Browse entries in the PDBbind-CN Database
HEADER 5TZO_COMPLEX COMPND 5TZO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 185 MET SER THR ASP TYR TRP LEU ASN PHE THR ASP GLY GLY SEQRES 2 A 185 GLY ILE VAL ASN ALA VAL ASN GLY SER GLY GLY ASN TYR SEQRES 3 A 185 SER VAL ASN TRP SER ASN THR GLY SER PHE VAL VAL GLY SEQRES 4 A 185 LYS GLY TRP THR THR GLY SER PRO PHE ARG THR ILE ASN SEQRES 5 A 185 TYR ASN ALA GLY VAL TRP ALA PRO ASN GLY TRP GLY ALA SEQRES 6 A 185 LEU ALA LEU VAL GLY TRP THR ARG SER PRO LEU ILE ALA SEQRES 7 A 185 TYR TYR VAL VAL ASP SER TRP GLY THR ALA ARG TRP THR SEQRES 8 A 185 GLY THR TYR LYS GLY THR VAL LYS SER ASP GLY GLY THR SEQRES 9 A 185 TYR ASP ILE TYR THR THR THR ARG TYR ASN ALA PRO SER SEQRES 10 A 185 ILE ASP GLY ASP ARG THR THR PHE THR GLN TYR TRP SER SEQRES 11 A 185 VAL ARG GLN SER LYS ARG PRO THR GLY SER ASN ALA THR SEQRES 12 A 185 ILE THR PHE SER ASN HIS VAL ASN ALA TRP LYS SER HIS SEQRES 13 A 185 GLY MET ASN LEU GLY SER ASN TRP ALA TYR GLN VAL MET SEQRES 14 A 185 ALA THR ALA GLY TYR GLN SER SER GLY SER SER ASN VAL SEQRES 15 A 185 THR VAL TRP HET K A 1 1 HET K A 2 1 HET UNN A 405 54 ATOM 1 N MET A 1 -3.560 6.963 6.303 1.00 44.01 N ATOM 2 CA MET A 1 -4.751 6.448 7.043 1.00 50.09 C ATOM 3 C MET A 1 -5.367 5.291 6.262 1.00 36.35 C ATOM 4 O MET A 1 -5.921 5.487 5.185 1.00 37.41 O ATOM 5 CB MET A 1 -5.781 7.557 7.260 1.00 54.74 C ATOM 6 HN3 MET A 1 -3.855 7.294 5.362 1.00 0.00 H ATOM 7 HN2 MET A 1 -2.861 6.200 6.200 1.00 0.00 H ATOM 8 HN1 MET A 1 -3.138 7.752 6.833 1.00 0.00 H ATOM 9 N SER A 2 -5.268 4.089 6.818 1.00 29.13 N ATOM 10 CA SER A 2 -5.713 2.896 6.121 1.00 21.58 C ATOM 11 C SER A 2 -7.236 2.796 6.153 1.00 14.59 C ATOM 12 O SER A 2 -7.909 3.362 7.018 1.00 12.90 O ATOM 13 CB SER A 2 -5.084 1.651 6.747 1.00 25.73 C ATOM 14 OG SER A 2 -5.077 0.568 5.838 1.00 30.43 O ATOM 15 HG SER A 2 -4.554 0.816 5.035 1.00 0.00 H ATOM 16 H SER A 2 -4.863 4.001 7.772 1.00 0.00 H ATOM 17 N THR A 3 -7.778 2.059 5.190 1.00 16.38 N ATOM 18 CA THR A 3 -9.214 1.870 5.126 1.00 10.09 C ATOM 19 C THR A 3 -9.702 1.118 6.355 1.00 10.48 C ATOM 20 O THR A 3 -8.965 0.357 6.985 1.00 11.41 O ATOM 21 CB THR A 3 -9.594 1.106 3.866 1.00 12.01 C ATOM 22 OG1 THR A 3 -8.885 -0.140 3.861 1.00 14.14 O ATOM 23 CG2 THR A 3 -9.238 1.934 2.609 1.00 10.51 C ATOM 24 HG1 THR A 3 -9.135 -0.664 4.663 1.00 0.00 H ATOM 25 H THR A 3 -7.167 1.614 4.476 1.00 0.00 H ATOM 26 N ASP A 4 -10.964 1.358 6.702 1.00 9.65 N ATOM 27 CA ASP A 4 -11.552 0.682 7.851 1.00 10.13 C ATOM 28 C ASP A 4 -13.026 0.387 7.618 1.00 9.29 C ATOM 29 O ASP A 4 -13.760 0.206 8.593 1.00 11.66 O ATOM 30 CB ASP A 4 -11.397 1.517 9.127 1.00 11.14 C ATOM 31 CG ASP A 4 -12.076 2.881 9.029 1.00 16.39 C ATOM 32 OD1 ASP A 4 -12.989 3.056 8.184 1.00 13.11 O ATOM 33 OD2 ASP A 4 -11.691 3.781 9.811 1.00 18.43 O ATOM 34 H ASP A 4 -11.533 2.031 6.150 1.00 0.00 H ATOM 35 N TYR A 5 -13.483 0.353 6.368 1.00 9.28 N ATOM 36 CA TYR A 5 -14.900 0.184 6.081 1.00 10.19 C ATOM 37 C TYR A 5 -15.111 -0.686 4.849 1.00 12.05 C ATOM 38 O TYR A 5 -14.442 -0.512 3.830 1.00 9.36 O ATOM 39 CB TYR A 5 -15.566 1.543 5.859 1.00 9.70 C ATOM 40 CG TYR A 5 -17.071 1.503 5.899 1.00 9.74 C ATOM 41 CD1 TYR A 5 -17.749 1.506 7.116 1.00 11.52 C ATOM 42 CD2 TYR A 5 -17.815 1.472 4.727 1.00 10.88 C ATOM 43 CE1 TYR A 5 -19.134 1.483 7.159 1.00 12.77 C ATOM 44 CE2 TYR A 5 -19.201 1.456 4.763 1.00 9.14 C ATOM 45 CZ TYR A 5 -19.849 1.456 5.985 1.00 11.29 C ATOM 46 OH TYR A 5 -21.230 1.414 6.038 1.00 12.25 O ATOM 47 HH TYR A 5 -21.523 1.420 6.984 1.00 0.00 H ATOM 48 H TYR A 5 -12.812 0.449 5.579 1.00 0.00 H ATOM 49 N TRP A 6 -16.074 -1.599 4.951 1.00 9.32 N ATOM 50 CA TRP A 6 -16.474 -2.496 3.866 1.00 9.61 C ATOM 51 C TRP A 6 -17.933 -2.220 3.504 1.00 8.64 C ATOM 52 O TRP A 6 -18.847 -2.577 4.257 1.00 10.37 O ATOM 53 CB TRP A 6 -16.260 -3.949 4.282 1.00 8.70 C ATOM 54 CG TRP A 6 -16.818 -5.009 3.358 1.00 8.76 C ATOM 55 CD1 TRP A 6 -17.650 -6.036 3.709 1.00 10.88 C ATOM 56 CD2 TRP A 6 -16.560 -5.167 1.954 1.00 9.65 C ATOM 57 NE1 TRP A 6 -17.930 -6.813 2.614 1.00 12.61 N ATOM 58 CE2 TRP A 6 -17.282 -6.299 1.522 1.00 11.09 C ATOM 59 CE3 TRP A 6 -15.807 -4.447 1.015 1.00 9.13 C ATOM 60 CZ2 TRP A 6 -17.267 -6.739 0.193 1.00 13.24 C ATOM 61 CZ3 TRP A 6 -15.792 -4.882 -0.301 1.00 11.91 C ATOM 62 CH2 TRP A 6 -16.514 -6.017 -0.700 1.00 11.35 C ATOM 63 HE1 TRP A 6 -18.537 -7.657 2.613 1.00 0.00 H ATOM 64 H TRP A 6 -16.574 -1.680 5.859 1.00 0.00 H ATOM 65 N LEU A 7 -18.142 -1.584 2.350 1.00 10.52 N ATOM 66 CA LEU A 7 -19.468 -1.285 1.818 1.00 10.30 C ATOM 67 C LEU A 7 -19.925 -2.407 0.890 1.00 10.50 C ATOM 68 O LEU A 7 -19.224 -2.759 -0.060 1.00 10.52 O ATOM 69 CB LEU A 7 -19.431 0.041 1.058 1.00 11.68 C ATOM 70 CG LEU A 7 -20.685 0.460 0.294 1.00 11.38 C ATOM 71 CD1 LEU A 7 -21.875 0.548 1.226 1.00 14.67 C ATOM 72 CD2 LEU A 7 -20.460 1.788 -0.419 1.00 8.94 C ATOM 73 H LEU A 7 -17.313 -1.284 1.798 1.00 0.00 H ATOM 74 N ASN A 8 -21.097 -2.977 1.168 1.00 9.54 N ATOM 75 CA ASN A 8 -21.598 -4.088 0.361 1.00 12.33 C ATOM 76 C ASN A 8 -23.123 -3.995 0.385 1.00 9.66 C ATOM 77 O ASN A 8 -23.763 -4.469 1.324 1.00 13.41 O ATOM 78 CB ASN A 8 -21.079 -5.407 0.920 1.00 15.58 C ATOM 79 CG ASN A 8 -21.425 -6.600 0.065 1.00 17.48 C ATOM 80 OD1 ASN A 8 -21.964 -6.481 -1.030 1.00 14.36 O ATOM 81 ND2 ASN A 8 -21.113 -7.772 0.576 1.00 23.60 N ATOM 82 HD22 ASN A 8 -20.656 -7.828 1.509 1.00 0.00 H ATOM 83 HD21 ASN A 8 -21.323 -8.642 0.047 1.00 0.00 H ATOM 84 H ASN A 8 -21.662 -2.627 1.968 1.00 0.00 H ATOM 85 N PHE A 9 -23.686 -3.339 -0.637 1.00 11.54 N ATOM 86 CA PHE A 9 -25.116 -3.052 -0.702 1.00 13.38 C ATOM 87 C PHE A 9 -25.693 -3.401 -2.070 1.00 13.07 C ATOM 88 O PHE A 9 -25.084 -3.100 -3.097 1.00 13.38 O ATOM 89 CB PHE A 9 -25.385 -1.566 -0.426 1.00 11.74 C ATOM 90 CG PHE A 9 -26.764 -1.127 -0.833 1.00 16.34 C ATOM 91 CD1 PHE A 9 -27.840 -1.289 0.026 1.00 20.73 C ATOM 92 CD2 PHE A 9 -26.991 -0.579 -2.089 1.00 23.70 C ATOM 93 CE1 PHE A 9 -29.109 -0.897 -0.350 1.00 35.63 C ATOM 94 CE2 PHE A 9 -28.263 -0.190 -2.469 1.00 44.70 C ATOM 95 CZ PHE A 9 -29.320 -0.352 -1.598 1.00 44.71 C ATOM 96 H PHE A 9 -23.079 -3.020 -1.419 1.00 0.00 H ATOM 97 N THR A 10 -26.868 -4.031 -2.078 1.00 13.51 N ATOM 98 CA THR A 10 -27.634 -4.217 -3.305 1.00 14.28 C ATOM 99 C THR A 10 -29.120 -4.152 -2.981 1.00 18.31 C ATOM 100 O THR A 10 -29.540 -4.382 -1.844 1.00 15.56 O ATOM 101 CB THR A 10 -27.345 -5.560 -3.996 1.00 13.15 C ATOM 102 OG1 THR A 10 -28.157 -6.577 -3.401 1.00 16.31 O ATOM 103 CG2 THR A 10 -25.882 -5.956 -3.879 1.00 11.53 C ATOM 104 HG1 THR A 10 -27.974 -7.444 -3.843 1.00 0.00 H ATOM 105 H THR A 10 -27.249 -4.400 -1.184 1.00 0.00 H ATOM 106 N ASP A 11 -29.917 -3.848 -4.007 1.00 14.58 N ATOM 107 CA ASP A 11 -31.365 -3.888 -3.885 1.00 16.93 C ATOM 108 C ASP A 11 -31.924 -5.291 -4.080 1.00 20.42 C ATOM 109 O ASP A 11 -33.144 -5.466 -4.012 1.00 25.53 O ATOM 110 CB ASP A 11 -32.021 -2.935 -4.885 1.00 22.81 C ATOM 111 CG ASP A 11 -31.746 -3.310 -6.333 1.00 29.56 C ATOM 112 OD1 ASP A 11 -31.151 -4.376 -6.585 1.00 26.18 O ATOM 113 OD2 ASP A 11 -32.136 -2.529 -7.228 1.00 25.34 O ATOM 114 H ASP A 11 -29.492 -3.576 -4.916 1.00 0.00 H ATOM 115 N GLY A 12 -31.071 -6.279 -4.350 1.00 23.80 N ATOM 116 CA GLY A 12 -31.491 -7.659 -4.468 1.00 25.54 C ATOM 117 C GLY A 12 -31.606 -8.182 -5.885 1.00 26.96 C ATOM 118 O GLY A 12 -31.771 -9.396 -6.063 1.00 27.49 O ATOM 119 H GLY A 12 -30.065 -6.049 -4.481 1.00 0.00 H ATOM 120 N GLY A 13 -31.532 -7.315 -6.893 1.00 24.64 N ATOM 121 CA GLY A 13 -31.651 -7.766 -8.276 1.00 29.11 C ATOM 122 C GLY A 13 -30.355 -8.390 -8.783 1.00 19.00 C ATOM 123 O GLY A 13 -29.255 -7.968 -8.430 1.00 24.99 O ATOM 124 H GLY A 13 -31.388 -6.305 -6.692 1.00 0.00 H ATOM 125 N GLY A 14 -30.500 -9.417 -9.611 1.00 24.90 N ATOM 126 CA GLY A 14 -29.365 -10.078 -10.225 1.00 24.03 C ATOM 127 C GLY A 14 -28.420 -10.658 -9.192 1.00 28.53 C ATOM 128 O GLY A 14 -28.809 -10.999 -8.068 1.00 25.33 O ATOM 129 H GLY A 14 -31.458 -9.759 -9.826 1.00 0.00 H ATOM 130 N ILE A 15 -27.151 -10.770 -9.585 1.00 21.99 N ATOM 131 CA ILE A 15 -26.094 -11.329 -8.748 1.00 18.69 C ATOM 132 C ILE A 15 -25.036 -10.256 -8.528 1.00 15.06 C ATOM 133 O ILE A 15 -24.569 -9.634 -9.489 1.00 18.34 O ATOM 134 CB ILE A 15 -25.461 -12.579 -9.391 1.00 25.19 C ATOM 135 CG1 ILE A 15 -26.446 -13.748 -9.361 1.00 38.17 C ATOM 136 CG2 ILE A 15 -24.144 -12.963 -8.681 1.00 26.97 C ATOM 137 CD1 ILE A 15 -25.962 -14.976 -10.114 1.00 51.27 C ATOM 138 H ILE A 15 -26.901 -10.441 -10.539 1.00 0.00 H ATOM 139 N VAL A 16 -24.650 -10.054 -7.269 1.00 15.76 N ATOM 140 CA VAL A 16 -23.512 -9.202 -6.905 1.00 15.72 C ATOM 141 C VAL A 16 -22.661 -10.015 -5.928 1.00 15.37 C ATOM 142 O VAL A 16 -22.920 -10.027 -4.721 1.00 19.35 O ATOM 143 CB VAL A 16 -23.938 -7.867 -6.281 1.00 13.59 C ATOM 144 CG1 VAL A 16 -22.708 -7.002 -5.998 1.00 16.70 C ATOM 145 CG2 VAL A 16 -24.927 -7.120 -7.184 1.00 12.27 C ATOM 146 H VAL A 16 -25.181 -10.523 -6.507 1.00 0.00 H ATOM 147 N ASN A 17 -21.649 -10.712 -6.449 1.00 13.83 N ATOM 148 CA ASN A 17 -20.758 -11.529 -5.622 1.00 14.41 C ATOM 149 C ASN A 17 -19.545 -10.683 -5.260 1.00 12.36 C ATOM 150 O ASN A 17 -18.611 -10.538 -6.054 1.00 18.85 O ATOM 151 CB ASN A 17 -20.342 -12.804 -6.352 1.00 15.53 C ATOM 152 CG ASN A 17 -21.508 -13.758 -6.588 1.00 17.59 C ATOM 153 OD1 ASN A 17 -21.622 -14.360 -7.654 1.00 28.97 O ATOM 154 ND2 ASN A 17 -22.376 -13.901 -5.589 1.00 18.85 N ATOM 155 HD22 ASN A 17 -22.242 -13.372 -4.704 1.00 0.00 H ATOM 156 HD21 ASN A 17 -23.189 -14.542 -5.694 1.00 0.00 H ATOM 157 H ASN A 17 -21.488 -10.674 -7.476 1.00 0.00 H ATOM 158 N ALA A 18 -19.561 -10.127 -4.054 1.00 15.46 N ATOM 159 CA ALA A 18 -18.537 -9.204 -3.580 1.00 13.76 C ATOM 160 C ALA A 18 -17.639 -9.915 -2.585 1.00 15.15 C ATOM 161 O ALA A 18 -18.126 -10.627 -1.706 1.00 16.31 O ATOM 162 CB ALA A 18 -19.166 -7.991 -2.902 1.00 19.79 C ATOM 163 H ALA A 18 -20.346 -10.363 -3.414 1.00 0.00 H ATOM 164 N VAL A 19 -16.333 -9.693 -2.701 1.00 10.85 N ATOM 165 CA VAL A 19 -15.356 -10.367 -1.856 1.00 11.91 C ATOM 166 C VAL A 19 -14.598 -9.314 -1.064 1.00 10.39 C ATOM 167 O VAL A 19 -13.950 -8.432 -1.646 1.00 10.57 O ATOM 168 CB VAL A 19 -14.383 -11.236 -2.671 1.00 11.70 C ATOM 169 CG1 VAL A 19 -13.311 -11.827 -1.772 1.00 14.89 C ATOM 170 CG2 VAL A 19 -15.136 -12.351 -3.388 1.00 23.08 C ATOM 171 H VAL A 19 -15.999 -9.017 -3.417 1.00 0.00 H ATOM 172 N ASN A 20 -14.678 -9.424 0.259 1.00 10.44 N ATOM 173 CA ASN A 20 -13.939 -8.574 1.186 1.00 10.09 C ATOM 174 C ASN A 20 -12.510 -9.106 1.235 1.00 10.60 C ATOM 175 O ASN A 20 -12.237 -10.120 1.867 1.00 11.95 O ATOM 176 CB ASN A 20 -14.613 -8.598 2.560 1.00 10.27 C ATOM 177 CG ASN A 20 -13.892 -7.764 3.589 1.00 12.37 C ATOM 178 OD1 ASN A 20 -12.747 -7.377 3.394 1.00 13.42 O ATOM 179 ND2 ASN A 20 -14.561 -7.497 4.718 1.00 14.34 N ATOM 180 HD22 ASN A 20 -15.533 -7.846 4.841 1.00 0.00 H ATOM 181 HD21 ASN A 20 -14.109 -6.941 5.471 1.00 0.00 H ATOM 182 H ASN A 20 -15.302 -10.156 0.654 1.00 0.00 H ATOM 183 N GLY A 21 -11.597 -8.448 0.523 1.00 11.14 N ATOM 184 CA GLY A 21 -10.225 -8.902 0.425 1.00 11.96 C ATOM 185 C GLY A 21 -9.346 -8.383 1.546 1.00 11.26 C ATOM 186 O GLY A 21 -9.789 -7.721 2.485 1.00 10.84 O ATOM 187 H GLY A 21 -11.878 -7.581 0.022 1.00 0.00 H ATOM 188 N SER A 22 -8.056 -8.680 1.424 1.00 13.33 N ATOM 189 CA SER A 22 -7.103 -8.254 2.435 1.00 14.64 C ATOM 190 C SER A 22 -6.944 -6.739 2.416 1.00 16.31 C ATOM 191 O SER A 22 -6.897 -6.114 1.351 1.00 15.75 O ATOM 192 CB SER A 22 -5.753 -8.930 2.208 1.00 19.16 C ATOM 193 OG SER A 22 -4.819 -8.478 3.163 1.00 28.17 O ATOM 194 HG SER A 22 -3.948 -8.922 3.007 1.00 0.00 H ATOM 195 H SER A 22 -7.726 -9.221 0.599 1.00 0.00 H ATOM 196 N GLY A 23 -6.886 -6.152 3.609 1.00 13.55 N ATOM 197 CA GLY A 23 -6.662 -4.719 3.725 1.00 15.83 C ATOM 198 C GLY A 23 -7.704 -3.933 2.955 1.00 13.81 C ATOM 199 O GLY A 23 -8.905 -4.006 3.236 1.00 14.00 O ATOM 200 H GLY A 23 -7.002 -6.725 4.469 1.00 0.00 H ATOM 201 N GLY A 24 -7.253 -3.126 1.998 1.00 13.54 N ATOM 202 CA GLY A 24 -8.172 -2.311 1.223 1.00 14.33 C ATOM 203 C GLY A 24 -8.573 -2.927 -0.100 1.00 10.32 C ATOM 204 O GLY A 24 -9.100 -2.229 -0.963 1.00 10.38 O ATOM 205 H GLY A 24 -6.233 -3.078 1.803 1.00 0.00 H ATOM 206 N ASN A 25 -8.339 -4.225 -0.282 1.00 13.38 N ATOM 207 CA ASN A 25 -8.650 -4.874 -1.542 1.00 10.42 C ATOM 208 C ASN A 25 -10.033 -5.492 -1.496 1.00 10.40 C ATOM 209 O ASN A 25 -10.508 -5.940 -0.443 1.00 13.17 O ATOM 210 CB ASN A 25 -7.621 -5.963 -1.885 1.00 11.97 C ATOM 211 CG ASN A 25 -8.008 -6.758 -3.130 1.00 15.09 C ATOM 212 OD1 ASN A 25 -7.841 -6.293 -4.272 1.00 15.81 O ATOM 213 ND2 ASN A 25 -8.549 -7.951 -2.917 1.00 11.85 N ATOM 214 HD22 ASN A 25 -8.670 -8.301 -1.945 1.00 0.00 H ATOM 215 HD21 ASN A 25 -8.852 -8.536 -3.722 1.00 0.00 H ATOM 216 H ASN A 25 -7.926 -4.783 0.492 1.00 0.00 H ATOM 217 N TYR A 26 -10.679 -5.508 -2.658 1.00 9.88 N ATOM 218 CA TYR A 26 -11.941 -6.202 -2.818 1.00 9.64 C ATOM 219 C TYR A 26 -12.131 -6.590 -4.280 1.00 9.95 C ATOM 220 O TYR A 26 -11.498 -6.037 -5.189 1.00 10.15 O ATOM 221 CB TYR A 26 -13.107 -5.339 -2.311 1.00 10.09 C ATOM 222 CG TYR A 26 -13.372 -4.119 -3.156 1.00 8.69 C ATOM 223 CD1 TYR A 26 -14.354 -4.146 -4.135 1.00 9.93 C ATOM 224 CD2 TYR A 26 -12.676 -2.930 -2.958 1.00 12.46 C ATOM 225 CE1 TYR A 26 -14.606 -3.059 -4.917 1.00 8.51 C ATOM 226 CE2 TYR A 26 -12.934 -1.825 -3.740 1.00 8.51 C ATOM 227 CZ TYR A 26 -13.902 -1.896 -4.717 1.00 8.45 C ATOM 228 OH TYR A 26 -14.207 -0.814 -5.511 1.00 9.60 O ATOM 229 HH TYR A 26 -14.516 -0.065 -4.942 1.00 0.00 H ATOM 230 H TYR A 26 -10.268 -5.010 -3.473 1.00 0.00 H ATOM 231 N SER A 27 -13.017 -7.553 -4.498 1.00 11.59 N ATOM 232 CA SER A 27 -13.380 -7.970 -5.841 1.00 11.73 C ATOM 233 C SER A 27 -14.893 -8.017 -5.958 1.00 10.61 C ATOM 234 O SER A 27 -15.603 -8.231 -4.972 1.00 10.16 O ATOM 235 CB SER A 27 -12.790 -9.341 -6.195 1.00 13.85 C ATOM 236 OG SER A 27 -13.540 -10.387 -5.605 1.00 13.49 O ATOM 237 HG SER A 27 -14.473 -10.349 -5.934 1.00 0.00 H ATOM 238 H SER A 27 -13.464 -8.022 -3.685 1.00 0.00 H ATOM 239 N VAL A 28 -15.378 -7.807 -7.177 1.00 11.13 N ATOM 240 CA VAL A 28 -16.801 -7.895 -7.484 1.00 13.41 C ATOM 241 C VAL A 28 -16.964 -8.606 -8.822 1.00 16.45 C ATOM 242 O VAL A 28 -16.274 -8.283 -9.797 1.00 15.74 O ATOM 243 CB VAL A 28 -17.514 -6.529 -7.559 1.00 15.01 C ATOM 244 CG1 VAL A 28 -19.013 -6.737 -7.357 1.00 12.12 C ATOM 245 CG2 VAL A 28 -16.991 -5.506 -6.549 1.00 18.61 C ATOM 246 H VAL A 28 -14.716 -7.570 -7.943 1.00 0.00 H ATOM 247 N ASN A 29 -17.894 -9.555 -8.866 1.00 11.87 N ATOM 248 CA ASN A 29 -18.444 -10.101 -10.098 1.00 12.68 C ATOM 249 C ASN A 29 -19.954 -9.936 -10.032 1.00 12.84 C ATOM 250 O ASN A 29 -20.577 -10.357 -9.054 1.00 13.55 O ATOM 251 CB ASN A 29 -18.073 -11.568 -10.266 1.00 15.70 C ATOM 252 CG ASN A 29 -16.588 -11.758 -10.493 1.00 18.75 C ATOM 253 OD1 ASN A 29 -16.093 -11.529 -11.584 1.00 20.99 O ATOM 254 ND2 ASN A 29 -15.867 -12.135 -9.447 1.00 31.92 N ATOM 255 HD22 ASN A 29 -16.331 -12.320 -8.535 1.00 0.00 H ATOM 256 HD21 ASN A 29 -14.837 -12.246 -9.538 1.00 0.00 H ATOM 257 H ASN A 29 -18.251 -9.931 -7.964 1.00 0.00 H ATOM 258 N TRP A 30 -20.539 -9.297 -11.043 1.00 12.84 N ATOM 259 CA TRP A 30 -21.959 -8.976 -10.988 1.00 12.97 C ATOM 260 C TRP A 30 -22.609 -9.238 -12.344 1.00 15.85 C ATOM 261 O TRP A 30 -21.952 -9.232 -13.387 1.00 15.15 O ATOM 262 CB TRP A 30 -22.172 -7.531 -10.511 1.00 12.06 C ATOM 263 CG TRP A 30 -21.755 -6.441 -11.439 1.00 11.78 C ATOM 264 CD1 TRP A 30 -22.565 -5.737 -12.271 1.00 12.05 C ATOM 265 CD2 TRP A 30 -20.434 -5.900 -11.610 1.00 11.36 C ATOM 266 NE1 TRP A 30 -21.837 -4.791 -12.957 1.00 12.27 N ATOM 267 CE2 TRP A 30 -20.528 -4.866 -12.559 1.00 11.42 C ATOM 268 CE3 TRP A 30 -19.190 -6.172 -11.031 1.00 11.07 C ATOM 269 CZ2 TRP A 30 -19.424 -4.122 -12.962 1.00 11.26 C ATOM 270 CZ3 TRP A 30 -18.098 -5.434 -11.435 1.00 11.53 C ATOM 271 CH2 TRP A 30 -18.221 -4.422 -12.388 1.00 11.03 C ATOM 272 HE1 TRP A 30 -22.218 -4.128 -13.662 1.00 0.00 H ATOM 273 H TRP A 30 -19.979 -9.026 -11.876 1.00 0.00 H ATOM 274 N SER A 31 -23.918 -9.487 -12.319 1.00 14.50 N ATOM 275 CA SER A 31 -24.640 -9.769 -13.550 1.00 15.54 C ATOM 276 C SER A 31 -26.116 -9.430 -13.384 1.00 15.95 C ATOM 277 O SER A 31 -26.716 -9.711 -12.344 1.00 19.85 O ATOM 278 CB SER A 31 -24.475 -11.238 -13.961 1.00 25.38 C ATOM 279 OG SER A 31 -24.809 -12.111 -12.901 1.00 24.89 O ATOM 280 HG SER A 31 -25.751 -11.962 -12.637 1.00 0.00 H ATOM 281 H SER A 31 -24.427 -9.480 -11.412 1.00 0.00 H ATOM 282 N ASN A 32 -26.687 -8.838 -14.431 1.00 16.38 N ATOM 283 CA ASN A 32 -28.115 -8.525 -14.504 1.00 19.17 C ATOM 284 C ASN A 32 -28.611 -7.882 -13.211 1.00 21.28 C ATOM 285 O ASN A 32 -29.646 -8.250 -12.654 1.00 20.78 O ATOM 286 CB ASN A 32 -28.914 -9.782 -14.847 1.00 20.25 C ATOM 287 CG ASN A 32 -28.411 -10.468 -16.118 1.00 38.24 C ATOM 288 OD1 ASN A 32 -28.310 -11.694 -16.179 1.00 59.02 O ATOM 289 ND2 ASN A 32 -28.084 -9.675 -17.133 1.00 31.92 N ATOM 290 HD22 ASN A 32 -28.184 -8.644 -17.041 1.00 0.00 H ATOM 291 HD21 ASN A 32 -27.728 -10.085 -18.020 1.00 0.00 H ATOM 292 H ASN A 32 -26.086 -8.584 -15.241 1.00 0.00 H ATOM 293 N THR A 33 -27.860 -6.890 -12.741 1.00 23.22 N ATOM 294 CA THR A 33 -28.107 -6.322 -11.429 1.00 16.13 C ATOM 295 C THR A 33 -29.292 -5.370 -11.441 1.00 20.26 C ATOM 296 O THR A 33 -29.762 -4.914 -12.489 1.00 19.32 O ATOM 297 CB THR A 33 -26.881 -5.557 -10.912 1.00 15.36 C ATOM 298 OG1 THR A 33 -26.635 -4.394 -11.722 1.00 15.97 O ATOM 299 CG2 THR A 33 -25.660 -6.448 -10.918 1.00 14.57 C ATOM 300 HG1 THR A 33 -27.424 -3.798 -11.689 1.00 0.00 H ATOM 301 H THR A 33 -27.084 -6.516 -13.323 1.00 0.00 H ATOM 302 N GLY A 34 -29.787 -5.099 -10.240 1.00 21.35 N ATOM 303 CA GLY A 34 -30.534 -3.892 -9.984 1.00 14.87 C ATOM 304 C GLY A 34 -29.521 -2.838 -9.601 1.00 13.65 C ATOM 305 O GLY A 34 -28.515 -2.671 -10.291 1.00 18.17 O ATOM 306 H GLY A 34 -29.632 -5.774 -9.464 1.00 0.00 H ATOM 307 N SER A 35 -29.742 -2.165 -8.485 1.00 14.20 N ATOM 308 CA SER A 35 -28.852 -1.118 -7.996 1.00 15.26 C ATOM 309 C SER A 35 -27.911 -1.701 -6.946 1.00 11.88 C ATOM 310 O SER A 35 -28.359 -2.405 -6.037 1.00 15.71 O ATOM 311 CB SER A 35 -29.688 0.020 -7.408 1.00 16.10 C ATOM 312 OG SER A 35 -28.883 1.027 -6.849 1.00 21.55 O ATOM 313 HG SER A 35 -29.460 1.742 -6.481 1.00 0.00 H ATOM 314 H SER A 35 -30.591 -2.393 -7.929 1.00 0.00 H ATOM 315 N PHE A 36 -26.605 -1.426 -7.069 1.00 12.30 N ATOM 316 CA PHE A 36 -25.661 -1.926 -6.078 1.00 12.58 C ATOM 317 C PHE A 36 -24.472 -0.979 -5.941 1.00 9.24 C ATOM 318 O PHE A 36 -24.151 -0.208 -6.850 1.00 9.14 O ATOM 319 CB PHE A 36 -25.159 -3.339 -6.437 1.00 10.86 C ATOM 320 CG PHE A 36 -24.188 -3.362 -7.570 1.00 9.87 C ATOM 321 CD1 PHE A 36 -24.631 -3.465 -8.876 1.00 12.94 C ATOM 322 CD2 PHE A 36 -22.820 -3.271 -7.339 1.00 12.07 C ATOM 323 CE1 PHE A 36 -23.737 -3.478 -9.932 1.00 13.27 C ATOM 324 CE2 PHE A 36 -21.923 -3.275 -8.401 1.00 9.38 C ATOM 325 CZ PHE A 36 -22.397 -3.375 -9.701 1.00 9.28 C ATOM 326 H PHE A 36 -26.266 -0.857 -7.871 1.00 0.00 H ATOM 327 N VAL A 37 -23.813 -1.061 -4.785 1.00 11.23 N ATOM 328 CA VAL A 37 -22.509 -0.431 -4.564 1.00 11.13 C ATOM 329 C VAL A 37 -21.691 -1.296 -3.628 1.00 8.87 C ATOM 330 O VAL A 37 -22.189 -1.739 -2.591 1.00 10.06 O ATOM 331 CB VAL A 37 -22.562 0.958 -3.910 1.00 8.99 C ATOM 332 CG1 VAL A 37 -23.764 1.354 -3.102 1.00 13.27 C ATOM 333 CG2 VAL A 37 -21.354 1.859 -4.126 1.00 11.81 C ATOM 334 H VAL A 37 -24.244 -1.597 -4.005 1.00 0.00 H ATOM 335 N VAL A 38 -20.411 -1.463 -3.962 1.00 8.73 N ATOM 336 CA VAL A 38 -19.469 -2.274 -3.194 1.00 9.44 C ATOM 337 C VAL A 38 -18.112 -1.583 -3.176 1.00 8.60 C ATOM 338 O VAL A 38 -17.654 -1.076 -4.205 1.00 8.59 O ATOM 339 CB VAL A 38 -19.324 -3.678 -3.811 1.00 11.01 C ATOM 340 CG1 VAL A 38 -18.219 -4.487 -3.105 1.00 14.13 C ATOM 341 CG2 VAL A 38 -20.649 -4.410 -3.814 1.00 10.57 C ATOM 342 H VAL A 38 -20.063 -0.988 -4.819 1.00 0.00 H ATOM 343 N GLY A 39 -17.433 -1.622 -2.037 1.00 8.62 N ATOM 344 CA GLY A 39 -16.054 -1.176 -2.025 1.00 8.64 C ATOM 345 C GLY A 39 -15.502 -1.024 -0.629 1.00 8.73 C ATOM 346 O GLY A 39 -16.210 -1.110 0.372 1.00 8.78 O ATOM 347 H GLY A 39 -17.884 -1.967 -1.166 1.00 0.00 H ATOM 348 N LYS A 40 -14.190 -0.823 -0.590 1.00 8.81 N ATOM 349 CA LYS A 40 -13.467 -0.516 0.634 1.00 8.96 C ATOM 350 C LYS A 40 -13.237 0.986 0.755 1.00 9.73 C ATOM 351 O LYS A 40 -13.097 1.705 -0.245 1.00 9.94 O ATOM 352 CB LYS A 40 -12.128 -1.244 0.667 1.00 13.80 C ATOM 353 CG LYS A 40 -12.224 -2.754 0.920 1.00 8.91 C ATOM 354 CD LYS A 40 -12.318 -3.113 2.400 1.00 10.51 C ATOM 355 CE LYS A 40 -12.383 -4.638 2.593 1.00 11.15 C ATOM 356 NZ LYS A 40 -11.096 -5.331 2.244 1.00 11.85 N ATOM 357 HZ1 LYS A 40 -10.865 -5.148 1.247 1.00 0.00 H ATOM 358 HZ2 LYS A 40 -10.333 -4.968 2.850 1.00 0.00 H ATOM 359 HZ3 LYS A 40 -11.203 -6.354 2.395 1.00 0.00 H ATOM 360 H LYS A 40 -13.653 -0.888 -1.478 1.00 0.00 H ATOM 361 N GLY A 41 -13.212 1.454 1.994 1.00 9.37 N ATOM 362 CA GLY A 41 -12.966 2.856 2.242 1.00 9.66 C ATOM 363 C GLY A 41 -12.937 3.173 3.714 1.00 9.96 C ATOM 364 O GLY A 41 -12.410 2.404 4.525 1.00 9.99 O ATOM 365 H GLY A 41 -13.370 0.808 2.793 1.00 0.00 H ATOM 366 N TRP A 42 -13.521 4.305 4.073 1.00 10.22 N ATOM 367 CA TRP A 42 -13.423 4.854 5.410 1.00 10.64 C ATOM 368 C TRP A 42 -14.807 5.070 6.002 1.00 10.91 C ATOM 369 O TRP A 42 -15.740 5.489 5.306 1.00 10.67 O ATOM 370 CB TRP A 42 -12.636 6.164 5.386 1.00 11.06 C ATOM 371 CG TRP A 42 -11.231 5.966 4.975 1.00 11.08 C ATOM 372 CD1 TRP A 42 -10.171 5.764 5.803 1.00 11.38 C ATOM 373 CD2 TRP A 42 -10.713 5.944 3.642 1.00 12.73 C ATOM 374 NE1 TRP A 42 -9.022 5.616 5.069 1.00 15.48 N ATOM 375 CE2 TRP A 42 -9.326 5.722 3.739 1.00 11.11 C ATOM 376 CE3 TRP A 42 -11.285 6.092 2.376 1.00 10.59 C ATOM 377 CZ2 TRP A 42 -8.504 5.645 2.619 1.00 12.92 C ATOM 378 CZ3 TRP A 42 -10.477 6.002 1.270 1.00 11.26 C ATOM 379 CH2 TRP A 42 -9.093 5.784 1.397 1.00 10.81 C ATOM 380 HE1 TRP A 42 -8.073 5.450 5.460 1.00 0.00 H ATOM 381 H TRP A 42 -14.076 4.824 3.363 1.00 0.00 H ATOM 382 N THR A 43 -14.918 4.753 7.292 1.00 11.22 N ATOM 383 CA THR A 43 -16.172 4.892 8.021 1.00 11.28 C ATOM 384 C THR A 43 -16.624 6.345 8.062 1.00 13.44 C ATOM 385 O THR A 43 -17.826 6.632 7.959 1.00 14.00 O ATOM 386 CB THR A 43 -16.004 4.337 9.439 1.00 11.68 C ATOM 387 OG1 THR A 43 -15.612 2.955 9.388 1.00 11.17 O ATOM 388 CG2 THR A 43 -17.299 4.455 10.228 1.00 15.90 C ATOM 389 HG1 THR A 43 -14.752 2.875 8.904 1.00 0.00 H ATOM 390 H THR A 43 -14.081 4.394 7.795 1.00 0.00 H ATOM 391 N THR A 44 -15.673 7.271 8.203 1.00 12.03 N ATOM 392 CA THR A 44 -15.929 8.704 8.211 1.00 12.50 C ATOM 393 C THR A 44 -15.178 9.349 7.056 1.00 15.57 C ATOM 394 O THR A 44 -13.941 9.333 7.029 1.00 12.40 O ATOM 395 CB THR A 44 -15.490 9.326 9.537 1.00 14.86 C ATOM 396 OG1 THR A 44 -16.181 8.685 10.614 1.00 19.11 O ATOM 397 CG2 THR A 44 -15.770 10.821 9.536 1.00 17.62 C ATOM 398 HG1 THR A 44 -17.157 8.807 10.498 1.00 0.00 H ATOM 399 H THR A 44 -14.690 6.949 8.314 1.00 0.00 H ATOM 400 N GLY A 45 -15.922 9.933 6.118 1.00 12.51 N ATOM 401 CA GLY A 45 -15.295 10.641 5.021 1.00 15.56 C ATOM 402 C GLY A 45 -14.656 11.940 5.465 1.00 12.77 C ATOM 403 O GLY A 45 -14.945 12.488 6.532 1.00 15.15 O ATOM 404 H GLY A 45 -16.959 9.880 6.174 1.00 0.00 H ATOM 405 N SER A 46 -13.765 12.450 4.617 1.00 14.17 N ATOM 406 CA SER A 46 -13.138 13.729 4.887 1.00 15.38 C ATOM 407 C SER A 46 -13.005 14.521 3.596 1.00 14.86 C ATOM 408 O SER A 46 -12.682 13.941 2.548 1.00 14.71 O ATOM 409 CB SER A 46 -11.754 13.574 5.518 1.00 17.67 C ATOM 410 OG SER A 46 -11.123 14.843 5.616 1.00 21.56 O ATOM 411 HG SER A 46 -11.674 15.442 6.179 1.00 0.00 H ATOM 412 H SER A 46 -13.517 11.926 3.753 1.00 0.00 H ATOM 413 N PRO A 47 -13.240 15.836 3.641 1.00 17.46 N ATOM 414 CA PRO A 47 -12.962 16.674 2.463 1.00 15.05 C ATOM 415 C PRO A 47 -11.484 16.880 2.193 1.00 18.11 C ATOM 416 O PRO A 47 -11.143 17.480 1.167 1.00 19.55 O ATOM 417 CB PRO A 47 -13.640 18.003 2.810 1.00 14.95 C ATOM 418 CG PRO A 47 -13.647 18.057 4.288 1.00 16.30 C ATOM 419 CD PRO A 47 -13.762 16.632 4.771 1.00 20.01 C ATOM 420 N PHE A 48 -10.600 16.439 3.083 1.00 16.65 N ATOM 421 CA PHE A 48 -9.171 16.636 2.909 1.00 18.26 C ATOM 422 C PHE A 48 -8.448 15.345 2.555 1.00 22.24 C ATOM 423 O PHE A 48 -7.224 15.367 2.368 1.00 18.55 O ATOM 424 CB PHE A 48 -8.562 17.242 4.176 1.00 19.08 C ATOM 425 CG PHE A 48 -9.379 18.365 4.765 1.00 22.24 C ATOM 426 CD1 PHE A 48 -9.405 19.613 4.168 1.00 32.73 C ATOM 427 CD2 PHE A 48 -10.113 18.171 5.926 1.00 37.95 C ATOM 428 CE1 PHE A 48 -10.157 20.646 4.713 1.00 50.14 C ATOM 429 CE2 PHE A 48 -10.864 19.199 6.473 1.00 43.18 C ATOM 430 CZ PHE A 48 -10.885 20.436 5.867 1.00 30.77 C ATOM 431 H PHE A 48 -10.941 15.938 3.928 1.00 0.00 H ATOM 432 N ARG A 49 -9.170 14.231 2.437 1.00 14.72 N ATOM 433 CA ARG A 49 -8.524 12.962 2.157 1.00 13.31 C ATOM 434 C ARG A 49 -8.081 12.894 0.705 1.00 13.10 C ATOM 435 O ARG A 49 -8.817 13.268 -0.213 1.00 12.84 O ATOM 436 CB ARG A 49 -9.464 11.794 2.464 1.00 12.71 C ATOM 437 CG ARG A 49 -8.828 10.429 2.167 1.00 16.38 C ATOM 438 CD ARG A 49 -9.645 9.285 2.745 1.00 15.28 C ATOM 439 NE ARG A 49 -9.367 9.120 4.173 1.00 20.16 N ATOM 440 CZ ARG A 49 -10.225 9.324 5.164 1.00 19.14 C ATOM 441 NH1 ARG A 49 -11.472 9.712 4.942 1.00 20.24 N ATOM 442 NH2 ARG A 49 -9.815 9.124 6.400 1.00 21.04 N ATOM 443 HE ARG A 49 -8.408 8.815 4.435 1.00 0.00 H ATOM 444 HH12 ARG A 49 -12.120 9.863 5.742 1.00 0.00 H ATOM 445 HH11 ARG A 49 -11.803 9.865 3.968 1.00 0.00 H ATOM 446 HH22 ARG A 49 -10.467 9.277 7.195 1.00 0.00 H ATOM 447 HH21 ARG A 49 -8.839 8.814 6.580 1.00 0.00 H ATOM 448 H ARG A 49 -10.203 14.271 2.546 1.00 0.00 H ATOM 449 N THR A 50 -6.855 12.423 0.503 1.00 13.65 N ATOM 450 CA THR A 50 -6.394 11.991 -0.806 1.00 13.09 C ATOM 451 C THR A 50 -6.550 10.478 -0.872 1.00 14.93 C ATOM 452 O THR A 50 -5.930 9.759 -0.089 1.00 14.79 O ATOM 453 CB THR A 50 -4.939 12.401 -1.039 1.00 24.92 C ATOM 454 OG1 THR A 50 -4.838 13.836 -1.056 1.00 27.01 O ATOM 455 CG2 THR A 50 -4.450 11.863 -2.362 1.00 18.87 C ATOM 456 HG1 THR A 50 -5.147 14.198 -0.188 1.00 0.00 H ATOM 457 H THR A 50 -6.202 12.361 1.310 1.00 0.00 H ATOM 458 N ILE A 51 -7.374 10.001 -1.798 1.00 14.26 N ATOM 459 CA ILE A 51 -7.689 8.583 -1.923 1.00 11.95 C ATOM 460 C ILE A 51 -6.769 7.971 -2.972 1.00 13.16 C ATOM 461 O ILE A 51 -6.624 8.514 -4.071 1.00 12.71 O ATOM 462 CB ILE A 51 -9.170 8.382 -2.300 1.00 10.99 C ATOM 463 CG1 ILE A 51 -10.094 8.851 -1.160 1.00 14.64 C ATOM 464 CG2 ILE A 51 -9.455 6.930 -2.661 1.00 12.36 C ATOM 465 CD1 ILE A 51 -10.565 10.281 -1.307 1.00 14.67 C ATOM 466 H ILE A 51 -7.814 10.668 -2.463 1.00 0.00 H ATOM 467 N ASN A 52 -6.129 6.856 -2.633 1.00 11.98 N ATOM 468 CA ASN A 52 -5.303 6.118 -3.577 1.00 11.67 C ATOM 469 C ASN A 52 -5.990 4.809 -3.919 1.00 11.74 C ATOM 470 O ASN A 52 -6.607 4.184 -3.057 1.00 11.52 O ATOM 471 CB ASN A 52 -3.927 5.812 -3.001 1.00 15.57 C ATOM 472 CG ASN A 52 -3.200 7.042 -2.543 1.00 17.93 C ATOM 473 OD1 ASN A 52 -2.570 7.729 -3.337 1.00 24.27 O ATOM 474 ND2 ASN A 52 -3.247 7.306 -1.243 1.00 20.98 N ATOM 475 HD22 ASN A 52 -3.796 6.693 -0.607 1.00 0.00 H ATOM 476 HD21 ASN A 52 -2.735 8.126 -0.860 1.00 0.00 H ATOM 477 H ASN A 52 -6.222 6.499 -1.661 1.00 0.00 H ATOM 478 N TYR A 53 -5.900 4.400 -5.178 1.00 11.16 N ATOM 479 CA TYR A 53 -6.427 3.090 -5.511 1.00 10.81 C ATOM 480 C TYR A 53 -5.690 2.527 -6.714 1.00 11.09 C ATOM 481 O TYR A 53 -4.966 3.233 -7.416 1.00 11.52 O ATOM 482 CB TYR A 53 -7.944 3.134 -5.764 1.00 11.47 C ATOM 483 CG TYR A 53 -8.353 3.765 -7.074 1.00 10.35 C ATOM 484 CD1 TYR A 53 -8.650 5.109 -7.150 1.00 10.42 C ATOM 485 CD2 TYR A 53 -8.444 3.006 -8.244 1.00 12.05 C ATOM 486 CE1 TYR A 53 -9.029 5.690 -8.350 1.00 10.44 C ATOM 487 CE2 TYR A 53 -8.807 3.577 -9.430 1.00 11.38 C ATOM 488 CZ TYR A 53 -9.095 4.919 -9.484 1.00 10.42 C ATOM 489 OH TYR A 53 -9.466 5.477 -10.681 1.00 10.47 O ATOM 490 HH TYR A 53 -9.638 6.444 -10.554 1.00 0.00 H ATOM 491 H TYR A 53 -5.464 5.002 -5.906 1.00 0.00 H ATOM 492 N ASN A 54 -5.852 1.219 -6.910 1.00 10.94 N ATOM 493 CA ASN A 54 -5.423 0.554 -8.132 1.00 11.21 C ATOM 494 C ASN A 54 -6.505 -0.458 -8.472 1.00 14.42 C ATOM 495 O ASN A 54 -6.694 -1.438 -7.743 1.00 11.30 O ATOM 496 CB ASN A 54 -4.052 -0.112 -7.952 1.00 15.52 C ATOM 497 CG ASN A 54 -3.524 -0.743 -9.239 1.00 16.28 C ATOM 498 OD1 ASN A 54 -4.292 -1.119 -10.110 1.00 17.70 O ATOM 499 ND2 ASN A 54 -2.201 -0.849 -9.358 1.00 15.52 N ATOM 500 HD22 ASN A 54 -1.582 -0.516 -8.592 1.00 0.00 H ATOM 501 HD21 ASN A 54 -1.788 -1.265 -10.217 1.00 0.00 H ATOM 502 H ASN A 54 -6.301 0.652 -6.163 1.00 0.00 H ATOM 503 N ALA A 55 -7.251 -0.178 -9.538 1.00 10.75 N ATOM 504 CA ALA A 55 -8.255 -1.096 -10.079 1.00 10.52 C ATOM 505 C ALA A 55 -7.555 -2.069 -11.020 1.00 10.95 C ATOM 506 O ALA A 55 -7.387 -1.805 -12.212 1.00 11.27 O ATOM 507 CB ALA A 55 -9.356 -0.326 -10.788 1.00 10.31 C ATOM 508 H ALA A 55 -7.114 0.738 -10.010 1.00 0.00 H ATOM 509 N GLY A 56 -7.150 -3.214 -10.469 1.00 12.75 N ATOM 510 CA GLY A 56 -6.391 -4.184 -11.241 1.00 11.52 C ATOM 511 C GLY A 56 -7.231 -4.926 -12.266 1.00 11.81 C ATOM 512 O GLY A 56 -6.710 -5.384 -13.284 1.00 12.10 O ATOM 513 H GLY A 56 -7.380 -3.415 -9.475 1.00 0.00 H ATOM 514 N VAL A 57 -8.524 -5.078 -12.004 1.00 12.00 N ATOM 515 CA VAL A 57 -9.468 -5.594 -12.989 1.00 11.19 C ATOM 516 C VAL A 57 -10.609 -4.604 -13.080 1.00 10.79 C ATOM 517 O VAL A 57 -11.197 -4.235 -12.057 1.00 10.96 O ATOM 518 CB VAL A 57 -10.009 -6.990 -12.632 1.00 11.15 C ATOM 519 CG1 VAL A 57 -11.076 -7.428 -13.656 1.00 12.46 C ATOM 520 CG2 VAL A 57 -8.874 -7.995 -12.576 1.00 11.59 C ATOM 521 H VAL A 57 -8.877 -4.819 -11.061 1.00 0.00 H ATOM 522 N TRP A 58 -10.902 -4.166 -14.298 1.00 11.00 N ATOM 523 CA TRP A 58 -12.022 -3.262 -14.540 1.00 10.69 C ATOM 524 C TRP A 58 -12.665 -3.658 -15.866 1.00 10.98 C ATOM 525 O TRP A 58 -12.133 -3.366 -16.941 1.00 12.65 O ATOM 526 CB TRP A 58 -11.563 -1.808 -14.533 1.00 10.63 C ATOM 527 CG TRP A 58 -12.723 -0.904 -14.723 1.00 10.67 C ATOM 528 CD1 TRP A 58 -12.909 -0.024 -15.730 1.00 10.46 C ATOM 529 CD2 TRP A 58 -13.889 -0.831 -13.893 1.00 9.91 C ATOM 530 NE1 TRP A 58 -14.135 0.600 -15.592 1.00 10.34 N ATOM 531 CE2 TRP A 58 -14.748 0.121 -14.465 1.00 10.68 C ATOM 532 CE3 TRP A 58 -14.288 -1.484 -12.718 1.00 12.99 C ATOM 533 CZ2 TRP A 58 -15.982 0.446 -13.901 1.00 9.85 C ATOM 534 CZ3 TRP A 58 -15.505 -1.171 -12.171 1.00 12.49 C ATOM 535 CH2 TRP A 58 -16.342 -0.219 -12.759 1.00 11.79 C ATOM 536 HE1 TRP A 58 -14.527 1.315 -16.237 1.00 0.00 H ATOM 537 H TRP A 58 -10.318 -4.475 -15.101 1.00 0.00 H ATOM 538 N ALA A 59 -13.812 -4.332 -15.796 1.00 10.85 N ATOM 539 CA ALA A 59 -14.499 -4.831 -16.986 1.00 12.83 C ATOM 540 C ALA A 59 -15.997 -4.683 -16.795 1.00 10.90 C ATOM 541 O ALA A 59 -16.718 -5.671 -16.598 1.00 15.64 O ATOM 542 CB ALA A 59 -14.119 -6.289 -17.268 1.00 11.98 C ATOM 543 H ALA A 59 -14.233 -4.509 -14.862 1.00 0.00 H ATOM 544 N PRO A 60 -16.499 -3.445 -16.825 1.00 12.46 N ATOM 545 CA PRO A 60 -17.937 -3.211 -16.655 1.00 16.25 C ATOM 546 C PRO A 60 -18.703 -3.329 -17.965 1.00 15.03 C ATOM 547 O PRO A 60 -18.165 -3.155 -19.060 1.00 15.67 O ATOM 548 CB PRO A 60 -17.986 -1.774 -16.125 1.00 11.29 C ATOM 549 CG PRO A 60 -16.817 -1.115 -16.857 1.00 16.34 C ATOM 550 CD PRO A 60 -15.735 -2.184 -16.868 1.00 11.84 C ATOM 551 N ASN A 61 -19.993 -3.620 -17.826 1.00 19.67 N ATOM 552 CA ASN A 61 -20.933 -3.599 -18.936 1.00 15.68 C ATOM 553 C ASN A 61 -22.155 -2.822 -18.486 1.00 15.07 C ATOM 554 O ASN A 61 -22.624 -2.994 -17.357 1.00 18.51 O ATOM 555 CB ASN A 61 -21.347 -5.005 -19.363 1.00 19.98 C ATOM 556 CG ASN A 61 -20.192 -5.821 -19.884 1.00 39.66 C ATOM 557 OD1 ASN A 61 -19.462 -5.390 -20.775 1.00 49.61 O ATOM 558 ND2 ASN A 61 -20.014 -7.007 -19.322 1.00 41.94 N ATOM 559 HD22 ASN A 61 -20.658 -7.329 -18.571 1.00 0.00 H ATOM 560 HD21 ASN A 61 -19.230 -7.617 -19.631 1.00 0.00 H ATOM 561 H ASN A 61 -20.346 -3.874 -16.881 1.00 0.00 H ATOM 562 N GLY A 62 -22.665 -1.958 -19.357 1.00 16.28 N ATOM 563 CA GLY A 62 -23.788 -1.148 -18.932 1.00 19.59 C ATOM 564 C GLY A 62 -23.353 -0.094 -17.927 1.00 18.19 C ATOM 565 O GLY A 62 -22.196 0.330 -17.900 1.00 15.68 O ATOM 566 H GLY A 62 -22.270 -1.866 -20.315 1.00 0.00 H ATOM 567 N TRP A 63 -24.292 0.332 -17.080 1.00 12.38 N ATOM 568 CA TRP A 63 -24.051 1.459 -16.177 1.00 11.42 C ATOM 569 C TRP A 63 -23.396 0.969 -14.890 1.00 12.56 C ATOM 570 O TRP A 63 -23.943 1.055 -13.797 1.00 11.84 O ATOM 571 CB TRP A 63 -25.343 2.218 -15.876 1.00 13.46 C ATOM 572 CG TRP A 63 -25.096 3.642 -15.425 1.00 16.82 C ATOM 573 CD1 TRP A 63 -24.320 4.050 -14.374 1.00 26.36 C ATOM 574 CD2 TRP A 63 -25.637 4.837 -16.008 1.00 14.79 C ATOM 575 NE1 TRP A 63 -24.342 5.425 -14.271 1.00 23.12 N ATOM 576 CE2 TRP A 63 -25.141 5.930 -15.262 1.00 22.78 C ATOM 577 CE3 TRP A 63 -26.488 5.090 -17.095 1.00 10.30 C ATOM 578 CZ2 TRP A 63 -25.470 7.255 -15.564 1.00 16.78 C ATOM 579 CZ3 TRP A 63 -26.809 6.405 -17.390 1.00 18.48 C ATOM 580 CH2 TRP A 63 -26.299 7.470 -16.628 1.00 18.38 C ATOM 581 HE1 TRP A 63 -23.835 5.987 -13.558 1.00 0.00 H ATOM 582 H TRP A 63 -25.215 -0.147 -17.061 1.00 0.00 H ATOM 583 N GLY A 64 -22.196 0.433 -15.061 1.00 11.56 N ATOM 584 CA GLY A 64 -21.325 0.083 -13.956 1.00 12.03 C ATOM 585 C GLY A 64 -20.159 1.054 -13.953 1.00 9.22 C ATOM 586 O GLY A 64 -19.601 1.370 -15.011 1.00 12.90 O ATOM 587 H GLY A 64 -21.864 0.256 -16.031 1.00 0.00 H ATOM 588 N ALA A 65 -19.798 1.522 -12.765 1.00 9.12 N ATOM 589 CA ALA A 65 -18.870 2.633 -12.634 1.00 12.91 C ATOM 590 C ALA A 65 -17.856 2.398 -11.523 1.00 11.04 C ATOM 591 O ALA A 65 -18.130 1.752 -10.508 1.00 10.64 O ATOM 592 CB ALA A 65 -19.614 3.944 -12.357 1.00 11.37 C ATOM 593 H ALA A 65 -20.189 1.083 -11.907 1.00 0.00 H ATOM 594 N LEU A 66 -16.678 2.962 -11.734 1.00 9.03 N ATOM 595 CA LEU A 66 -15.583 2.976 -10.770 1.00 9.05 C ATOM 596 C LEU A 66 -15.527 4.405 -10.257 1.00 9.05 C ATOM 597 O LEU A 66 -15.231 5.327 -11.026 1.00 9.19 O ATOM 598 CB LEU A 66 -14.275 2.570 -11.439 1.00 9.30 C ATOM 599 CG LEU A 66 -12.969 2.693 -10.668 1.00 12.70 C ATOM 600 CD1 LEU A 66 -12.948 1.678 -9.536 1.00 10.46 C ATOM 601 CD2 LEU A 66 -11.807 2.489 -11.615 1.00 15.82 C ATOM 602 H LEU A 66 -16.522 3.428 -12.651 1.00 0.00 H ATOM 603 N ALA A 67 -15.856 4.600 -8.981 1.00 8.96 N ATOM 604 CA ALA A 67 -16.050 5.949 -8.481 1.00 9.03 C ATOM 605 C ALA A 67 -15.773 6.028 -6.990 1.00 9.07 C ATOM 606 O ALA A 67 -16.058 5.094 -6.232 1.00 8.97 O ATOM 607 CB ALA A 67 -17.490 6.429 -8.733 1.00 8.95 C ATOM 608 H ALA A 67 -15.974 3.787 -8.344 1.00 0.00 H ATOM 609 N LEU A 68 -15.276 7.192 -6.566 1.00 9.29 N ATOM 610 CA LEU A 68 -15.344 7.546 -5.161 1.00 9.41 C ATOM 611 C LEU A 68 -16.795 7.870 -4.834 1.00 11.54 C ATOM 612 O LEU A 68 -17.426 8.658 -5.540 1.00 10.52 O ATOM 613 CB LEU A 68 -14.444 8.742 -4.864 1.00 15.69 C ATOM 614 CG LEU A 68 -14.440 9.227 -3.412 1.00 17.18 C ATOM 615 CD1 LEU A 68 -13.684 8.243 -2.505 1.00 14.73 C ATOM 616 CD2 LEU A 68 -13.840 10.616 -3.312 1.00 14.80 C ATOM 617 H LEU A 68 -14.839 7.847 -7.245 1.00 0.00 H ATOM 618 N VAL A 69 -17.343 7.219 -3.808 1.00 9.33 N ATOM 619 CA VAL A 69 -18.730 7.428 -3.406 1.00 9.38 C ATOM 620 C VAL A 69 -18.768 7.748 -1.920 1.00 9.65 C ATOM 621 O VAL A 69 -17.953 7.261 -1.132 1.00 10.72 O ATOM 622 CB VAL A 69 -19.616 6.205 -3.713 1.00 9.91 C ATOM 623 CG1 VAL A 69 -19.578 5.899 -5.196 1.00 10.51 C ATOM 624 CG2 VAL A 69 -19.143 5.005 -2.909 1.00 9.10 C ATOM 625 H VAL A 69 -16.763 6.539 -3.276 1.00 0.00 H ATOM 626 N GLY A 70 -19.730 8.568 -1.532 1.00 9.90 N ATOM 627 CA GLY A 70 -19.863 8.860 -0.120 1.00 10.26 C ATOM 628 C GLY A 70 -21.103 9.679 0.134 1.00 10.58 C ATOM 629 O GLY A 70 -21.840 10.037 -0.789 1.00 10.51 O ATOM 630 H GLY A 70 -20.377 8.994 -2.226 1.00 0.00 H ATOM 631 N TRP A 71 -21.311 9.978 1.412 1.00 11.00 N ATOM 632 CA TRP A 71 -22.467 10.741 1.844 1.00 11.46 C ATOM 633 C TRP A 71 -22.064 11.734 2.922 1.00 12.84 C ATOM 634 O TRP A 71 -21.101 11.520 3.659 1.00 12.75 O ATOM 635 CB TRP A 71 -23.555 9.865 2.446 1.00 16.47 C ATOM 636 CG TRP A 71 -24.135 8.829 1.570 1.00 14.12 C ATOM 637 CD1 TRP A 71 -23.598 7.610 1.266 1.00 13.35 C ATOM 638 CD2 TRP A 71 -25.406 8.886 0.918 1.00 13.65 C ATOM 639 NE1 TRP A 71 -24.457 6.911 0.448 1.00 13.32 N ATOM 640 CE2 TRP A 71 -25.576 7.675 0.221 1.00 13.77 C ATOM 641 CE3 TRP A 71 -26.421 9.846 0.854 1.00 12.37 C ATOM 642 CZ2 TRP A 71 -26.718 7.403 -0.536 1.00 11.62 C ATOM 643 CZ3 TRP A 71 -27.551 9.569 0.100 1.00 12.90 C ATOM 644 CH2 TRP A 71 -27.692 8.356 -0.575 1.00 11.32 C ATOM 645 HE1 TRP A 71 -24.287 5.959 0.064 1.00 0.00 H ATOM 646 H TRP A 71 -20.625 9.655 2.124 1.00 0.00 H ATOM 647 N THR A 72 -22.844 12.800 3.023 1.00 12.49 N ATOM 648 CA THR A 72 -22.941 13.582 4.241 1.00 13.20 C ATOM 649 C THR A 72 -24.386 13.570 4.710 1.00 13.63 C ATOM 650 O THR A 72 -25.302 13.260 3.944 1.00 15.89 O ATOM 651 CB THR A 72 -22.484 15.035 4.044 1.00 14.77 C ATOM 652 OG1 THR A 72 -23.356 15.694 3.114 1.00 13.69 O ATOM 653 CG2 THR A 72 -21.056 15.085 3.527 1.00 14.63 C ATOM 654 HG1 THR A 72 -24.281 15.685 3.467 1.00 0.00 H ATOM 655 H THR A 72 -23.408 13.087 2.198 1.00 0.00 H ATOM 656 N ARG A 73 -24.569 13.899 5.986 1.00 14.65 N ATOM 657 CA ARG A 73 -25.855 14.279 6.547 1.00 14.99 C ATOM 658 C ARG A 73 -25.808 15.753 6.936 1.00 15.72 C ATOM 659 O ARG A 73 -24.736 16.366 7.017 1.00 19.15 O ATOM 660 CB ARG A 73 -26.210 13.421 7.770 1.00 16.68 C ATOM 661 CG ARG A 73 -26.368 11.923 7.463 1.00 21.03 C ATOM 662 CD ARG A 73 -26.750 11.141 8.709 1.00 28.31 C ATOM 663 NE ARG A 73 -27.260 9.803 8.403 1.00 21.46 N ATOM 664 CZ ARG A 73 -26.537 8.686 8.430 1.00 18.10 C ATOM 665 NH1 ARG A 73 -25.252 8.721 8.745 1.00 19.86 N ATOM 666 NH2 ARG A 73 -27.106 7.524 8.133 1.00 18.49 N ATOM 667 HE ARG A 73 -28.264 9.719 8.145 1.00 0.00 H ATOM 668 HH12 ARG A 73 -24.697 7.842 8.763 1.00 0.00 H ATOM 669 HH11 ARG A 73 -24.797 9.628 8.975 1.00 0.00 H ATOM 670 HH22 ARG A 73 -26.544 6.649 8.153 1.00 0.00 H ATOM 671 HH21 ARG A 73 -28.114 7.488 7.880 1.00 0.00 H ATOM 672 H ARG A 73 -23.744 13.883 6.619 1.00 0.00 H ATOM 673 N SER A 74 -26.993 16.326 7.162 1.00 18.17 N ATOM 674 CA SER A 74 -27.129 17.723 7.570 1.00 21.21 C ATOM 675 C SER A 74 -26.488 18.666 6.555 1.00 21.64 C ATOM 676 O SER A 74 -25.540 19.388 6.889 1.00 23.04 O ATOM 677 CB SER A 74 -26.509 17.937 8.952 1.00 23.88 C ATOM 678 OG SER A 74 -27.122 17.105 9.917 1.00 23.13 O ATOM 679 HG SER A 74 -26.704 17.262 10.800 1.00 0.00 H ATOM 680 H SER A 74 -27.854 15.755 7.043 1.00 0.00 H ATOM 681 N PRO A 75 -26.972 18.697 5.306 1.00 22.17 N ATOM 682 CA PRO A 75 -28.066 17.877 4.784 1.00 20.43 C ATOM 683 C PRO A 75 -27.609 16.556 4.164 1.00 19.66 C ATOM 684 O PRO A 75 -26.410 16.321 3.973 1.00 20.10 O ATOM 685 CB PRO A 75 -28.695 18.783 3.719 1.00 21.96 C ATOM 686 CG PRO A 75 -27.626 19.795 3.350 1.00 30.32 C ATOM 687 CD PRO A 75 -26.469 19.634 4.284 1.00 21.97 C ATOM 688 N LEU A 76 -28.584 15.711 3.845 1.00 23.49 N ATOM 689 CA LEU A 76 -28.324 14.412 3.233 1.00 19.85 C ATOM 690 C LEU A 76 -27.927 14.599 1.774 1.00 15.80 C ATOM 691 O LEU A 76 -28.740 15.016 0.938 1.00 15.55 O ATOM 692 CB LEU A 76 -29.558 13.528 3.355 1.00 15.95 C ATOM 693 CG LEU A 76 -29.388 12.084 2.889 1.00 14.21 C ATOM 694 CD1 LEU A 76 -28.407 11.310 3.776 1.00 16.71 C ATOM 695 CD2 LEU A 76 -30.743 11.403 2.867 1.00 19.11 C ATOM 696 H LEU A 76 -29.568 15.986 4.039 1.00 0.00 H ATOM 697 N ILE A 77 -26.673 14.288 1.463 1.00 13.09 N ATOM 698 CA ILE A 77 -26.122 14.477 0.127 1.00 12.56 C ATOM 699 C ILE A 77 -25.249 13.271 -0.191 1.00 12.48 C ATOM 700 O ILE A 77 -24.401 12.884 0.620 1.00 14.55 O ATOM 701 CB ILE A 77 -25.309 15.782 0.021 1.00 12.77 C ATOM 702 CG1 ILE A 77 -26.193 16.983 0.390 1.00 13.46 C ATOM 703 CG2 ILE A 77 -24.727 15.940 -1.390 1.00 12.72 C ATOM 704 CD1 ILE A 77 -25.453 18.299 0.498 1.00 20.14 C ATOM 705 H ILE A 77 -26.059 13.893 2.204 1.00 0.00 H ATOM 706 N ALA A 78 -25.472 12.672 -1.356 1.00 11.49 N ATOM 707 CA ALA A 78 -24.578 11.661 -1.908 1.00 10.95 C ATOM 708 C ALA A 78 -23.660 12.314 -2.928 1.00 10.73 C ATOM 709 O ALA A 78 -24.100 13.163 -3.709 1.00 13.21 O ATOM 710 CB ALA A 78 -25.360 10.536 -2.587 1.00 10.69 C ATOM 711 H ALA A 78 -26.320 12.935 -1.897 1.00 0.00 H ATOM 712 N TYR A 79 -22.391 11.913 -2.939 1.00 10.50 N ATOM 713 CA TYR A 79 -21.463 12.458 -3.914 1.00 10.36 C ATOM 714 C TYR A 79 -20.704 11.345 -4.614 1.00 11.96 C ATOM 715 O TYR A 79 -20.548 10.240 -4.090 1.00 11.10 O ATOM 716 CB TYR A 79 -20.488 13.445 -3.276 1.00 11.98 C ATOM 717 CG TYR A 79 -19.604 12.859 -2.209 1.00 11.83 C ATOM 718 CD1 TYR A 79 -18.476 12.128 -2.549 1.00 10.87 C ATOM 719 CD2 TYR A 79 -19.892 13.041 -0.867 1.00 11.73 C ATOM 720 CE1 TYR A 79 -17.659 11.599 -1.578 1.00 10.60 C ATOM 721 CE2 TYR A 79 -19.082 12.524 0.106 1.00 13.85 C ATOM 722 CZ TYR A 79 -17.966 11.799 -0.259 1.00 11.42 C ATOM 723 OH TYR A 79 -17.148 11.269 0.710 1.00 11.04 O ATOM 724 HH TYR A 79 -17.669 10.643 1.274 1.00 0.00 H ATOM 725 H TYR A 79 -22.063 11.208 -2.248 1.00 0.00 H ATOM 726 N TYR A 80 -20.228 11.687 -5.814 1.00 11.40 N ATOM 727 CA TYR A 80 -19.590 10.771 -6.749 1.00 9.55 C ATOM 728 C TYR A 80 -18.414 11.456 -7.435 1.00 12.20 C ATOM 729 O TYR A 80 -18.564 12.562 -7.961 1.00 10.61 O ATOM 730 CB TYR A 80 -20.588 10.314 -7.818 1.00 9.36 C ATOM 731 CG TYR A 80 -21.778 9.598 -7.247 1.00 9.72 C ATOM 732 CD1 TYR A 80 -22.908 10.288 -6.835 1.00 12.59 C ATOM 733 CD2 TYR A 80 -21.749 8.232 -7.084 1.00 12.80 C ATOM 734 CE1 TYR A 80 -23.988 9.612 -6.273 1.00 12.77 C ATOM 735 CE2 TYR A 80 -22.797 7.565 -6.532 1.00 13.95 C ATOM 736 CZ TYR A 80 -23.917 8.251 -6.134 1.00 14.36 C ATOM 737 OH TYR A 80 -24.965 7.545 -5.600 1.00 21.82 O ATOM 738 HH TYR A 80 -25.695 8.170 -5.362 1.00 0.00 H ATOM 739 H TYR A 80 -20.320 12.682 -6.102 1.00 0.00 H ATOM 740 N VAL A 81 -17.261 10.798 -7.465 1.00 9.60 N ATOM 741 CA VAL A 81 -16.173 11.170 -8.369 1.00 10.83 C ATOM 742 C VAL A 81 -15.947 9.953 -9.255 1.00 10.48 C ATOM 743 O VAL A 81 -15.312 8.974 -8.836 1.00 9.47 O ATOM 744 CB VAL A 81 -14.883 11.581 -7.642 1.00 10.03 C ATOM 745 CG1 VAL A 81 -13.781 11.915 -8.671 1.00 10.47 C ATOM 746 CG2 VAL A 81 -15.144 12.766 -6.720 1.00 10.33 C ATOM 747 H VAL A 81 -17.127 9.990 -6.824 1.00 0.00 H ATOM 748 N VAL A 82 -16.461 10.022 -10.479 1.00 9.44 N ATOM 749 CA VAL A 82 -16.480 8.889 -11.398 1.00 9.31 C ATOM 750 C VAL A 82 -15.241 8.932 -12.292 1.00 10.80 C ATOM 751 O VAL A 82 -15.040 9.884 -13.057 1.00 10.64 O ATOM 752 CB VAL A 82 -17.759 8.891 -12.249 1.00 9.20 C ATOM 753 CG1 VAL A 82 -17.777 7.647 -13.190 1.00 10.61 C ATOM 754 CG2 VAL A 82 -19.013 8.963 -11.362 1.00 9.54 C ATOM 755 H VAL A 82 -16.868 10.925 -10.796 1.00 0.00 H ATOM 756 N ASP A 83 -14.418 7.882 -12.220 1.00 9.58 N ATOM 757 CA ASP A 83 -13.220 7.800 -13.048 1.00 11.46 C ATOM 758 C ASP A 83 -13.395 6.930 -14.288 1.00 11.38 C ATOM 759 O ASP A 83 -12.770 7.207 -15.310 1.00 10.25 O ATOM 760 CB ASP A 83 -12.038 7.271 -12.220 1.00 10.20 C ATOM 761 CG ASP A 83 -11.239 8.383 -11.546 1.00 10.33 C ATOM 762 OD1 ASP A 83 -11.451 9.569 -11.862 1.00 11.59 O ATOM 763 OD2 ASP A 83 -10.361 8.066 -10.722 1.00 10.48 O ATOM 764 H ASP A 83 -14.636 7.108 -11.561 1.00 0.00 H ATOM 765 N SER A 84 -14.222 5.893 -14.239 1.00 9.72 N ATOM 766 CA SER A 84 -14.462 5.064 -15.411 1.00 9.84 C ATOM 767 C SER A 84 -15.831 4.416 -15.290 1.00 9.59 C ATOM 768 O SER A 84 -16.471 4.473 -14.241 1.00 11.19 O ATOM 769 CB SER A 84 -13.362 4.005 -15.574 1.00 10.15 C ATOM 770 OG SER A 84 -13.527 3.285 -16.785 1.00 12.15 O ATOM 771 HG SER A 84 -12.808 2.610 -16.867 1.00 0.00 H ATOM 772 H SER A 84 -14.707 5.669 -13.347 1.00 0.00 H ATOM 773 N TRP A 85 -16.288 3.817 -16.392 1.00 10.21 N ATOM 774 CA TRP A 85 -17.626 3.242 -16.448 1.00 9.61 C ATOM 775 C TRP A 85 -17.731 2.387 -17.704 1.00 9.92 C ATOM 776 O TRP A 85 -16.826 2.369 -18.541 1.00 12.65 O ATOM 777 CB TRP A 85 -18.689 4.349 -16.432 1.00 9.45 C ATOM 778 CG TRP A 85 -18.586 5.244 -17.644 1.00 9.63 C ATOM 779 CD1 TRP A 85 -19.187 5.057 -18.864 1.00 13.85 C ATOM 780 CD2 TRP A 85 -17.798 6.433 -17.767 1.00 13.39 C ATOM 781 NE1 TRP A 85 -18.830 6.069 -19.729 1.00 15.10 N ATOM 782 CE2 TRP A 85 -17.982 6.927 -19.079 1.00 12.65 C ATOM 783 CE3 TRP A 85 -16.962 7.137 -16.895 1.00 19.24 C ATOM 784 CZ2 TRP A 85 -17.359 8.089 -19.530 1.00 12.72 C ATOM 785 CZ3 TRP A 85 -16.347 8.288 -17.347 1.00 25.20 C ATOM 786 CH2 TRP A 85 -16.546 8.751 -18.651 1.00 20.81 C ATOM 787 HE1 TRP A 85 -19.151 6.166 -20.713 1.00 0.00 H ATOM 788 H TRP A 85 -15.675 3.759 -17.230 1.00 0.00 H ATOM 789 N GLY A 86 -18.847 1.673 -17.831 1.00 9.93 N ATOM 790 CA GLY A 86 -19.076 0.891 -19.034 1.00 12.67 C ATOM 791 C GLY A 86 -19.754 1.691 -20.128 1.00 11.29 C ATOM 792 O GLY A 86 -19.110 2.207 -21.048 1.00 11.98 O ATOM 793 H GLY A 86 -19.555 1.675 -17.069 1.00 0.00 H ATOM 794 N THR A 87 -21.072 1.797 -20.026 1.00 10.50 N ATOM 795 CA THR A 87 -21.862 2.690 -20.855 1.00 11.77 C ATOM 796 C THR A 87 -22.772 3.495 -19.940 1.00 14.33 C ATOM 797 O THR A 87 -23.530 2.921 -19.152 1.00 13.77 O ATOM 798 CB THR A 87 -22.671 1.901 -21.887 1.00 13.52 C ATOM 799 OG1 THR A 87 -21.774 1.160 -22.732 1.00 18.13 O ATOM 800 CG2 THR A 87 -23.482 2.832 -22.743 1.00 15.82 C ATOM 801 HG1 THR A 87 -22.297 0.650 -23.400 1.00 0.00 H ATOM 802 H THR A 87 -21.563 1.213 -19.319 1.00 0.00 H ATOM 803 N ALA A 88 -22.705 4.822 -20.048 1.00 10.24 N ATOM 804 CA ALA A 88 -23.382 5.698 -19.093 1.00 12.60 C ATOM 805 C ALA A 88 -23.555 7.087 -19.709 1.00 14.35 C ATOM 806 O ALA A 88 -22.585 7.841 -19.819 1.00 21.16 O ATOM 807 CB ALA A 88 -22.597 5.782 -17.796 1.00 17.28 C ATOM 808 H ALA A 88 -22.160 5.243 -20.827 1.00 0.00 H ATOM 809 N ARG A 89 -24.790 7.429 -20.061 1.00 12.17 N ATOM 810 CA ARG A 89 -25.126 8.691 -20.723 1.00 14.02 C ATOM 811 C ARG A 89 -25.449 9.744 -19.666 1.00 12.76 C ATOM 812 O ARG A 89 -26.600 9.934 -19.270 1.00 14.20 O ATOM 813 CB ARG A 89 -26.287 8.466 -21.686 1.00 13.55 C ATOM 814 CG ARG A 89 -26.607 9.641 -22.586 1.00 12.41 C ATOM 815 CD ARG A 89 -27.649 9.268 -23.631 1.00 12.69 C ATOM 816 NE ARG A 89 -27.158 8.247 -24.552 1.00 12.39 N ATOM 817 CZ ARG A 89 -26.580 8.488 -25.724 1.00 15.14 C ATOM 818 NH1 ARG A 89 -26.406 9.729 -26.156 1.00 16.10 N ATOM 819 NH2 ARG A 89 -26.159 7.475 -26.468 1.00 17.30 N ATOM 820 HE ARG A 89 -27.269 7.253 -24.268 1.00 0.00 H ATOM 821 HH12 ARG A 89 -25.952 9.901 -27.076 1.00 0.00 H ATOM 822 HH11 ARG A 89 -26.724 10.531 -25.575 1.00 0.00 H ATOM 823 HH22 ARG A 89 -25.706 7.657 -27.386 1.00 0.00 H ATOM 824 HH21 ARG A 89 -26.282 6.498 -26.134 1.00 0.00 H ATOM 825 H ARG A 89 -25.561 6.763 -19.855 1.00 0.00 H ATOM 826 N TRP A 90 -24.415 10.462 -19.230 1.00 13.04 N ATOM 827 CA TRP A 90 -24.554 11.433 -18.154 1.00 9.48 C ATOM 828 C TRP A 90 -25.384 12.635 -18.602 1.00 9.59 C ATOM 829 O TRP A 90 -25.221 13.142 -19.709 1.00 12.57 O ATOM 830 CB TRP A 90 -23.164 11.886 -17.693 1.00 11.46 C ATOM 831 CG TRP A 90 -22.203 10.738 -17.480 1.00 12.69 C ATOM 832 CD1 TRP A 90 -21.257 10.301 -18.347 1.00 14.17 C ATOM 833 CD2 TRP A 90 -22.122 9.879 -16.333 1.00 10.63 C ATOM 834 NE1 TRP A 90 -20.582 9.233 -17.820 1.00 12.90 N ATOM 835 CE2 TRP A 90 -21.089 8.955 -16.580 1.00 13.01 C ATOM 836 CE3 TRP A 90 -22.817 9.807 -15.123 1.00 13.97 C ATOM 837 CZ2 TRP A 90 -20.742 7.957 -15.674 1.00 12.52 C ATOM 838 CZ3 TRP A 90 -22.460 8.830 -14.216 1.00 12.49 C ATOM 839 CH2 TRP A 90 -21.427 7.912 -14.497 1.00 12.06 C ATOM 840 HE1 TRP A 90 -19.809 8.717 -18.287 1.00 0.00 H ATOM 841 H TRP A 90 -23.483 10.325 -19.670 1.00 0.00 H ATOM 842 N THR A 91 -26.300 13.079 -17.740 1.00 9.63 N ATOM 843 CA THR A 91 -27.185 14.182 -18.102 1.00 9.79 C ATOM 844 C THR A 91 -27.791 14.775 -16.842 1.00 9.90 C ATOM 845 O THR A 91 -28.035 14.066 -15.864 1.00 11.16 O ATOM 846 CB THR A 91 -28.278 13.717 -19.088 1.00 9.93 C ATOM 847 OG1 THR A 91 -29.147 14.812 -19.434 1.00 10.54 O ATOM 848 CG2 THR A 91 -29.098 12.564 -18.519 1.00 10.00 C ATOM 849 HG1 THR A 91 -29.840 14.495 -20.066 1.00 0.00 H ATOM 850 H THR A 91 -26.384 12.636 -16.803 1.00 0.00 H ATOM 851 N GLY A 92 -28.030 16.082 -16.881 1.00 11.02 N ATOM 852 CA GLY A 92 -28.660 16.782 -15.782 1.00 10.28 C ATOM 853 C GLY A 92 -28.101 18.185 -15.632 1.00 10.41 C ATOM 854 O GLY A 92 -27.383 18.693 -16.493 1.00 10.35 O ATOM 855 H GLY A 92 -27.755 16.619 -17.728 1.00 0.00 H ATOM 856 N THR A 93 -28.435 18.795 -14.494 1.00 10.95 N ATOM 857 CA THR A 93 -27.870 20.093 -14.151 1.00 10.90 C ATOM 858 C THR A 93 -26.350 20.004 -14.189 1.00 11.63 C ATOM 859 O THR A 93 -25.758 19.069 -13.648 1.00 12.04 O ATOM 860 CB THR A 93 -28.373 20.529 -12.778 1.00 11.27 C ATOM 861 OG1 THR A 93 -29.805 20.684 -12.832 1.00 12.16 O ATOM 862 CG2 THR A 93 -27.752 21.857 -12.341 1.00 11.59 C ATOM 863 HG1 THR A 93 -30.220 19.821 -13.082 1.00 0.00 H ATOM 864 H THR A 93 -29.107 18.339 -13.844 1.00 0.00 H ATOM 865 N TYR A 94 -25.726 20.980 -14.858 1.00 10.81 N ATOM 866 CA TYR A 94 -24.304 20.954 -15.194 1.00 10.72 C ATOM 867 C TYR A 94 -23.697 22.294 -14.815 1.00 11.31 C ATOM 868 O TYR A 94 -24.194 23.340 -15.242 1.00 12.85 O ATOM 869 CB TYR A 94 -24.084 20.676 -16.694 1.00 11.05 C ATOM 870 CG TYR A 94 -22.697 21.013 -17.175 1.00 10.62 C ATOM 871 CD1 TYR A 94 -21.610 20.220 -16.837 1.00 10.76 C ATOM 872 CD2 TYR A 94 -22.467 22.132 -17.957 1.00 10.84 C ATOM 873 CE1 TYR A 94 -20.332 20.542 -17.274 1.00 10.71 C ATOM 874 CE2 TYR A 94 -21.194 22.464 -18.390 1.00 11.02 C ATOM 875 CZ TYR A 94 -20.130 21.665 -18.045 1.00 10.97 C ATOM 876 OH TYR A 94 -18.858 21.974 -18.476 1.00 11.66 O ATOM 877 HH TYR A 94 -18.603 22.868 -18.135 1.00 0.00 H ATOM 878 H TYR A 94 -26.285 21.805 -15.156 1.00 0.00 H ATOM 879 N LYS A 95 -22.618 22.260 -14.025 1.00 11.21 N ATOM 880 CA LYS A 95 -22.137 23.447 -13.342 1.00 11.67 C ATOM 881 C LYS A 95 -20.754 23.905 -13.768 1.00 14.83 C ATOM 882 O LYS A 95 -20.375 25.037 -13.440 1.00 14.25 O ATOM 883 CB LYS A 95 -22.157 23.212 -11.822 1.00 12.82 C ATOM 884 CG LYS A 95 -23.562 23.115 -11.242 1.00 17.08 C ATOM 885 CD LYS A 95 -24.124 24.466 -10.779 1.00 32.12 C ATOM 886 CE LYS A 95 -24.364 25.443 -11.917 1.00 50.53 C ATOM 887 NZ LYS A 95 -25.254 26.562 -11.501 1.00 37.07 N ATOM 888 HZ1 LYS A 95 -26.172 26.179 -11.198 1.00 0.00 H ATOM 889 HZ2 LYS A 95 -24.815 27.078 -10.712 1.00 0.00 H ATOM 890 HZ3 LYS A 95 -25.395 27.208 -12.304 1.00 0.00 H ATOM 891 H LYS A 95 -22.111 21.361 -13.897 1.00 0.00 H ATOM 892 N GLY A 96 -20.017 23.107 -14.523 1.00 15.22 N ATOM 893 CA GLY A 96 -18.694 23.492 -14.960 1.00 15.53 C ATOM 894 C GLY A 96 -17.779 22.289 -14.940 1.00 13.19 C ATOM 895 O GLY A 96 -18.240 21.153 -15.002 1.00 11.95 O ATOM 896 H GLY A 96 -20.398 22.182 -14.808 1.00 0.00 H ATOM 897 N THR A 97 -16.475 22.551 -14.843 1.00 12.00 N ATOM 898 CA THR A 97 -15.488 21.481 -14.836 1.00 13.20 C ATOM 899 C THR A 97 -14.456 21.738 -13.747 1.00 12.89 C ATOM 900 O THR A 97 -14.284 22.862 -13.265 1.00 16.09 O ATOM 901 CB THR A 97 -14.781 21.341 -16.203 1.00 12.86 C ATOM 902 OG1 THR A 97 -14.040 22.528 -16.481 1.00 14.11 O ATOM 903 CG2 THR A 97 -15.791 21.104 -17.329 1.00 16.25 C ATOM 904 HG1 THR A 97 -13.363 22.667 -15.772 1.00 0.00 H ATOM 905 H THR A 97 -16.157 23.539 -14.771 1.00 0.00 H ATOM 906 N VAL A 98 -13.745 20.675 -13.389 1.00 14.47 N ATOM 907 CA VAL A 98 -12.623 20.746 -12.459 1.00 13.64 C ATOM 908 C VAL A 98 -11.510 19.845 -12.972 1.00 12.67 C ATOM 909 O VAL A 98 -11.762 18.739 -13.465 1.00 13.23 O ATOM 910 CB VAL A 98 -13.040 20.348 -11.027 1.00 13.80 C ATOM 911 CG1 VAL A 98 -13.624 18.964 -11.022 1.00 11.90 C ATOM 912 CG2 VAL A 98 -11.838 20.428 -10.062 1.00 18.42 C ATOM 913 H VAL A 98 -14.000 19.750 -13.790 1.00 0.00 H ATOM 914 N LYS A 99 -10.278 20.336 -12.884 1.00 13.27 N ATOM 915 CA LYS A 99 -9.093 19.569 -13.230 1.00 13.48 C ATOM 916 C LYS A 99 -8.513 18.969 -11.962 1.00 13.56 C ATOM 917 O LYS A 99 -8.293 19.683 -10.976 1.00 16.25 O ATOM 918 CB LYS A 99 -8.054 20.454 -13.927 1.00 14.19 C ATOM 919 CG LYS A 99 -8.472 20.879 -15.328 1.00 28.29 C ATOM 920 H LYS A 99 -10.156 21.314 -12.552 1.00 0.00 H ATOM 921 N SER A 100 -8.290 17.659 -11.977 1.00 15.77 N ATOM 922 CA SER A 100 -7.724 16.996 -10.814 1.00 14.14 C ATOM 923 C SER A 100 -7.090 15.687 -11.250 1.00 15.58 C ATOM 924 O SER A 100 -7.659 14.942 -12.050 1.00 13.02 O ATOM 925 CB SER A 100 -8.782 16.746 -9.732 1.00 13.25 C ATOM 926 OG SER A 100 -8.181 16.356 -8.505 1.00 14.29 O ATOM 927 HG SER A 100 -7.666 15.522 -8.642 1.00 0.00 H ATOM 928 H SER A 100 -8.522 17.105 -12.826 1.00 0.00 H ATOM 929 N ASP A 101 -5.897 15.436 -10.728 1.00 13.66 N ATOM 930 CA ASP A 101 -5.256 14.133 -10.848 1.00 16.30 C ATOM 931 C ASP A 101 -5.107 13.712 -12.309 1.00 16.94 C ATOM 932 O ASP A 101 -5.340 12.558 -12.674 1.00 17.17 O ATOM 933 CB ASP A 101 -6.033 13.098 -10.042 1.00 14.77 C ATOM 934 CG ASP A 101 -6.221 13.520 -8.596 1.00 15.40 C ATOM 935 OD1 ASP A 101 -5.212 13.529 -7.866 1.00 17.01 O ATOM 936 OD2 ASP A 101 -7.363 13.822 -8.182 1.00 14.70 O ATOM 937 H ASP A 101 -5.403 16.194 -10.216 1.00 0.00 H ATOM 938 N GLY A 102 -4.698 14.668 -13.150 1.00 19.89 N ATOM 939 CA GLY A 102 -4.408 14.405 -14.539 1.00 22.53 C ATOM 940 C GLY A 102 -5.619 14.328 -15.442 1.00 20.74 C ATOM 941 O GLY A 102 -5.453 14.061 -16.639 1.00 19.83 O ATOM 942 H GLY A 102 -4.585 15.637 -12.790 1.00 0.00 H ATOM 943 N GLY A 103 -6.829 14.553 -14.908 1.00 17.37 N ATOM 944 CA GLY A 103 -8.036 14.508 -15.701 1.00 19.03 C ATOM 945 C GLY A 103 -8.879 15.761 -15.523 1.00 18.22 C ATOM 946 O GLY A 103 -8.633 16.585 -14.644 1.00 16.54 O ATOM 947 H GLY A 103 -6.900 14.766 -13.893 1.00 0.00 H ATOM 948 N THR A 104 -9.874 15.895 -16.399 1.00 12.46 N ATOM 949 CA THR A 104 -10.877 16.945 -16.305 1.00 14.86 C ATOM 950 C THR A 104 -12.229 16.302 -16.070 1.00 10.34 C ATOM 951 O THR A 104 -12.562 15.296 -16.705 1.00 12.26 O ATOM 952 CB THR A 104 -10.917 17.795 -17.581 1.00 11.82 C ATOM 953 OG1 THR A 104 -9.611 18.314 -17.836 1.00 16.32 O ATOM 954 CG2 THR A 104 -11.912 18.943 -17.447 1.00 13.98 C ATOM 955 HG1 THR A 104 -8.976 17.564 -17.954 1.00 0.00 H ATOM 956 H THR A 104 -9.937 15.218 -17.186 1.00 0.00 H ATOM 957 N TYR A 105 -13.010 16.878 -15.162 1.00 10.26 N ATOM 958 CA TYR A 105 -14.287 16.292 -14.786 1.00 9.80 C ATOM 959 C TYR A 105 -15.425 17.272 -15.004 1.00 10.13 C ATOM 960 O TYR A 105 -15.323 18.447 -14.653 1.00 9.94 O ATOM 961 CB TYR A 105 -14.313 15.853 -13.324 1.00 10.09 C ATOM 962 CG TYR A 105 -13.278 14.839 -12.923 1.00 10.57 C ATOM 963 CD1 TYR A 105 -11.938 15.196 -12.754 1.00 11.20 C ATOM 964 CD2 TYR A 105 -13.642 13.530 -12.652 1.00 10.66 C ATOM 965 CE1 TYR A 105 -10.994 14.265 -12.361 1.00 11.83 C ATOM 966 CE2 TYR A 105 -12.703 12.589 -12.257 1.00 11.35 C ATOM 967 CZ TYR A 105 -11.382 12.968 -12.103 1.00 13.51 C ATOM 968 OH TYR A 105 -10.436 12.044 -11.707 1.00 12.77 O ATOM 969 HH TYR A 105 -10.397 11.309 -12.369 1.00 0.00 H ATOM 970 H TYR A 105 -12.703 17.764 -14.712 1.00 0.00 H ATOM 971 N ASP A 106 -16.512 16.751 -15.566 1.00 9.20 N ATOM 972 CA ASP A 106 -17.768 17.466 -15.671 1.00 9.09 C ATOM 973 C ASP A 106 -18.525 17.409 -14.349 1.00 11.90 C ATOM 974 O ASP A 106 -18.624 16.349 -13.724 1.00 11.20 O ATOM 975 CB ASP A 106 -18.612 16.842 -16.783 1.00 9.83 C ATOM 976 CG ASP A 106 -18.036 17.095 -18.168 1.00 9.37 C ATOM 977 OD1 ASP A 106 -17.489 18.190 -18.426 1.00 11.60 O ATOM 978 OD2 ASP A 106 -18.136 16.196 -19.022 1.00 11.86 O ATOM 979 H ASP A 106 -16.458 15.785 -15.948 1.00 0.00 H ATOM 980 N ILE A 107 -19.086 18.545 -13.939 1.00 9.28 N ATOM 981 CA ILE A 107 -19.746 18.672 -12.644 1.00 9.43 C ATOM 982 C ILE A 107 -21.253 18.686 -12.860 1.00 9.28 C ATOM 983 O ILE A 107 -21.780 19.524 -13.601 1.00 11.33 O ATOM 984 CB ILE A 107 -19.282 19.933 -11.898 1.00 11.87 C ATOM 985 CG1 ILE A 107 -17.788 19.852 -11.604 1.00 10.43 C ATOM 986 CG2 ILE A 107 -20.046 20.091 -10.581 1.00 10.37 C ATOM 987 CD1 ILE A 107 -17.175 21.168 -11.094 1.00 11.36 C ATOM 988 H ILE A 107 -19.052 19.374 -14.566 1.00 0.00 H ATOM 989 N TYR A 108 -21.951 17.776 -12.192 1.00 9.22 N ATOM 990 CA TYR A 108 -23.402 17.715 -12.264 1.00 9.25 C ATOM 991 C TYR A 108 -24.011 17.690 -10.873 1.00 9.59 C ATOM 992 O TYR A 108 -23.354 17.364 -9.890 1.00 9.77 O ATOM 993 CB TYR A 108 -23.889 16.462 -12.991 1.00 9.16 C ATOM 994 CG TYR A 108 -23.349 16.247 -14.374 1.00 9.03 C ATOM 995 CD1 TYR A 108 -23.896 16.897 -15.463 1.00 9.15 C ATOM 996 CD2 TYR A 108 -22.320 15.357 -14.592 1.00 8.96 C ATOM 997 CE1 TYR A 108 -23.412 16.685 -16.740 1.00 10.64 C ATOM 998 CE2 TYR A 108 -21.831 15.131 -15.856 1.00 10.70 C ATOM 999 CZ TYR A 108 -22.374 15.797 -16.929 1.00 9.09 C ATOM 1000 OH TYR A 108 -21.886 15.561 -18.196 1.00 9.27 O ATOM 1001 HH TYR A 108 -20.924 15.794 -18.227 1.00 0.00 H ATOM 1002 H TYR A 108 -21.445 17.087 -11.600 1.00 0.00 H ATOM 1003 N THR A 109 -25.291 18.047 -10.808 1.00 12.43 N ATOM 1004 CA THR A 109 -26.106 17.820 -9.626 1.00 13.15 C ATOM 1005 C THR A 109 -27.396 17.148 -10.059 1.00 14.61 C ATOM 1006 O THR A 109 -27.929 17.446 -11.132 1.00 13.02 O ATOM 1007 CB THR A 109 -26.441 19.118 -8.873 1.00 17.58 C ATOM 1008 OG1 THR A 109 -27.140 20.020 -9.740 1.00 17.92 O ATOM 1009 CG2 THR A 109 -25.190 19.769 -8.350 1.00 10.75 C ATOM 1010 HG1 THR A 109 -27.979 19.595 -10.049 1.00 0.00 H ATOM 1011 H THR A 109 -25.725 18.506 -11.634 1.00 0.00 H ATOM 1012 N THR A 110 -27.882 16.233 -9.228 1.00 14.19 N ATOM 1013 CA THR A 110 -29.165 15.586 -9.453 1.00 14.68 C ATOM 1014 C THR A 110 -29.904 15.463 -8.129 1.00 16.30 C ATOM 1015 O THR A 110 -29.325 15.596 -7.051 1.00 15.49 O ATOM 1016 CB THR A 110 -29.013 14.192 -10.090 1.00 17.86 C ATOM 1017 OG1 THR A 110 -28.158 13.384 -9.276 1.00 18.29 O ATOM 1018 CG2 THR A 110 -28.433 14.301 -11.489 1.00 18.96 C ATOM 1019 HG1 THR A 110 -28.554 13.293 -8.373 1.00 0.00 H ATOM 1020 H THR A 110 -27.327 15.970 -8.389 1.00 0.00 H ATOM 1021 N THR A 111 -31.205 15.226 -8.222 1.00 15.54 N ATOM 1022 CA THR A 111 -32.051 15.078 -7.050 1.00 15.73 C ATOM 1023 C THR A 111 -32.762 13.734 -7.114 1.00 16.95 C ATOM 1024 O THR A 111 -33.135 13.271 -8.193 1.00 19.89 O ATOM 1025 CB THR A 111 -33.065 16.214 -6.963 1.00 16.23 C ATOM 1026 OG1 THR A 111 -32.382 17.476 -6.954 1.00 23.39 O ATOM 1027 CG2 THR A 111 -33.909 16.083 -5.701 1.00 27.21 C ATOM 1028 HG1 THR A 111 -31.855 17.570 -7.786 1.00 0.00 H ATOM 1029 H THR A 111 -31.635 15.143 -9.166 1.00 0.00 H ATOM 1030 N ARG A 112 -32.936 13.105 -5.955 1.00 14.55 N ATOM 1031 CA ARG A 112 -33.665 11.849 -5.859 1.00 18.02 C ATOM 1032 C ARG A 112 -34.721 11.958 -4.771 1.00 16.72 C ATOM 1033 O ARG A 112 -34.499 12.595 -3.738 1.00 21.62 O ATOM 1034 CB ARG A 112 -32.721 10.685 -5.554 1.00 22.96 C ATOM 1035 CG ARG A 112 -31.794 10.337 -6.707 1.00 30.51 C ATOM 1036 CD ARG A 112 -32.502 9.543 -7.806 1.00 47.15 C ATOM 1037 NE ARG A 112 -32.356 8.099 -7.619 1.00 47.59 N ATOM 1038 CZ ARG A 112 -33.352 7.234 -7.430 1.00 46.75 C ATOM 1039 NH1 ARG A 112 -33.078 5.946 -7.271 1.00 54.06 N ATOM 1040 NH2 ARG A 112 -34.617 7.631 -7.412 1.00 60.09 N ATOM 1041 HE ARG A 112 -31.390 7.714 -7.635 1.00 0.00 H ATOM 1042 HH12 ARG A 112 -33.850 5.265 -7.123 1.00 0.00 H ATOM 1043 HH11 ARG A 112 -32.092 5.617 -7.294 1.00 0.00 H ATOM 1044 HH22 ARG A 112 -35.378 6.938 -7.263 1.00 0.00 H ATOM 1045 HH21 ARG A 112 -34.849 8.636 -7.547 1.00 0.00 H ATOM 1046 H ARG A 112 -32.539 13.524 -5.090 1.00 0.00 H ATOM 1047 N TYR A 113 -35.873 11.337 -5.002 1.00 25.65 N ATOM 1048 CA TYR A 113 -36.898 11.280 -3.974 1.00 30.23 C ATOM 1049 C TYR A 113 -37.545 9.908 -4.004 1.00 28.75 C ATOM 1050 O TYR A 113 -37.462 9.182 -4.998 1.00 26.13 O ATOM 1051 CB TYR A 113 -37.939 12.384 -4.153 1.00 32.82 C ATOM 1052 CG TYR A 113 -38.743 12.270 -5.420 1.00 33.30 C ATOM 1053 CD1 TYR A 113 -40.030 11.755 -5.405 1.00 41.88 C ATOM 1054 CD2 TYR A 113 -38.214 12.685 -6.637 1.00 33.93 C ATOM 1055 CE1 TYR A 113 -40.770 11.656 -6.566 1.00 46.86 C ATOM 1056 CE2 TYR A 113 -38.946 12.592 -7.804 1.00 43.41 C ATOM 1057 CZ TYR A 113 -40.223 12.077 -7.763 1.00 47.55 C ATOM 1058 OH TYR A 113 -40.951 11.984 -8.927 1.00 54.38 O ATOM 1059 HH TYR A 113 -41.840 11.597 -8.729 1.00 0.00 H ATOM 1060 H TYR A 113 -36.042 10.889 -5.925 1.00 0.00 H ATOM 1061 N ASN A 114 -38.186 9.560 -2.887 1.00 28.85 N ATOM 1062 CA ASN A 114 -38.696 8.211 -2.683 1.00 32.91 C ATOM 1063 C ASN A 114 -37.618 7.189 -3.021 1.00 34.84 C ATOM 1064 O ASN A 114 -37.879 6.167 -3.658 1.00 34.65 O ATOM 1065 CB ASN A 114 -39.960 7.970 -3.510 1.00 42.29 C ATOM 1066 H ASN A 114 -38.325 10.271 -2.141 1.00 0.00 H ATOM 1067 N ALA A 115 -36.384 7.475 -2.596 1.00 23.35 N ATOM 1068 CA ALA A 115 -35.246 6.680 -3.019 1.00 26.98 C ATOM 1069 C ALA A 115 -34.463 6.133 -1.827 1.00 21.56 C ATOM 1070 O ALA A 115 -34.392 6.773 -0.768 1.00 20.96 O ATOM 1071 CB ALA A 115 -34.298 7.506 -3.900 1.00 35.32 C ATOM 1072 H ALA A 115 -36.237 8.279 -1.953 1.00 0.00 H ATOM 1073 N PRO A 116 -33.847 4.959 -1.982 1.00 25.59 N ATOM 1074 CA PRO A 116 -32.997 4.419 -0.911 1.00 28.91 C ATOM 1075 C PRO A 116 -31.771 5.280 -0.651 1.00 29.30 C ATOM 1076 O PRO A 116 -31.153 5.818 -1.572 1.00 26.54 O ATOM 1077 CB PRO A 116 -32.590 3.039 -1.444 1.00 28.39 C ATOM 1078 CG PRO A 116 -33.604 2.715 -2.483 1.00 26.28 C ATOM 1079 CD PRO A 116 -33.977 4.011 -3.103 1.00 25.29 C ATOM 1080 N SER A 117 -31.412 5.377 0.625 1.00 24.83 N ATOM 1081 CA SER A 117 -30.232 6.102 1.066 1.00 23.87 C ATOM 1082 C SER A 117 -29.765 5.471 2.368 1.00 18.13 C ATOM 1083 O SER A 117 -30.362 4.514 2.862 1.00 19.28 O ATOM 1084 CB SER A 117 -30.529 7.595 1.243 1.00 17.35 C ATOM 1085 OG SER A 117 -31.312 7.838 2.402 1.00 18.02 O ATOM 1086 HG SER A 117 -32.172 7.355 2.325 1.00 0.00 H ATOM 1087 H SER A 117 -32.004 4.912 1.342 1.00 0.00 H ATOM 1088 N ILE A 118 -28.691 6.024 2.933 1.00 17.42 N ATOM 1089 CA ILE A 118 -28.240 5.618 4.256 1.00 17.98 C ATOM 1090 C ILE A 118 -29.224 6.009 5.353 1.00 26.87 C ATOM 1091 O ILE A 118 -29.032 5.621 6.511 1.00 24.70 O ATOM 1092 CB ILE A 118 -26.849 6.220 4.559 1.00 17.33 C ATOM 1093 CG1 ILE A 118 -26.896 7.750 4.487 1.00 16.67 C ATOM 1094 CG2 ILE A 118 -25.805 5.657 3.591 1.00 17.01 C ATOM 1095 CD1 ILE A 118 -25.638 8.427 4.977 1.00 30.24 C ATOM 1096 H ILE A 118 -28.166 6.759 2.418 1.00 0.00 H ATOM 1097 N ASP A 119 -30.266 6.782 5.029 1.00 21.96 N ATOM 1098 CA ASP A 119 -31.298 7.133 5.999 1.00 22.69 C ATOM 1099 C ASP A 119 -32.562 6.291 5.873 1.00 23.52 C ATOM 1100 O ASP A 119 -33.419 6.363 6.756 1.00 26.12 O ATOM 1101 CB ASP A 119 -31.679 8.616 5.869 1.00 32.91 C ATOM 1102 CG ASP A 119 -30.723 9.546 6.604 1.00 28.96 C ATOM 1103 OD1 ASP A 119 -29.805 9.063 7.301 1.00 27.09 O ATOM 1104 OD2 ASP A 119 -30.912 10.779 6.499 1.00 30.00 O ATOM 1105 H ASP A 119 -30.343 7.144 4.057 1.00 0.00 H ATOM 1106 N GLY A 120 -32.721 5.518 4.812 1.00 28.26 N ATOM 1107 CA GLY A 120 -33.914 4.707 4.671 1.00 31.24 C ATOM 1108 C GLY A 120 -34.210 4.393 3.221 1.00 33.18 C ATOM 1109 O GLY A 120 -33.498 4.810 2.307 1.00 45.30 O ATOM 1110 H GLY A 120 -31.987 5.492 4.076 1.00 0.00 H ATOM 1111 N ASP A 121 -35.302 3.643 3.033 1.00 39.18 N ATOM 1112 CA ASP A 121 -35.650 3.127 1.713 1.00 40.18 C ATOM 1113 C ASP A 121 -36.344 4.155 0.831 1.00 30.23 C ATOM 1114 O ASP A 121 -36.321 4.006 -0.393 1.00 29.02 O ATOM 1115 CB ASP A 121 -36.563 1.904 1.831 1.00 39.13 C ATOM 1116 CG ASP A 121 -36.016 0.851 2.771 1.00 52.44 C ATOM 1117 OD1 ASP A 121 -35.072 0.133 2.375 1.00 58.94 O ATOM 1118 OD2 ASP A 121 -36.540 0.729 3.899 1.00 65.59 O ATOM 1119 H ASP A 121 -35.915 3.423 3.844 1.00 0.00 H ATOM 1120 N ARG A 122 -36.979 5.183 1.416 1.00 31.78 N ATOM 1121 CA ARG A 122 -37.756 6.156 0.645 1.00 32.72 C ATOM 1122 C ARG A 122 -37.417 7.546 1.183 1.00 33.04 C ATOM 1123 O ARG A 122 -38.133 8.111 2.011 1.00 33.20 O ATOM 1124 CB ARG A 122 -39.253 5.857 0.720 1.00 47.11 C ATOM 1125 CG ARG A 122 -39.620 4.482 0.186 1.00 42.54 C ATOM 1126 H ARG A 122 -36.917 5.292 2.448 1.00 0.00 H ATOM 1127 N THR A 123 -36.313 8.106 0.690 1.00 22.67 N ATOM 1128 CA THR A 123 -35.811 9.376 1.187 1.00 21.74 C ATOM 1129 C THR A 123 -35.554 10.325 0.024 1.00 22.93 C ATOM 1130 O THR A 123 -35.555 9.932 -1.145 1.00 22.07 O ATOM 1131 CB THR A 123 -34.533 9.179 2.007 1.00 32.32 C ATOM 1132 OG1 THR A 123 -33.493 8.670 1.163 1.00 29.71 O ATOM 1133 CG2 THR A 123 -34.793 8.202 3.140 1.00 35.24 C ATOM 1134 HG1 THR A 123 -32.669 8.544 1.697 1.00 0.00 H ATOM 1135 H THR A 123 -35.796 7.621 -0.071 1.00 0.00 H ATOM 1136 N THR A 124 -35.331 11.594 0.366 1.00 20.89 N ATOM 1137 CA THR A 124 -35.034 12.639 -0.606 1.00 20.68 C ATOM 1138 C THR A 124 -33.621 13.141 -0.362 1.00 20.31 C ATOM 1139 O THR A 124 -33.242 13.400 0.783 1.00 22.84 O ATOM 1140 CB THR A 124 -36.018 13.810 -0.503 1.00 24.49 C ATOM 1141 OG1 THR A 124 -37.360 13.343 -0.716 1.00 24.36 O ATOM 1142 CG2 THR A 124 -35.696 14.878 -1.542 1.00 28.35 C ATOM 1143 HG1 THR A 124 -37.585 12.666 -0.030 1.00 0.00 H ATOM 1144 H THR A 124 -35.371 11.850 1.373 1.00 0.00 H ATOM 1145 N PHE A 125 -32.843 13.282 -1.429 1.00 19.88 N ATOM 1146 CA PHE A 125 -31.487 13.787 -1.266 1.00 17.58 C ATOM 1147 C PHE A 125 -30.995 14.355 -2.585 1.00 21.68 C ATOM 1148 O PHE A 125 -31.532 14.066 -3.655 1.00 21.76 O ATOM 1149 CB PHE A 125 -30.528 12.703 -0.763 1.00 21.99 C ATOM 1150 CG PHE A 125 -30.568 11.435 -1.564 1.00 19.39 C ATOM 1151 CD1 PHE A 125 -31.487 10.444 -1.267 1.00 27.51 C ATOM 1152 CD2 PHE A 125 -29.689 11.232 -2.608 1.00 15.32 C ATOM 1153 CE1 PHE A 125 -31.530 9.280 -2.000 1.00 23.32 C ATOM 1154 CE2 PHE A 125 -29.725 10.061 -3.348 1.00 18.13 C ATOM 1155 CZ PHE A 125 -30.651 9.086 -3.040 1.00 18.43 C ATOM 1156 H PHE A 125 -33.200 13.034 -2.374 1.00 0.00 H ATOM 1157 N THR A 126 -29.964 15.176 -2.476 1.00 17.07 N ATOM 1158 CA THR A 126 -29.224 15.696 -3.612 1.00 15.58 C ATOM 1159 C THR A 126 -27.978 14.850 -3.831 1.00 15.70 C ATOM 1160 O THR A 126 -27.427 14.274 -2.885 1.00 12.53 O ATOM 1161 CB THR A 126 -28.833 17.150 -3.360 1.00 17.71 C ATOM 1162 OG1 THR A 126 -30.006 17.900 -3.029 1.00 20.90 O ATOM 1163 CG2 THR A 126 -28.169 17.767 -4.580 1.00 21.92 C ATOM 1164 HG1 THR A 126 -30.649 17.853 -3.780 1.00 0.00 H ATOM 1165 H THR A 126 -29.666 15.466 -1.523 1.00 0.00 H ATOM 1166 N GLN A 127 -27.558 14.773 -5.098 1.00 12.12 N ATOM 1167 CA GLN A 127 -26.346 14.072 -5.502 1.00 12.04 C ATOM 1168 C GLN A 127 -25.416 15.064 -6.188 1.00 11.01 C ATOM 1169 O GLN A 127 -25.848 15.815 -7.074 1.00 11.71 O ATOM 1170 CB GLN A 127 -26.667 12.909 -6.449 1.00 12.90 C ATOM 1171 CG GLN A 127 -27.717 11.930 -5.913 1.00 10.61 C ATOM 1172 CD GLN A 127 -28.224 10.948 -6.961 1.00 13.05 C ATOM 1173 OE1 GLN A 127 -28.839 11.340 -7.952 1.00 17.92 O ATOM 1174 NE2 GLN A 127 -28.003 9.663 -6.723 1.00 16.18 N ATOM 1175 HE22 GLN A 127 -27.478 9.374 -5.873 1.00 0.00 H ATOM 1176 HE21 GLN A 127 -28.354 8.943 -7.387 1.00 0.00 H ATOM 1177 H GLN A 127 -28.126 15.238 -5.834 1.00 0.00 H ATOM 1178 N TYR A 128 -24.148 15.077 -5.781 1.00 11.52 N ATOM 1179 CA TYR A 128 -23.130 15.864 -6.458 1.00 11.26 C ATOM 1180 C TYR A 128 -22.217 14.939 -7.256 1.00 11.64 C ATOM 1181 O TYR A 128 -21.821 13.872 -6.767 1.00 9.51 O ATOM 1182 CB TYR A 128 -22.283 16.665 -5.474 1.00 11.49 C ATOM 1183 CG TYR A 128 -22.994 17.699 -4.627 1.00 11.48 C ATOM 1184 CD1 TYR A 128 -24.269 18.155 -4.939 1.00 11.89 C ATOM 1185 CD2 TYR A 128 -22.363 18.243 -3.510 1.00 13.20 C ATOM 1186 CE1 TYR A 128 -24.892 19.120 -4.149 1.00 16.64 C ATOM 1187 CE2 TYR A 128 -22.980 19.191 -2.723 1.00 15.80 C ATOM 1188 CZ TYR A 128 -24.242 19.631 -3.048 1.00 19.68 C ATOM 1189 OH TYR A 128 -24.859 20.582 -2.257 1.00 14.86 O ATOM 1190 HH TYR A 128 -24.953 20.233 -1.336 1.00 0.00 H ATOM 1191 H TYR A 128 -23.878 14.507 -4.954 1.00 0.00 H ATOM 1192 N TRP A 129 -21.854 15.360 -8.472 1.00 9.86 N ATOM 1193 CA TRP A 129 -21.068 14.524 -9.374 1.00 9.71 C ATOM 1194 C TRP A 129 -19.876 15.280 -9.935 1.00 9.59 C ATOM 1195 O TRP A 129 -19.993 16.438 -10.334 1.00 10.00 O ATOM 1196 CB TRP A 129 -21.870 14.025 -10.577 1.00 9.36 C ATOM 1197 CG TRP A 129 -23.149 13.330 -10.260 1.00 9.35 C ATOM 1198 CD1 TRP A 129 -24.314 13.917 -9.877 1.00 9.77 C ATOM 1199 CD2 TRP A 129 -23.413 11.924 -10.330 1.00 9.04 C ATOM 1200 NE1 TRP A 129 -25.285 12.972 -9.690 1.00 10.30 N ATOM 1201 CE2 TRP A 129 -24.758 11.737 -9.962 1.00 9.30 C ATOM 1202 CE3 TRP A 129 -22.645 10.806 -10.666 1.00 9.72 C ATOM 1203 CZ2 TRP A 129 -25.347 10.479 -9.911 1.00 10.50 C ATOM 1204 CZ3 TRP A 129 -23.240 9.557 -10.609 1.00 8.84 C ATOM 1205 CH2 TRP A 129 -24.569 9.407 -10.229 1.00 9.23 C ATOM 1206 HE1 TRP A 129 -26.263 13.160 -9.390 1.00 0.00 H ATOM 1207 H TRP A 129 -22.140 16.310 -8.784 1.00 0.00 H ATOM 1208 N SER A 130 -18.734 14.603 -9.959 1.00 10.68 N ATOM 1209 CA SER A 130 -17.637 14.888 -10.871 1.00 9.47 C ATOM 1210 C SER A 130 -17.468 13.664 -11.755 1.00 11.67 C ATOM 1211 O SER A 130 -17.189 12.576 -11.243 1.00 9.60 O ATOM 1212 CB SER A 130 -16.332 15.160 -10.121 1.00 12.84 C ATOM 1213 OG SER A 130 -16.345 16.418 -9.490 1.00 10.13 O ATOM 1214 HG SER A 130 -15.487 16.557 -9.017 1.00 0.00 H ATOM 1215 H SER A 130 -18.616 13.821 -9.284 1.00 0.00 H ATOM 1216 N VAL A 131 -17.660 13.827 -13.063 1.00 11.73 N ATOM 1217 CA VAL A 131 -17.564 12.719 -14.014 1.00 12.59 C ATOM 1218 C VAL A 131 -16.424 13.012 -14.982 1.00 10.36 C ATOM 1219 O VAL A 131 -16.470 14.003 -15.727 1.00 10.20 O ATOM 1220 CB VAL A 131 -18.886 12.500 -14.765 1.00 10.38 C ATOM 1221 CG1 VAL A 131 -18.770 11.330 -15.747 1.00 9.80 C ATOM 1222 CG2 VAL A 131 -19.996 12.243 -13.776 1.00 8.92 C ATOM 1223 H VAL A 131 -17.886 14.777 -13.422 1.00 0.00 H ATOM 1224 N ARG A 132 -15.414 12.140 -14.996 1.00 9.35 N ATOM 1225 CA ARG A 132 -14.259 12.373 -15.857 1.00 10.40 C ATOM 1226 C ARG A 132 -14.690 12.404 -17.324 1.00 11.34 C ATOM 1227 O ARG A 132 -15.560 11.641 -17.750 1.00 13.85 O ATOM 1228 CB ARG A 132 -13.202 11.290 -15.628 1.00 10.30 C ATOM 1229 CG ARG A 132 -11.751 11.705 -15.872 1.00 13.59 C ATOM 1230 CD ARG A 132 -10.832 10.549 -15.538 1.00 12.83 C ATOM 1231 NE ARG A 132 -9.404 10.848 -15.663 1.00 12.46 N ATOM 1232 CZ ARG A 132 -8.698 10.733 -16.787 1.00 14.71 C ATOM 1233 NH1 ARG A 132 -9.274 10.358 -17.928 1.00 16.56 N ATOM 1234 NH2 ARG A 132 -7.403 11.009 -16.771 1.00 12.99 N ATOM 1235 HE ARG A 132 -8.904 11.174 -14.811 1.00 0.00 H ATOM 1236 HH12 ARG A 132 -8.705 10.274 -18.795 1.00 0.00 H ATOM 1237 HH11 ARG A 132 -10.292 10.149 -17.952 1.00 0.00 H ATOM 1238 HH22 ARG A 132 -6.842 10.923 -17.643 1.00 0.00 H ATOM 1239 HH21 ARG A 132 -6.947 11.312 -15.887 1.00 0.00 H ATOM 1240 H ARG A 132 -15.450 11.294 -14.393 1.00 0.00 H ATOM 1241 N GLN A 133 -14.093 13.319 -18.093 1.00 10.83 N ATOM 1242 CA GLN A 133 -14.526 13.522 -19.475 1.00 12.57 C ATOM 1243 C GLN A 133 -14.122 12.371 -20.372 1.00 13.86 C ATOM 1244 O GLN A 133 -14.791 12.104 -21.378 1.00 14.51 O ATOM 1245 CB GLN A 133 -13.948 14.823 -20.011 1.00 11.46 C ATOM 1246 CG GLN A 133 -14.516 16.017 -19.315 1.00 11.49 C ATOM 1247 CD GLN A 133 -14.020 17.314 -19.895 1.00 14.88 C ATOM 1248 OE1 GLN A 133 -12.969 17.376 -20.531 1.00 15.42 O ATOM 1249 NE2 GLN A 133 -14.785 18.362 -19.687 1.00 12.35 N ATOM 1250 HE22 GLN A 133 -15.666 18.263 -19.143 1.00 0.00 H ATOM 1251 HE21 GLN A 133 -14.510 19.290 -20.066 1.00 0.00 H ATOM 1252 H GLN A 133 -13.315 13.891 -17.706 1.00 0.00 H ATOM 1253 N SER A 134 -13.026 11.698 -20.041 1.00 16.58 N ATOM 1254 CA SER A 134 -12.616 10.464 -20.691 1.00 15.16 C ATOM 1255 C SER A 134 -12.333 9.434 -19.607 1.00 12.33 C ATOM 1256 O SER A 134 -11.851 9.775 -18.524 1.00 10.54 O ATOM 1257 CB SER A 134 -11.374 10.674 -21.570 1.00 17.16 C ATOM 1258 OG SER A 134 -10.307 11.216 -20.817 1.00 23.30 O ATOM 1259 HG SER A 134 -10.581 12.089 -20.440 1.00 0.00 H ATOM 1260 H SER A 134 -12.429 12.074 -19.276 1.00 0.00 H ATOM 1261 N LYS A 135 -12.653 8.176 -19.896 1.00 13.34 N ATOM 1262 CA LYS A 135 -12.431 7.109 -18.926 1.00 10.23 C ATOM 1263 C LYS A 135 -10.960 7.056 -18.523 1.00 11.10 C ATOM 1264 O LYS A 135 -10.070 7.122 -19.371 1.00 11.98 O ATOM 1265 CB LYS A 135 -12.875 5.766 -19.499 1.00 13.00 C ATOM 1266 CG LYS A 135 -14.366 5.666 -19.703 1.00 12.98 C ATOM 1267 CD LYS A 135 -14.719 4.374 -20.405 1.00 15.61 C ATOM 1268 CE LYS A 135 -16.174 4.317 -20.789 1.00 14.30 C ATOM 1269 NZ LYS A 135 -16.508 3.014 -21.441 1.00 20.61 N ATOM 1270 HZ1 LYS A 135 -15.932 2.900 -22.299 1.00 0.00 H ATOM 1271 HZ2 LYS A 135 -16.307 2.236 -20.781 1.00 0.00 H ATOM 1272 HZ3 LYS A 135 -17.517 3.003 -21.695 1.00 0.00 H ATOM 1273 H LYS A 135 -13.066 7.950 -20.823 1.00 0.00 H ATOM 1274 N ARG A 136 -10.708 6.952 -17.210 1.00 10.57 N ATOM 1275 CA ARG A 136 -9.351 6.963 -16.688 1.00 10.65 C ATOM 1276 C ARG A 136 -8.713 5.600 -16.926 1.00 12.18 C ATOM 1277 O ARG A 136 -9.367 4.576 -16.712 1.00 14.21 O ATOM 1278 CB ARG A 136 -9.352 7.260 -15.192 1.00 10.32 C ATOM 1279 CG ARG A 136 -7.996 7.636 -14.619 1.00 14.88 C ATOM 1280 CD ARG A 136 -8.140 8.044 -13.157 1.00 14.99 C ATOM 1281 NE ARG A 136 -6.897 8.554 -12.606 1.00 15.73 N ATOM 1282 CZ ARG A 136 -6.787 9.185 -11.438 1.00 11.85 C ATOM 1283 NH1 ARG A 136 -7.850 9.384 -10.669 1.00 14.45 N ATOM 1284 NH2 ARG A 136 -5.598 9.592 -11.034 1.00 11.84 N ATOM 1285 HE ARG A 136 -6.030 8.417 -13.164 1.00 0.00 H ATOM 1286 HH12 ARG A 136 -7.749 9.878 -9.760 1.00 0.00 H ATOM 1287 HH11 ARG A 136 -8.784 9.046 -10.976 1.00 0.00 H ATOM 1288 HH22 ARG A 136 -5.499 10.086 -10.124 1.00 0.00 H ATOM 1289 HH21 ARG A 136 -4.760 9.419 -11.626 1.00 0.00 H ATOM 1290 H ARG A 136 -11.504 6.861 -16.547 1.00 0.00 H ATOM 1291 N PRO A 137 -7.454 5.548 -17.365 1.00 12.43 N ATOM 1292 CA PRO A 137 -6.775 4.249 -17.460 1.00 14.92 C ATOM 1293 C PRO A 137 -6.719 3.589 -16.090 1.00 14.92 C ATOM 1294 O PRO A 137 -6.576 4.263 -15.071 1.00 14.15 O ATOM 1295 CB PRO A 137 -5.373 4.604 -17.978 1.00 19.02 C ATOM 1296 CG PRO A 137 -5.486 6.004 -18.518 1.00 20.52 C ATOM 1297 CD PRO A 137 -6.562 6.666 -17.718 1.00 18.18 C ATOM 1298 N THR A 138 -6.864 2.261 -16.072 1.00 14.23 N ATOM 1299 CA THR A 138 -6.835 1.472 -14.843 1.00 11.89 C ATOM 1300 C THR A 138 -5.657 0.502 -14.882 1.00 13.33 C ATOM 1301 O THR A 138 -5.085 0.225 -15.942 1.00 14.86 O ATOM 1302 CB THR A 138 -8.143 0.688 -14.659 1.00 11.36 C ATOM 1303 OG1 THR A 138 -8.358 -0.133 -15.810 1.00 13.91 O ATOM 1304 CG2 THR A 138 -9.335 1.626 -14.480 1.00 14.02 C ATOM 1305 HG1 THR A 138 -7.601 -0.763 -15.910 1.00 0.00 H ATOM 1306 H THR A 138 -7.004 1.766 -16.976 1.00 0.00 H ATOM 1307 N GLY A 139 -5.300 -0.012 -13.707 1.00 12.08 N ATOM 1308 CA GLY A 139 -4.252 -1.006 -13.567 1.00 12.80 C ATOM 1309 C GLY A 139 -2.977 -0.494 -12.943 1.00 13.41 C ATOM 1310 O GLY A 139 -2.101 -1.304 -12.610 1.00 14.05 O ATOM 1311 H GLY A 139 -5.794 0.313 -12.852 1.00 0.00 H ATOM 1312 N SER A 140 -2.823 0.822 -12.822 1.00 19.34 N ATOM 1313 CA SER A 140 -1.718 1.465 -12.131 1.00 16.33 C ATOM 1314 C SER A 140 -2.268 2.273 -10.959 1.00 16.65 C ATOM 1315 O SER A 140 -3.473 2.529 -10.848 1.00 18.02 O ATOM 1316 CB SER A 140 -0.925 2.387 -13.076 1.00 17.09 C ATOM 1317 OG SER A 140 -0.315 1.661 -14.131 1.00 24.66 O ATOM 1318 HG SER A 140 0.184 2.286 -14.715 1.00 0.00 H ATOM 1319 H SER A 140 -3.545 1.434 -13.253 1.00 0.00 H ATOM 1320 N ASN A 141 -1.373 2.684 -10.069 1.00 14.73 N ATOM 1321 CA ASN A 141 -1.809 3.490 -8.939 1.00 13.48 C ATOM 1322 C ASN A 141 -2.390 4.806 -9.429 1.00 13.16 C ATOM 1323 O ASN A 141 -1.831 5.461 -10.309 1.00 15.48 O ATOM 1324 CB ASN A 141 -0.654 3.749 -7.977 1.00 19.11 C ATOM 1325 CG ASN A 141 -0.195 2.491 -7.277 1.00 27.56 C ATOM 1326 OD1 ASN A 141 -0.865 1.457 -7.329 1.00 17.93 O ATOM 1327 ND2 ASN A 141 0.947 2.572 -6.608 1.00 24.76 N ATOM 1328 HD22 ASN A 141 1.478 3.466 -6.592 1.00 0.00 H ATOM 1329 HD21 ASN A 141 1.311 1.742 -6.099 1.00 0.00 H ATOM 1330 H ASN A 141 -0.370 2.432 -10.178 1.00 0.00 H ATOM 1331 N ALA A 142 -3.526 5.181 -8.840 1.00 15.07 N ATOM 1332 CA ALA A 142 -4.263 6.377 -9.199 1.00 13.23 C ATOM 1333 C ALA A 142 -4.620 7.132 -7.924 1.00 13.72 C ATOM 1334 O ALA A 142 -4.834 6.536 -6.866 1.00 13.68 O ATOM 1335 CB ALA A 142 -5.535 6.019 -9.988 1.00 13.10 C ATOM 1336 H ALA A 142 -3.905 4.581 -8.080 1.00 0.00 H ATOM 1337 N THR A 143 -4.676 8.450 -8.016 1.00 14.84 N ATOM 1338 CA THR A 143 -5.073 9.266 -6.878 1.00 13.65 C ATOM 1339 C THR A 143 -6.316 10.075 -7.219 1.00 14.05 C ATOM 1340 O THR A 143 -6.489 10.526 -8.355 1.00 11.45 O ATOM 1341 CB THR A 143 -3.940 10.204 -6.449 1.00 17.31 C ATOM 1342 OG1 THR A 143 -3.627 11.109 -7.514 1.00 32.07 O ATOM 1343 CG2 THR A 143 -2.707 9.409 -6.092 1.00 13.87 C ATOM 1344 HG1 THR A 143 -2.895 11.711 -7.229 1.00 0.00 H ATOM 1345 H THR A 143 -4.432 8.911 -8.916 1.00 0.00 H ATOM 1346 N ILE A 144 -7.183 10.245 -6.228 1.00 11.13 N ATOM 1347 CA ILE A 144 -8.267 11.219 -6.291 1.00 10.86 C ATOM 1348 C ILE A 144 -8.031 12.191 -5.150 1.00 12.71 C ATOM 1349 O ILE A 144 -8.217 11.841 -3.974 1.00 11.32 O ATOM 1350 CB ILE A 144 -9.656 10.582 -6.188 1.00 10.14 C ATOM 1351 CG1 ILE A 144 -9.965 9.791 -7.455 1.00 9.78 C ATOM 1352 CG2 ILE A 144 -10.724 11.673 -5.979 1.00 10.66 C ATOM 1353 CD1 ILE A 144 -11.244 8.945 -7.366 1.00 9.19 C ATOM 1354 H ILE A 144 -7.085 9.661 -5.373 1.00 0.00 H ATOM 1355 N THR A 145 -7.608 13.401 -5.499 1.00 14.20 N ATOM 1356 CA THR A 145 -7.397 14.484 -4.542 1.00 13.66 C ATOM 1357 C THR A 145 -8.748 15.138 -4.307 1.00 12.20 C ATOM 1358 O THR A 145 -9.123 16.104 -4.969 1.00 12.25 O ATOM 1359 CB THR A 145 -6.378 15.481 -5.076 1.00 13.26 C ATOM 1360 OG1 THR A 145 -5.186 14.779 -5.451 1.00 15.04 O ATOM 1361 CG2 THR A 145 -6.041 16.513 -4.016 1.00 15.97 C ATOM 1362 HG1 THR A 145 -5.402 14.115 -6.153 1.00 0.00 H ATOM 1363 H THR A 145 -7.417 13.586 -6.504 1.00 0.00 H ATOM 1364 N PHE A 146 -9.486 14.583 -3.344 1.00 11.80 N ATOM 1365 CA PHE A 146 -10.899 14.903 -3.193 1.00 12.16 C ATOM 1366 C PHE A 146 -11.139 16.372 -2.864 1.00 12.03 C ATOM 1367 O PHE A 146 -12.175 16.926 -3.244 1.00 12.95 O ATOM 1368 CB PHE A 146 -11.501 13.998 -2.118 1.00 12.14 C ATOM 1369 CG PHE A 146 -12.977 14.176 -1.934 1.00 10.89 C ATOM 1370 CD1 PHE A 146 -13.835 14.149 -3.033 1.00 10.45 C ATOM 1371 CD2 PHE A 146 -13.506 14.333 -0.669 1.00 11.17 C ATOM 1372 CE1 PHE A 146 -15.195 14.307 -2.859 1.00 10.39 C ATOM 1373 CE2 PHE A 146 -14.865 14.483 -0.483 1.00 12.65 C ATOM 1374 CZ PHE A 146 -15.713 14.466 -1.580 1.00 13.54 C ATOM 1375 H PHE A 146 -9.043 13.908 -2.688 1.00 0.00 H ATOM 1376 N SER A 147 -10.213 17.025 -2.160 1.00 12.79 N ATOM 1377 CA SER A 147 -10.394 18.447 -1.857 1.00 14.50 C ATOM 1378 C SER A 147 -10.563 19.283 -3.123 1.00 13.51 C ATOM 1379 O SER A 147 -11.265 20.306 -3.097 1.00 13.82 O ATOM 1380 CB SER A 147 -9.216 18.975 -1.025 1.00 14.39 C ATOM 1381 OG SER A 147 -7.991 18.883 -1.728 1.00 14.66 O ATOM 1382 HG SER A 147 -8.048 19.417 -2.560 1.00 0.00 H ATOM 1383 H SER A 147 -9.364 16.525 -1.827 1.00 0.00 H ATOM 1384 N ASN A 148 -9.934 18.881 -4.237 1.00 13.57 N ATOM 1385 CA ASN A 148 -10.100 19.627 -5.485 1.00 13.40 C ATOM 1386 C ASN A 148 -11.552 19.613 -5.940 1.00 14.05 C ATOM 1387 O ASN A 148 -12.043 20.595 -6.509 1.00 14.64 O ATOM 1388 CB ASN A 148 -9.221 19.043 -6.599 1.00 13.30 C ATOM 1389 CG ASN A 148 -7.754 19.437 -6.478 1.00 17.38 C ATOM 1390 OD1 ASN A 148 -7.412 20.456 -5.878 1.00 16.02 O ATOM 1391 ND2 ASN A 148 -6.881 18.624 -7.061 1.00 17.02 N ATOM 1392 HD22 ASN A 148 -7.214 17.773 -7.558 1.00 0.00 H ATOM 1393 HD21 ASN A 148 -5.864 18.838 -7.021 1.00 0.00 H ATOM 1394 H ASN A 148 -9.327 18.037 -4.214 1.00 0.00 H ATOM 1395 N HIS A 149 -12.242 18.490 -5.722 1.00 12.12 N ATOM 1396 CA HIS A 149 -13.642 18.361 -6.111 1.00 14.32 C ATOM 1397 C HIS A 149 -14.549 19.102 -5.140 1.00 11.99 C ATOM 1398 O HIS A 149 -15.439 19.850 -5.561 1.00 13.79 O ATOM 1399 CB HIS A 149 -14.017 16.874 -6.192 1.00 10.93 C ATOM 1400 CG HIS A 149 -13.275 16.141 -7.263 1.00 11.42 C ATOM 1401 ND1 HIS A 149 -13.725 16.075 -8.564 1.00 10.65 N ATOM 1402 CD2 HIS A 149 -12.097 15.472 -7.238 1.00 10.81 C ATOM 1403 CE1 HIS A 149 -12.856 15.397 -9.296 1.00 10.76 C ATOM 1404 NE2 HIS A 149 -11.863 15.015 -8.515 1.00 10.90 N ATOM 1405 H HIS A 149 -11.768 17.686 -5.263 1.00 0.00 H ATOM 1406 N VAL A 150 -14.321 18.919 -3.837 1.00 12.19 N ATOM 1407 CA VAL A 150 -15.098 19.643 -2.826 1.00 12.66 C ATOM 1408 C VAL A 150 -15.050 21.136 -3.108 1.00 13.40 C ATOM 1409 O VAL A 150 -16.073 21.827 -3.067 1.00 13.66 O ATOM 1410 CB VAL A 150 -14.582 19.323 -1.406 1.00 12.96 C ATOM 1411 CG1 VAL A 150 -15.318 20.150 -0.323 1.00 13.62 C ATOM 1412 CG2 VAL A 150 -14.745 17.835 -1.090 1.00 12.29 C ATOM 1413 H VAL A 150 -13.581 18.253 -3.535 1.00 0.00 H ATOM 1414 N ASN A 151 -13.855 21.654 -3.415 1.00 16.34 N ATOM 1415 CA ASN A 151 -13.700 23.088 -3.627 1.00 19.55 C ATOM 1416 C ASN A 151 -14.357 23.545 -4.925 1.00 14.51 C ATOM 1417 O ASN A 151 -14.967 24.620 -4.968 1.00 15.96 O ATOM 1418 CB ASN A 151 -12.219 23.460 -3.617 1.00 15.83 C ATOM 1419 CG ASN A 151 -11.622 23.397 -2.230 1.00 28.07 C ATOM 1420 OD1 ASN A 151 -12.346 23.447 -1.236 1.00 25.76 O ATOM 1421 ND2 ASN A 151 -10.300 23.298 -2.154 1.00 37.49 N ATOM 1422 HD22 ASN A 151 -9.731 23.259 -3.023 1.00 0.00 H ATOM 1423 HD21 ASN A 151 -9.834 23.259 -1.225 1.00 0.00 H ATOM 1424 H ASN A 151 -13.029 21.028 -3.503 1.00 0.00 H ATOM 1425 N ALA A 152 -14.236 22.758 -5.997 1.00 13.86 N ATOM 1426 CA ALA A 152 -14.907 23.117 -7.241 1.00 13.76 C ATOM 1427 C ALA A 152 -16.412 23.146 -7.037 1.00 13.60 C ATOM 1428 O ALA A 152 -17.089 24.102 -7.435 1.00 15.67 O ATOM 1429 CB ALA A 152 -14.537 22.133 -8.353 1.00 13.14 C ATOM 1430 H ALA A 152 -13.664 21.891 -5.945 1.00 0.00 H ATOM 1431 N TRP A 153 -16.950 22.104 -6.409 1.00 13.04 N ATOM 1432 CA TRP A 153 -18.374 22.080 -6.083 1.00 13.01 C ATOM 1433 C TRP A 153 -18.768 23.300 -5.263 1.00 13.88 C ATOM 1434 O TRP A 153 -19.799 23.932 -5.525 1.00 14.23 O ATOM 1435 CB TRP A 153 -18.710 20.794 -5.322 1.00 12.45 C ATOM 1436 CG TRP A 153 -18.454 19.520 -6.086 1.00 11.67 C ATOM 1437 CD1 TRP A 153 -18.247 19.386 -7.425 1.00 13.59 C ATOM 1438 CD2 TRP A 153 -18.359 18.201 -5.531 1.00 11.14 C ATOM 1439 NE1 TRP A 153 -18.043 18.059 -7.744 1.00 10.79 N ATOM 1440 CE2 TRP A 153 -18.101 17.314 -6.598 1.00 11.13 C ATOM 1441 CE3 TRP A 153 -18.474 17.683 -4.238 1.00 11.30 C ATOM 1442 CZ2 TRP A 153 -17.961 15.940 -6.407 1.00 12.73 C ATOM 1443 CZ3 TRP A 153 -18.319 16.319 -4.048 1.00 10.86 C ATOM 1444 CH2 TRP A 153 -18.074 15.466 -5.121 1.00 12.99 C ATOM 1445 HE1 TRP A 153 -17.873 17.686 -8.700 1.00 0.00 H ATOM 1446 H TRP A 153 -16.349 21.296 -6.147 1.00 0.00 H ATOM 1447 N LYS A 154 -17.962 23.639 -4.249 1.00 14.32 N ATOM 1448 CA LYS A 154 -18.284 24.788 -3.410 1.00 17.99 C ATOM 1449 C LYS A 154 -18.419 26.050 -4.254 1.00 15.89 C ATOM 1450 O LYS A 154 -19.352 26.845 -4.066 1.00 16.80 O ATOM 1451 CB LYS A 154 -17.206 24.972 -2.343 1.00 20.63 C ATOM 1452 CG LYS A 154 -17.590 25.928 -1.228 1.00 33.63 C ATOM 1453 H LYS A 154 -17.105 23.082 -4.059 1.00 0.00 H ATOM 1454 N SER A 155 -17.496 26.242 -5.198 1.00 17.75 N ATOM 1455 CA SER A 155 -17.493 27.435 -6.032 1.00 17.10 C ATOM 1456 C SER A 155 -18.725 27.528 -6.920 1.00 16.35 C ATOM 1457 O SER A 155 -18.992 28.602 -7.482 1.00 19.79 O ATOM 1458 CB SER A 155 -16.232 27.452 -6.893 1.00 17.59 C ATOM 1459 OG SER A 155 -16.354 26.521 -7.953 1.00 18.47 O ATOM 1460 HG SER A 155 -16.481 25.613 -7.580 1.00 0.00 H ATOM 1461 H SER A 155 -16.760 25.521 -5.342 1.00 0.00 H ATOM 1462 N HIS A 156 -19.487 26.445 -7.058 1.00 15.57 N ATOM 1463 CA HIS A 156 -20.713 26.465 -7.845 1.00 18.59 C ATOM 1464 C HIS A 156 -21.951 26.305 -6.974 1.00 18.24 C ATOM 1465 O HIS A 156 -23.008 25.919 -7.471 1.00 27.67 O ATOM 1466 CB HIS A 156 -20.654 25.377 -8.913 1.00 18.80 C ATOM 1467 CG HIS A 156 -19.548 25.579 -9.894 1.00 15.20 C ATOM 1468 ND1 HIS A 156 -19.527 26.639 -10.774 1.00 18.16 N ATOM 1469 CD2 HIS A 156 -18.418 24.874 -10.126 1.00 16.96 C ATOM 1470 CE1 HIS A 156 -18.433 26.573 -11.510 1.00 17.31 C ATOM 1471 NE2 HIS A 156 -17.740 25.514 -11.135 1.00 16.43 N ATOM 1472 H HIS A 156 -19.199 25.561 -6.592 1.00 0.00 H ATOM 1473 N GLY A 157 -21.839 26.611 -5.682 1.00 19.25 N ATOM 1474 CA GLY A 157 -22.969 26.539 -4.780 1.00 22.10 C ATOM 1475 C GLY A 157 -23.327 25.150 -4.306 1.00 19.81 C ATOM 1476 O GLY A 157 -24.374 24.978 -3.675 1.00 23.47 O ATOM 1477 H GLY A 157 -20.914 26.910 -5.311 1.00 0.00 H ATOM 1478 N MET A 158 -22.492 24.152 -4.576 1.00 14.84 N ATOM 1479 CA MET A 158 -22.730 22.792 -4.108 1.00 14.17 C ATOM 1480 C MET A 158 -21.912 22.594 -2.833 1.00 17.45 C ATOM 1481 O MET A 158 -20.737 22.232 -2.870 1.00 18.64 O ATOM 1482 CB MET A 158 -22.375 21.787 -5.199 1.00 13.47 C ATOM 1483 CG MET A 158 -23.140 21.994 -6.518 1.00 13.94 C ATOM 1484 SD MET A 158 -22.220 21.351 -7.939 1.00 15.62 S ATOM 1485 CE MET A 158 -21.938 19.635 -7.447 1.00 16.72 C ATOM 1486 H MET A 158 -21.640 24.348 -5.140 1.00 0.00 H ATOM 1487 N ASN A 159 -22.544 22.851 -1.692 1.00 16.71 N ATOM 1488 CA ASN A 159 -21.922 22.663 -0.393 1.00 16.65 C ATOM 1489 C ASN A 159 -22.350 21.330 0.205 1.00 14.58 C ATOM 1490 O ASN A 159 -23.528 20.961 0.162 1.00 16.67 O ATOM 1491 CB ASN A 159 -22.291 23.804 0.551 1.00 16.21 C ATOM 1492 CG ASN A 159 -21.900 25.150 -0.009 1.00 20.46 C ATOM 1493 OD1 ASN A 159 -20.717 25.485 -0.076 1.00 23.14 O ATOM 1494 ND2 ASN A 159 -22.892 25.922 -0.449 1.00 30.28 N ATOM 1495 HD22 ASN A 159 -23.877 25.597 -0.372 1.00 0.00 H ATOM 1496 HD21 ASN A 159 -22.682 26.849 -0.870 1.00 0.00 H ATOM 1497 H ASN A 159 -23.523 23.201 -1.731 1.00 0.00 H ATOM 1498 N LEU A 160 -21.387 20.620 0.769 1.00 17.91 N ATOM 1499 CA LEU A 160 -21.667 19.346 1.394 1.00 13.85 C ATOM 1500 C LEU A 160 -22.176 19.560 2.819 1.00 14.63 C ATOM 1501 O LEU A 160 -22.047 20.642 3.402 1.00 17.02 O ATOM 1502 CB LEU A 160 -20.412 18.471 1.386 1.00 13.25 C ATOM 1503 CG LEU A 160 -20.024 17.932 0.004 1.00 12.46 C ATOM 1504 CD1 LEU A 160 -18.591 17.438 -0.010 1.00 18.44 C ATOM 1505 CD2 LEU A 160 -20.977 16.814 -0.426 1.00 16.35 C ATOM 1506 H LEU A 160 -20.413 20.984 0.763 1.00 0.00 H ATOM 1507 N GLY A 161 -22.805 18.522 3.358 1.00 17.71 N ATOM 1508 CA GLY A 161 -23.276 18.563 4.726 1.00 20.02 C ATOM 1509 C GLY A 161 -22.144 18.560 5.740 1.00 16.77 C ATOM 1510 O GLY A 161 -20.967 18.362 5.422 1.00 18.02 O ATOM 1511 H GLY A 161 -22.962 17.666 2.788 1.00 0.00 H ATOM 1512 N SER A 162 -22.524 18.778 7.007 1.00 16.37 N ATOM 1513 CA SER A 162 -21.547 18.879 8.085 1.00 16.88 C ATOM 1514 C SER A 162 -21.188 17.528 8.702 1.00 20.01 C ATOM 1515 O SER A 162 -20.115 17.409 9.301 1.00 19.50 O ATOM 1516 CB SER A 162 -22.057 19.821 9.189 1.00 20.20 C ATOM 1517 OG SER A 162 -23.364 19.484 9.610 1.00 20.18 O ATOM 1518 HG SER A 162 -23.983 19.545 8.840 1.00 0.00 H ATOM 1519 H SER A 162 -23.536 18.877 7.226 1.00 0.00 H ATOM 1520 N ASN A 163 -22.041 16.513 8.563 1.00 16.04 N ATOM 1521 CA ASN A 163 -21.854 15.219 9.219 1.00 15.80 C ATOM 1522 C ASN A 163 -21.488 14.171 8.174 1.00 18.04 C ATOM 1523 O ASN A 163 -22.349 13.712 7.414 1.00 20.53 O ATOM 1524 CB ASN A 163 -23.117 14.819 9.973 1.00 16.35 C ATOM 1525 CG ASN A 163 -23.023 13.431 10.583 1.00 19.60 C ATOM 1526 OD1 ASN A 163 -21.994 12.757 10.492 1.00 28.17 O ATOM 1527 ND2 ASN A 163 -24.107 12.996 11.209 1.00 33.54 N ATOM 1528 HD22 ASN A 163 -24.954 13.598 11.262 1.00 0.00 H ATOM 1529 HD21 ASN A 163 -24.111 12.053 11.647 1.00 0.00 H ATOM 1530 H ASN A 163 -22.878 16.647 7.960 1.00 0.00 H ATOM 1531 N TRP A 164 -20.225 13.761 8.172 1.00 14.87 N ATOM 1532 CA TRP A 164 -19.692 12.898 7.131 1.00 13.40 C ATOM 1533 C TRP A 164 -19.905 11.423 7.461 1.00 19.11 C ATOM 1534 O TRP A 164 -19.546 10.953 8.549 1.00 14.70 O ATOM 1535 CB TRP A 164 -18.207 13.195 6.925 1.00 16.74 C ATOM 1536 CG TRP A 164 -17.997 14.523 6.277 1.00 28.10 C ATOM 1537 CD1 TRP A 164 -18.226 15.750 6.828 1.00 52.28 C ATOM 1538 CD2 TRP A 164 -17.544 14.761 4.942 1.00 18.62 C ATOM 1539 NE1 TRP A 164 -17.940 16.738 5.919 1.00 41.69 N ATOM 1540 CE2 TRP A 164 -17.519 16.158 4.752 1.00 25.63 C ATOM 1541 CE3 TRP A 164 -17.153 13.928 3.886 1.00 13.16 C ATOM 1542 CZ2 TRP A 164 -17.115 16.739 3.554 1.00 23.77 C ATOM 1543 CZ3 TRP A 164 -16.749 14.497 2.713 1.00 14.40 C ATOM 1544 CH2 TRP A 164 -16.739 15.895 2.546 1.00 16.05 C ATOM 1545 HE1 TRP A 164 -18.029 17.760 6.089 1.00 0.00 H ATOM 1546 H TRP A 164 -19.596 14.068 8.941 1.00 0.00 H ATOM 1547 N ALA A 165 -20.502 10.706 6.515 1.00 15.05 N ATOM 1548 CA ALA A 165 -20.702 9.267 6.609 1.00 13.52 C ATOM 1549 C ALA A 165 -19.598 8.578 5.817 1.00 12.06 C ATOM 1550 O ALA A 165 -18.511 9.140 5.670 1.00 11.87 O ATOM 1551 CB ALA A 165 -22.091 8.876 6.090 1.00 17.50 C ATOM 1552 H ALA A 165 -20.844 11.198 5.665 1.00 0.00 H ATOM 1553 N TYR A 166 -19.853 7.384 5.289 1.00 10.98 N ATOM 1554 CA TYR A 166 -18.779 6.611 4.685 1.00 11.19 C ATOM 1555 C TYR A 166 -18.234 7.285 3.419 1.00 10.11 C ATOM 1556 O TYR A 166 -18.838 8.189 2.832 1.00 10.09 O ATOM 1557 CB TYR A 166 -19.238 5.173 4.398 1.00 11.94 C ATOM 1558 CG TYR A 166 -20.251 4.971 3.285 1.00 10.09 C ATOM 1559 CD1 TYR A 166 -19.942 5.269 1.968 1.00 9.61 C ATOM 1560 CD2 TYR A 166 -21.500 4.428 3.558 1.00 10.04 C ATOM 1561 CE1 TYR A 166 -20.852 5.059 0.957 1.00 9.62 C ATOM 1562 CE2 TYR A 166 -22.420 4.222 2.560 1.00 11.09 C ATOM 1563 CZ TYR A 166 -22.101 4.536 1.268 1.00 9.81 C ATOM 1564 OH TYR A 166 -23.037 4.317 0.286 1.00 12.03 O ATOM 1565 HH TYR A 166 -22.665 4.590 -0.590 1.00 0.00 H ATOM 1566 H TYR A 166 -20.821 7.003 5.308 1.00 0.00 H ATOM 1567 N GLN A 167 -17.046 6.839 3.019 1.00 9.90 N ATOM 1568 CA GLN A 167 -16.332 7.402 1.875 1.00 11.54 C ATOM 1569 C GLN A 167 -15.530 6.251 1.289 1.00 11.83 C ATOM 1570 O GLN A 167 -14.590 5.767 1.922 1.00 10.77 O ATOM 1571 CB GLN A 167 -15.442 8.565 2.307 1.00 10.40 C ATOM 1572 CG GLN A 167 -14.576 9.202 1.212 1.00 12.72 C ATOM 1573 CD GLN A 167 -13.790 10.417 1.731 1.00 13.78 C ATOM 1574 OE1 GLN A 167 -12.996 10.307 2.664 1.00 12.38 O ATOM 1575 NE2 GLN A 167 -14.050 11.586 1.152 1.00 12.87 N ATOM 1576 HE22 GLN A 167 -14.728 11.637 0.365 1.00 0.00 H ATOM 1577 HE21 GLN A 167 -13.575 12.449 1.486 1.00 0.00 H ATOM 1578 H GLN A 167 -16.606 6.056 3.543 1.00 0.00 H ATOM 1579 N VAL A 168 -15.928 5.786 0.108 1.00 8.91 N ATOM 1580 CA VAL A 168 -15.490 4.495 -0.414 1.00 8.69 C ATOM 1581 C VAL A 168 -15.086 4.655 -1.869 1.00 8.44 C ATOM 1582 O VAL A 168 -15.759 5.351 -2.636 1.00 9.16 O ATOM 1583 CB VAL A 168 -16.612 3.436 -0.263 1.00 9.22 C ATOM 1584 CG1 VAL A 168 -16.330 2.171 -1.051 1.00 10.10 C ATOM 1585 CG2 VAL A 168 -16.830 3.085 1.213 1.00 11.32 C ATOM 1586 H VAL A 168 -16.576 6.364 -0.465 1.00 0.00 H ATOM 1587 N MET A 169 -13.996 3.991 -2.262 1.00 11.45 N ATOM 1588 CA MET A 169 -13.663 3.841 -3.675 1.00 10.88 C ATOM 1589 C MET A 169 -14.395 2.608 -4.177 1.00 10.49 C ATOM 1590 O MET A 169 -14.012 1.478 -3.858 1.00 10.49 O ATOM 1591 CB MET A 169 -12.160 3.699 -3.899 1.00 8.63 C ATOM 1592 CG MET A 169 -11.760 3.816 -5.361 1.00 12.83 C ATOM 1593 SD MET A 169 -12.108 5.477 -5.959 1.00 11.24 S ATOM 1594 CE MET A 169 -12.390 5.142 -7.704 1.00 9.80 C ATOM 1595 H MET A 169 -13.370 3.571 -1.545 1.00 0.00 H ATOM 1596 N ALA A 170 -15.438 2.812 -4.972 1.00 7.87 N ATOM 1597 CA ALA A 170 -16.434 1.779 -5.173 1.00 9.09 C ATOM 1598 C ALA A 170 -16.521 1.289 -6.614 1.00 7.69 C ATOM 1599 O ALA A 170 -16.132 1.967 -7.573 1.00 8.66 O ATOM 1600 CB ALA A 170 -17.814 2.291 -4.773 1.00 9.19 C ATOM 1601 H ALA A 170 -15.542 3.726 -5.457 1.00 0.00 H ATOM 1602 N THR A 171 -17.108 0.106 -6.728 1.00 7.85 N ATOM 1603 CA THR A 171 -17.795 -0.356 -7.919 1.00 7.74 C ATOM 1604 C THR A 171 -19.287 -0.203 -7.656 1.00 11.11 C ATOM 1605 O THR A 171 -19.822 -0.829 -6.732 1.00 8.21 O ATOM 1606 CB THR A 171 -17.453 -1.819 -8.210 1.00 9.83 C ATOM 1607 OG1 THR A 171 -16.037 -1.957 -8.309 1.00 10.52 O ATOM 1608 CG2 THR A 171 -18.100 -2.282 -9.492 1.00 11.30 C ATOM 1609 HG1 THR A 171 -15.811 -2.902 -8.497 1.00 0.00 H ATOM 1610 H THR A 171 -17.074 -0.534 -5.909 1.00 0.00 H ATOM 1611 N ALA A 172 -19.941 0.630 -8.455 1.00 8.56 N ATOM 1612 CA ALA A 172 -21.362 0.920 -8.308 1.00 11.02 C ATOM 1613 C ALA A 172 -22.054 0.643 -9.630 1.00 7.96 C ATOM 1614 O ALA A 172 -21.472 0.871 -10.695 1.00 12.98 O ATOM 1615 CB ALA A 172 -21.570 2.376 -7.883 1.00 10.18 C ATOM 1616 H ALA A 172 -19.416 1.098 -9.221 1.00 0.00 H ATOM 1617 N GLY A 173 -23.285 0.127 -9.589 1.00 12.04 N ATOM 1618 CA GLY A 173 -23.958 -0.162 -10.843 1.00 12.75 C ATOM 1619 C GLY A 173 -25.474 -0.163 -10.784 1.00 10.34 C ATOM 1620 O GLY A 173 -26.091 -0.148 -9.712 1.00 13.90 O ATOM 1621 H GLY A 173 -23.751 -0.064 -8.679 1.00 0.00 H ATOM 1622 N TYR A 174 -26.063 -0.157 -11.985 1.00 11.03 N ATOM 1623 CA TYR A 174 -27.498 -0.285 -12.198 1.00 10.94 C ATOM 1624 C TYR A 174 -27.755 -1.017 -13.510 1.00 10.72 C ATOM 1625 O TYR A 174 -27.265 -0.600 -14.562 1.00 13.48 O ATOM 1626 CB TYR A 174 -28.165 1.089 -12.232 1.00 16.17 C ATOM 1627 CG TYR A 174 -29.658 1.019 -12.373 1.00 19.45 C ATOM 1628 CD1 TYR A 174 -30.447 0.605 -11.317 1.00 34.50 C ATOM 1629 CD2 TYR A 174 -30.279 1.362 -13.564 1.00 22.34 C ATOM 1630 CE1 TYR A 174 -31.813 0.534 -11.436 1.00 38.12 C ATOM 1631 CE2 TYR A 174 -31.648 1.297 -13.692 1.00 24.96 C ATOM 1632 CZ TYR A 174 -32.408 0.880 -12.624 1.00 32.16 C ATOM 1633 OH TYR A 174 -33.775 0.806 -12.734 1.00 37.90 O ATOM 1634 HH TYR A 174 -34.157 0.490 -11.877 1.00 0.00 H ATOM 1635 H TYR A 174 -25.455 -0.054 -12.823 1.00 0.00 H ATOM 1636 N GLN A 175 -28.525 -2.105 -13.449 1.00 17.65 N ATOM 1637 CA GLN A 175 -28.825 -2.923 -14.625 1.00 15.47 C ATOM 1638 C GLN A 175 -27.555 -3.216 -15.416 1.00 13.89 C ATOM 1639 O GLN A 175 -27.462 -2.959 -16.617 1.00 18.03 O ATOM 1640 CB GLN A 175 -29.877 -2.254 -15.498 1.00 19.54 C ATOM 1641 CG GLN A 175 -31.217 -2.142 -14.786 1.00 20.51 C ATOM 1642 CD GLN A 175 -32.278 -1.504 -15.648 1.00 30.26 C ATOM 1643 OE1 GLN A 175 -31.994 -1.028 -16.745 1.00 38.97 O ATOM 1644 NE2 GLN A 175 -33.513 -1.497 -15.159 1.00 43.97 N ATOM 1645 HE22 GLN A 175 -33.705 -1.912 -14.225 1.00 0.00 H ATOM 1646 HE21 GLN A 175 -34.288 -1.076 -15.710 1.00 0.00 H ATOM 1647 H GLN A 175 -28.927 -2.382 -12.531 1.00 0.00 H ATOM 1648 N SER A 176 -26.573 -3.773 -14.712 1.00 16.83 N ATOM 1649 CA SER A 176 -25.210 -3.888 -15.192 1.00 11.22 C ATOM 1650 C SER A 176 -24.700 -5.314 -14.987 1.00 14.20 C ATOM 1651 O SER A 176 -25.310 -6.136 -14.299 1.00 14.70 O ATOM 1652 CB SER A 176 -24.314 -2.859 -14.469 1.00 15.73 C ATOM 1653 OG SER A 176 -22.937 -3.007 -14.774 1.00 16.62 O ATOM 1654 HG SER A 176 -22.802 -2.891 -15.748 1.00 0.00 H ATOM 1655 H SER A 176 -26.795 -4.146 -13.767 1.00 0.00 H ATOM 1656 N SER A 177 -23.576 -5.606 -15.636 1.00 12.93 N ATOM 1657 CA SER A 177 -22.840 -6.846 -15.441 1.00 12.72 C ATOM 1658 C SER A 177 -21.368 -6.491 -15.520 1.00 12.89 C ATOM 1659 O SER A 177 -21.006 -5.450 -16.066 1.00 16.97 O ATOM 1660 CB SER A 177 -23.184 -7.907 -16.496 1.00 14.69 C ATOM 1661 OG SER A 177 -24.570 -8.202 -16.504 1.00 15.10 O ATOM 1662 HG SER A 177 -25.080 -7.379 -16.709 1.00 0.00 H ATOM 1663 H SER A 177 -23.205 -4.913 -16.317 1.00 0.00 H ATOM 1664 N GLY A 178 -20.516 -7.333 -14.956 1.00 16.39 N ATOM 1665 CA GLY A 178 -19.094 -7.114 -15.106 1.00 12.94 C ATOM 1666 C GLY A 178 -18.259 -7.758 -14.021 1.00 13.00 C ATOM 1667 O GLY A 178 -18.720 -8.602 -13.259 1.00 14.03 O ATOM 1668 H GLY A 178 -20.866 -8.145 -14.409 1.00 0.00 H ATOM 1669 N SER A 179 -16.998 -7.329 -13.987 1.00 11.24 N ATOM 1670 CA SER A 179 -16.034 -7.846 -13.031 1.00 10.62 C ATOM 1671 C SER A 179 -15.074 -6.726 -12.647 1.00 9.87 C ATOM 1672 O SER A 179 -14.694 -5.902 -13.491 1.00 10.11 O ATOM 1673 CB SER A 179 -15.269 -9.037 -13.615 1.00 14.11 C ATOM 1674 OG SER A 179 -14.661 -9.796 -12.592 1.00 14.26 O ATOM 1675 HG SER A 179 -15.358 -10.136 -11.976 1.00 0.00 H ATOM 1676 H SER A 179 -16.695 -6.602 -14.666 1.00 0.00 H ATOM 1677 N SER A 180 -14.709 -6.675 -11.367 1.00 10.29 N ATOM 1678 CA SER A 180 -13.772 -5.656 -10.909 1.00 9.42 C ATOM 1679 C SER A 180 -12.945 -6.171 -9.744 1.00 14.20 C ATOM 1680 O SER A 180 -13.354 -7.067 -9.004 1.00 12.19 O ATOM 1681 CB SER A 180 -14.494 -4.363 -10.488 1.00 10.87 C ATOM 1682 OG SER A 180 -15.079 -4.498 -9.213 1.00 11.78 O ATOM 1683 HG SER A 180 -15.535 -3.654 -8.969 1.00 0.00 H ATOM 1684 H SER A 180 -15.094 -7.365 -10.691 1.00 0.00 H ATOM 1685 N ASN A 181 -11.764 -5.584 -9.594 1.00 10.35 N ATOM 1686 CA ASN A 181 -10.898 -5.884 -8.475 1.00 11.36 C ATOM 1687 C ASN A 181 -10.116 -4.617 -8.192 1.00 10.29 C ATOM 1688 O ASN A 181 -9.460 -4.083 -9.092 1.00 13.49 O ATOM 1689 CB ASN A 181 -9.971 -7.047 -8.792 1.00 11.56 C ATOM 1690 CG ASN A 181 -9.415 -7.677 -7.555 1.00 18.53 C ATOM 1691 OD1 ASN A 181 -9.828 -8.770 -7.158 1.00 19.24 O ATOM 1692 ND2 ASN A 181 -8.474 -6.990 -6.923 1.00 13.71 N ATOM 1693 HD22 ASN A 181 -8.160 -6.072 -7.298 1.00 0.00 H ATOM 1694 HD21 ASN A 181 -8.050 -7.369 -6.052 1.00 0.00 H ATOM 1695 H ASN A 181 -11.452 -4.888 -10.301 1.00 0.00 H ATOM 1696 N VAL A 182 -10.239 -4.100 -6.974 1.00 9.67 N ATOM 1697 CA VAL A 182 -9.716 -2.784 -6.642 1.00 9.61 C ATOM 1698 C VAL A 182 -9.067 -2.826 -5.267 1.00 9.88 C ATOM 1699 O VAL A 182 -9.597 -3.436 -4.334 1.00 9.83 O ATOM 1700 CB VAL A 182 -10.831 -1.712 -6.661 1.00 9.08 C ATOM 1701 CG1 VAL A 182 -10.251 -0.334 -6.342 1.00 9.40 C ATOM 1702 CG2 VAL A 182 -11.536 -1.688 -7.998 1.00 9.12 C ATOM 1703 H VAL A 182 -10.723 -4.652 -6.237 1.00 0.00 H ATOM 1704 N THR A 183 -7.934 -2.153 -5.139 1.00 10.26 N ATOM 1705 CA THR A 183 -7.273 -1.958 -3.860 1.00 10.60 C ATOM 1706 C THR A 183 -7.267 -0.472 -3.536 1.00 10.49 C ATOM 1707 O THR A 183 -7.039 0.364 -4.413 1.00 10.47 O ATOM 1708 CB THR A 183 -5.848 -2.521 -3.870 1.00 13.48 C ATOM 1709 OG1 THR A 183 -5.907 -3.912 -4.222 1.00 11.96 O ATOM 1710 CG2 THR A 183 -5.219 -2.392 -2.497 1.00 13.39 C ATOM 1711 HG1 THR A 183 -6.314 -4.007 -5.120 1.00 0.00 H ATOM 1712 H THR A 183 -7.498 -1.746 -5.991 1.00 0.00 H ATOM 1713 N VAL A 184 -7.531 -0.155 -2.273 1.00 10.50 N ATOM 1714 CA VAL A 184 -7.829 1.202 -1.831 1.00 10.52 C ATOM 1715 C VAL A 184 -6.997 1.490 -0.600 1.00 10.97 C ATOM 1716 O VAL A 184 -6.976 0.682 0.330 1.00 12.99 O ATOM 1717 CB VAL A 184 -9.318 1.378 -1.483 1.00 10.96 C ATOM 1718 CG1 VAL A 184 -9.640 2.863 -1.224 1.00 13.04 C ATOM 1719 CG2 VAL A 184 -10.204 0.757 -2.557 1.00 11.76 C ATOM 1720 H VAL A 184 -7.525 -0.915 -1.563 1.00 0.00 H ATOM 1721 N TRP A 185 -6.337 2.645 -0.577 1.00 11.39 N ATOM 1722 CA TRP A 185 -5.585 3.047 0.597 1.00 14.92 C ATOM 1723 C TRP A 185 -5.444 4.561 0.686 1.00 15.09 C ATOM 1724 O TRP A 185 -5.902 5.283 -0.200 1.00 14.38 O ATOM 1725 CB TRP A 185 -4.205 2.392 0.584 1.00 12.71 C ATOM 1726 CG TRP A 185 -3.298 2.829 -0.530 1.00 16.64 C ATOM 1727 CD1 TRP A 185 -2.288 3.736 -0.434 1.00 16.25 C ATOM 1728 CD2 TRP A 185 -3.284 2.359 -1.895 1.00 13.51 C ATOM 1729 NE1 TRP A 185 -1.653 3.869 -1.637 1.00 17.46 N ATOM 1730 CE2 TRP A 185 -2.239 3.037 -2.552 1.00 16.55 C ATOM 1731 CE3 TRP A 185 -4.044 1.435 -2.619 1.00 12.22 C ATOM 1732 CZ2 TRP A 185 -1.938 2.830 -3.894 1.00 14.29 C ATOM 1733 CZ3 TRP A 185 -3.749 1.236 -3.961 1.00 12.96 C ATOM 1734 CH2 TRP A 185 -2.699 1.925 -4.581 1.00 12.88 C ATOM 1735 OXT TRP A 185 -4.856 5.079 1.644 1.00 16.98 O ATOM 1736 HE1 TRP A 185 -0.851 4.503 -1.827 1.00 0.00 H ATOM 1737 H TRP A 185 -6.360 3.267 -1.410 1.00 0.00 H TER 1738 TRP A 185 HETATM 1739 K K A 1 -10.927 -9.515 4.340 1.00 16.52 K HETATM 1740 K K A 2 -17.996 20.164 -20.184 1.00 18.28 K HETATM 1741 O HOH 3 -25.083 25.535 -7.068 1.00 31.44 O HETATM 1742 O HOH 4 -32.601 12.284 -10.149 1.00 48.23 O HETATM 1743 O HOH 5 -10.439 13.524 -21.814 1.00 40.89 O HETATM 1744 O HOH 6 -9.374 -9.994 -4.528 1.00 22.90 O HETATM 1745 O HOH 7 -11.058 -2.569 -19.009 1.00 47.08 O HETATM 1746 O HOH 8 -2.353 12.981 -8.485 1.00 36.16 O HETATM 1747 O HOH 9 0.135 -1.757 -13.560 1.00 36.64 O HETATM 1748 O HOH 10 -33.140 14.569 2.960 1.00 31.03 O HETATM 1749 O HOH 11 -26.832 8.063 -4.044 1.00 25.89 O HETATM 1750 O HOH 12 -9.549 3.423 11.021 1.00 27.90 O HETATM 1751 O HOH 13 -11.527 22.752 -16.380 1.00 45.22 O HETATM 1752 O HOH 14 -5.495 -1.928 5.865 1.00 39.73 O HETATM 1753 O HOH 15 -5.619 7.925 1.633 1.00 23.57 O HETATM 1754 O HOH 16 -30.914 -11.792 -6.398 1.00 41.99 O HETATM 1755 O HOH 17 -25.923 -4.054 2.649 1.00 18.47 O HETATM 1756 O HOH 18 -7.456 2.114 9.603 1.00 26.23 O HETATM 1757 O HOH 19 -7.600 16.920 -18.647 1.00 29.42 O HETATM 1758 O HOH 20 -28.917 8.796 -19.343 1.00 15.69 O HETATM 1759 O HOH 21 -4.692 14.518 1.440 1.00 38.18 O HETATM 1760 O HOH 22 -21.662 27.280 -13.180 1.00 33.51 O HETATM 1761 O HOH 23 -32.134 18.341 -4.466 1.00 35.31 O HETATM 1762 O HOH 24 -9.715 -2.249 5.155 1.00 16.15 O HETATM 1763 O HOH 25 -16.619 10.795 -22.704 1.00 48.42 O HETATM 1764 O HOH 26 -18.827 19.757 4.871 1.00 20.27 O HETATM 1765 O HOH 27 -27.761 25.821 -11.394 1.00 35.66 O HETATM 1766 O HOH 28 -23.382 12.816 -21.545 1.00 11.29 O HETATM 1767 O HOH 29 -11.192 2.938 -17.923 1.00 12.86 O HETATM 1768 O HOH 30 0.586 5.067 -11.249 1.00 26.38 O HETATM 1769 O HOH 31 -11.135 21.074 1.101 1.00 25.17 O HETATM 1770 O HOH 32 -10.873 15.819 -20.809 1.00 23.64 O HETATM 1771 O HOH 33 -10.647 22.680 -7.287 1.00 20.22 O HETATM 1772 O HOH 34 -31.508 19.318 -11.366 1.00 35.57 O HETATM 1773 O HOH 35 -9.689 13.168 -9.224 1.00 13.05 O HETATM 1774 O HOH 36 -3.495 0.096 3.785 1.00 51.26 O HETATM 1775 O HOH 37 -19.803 14.017 -18.669 1.00 15.64 O HETATM 1776 O HOH 38 -3.479 12.558 -17.534 1.00 36.10 O HETATM 1777 O HOH 39 -7.525 21.069 -3.312 1.00 16.11 O HETATM 1778 O HOH 40 -16.274 -11.638 -6.879 1.00 29.97 O HETATM 1779 O HOH 41 -7.660 -0.377 9.170 1.00 35.91 O HETATM 1780 O HOH 42 -19.597 1.980 -24.001 1.00 25.85 O HETATM 1781 O HOH 43 -28.565 -5.259 -7.683 1.00 23.91 O HETATM 1782 O HOH 44 -4.288 3.400 -14.029 1.00 17.13 O HETATM 1783 O HOH 45 -21.126 -1.166 -21.620 1.00 19.74 O HETATM 1784 O HOH 46 -5.418 -3.630 -6.927 1.00 17.56 O HETATM 1785 O HOH 47 -29.460 15.314 7.310 1.00 39.79 O HETATM 1786 O HOH 48 -2.645 14.908 -4.624 1.00 21.46 O HETATM 1787 O HOH 49 -17.342 16.321 -21.583 1.00 13.38 O HETATM 1788 O HOH 50 -6.671 -5.591 -8.349 1.00 17.33 O HETATM 1789 O HOH 51 -2.863 15.397 -2.007 1.00 20.50 O HETATM 1790 O HOH 52 -31.087 18.245 -9.185 1.00 32.16 O HETATM 1791 O HOH 53 -20.089 5.163 8.009 1.00 25.69 O HETATM 1792 O HOH 54 -20.716 8.730 -21.562 1.00 24.17 O HETATM 1793 O HOH 55 -20.822 27.863 -2.035 1.00 37.17 O HETATM 1794 O HOH 56 -2.789 5.549 -12.839 1.00 20.16 O HETATM 1795 O HOH 57 -38.687 10.872 -0.573 1.00 29.40 O HETATM 1796 O HOH 58 -22.444 1.504 8.467 1.00 29.03 O HETATM 1797 O HOH 59 -6.216 0.360 2.923 1.00 24.21 O HETATM 1798 O HOH 60 -36.001 9.954 -7.733 1.00 27.95 O HETATM 1799 O HOH 61 -10.031 0.449 -17.889 1.00 16.43 O HETATM 1800 O HOH 62 -27.129 -0.407 -17.533 1.00 19.57 O HETATM 1801 O HOH 63 -8.220 11.737 -13.279 1.00 15.76 O HETATM 1802 O HOH 64 -18.505 21.127 -1.741 1.00 12.31 O HETATM 1803 O HOH 65 -11.792 19.505 -21.782 1.00 30.29 O HETATM 1804 O HOH 66 -22.644 25.232 -16.479 1.00 14.21 O HETATM 1805 O HOH 67 -20.469 22.900 3.514 1.00 37.25 O HETATM 1806 O HOH 68 -15.099 24.504 -11.204 1.00 22.91 O HETATM 1807 O HOH 69 -16.904 -8.214 -17.654 1.00 19.05 O HETATM 1808 O HOH 70 -18.409 10.897 3.154 1.00 11.11 O HETATM 1809 O HOH 71 -7.275 -2.542 -15.002 1.00 8.63 O HETATM 1810 O HOH 72 -12.789 6.227 9.144 1.00 14.11 O HETATM 1811 O HOH 73 -4.369 8.103 -13.629 1.00 33.89 O HETATM 1812 O HOH 74 -5.372 10.747 -14.914 1.00 20.95 O HETATM 1813 O HOH 75 -5.863 17.887 -0.249 1.00 26.29 O HETATM 1814 O HOH 76 -13.739 12.506 -23.916 1.00 36.98 O HETATM 1815 O HOH 77 -30.192 17.212 -12.726 1.00 15.15 O HETATM 1816 O HOH 78 -17.825 24.555 -18.542 1.00 15.18 O HETATM 1817 O HOH 79 -14.093 26.773 -3.433 1.00 25.97 O HETATM 1818 O HOH 80 -22.744 5.409 -2.260 1.00 13.44 O HETATM 1819 O HOH 81 1.128 1.460 -10.316 1.00 25.57 O HETATM 1820 O HOH 82 -7.075 14.275 -18.913 1.00 35.96 O HETATM 1821 O HOH 83 -15.664 14.515 8.333 1.00 30.46 O HETATM 1822 O HOH 84 -18.325 14.492 10.103 1.00 34.34 O HETATM 1823 O HOH 85 -6.152 2.008 -11.502 1.00 10.12 O HETATM 1824 O HOH 86 -27.311 -13.153 -13.671 1.00 32.21 O HETATM 1825 O HOH 87 -26.004 21.836 1.174 1.00 32.59 O HETATM 1826 O HOH 88 -23.408 10.962 8.838 1.00 40.69 O HETATM 1827 O HOH 89 -19.027 24.114 1.732 1.00 27.64 O HETATM 1828 O HOH 90 -18.043 12.036 -19.066 1.00 17.30 O HETATM 1829 O HOH 91 -21.466 28.711 -10.911 1.00 44.05 O HETATM 1830 O HOH 92 -30.078 17.315 -0.069 1.00 19.92 O HETATM 1831 O HOH 93 -30.553 14.063 -14.530 1.00 21.50 O HETATM 1832 O HOH 94 -0.974 -1.117 -6.086 1.00 24.90 O HETATM 1833 O HOH 95 -30.583 5.446 -4.351 1.00 36.25 O HETATM 1834 O HOH 96 -9.889 23.060 -12.097 1.00 23.58 O HETATM 1835 O HOH 97 -8.793 21.735 -9.039 1.00 27.32 O HETATM 1836 O HOH 98 -26.317 2.555 -19.711 1.00 14.76 O HETATM 1837 O HOH 99 -3.841 1.263 -18.311 1.00 25.59 O HETATM 1838 O HOH 100 -19.167 8.401 9.809 1.00 26.14 O HETATM 1839 O HOH 101 -7.495 4.028 -12.359 1.00 13.10 O HETATM 1840 O HOH 102 -11.259 15.614 8.382 1.00 32.74 O HETATM 1841 O HOH 103 -29.854 7.183 -6.539 1.00 32.55 O HETATM 1842 O HOH 104 -18.667 21.599 0.848 1.00 14.12 O HETATM 1843 O HOH 105 -28.121 -8.698 -5.871 1.00 36.37 O HETATM 1844 O HOH 106 -7.847 15.930 -0.880 1.00 16.73 O HETATM 1845 O HOH 107 -21.324 -11.095 -1.968 1.00 23.63 O HETATM 1846 O HOH 108 -13.382 7.609 -22.655 1.00 23.50 O HETATM 1847 O HOH 109 -2.722 9.975 -10.039 1.00 27.43 O HETATM 1848 O HOH 110 -22.805 8.164 -2.804 1.00 11.22 O HETATM 1849 O HOH 111 -14.296 6.763 11.744 1.00 40.14 O HETATM 1850 O HOH 112 -4.502 -2.472 -16.900 1.00 15.45 O HETATM 1851 O HOH 113 -25.893 -11.739 -5.227 1.00 21.28 O HETATM 1852 O HOH 114 -35.670 12.222 3.212 1.00 40.23 O HETATM 1853 O HOH 115 -4.429 -2.599 1.338 1.00 26.31 O HETATM 1854 O HOH 116 -5.791 17.924 2.035 1.00 44.67 O HETATM 1855 O HOH 117 -15.551 24.824 -17.554 1.00 24.17 O HETATM 1856 O HOH 118 -8.324 8.472 -21.330 1.00 33.71 O HETATM 1857 O HOH 119 -30.408 -5.745 -15.252 1.00 30.61 O HETATM 1858 O HOH 120 -7.214 -10.009 -1.082 1.00 20.12 O HETATM 1859 O HOH 121 -27.942 -4.962 0.580 1.00 24.80 O HETATM 1860 O HOH 122 -4.401 17.041 -8.737 1.00 33.66 O HETATM 1861 O HOH 123 -5.052 11.802 2.771 1.00 19.25 O HETATM 1862 O HOH 124 -16.079 25.488 -14.798 1.00 22.49 O HETATM 1863 O HOH 125 -6.400 8.282 4.304 1.00 32.11 O HETATM 1864 O HOH 126 -34.305 -2.786 -9.241 1.00 64.53 O HETATM 1865 O HOH 127 -11.650 10.183 8.743 1.00 53.73 O HETATM 1866 O HOH 128 -1.654 6.227 -5.757 1.00 27.86 O HETATM 1867 O HOH 129 -17.474 -8.259 -20.295 1.00 39.48 O HETATM 1868 O HOH 130 -24.350 -10.936 -17.718 1.00 33.00 O HETATM 1869 O HOH 131 -32.851 8.265 -13.905 1.00 37.86 O HETATM 1870 O HOH 132 -30.755 4.059 -8.276 1.00 34.71 O HETATM 1871 O HOH 133 -26.078 -6.150 -18.104 1.00 33.98 O HETATM 1872 O HOH 134 -25.465 23.606 -1.224 1.00 23.56 O HETATM 1873 O HOH 135 -4.241 -5.629 0.008 1.00 28.20 O HETATM 1874 O HOH 136 -30.569 2.396 -4.748 1.00 24.39 O HETATM 1875 O HOH 137 -32.270 15.165 -11.052 1.00 23.30 O HETATM 1876 O HOH 138 2.320 5.276 -6.628 1.00 62.65 O HETATM 1877 O HOH 139 -25.927 -4.194 -18.924 1.00 28.74 O HETATM 1878 O HOH 140 -26.618 5.071 -20.661 1.00 16.96 O HETATM 1879 O HOH 141 -16.955 -11.208 1.231 1.00 23.54 O HETATM 1880 O HOH 142 -20.695 5.805 -22.141 1.00 21.24 O HETATM 1881 O HOH 143 -31.446 16.788 4.028 1.00 24.38 O HETATM 1882 O HOH 144 -0.671 11.773 -7.005 1.00 42.17 O HETATM 1883 O HOH 145 -3.937 19.107 -6.327 1.00 25.67 O HETATM 1884 O HOH 146 -25.537 4.782 -25.125 1.00 38.23 O HETATM 1885 O HOH 147 -13.070 -13.334 -8.980 1.00 25.77 O HETATM 1886 O HOH 148 -11.592 -12.514 -7.523 1.00 27.03 O HETATM 1887 O HOH 149 -2.359 -0.854 -16.922 1.00 50.50 O HETATM 1888 O HOH 150 -5.797 17.774 -15.026 1.00 23.39 O HETATM 1889 O HOH 151 -15.374 21.104 -21.008 1.00 16.25 O HETATM 1890 O HOH 152 -7.377 10.049 -20.366 1.00 35.45 O HETATM 1891 O HOH 153 -3.061 9.645 -12.847 1.00 39.20 O HETATM 1892 O HOH 154 -15.443 -4.075 -20.274 1.00 49.67 O HETATM 1893 O HOH 155 -14.706 0.606 -20.042 1.00 39.59 O HETATM 1894 O HOH 156 -18.325 -9.907 3.023 1.00 21.17 O HETATM 1895 O HOH 157 -9.993 13.808 -18.767 1.00 15.30 O HETATM 1896 O HOH 158 -4.130 -6.451 -3.601 1.00 34.78 O HETATM 1897 O HOH 159 -7.110 0.862 -18.905 1.00 22.28 O HETATM 1898 O HOH 160 -5.270 10.245 -18.998 1.00 31.63 O HETATM 1899 O HOH 161 -28.079 4.847 9.575 1.00 39.33 O HETATM 1900 O HOH 162 -4.330 17.807 -12.661 1.00 34.60 O HETATM 1901 O HOH 163 -25.400 27.859 -2.727 1.00 44.18 O HETATM 1902 O HOH 164 -23.179 -7.928 -20.855 1.00 47.23 O HETATM 1903 O HOH 165 -40.698 9.925 1.187 1.00 41.20 O HETATM 1904 O HOH 166 -34.070 -5.505 -7.953 1.00 50.55 O HETATM 1905 O HOH 167 -8.340 12.877 -22.874 1.00 51.82 O HETATM 1906 O HOH 168 -29.643 13.333 8.183 1.00 51.67 O HETATM 1907 O HOH 169 -21.857 -13.339 -11.965 1.00 39.14 O HETATM 1908 O HOH 170 -6.736 -1.552 -18.353 1.00 23.47 O HETATM 1909 O HOH 171 -2.613 2.710 -16.315 1.00 31.66 O HETATM 1910 O HOH 172 -10.831 8.169 9.437 1.00 43.33 O HETATM 1911 O HOH 173 -26.502 24.201 -6.160 1.00 49.62 O HETATM 1912 O HOH 174 -18.525 4.429 -23.734 1.00 39.42 O HETATM 1913 O HOH 175 -26.246 5.224 -23.370 1.00 45.50 O HETATM 1914 O HOH 176 -12.810 22.240 1.959 1.00 44.56 O HETATM 1915 O HOH 177 -24.339 5.402 8.251 1.00 37.54 O HETATM 1916 O HOH 178 -9.011 23.795 -5.357 1.00 33.14 O HETATM 1917 O HOH 179 -2.757 16.968 -6.669 1.00 40.85 O HETATM 1918 O HOH 180 -27.398 4.400 -27.589 1.00 37.26 O HETATM 1919 O HOH 181 -22.448 5.493 6.858 1.00 25.33 O HETATM 1920 O HOH 182 -3.415 9.817 2.488 1.00 35.72 O HETATM 1921 O HOH 183 -10.483 -13.063 0.742 1.00 30.68 O HETATM 1922 O HOH 184 -22.125 11.067 -21.961 1.00 36.37 O HETATM 1923 O HOH 185 -15.048 16.215 -23.276 1.00 32.36 O HETATM 1924 O HOH 186 -8.516 -12.316 1.126 1.00 28.18 O HETATM 1925 O HOH 187 -9.509 3.771 -20.783 1.00 31.99 O HETATM 1926 O HOH 188 -21.460 8.094 9.877 1.00 37.46 O HETATM 1927 O HOH 189 -12.002 25.298 -7.549 1.00 25.47 O HETATM 1928 O HOH 190 -12.474 -4.513 -20.495 1.00 44.12 O HETATM 1929 O HOH 191 -2.849 -2.967 -6.189 1.00 25.01 O HETATM 1930 O HOH 192 -4.539 20.005 -10.944 1.00 41.82 O HETATM 1931 O HOH 193 -33.650 10.565 -14.038 1.00 30.83 O HETATM 1932 O HOH 194 -29.095 -10.785 -3.718 1.00 45.07 O HETATM 1933 O HOH 195 -8.419 17.357 -21.350 1.00 41.47 O HETATM 1934 O HOH 196 -29.855 6.211 -22.727 1.00 22.17 O HETATM 1935 O HOH 197 -20.023 26.053 -17.180 1.00 22.76 O HETATM 1936 O HOH 198 -23.266 6.793 -23.799 1.00 43.55 O HETATM 1937 O HOH 199 -22.454 5.735 -25.673 1.00 57.02 O HETATM 1938 O HOH 200 -24.752 -0.624 7.045 1.00 30.98 O HETATM 1939 O HOH 201 -19.139 10.864 -21.412 1.00 39.60 O HETATM 1940 O HOH 202 -12.410 7.655 12.215 1.00 38.84 O HETATM 1941 O HOH 203 -3.608 17.846 -1.574 1.00 36.74 O HETATM 1942 O HOH 204 -15.441 13.827 -25.182 1.00 39.01 O HETATM 1943 O HOH 205 -22.368 24.975 3.805 1.00 43.23 O HETATM 1944 O HOH 206 -11.902 22.097 -20.231 1.00 39.23 O HETATM 1945 O HOH 207 -4.298 -7.954 -1.788 1.00 40.47 O HETATM 1946 O HOH 208 -26.361 0.135 -21.071 1.00 30.29 O HETATM 1947 O HOH 209 -0.987 12.821 -4.419 1.00 36.74 O HETATM 1948 O HOH 210 -33.900 19.016 -12.673 1.00 38.44 O HETATM 1949 O HOH 211 -29.119 6.052 -20.057 1.00 15.22 O HETATM 1950 O HOH 212 -28.318 1.995 -18.408 1.00 43.08 O HETATM 1951 O HOH 213 -17.219 20.309 2.761 1.00 17.90 O HETATM 1952 O HOH 214 -0.591 6.365 -14.681 1.00 40.47 O HETATM 1953 O HOH 215 -32.104 12.815 -12.746 1.00 32.63 O HETATM 1954 O HOH 216 -27.155 3.845 11.528 1.00 47.20 O HETATM 1955 O HOH 217 -11.499 2.693 -21.455 1.00 46.13 O HETATM 1956 O HOH 218 -14.055 22.256 3.508 1.00 43.46 O HETATM 1957 O HOH 219 -26.266 2.530 9.998 1.00 52.03 O HETATM 1958 C10 UNN A 220 -30.236 7.803 -16.104 1.00 -0.03 C HETATM 1959 C11 UNN A 220 -29.370 8.228 -14.942 1.00 0.02 C HETATM 1960 C06 UNN A 220 -28.806 9.647 -15.195 1.00 0.08 C HETATM 1961 C07 UNN A 220 -29.997 10.586 -15.359 1.00 0.02 C HETATM 1962 C08 UNN A 220 -30.898 10.186 -16.504 1.00 -0.03 C HETATM 1963 N09 UNN A 220 -31.339 8.764 -16.454 1.00 0.24 N HETATM 1964 C12 UNN A 220 -31.930 8.433 -17.804 1.00 -0.02 C HETATM 1965 C13 UNN A 220 -32.566 7.047 -17.721 1.00 0.02 C HETATM 1966 C14 UNN A 220 -33.597 6.853 -18.775 1.00 -0.04 C HETATM 1967 C15 UNN A 220 -33.228 6.719 -20.114 1.00 -0.06 C HETATM 1968 C16 UNN A 220 -34.206 6.543 -21.088 1.00 -0.07 C HETATM 1969 C17 UNN A 220 -35.549 6.503 -20.730 1.00 -0.07 C HETATM 1970 C18 UNN A 220 -35.914 6.639 -19.397 1.00 -0.07 C HETATM 1971 C19 UNN A 220 -34.939 6.815 -18.421 1.00 -0.06 C HETATM 1972 H26 UNN A 220 -35.227 6.923 -17.382 1.00 0.06 H HETATM 1973 H25 UNN A 220 -36.961 6.608 -19.117 1.00 0.06 H HETATM 1974 H6 UNN A 220 -36.310 6.366 -21.490 1.00 0.06 H HETATM 1975 H24 UNN A 220 -33.920 6.437 -22.128 1.00 0.06 H HETATM 1976 H5 UNN A 220 -32.181 6.752 -20.395 1.00 0.06 H HETATM 1977 H3 UNN A 220 -33.038 6.929 -16.734 1.00 0.05 H HETATM 1978 H4 UNN A 220 -31.781 6.286 -17.845 1.00 0.05 H HETATM 1979 H22 UNN A 220 -32.695 9.178 -18.068 1.00 0.08 H HETATM 1980 H23 UNN A 220 -31.138 8.434 -18.567 1.00 0.08 H HETATM 1981 H29 UNN A 220 -32.056 8.677 -15.751 1.00 0.20 H HETATM 1982 H18 UNN A 220 -30.354 10.347 -17.446 1.00 0.08 H HETATM 1983 H19 UNN A 220 -31.792 10.827 -16.482 1.00 0.08 H HETATM 1984 H16 UNN A 220 -29.621 11.603 -15.545 1.00 0.03 H HETATM 1985 H17 UNN A 220 -30.584 10.576 -14.429 1.00 0.03 H HETATM 1986 N05 UNN A 220 -27.879 10.097 -14.114 1.00 -0.22 N HETATM 1987 C20 UNN A 220 -28.194 9.681 -12.773 1.00 0.07 C HETATM 1988 C21 UNN A 220 -27.604 8.549 -12.200 1.00 -0.04 C HETATM 1989 C22 UNN A 220 -27.942 8.167 -10.891 1.00 -0.08 C HETATM 1990 C23 UNN A 220 -28.849 8.900 -10.138 1.00 -0.08 C HETATM 1991 C24 UNN A 220 -29.425 10.023 -10.710 1.00 -0.08 C HETATM 1992 C25 UNN A 220 -29.104 10.400 -12.010 1.00 -0.04 C HETATM 1993 H28 UNN A 220 -29.576 11.277 -12.438 1.00 0.05 H HETATM 1994 H9 UNN A 220 -30.133 10.613 -10.139 1.00 0.06 H HETATM 1995 H27 UNN A 220 -29.101 8.601 -9.127 1.00 0.05 H HETATM 1996 H8 UNN A 220 -27.486 7.283 -10.461 1.00 0.06 H HETATM 1997 H7 UNN A 220 -26.886 7.967 -12.766 1.00 0.05 H HETATM 1998 C02 UNN A 220 -26.767 10.903 -14.382 1.00 0.21 C HETATM 1999 C03 UNN A 220 -25.854 11.368 -13.276 1.00 0.04 C HETATM 2000 C04 UNN A 220 -25.211 12.697 -13.649 1.00 -0.05 C HETATM 2001 H12 UNN A 220 -24.548 13.025 -12.835 1.00 0.03 H HETATM 2002 H13 UNN A 220 -25.995 13.451 -13.810 1.00 0.03 H HETATM 2003 H14 UNN A 220 -24.625 12.575 -14.572 1.00 0.03 H HETATM 2004 H10 UNN A 220 -25.067 10.617 -13.114 1.00 0.05 H HETATM 2005 H11 UNN A 220 -26.437 11.493 -12.352 1.00 0.05 H HETATM 2006 O01 UNN A 220 -26.486 11.257 -15.521 1.00 -0.38 O HETATM 2007 H15 UNN A 220 -28.237 9.634 -16.136 1.00 0.06 H HETATM 2008 H20 UNN A 220 -28.536 7.519 -14.830 1.00 0.03 H HETATM 2009 H21 UNN A 220 -29.972 8.234 -14.022 1.00 0.03 H HETATM 2010 H1 UNN A 220 -30.693 6.834 -15.854 1.00 0.08 H HETATM 2011 H2 UNN A 220 -29.591 7.687 -16.987 1.00 0.08 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 876 875 877 1740 CONECT 977 976 1740 CONECT 1740 876 977 CONECT 1958 1959 1963 2010 2011 CONECT 1959 1958 1960 2008 2009 CONECT 1960 1959 1961 1986 2007 CONECT 1961 1960 1962 1984 1985 CONECT 1962 1961 1963 1982 1983 CONECT 1963 1958 1962 1964 1981 CONECT 1964 1963 1965 1979 1980 CONECT 1965 1964 1966 1977 1978 CONECT 1966 1965 1967 1971 CONECT 1967 1966 1968 1976 CONECT 1968 1967 1969 1975 CONECT 1969 1968 1970 1974 CONECT 1970 1969 1971 1973 CONECT 1971 1966 1970 1972 CONECT 1972 1971 CONECT 1973 1970 CONECT 1974 1969 CONECT 1975 1968 CONECT 1976 1967 CONECT 1977 1965 CONECT 1978 1965 CONECT 1979 1964 CONECT 1980 1964 CONECT 1981 1963 CONECT 1982 1962 CONECT 1983 1962 CONECT 1984 1961 CONECT 1985 1961 CONECT 1986 1960 1987 1998 CONECT 1987 1986 1988 1992 CONECT 1988 1987 1989 1997 CONECT 1989 1988 1990 1996 CONECT 1990 1989 1991 1995 CONECT 1991 1990 1992 1994 CONECT 1992 1987 1991 1993 CONECT 1993 1992 CONECT 1994 1991 CONECT 1995 1990 CONECT 1996 1989 CONECT 1997 1988 CONECT 1998 1986 1999 2006 CONECT 1999 1998 2000 2004 2005 CONECT 2000 1999 2001 2002 2003 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 2000 CONECT 2004 1999 CONECT 2005 1999 CONECT 2006 1998 CONECT 2007 1960 CONECT 2008 1959 CONECT 2009 1959 CONECT 2010 1958 CONECT 2011 1958 MASTER 0 0 0 0 0 0 0 0 2010 1 61 15 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 5tzo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b42
RCSB PDB
PDBbind
185aa, >2B42_2|Chain... at 92%
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
5tzo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Endo-1,4-beta-xylanase A
Ligand Name
7V7
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
Kd=5.9uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Elife Vol. 6: e28909.001
Ligand Properties
Formula
C
2
2
H
2
9
N
2
O
Molecular Weight
337.478
Exact Mass
337.228
No. of atoms
54
No. of bonds
56
Polar Surface Area
24.75
LOGP Value
4.30 (
Computed with XLOGP3
)
4.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
CCC(=O)N(c1ccccc1)[C@@H]1CC[N@H+](CC1)CCc1ccccc1
InChI String
InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3/p+1
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):
P18429
Entrez Gene ID
NCBI Entrez Gene ID:
939861
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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