.444 -8.115 28.937 1.00 22.41 C ATOM 1063 OD1 ASN A 114 34.598 -8.507 30.091 1.00 27.53 O ATOM 1064 ND2 ASN A 114 33.562 -8.659 28.106 1.00 27.57 N ATOM 1065 HD22 ASN A 114 33.466 -8.294 27.137 1.00 0.00 H ATOM 1066 HD21 ASN A 114 32.967 -9.450 28.424 1.00 0.00 H ATOM 1067 H ASN A 114 36.951 -5.166 27.757 1.00 0.00 H ATOM 1068 N ALA A 115 37.654 -8.197 26.509 1.00 21.47 N ATOM 1069 CA ALA A 115 38.137 -9.290 25.681 1.00 25.28 C ATOM 1070 C ALA A 115 39.596 -9.628 25.947 1.00 27.02 C ATOM 1071 O ALA A 115 40.145 -10.503 25.270 1.00 32.64 O ATOM 1072 CB ALA A 115 37.932 -8.956 24.202 1.00 20.98 C ATOM 1073 H ALA A 115 37.613 -7.238 26.109 1.00 0.00 H ATOM 1074 N GLY A 116 40.237 -8.965 26.906 1.00 27.39 N ATOM 1075 CA GLY A 116 41.593 -9.294 27.292 1.00 27.26 C ATOM 1076 C GLY A 116 42.709 -8.493 26.649 1.00 29.21 C ATOM 1077 O GLY A 116 43.879 -8.843 26.839 1.00 27.56 O ATOM 1078 H GLY A 116 39.749 -8.187 27.393 1.00 0.00 H ATOM 1079 N ILE A 117 42.399 -7.445 25.893 1.00 24.71 N ATOM 1080 CA ILE A 117 43.439 -6.547 25.396 1.00 22.93 C ATOM 1081 C ILE A 117 43.801 -5.567 26.508 1.00 21.39 C ATOM 1082 O ILE A 117 42.923 -4.950 27.123 1.00 23.79 O ATOM 1083 CB ILE A 117 42.977 -5.803 24.128 1.00 21.81 C ATOM 1084 CG1 ILE A 117 42.838 -6.760 22.936 1.00 25.84 C ATOM 1085 CG2 ILE A 117 43.979 -4.706 23.775 1.00 23.52 C ATOM 1086 CD1 ILE A 117 41.508 -7.480 22.837 1.00 26.21 C ATOM 1087 H ILE A 117 41.404 -7.262 25.652 1.00 0.00 H ATOM 1088 N LYS A 118 45.094 -5.438 26.791 1.00 22.39 N ATOM 1089 CA LYS A 118 45.524 -4.551 27.863 1.00 27.97 C ATOM 1090 C LYS A 118 45.238 -3.094 27.503 1.00 20.19 C ATOM 1091 O LYS A 118 45.346 -2.684 26.344 1.00 23.29 O ATOM 1092 CB LYS A 118 47.015 -4.742 28.148 1.00 34.95 C ATOM 1093 CG LYS A 118 47.384 -6.123 28.694 1.00 40.33 C ATOM 1094 CD LYS A 118 48.806 -6.126 29.257 1.00 53.19 C ATOM 1095 CE LYS A 118 49.167 -7.460 29.906 1.00 57.98 C ATOM 1096 NZ LYS A 118 49.697 -8.451 28.923 1.00 63.11 N ATOM 1097 HZ1 LYS A 118 48.978 -8.634 28.195 1.00 0.00 H ATOM 1098 HZ2 LYS A 118 50.555 -8.069 28.476 1.00 0.00 H ATOM 1099 HZ3 LYS A 118 49.926 -9.338 29.416 1.00 0.00 H ATOM 1100 H LYS A 118 45.800 -5.972 26.245 1.00 0.00 H ATOM 1101 N GLY A 119 44.882 -2.305 28.522 1.00 20.74 N ATOM 1102 CA GLY A 119 44.564 -0.902 28.288 1.00 25.77 C ATOM 1103 C GLY A 119 45.687 -0.149 27.602 1.00 29.20 C ATOM 1104 O GLY A 119 45.461 0.590 26.636 1.00 26.42 O ATOM 1105 H GLY A 119 44.832 -2.694 29.485 1.00 0.00 H ATOM 1106 N GLU A 120 46.918 -0.337 28.083 1.00 24.32 N ATOM 1107 CA GLU A 120 48.068 0.348 27.491 1.00 27.88 C ATOM 1108 C GLU A 120 48.248 -0.035 26.029 1.00 27.45 C ATOM 1109 O GLU A 120 48.552 0.821 25.191 1.00 31.49 O ATOM 1110 CB GLU A 120 49.348 0.029 28.266 1.00 34.76 C ATOM 1111 CG GLU A 120 50.583 0.735 27.682 1.00 60.60 C ATOM 1112 CD GLU A 120 51.822 -0.150 27.618 1.00 78.83 C ATOM 1113 OE1 GLU A 120 51.978 -1.031 28.492 1.00 86.28 O ATOM 1114 OE2 GLU A 120 52.640 0.035 26.687 1.00 79.49 O ATOM 1115 H GLU A 120 47.062 -0.979 28.889 1.00 0.00 H ATOM 1116 N GLU A 121 48.082 -1.326 25.713 1.00 26.94 N ATOM 1117 CA GLU A 121 48.208 -1.792 24.336 1.00 25.41 C ATOM 1118 C GLU A 121 47.123 -1.204 23.447 1.00 21.68 C ATOM 1119 O GLU A 121 47.400 -0.783 22.317 1.00 21.00 O ATOM 1120 CB GLU A 121 48.156 -3.316 24.289 1.00 34.61 C ATOM 1121 CG GLU A 121 49.505 -3.980 24.481 1.00 55.80 C ATOM 1122 CD GLU A 121 49.413 -5.492 24.465 1.00 74.56 C ATOM 1123 OE1 GLU A 121 50.292 -6.143 25.069 1.00 83.30 O ATOM 1124 OE2 GLU A 121 48.458 -6.027 23.856 1.00 76.13 O ATOM 1125 H GLU A 121 47.859 -2.010 26.464 1.00 0.00 H ATOM 1126 N TYR A 122 45.876 -1.185 23.926 1.00 20.94 N ATOM 1127 CA TYR A 122 44.802 -0.574 23.148 1.00 16.79 C ATOM 1128 C TYR A 122 45.077 0.899 22.889 1.00 20.50 C ATOM 1129 O TYR A 122 44.981 1.370 21.750 1.00 19.45 O ATOM 1130 CB TYR A 122 43.458 -0.729 23.867 1.00 20.95 C ATOM 1131 CG TYR A 122 42.293 -0.168 23.076 1.00 17.22 C ATOM 1132 CD1 TYR A 122 41.645 -0.947 22.125 1.00 14.79 C ATOM 1133 CD2 TYR A 122 41.844 1.137 23.277 1.00 18.87 C ATOM 1134 CE1 TYR A 122 40.593 -0.461 21.387 1.00 17.89 C ATOM 1135 CE2 TYR A 122 40.791 1.637 22.548 1.00 17.13 C ATOM 1136 CZ TYR A 122 40.162 0.835 21.603 1.00 16.19 C ATOM 1137 OH TYR A 122 39.097 1.302 20.865 1.00 17.45 O ATOM 1138 HH TYR A 122 38.360 1.557 21.475 1.00 0.00 H ATOM 1139 H TYR A 122 45.670 -1.606 24.854 1.00 0.00 H ATOM 1140 N ASP A 123 45.393 1.647 23.946 1.00 21.52 N ATOM 1141 CA ASP A 123 45.589 3.085 23.802 1.00 19.48 C ATOM 1142 C ASP A 123 46.764 3.401 22.885 1.00 22.66 C ATOM 1143 O ASP A 123 46.686 4.332 22.072 1.00 23.27 O ATOM 1144 CB ASP A 123 45.786 3.721 25.179 1.00 24.30 C ATOM 1145 CG ASP A 123 44.570 3.553 26.071 1.00 26.11 C ATOM 1146 OD1 ASP A 123 43.475 3.307 25.530 1.00 23.59 O ATOM 1147 OD2 ASP A 123 44.703 3.686 27.303 1.00 26.10 O ATOM 1148 H ASP A 123 45.501 1.202 24.880 1.00 0.00 H ATOM 1149 N ALA A 124 47.860 2.641 23.002 1.00 22.31 N ATOM 1150 CA ALA A 124 49.015 2.876 22.135 1.00 23.15 C ATOM 1151 C ALA A 124 48.660 2.626 20.671 1.00 24.83 C ATOM 1152 O ALA A 124 49.065 3.390 19.783 1.00 24.83 O ATOM 1153 CB ALA A 124 50.190 2.000 22.568 1.00 27.92 C ATOM 1154 H ALA A 124 47.891 1.881 23.711 1.00 0.00 H ATOM 1155 N ALA A 125 47.911 1.554 20.399 1.00 19.56 N ATOM 1156 CA ALA A 125 47.457 1.313 19.034 1.00 20.95 C ATOM 1157 C ALA A 125 46.512 2.414 18.574 1.00 19.68 C ATOM 1158 O ALA A 125 46.645 2.924 17.457 1.00 18.82 O ATOM 1159 CB ALA A 125 46.771 -0.054 18.935 1.00 21.02 C ATOM 1160 H ALA A 125 47.652 0.893 21.159 1.00 0.00 H ATOM 1161 N TRP A 126 45.550 2.788 19.423 1.00 18.99 N ATOM 1162 CA TRP A 126 44.546 3.775 19.026 1.00 19.61 C ATOM 1163 C TRP A 126 45.195 5.067 18.544 1.00 18.66 C ATOM 1164 O TRP A 126 44.724 5.684 17.580 1.00 19.32 O ATOM 1165 CB TRP A 126 43.608 4.058 20.196 1.00 17.94 C ATOM 1166 CG TRP A 126 42.551 5.084 19.892 1.00 17.28 C ATOM 1167 CD1 TRP A 126 42.662 6.438 20.033 1.00 21.51 C ATOM 1168 CD2 TRP A 126 41.226 4.839 19.404 1.00 15.62 C ATOM 1169 NE1 TRP A 126 41.487 7.053 19.659 1.00 25.29 N ATOM 1170 CE2 TRP A 126 40.590 6.094 19.267 1.00 23.73 C ATOM 1171 CE3 TRP A 126 40.519 3.687 19.070 1.00 14.55 C ATOM 1172 CZ2 TRP A 126 39.269 6.221 18.813 1.00 17.05 C ATOM 1173 CZ3 TRP A 126 39.201 3.816 18.613 1.00 16.90 C ATOM 1174 CH2 TRP A 126 38.602 5.072 18.488 1.00 17.10 C ATOM 1175 HE1 TRP A 126 41.310 8.078 19.672 1.00 0.00 H ATOM 1176 H TRP A 126 45.515 2.373 20.376 1.00 0.00 H ATOM 1177 N ASN A 127 46.294 5.472 19.177 1.00 18.34 N ATOM 1178 CA ASN A 127 46.953 6.732 18.866 1.00 21.23 C ATOM 1179 C ASN A 127 48.134 6.576 17.914 1.00 24.77 C ATOM 1180 O ASN A 127 48.862 7.549 17.679 1.00 27.34 O ATOM 1181 CB ASN A 127 47.393 7.409 20.164 1.00 25.48 C ATOM 1182 CG ASN A 127 46.205 7.769 21.045 1.00 29.49 C ATOM 1183 OD1 ASN A 127 45.432 8.662 20.710 1.00 30.47 O ATOM 1184 ND2 ASN A 127 46.058 7.080 22.166 1.00 31.12 N ATOM 1185 HD22 ASN A 127 46.738 6.332 22.409 1.00 0.00 H ATOM 1186 HD21 ASN A 127 45.263 7.287 22.803 1.00 0.00 H ATOM 1187 H ASN A 127 46.696 4.866 19.921 1.00 0.00 H ATOM 1188 N SER A 128 48.328 5.392 17.344 1.00 21.73 N ATOM 1189 CA SER A 128 49.505 5.137 16.524 1.00 23.44 C ATOM 1190 C SER A 128 49.283 5.587 15.085 1.00 21.99 C ATOM 1191 O SER A 128 48.152 5.599 14.578 1.00 19.38 O ATOM 1192 CB SER A 128 49.880 3.652 16.554 1.00 20.37 C ATOM 1193 OG SER A 128 48.943 2.875 15.816 1.00 19.99 O ATOM 1194 HG SER A 128 48.042 2.984 16.211 1.00 0.00 H ATOM 1195 H SER A 128 47.629 4.635 17.485 1.00 0.00 H ATOM 1196 N PHE A 129 50.390 5.953 14.426 1.00 22.36 N ATOM 1197 CA PHE A 129 50.318 6.283 13.008 1.00 21.11 C ATOM 1198 C PHE A 129 50.074 5.039 12.159 1.00 20.82 C ATOM 1199 O PHE A 129 49.479 5.138 11.082 1.00 22.34 O ATOM 1200 CB PHE A 129 51.585 7.038 12.593 1.00 24.31 C ATOM 1201 CG PHE A 129 51.566 8.472 13.031 1.00 25.91 C ATOM 1202 CD1 PHE A 129 52.061 8.841 14.274 1.00 24.40 C ATOM 1203 CD2 PHE A 129 50.979 9.441 12.232 1.00 26.43 C ATOM 1204 CE1 PHE A 129 52.000 10.157 14.691 1.00 30.76 C ATOM 1205 CE2 PHE A 129 50.922 10.761 12.647 1.00 26.36 C ATOM 1206 CZ PHE A 129 51.435 11.112 13.879 1.00 26.59 C ATOM 1207 H PHE A 129 51.301 6.002 14.926 1.00 0.00 H ATOM 1208 N VAL A 130 50.495 3.861 12.633 1.00 20.60 N ATOM 1209 CA VAL A 130 50.138 2.621 11.943 1.00 21.21 C ATOM 1210 C VAL A 130 48.620 2.486 11.841 1.00 18.90 C ATOM 1211 O VAL A 130 48.088 2.174 10.772 1.00 20.02 O ATOM 1212 CB VAL A 130 50.789 1.405 12.634 1.00 20.45 C ATOM 1213 CG1 VAL A 130 50.097 0.103 12.211 1.00 25.10 C ATOM 1214 CG2 VAL A 130 52.287 1.344 12.294 1.00 20.88 C ATOM 1215 H VAL A 130 51.077 3.826 13.494 1.00 0.00 H ATOM 1216 N VAL A 131 47.897 2.768 12.933 1.00 14.92 N ATOM 1217 CA VAL A 131 46.437 2.712 12.903 1.00 15.99 C ATOM 1218 C VAL A 131 45.863 3.849 12.055 1.00 16.89 C ATOM 1219 O VAL A 131 44.895 3.653 11.312 1.00 18.69 O ATOM 1220 CB VAL A 131 45.890 2.706 14.344 1.00 17.96 C ATOM 1221 CG1 VAL A 131 44.417 3.108 14.393 1.00 16.20 C ATOM 1222 CG2 VAL A 131 46.054 1.293 14.926 1.00 20.43 C ATOM 1223 H VAL A 131 48.382 3.031 13.815 1.00 0.00 H ATOM 1224 N LYS A 132 46.453 5.046 12.126 1.00 20.11 N ATOM 1225 CA LYS A 132 46.020 6.128 11.234 1.00 20.29 C ATOM 1226 C LYS A 132 46.070 5.700 9.771 1.00 23.04 C ATOM 1227 O LYS A 132 45.158 5.998 8.986 1.00 20.96 O ATOM 1228 CB LYS A 132 46.897 7.363 11.428 1.00 22.11 C ATOM 1229 CG LYS A 132 46.533 8.246 12.592 1.00 27.35 C ATOM 1230 CD LYS A 132 47.097 9.658 12.375 1.00 37.40 C ATOM 1231 CE LYS A 132 47.240 10.419 13.688 1.00 47.67 C ATOM 1232 NZ LYS A 132 46.609 9.718 14.849 1.00 53.60 N ATOM 1233 HZ1 LYS A 132 45.593 9.594 14.667 1.00 0.00 H ATOM 1234 HZ2 LYS A 132 47.056 8.787 14.975 1.00 0.00 H ATOM 1235 HZ3 LYS A 132 46.741 10.287 15.710 1.00 0.00 H ATOM 1236 H LYS A 132 47.217 5.210 12.812 1.00 0.00 H ATOM 1237 N SER A 133 47.128 4.987 9.383 1.00 21.22 N ATOM 1238 CA SER A 133 47.258 4.535 8.004 1.00 19.81 C ATOM 1239 C SER A 133 46.250 3.437 7.686 1.00 17.71 C ATOM 1240 O SER A 133 45.739 3.362 6.564 1.00 20.63 O ATOM 1241 CB SER A 133 48.686 4.056 7.753 1.00 24.90 C ATOM 1242 OG SER A 133 48.788 3.398 6.511 1.00 24.99 O ATOM 1243 HG SER A 133 48.530 4.021 5.786 1.00 0.00 H ATOM 1244 H SER A 133 47.869 4.751 10.073 1.00 0.00 H ATOM 1245 N LEU A 134 45.952 2.576 8.659 1.00 16.47 N ATOM 1246 CA LEU A 134 44.926 1.562 8.449 1.00 17.23 C ATOM 1247 C LEU A 134 43.537 2.192 8.308 1.00 17.96 C ATOM 1248 O LEU A 134 42.705 1.692 7.545 1.00 15.94 O ATOM 1249 CB LEU A 134 44.941 0.550 9.591 1.00 17.36 C ATOM 1250 CG LEU A 134 46.036 -0.514 9.525 1.00 21.99 C ATOM 1251 CD1 LEU A 134 46.092 -1.240 10.851 1.00 20.82 C ATOM 1252 CD2 LEU A 134 45.788 -1.485 8.380 1.00 23.37 C ATOM 1253 H LEU A 134 46.452 2.628 9.569 1.00 0.00 H ATOM 1254 N VAL A 135 43.257 3.273 9.045 1.00 16.58 N ATOM 1255 CA VAL A 135 42.001 3.990 8.832 1.00 16.97 C ATOM 1256 C VAL A 135 41.943 4.533 7.406 1.00 17.66 C ATOM 1257 O VAL A 135 40.945 4.361 6.691 1.00 16.29 O ATOM 1258 CB VAL A 135 41.823 5.106 9.877 1.00 17.95 C ATOM 1259 CG1 VAL A 135 40.645 6.005 9.495 1.00 20.43 C ATOM 1260 CG2 VAL A 135 41.631 4.494 11.267 1.00 15.85 C ATOM 1261 H VAL A 135 43.930 3.602 9.766 1.00 0.00 H ATOM 1262 N ALA A 136 43.032 5.156 6.958 1.00 16.33 N ATOM 1263 CA ALA A 136 43.076 5.691 5.604 1.00 16.90 C ATOM 1264 C ALA A 136 42.909 4.577 4.582 1.00 20.08 C ATOM 1265 O ALA A 136 42.276 4.774 3.537 1.00 20.48 O ATOM 1266 CB ALA A 136 44.389 6.442 5.375 1.00 20.11 C ATOM 1267 H ALA A 136 43.858 5.261 7.581 1.00 0.00 H ATOM 1268 N GLN A 137 43.474 3.395 4.865 1.00 17.74 N ATOM 1269 CA GLN A 137 43.377 2.300 3.908 1.00 17.46 C ATOM 1270 C GLN A 137 41.938 1.830 3.770 1.00 15.85 C ATOM 1271 O GLN A 137 41.482 1.526 2.660 1.00 17.62 O ATOM 1272 CB GLN A 137 44.269 1.128 4.331 1.00 22.90 C ATOM 1273 CG GLN A 137 45.765 1.349 4.113 1.00 30.69 C ATOM 1274 CD GLN A 137 46.623 0.313 4.843 1.00 43.47 C ATOM 1275 OE1 GLN A 137 47.515 0.662 5.633 1.00 45.34 O ATOM 1276 NE2 GLN A 137 46.354 -0.964 4.584 1.00 36.73 N ATOM 1277 HE22 GLN A 137 45.597 -1.211 3.915 1.00 0.00 H ATOM 1278 HE21 GLN A 137 46.901 -1.716 5.051 1.00 0.00 H ATOM 1279 H GLN A 137 43.980 3.260 5.764 1.00 0.00 H ATOM 1280 N GLN A 138 41.212 1.773 4.890 1.00 17.23 N ATOM 1281 CA GLN A 138 39.809 1.376 4.847 1.00 15.69 C ATOM 1282 C GLN A 138 38.983 2.390 4.083 1.00 15.53 C ATOM 1283 O GLN A 138 38.141 2.014 3.256 1.00 15.41 O ATOM 1284 CB GLN A 138 39.258 1.215 6.257 1.00 14.91 C ATOM 1285 CG GLN A 138 39.876 0.063 7.051 1.00 14.67 C ATOM 1286 CD GLN A 138 39.305 0.009 8.451 1.00 14.30 C ATOM 1287 OE1 GLN A 138 38.266 -0.609 8.685 1.00 14.85 O ATOM 1288 NE2 GLN A 138 39.969 0.691 9.393 1.00 14.01 N ATOM 1289 HE22 GLN A 138 40.843 1.199 9.149 1.00 0.00 H ATOM 1290 HE21 GLN A 138 39.610 0.713 10.369 1.00 0.00 H ATOM 1291 H GLN A 138 41.651 2.014 5.801 1.00 0.00 H ATOM 1292 N GLU A 139 39.205 3.679 4.355 1.00 16.24 N ATOM 1293 CA GLU A 139 38.480 4.727 3.643 1.00 17.13 C ATOM 1294 C GLU A 139 38.767 4.684 2.151 1.00 18.02 C ATOM 1295 O GLU A 139 37.846 4.798 1.334 1.00 18.16 O ATOM 1296 CB GLU A 139 38.844 6.105 4.202 1.00 20.69 C ATOM 1297 CG GLU A 139 38.473 6.252 5.667 1.00 19.92 C ATOM 1298 CD GLU A 139 38.544 7.688 6.148 1.00 32.25 C ATOM 1299 OE1 GLU A 139 38.687 8.610 5.300 1.00 32.63 O ATOM 1300 OE2 GLU A 139 38.421 7.878 7.377 1.00 29.69 O ATOM 1301 H GLU A 139 39.902 3.939 5.082 1.00 0.00 H ATOM 1302 N LYS A 140 40.041 4.527 1.775 1.00 16.03 N ATOM 1303 CA LYS A 140 40.390 4.532 0.358 1.00 17.38 C ATOM 1304 C LYS A 140 39.732 3.372 -0.376 1.00 17.34 C ATOM 1305 O LYS A 140 39.194 3.543 -1.472 1.00 22.93 O ATOM 1306 CB LYS A 140 41.908 4.489 0.168 1.00 20.27 C ATOM 1307 CG LYS A 140 42.306 4.500 -1.300 1.00 25.89 C ATOM 1308 CD LYS A 140 43.768 4.207 -1.528 1.00 38.17 C ATOM 1309 CE LYS A 140 44.068 4.155 -3.029 1.00 38.20 C ATOM 1310 NZ LYS A 140 43.127 3.217 -3.727 1.00 39.56 N ATOM 1311 HZ1 LYS A 140 43.233 2.262 -3.329 1.00 0.00 H ATOM 1312 HZ2 LYS A 140 42.149 3.544 -3.591 1.00 0.00 H ATOM 1313 HZ3 LYS A 140 43.349 3.198 -4.743 1.00 0.00 H ATOM 1314 H LYS A 140 40.783 4.401 2.493 1.00 0.00 H ATOM 1315 N ALA A 141 39.744 2.186 0.224 1.00 17.41 N ATOM 1316 CA ALA A 141 39.145 1.039 -0.446 1.00 17.36 C ATOM 1317 C ALA A 141 37.657 1.259 -0.700 1.00 19.49 C ATOM 1318 O ALA A 141 37.144 0.925 -1.773 1.00 21.80 O ATOM 1319 CB ALA A 141 39.382 -0.220 0.387 1.00 16.04 C ATOM 1320 H ALA A 141 40.177 2.078 1.163 1.00 0.00 H ATOM 1321 N ALA A 142 36.953 1.839 0.268 1.00 18.16 N ATOM 1322 CA ALA A 142 35.535 2.130 0.084 1.00 18.91 C ATOM 1323 C ALA A 142 35.333 3.223 -0.950 1.00 21.11 C ATOM 1324 O ALA A 142 34.432 3.133 -1.795 1.00 23.28 O ATOM 1325 CB ALA A 142 34.911 2.534 1.419 1.00 20.34 C ATOM 1326 H ALA A 142 37.418 2.087 1.165 1.00 0.00 H ATOM 1327 N ALA A 143 36.181 4.254 -0.911 1.00 17.87 N ATOM 1328 CA ALA A 143 36.041 5.360 -1.849 1.00 20.25 C ATOM 1329 C ALA A 143 36.261 4.908 -3.281 1.00 21.46 C ATOM 1330 O ALA A 143 35.611 5.419 -4.207 1.00 26.21 O ATOM 1331 CB ALA A 143 37.026 6.470 -1.482 1.00 19.88 C ATOM 1332 H ALA A 143 36.946 4.267 -0.207 1.00 0.00 H ATOM 1333 N ASP A 144 37.185 3.969 -3.488 1.00 22.53 N ATOM 1334 CA ASP A 144 37.453 3.471 -4.827 1.00 24.48 C ATOM 1335 C ASP A 144 36.185 3.010 -5.544 1.00 33.29 C ATOM 1336 O ASP A 144 36.176 2.942 -6.777 1.00 38.39 O ATOM 1337 CB ASP A 144 38.462 2.316 -4.768 1.00 27.57 C ATOM 1338 CG ASP A 144 39.898 2.782 -4.539 1.00 32.64 C ATOM 1339 OD1 ASP A 144 40.230 3.957 -4.841 1.00 34.69 O ATOM 1340 OD2 ASP A 144 40.707 1.954 -4.061 1.00 41.80 O ATOM 1341 H ASP A 144 37.720 3.588 -2.682 1.00 0.00 H ATOM 1342 N VAL A 145 35.108 2.701 -4.811 1.00 33.68 N ATOM 1343 CA VAL A 145 33.860 2.266 -5.437 1.00 24.12 C ATOM 1344 C VAL A 145 32.627 3.018 -4.925 1.00 28.59 C ATOM 1345 O VAL A 145 31.499 2.511 -5.023 1.00 28.40 O ATOM 1346 CB VAL A 145 33.681 0.741 -5.284 1.00 33.20 C ATOM 1347 CG1 VAL A 145 34.904 0.000 -5.781 1.00 46.13 C ATOM 1348 CG2 VAL A 145 33.449 0.376 -3.807 1.00 34.13 C ATOM 1349 H VAL A 145 35.160 2.772 -3.775 1.00 0.00 H ATOM 1350 N GLN A 146 32.817 4.243 -4.427 1.00 37.05 N ATOM 1351 CA GLN A 146 31.708 5.099 -3.974 1.00 42.90 C ATOM 1352 C GLN A 146 30.664 4.298 -3.190 1.00 42.83 C ATOM 1353 O GLN A 146 29.460 4.371 -3.443 1.00 42.43 O ATOM 1354 CB GLN A 146 31.060 5.824 -5.158 1.00 46.00 C ATOM 1355 H GLN A 146 33.789 4.607 -4.356 1.00 0.00 H ATOM 1356 N LEU A 147 31.148 3.504 -2.242 1.00 27.22 N ATOM 1357 CA LEU A 147 30.297 2.586 -1.504 1.00 27.14 C ATOM 1358 C LEU A 147 29.238 3.337 -0.707 1.00 34.29 C ATOM 1359 O LEU A 147 29.565 4.215 0.096 1.00 27.42 O ATOM 1360 CB LEU A 147 31.168 1.760 -0.560 1.00 23.79 C ATOM 1361 CG LEU A 147 30.527 0.609 0.171 1.00 23.30 C ATOM 1362 CD1 LEU A 147 30.389 -0.590 -0.737 1.00 25.32 C ATOM 1363 CD2 LEU A 147 31.422 0.313 1.355 1.00 30.35 C ATOM 1364 H LEU A 147 32.164 3.540 -2.022 1.00 0.00 H ATOM 1365 N ARG A 148 27.966 2.990 -0.912 1.00 33.34 N ATOM 1366 CA ARG A 148 26.886 3.582 -0.133 1.00 36.36 C ATOM 1367 C ARG A 148 26.044 2.539 0.583 1.00 37.69 C ATOM 1368 O ARG A 148 25.031 2.894 1.201 1.00 38.70 O ATOM 1369 CB ARG A 148 25.987 4.455 -1.023 1.00 37.09 C ATOM 1370 CG ARG A 148 24.941 3.677 -1.808 1.00 41.90 C ATOM 1371 CD ARG A 148 24.055 4.593 -2.639 1.00 43.08 C ATOM 1372 NE ARG A 148 24.544 4.753 -4.007 1.00 44.18 N ATOM 1373 CZ ARG A 148 24.091 4.067 -5.052 1.00 45.05 C ATOM 1374 NH1 ARG A 148 24.594 4.285 -6.262 1.00 41.03 N ATOM 1375 NH2 ARG A 148 23.139 3.157 -4.890 1.00 47.79 N ATOM 1376 HE ARG A 148 25.297 5.450 -4.174 1.00 0.00 H ATOM 1377 HH12 ARG A 148 24.238 3.747 -7.078 1.00 0.00 H ATOM 1378 HH11 ARG A 148 25.344 4.994 -6.394 1.00 0.00 H ATOM 1379 HH22 ARG A 148 22.786 2.622 -5.709 1.00 0.00 H ATOM 1380 HH21 ARG A 148 22.745 2.979 -3.944 1.00 0.00 H ATOM 1381 H ARG A 148 27.741 2.284 -1.641 1.00 0.00 H ATOM 1382 N GLY A 149 26.441 1.271 0.531 1.00 30.79 N ATOM 1383 CA GLY A 149 25.691 0.211 1.165 1.00 24.04 C ATOM 1384 C GLY A 149 26.571 -0.928 1.630 1.00 20.42 C ATOM 1385 O GLY A 149 27.529 -1.315 0.953 1.00 23.85 O ATOM 1386 H GLY A 149 27.316 1.036 0.020 1.00 0.00 H ATOM 1387 N VAL A 150 26.234 -1.462 2.799 1.00 19.21 N ATOM 1388 CA VAL A 150 26.861 -2.656 3.357 1.00 16.41 C ATOM 1389 C VAL A 150 25.749 -3.614 3.759 1.00 16.12 C ATOM 1390 O VAL A 150 24.593 -3.194 3.944 1.00 19.58 O ATOM 1391 CB VAL A 150 27.770 -2.303 4.558 1.00 16.86 C ATOM 1392 CG1 VAL A 150 29.066 -1.668 4.052 1.00 15.68 C ATOM 1393 CG2 VAL A 150 27.062 -1.327 5.489 1.00 16.38 C ATOM 1394 H VAL A 150 25.480 -1.003 3.348 1.00 0.00 H ATOM 1395 N PRO A 151 26.049 -4.918 3.889 1.00 15.72 N ATOM 1396 CA PRO A 151 27.323 -5.592 3.636 1.00 16.86 C ATOM 1397 C PRO A 151 27.613 -5.640 2.141 1.00 18.92 C ATOM 1398 O PRO A 151 26.695 -5.832 1.350 1.00 22.95 O ATOM 1399 CB PRO A 151 27.100 -6.998 4.191 1.00 16.42 C ATOM 1400 CG PRO A 151 25.608 -7.218 4.055 1.00 17.01 C ATOM 1401 CD PRO A 151 24.995 -5.860 4.308 1.00 16.41 C ATOM 1402 N ALA A 152 28.863 -5.452 1.758 1.00 19.54 N ATOM 1403 CA ALA A 152 29.243 -5.472 0.354 1.00 17.35 C ATOM 1404 C ALA A 152 30.456 -6.373 0.216 1.00 17.21 C ATOM 1405 O ALA A 152 31.328 -6.381 1.093 1.00 17.55 O ATOM 1406 CB ALA A 152 29.578 -4.052 -0.174 1.00 18.91 C ATOM 1407 H ALA A 152 29.594 -5.285 2.479 1.00 0.00 H ATOM 1408 N MET A 153 30.512 -7.135 -0.873 1.00 15.22 N ATOM 1409 CA MET A 153 31.702 -7.912 -1.181 1.00 17.40 C ATOM 1410 C MET A 153 32.094 -7.690 -2.632 1.00 15.10 C ATOM 1411 O MET A 153 31.244 -7.721 -3.526 1.00 17.86 O ATOM 1412 CB MET A 153 31.523 -9.404 -0.935 1.00 18.16 C ATOM 1413 CG MET A 153 32.840 -10.181 -1.165 1.00 20.31 C ATOM 1414 SD MET A 153 32.588 -11.949 -1.113 1.00 25.04 S ATOM 1415 CE MET A 153 32.574 -12.257 0.626 1.00 17.50 C ATOM 1416 H MET A 153 29.693 -7.176 -1.513 1.00 0.00 H ATOM 1417 N PHE A 154 33.380 -7.467 -2.848 1.00 17.66 N ATOM 1418 CA PHE A 154 33.938 -7.254 -4.171 1.00 19.38 C ATOM 1419 C PHE A 154 34.972 -8.331 -4.435 1.00 23.26 C ATOM 1420 O PHE A 154 35.724 -8.721 -3.536 1.00 23.80 O ATOM 1421 CB PHE A 154 34.565 -5.855 -4.294 1.00 19.24 C ATOM 1422 CG PHE A 154 33.584 -4.748 -4.088 1.00 24.18 C ATOM 1423 CD1 PHE A 154 33.268 -4.318 -2.801 1.00 22.47 C ATOM 1424 CD2 PHE A 154 32.941 -4.166 -5.164 1.00 24.49 C ATOM 1425 CE1 PHE A 154 32.340 -3.317 -2.604 1.00 20.70 C ATOM 1426 CE2 PHE A 154 32.014 -3.158 -4.972 1.00 25.85 C ATOM 1427 CZ PHE A 154 31.716 -2.727 -3.694 1.00 21.61 C ATOM 1428 H PHE A 154 34.022 -7.443 -2.030 1.00 0.00 H ATOM 1429 N VAL A 155 35.010 -8.810 -5.670 1.00 19.86 N ATOM 1430 CA VAL A 155 35.922 -9.870 -6.060 1.00 22.44 C ATOM 1431 C VAL A 155 36.837 -9.325 -7.143 1.00 25.89 C ATOM 1432 O VAL A 155 36.361 -8.835 -8.176 1.00 28.52 O ATOM 1433 CB VAL A 155 35.167 -11.119 -6.537 1.00 19.47 C ATOM 1434 CG1 VAL A 155 36.139 -12.146 -7.087 1.00 22.61 C ATOM 1435 CG2 VAL A 155 34.400 -11.713 -5.369 1.00 18.51 C ATOM 1436 H VAL A 155 34.365 -8.414 -6.383 1.00 0.00 H ATOM 1437 N ASN A 156 38.141 -9.370 -6.871 1.00 25.73 N ATOM 1438 CA ASN A 156 39.193 -8.937 -7.795 1.00 30.66 C ATOM 1439 C ASN A 156 38.985 -7.511 -8.295 1.00 37.15 C ATOM 1440 O ASN A 156 39.346 -7.175 -9.425 1.00 41.17 O ATOM 1441 CB ASN A 156 39.313 -9.923 -8.955 1.00 36.50 C ATOM 1442 CG ASN A 156 39.963 -11.221 -8.528 1.00 39.43 C ATOM 1443 OD1 ASN A 156 40.919 -11.211 -7.744 1.00 43.52 O ATOM 1444 ND2 ASN A 156 39.462 -12.341 -9.038 1.00 38.02 N ATOM 1445 HD22 ASN A 156 38.656 -12.299 -9.694 1.00 0.00 H ATOM 1446 HD21 ASN A 156 39.876 -13.260 -8.781 1.00 0.00 H ATOM 1447 H ASN A 156 38.431 -9.736 -5.942 1.00 0.00 H ATOM 1448 N GLY A 157 38.431 -6.650 -7.444 1.00 34.00 N ATOM 1449 CA GLY A 157 38.204 -5.270 -7.830 1.00 36.39 C ATOM 1450 C GLY A 157 37.281 -5.071 -9.011 1.00 36.18 C ATOM 1451 O GLY A 157 37.240 -3.975 -9.574 1.00 40.80 O ATOM 1452 H GLY A 157 38.158 -6.970 -6.493 1.00 0.00 H ATOM 1453 N LYS A 158 36.521 -6.087 -9.394 1.00 28.64 N ATOM 1454 CA LYS A 158 35.782 -6.038 -10.652 1.00 32.05 C ATOM 1455 C LYS A 158 34.300 -6.340 -10.506 1.00 32.53 C ATOM 1456 O LYS A 158 33.492 -5.764 -11.239 1.00 33.71 O ATOM 1457 CB LYS A 158 36.401 -7.023 -11.656 1.00 36.02 C ATOM 1458 H LYS A 158 36.450 -6.931 -8.790 1.00 0.00 H ATOM 1459 N TYR A 159 33.923 -7.231 -9.590 1.00 24.90 N ATOM 1460 CA TYR A 159 32.557 -7.714 -9.470 1.00 23.69 C ATOM 1461 C TYR A 159 32.042 -7.468 -8.060 1.00 23.68 C ATOM 1462 O TYR A 159 32.797 -7.566 -7.090 1.00 24.32 O ATOM 1463 CB TYR A 159 32.481 -9.204 -9.813 1.00 22.52 C ATOM 1464 CG TYR A 159 33.112 -9.517 -11.150 1.00 28.15 C ATOM 1465 CD1 TYR A 159 32.473 -9.168 -12.328 1.00 35.54 C ATOM 1466 CD2 TYR A 159 34.347 -10.142 -11.234 1.00 29.98 C ATOM 1467 CE1 TYR A 159 33.045 -9.432 -13.566 1.00 36.61 C ATOM 1468 CE2 TYR A 159 34.930 -10.414 -12.471 1.00 37.16 C ATOM 1469 CZ TYR A 159 34.272 -10.055 -13.629 1.00 38.15 C ATOM 1470 OH TYR A 159 34.836 -10.323 -14.856 1.00 46.78 O ATOM 1471 HH TYR A 159 34.234 -10.000 -15.572 1.00 0.00 H ATOM 1472 H TYR A 159 34.639 -7.598 -8.931 1.00 0.00 H ATOM 1473 N GLN A 160 30.766 -7.120 -7.953 1.00 24.65 N ATOM 1474 CA GLN A 160 30.131 -6.882 -6.670 1.00 24.19 C ATOM 1475 C GLN A 160 29.025 -7.906 -6.473 1.00 20.12 C ATOM 1476 O GLN A 160 28.149 -8.055 -7.329 1.00 22.05 O ATOM 1477 CB GLN A 160 29.575 -5.456 -6.573 1.00 25.38 C ATOM 1478 CG GLN A 160 28.820 -5.187 -5.264 1.00 25.10 C ATOM 1479 CD GLN A 160 28.440 -3.722 -5.092 1.00 36.11 C ATOM 1480 OE1 GLN A 160 28.683 -2.895 -5.974 1.00 36.31 O ATOM 1481 NE2 GLN A 160 27.851 -3.397 -3.944 1.00 38.40 N ATOM 1482 HE22 GLN A 160 27.666 -4.129 -3.229 1.00 0.00 H ATOM 1483 HE21 GLN A 160 27.576 -2.411 -3.762 1.00 0.00 H ATOM 1484 H GLN A 160 30.201 -7.014 -8.820 1.00 0.00 H ATOM 1485 N LEU A 161 29.081 -8.617 -5.357 1.00 19.83 N ATOM 1486 CA LEU A 161 28.021 -9.553 -5.015 1.00 20.46 C ATOM 1487 C LEU A 161 26.689 -8.820 -4.959 1.00 20.08 C ATOM 1488 O LEU A 161 26.626 -7.659 -4.543 1.00 21.00 O ATOM 1489 CB LEU A 161 28.330 -10.216 -3.671 1.00 17.65 C ATOM 1490 CG LEU A 161 29.260 -11.445 -3.682 1.00 23.62 C ATOM 1491 CD1 LEU A 161 28.494 -12.686 -4.134 1.00 22.55 C ATOM 1492 CD2 LEU A 161 30.512 -11.243 -4.552 1.00 21.65 C ATOM 1493 H LEU A 161 29.893 -8.505 -4.717 1.00 0.00 H ATOM 1494 N ASN A 162 25.618 -9.489 -5.405 1.00 19.33 N ATOM 1495 CA ASN A 162 24.263 -8.930 -5.385 1.00 20.55 C ATOM 1496 C ASN A 162 23.338 -9.839 -4.578 1.00 21.33 C ATOM 1497 O ASN A 162 22.548 -10.602 -5.151 1.00 22.16 O ATOM 1498 CB ASN A 162 23.723 -8.721 -6.802 1.00 23.22 C ATOM 1499 CG ASN A 162 22.393 -7.968 -6.817 1.00 32.83 C ATOM 1500 OD1 ASN A 162 22.195 -7.018 -6.057 1.00 33.17 O ATOM 1501 ND2 ASN A 162 21.472 -8.403 -7.671 1.00 28.37 N ATOM 1502 HD22 ASN A 162 21.681 -9.208 -8.295 1.00 0.00 H ATOM 1503 HD21 ASN A 162 20.543 -7.938 -7.715 1.00 0.00 H ATOM 1504 H ASN A 162 25.754 -10.448 -5.783 1.00 0.00 H ATOM 1505 N PRO A 163 23.384 -9.767 -3.246 1.00 20.30 N ATOM 1506 CA PRO A 163 22.535 -10.662 -2.435 1.00 23.19 C ATOM 1507 C PRO A 163 21.044 -10.451 -2.633 1.00 22.56 C ATOM 1508 O PRO A 163 20.273 -11.392 -2.400 1.00 23.57 O ATOM 1509 CB PRO A 163 22.960 -10.346 -0.993 1.00 21.98 C ATOM 1510 CG PRO A 163 23.618 -8.974 -1.074 1.00 23.26 C ATOM 1511 CD PRO A 163 24.279 -8.940 -2.418 1.00 20.82 C ATOM 1512 N GLN A 164 20.606 -9.261 -3.060 1.00 22.49 N ATOM 1513 CA GLN A 164 19.179 -9.049 -3.291 1.00 29.67 C ATOM 1514 C GLN A 164 18.640 -9.948 -4.400 1.00 30.44 C ATOM 1515 O GLN A 164 17.421 -10.136 -4.497 1.00 32.46 O ATOM 1516 CB GLN A 164 18.911 -7.578 -3.612 1.00 34.13 C ATOM 1517 CG GLN A 164 19.267 -7.171 -5.025 1.00 41.36 C ATOM 1518 H GLN A 164 21.281 -8.488 -3.227 1.00 0.00 H ATOM 1519 N GLY A 165 19.515 -10.526 -5.219 1.00 30.23 N ATOM 1520 CA GLY A 165 19.079 -11.457 -6.238 1.00 35.07 C ATOM 1521 C GLY A 165 19.140 -12.916 -5.823 1.00 34.35 C ATOM 1522 O GLY A 165 18.995 -13.796 -6.676 1.00 38.52 O ATOM 1523 H GLY A 165 20.527 -10.306 -5.126 1.00 0.00 H ATOM 1524 N MET A 166 19.341 -13.203 -4.536 1.00 22.44 N ATOM 1525 CA MET A 166 19.511 -14.571 -4.069 1.00 21.80 C ATOM 1526 C MET A 166 18.322 -15.001 -3.219 1.00 24.62 C ATOM 1527 O MET A 166 17.613 -14.169 -2.649 1.00 27.65 O ATOM 1528 CB MET A 166 20.815 -14.714 -3.285 1.00 22.19 C ATOM 1529 CG MET A 166 22.030 -14.370 -4.135 1.00 18.96 C ATOM 1530 SD MET A 166 23.549 -14.373 -3.207 1.00 20.04 S ATOM 1531 CE MET A 166 24.691 -13.856 -4.501 1.00 20.03 C ATOM 1532 H MET A 166 19.377 -12.426 -3.846 1.00 0.00 H ATOM 1533 N ASP A 167 18.110 -16.311 -3.138 1.00 27.22 N ATOM 1534 CA ASP A 167 16.930 -16.836 -2.460 1.00 28.80 C ATOM 1535 C ASP A 167 17.082 -16.712 -0.944 1.00 24.87 C ATOM 1536 O ASP A 167 18.080 -17.162 -0.376 1.00 28.28 O ATOM 1537 CB ASP A 167 16.704 -18.295 -2.869 1.00 33.19 C ATOM 1538 CG ASP A 167 16.598 -18.477 -4.387 1.00 31.85 C ATOM 1539 OD1 ASP A 167 16.264 -17.499 -5.094 1.00 32.37 O ATOM 1540 OD2 ASP A 167 16.838 -19.604 -4.876 1.00 30.47 O ATOM 1541 H ASP A 167 18.794 -16.969 -3.563 1.00 0.00 H ATOM 1542 N THR A 168 16.092 -16.090 -0.285 1.00 23.11 N ATOM 1543 CA THR A 168 16.139 -15.857 1.157 1.00 21.41 C ATOM 1544 C THR A 168 15.055 -16.606 1.926 1.00 23.43 C ATOM 1545 O THR A 168 14.822 -16.302 3.102 1.00 24.33 O ATOM 1546 CB THR A 168 16.055 -14.365 1.479 1.00 27.62 C ATOM 1547 OG1 THR A 168 14.816 -13.842 0.999 1.00 28.56 O ATOM 1548 CG2 THR A 168 17.213 -13.627 0.836 1.00 34.10 C ATOM 1549 HG1 THR A 168 14.764 -12.876 1.209 1.00 0.00 H ATOM 1550 H THR A 168 15.262 -15.762 -0.819 1.00 0.00 H ATOM 1551 N SER A 169 14.389 -17.572 1.300 1.00 18.86 N ATOM 1552 CA SER A 169 13.463 -18.411 2.048 1.00 23.65 C ATOM 1553 C SER A 169 14.198 -19.410 2.932 1.00 22.48 C ATOM 1554 O SER A 169 13.618 -19.912 3.901 1.00 24.47 O ATOM 1555 CB SER A 169 12.532 -19.143 1.086 1.00 26.58 C ATOM 1556 OG SER A 169 13.262 -20.087 0.324 1.00 31.28 O ATOM 1557 HG SER A 169 13.684 -20.745 0.932 1.00 0.00 H ATOM 1558 H SER A 169 14.529 -17.728 0.281 1.00 0.00 H ATOM 1559 N ASN A 170 15.464 -19.695 2.633 1.00 18.34 N ATOM 1560 CA ASN A 170 16.244 -20.668 3.386 1.00 19.07 C ATOM 1561 C ASN A 170 17.622 -20.070 3.627 1.00 17.91 C ATOM 1562 O ASN A 170 18.337 -19.763 2.667 1.00 17.30 O ATOM 1563 CB ASN A 170 16.314 -22.005 2.615 1.00 20.53 C ATOM 1564 CG ASN A 170 17.096 -23.068 3.344 1.00 18.90 C ATOM 1565 OD1 ASN A 170 18.249 -22.850 3.719 1.00 19.23 O ATOM 1566 ND2 ASN A 170 16.498 -24.250 3.511 1.00 21.57 N ATOM 1567 HD22 ASN A 170 15.523 -24.391 3.179 1.00 0.00 H ATOM 1568 HD21 ASN A 170 17.008 -25.030 3.973 1.00 0.00 H ATOM 1569 H ASN A 170 15.912 -19.205 1.833 1.00 0.00 H ATOM 1570 N MET A 171 17.975 -19.882 4.901 1.00 16.72 N ATOM 1571 CA MET A 171 19.255 -19.263 5.237 1.00 15.79 C ATOM 1572 C MET A 171 20.415 -20.022 4.610 1.00 15.89 C ATOM 1573 O MET A 171 21.313 -19.422 4.008 1.00 17.54 O ATOM 1574 CB MET A 171 19.434 -19.210 6.751 1.00 17.19 C ATOM 1575 CG MET A 171 18.454 -18.336 7.489 1.00 19.39 C ATOM 1576 SD MET A 171 18.973 -18.268 9.206 1.00 22.98 S ATOM 1577 CE MET A 171 17.500 -17.673 10.001 1.00 20.69 C ATOM 1578 H MET A 171 17.332 -20.179 5.662 1.00 0.00 H ATOM 1579 N ASP A 172 20.416 -21.349 4.753 1.00 16.92 N ATOM 1580 CA ASP A 172 21.559 -22.134 4.303 1.00 16.23 C ATOM 1581 C ASP A 172 21.682 -22.101 2.787 1.00 14.19 C ATOM 1582 O ASP A 172 22.802 -22.036 2.255 1.00 14.98 O ATOM 1583 CB ASP A 172 21.431 -23.551 4.856 1.00 16.44 C ATOM 1584 CG ASP A 172 21.506 -23.559 6.378 1.00 18.72 C ATOM 1585 OD1 ASP A 172 22.512 -23.065 6.912 1.00 26.69 O ATOM 1586 OD2 ASP A 172 20.581 -24.067 7.019 1.00 25.03 O ATOM 1587 H ASP A 172 19.599 -21.824 5.187 1.00 0.00 H ATOM 1588 N VAL A 173 20.548 -22.098 2.077 1.00 15.17 N ATOM 1589 CA VAL A 173 20.589 -21.979 0.619 1.00 14.66 C ATOM 1590 C VAL A 173 21.151 -20.619 0.217 1.00 15.16 C ATOM 1591 O VAL A 173 21.951 -20.519 -0.727 1.00 16.82 O ATOM 1592 CB VAL A 173 19.198 -22.230 0.007 1.00 17.20 C ATOM 1593 CG1 VAL A 173 19.220 -21.950 -1.501 1.00 20.49 C ATOM 1594 CG2 VAL A 173 18.768 -23.677 0.255 1.00 17.03 C ATOM 1595 H VAL A 173 19.633 -22.181 2.564 1.00 0.00 H ATOM 1596 N PHE A 174 20.756 -19.556 0.927 1.00 15.78 N ATOM 1597 CA PHE A 174 21.304 -18.224 0.650 1.00 14.31 C ATOM 1598 C PHE A 174 22.828 -18.206 0.798 1.00 14.32 C ATOM 1599 O PHE A 174 23.541 -17.691 -0.069 1.00 15.49 O ATOM 1600 CB PHE A 174 20.668 -17.183 1.582 1.00 14.25 C ATOM 1601 CG PHE A 174 21.301 -15.820 1.484 1.00 17.95 C ATOM 1602 CD1 PHE A 174 20.913 -14.933 0.490 1.00 17.92 C ATOM 1603 CD2 PHE A 174 22.288 -15.435 2.378 1.00 16.46 C ATOM 1604 CE1 PHE A 174 21.506 -13.660 0.403 1.00 19.81 C ATOM 1605 CE2 PHE A 174 22.903 -14.171 2.284 1.00 16.50 C ATOM 1606 CZ PHE A 174 22.495 -13.289 1.296 1.00 18.37 C ATOM 1607 H PHE A 174 20.053 -19.676 1.684 1.00 0.00 H ATOM 1608 N VAL A 175 23.336 -18.759 1.899 1.00 14.03 N ATOM 1609 CA VAL A 175 24.776 -18.786 2.140 1.00 12.56 C ATOM 1610 C VAL A 175 25.475 -19.554 1.031 1.00 14.75 C ATOM 1611 O VAL A 175 26.518 -19.130 0.524 1.00 16.43 O ATOM 1612 CB VAL A 175 25.074 -19.394 3.526 1.00 14.92 C ATOM 1613 CG1 VAL A 175 26.577 -19.679 3.677 1.00 16.83 C ATOM 1614 CG2 VAL A 175 24.592 -18.474 4.642 1.00 15.98 C ATOM 1615 H VAL A 175 22.694 -19.180 2.601 1.00 0.00 H ATOM 1616 N GLN A 176 24.897 -20.685 0.618 1.00 13.14 N ATOM 1617 CA GLN A 176 25.508 -21.489 -0.432 1.00 14.22 C ATOM 1618 C GLN A 176 25.523 -20.759 -1.770 1.00 14.66 C ATOM 1619 O GLN A 176 26.531 -20.789 -2.487 1.00 16.08 O ATOM 1620 CB GLN A 176 24.749 -22.806 -0.538 1.00 18.64 C ATOM 1621 CG GLN A 176 25.316 -23.814 -1.502 1.00 23.61 C ATOM 1622 CD GLN A 176 24.573 -25.117 -1.368 1.00 25.21 C ATOM 1623 OE1 GLN A 176 25.012 -26.016 -0.655 1.00 29.94 O ATOM 1624 NE2 GLN A 176 23.420 -25.217 -2.028 1.00 22.50 N ATOM 1625 HE22 GLN A 176 23.090 -24.428 -2.620 1.00 0.00 H ATOM 1626 HE21 GLN A 176 22.850 -26.084 -1.951 1.00 0.00 H ATOM 1627 H GLN A 176 24.003 -20.994 1.050 1.00 0.00 H ATOM 1628 N GLN A 177 24.409 -20.117 -2.140 1.00 14.86 N ATOM 1629 CA GLN A 177 24.389 -19.349 -3.381 1.00 16.34 C ATOM 1630 C GLN A 177 25.396 -18.209 -3.332 1.00 16.63 C ATOM 1631 O GLN A 177 26.078 -17.935 -4.325 1.00 16.78 O ATOM 1632 CB GLN A 177 22.982 -18.811 -3.646 1.00 17.72 C ATOM 1633 CG GLN A 177 21.979 -19.868 -4.045 1.00 18.33 C ATOM 1634 CD GLN A 177 20.581 -19.308 -4.235 1.00 17.64 C ATOM 1635 OE1 GLN A 177 20.337 -18.132 -3.970 1.00 19.57 O ATOM 1636 NE2 GLN A 177 19.649 -20.159 -4.672 1.00 22.52 N ATOM 1637 HE22 GLN A 177 19.903 -21.145 -4.883 1.00 0.00 H ATOM 1638 HE21 GLN A 177 18.669 -19.836 -4.801 1.00 0.00 H ATOM 1639 H GLN A 177 23.558 -20.165 -1.544 1.00 0.00 H ATOM 1640 N TYR A 178 25.496 -17.526 -2.189 1.00 13.87 N ATOM 1641 CA TYR A 178 26.463 -16.439 -2.046 1.00 14.12 C ATOM 1642 C TYR A 178 27.886 -16.956 -2.214 1.00 17.79 C ATOM 1643 O TYR A 178 28.666 -16.423 -3.010 1.00 16.12 O ATOM 1644 CB TYR A 178 26.280 -15.776 -0.672 1.00 14.99 C ATOM 1645 CG TYR A 178 26.873 -14.392 -0.497 1.00 14.72 C ATOM 1646 CD1 TYR A 178 28.223 -14.228 -0.197 1.00 16.94 C ATOM 1647 CD2 TYR A 178 26.070 -13.264 -0.576 1.00 16.50 C ATOM 1648 CE1 TYR A 178 28.764 -12.971 -0.010 1.00 18.69 C ATOM 1649 CE2 TYR A 178 26.608 -11.986 -0.379 1.00 17.05 C ATOM 1650 CZ TYR A 178 27.949 -11.860 -0.097 1.00 16.23 C ATOM 1651 OH TYR A 178 28.506 -10.607 0.099 1.00 20.85 O ATOM 1652 HH TYR A 178 28.382 -10.061 -0.717 1.00 0.00 H ATOM 1653 H TYR A 178 24.877 -17.771 -1.390 1.00 0.00 H ATOM 1654 N ALA A 179 28.232 -18.010 -1.480 1.00 15.52 N ATOM 1655 CA ALA A 179 29.597 -18.527 -1.538 1.00 15.47 C ATOM 1656 C ALA A 179 29.923 -19.105 -2.910 1.00 15.24 C ATOM 1657 O ALA A 179 31.051 -18.963 -3.397 1.00 17.45 O ATOM 1658 CB ALA A 179 29.799 -19.578 -0.446 1.00 17.34 C ATOM 1659 H ALA A 179 27.530 -18.467 -0.864 1.00 0.00 H ATOM 1660 N ASP A 180 28.971 -19.802 -3.533 1.00 14.65 N ATOM 1661 CA ASP A 180 29.223 -20.353 -4.862 1.00 15.92 C ATOM 1662 C ASP A 180 29.372 -19.241 -5.893 1.00 16.30 C ATOM 1663 O ASP A 180 30.107 -19.398 -6.878 1.00 17.91 O ATOM 1664 CB ASP A 180 28.094 -21.302 -5.272 1.00 16.75 C ATOM 1665 CG ASP A 180 28.148 -22.650 -4.545 1.00 17.66 C ATOM 1666 OD1 ASP A 180 29.159 -22.959 -3.877 1.00 17.11 O ATOM 1667 OD2 ASP A 180 27.164 -23.405 -4.667 1.00 16.69 O ATOM 1668 H ASP A 180 28.051 -19.953 -3.073 1.00 0.00 H ATOM 1669 N THR A 181 28.675 -18.118 -5.693 1.00 16.34 N ATOM 1670 CA THR A 181 28.861 -16.982 -6.587 1.00 15.65 C ATOM 1671 C THR A 181 30.258 -16.399 -6.438 1.00 16.55 C ATOM 1672 O THR A 181 30.909 -16.080 -7.442 1.00 17.76 O ATOM 1673 CB THR A 181 27.792 -15.916 -6.319 1.00 15.12 C ATOM 1674 OG1 THR A 181 26.505 -16.459 -6.643 1.00 17.04 O ATOM 1675 CG2 THR A 181 28.041 -14.679 -7.200 1.00 17.40 C ATOM 1676 HG1 THR A 181 26.333 -17.256 -6.081 1.00 0.00 H ATOM 1677 H THR A 181 28.002 -18.055 -4.902 1.00 0.00 H ATOM 1678 N VAL A 182 30.735 -16.240 -5.198 1.00 17.45 N ATOM 1679 CA VAL A 182 32.102 -15.757 -5.001 1.00 15.84 C ATOM 1680 C VAL A 182 33.089 -16.676 -5.704 1.00 19.18 C ATOM 1681 O VAL A 182 34.020 -16.213 -6.373 1.00 19.64 O ATOM 1682 CB VAL A 182 32.436 -15.629 -3.503 1.00 15.12 C ATOM 1683 CG1 VAL A 182 33.858 -15.047 -3.326 1.00 17.69 C ATOM 1684 CG2 VAL A 182 31.418 -14.745 -2.795 1.00 16.76 C ATOM 1685 H VAL A 182 30.136 -16.459 -4.377 1.00 0.00 H ATOM 1686 N LYS A 183 32.914 -17.989 -5.548 1.00 17.66 N ATOM 1687 CA LYS A 183 33.819 -18.939 -6.197 1.00 18.41 C ATOM 1688 C LYS A 183 33.788 -18.782 -7.713 1.00 23.39 C ATOM 1689 O LYS A 183 34.844 -18.744 -8.359 1.00 22.55 O ATOM 1690 CB LYS A 183 33.463 -20.369 -5.782 1.00 18.36 C ATOM 1691 CG LYS A 183 34.410 -21.449 -6.354 1.00 19.93 C ATOM 1692 CD LYS A 183 34.043 -22.835 -5.816 1.00 29.09 C ATOM 1693 CE LYS A 183 34.996 -23.903 -6.337 1.00 25.14 C ATOM 1694 NZ LYS A 183 34.798 -24.158 -7.798 1.00 26.53 N ATOM 1695 HZ1 LYS A 183 33.823 -24.480 -7.963 1.00 0.00 H ATOM 1696 HZ2 LYS A 183 34.969 -23.280 -8.328 1.00 0.00 H ATOM 1697 HZ3 LYS A 183 35.465 -24.891 -8.114 1.00 0.00 H ATOM 1698 H LYS A 183 32.130 -18.340 -4.962 1.00 0.00 H ATOM 1699 N TYR A 184 32.588 -18.661 -8.292 1.00 21.48 N ATOM 1700 CA TYR A 184 32.453 -18.435 -9.731 1.00 20.18 C ATOM 1701 C TYR A 184 33.179 -17.163 -10.156 1.00 20.90 C ATOM 1702 O TYR A 184 33.908 -17.148 -11.159 1.00 25.88 O ATOM 1703 CB TYR A 184 30.966 -18.351 -10.101 1.00 22.39 C ATOM 1704 CG TYR A 184 30.668 -17.627 -11.405 1.00 20.71 C ATOM 1705 CD1 TYR A 184 30.766 -18.282 -12.630 1.00 22.15 C ATOM 1706 CD2 TYR A 184 30.264 -16.291 -11.408 1.00 21.61 C ATOM 1707 CE1 TYR A 184 30.488 -17.623 -13.823 1.00 27.49 C ATOM 1708 CE2 TYR A 184 29.995 -15.628 -12.593 1.00 25.57 C ATOM 1709 CZ TYR A 184 30.102 -16.296 -13.793 1.00 31.03 C ATOM 1710 OH TYR A 184 29.824 -15.622 -14.963 1.00 35.98 O ATOM 1711 HH TYR A 184 29.946 -16.234 -15.732 1.00 0.00 H ATOM 1712 H TYR A 184 31.732 -18.729 -7.706 1.00 0.00 H ATOM 1713 N LEU A 185 32.960 -16.071 -9.421 1.00 20.12 N ATOM 1714 CA LEU A 185 33.587 -14.807 -9.795 1.00 20.70 C ATOM 1715 C LEU A 185 35.101 -14.885 -9.662 1.00 21.69 C ATOM 1716 O LEU A 185 35.834 -14.313 -10.478 1.00 25.90 O ATOM 1717 CB LEU A 185 33.030 -13.671 -8.937 1.00 19.66 C ATOM 1718 CG LEU A 185 31.541 -13.360 -9.110 1.00 21.12 C ATOM 1719 CD1 LEU A 185 31.062 -12.396 -8.013 1.00 17.79 C ATOM 1720 CD2 LEU A 185 31.264 -12.792 -10.501 1.00 22.73 C ATOM 1721 H LEU A 185 32.344 -16.120 -8.584 1.00 0.00 H ATOM 1722 N SER A 186 35.592 -15.594 -8.645 1.00 23.46 N ATOM 1723 CA SER A 186 37.031 -15.671 -8.437 1.00 25.83 C ATOM 1724 C SER A 186 37.711 -16.439 -9.561 1.00 32.55 C ATOM 1725 O SER A 186 38.897 -16.223 -9.829 1.00 33.68 O ATOM 1726 CB SER A 186 37.336 -16.325 -7.091 1.00 26.94 C ATOM 1727 OG SER A 186 37.215 -17.729 -7.197 1.00 30.87 O ATOM 1728 HG SER A 186 36.292 -17.960 -7.470 1.00 0.00 H ATOM 1729 H SER A 186 34.946 -16.092 -8.000 1.00 0.00 H ATOM 1730 N GLU A 187 36.979 -17.328 -10.227 1.00 28.82 N ATOM 1731 CA GLU A 187 37.510 -18.142 -11.312 1.00 28.11 C ATOM 1732 C GLU A 187 37.367 -17.486 -12.679 1.00 32.46 C ATOM 1733 O GLU A 187 37.792 -18.074 -13.675 1.00 34.76 O ATOM 1734 CB GLU A 187 36.831 -19.521 -11.319 1.00 29.63 C ATOM 1735 CG GLU A 187 37.179 -20.356 -10.102 1.00 32.43 C ATOM 1736 CD GLU A 187 36.234 -21.532 -9.871 1.00 38.49 C ATOM 1737 OE1 GLU A 187 36.467 -22.280 -8.897 1.00 30.94 O ATOM 1738 OE2 GLU A 187 35.267 -21.712 -10.646 1.00 33.74 O ATOM 1739 H GLU A 187 35.981 -17.447 -9.961 1.00 0.00 H ATOM 1740 N LYS A 188 36.774 -16.298 -12.755 1.00 34.27 N ATOM 1741 CA LYS A 188 36.705 -15.553 -14.006 1.00 43.35 C ATOM 1742 C LYS A 188 38.063 -14.938 -14.325 1.00 50.97 C ATOM 1743 O LYS A 188 38.909 -14.798 -13.439 1.00 52.62 O ATOM 1744 CB LYS A 188 35.637 -14.463 -13.931 1.00 40.18 C ATOM 1745 CG LYS A 188 34.227 -14.984 -13.935 1.00 43.43 C ATOM 1746 CD LYS A 188 33.236 -13.861 -13.700 1.00 42.87 C ATOM 1747 CE LYS A 188 32.891 -13.139 -14.980 1.00 42.49 C ATOM 1748 NZ LYS A 188 32.020 -13.972 -15.855 1.00 42.93 N ATOM 1749 HZ1 LYS A 188 32.515 -14.854 -16.096 1.00 0.00 H ATOM 1750 HZ2 LYS A 188 31.137 -14.195 -15.352 1.00 0.00 H ATOM 1751 HZ3 LYS A 188 31.802 -13.447 -16.726 1.00 0.00 H ATOM 1752 H LYS A 188 36.348 -15.889 -11.899 1.00 0.00 H TER 1753 LYS A 188 HETATM 1754 O HOH 1 42.965 -8.732 5.513 1.00 57.27 O HETATM 1755 O HOH 2 42.417 -5.241 -8.547 1.00 63.17 O HETATM 1756 O HOH 3 36.943 -18.327 8.818 1.00 49.44 O HETATM 1757 O HOH 4 41.171 6.047 -5.439 1.00 31.18 O HETATM 1758 O HOH 5 31.052 15.460 16.815 1.00 36.93 O HETATM 1759 O HOH 6 19.783 -1.636 17.991 1.00 29.22 O HETATM 1760 O HOH 7 25.451 -4.341 -0.116 1.00 50.43 O HETATM 1761 O HOH 8 21.698 0.132 13.317 1.00 38.04 O HETATM 1762 O HOH 9 20.205 -7.895 12.363 1.00 37.66 O HETATM 1763 O HOH 10 45.188 9.887 18.555 1.00 41.17 O HETATM 1764 O HOH 11 41.728 -10.098 -0.379 1.00 47.80 O HETATM 1765 O HOH 12 31.009 6.804 27.767 1.00 44.46 O HETATM 1766 O HOH 13 41.127 -17.617 2.360 1.00 50.48 O HETATM 1767 O HOH 14 33.912 -17.191 12.646 1.00 66.68 O HETATM 1768 O HOH 15 19.776 -5.223 14.137 1.00 33.06 O HETATM 1769 O HOH 16 35.945 -12.021 23.099 1.00 28.06 O HETATM 1770 O HOH 17 37.992 -7.014 -4.556 1.00 30.32 O HETATM 1771 O HOH 18 26.909 -25.912 -4.217 1.00 22.11 O HETATM 1772 O HOH 19 26.637 -14.208 21.004 1.00 46.45 O HETATM 1773 O HOH 20 33.047 3.313 29.026 1.00 24.20 O HETATM 1774 O HOH 21 20.572 -9.085 -15.828 1.00 56.38 O HETATM 1775 O HOH 22 42.976 -25.156 -1.546 1.00 48.83 O HETATM 1776 O HOH 23 37.631 -12.156 -10.854 1.00 40.20 O HETATM 1777 O HOH 24 33.950 -12.202 18.183 1.00 27.40 O HETATM 1778 O HOH 25 34.544 -4.118 -13.528 1.00 45.78 O HETATM 1779 O HOH 26 22.094 -6.647 -3.484 1.00 30.30 O HETATM 1780 O HOH 27 26.005 -4.398 -13.835 1.00 49.07 O HETATM 1781 O HOH 28 44.027 -6.550 1.667 1.00 34.41 O HETATM 1782 O HOH 29 29.549 2.757 10.046 1.00 17.03 O HETATM 1783 O HOH 30 26.438 -4.706 -2.182 1.00 39.48 O HETATM 1784 O HOH 31 31.607 -9.736 10.292 1.00 22.27 O HETATM 1785 O HOH 32 31.124 -0.368 28.758 1.00 25.40 O HETATM 1786 O HOH 33 35.154 1.735 -9.088 1.00 45.12 O HETATM 1787 O HOH 34 37.516 4.264 -8.631 1.00 42.97 O HETATM 1788 O HOH 35 46.181 3.365 29.471 1.00 47.65 O HETATM 1789 O HOH 36 37.186 9.558 19.374 1.00 29.12 O HETATM 1790 O HOH 37 25.616 3.068 19.355 1.00 41.75 O HETATM 1791 O HOH 38 26.191 -9.148 24.475 1.00 31.02 O HETATM 1792 O HOH 39 43.622 -11.698 12.815 1.00 36.51 O HETATM 1793 O HOH 40 30.538 8.943 9.939 1.00 19.53 O HETATM 1794 O HOH 41 32.918 -13.250 9.841 1.00 31.76 O HETATM 1795 O HOH 42 31.495 5.417 1.471 1.00 24.57 O HETATM 1796 O HOH 43 36.709 -10.952 4.010 1.00 19.81 O HETATM 1797 O HOH 44 11.096 -20.617 4.424 1.00 25.25 O HETATM 1798 O HOH 45 45.868 -12.794 15.500 1.00 47.17 O HETATM 1799 O HOH 46 35.619 2.249 4.748 1.00 18.83 O HETATM 1800 O HOH 47 51.520 4.457 20.020 1.00 39.19 O HETATM 1801 O HOH 48 24.760 -22.557 -5.519 1.00 18.10 O HETATM 1802 O HOH 49 43.917 -9.833 -1.935 1.00 51.64 O HETATM 1803 O HOH 50 27.796 -6.916 -2.235 1.00 21.81 O HETATM 1804 O HOH 51 29.169 -3.219 25.219 1.00 28.96 O HETATM 1805 O HOH 52 49.738 -1.435 21.140 1.00 28.73 O HETATM 1806 O HOH 53 42.887 -11.283 24.615 1.00 46.36 O HETATM 1807 O HOH 54 45.805 6.862 15.394 1.00 24.11 O HETATM 1808 O HOH 55 12.487 -22.583 1.044 1.00 44.39 O HETATM 1809 O HOH 56 37.360 2.446 28.593 1.00 32.14 O HETATM 1810 O HOH 57 20.386 -18.367 -18.944 1.00 55.65 O HETATM 1811 O HOH 58 26.891 -8.446 -0.217 1.00 19.20 O HETATM 1812 O HOH 59 26.424 -17.259 16.213 1.00 31.97 O HETATM 1813 O HOH 60 19.879 -2.880 26.687 1.00 26.04 O HETATM 1814 O HOH 61 37.871 -0.971 -3.589 1.00 56.49 O HETATM 1815 O HOH 62 36.339 -15.903 8.082 1.00 33.15 O HETATM 1816 O HOH 63 30.393 -24.092 6.933 1.00 52.79 O HETATM 1817 O HOH 64 25.396 -20.348 7.716 1.00 20.66 O HETATM 1818 O HOH 65 25.005 -22.532 5.939 1.00 36.01 O HETATM 1819 O HOH 66 22.021 -4.113 3.954 1.00 33.74 O HETATM 1820 O HOH 67 45.542 -19.389 -2.536 1.00 48.57 O HETATM 1821 O HOH 68 40.073 -20.031 1.428 1.00 26.29 O HETATM 1822 O HOH 69 23.532 1.623 19.305 1.00 29.27 O HETATM 1823 O HOH 70 28.671 5.920 27.414 1.00 51.35 O HETATM 1824 O HOH 71 37.847 -23.374 -4.437 1.00 30.46 O HETATM 1825 O HOH 72 29.988 -9.713 2.420 1.00 19.92 O HETATM 1826 O HOH 73 30.541 -11.184 6.064 1.00 20.57 O HETATM 1827 O HOH 74 44.640 -4.638 5.135 1.00 40.60 O HETATM 1828 O HOH 75 25.768 -5.793 -6.662 1.00 33.07 O HETATM 1829 O HOH 76 38.102 3.671 21.848 1.00 19.59 O HETATM 1830 O HOH 77 43.008 0.634 0.546 1.00 26.61 O HETATM 1831 O HOH 78 31.506 -15.740 11.994 1.00 28.13 O HETATM 1832 O HOH 79 22.984 -18.843 -7.964 1.00 31.04 O HETATM 1833 O HOH 80 44.870 -8.572 11.247 1.00 27.10 O HETATM 1834 O HOH 81 13.831 -15.850 -1.853 1.00 40.80 O HETATM 1835 O HOH 82 30.015 2.145 29.853 1.00 36.47 O HETATM 1836 O HOH 83 30.670 -21.678 -8.343 1.00 28.60 O HETATM 1837 O HOH 84 52.032 4.857 6.401 1.00 36.94 O HETATM 1838 O HOH 85 27.718 13.341 17.221 1.00 38.20 O HETATM 1839 O HOH 86 39.403 -19.426 -7.010 1.00 29.47 O HETATM 1840 O HOH 87 44.370 -2.899 31.187 1.00 30.15 O HETATM 1841 O HOH 88 21.529 -12.046 18.523 1.00 29.27 O HETATM 1842 O HOH 89 43.575 8.286 8.928 1.00 31.36 O HETATM 1843 O HOH 90 30.617 -13.028 8.102 1.00 17.92 O HETATM 1844 O HOH 91 42.264 -6.288 29.475 1.00 29.88 O HETATM 1845 O HOH 92 29.336 -5.817 24.120 1.00 20.38 O HETATM 1846 O HOH 93 38.570 -21.949 -7.091 1.00 34.56 O HETATM 1847 O HOH 94 17.704 -11.417 -1.305 1.00 43.28 O HETATM 1848 O HOH 95 34.131 -18.453 -13.620 1.00 37.03 O HETATM 1849 O HOH 96 42.987 5.753 28.077 1.00 29.80 O HETATM 1850 O HOH 97 34.309 -7.948 25.054 1.00 21.92 O HETATM 1851 O HOH 98 30.434 -7.613 4.236 1.00 19.72 O HETATM 1852 O HOH 99 38.712 -12.754 24.400 1.00 32.69 O HETATM 1853 O HOH 100 42.492 7.358 2.457 1.00 29.49 O HETATM 1854 O HOH 101 49.984 7.385 9.259 1.00 29.78 O HETATM 1855 O HOH 102 26.198 8.186 21.318 1.00 48.33 O HETATM 1856 O HOH 103 28.594 -22.849 0.839 1.00 26.82 O HETATM 1857 O HOH 104 28.286 -2.605 -9.021 1.00 55.67 O HETATM 1858 O HOH 105 20.772 -19.651 -12.308 1.00 42.38 O HETATM 1859 O HOH 106 30.983 -1.508 26.163 1.00 24.46 O HETATM 1860 O HOH 107 25.816 7.083 16.457 1.00 29.50 O HETATM 1861 O HOH 108 30.676 -22.955 2.652 1.00 27.66 O HETATM 1862 O HOH 109 40.795 -14.729 -8.315 1.00 39.13 O HETATM 1863 O HOH 110 31.355 -20.630 11.064 1.00 43.05 O HETATM 1864 O HOH 111 26.748 -6.484 24.717 1.00 24.60 O HETATM 1865 O HOH 112 43.960 8.866 14.260 1.00 58.96 O HETATM 1866 O HOH 113 23.296 -12.919 20.791 1.00 45.13 O HETATM 1867 O HOH 114 27.348 1.092 -2.972 1.00 33.11 O HETATM 1868 O HOH 115 41.169 9.888 19.748 1.00 49.01 O HETATM 1869 O HOH 116 22.671 -22.980 -3.641 1.00 25.57 O HETATM 1870 O HOH 117 18.231 -16.539 -6.954 1.00 50.36 O HETATM 1871 O HOH 118 24.324 -12.469 23.476 1.00 48.90 O HETATM 1872 O HOH 119 33.882 10.797 18.242 1.00 37.91 O HETATM 1873 O HOH 120 23.554 6.728 10.525 1.00 37.77 O HETATM 1874 O HOH 121 43.074 -13.925 4.257 1.00 39.40 O HETATM 1875 O HOH 122 21.573 -3.924 6.711 1.00 21.64 O HETATM 1876 O HOH 123 35.856 -11.909 27.526 1.00 41.27 O HETATM 1877 O HOH 124 39.331 -23.694 1.800 1.00 51.78 O HETATM 1878 O HOH 125 32.706 8.821 21.145 1.00 41.11 O HETATM 1879 O HOH 126 36.824 -25.379 -1.540 1.00 46.81 O HETATM 1880 O HOH 127 30.052 -15.256 15.088 1.00 27.01 O HETATM 1881 O HOH 128 27.228 11.339 15.559 1.00 23.97 O HETATM 1882 O HOH 129 40.300 -9.131 9.355 1.00 32.49 O HETATM 1883 O HOH 130 40.373 -0.816 -3.298 1.00 41.24 O HETATM 1884 O HOH 131 25.025 -20.233 -7.032 1.00 24.88 O HETATM 1885 O HOH 132 34.500 8.309 25.090 1.00 26.42 O HETATM 1886 O HOH 133 43.312 -2.703 0.771 1.00 41.64 O HETATM 1887 O HOH 134 34.367 4.660 5.155 1.00 19.75 O HETATM 1888 O HOH 135 51.702 0.355 31.025 1.00 43.45 O HETATM 1889 O HOH 136 36.200 -26.685 -8.056 1.00 35.11 O HETATM 1890 O HOH 137 45.903 -11.730 21.407 1.00 56.47 O HETATM 1891 O HOH 138 39.388 -12.695 11.256 1.00 45.55 O HETATM 1892 O HOH 139 50.154 0.292 16.374 1.00 26.89 O HETATM 1893 O HOH 140 45.821 -22.907 -3.032 1.00 53.98 O HETATM 1894 O HOH 141 22.539 -9.802 -17.883 1.00 60.34 O HETATM 1895 O HOH 142 19.269 -23.343 -12.543 1.00 34.36 O HETATM 1896 O HOH 143 25.745 -11.891 -17.743 1.00 43.45 O HETATM 1897 O HOH 144 28.033 0.557 28.668 1.00 49.75 O HETATM 1898 O HOH 145 29.483 -8.397 9.118 1.00 18.04 O HETATM 1899 O HOH 146 47.177 4.231 4.178 1.00 37.71 O HETATM 1900 O HOH 147 26.596 -1.564 -1.803 1.00 35.98 O HETATM 1901 O HOH 148 51.372 8.533 18.811 1.00 46.83 O HETATM 1902 O HOH 149 31.681 -10.814 28.710 1.00 47.59 O HETATM 1903 O HOH 150 46.520 -11.293 18.580 1.00 37.30 O HETATM 1904 O HOH 151 40.735 -7.335 7.277 1.00 21.07 O HETATM 1905 O HOH 152 25.053 -23.382 3.597 1.00 31.31 O HETATM 1906 O HOH 153 13.841 -24.697 2.302 1.00 27.20 O HETATM 1907 O HOH 154 41.504 -12.476 15.122 1.00 24.73 O HETATM 1908 O HOH 155 32.735 -22.991 -9.576 1.00 21.23 O HETATM 1909 O HOH 156 42.196 5.184 23.623 1.00 32.69 O HETATM 1910 O HOH 157 28.549 -21.783 9.143 1.00 33.35 O HETATM 1911 O HOH 158 31.855 -15.713 9.120 1.00 21.97 O HETATM 1912 O HOH 159 49.368 0.597 8.606 1.00 31.54 O HETATM 1913 O HOH 160 32.723 1.608 -10.808 1.00 54.09 O HETATM 1914 O HOH 161 40.692 10.150 16.150 1.00 40.71 O HETATM 1915 O HOH 162 29.222 -10.452 23.160 1.00 35.53 O HETATM 1916 O HOH 163 27.524 6.572 -2.759 1.00 40.34 O HETATM 1917 O HOH 164 36.312 -11.715 8.506 1.00 22.09 O HETATM 1918 O HOH 165 31.206 12.106 19.846 1.00 47.20 O HETATM 1919 O HOH 166 50.446 -6.661 16.762 1.00 50.30 O HETATM 1920 O HOH 167 46.692 -8.856 25.706 1.00 45.54 O HETATM 1921 O HOH 168 27.690 9.098 17.176 1.00 26.14 O HETATM 1922 O HOH 169 49.148 -8.200 19.145 1.00 45.40 O HETATM 1923 O HOH 170 43.664 7.462 24.011 1.00 35.34 O HETATM 1924 O HOH 171 22.508 -24.833 9.396 1.00 40.50 O HETATM 1925 O HOH 172 43.075 9.464 17.210 1.00 29.47 O HETATM 1926 O HOH 173 44.212 -12.799 18.910 1.00 35.92 O HETATM 1927 O HOH 174 34.046 -20.971 -13.361 1.00 37.99 O HETATM 1928 O HOH 175 47.680 -1.696 30.730 1.00 34.23 O HETATM 1929 O HOH 176 23.894 -0.003 4.171 1.00 34.08 O HETATM 1930 O HOH 177 44.769 3.904 -6.253 1.00 42.45 O HETATM 1931 O HOH 178 29.663 0.766 -11.161 1.00 61.23 O HETATM 1932 O HOH 179 41.732 8.929 4.647 1.00 46.41 O HETATM 1933 O HOH 180 42.052 -12.984 17.872 1.00 32.60 O HETATM 1934 O HOH 181 44.172 -13.796 -3.127 1.00 51.58 O HETATM 1935 O HOH 182 50.156 -3.522 27.565 1.00 49.67 O HETATM 1936 O HOH 183 34.703 7.764 29.917 1.00 43.35 O HETATM 1937 O HOH 184 20.405 -12.358 14.953 1.00 48.63 O HETATM 1938 O HOH 185 32.953 5.454 30.646 1.00 45.05 O HETATM 1939 O HOH 186 49.914 -3.004 30.122 1.00 38.29 O HETATM 1940 O HOH 187 50.625 0.237 18.986 1.00 30.65 O HETATM 1941 O HOH 188 18.801 -12.703 24.563 1.00 45.09 O HETATM 1942 O HOH 189 24.368 5.745 2.844 1.00 42.31 O HETATM 1943 O HOH 190 23.022 -1.702 6.586 1.00 24.92 O HETATM 1944 O HOH 191 33.529 -8.205 11.593 1.00 20.90 O HETATM 1945 O HOH 192 23.689 -10.045 25.034 1.00 46.17 O HETATM 1946 O HOH 193 51.618 2.018 8.003 1.00 32.47 O HETATM 1947 O HOH 194 50.571 -3.743 13.064 1.00 44.73 O HETATM 1948 O HOH 195 44.981 -9.831 23.432 1.00 48.24 O HETATM 1949 O HOH 196 39.844 -13.233 -16.472 1.00 54.16 O HETATM 1950 O HOH 197 41.742 9.145 7.336 1.00 38.08 O HETATM 1951 O HOH 198 31.729 -6.795 25.659 1.00 33.99 O HETATM 1952 O HOH 199 21.785 -0.224 16.142 1.00 43.10 O HETATM 1953 O HOH 200 43.377 -7.096 6.839 1.00 34.25 O HETATM 1954 O HOH 201 39.861 -12.567 28.315 1.00 46.55 O HETATM 1955 O HOH 202 45.698 4.442 2.112 1.00 36.59 O HETATM 1956 O HOH 203 34.643 -10.631 25.177 1.00 29.11 O HETATM 1957 O HOH 204 21.752 -15.191 21.424 1.00 48.90 O HETATM 1958 O HOH 205 27.331 4.777 -17.361 1.00 55.65 O HETATM 1959 O HOH 206 42.670 -0.112 -1.702 1.00 49.20 O HETATM 1960 O HOH 207 23.804 -4.954 -2.684 1.00 62.54 O HETATM 1961 O HOH 208 47.956 7.215 5.170 1.00 44.57 O HETATM 1962 O HOH 209 32.159 -4.551 27.247 1.00 42.76 O HETATM 1963 O HOH 210 22.830 4.108 11.517 1.00 43.50 O HETATM 1964 O HOH 211 37.370 8.211 25.306 1.00 37.50 O HETATM 1965 O HOH 212 20.200 -20.746 -17.918 1.00 50.42 O HETATM 1966 O HOH 213 34.961 -12.708 -17.879 1.00 46.39 O HETATM 1967 O HOH 214 35.553 -13.946 9.682 1.00 29.43 O HETATM 1968 O HOH 215 17.573 -5.643 7.950 1.00 38.27 O HETATM 1969 O HOH 216 38.365 5.964 26.063 1.00 35.24 O HETATM 1970 O HOH 217 39.191 8.109 22.561 1.00 36.88 O HETATM 1971 O HOH 218 28.039 9.610 19.665 1.00 41.22 O HETATM 1972 O HOH 219 50.327 -2.377 15.702 1.00 38.54 O HETATM 1973 O HOH 220 52.722 2.055 19.744 1.00 40.73 O HETATM 1974 O HOH 221 26.963 -5.899 27.635 1.00 45.28 O HETATM 1975 O HOH 222 30.257 9.972 20.572 1.00 43.23 O HETATM 1976 O HOH 223 24.441 -0.375 -2.435 1.00 56.03 O HETATM 1977 O HOH 224 28.008 -15.292 16.868 1.00 25.56 O HETATM 1978 O HOH 225 53.534 -7.773 29.734 1.00 55.57 O HETATM 1979 O HOH 226 18.873 -3.418 7.058 1.00 39.16 O HETATM 1980 O HOH 227 39.716 5.521 22.929 1.00 34.11 O HETATM 1981 O HOH 228 53.155 -10.085 30.176 1.00 60.53 O HETATM 1982 O HOH 229 28.933 -3.620 28.664 1.00 46.72 O HETATM 1983 O HOH 230 35.329 10.503 21.370 1.00 44.82 O HETATM 1984 O HOH 231 31.675 -5.305 29.435 1.00 56.77 O HETATM 1985 O HOH 232 32.121 -11.468 25.500 1.00 59.32 O HETATM 1986 O HOH 233 45.126 -6.942 8.755 1.00 46.27 O HETATM 1987 O HOH 234 21.605 2.111 17.102 1.00 51.14 O HETATM 1988 O HOH 235 44.705 6.944 0.990 1.00 50.92 O HETATM 1989 O HOH 236 37.701 -12.053 6.237 1.00 23.67 O HETATM 1990 O HOH 237 42.723 8.150 12.081 1.00 43.71 O HETATM 1991 O HOH 238 45.163 -15.067 19.433 1.00 63.20 O HETATM 1992 O HOH 239 37.861 -14.791 6.015 1.00 29.97 O HETATM 1993 O HOH 240 30.642 16.722 19.289 1.00 55.27 O HETATM 1994 O HOH 241 35.288 -14.429 22.109 1.00 53.66 O HETATM 1995 O HOH 242 45.775 9.809 7.329 1.00 49.63 O HETATM 1996 O HOH 243 22.107 -3.083 29.151 1.00 55.40 O HETATM 1997 O HOH 244 29.604 -7.295 28.655 1.00 56.36 O HETATM 1998 O HOH 245 33.126 -13.430 20.777 1.00 43.19 O HETATM 1999 O HOH 246 51.914 -1.652 22.836 1.00 58.93 O HETATM 2000 O HOH 247 37.597 -12.981 -17.074 1.00 58.74 O HETATM 2001 O HOH 248 30.319 -9.753 25.526 1.00 47.22 O HETATM 2002 O HOH 249 43.281 -12.661 28.722 1.00 57.51 O HETATM 2003 O HOH 250 24.311 -5.258 28.794 1.00 40.88 O HETATM 2004 O HOH 251 36.211 -27.587 -5.586 1.00 51.39 O HETATM 2005 O HOH 252 21.555 -12.325 27.252 1.00 42.35 O HETATM 2006 O HOH 253 29.509 -8.635 6.494 1.00 26.13 O HETATM 2007 O HOH 254 30.688 -12.736 22.918 1.00 44.28 O HETATM 2008 O HOH 255 45.439 1.947 0.437 1.00 53.04 O HETATM 2009 O HOH 256 45.669 -7.225 -0.507 1.00 45.89 O HETATM 2010 O HOH 257 41.820 9.396 23.562 1.00 51.44 O HETATM 2011 O HOH 258 49.003 -3.507 10.911 1.00 34.99 O HETATM 2012 O HOH 259 46.674 -10.772 12.029 1.00 51.85 O HETATM 2013 O HOH 260 49.898 -1.826 9.099 1.00 33.84 O HETATM 2014 O HOH 261 51.331 -3.572 17.920 1.00 54.94 O HETATM 2015 O HOH 262 37.907 -10.365 10.199 1.00 24.29 O HETATM 2016 O HOH 263 28.364 -15.738 19.273 1.00 37.94 O HETATM 2017 O HOH 264 24.811 5.530 18.357 1.00 40.00 O HETATM 2018 O HOH 265 35.832 -5.568 -15.988 1.00 58.14 O HETATM 2019 O HOH 266 46.068 12.992 11.012 1.00 48.81 O HETATM 2020 O HOH 267 37.937 9.531 28.002 1.00 55.28 O HETATM 2021 O HOH 268 38.419 -5.554 -16.360 1.00 47.61 O HETATM 2022 O HOH 269 22.271 4.704 16.939 1.00 58.03 O HETATM 2023 C12 OVG A 270 18.883 -12.492 4.363 1.00 0.04 C HETATM 2024 C11 OVG A 270 18.789 -11.498 3.086 1.00 0.02 C HETATM 2025 C10 OVG A 270 19.871 -10.494 2.865 1.00 -0.02 C HETATM 2026 C15 OVG A 270 21.102 -10.543 3.521 1.00 0.07 C HETATM 2027 O16 OVG A 270 21.925 -9.479 3.133 1.00 -0.27 O HETATM 2028 C17 OVG A 270 21.268 -8.702 2.214 1.00 0.11 C HETATM 2029 C09 OVG A 270 19.991 -9.278 2.001 1.00 -0.01 C HETATM 2030 C08 OVG A 270 19.191 -8.593 1.081 1.00 -0.08 C HETATM 2031 C07 OVG A 270 19.612 -7.415 0.402 1.00 -0.04 C HETATM 2032 C06 OVG A 270 20.891 -6.855 0.630 1.00 0.08 C HETATM 2033 C18 OVG A 270 21.728 -7.520 1.556 1.00 -0.00 C HETATM 2034 H15 OVG A 270 22.718 -7.133 1.766 1.00 0.05 H HETATM 2035 O05 OVG A 270 21.298 -5.680 -0.053 1.00 -0.32 O HETATM 2036 C04 OVG A 270 20.415 -4.509 -0.016 1.00 0.07 C HETATM 2037 C03 OVG A 270 20.701 -3.582 1.217 1.00 -0.03 C HETATM 2038 C02 OVG A 270 21.471 -2.283 0.855 1.00 -0.05 C HETATM 2039 C01 OVG A 270 22.995 -2.501 0.721 1.00 -0.07 C HETATM 2040 H2 OVG A 270 23.481 -1.548 0.465 1.00 0.02 H HETATM 2041 H3 OVG A 270 23.192 -3.237 -0.072 1.00 0.02 H HETATM 2042 H4 OVG A 270 23.398 -2.873 1.675 1.00 0.02 H HETATM 2043 H5 OVG A 270 21.086 -1.903 -0.103 1.00 0.03 H HETATM 2044 H6 OVG A 270 21.292 -1.538 1.644 1.00 0.03 H HETATM 2045 H7 OVG A 270 19.739 -3.301 1.671 1.00 0.03 H HETATM 2046 H8 OVG A 270 21.299 -4.149 1.946 1.00 0.03 H HETATM 2047 H9 OVG A 270 20.562 -3.926 -0.937 1.00 0.06 H HETATM 2048 H10 OVG A 270 19.372 -4.855 0.036 1.00 0.06 H HETATM 2049 H11 OVG A 270 18.940 -6.938 -0.303 1.00 0.05 H HETATM 2050 H12 OVG A 270 18.199 -8.979 0.874 1.00 0.05 H HETATM 2051 H1 OVG A 270 21.385 -11.309 4.241 1.00 0.09 H HETATM 2052 H13 OVG A 270 17.846 -10.939 3.182 1.00 0.05 H HETATM 2053 H14 OVG A 270 18.750 -12.131 2.188 1.00 0.05 H HETATM 2054 O13 OVG A 270 19.829 -13.329 4.367 1.00 -0.57 O HETATM 2055 O14 OVG A 270 18.039 -12.422 5.307 1.00 -0.57 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 268 267 293 CONECT 293 268 292 CONECT 2023 2024 2054 2055 CONECT 2024 2023 2025 2052 2053 CONECT 2025 2024 2026 2029 CONECT 2026 2025 2027 2051 CONECT 2027 2026 2028 CONECT 2028 2027 2029 2033 CONECT 2029 2025 2028 2030 CONECT 2030 2029 2031 2050 CONECT 2031 2030 2032 2049 CONECT 2032 2031 2033 2035 CONECT 2033 2028 2032 2034 CONECT 2034 2033 CONECT 2035 2032 2036 CONECT 2036 2035 2037 2047 2048 CONECT 2037 2036 2038 2045 2046 CONECT 2038 2037 2039 2043 2044 CONECT 2039 2038 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 CONECT 2043 2038 CONECT 2044 2038 CONECT 2045 2037 CONECT 2046 2037 CONECT 2047 2036 CONECT 2048 2036 CONECT 2049 2031 CONECT 2050 2030 CONECT 2051 2026 CONECT 2052 2024 CONECT 2053 2024 CONECT 2054 2023 CONECT 2055 2023 MASTER 0 0 0 0 0 0 0 0 2054 1 39 15 END
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Structure:
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Related entries of code: 6poh
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6poh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Thiol:disulfide interchange protein DsbA
Ligand Name
OVG
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
Kd=1970uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Molecules Vol. 24: pp. 3756
Ligand Properties
Formula
C
1
4
H
1
6
O
4
Molecular Weight
248.274
Exact Mass
248.105
No. of atoms
34
No. of bonds
35
Polar Surface Area
59.67
LOGP Value
4.45 (
Computed with XLOGP3
)
3.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CCCCOc1ccc2c(c1)occ2CC(=O)O
InChI String
InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0AEG4
Entrez Gene ID
NCBI Entrez Gene ID:
61755786
948353
ASD
Information of known allosteric effects of PDB entries
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