Browse entries in the PDBbind-CN Database
HEADER 5WZT_COMPLEX COMPND 5WZT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASN LEU VAL GLN PHE GLY VAL MET ILE GLU LYS MET THR SEQRES 2 A 123 GLY LYS SER ALA LEU GLN TYR ASN ASP TYR GLY CYS TYR SEQRES 3 A 123 CYS GLY ILE GLY GLY SER HIS TRP PRO VAL ASP GLN THR SEQRES 4 A 123 ASP TRP CYS CYS HIS ALA HIS ASP CYS CYS TYR GLY ARG SEQRES 5 A 123 LEU GLU LYS LEU GLY CYS GLU PRO LYS LEU GLU LYS TYR SEQRES 6 A 123 LEU PHE SER VAL SER GLU ARG GLY ILE PHE CYS ALA GLY SEQRES 7 A 123 ARG THR THR CYS GLN ARG LEU THR CYS GLU CYS ASP LYS SEQRES 8 A 123 ARG ALA ALA LEU CYS PHE ARG ARG ASN LEU GLY THR TYR SEQRES 9 A 123 ASN ARG LYS TYR ALA HIS TYR PRO ASN LYS LEU CYS THR SEQRES 10 A 123 GLY PRO THR PRO PRO CYS HET CA A 1 1 HET UNN A 175 44 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 58 CYS A 82 SSBOND 3 CYS A 76 CYS A 87 SSBOND 4 CYS A 49 CYS A 89 SSBOND 5 CYS A 42 CYS A 96 SSBOND 6 CYS A 25 CYS A 116 SSBOND 7 CYS A 48 CYS A 123 ATOM 1 N ASN A 1 -15.289 -11.735 -3.126 1.00 57.26 N ATOM 2 CA ASN A 1 -13.893 -11.345 -2.728 1.00 58.51 C ATOM 3 C ASN A 1 -12.928 -11.565 -3.896 1.00 57.59 C ATOM 4 O ASN A 1 -12.494 -12.698 -4.140 1.00 54.53 O ATOM 5 CB ASN A 1 -13.425 -12.160 -1.512 1.00 60.33 C ATOM 6 CG ASN A 1 -14.259 -11.903 -0.267 1.00 59.67 C ATOM 7 OD1 ASN A 1 -14.811 -10.817 -0.081 1.00 56.90 O ATOM 8 ND2 ASN A 1 -14.337 -12.905 0.606 1.00 60.11 N ATOM 9 HD22 ASN A 1 -13.855 -13.805 0.409 1.00 0.00 H ATOM 10 HD21 ASN A 1 -14.880 -12.788 1.485 1.00 0.00 H ATOM 11 HN3 ASN A 1 -15.304 -12.739 -3.395 1.00 0.00 H ATOM 12 HN2 ASN A 1 -15.593 -11.154 -3.933 1.00 0.00 H ATOM 13 HN1 ASN A 1 -15.933 -11.580 -2.324 1.00 0.00 H ATOM 14 N LEU A 2 -12.594 -10.476 -4.594 1.00 55.80 N ATOM 15 CA LEU A 2 -11.883 -10.524 -5.882 1.00 58.05 C ATOM 16 C LEU A 2 -10.386 -10.163 -5.834 1.00 55.66 C ATOM 17 O LEU A 2 -9.742 -10.076 -6.886 1.00 52.64 O ATOM 18 CB LEU A 2 -12.599 -9.596 -6.890 1.00 59.72 C ATOM 19 CG LEU A 2 -13.942 -10.072 -7.463 1.00 61.54 C ATOM 20 CD1 LEU A 2 -14.602 -8.955 -8.270 1.00 60.85 C ATOM 21 CD2 LEU A 2 -13.771 -11.327 -8.318 1.00 61.97 C ATOM 22 H LEU A 2 -12.850 -9.545 -4.207 1.00 0.00 H ATOM 23 N VAL A 3 -9.830 -9.968 -4.636 1.00 54.97 N ATOM 24 CA VAL A 3 -8.449 -9.461 -4.500 1.00 53.76 C ATOM 25 C VAL A 3 -7.384 -10.393 -5.127 1.00 48.12 C ATOM 26 O VAL A 3 -6.647 -9.964 -6.024 1.00 45.62 O ATOM 27 CB VAL A 3 -8.109 -9.057 -3.027 1.00 58.40 C ATOM 28 CG1 VAL A 3 -8.131 -10.248 -2.059 1.00 60.43 C ATOM 29 CG2 VAL A 3 -6.769 -8.322 -2.953 1.00 57.58 C ATOM 30 H VAL A 3 -10.381 -10.178 -3.779 1.00 0.00 H ATOM 31 N GLN A 4 -7.350 -11.662 -4.703 1.00 43.56 N ATOM 32 CA GLN A 4 -6.329 -12.633 -5.156 1.00 37.91 C ATOM 33 C GLN A 4 -6.389 -12.899 -6.670 1.00 32.43 C ATOM 34 O GLN A 4 -5.349 -13.012 -7.338 1.00 30.53 O ATOM 35 CB GLN A 4 -6.447 -13.952 -4.376 1.00 39.82 C ATOM 36 CG GLN A 4 -6.092 -13.856 -2.895 1.00 41.52 C ATOM 37 CD GLN A 4 -4.585 -13.943 -2.633 1.00 45.18 C ATOM 38 OE1 GLN A 4 -3.765 -13.293 -3.293 1.00 44.24 O ATOM 39 NE2 GLN A 4 -4.217 -14.754 -1.656 1.00 46.94 N ATOM 40 HE22 GLN A 4 -4.935 -15.285 -1.122 1.00 0.00 H ATOM 41 HE21 GLN A 4 -3.210 -14.861 -1.421 1.00 0.00 H ATOM 42 H GLN A 4 -8.072 -11.980 -4.026 1.00 0.00 H ATOM 43 N PHE A 5 -7.600 -12.969 -7.212 1.00 27.75 N ATOM 44 CA PHE A 5 -7.788 -13.164 -8.652 1.00 26.49 C ATOM 45 C PHE A 5 -7.262 -11.979 -9.476 1.00 25.38 C ATOM 46 O PHE A 5 -6.489 -12.157 -10.428 1.00 21.63 O ATOM 47 CB PHE A 5 -9.267 -13.409 -8.941 1.00 26.14 C ATOM 48 CG PHE A 5 -9.572 -13.809 -10.363 1.00 26.72 C ATOM 49 CD1 PHE A 5 -8.691 -14.597 -11.122 1.00 26.32 C ATOM 50 CD2 PHE A 5 -10.771 -13.417 -10.943 1.00 26.60 C ATOM 51 CE1 PHE A 5 -8.997 -14.946 -12.430 1.00 25.99 C ATOM 52 CE2 PHE A 5 -11.077 -13.771 -12.252 1.00 26.46 C ATOM 53 CZ PHE A 5 -10.197 -14.539 -12.992 1.00 25.80 C ATOM 54 H PHE A 5 -8.436 -12.883 -6.599 1.00 0.00 H ATOM 55 N GLY A 6 -7.677 -10.773 -9.072 1.00 25.48 N ATOM 56 CA GLY A 6 -7.192 -9.536 -9.650 1.00 24.86 C ATOM 57 C GLY A 6 -5.690 -9.451 -9.599 1.00 25.70 C ATOM 58 O GLY A 6 -5.061 -9.017 -10.581 1.00 25.31 O ATOM 59 H GLY A 6 -8.380 -10.721 -8.308 1.00 0.00 H ATOM 60 N VAL A 7 -5.092 -9.886 -8.483 1.00 24.88 N ATOM 61 CA VAL A 7 -3.626 -9.915 -8.411 1.00 26.02 C ATOM 62 C VAL A 7 -3.057 -10.905 -9.431 1.00 24.94 C ATOM 63 O VAL A 7 -2.119 -10.575 -10.160 1.00 25.83 O ATOM 64 CB VAL A 7 -3.090 -10.224 -6.988 1.00 28.09 C ATOM 65 CG1 VAL A 7 -1.565 -10.391 -6.993 1.00 27.94 C ATOM 66 CG2 VAL A 7 -3.474 -9.108 -6.015 1.00 29.39 C ATOM 67 H VAL A 7 -5.662 -10.201 -7.672 1.00 0.00 H ATOM 68 N MET A 8 -3.628 -12.106 -9.491 1.00 23.95 N ATOM 69 CA MET A 8 -3.155 -13.131 -10.430 1.00 23.46 C ATOM 70 C MET A 8 -3.288 -12.629 -11.870 1.00 23.82 C ATOM 71 O MET A 8 -2.368 -12.812 -12.683 1.00 23.23 O ATOM 72 CB MET A 8 -3.913 -14.438 -10.212 1.00 22.96 C ATOM 73 CG MET A 8 -3.476 -15.620 -11.058 1.00 22.75 C ATOM 74 SD MET A 8 -4.542 -17.062 -10.771 1.00 22.26 S ATOM 75 CE MET A 8 -4.079 -17.461 -9.093 1.00 22.47 C ATOM 76 H MET A 8 -4.426 -12.323 -8.860 1.00 0.00 H ATOM 77 N ILE A 9 -4.399 -11.956 -12.177 1.00 24.63 N ATOM 78 CA ILE A 9 -4.586 -11.390 -13.524 1.00 25.13 C ATOM 79 C ILE A 9 -3.481 -10.390 -13.873 1.00 26.12 C ATOM 80 O ILE A 9 -2.919 -10.453 -14.971 1.00 26.72 O ATOM 81 CB ILE A 9 -5.978 -10.765 -13.704 1.00 24.62 C ATOM 82 CG1 ILE A 9 -7.060 -11.853 -13.639 1.00 24.29 C ATOM 83 CG2 ILE A 9 -6.082 -10.053 -15.051 1.00 24.55 C ATOM 84 CD1 ILE A 9 -8.411 -11.338 -13.195 1.00 24.14 C ATOM 85 H ILE A 9 -5.140 -11.830 -11.458 1.00 0.00 H ATOM 86 N GLU A 10 -3.155 -9.492 -12.947 1.00 29.12 N ATOM 87 CA GLU A 10 -2.121 -8.470 -13.206 1.00 32.81 C ATOM 88 C GLU A 10 -0.753 -9.091 -13.451 1.00 33.18 C ATOM 89 O GLU A 10 -0.091 -8.761 -14.424 1.00 32.84 O ATOM 90 CB GLU A 10 -2.064 -7.408 -12.093 1.00 36.11 C ATOM 91 CG GLU A 10 -3.070 -6.287 -12.324 1.00 40.71 C ATOM 92 CD GLU A 10 -3.442 -5.473 -11.092 1.00 43.60 C ATOM 93 OE1 GLU A 10 -4.658 -5.410 -10.767 1.00 45.30 O ATOM 94 OE2 GLU A 10 -2.527 -4.883 -10.475 1.00 45.04 O ATOM 95 H GLU A 10 -3.636 -9.510 -12.025 1.00 0.00 H ATOM 96 N LYS A 11 -0.352 -10.010 -12.586 1.00 35.53 N ATOM 97 CA LYS A 11 0.921 -10.719 -12.764 1.00 36.92 C ATOM 98 C LYS A 11 1.011 -11.403 -14.124 1.00 34.59 C ATOM 99 O LYS A 11 2.016 -11.275 -14.809 1.00 36.45 O ATOM 100 CB LYS A 11 1.165 -11.728 -11.632 1.00 39.66 C ATOM 101 CG LYS A 11 1.882 -11.122 -10.432 1.00 43.63 C ATOM 102 CD LYS A 11 1.730 -11.957 -9.158 1.00 45.62 C ATOM 103 CE LYS A 11 2.943 -11.860 -8.235 1.00 46.83 C ATOM 104 NZ LYS A 11 3.395 -10.457 -8.019 1.00 48.75 N ATOM 105 HZ1 LYS A 11 3.656 -10.034 -8.932 1.00 0.00 H ATOM 106 HZ2 LYS A 11 2.624 -9.908 -7.589 1.00 0.00 H ATOM 107 HZ3 LYS A 11 4.220 -10.453 -7.386 1.00 0.00 H ATOM 108 H LYS A 11 -0.950 -10.234 -11.765 1.00 0.00 H ATOM 109 N MET A 12 -0.036 -12.107 -14.522 1.00 33.50 N ATOM 110 CA MET A 12 -0.008 -12.849 -15.783 1.00 34.10 C ATOM 111 C MET A 12 -0.192 -12.001 -17.036 1.00 32.83 C ATOM 112 O MET A 12 0.347 -12.362 -18.067 1.00 31.71 O ATOM 113 CB MET A 12 -1.049 -13.980 -15.777 1.00 34.93 C ATOM 114 CG MET A 12 -0.862 -15.016 -14.672 1.00 35.31 C ATOM 115 SD MET A 12 0.855 -15.463 -14.368 1.00 36.01 S ATOM 116 CE MET A 12 1.176 -16.543 -15.742 1.00 37.86 C ATOM 117 H MET A 12 -0.891 -12.133 -13.930 1.00 0.00 H ATOM 118 N THR A 13 -0.936 -10.898 -16.968 1.00 33.14 N ATOM 119 CA THR A 13 -1.253 -10.124 -18.185 1.00 35.27 C ATOM 120 C THR A 13 -0.492 -8.802 -18.370 1.00 37.00 C ATOM 121 O THR A 13 -0.385 -8.315 -19.495 1.00 41.23 O ATOM 122 CB THR A 13 -2.765 -9.818 -18.277 1.00 32.66 C ATOM 123 OG1 THR A 13 -3.151 -8.974 -17.189 1.00 33.15 O ATOM 124 CG2 THR A 13 -3.577 -11.097 -18.245 1.00 30.61 C ATOM 125 HG1 THR A 13 -2.959 -9.433 -16.333 1.00 0.00 H ATOM 126 H THR A 13 -1.298 -10.578 -16.047 1.00 0.00 H ATOM 127 N GLY A 14 0.019 -8.215 -17.292 1.00 37.88 N ATOM 128 CA GLY A 14 0.578 -6.852 -17.345 1.00 38.42 C ATOM 129 C GLY A 14 -0.487 -5.766 -17.503 1.00 40.01 C ATOM 130 O GLY A 14 -0.184 -4.661 -17.952 1.00 41.12 O ATOM 131 H GLY A 14 0.024 -8.730 -16.389 1.00 0.00 H ATOM 132 N LYS A 15 -1.734 -6.086 -17.143 1.00 38.82 N ATOM 133 CA LYS A 15 -2.867 -5.168 -17.233 1.00 36.96 C ATOM 134 C LYS A 15 -3.602 -5.192 -15.921 1.00 36.01 C ATOM 135 O LYS A 15 -3.707 -6.238 -15.293 1.00 38.47 O ATOM 136 CB LYS A 15 -3.887 -5.610 -18.294 1.00 37.27 C ATOM 137 CG LYS A 15 -3.383 -5.771 -19.716 1.00 37.63 C ATOM 138 CD LYS A 15 -4.576 -6.053 -20.625 1.00 38.43 C ATOM 139 CE LYS A 15 -4.171 -6.372 -22.051 1.00 38.43 C ATOM 140 NZ LYS A 15 -3.910 -5.124 -22.804 1.00 40.89 N ATOM 141 HZ1 LYS A 15 -4.772 -4.542 -22.818 1.00 0.00 H ATOM 142 HZ2 LYS A 15 -3.142 -4.596 -22.343 1.00 0.00 H ATOM 143 HZ3 LYS A 15 -3.634 -5.360 -23.779 1.00 0.00 H ATOM 144 H LYS A 15 -1.908 -7.044 -16.778 1.00 0.00 H ATOM 145 N SER A 16 -4.180 -4.064 -15.541 1.00 35.22 N ATOM 146 CA SER A 16 -5.065 -4.028 -14.396 1.00 34.69 C ATOM 147 C SER A 16 -6.229 -5.022 -14.573 1.00 34.48 C ATOM 148 O SER A 16 -6.779 -5.147 -15.654 1.00 31.67 O ATOM 149 CB SER A 16 -5.607 -2.610 -14.210 1.00 34.34 C ATOM 150 OG SER A 16 -6.532 -2.584 -13.141 1.00 35.81 O ATOM 151 HG SER A 16 -6.878 -1.663 -13.028 1.00 0.00 H ATOM 152 H SER A 16 -3.996 -3.190 -16.073 1.00 0.00 H ATOM 153 N ALA A 17 -6.611 -5.707 -13.503 1.00 36.51 N ATOM 154 CA ALA A 17 -7.805 -6.556 -13.522 1.00 39.07 C ATOM 155 C ALA A 17 -9.070 -5.839 -14.013 1.00 42.08 C ATOM 156 O ALA A 17 -9.969 -6.470 -14.582 1.00 41.96 O ATOM 157 CB ALA A 17 -8.052 -7.126 -12.142 1.00 40.15 C ATOM 158 H ALA A 17 -6.050 -5.640 -12.630 1.00 0.00 H ATOM 159 N LEU A 18 -9.139 -4.527 -13.782 1.00 45.19 N ATOM 160 CA LEU A 18 -10.241 -3.693 -14.269 1.00 47.14 C ATOM 161 C LEU A 18 -10.431 -3.768 -15.790 1.00 45.37 C ATOM 162 O LEU A 18 -11.548 -3.601 -16.280 1.00 48.39 O ATOM 163 CB LEU A 18 -10.030 -2.225 -13.867 1.00 50.83 C ATOM 164 CG LEU A 18 -9.891 -1.869 -12.382 1.00 52.24 C ATOM 165 CD1 LEU A 18 -9.741 -0.360 -12.240 1.00 51.82 C ATOM 166 CD2 LEU A 18 -11.068 -2.393 -11.571 1.00 50.59 C ATOM 167 H LEU A 18 -8.379 -4.077 -13.233 1.00 0.00 H ATOM 168 N GLN A 19 -9.346 -4.019 -16.524 1.00 41.94 N ATOM 169 CA GLN A 19 -9.403 -4.200 -17.976 1.00 40.37 C ATOM 170 C GLN A 19 -10.166 -5.446 -18.418 1.00 38.33 C ATOM 171 O GLN A 19 -10.602 -5.521 -19.572 1.00 35.35 O ATOM 172 CB GLN A 19 -7.993 -4.200 -18.587 1.00 41.29 C ATOM 173 CG GLN A 19 -7.365 -2.809 -18.665 1.00 41.01 C ATOM 174 CD GLN A 19 -6.297 -2.698 -19.749 1.00 42.04 C ATOM 175 OE1 GLN A 19 -5.117 -2.521 -19.447 1.00 39.33 O ATOM 176 NE2 GLN A 19 -6.710 -2.803 -21.023 1.00 43.50 N ATOM 177 HE22 GLN A 19 -7.718 -2.952 -21.232 1.00 0.00 H ATOM 178 HE21 GLN A 19 -6.022 -2.735 -21.800 1.00 0.00 H ATOM 179 H GLN A 19 -8.424 -4.089 -16.047 1.00 0.00 H ATOM 180 N TYR A 20 -10.321 -6.403 -17.507 1.00 37.10 N ATOM 181 CA TYR A 20 -11.118 -7.602 -17.729 1.00 39.01 C ATOM 182 C TYR A 20 -12.458 -7.562 -16.988 1.00 43.27 C ATOM 183 O TYR A 20 -13.135 -8.574 -16.896 1.00 44.18 O ATOM 184 CB TYR A 20 -10.318 -8.841 -17.306 1.00 35.05 C ATOM 185 CG TYR A 20 -9.105 -9.093 -18.169 1.00 33.39 C ATOM 186 CD1 TYR A 20 -7.892 -8.422 -17.936 1.00 31.05 C ATOM 187 CD2 TYR A 20 -9.156 -10.010 -19.218 1.00 31.48 C ATOM 188 CE1 TYR A 20 -6.780 -8.659 -18.730 1.00 30.45 C ATOM 189 CE2 TYR A 20 -8.047 -10.243 -20.023 1.00 31.33 C ATOM 190 CZ TYR A 20 -6.867 -9.569 -19.776 1.00 30.74 C ATOM 191 OH TYR A 20 -5.784 -9.820 -20.571 1.00 32.07 O ATOM 192 HH TYR A 20 -6.007 -9.598 -21.510 1.00 0.00 H ATOM 193 H TYR A 20 -9.848 -6.289 -16.588 1.00 0.00 H ATOM 194 N ASN A 21 -12.851 -6.407 -16.466 1.00 49.47 N ATOM 195 CA ASN A 21 -14.146 -6.271 -15.790 1.00 52.16 C ATOM 196 C ASN A 21 -15.087 -5.662 -16.824 1.00 52.17 C ATOM 197 O ASN A 21 -14.702 -4.741 -17.571 1.00 55.48 O ATOM 198 CB ASN A 21 -14.001 -5.402 -14.529 1.00 56.21 C ATOM 199 CG ASN A 21 -15.274 -5.328 -13.681 1.00 59.07 C ATOM 200 OD1 ASN A 21 -15.703 -4.228 -13.316 1.00 61.41 O ATOM 201 ND2 ASN A 21 -15.868 -6.481 -13.340 1.00 60.08 N ATOM 202 HD22 ASN A 21 -15.474 -7.386 -13.669 1.00 0.00 H ATOM 203 HD21 ASN A 21 -16.722 -6.470 -12.747 1.00 0.00 H ATOM 204 H ASN A 21 -12.226 -5.579 -16.538 1.00 0.00 H ATOM 205 N ASP A 22 -16.287 -6.237 -16.912 1.00 50.70 N ATOM 206 CA ASP A 22 -17.267 -5.948 -17.970 1.00 47.86 C ATOM 207 C ASP A 22 -16.745 -6.170 -19.383 1.00 43.52 C ATOM 208 O ASP A 22 -17.372 -5.720 -20.345 1.00 47.57 O ATOM 209 CB ASP A 22 -17.830 -4.527 -17.842 1.00 49.47 C ATOM 210 CG ASP A 22 -18.427 -4.265 -16.497 1.00 51.34 C ATOM 211 OD1 ASP A 22 -18.905 -5.225 -15.847 1.00 53.04 O ATOM 212 OD2 ASP A 22 -18.414 -3.088 -16.089 1.00 54.06 O ATOM 213 H ASP A 22 -16.547 -6.935 -16.186 1.00 0.00 H ATOM 214 N TYR A 23 -15.636 -6.890 -19.525 1.00 37.57 N ATOM 215 CA TYR A 23 -15.101 -7.174 -20.843 1.00 32.31 C ATOM 216 C TYR A 23 -16.038 -8.138 -21.530 1.00 30.70 C ATOM 217 O TYR A 23 -16.450 -9.144 -20.937 1.00 30.78 O ATOM 218 CB TYR A 23 -13.729 -7.802 -20.756 1.00 29.69 C ATOM 219 CG TYR A 23 -13.066 -7.972 -22.095 1.00 27.31 C ATOM 220 CD1 TYR A 23 -13.283 -9.113 -22.870 1.00 25.56 C ATOM 221 CD2 TYR A 23 -12.208 -6.999 -22.587 1.00 26.28 C ATOM 222 CE1 TYR A 23 -12.647 -9.283 -24.094 1.00 24.62 C ATOM 223 CE2 TYR A 23 -11.573 -7.152 -23.814 1.00 26.73 C ATOM 224 CZ TYR A 23 -11.788 -8.297 -24.564 1.00 25.57 C ATOM 225 OH TYR A 23 -11.151 -8.418 -25.778 1.00 26.70 O ATOM 226 HH TYR A 23 -11.399 -9.281 -26.195 1.00 0.00 H ATOM 227 H TYR A 23 -15.147 -7.253 -18.682 1.00 0.00 H ATOM 228 N GLY A 24 -16.382 -7.805 -22.766 1.00 29.31 N ATOM 229 CA GLY A 24 -17.237 -8.620 -23.590 1.00 29.44 C ATOM 230 C GLY A 24 -18.562 -8.937 -22.925 1.00 29.00 C ATOM 231 O GLY A 24 -19.123 -8.133 -22.165 1.00 27.37 O ATOM 232 H GLY A 24 -16.018 -6.914 -23.159 1.00 0.00 H ATOM 233 N CYS A 25 -19.038 -10.141 -23.209 1.00 28.95 N ATOM 234 CA CYS A 25 -20.325 -10.607 -22.730 1.00 28.09 C ATOM 235 C CYS A 25 -20.262 -11.458 -21.478 1.00 27.05 C ATOM 236 O CYS A 25 -21.306 -11.640 -20.843 1.00 27.87 O ATOM 237 CB CYS A 25 -21.027 -11.334 -23.883 1.00 30.36 C ATOM 238 SG CYS A 25 -21.508 -10.179 -25.199 1.00 29.40 S ATOM 239 H CYS A 25 -18.465 -10.777 -23.799 1.00 0.00 H ATOM 240 N TYR A 26 -19.059 -11.929 -21.092 1.00 26.08 N ATOM 241 CA TYR A 26 -18.890 -12.840 -19.950 1.00 25.86 C ATOM 242 C TYR A 26 -17.991 -12.407 -18.784 1.00 25.96 C ATOM 243 O TYR A 26 -18.147 -12.940 -17.692 1.00 26.44 O ATOM 244 CB TYR A 26 -18.480 -14.251 -20.439 1.00 26.76 C ATOM 245 CG TYR A 26 -19.654 -15.004 -20.993 1.00 27.31 C ATOM 246 CD1 TYR A 26 -20.466 -15.770 -20.161 1.00 28.53 C ATOM 247 CD2 TYR A 26 -20.007 -14.882 -22.327 1.00 28.23 C ATOM 248 CE1 TYR A 26 -21.590 -16.428 -20.659 1.00 30.60 C ATOM 249 CE2 TYR A 26 -21.121 -15.528 -22.840 1.00 30.17 C ATOM 250 CZ TYR A 26 -21.913 -16.303 -22.005 1.00 30.24 C ATOM 251 OH TYR A 26 -23.020 -16.940 -22.493 1.00 30.44 O ATOM 252 HH TYR A 26 -23.650 -16.270 -22.860 1.00 0.00 H ATOM 253 H TYR A 26 -18.215 -11.636 -21.624 1.00 0.00 H ATOM 254 N CYS A 27 -17.055 -11.487 -18.979 1.00 25.71 N ATOM 255 CA CYS A 27 -16.151 -11.128 -17.894 1.00 26.10 C ATOM 256 C CYS A 27 -16.816 -10.081 -17.000 1.00 29.72 C ATOM 257 O CYS A 27 -17.210 -8.996 -17.476 1.00 29.66 O ATOM 258 CB CYS A 27 -14.827 -10.608 -18.422 1.00 23.82 C ATOM 259 SG CYS A 27 -14.062 -11.628 -19.679 1.00 23.14 S ATOM 260 H CYS A 27 -16.967 -11.023 -19.905 1.00 0.00 H ATOM 261 N GLY A 28 -16.931 -10.404 -15.712 1.00 32.73 N ATOM 262 CA GLY A 28 -17.718 -9.607 -14.763 1.00 36.43 C ATOM 263 C GLY A 28 -18.878 -10.456 -14.310 1.00 39.07 C ATOM 264 O GLY A 28 -19.044 -11.560 -14.814 1.00 42.86 O ATOM 265 H GLY A 28 -16.444 -11.255 -15.365 1.00 0.00 H ATOM 266 N ILE A 29 -19.686 -9.973 -13.374 1.00 42.78 N ATOM 267 CA ILE A 29 -20.734 -10.834 -12.807 1.00 48.57 C ATOM 268 C ILE A 29 -21.746 -11.283 -13.874 1.00 47.46 C ATOM 269 O ILE A 29 -22.095 -10.521 -14.784 1.00 47.80 O ATOM 270 CB ILE A 29 -21.438 -10.222 -11.559 1.00 55.25 C ATOM 271 CG1 ILE A 29 -22.151 -8.885 -11.879 1.00 58.04 C ATOM 272 CG2 ILE A 29 -20.444 -10.095 -10.399 1.00 55.64 C ATOM 273 CD1 ILE A 29 -23.666 -8.955 -11.767 1.00 59.62 C ATOM 274 H ILE A 29 -19.578 -8.993 -13.044 1.00 0.00 H ATOM 275 N GLY A 30 -22.156 -12.548 -13.773 1.00 45.77 N ATOM 276 CA GLY A 30 -23.073 -13.160 -14.720 1.00 45.15 C ATOM 277 C GLY A 30 -22.477 -13.320 -16.110 1.00 44.25 C ATOM 278 O GLY A 30 -21.279 -13.542 -16.272 1.00 40.74 O ATOM 279 H GLY A 30 -21.804 -13.122 -12.981 1.00 0.00 H ATOM 280 N GLY A 31 -23.323 -13.187 -17.121 1.00 43.03 N ATOM 281 CA GLY A 31 -22.899 -13.354 -18.502 1.00 44.68 C ATOM 282 C GLY A 31 -23.920 -14.174 -19.247 1.00 42.98 C ATOM 283 O GLY A 31 -24.605 -15.002 -18.664 1.00 46.19 O ATOM 284 H GLY A 31 -24.317 -12.957 -16.921 1.00 0.00 H ATOM 285 N SER A 32 -24.031 -13.919 -20.540 1.00 42.14 N ATOM 286 CA SER A 32 -25.041 -14.557 -21.380 1.00 40.18 C ATOM 287 C SER A 32 -24.710 -14.312 -22.837 1.00 37.50 C ATOM 288 O SER A 32 -23.828 -13.511 -23.148 1.00 32.31 O ATOM 289 CB SER A 32 -26.423 -13.982 -21.087 1.00 41.01 C ATOM 290 OG SER A 32 -26.476 -12.599 -21.424 1.00 42.13 O ATOM 291 HG SER A 32 -27.380 -12.247 -21.226 1.00 0.00 H ATOM 292 H SER A 32 -23.375 -13.239 -20.975 1.00 0.00 H ATOM 293 N HIS A 33 -25.437 -15.006 -23.713 1.00 37.19 N ATOM 294 CA HIS A 33 -25.337 -14.822 -25.167 1.00 37.22 C ATOM 295 C HIS A 33 -23.966 -15.307 -25.667 1.00 32.70 C ATOM 296 O HIS A 33 -23.346 -16.136 -25.005 1.00 32.34 O ATOM 297 CB HIS A 33 -25.717 -13.375 -25.575 1.00 39.10 C ATOM 298 CG HIS A 33 -27.149 -13.026 -25.285 1.00 43.43 C ATOM 299 ND1 HIS A 33 -28.200 -13.516 -26.033 1.00 44.97 N ATOM 300 CD2 HIS A 33 -27.702 -12.233 -24.335 1.00 44.74 C ATOM 301 CE1 HIS A 33 -29.337 -13.037 -25.558 1.00 46.42 C ATOM 302 NE2 HIS A 33 -29.062 -12.261 -24.525 1.00 46.47 N ATOM 303 H HIS A 33 -26.108 -15.712 -23.349 1.00 0.00 H ATOM 304 N TRP A 34 -23.509 -14.866 -26.837 1.00 30.35 N ATOM 305 CA TRP A 34 -22.359 -15.505 -27.454 1.00 29.49 C ATOM 306 C TRP A 34 -21.095 -14.723 -27.159 1.00 30.25 C ATOM 307 O TRP A 34 -21.110 -13.506 -27.292 1.00 31.63 O ATOM 308 CB TRP A 34 -22.535 -15.668 -28.963 1.00 27.52 C ATOM 309 CG TRP A 34 -21.604 -16.732 -29.514 1.00 25.91 C ATOM 310 CD1 TRP A 34 -20.433 -16.533 -30.171 1.00 24.88 C ATOM 311 CD2 TRP A 34 -21.772 -18.151 -29.414 1.00 25.32 C ATOM 312 NE1 TRP A 34 -19.866 -17.733 -30.504 1.00 25.15 N ATOM 313 CE2 TRP A 34 -20.672 -18.746 -30.061 1.00 24.90 C ATOM 314 CE3 TRP A 34 -22.769 -18.976 -28.874 1.00 26.39 C ATOM 315 CZ2 TRP A 34 -20.525 -20.130 -30.179 1.00 25.50 C ATOM 316 CZ3 TRP A 34 -22.621 -20.364 -28.979 1.00 26.28 C ATOM 317 CH2 TRP A 34 -21.504 -20.923 -29.631 1.00 26.11 C ATOM 318 HE1 TRP A 34 -18.967 -17.855 -31.012 1.00 0.00 H ATOM 319 H TRP A 34 -23.975 -14.065 -27.309 1.00 0.00 H ATOM 320 N PRO A 35 -19.997 -15.421 -26.769 1.00 30.67 N ATOM 321 CA PRO A 35 -18.769 -14.722 -26.416 1.00 29.79 C ATOM 322 C PRO A 35 -18.174 -13.992 -27.607 1.00 28.22 C ATOM 323 O PRO A 35 -18.024 -14.581 -28.681 1.00 27.38 O ATOM 324 CB PRO A 35 -17.833 -15.859 -25.952 1.00 30.94 C ATOM 325 CG PRO A 35 -18.746 -16.996 -25.622 1.00 31.08 C ATOM 326 CD PRO A 35 -19.816 -16.884 -26.651 1.00 30.64 C ATOM 327 N VAL A 36 -17.812 -12.731 -27.395 1.00 26.22 N ATOM 328 CA VAL A 36 -17.324 -11.885 -28.482 1.00 25.52 C ATOM 329 C VAL A 36 -15.959 -12.286 -29.026 1.00 25.49 C ATOM 330 O VAL A 36 -15.672 -12.022 -30.184 1.00 29.62 O ATOM 331 CB VAL A 36 -17.267 -10.386 -28.077 1.00 25.37 C ATOM 332 CG1 VAL A 36 -18.640 -9.881 -27.650 1.00 24.73 C ATOM 333 CG2 VAL A 36 -16.232 -10.131 -26.985 1.00 25.22 C ATOM 334 H VAL A 36 -17.877 -12.338 -26.434 1.00 0.00 H ATOM 335 N ASP A 37 -15.102 -12.869 -28.194 1.00 24.72 N ATOM 336 CA ASP A 37 -13.733 -13.225 -28.596 1.00 25.33 C ATOM 337 C ASP A 37 -13.104 -14.245 -27.604 1.00 25.22 C ATOM 338 O ASP A 37 -13.773 -14.705 -26.674 1.00 24.10 O ATOM 339 CB ASP A 37 -12.848 -11.959 -28.795 1.00 25.14 C ATOM 340 CG ASP A 37 -12.329 -11.353 -27.483 1.00 24.98 C ATOM 341 OD1 ASP A 37 -12.617 -11.870 -26.374 1.00 24.71 O ATOM 342 OD2 ASP A 37 -11.602 -10.335 -27.563 1.00 26.24 O ATOM 343 H ASP A 37 -15.411 -13.081 -27.224 1.00 0.00 H ATOM 344 N GLN A 38 -11.824 -14.558 -27.804 1.00 25.98 N ATOM 345 CA GLN A 38 -11.144 -15.631 -27.068 1.00 28.83 C ATOM 346 C GLN A 38 -10.984 -15.335 -25.580 1.00 27.09 C ATOM 347 O GLN A 38 -11.215 -16.194 -24.742 1.00 28.00 O ATOM 348 CB GLN A 38 -9.781 -15.946 -27.707 1.00 30.75 C ATOM 349 CG GLN A 38 -9.923 -16.711 -29.018 1.00 33.96 C ATOM 350 CD GLN A 38 -10.295 -18.172 -28.790 1.00 38.05 C ATOM 351 OE1 GLN A 38 -11.475 -18.512 -28.630 1.00 37.80 O ATOM 352 NE2 GLN A 38 -9.279 -19.042 -28.744 1.00 38.68 N ATOM 353 HE22 GLN A 38 -8.303 -18.710 -28.884 1.00 0.00 H ATOM 354 HE21 GLN A 38 -9.465 -20.050 -28.568 1.00 0.00 H ATOM 355 H GLN A 38 -11.284 -14.019 -28.511 1.00 0.00 H ATOM 356 N THR A 39 -10.600 -14.115 -25.268 1.00 25.01 N ATOM 357 CA THR A 39 -10.600 -13.629 -23.889 1.00 24.83 C ATOM 358 C THR A 39 -11.960 -13.836 -23.198 1.00 25.61 C ATOM 359 O THR A 39 -12.024 -14.314 -22.054 1.00 26.43 O ATOM 360 CB THR A 39 -10.171 -12.157 -23.894 1.00 23.57 C ATOM 361 OG1 THR A 39 -8.818 -12.099 -24.383 1.00 22.23 O ATOM 362 CG2 THR A 39 -10.294 -11.495 -22.505 1.00 22.35 C ATOM 363 HG1 THR A 39 -8.783 -12.472 -25.299 1.00 0.00 H ATOM 364 H THR A 39 -10.287 -13.476 -26.027 1.00 0.00 H ATOM 365 N ASP A 40 -13.037 -13.518 -23.913 1.00 25.63 N ATOM 366 CA ASP A 40 -14.389 -13.667 -23.379 1.00 24.62 C ATOM 367 C ASP A 40 -14.697 -15.157 -23.160 1.00 23.92 C ATOM 368 O ASP A 40 -15.382 -15.508 -22.200 1.00 21.57 O ATOM 369 CB ASP A 40 -15.423 -12.999 -24.317 1.00 25.40 C ATOM 370 CG ASP A 40 -16.670 -12.489 -23.593 1.00 26.49 C ATOM 371 OD1 ASP A 40 -16.695 -12.435 -22.341 1.00 28.00 O ATOM 372 OD2 ASP A 40 -17.648 -12.096 -24.281 1.00 26.73 O ATOM 373 H ASP A 40 -12.913 -13.153 -24.879 1.00 0.00 H ATOM 374 N TRP A 41 -14.196 -16.028 -24.045 1.00 24.24 N ATOM 375 CA TRP A 41 -14.323 -17.474 -23.821 1.00 24.44 C ATOM 376 C TRP A 41 -13.665 -17.885 -22.507 1.00 23.15 C ATOM 377 O TRP A 41 -14.249 -18.675 -21.761 1.00 23.53 O ATOM 378 CB TRP A 41 -13.773 -18.306 -24.991 1.00 25.66 C ATOM 379 CG TRP A 41 -14.743 -18.441 -26.130 1.00 27.86 C ATOM 380 CD1 TRP A 41 -14.713 -17.759 -27.313 1.00 28.43 C ATOM 381 CD2 TRP A 41 -15.895 -19.300 -26.190 1.00 28.98 C ATOM 382 NE1 TRP A 41 -15.766 -18.134 -28.098 1.00 29.97 N ATOM 383 CE2 TRP A 41 -16.510 -19.081 -27.441 1.00 30.15 C ATOM 384 CE3 TRP A 41 -16.469 -20.231 -25.305 1.00 29.43 C ATOM 385 CZ2 TRP A 41 -17.676 -19.774 -27.849 1.00 29.69 C ATOM 386 CZ3 TRP A 41 -17.634 -20.920 -25.710 1.00 30.45 C ATOM 387 CH2 TRP A 41 -18.223 -20.677 -26.979 1.00 29.27 C ATOM 388 HE1 TRP A 41 -15.972 -17.760 -29.046 1.00 0.00 H ATOM 389 H TRP A 41 -13.713 -15.678 -24.897 1.00 0.00 H ATOM 390 N CYS A 42 -12.482 -17.337 -22.207 1.00 22.28 N ATOM 391 CA CYS A 42 -11.806 -17.624 -20.936 1.00 21.93 C ATOM 392 C CYS A 42 -12.776 -17.404 -19.796 1.00 21.11 C ATOM 393 O CYS A 42 -12.878 -18.254 -18.915 1.00 20.87 O ATOM 394 CB CYS A 42 -10.570 -16.751 -20.703 1.00 22.68 C ATOM 395 SG CYS A 42 -9.337 -16.723 -22.022 1.00 25.41 S ATOM 396 H CYS A 42 -12.032 -16.694 -22.889 1.00 0.00 H ATOM 397 N CYS A 43 -13.493 -16.278 -19.840 1.00 20.12 N ATOM 398 CA CYS A 43 -14.479 -15.923 -18.812 1.00 20.97 C ATOM 399 C CYS A 43 -15.705 -16.817 -18.783 1.00 22.06 C ATOM 400 O CYS A 43 -16.193 -17.139 -17.695 1.00 23.28 O ATOM 401 CB CYS A 43 -14.929 -14.460 -18.965 1.00 21.39 C ATOM 402 SG CYS A 43 -13.578 -13.324 -18.667 1.00 20.22 S ATOM 403 H CYS A 43 -13.347 -15.625 -20.636 1.00 0.00 H ATOM 404 N HIS A 44 -16.208 -17.210 -19.961 1.00 22.37 N ATOM 405 CA HIS A 44 -17.265 -18.239 -20.062 1.00 22.00 C ATOM 406 C HIS A 44 -16.801 -19.558 -19.417 1.00 22.18 C ATOM 407 O HIS A 44 -17.517 -20.139 -18.588 1.00 23.35 O ATOM 408 CB HIS A 44 -17.672 -18.459 -21.528 1.00 22.44 C ATOM 409 CG HIS A 44 -18.625 -19.602 -21.747 1.00 22.62 C ATOM 410 ND1 HIS A 44 -18.203 -20.910 -21.886 1.00 22.16 N ATOM 411 CD2 HIS A 44 -19.971 -19.622 -21.896 1.00 22.41 C ATOM 412 CE1 HIS A 44 -19.251 -21.684 -22.085 1.00 23.11 C ATOM 413 NE2 HIS A 44 -20.338 -20.931 -22.089 1.00 22.57 N ATOM 414 H HIS A 44 -15.843 -16.777 -20.833 1.00 0.00 H ATOM 415 N ALA A 45 -15.613 -20.022 -19.789 1.00 20.40 N ATOM 416 CA ALA A 45 -15.016 -21.207 -19.132 1.00 20.08 C ATOM 417 C ALA A 45 -14.875 -20.979 -17.605 1.00 19.62 C ATOM 418 O ALA A 45 -15.239 -21.839 -16.814 1.00 20.22 O ATOM 419 CB ALA A 45 -13.664 -21.568 -19.772 1.00 18.54 C ATOM 420 H ALA A 45 -15.094 -19.545 -20.554 1.00 0.00 H ATOM 421 N HIS A 46 -14.421 -19.800 -17.197 1.00 19.89 N ATOM 422 CA HIS A 46 -14.247 -19.494 -15.769 1.00 20.95 C ATOM 423 C HIS A 46 -15.579 -19.531 -15.006 1.00 20.57 C ATOM 424 O HIS A 46 -15.658 -20.152 -13.953 1.00 20.06 O ATOM 425 CB HIS A 46 -13.561 -18.143 -15.598 1.00 22.48 C ATOM 426 CG HIS A 46 -13.178 -17.836 -14.187 1.00 24.27 C ATOM 427 ND1 HIS A 46 -13.963 -17.076 -13.349 1.00 25.29 N ATOM 428 CD2 HIS A 46 -12.098 -18.201 -13.459 1.00 25.02 C ATOM 429 CE1 HIS A 46 -13.383 -16.984 -12.168 1.00 25.59 C ATOM 430 NE2 HIS A 46 -12.254 -17.668 -12.207 1.00 25.94 N ATOM 431 H HIS A 46 -14.183 -19.076 -17.904 1.00 0.00 H ATOM 432 N ASP A 47 -16.619 -18.895 -15.554 1.00 20.71 N ATOM 433 CA ASP A 47 -18.000 -19.056 -15.047 1.00 21.11 C ATOM 434 C ASP A 47 -18.412 -20.553 -14.891 1.00 20.85 C ATOM 435 O ASP A 47 -18.969 -20.968 -13.858 1.00 18.93 O ATOM 436 CB ASP A 47 -18.997 -18.416 -16.013 1.00 22.34 C ATOM 437 CG ASP A 47 -19.043 -16.884 -15.949 1.00 23.66 C ATOM 438 OD1 ASP A 47 -18.297 -16.219 -15.205 1.00 25.22 O ATOM 439 OD2 ASP A 47 -19.877 -16.327 -16.684 1.00 24.96 O ATOM 440 H ASP A 47 -16.452 -18.265 -16.365 1.00 0.00 H ATOM 441 N CYS A 48 -18.155 -21.341 -15.932 1.00 20.32 N ATOM 442 CA CYS A 48 -18.418 -22.785 -15.884 1.00 21.94 C ATOM 443 C CYS A 48 -17.649 -23.437 -14.742 1.00 20.86 C ATOM 444 O CYS A 48 -18.238 -24.176 -13.940 1.00 19.91 O ATOM 445 CB CYS A 48 -18.088 -23.475 -17.218 1.00 22.93 C ATOM 446 SG CYS A 48 -19.246 -23.022 -18.519 1.00 27.29 S ATOM 447 H CYS A 48 -17.759 -20.925 -16.799 1.00 0.00 H ATOM 448 N CYS A 49 -16.360 -23.107 -14.647 1.00 20.06 N ATOM 449 CA CYS A 49 -15.499 -23.601 -13.556 1.00 19.93 C ATOM 450 C CYS A 49 -16.106 -23.323 -12.181 1.00 19.93 C ATOM 451 O CYS A 49 -16.238 -24.215 -11.343 1.00 21.12 O ATOM 452 CB CYS A 49 -14.099 -23.002 -13.661 1.00 19.99 C ATOM 453 SG CYS A 49 -12.810 -24.060 -12.963 1.00 20.47 S ATOM 454 H CYS A 49 -15.948 -22.480 -15.367 1.00 0.00 H ATOM 455 N TYR A 50 -16.538 -22.095 -11.970 1.00 20.33 N ATOM 456 CA TYR A 50 -17.186 -21.745 -10.706 1.00 21.37 C ATOM 457 C TYR A 50 -18.485 -22.536 -10.480 1.00 20.52 C ATOM 458 O TYR A 50 -18.715 -23.019 -9.376 1.00 20.81 O ATOM 459 CB TYR A 50 -17.378 -20.207 -10.586 1.00 21.72 C ATOM 460 CG TYR A 50 -16.177 -19.438 -10.009 1.00 23.02 C ATOM 461 CD1 TYR A 50 -14.875 -19.933 -10.076 1.00 23.46 C ATOM 462 CD2 TYR A 50 -16.353 -18.172 -9.415 1.00 24.86 C ATOM 463 CE1 TYR A 50 -13.797 -19.214 -9.543 1.00 24.81 C ATOM 464 CE2 TYR A 50 -15.282 -17.442 -8.889 1.00 24.11 C ATOM 465 CZ TYR A 50 -13.996 -17.955 -8.956 1.00 24.38 C ATOM 466 OH TYR A 50 -12.924 -17.246 -8.424 1.00 21.47 O ATOM 467 HH TYR A 50 -12.089 -17.760 -8.561 1.00 0.00 H ATOM 468 H TYR A 50 -16.417 -21.371 -12.707 1.00 0.00 H ATOM 469 N GLY A 51 -19.313 -22.700 -11.513 1.00 21.19 N ATOM 470 CA GLY A 51 -20.516 -23.545 -11.418 1.00 20.64 C ATOM 471 C GLY A 51 -20.223 -24.961 -10.896 1.00 21.29 C ATOM 472 O GLY A 51 -20.911 -25.437 -9.983 1.00 19.64 O ATOM 473 H GLY A 51 -19.103 -22.218 -12.410 1.00 0.00 H ATOM 474 N ARG A 52 -19.182 -25.610 -11.439 1.00 21.34 N ATOM 475 CA ARG A 52 -18.765 -26.949 -10.971 1.00 23.25 C ATOM 476 C ARG A 52 -18.367 -26.935 -9.486 1.00 23.18 C ATOM 477 O ARG A 52 -18.686 -27.877 -8.739 1.00 22.75 O ATOM 478 CB ARG A 52 -17.619 -27.539 -11.814 1.00 24.06 C ATOM 479 CG ARG A 52 -18.004 -27.869 -13.244 1.00 24.91 C ATOM 480 CD ARG A 52 -16.951 -28.720 -13.966 1.00 26.49 C ATOM 481 NE ARG A 52 -15.660 -28.031 -14.134 1.00 28.39 N ATOM 482 CZ ARG A 52 -15.381 -27.081 -15.044 1.00 28.02 C ATOM 483 NH1 ARG A 52 -16.307 -26.658 -15.914 1.00 29.54 N ATOM 484 NH2 ARG A 52 -14.166 -26.533 -15.079 1.00 26.21 N ATOM 485 HE ARG A 52 -14.892 -28.305 -13.488 1.00 0.00 H ATOM 486 HH12 ARG A 52 -16.069 -25.922 -16.609 1.00 0.00 H ATOM 487 HH11 ARG A 52 -17.264 -27.065 -15.894 1.00 0.00 H ATOM 488 HH22 ARG A 52 -13.947 -25.798 -15.782 1.00 0.00 H ATOM 489 HH21 ARG A 52 -13.437 -26.840 -14.404 1.00 0.00 H ATOM 490 H ARG A 52 -18.653 -25.158 -12.212 1.00 0.00 H ATOM 491 N LEU A 53 -17.701 -25.861 -9.069 1.00 21.90 N ATOM 492 CA LEU A 53 -17.269 -25.722 -7.686 1.00 22.22 C ATOM 493 C LEU A 53 -18.456 -25.554 -6.742 1.00 22.96 C ATOM 494 O LEU A 53 -18.481 -26.152 -5.658 1.00 22.84 O ATOM 495 CB LEU A 53 -16.236 -24.597 -7.529 1.00 21.74 C ATOM 496 CG LEU A 53 -14.744 -24.991 -7.579 1.00 22.12 C ATOM 497 CD1 LEU A 53 -14.387 -25.825 -8.798 1.00 21.63 C ATOM 498 CD2 LEU A 53 -13.848 -23.742 -7.508 1.00 21.87 C ATOM 499 H LEU A 53 -17.484 -25.103 -9.747 1.00 0.00 H ATOM 500 N GLU A 54 -19.446 -24.770 -7.157 1.00 24.66 N ATOM 501 CA GLU A 54 -20.697 -24.626 -6.373 1.00 25.37 C ATOM 502 C GLU A 54 -21.412 -25.974 -6.250 1.00 23.98 C ATOM 503 O GLU A 54 -21.768 -26.391 -5.175 1.00 24.81 O ATOM 504 CB GLU A 54 -21.600 -23.537 -6.964 1.00 25.51 C ATOM 505 CG GLU A 54 -20.969 -22.170 -6.782 1.00 27.65 C ATOM 506 CD GLU A 54 -21.734 -21.000 -7.358 1.00 29.75 C ATOM 507 OE1 GLU A 54 -22.678 -21.194 -8.158 1.00 30.86 O ATOM 508 OE2 GLU A 54 -21.353 -19.858 -6.999 1.00 32.43 O ATOM 509 H GLU A 54 -19.341 -24.247 -8.050 1.00 0.00 H ATOM 510 N LYS A 55 -21.530 -26.700 -7.341 1.00 24.96 N ATOM 511 CA LYS A 55 -22.136 -28.026 -7.294 1.00 26.35 C ATOM 512 C LYS A 55 -21.376 -28.981 -6.365 1.00 25.38 C ATOM 513 O LYS A 55 -21.979 -29.866 -5.783 1.00 25.81 O ATOM 514 CB LYS A 55 -22.254 -28.609 -8.703 1.00 28.44 C ATOM 515 CG LYS A 55 -23.296 -29.694 -8.807 1.00 31.50 C ATOM 516 CD LYS A 55 -23.324 -30.361 -10.178 1.00 33.63 C ATOM 517 CE LYS A 55 -23.747 -31.821 -10.049 1.00 33.78 C ATOM 518 NZ LYS A 55 -23.974 -32.411 -11.392 1.00 35.23 N ATOM 519 HZ1 LYS A 55 -24.724 -31.881 -11.880 1.00 0.00 H ATOM 520 HZ2 LYS A 55 -23.095 -32.359 -11.945 1.00 0.00 H ATOM 521 HZ3 LYS A 55 -24.261 -33.405 -11.288 1.00 0.00 H ATOM 522 H LYS A 55 -21.187 -26.324 -8.248 1.00 0.00 H ATOM 523 N LEU A 56 -20.064 -28.783 -6.219 1.00 25.58 N ATOM 524 CA LEU A 56 -19.243 -29.542 -5.261 1.00 25.38 C ATOM 525 C LEU A 56 -19.382 -29.140 -3.778 1.00 24.54 C ATOM 526 O LEU A 56 -18.836 -29.825 -2.916 1.00 25.90 O ATOM 527 CB LEU A 56 -17.760 -29.504 -5.675 1.00 25.45 C ATOM 528 CG LEU A 56 -17.384 -30.483 -6.785 1.00 25.57 C ATOM 529 CD1 LEU A 56 -16.024 -30.100 -7.354 1.00 25.99 C ATOM 530 CD2 LEU A 56 -17.385 -31.942 -6.303 1.00 25.69 C ATOM 531 H LEU A 56 -19.602 -28.061 -6.808 1.00 0.00 H ATOM 532 N GLY A 57 -20.123 -28.075 -3.473 1.00 23.69 N ATOM 533 CA GLY A 57 -20.283 -27.589 -2.099 1.00 22.83 C ATOM 534 C GLY A 57 -19.353 -26.443 -1.725 1.00 22.39 C ATOM 535 O GLY A 57 -19.422 -25.964 -0.606 1.00 20.92 O ATOM 536 H GLY A 57 -20.608 -27.568 -4.241 1.00 0.00 H ATOM 537 N CYS A 58 -18.501 -25.996 -2.660 1.00 22.23 N ATOM 538 CA CYS A 58 -17.590 -24.866 -2.442 1.00 22.91 C ATOM 539 C CYS A 58 -18.322 -23.568 -2.677 1.00 24.84 C ATOM 540 O CYS A 58 -19.408 -23.586 -3.220 1.00 28.76 O ATOM 541 CB CYS A 58 -16.394 -24.924 -3.410 1.00 21.42 C ATOM 542 SG CYS A 58 -15.436 -26.465 -3.391 1.00 19.82 S ATOM 543 H CYS A 58 -18.485 -26.473 -3.584 1.00 0.00 H ATOM 544 N GLU A 59 -17.692 -22.449 -2.320 1.00 25.92 N ATOM 545 CA GLU A 59 -18.229 -21.097 -2.544 1.00 26.73 C ATOM 546 C GLU A 59 -17.169 -20.209 -3.219 1.00 26.46 C ATOM 547 O GLU A 59 -16.692 -19.246 -2.629 1.00 25.37 O ATOM 548 CB GLU A 59 -18.648 -20.473 -1.218 1.00 28.15 C ATOM 549 CG GLU A 59 -19.704 -21.246 -0.446 1.00 30.37 C ATOM 550 CD GLU A 59 -19.974 -20.616 0.911 1.00 34.32 C ATOM 551 OE1 GLU A 59 -19.187 -20.875 1.858 1.00 35.83 O ATOM 552 OE2 GLU A 59 -20.955 -19.840 1.022 1.00 35.63 O ATOM 553 H GLU A 59 -16.766 -22.536 -1.855 1.00 0.00 H ATOM 554 N PRO A 60 -16.822 -20.510 -4.481 1.00 27.12 N ATOM 555 CA PRO A 60 -15.638 -19.909 -5.102 1.00 27.27 C ATOM 556 C PRO A 60 -15.649 -18.378 -5.227 1.00 27.24 C ATOM 557 O PRO A 60 -14.593 -17.774 -5.367 1.00 26.72 O ATOM 558 CB PRO A 60 -15.580 -20.587 -6.470 1.00 27.56 C ATOM 559 CG PRO A 60 -16.989 -20.974 -6.759 1.00 27.90 C ATOM 560 CD PRO A 60 -17.580 -21.339 -5.434 1.00 27.50 C ATOM 561 N LYS A 61 -16.824 -17.759 -5.177 1.00 29.21 N ATOM 562 CA LYS A 61 -16.911 -16.290 -5.098 1.00 30.16 C ATOM 563 C LYS A 61 -16.252 -15.737 -3.858 1.00 28.10 C ATOM 564 O LYS A 61 -15.800 -14.611 -3.872 1.00 28.15 O ATOM 565 CB LYS A 61 -18.373 -15.817 -5.149 1.00 31.79 C ATOM 566 CG LYS A 61 -18.902 -15.707 -6.569 1.00 34.61 C ATOM 567 CD LYS A 61 -20.409 -15.892 -6.662 1.00 36.08 C ATOM 568 CE LYS A 61 -20.882 -15.590 -8.077 1.00 38.37 C ATOM 569 NZ LYS A 61 -22.046 -16.443 -8.444 1.00 39.06 N ATOM 570 HZ1 LYS A 61 -21.771 -17.445 -8.390 1.00 0.00 H ATOM 571 HZ2 LYS A 61 -22.829 -16.261 -7.784 1.00 0.00 H ATOM 572 HZ3 LYS A 61 -22.348 -16.217 -9.413 1.00 0.00 H ATOM 573 H LYS A 61 -17.698 -18.322 -5.194 1.00 0.00 H ATOM 574 N LEU A 62 -16.244 -16.520 -2.785 1.00 28.80 N ATOM 575 CA LEU A 62 -15.754 -16.081 -1.489 1.00 30.66 C ATOM 576 C LEU A 62 -14.461 -16.757 -0.992 1.00 29.07 C ATOM 577 O LEU A 62 -13.798 -16.200 -0.119 1.00 26.80 O ATOM 578 CB LEU A 62 -16.877 -16.254 -0.439 1.00 31.82 C ATOM 579 CG LEU A 62 -18.195 -15.490 -0.723 1.00 34.01 C ATOM 580 CD1 LEU A 62 -19.253 -15.762 0.350 1.00 33.41 C ATOM 581 CD2 LEU A 62 -17.954 -13.986 -0.866 1.00 33.16 C ATOM 582 H LEU A 62 -16.605 -17.491 -2.876 1.00 0.00 H ATOM 583 N GLU A 63 -14.099 -17.930 -1.523 1.00 28.98 N ATOM 584 CA GLU A 63 -12.966 -18.701 -0.970 1.00 28.71 C ATOM 585 C GLU A 63 -11.710 -17.823 -1.024 1.00 29.09 C ATOM 586 O GLU A 63 -11.522 -17.062 -1.970 1.00 25.46 O ATOM 587 CB GLU A 63 -12.682 -20.008 -1.727 1.00 27.83 C ATOM 588 CG GLU A 63 -13.828 -21.017 -1.857 1.00 27.82 C ATOM 589 CD GLU A 63 -14.206 -21.779 -0.596 1.00 26.39 C ATOM 590 OE1 GLU A 63 -13.463 -21.737 0.417 1.00 24.03 O ATOM 591 OE2 GLU A 63 -15.280 -22.438 -0.645 1.00 24.90 O ATOM 592 H GLU A 63 -14.624 -18.306 -2.339 1.00 0.00 H ATOM 593 N LYS A 64 -10.890 -17.914 0.019 1.00 31.31 N ATOM 594 CA LYS A 64 -9.599 -17.228 0.074 1.00 32.57 C ATOM 595 C LYS A 64 -8.551 -18.298 -0.158 1.00 29.40 C ATOM 596 O LYS A 64 -8.572 -19.337 0.496 1.00 29.12 O ATOM 597 CB LYS A 64 -9.384 -16.571 1.443 1.00 36.03 C ATOM 598 CG LYS A 64 -10.403 -15.487 1.834 1.00 40.66 C ATOM 599 CD LYS A 64 -10.012 -14.072 1.381 1.00 43.30 C ATOM 600 CE LYS A 64 -10.705 -12.999 2.239 1.00 46.73 C ATOM 601 NZ LYS A 64 -10.104 -11.630 2.135 1.00 46.21 N ATOM 602 HZ1 LYS A 64 -9.110 -11.665 2.440 1.00 0.00 H ATOM 603 HZ2 LYS A 64 -10.153 -11.305 1.148 1.00 0.00 H ATOM 604 HZ3 LYS A 64 -10.633 -10.973 2.744 1.00 0.00 H ATOM 605 H LYS A 64 -11.179 -18.498 0.830 1.00 0.00 H ATOM 606 N TYR A 65 -7.644 -18.065 -1.093 1.00 26.25 N ATOM 607 CA TYR A 65 -6.587 -19.037 -1.359 1.00 25.38 C ATOM 608 C TYR A 65 -5.227 -18.363 -1.316 1.00 24.77 C ATOM 609 O TYR A 65 -5.129 -17.140 -1.128 1.00 25.55 O ATOM 610 CB TYR A 65 -6.826 -19.774 -2.692 1.00 24.12 C ATOM 611 CG TYR A 65 -6.898 -18.895 -3.907 1.00 23.73 C ATOM 612 CD1 TYR A 65 -5.743 -18.397 -4.501 1.00 23.74 C ATOM 613 CD2 TYR A 65 -8.125 -18.591 -4.497 1.00 22.87 C ATOM 614 CE1 TYR A 65 -5.804 -17.589 -5.633 1.00 24.34 C ATOM 615 CE2 TYR A 65 -8.202 -17.778 -5.622 1.00 22.41 C ATOM 616 CZ TYR A 65 -7.048 -17.278 -6.194 1.00 23.54 C ATOM 617 OH TYR A 65 -7.107 -16.478 -7.311 1.00 22.05 O ATOM 618 HH TYR A 65 -7.537 -16.977 -8.050 1.00 0.00 H ATOM 619 H TYR A 65 -7.684 -17.183 -1.643 1.00 0.00 H ATOM 620 N LEU A 66 -4.188 -19.170 -1.499 1.00 23.07 N ATOM 621 CA LEU A 66 -2.826 -18.679 -1.604 1.00 22.27 C ATOM 622 C LEU A 66 -2.240 -19.096 -2.916 1.00 21.84 C ATOM 623 O LEU A 66 -2.506 -20.210 -3.415 1.00 22.59 O ATOM 624 CB LEU A 66 -1.971 -19.256 -0.480 1.00 22.66 C ATOM 625 CG LEU A 66 -2.483 -19.076 0.951 1.00 22.81 C ATOM 626 CD1 LEU A 66 -1.694 -20.005 1.863 1.00 22.85 C ATOM 627 CD2 LEU A 66 -2.387 -17.622 1.412 1.00 22.17 C ATOM 628 H LEU A 66 -4.357 -20.194 -1.570 1.00 0.00 H ATOM 629 N PHE A 67 -1.417 -18.219 -3.475 1.00 22.01 N ATOM 630 CA PHE A 67 -0.688 -18.551 -4.679 1.00 21.85 C ATOM 631 C PHE A 67 0.599 -17.763 -4.839 1.00 22.20 C ATOM 632 O PHE A 67 0.742 -16.660 -4.291 1.00 21.00 O ATOM 633 CB PHE A 67 -1.582 -18.343 -5.908 1.00 21.60 C ATOM 634 CG PHE A 67 -1.624 -16.921 -6.392 1.00 22.03 C ATOM 635 CD1 PHE A 67 -2.431 -15.984 -5.765 1.00 21.76 C ATOM 636 CD2 PHE A 67 -0.830 -16.512 -7.464 1.00 22.46 C ATOM 637 CE1 PHE A 67 -2.460 -14.673 -6.194 1.00 21.47 C ATOM 638 CE2 PHE A 67 -0.865 -15.198 -7.898 1.00 22.66 C ATOM 639 CZ PHE A 67 -1.685 -14.283 -7.260 1.00 22.01 C ATOM 640 H PHE A 67 -1.294 -17.281 -3.042 1.00 0.00 H ATOM 641 N SER A 68 1.511 -18.344 -5.626 1.00 23.81 N ATOM 642 CA SER A 68 2.749 -17.685 -6.061 1.00 26.09 C ATOM 643 C SER A 68 2.989 -17.914 -7.542 1.00 28.95 C ATOM 644 O SER A 68 2.464 -18.866 -8.144 1.00 28.25 O ATOM 645 CB SER A 68 3.966 -18.227 -5.300 1.00 25.77 C ATOM 646 OG SER A 68 4.082 -19.635 -5.475 1.00 26.01 O ATOM 647 HG SER A 68 4.872 -19.964 -4.977 1.00 0.00 H ATOM 648 H SER A 68 1.333 -19.317 -5.948 1.00 0.00 H ATOM 649 N VAL A 69 3.849 -17.062 -8.089 1.00 32.21 N ATOM 650 CA VAL A 69 4.230 -17.087 -9.487 1.00 35.84 C ATOM 651 C VAL A 69 5.756 -17.091 -9.611 1.00 38.61 C ATOM 652 O VAL A 69 6.417 -16.063 -9.393 1.00 38.55 O ATOM 653 CB VAL A 69 3.663 -15.850 -10.232 1.00 36.52 C ATOM 654 CG1 VAL A 69 3.732 -16.053 -11.738 1.00 38.00 C ATOM 655 CG2 VAL A 69 2.229 -15.568 -9.805 1.00 37.31 C ATOM 656 H VAL A 69 4.273 -16.335 -7.479 1.00 0.00 H ATOM 657 N SER A 70 6.307 -18.250 -9.957 1.00 41.75 N ATOM 658 CA SER A 70 7.703 -18.361 -10.351 1.00 43.75 C ATOM 659 C SER A 70 7.772 -18.502 -11.874 1.00 48.90 C ATOM 660 O SER A 70 6.769 -18.340 -12.577 1.00 52.22 O ATOM 661 CB SER A 70 8.360 -19.554 -9.634 1.00 44.62 C ATOM 662 OG SER A 70 8.063 -20.802 -10.248 1.00 45.66 O ATOM 663 HG SER A 70 8.510 -21.530 -9.747 1.00 0.00 H ATOM 664 H SER A 70 5.719 -19.108 -9.946 1.00 0.00 H ATOM 665 N GLU A 71 8.968 -18.773 -12.375 1.00 53.80 N ATOM 666 CA GLU A 71 9.175 -19.125 -13.775 1.00 56.96 C ATOM 667 C GLU A 71 8.547 -20.469 -14.131 1.00 54.80 C ATOM 668 O GLU A 71 8.191 -20.687 -15.288 1.00 53.53 O ATOM 669 CB GLU A 71 10.680 -19.127 -14.122 1.00 64.21 C ATOM 670 CG GLU A 71 11.532 -20.169 -13.388 1.00 68.64 C ATOM 671 CD GLU A 71 13.019 -20.016 -13.664 1.00 72.75 C ATOM 672 OE1 GLU A 71 13.475 -20.439 -14.753 1.00 73.19 O ATOM 673 OE2 GLU A 71 13.736 -19.486 -12.785 1.00 74.75 O ATOM 674 H GLU A 71 9.794 -18.733 -11.744 1.00 0.00 H ATOM 675 N ARG A 72 8.434 -21.373 -13.151 1.00 53.62 N ATOM 676 CA ARG A 72 7.731 -22.665 -13.344 1.00 51.46 C ATOM 677 C ARG A 72 6.222 -22.501 -13.585 1.00 46.38 C ATOM 678 O ARG A 72 5.583 -23.393 -14.162 1.00 45.04 O ATOM 679 CB ARG A 72 7.935 -23.614 -12.144 1.00 55.27 C ATOM 680 CG ARG A 72 9.059 -24.630 -12.294 1.00 58.27 C ATOM 681 CD ARG A 72 9.536 -25.141 -10.941 1.00 60.77 C ATOM 682 NE ARG A 72 10.337 -24.120 -10.266 1.00 64.54 N ATOM 683 CZ ARG A 72 11.642 -23.906 -10.458 1.00 67.77 C ATOM 684 NH1 ARG A 72 12.356 -24.645 -11.312 1.00 65.75 N ATOM 685 NH2 ARG A 72 12.248 -22.927 -9.784 1.00 66.90 N ATOM 686 HE ARG A 72 9.850 -23.510 -9.579 1.00 0.00 H ATOM 687 HH12 ARG A 72 13.370 -24.456 -11.441 1.00 0.00 H ATOM 688 HH11 ARG A 72 11.897 -25.409 -11.848 1.00 0.00 H ATOM 689 HH22 ARG A 72 13.263 -22.750 -9.924 1.00 0.00 H ATOM 690 HH21 ARG A 72 11.705 -22.341 -9.118 1.00 0.00 H ATOM 691 H ARG A 72 8.853 -21.163 -12.223 1.00 0.00 H ATOM 692 N GLY A 73 5.657 -21.389 -13.111 1.00 40.55 N ATOM 693 CA GLY A 73 4.250 -21.073 -13.329 1.00 38.47 C ATOM 694 C GLY A 73 3.538 -20.677 -12.046 1.00 34.51 C ATOM 695 O GLY A 73 4.159 -20.180 -11.100 1.00 34.53 O ATOM 696 H GLY A 73 6.241 -20.723 -12.566 1.00 0.00 H ATOM 697 N ILE A 74 2.230 -20.887 -12.024 1.00 30.23 N ATOM 698 CA ILE A 74 1.417 -20.451 -10.907 1.00 28.54 C ATOM 699 C ILE A 74 1.283 -21.637 -10.009 1.00 26.46 C ATOM 700 O ILE A 74 0.913 -22.719 -10.470 1.00 26.34 O ATOM 701 CB ILE A 74 0.038 -19.959 -11.350 1.00 29.99 C ATOM 702 CG1 ILE A 74 0.178 -18.626 -12.094 1.00 29.40 C ATOM 703 CG2 ILE A 74 -0.901 -19.788 -10.155 1.00 30.53 C ATOM 704 CD1 ILE A 74 -1.035 -18.306 -12.927 1.00 29.49 C ATOM 705 H ILE A 74 1.778 -21.374 -12.824 1.00 0.00 H ATOM 706 N PHE A 75 1.617 -21.434 -8.740 1.00 24.60 N ATOM 707 CA PHE A 75 1.455 -22.456 -7.727 1.00 23.31 C ATOM 708 C PHE A 75 0.260 -22.102 -6.854 1.00 21.96 C ATOM 709 O PHE A 75 0.189 -21.011 -6.328 1.00 22.05 O ATOM 710 CB PHE A 75 2.706 -22.581 -6.875 1.00 22.58 C ATOM 711 CG PHE A 75 2.616 -23.679 -5.864 1.00 22.51 C ATOM 712 CD1 PHE A 75 2.667 -25.017 -6.275 1.00 22.63 C ATOM 713 CD2 PHE A 75 2.455 -23.392 -4.512 1.00 21.91 C ATOM 714 CE1 PHE A 75 2.568 -26.053 -5.344 1.00 22.97 C ATOM 715 CE2 PHE A 75 2.345 -24.420 -3.586 1.00 23.15 C ATOM 716 CZ PHE A 75 2.402 -25.756 -3.999 1.00 22.22 C ATOM 717 H PHE A 75 2.008 -20.510 -8.465 1.00 0.00 H ATOM 718 N CYS A 76 -0.657 -23.046 -6.697 1.00 20.89 N ATOM 719 CA CYS A 76 -1.907 -22.840 -5.977 1.00 19.86 C ATOM 720 C CYS A 76 -1.857 -23.556 -4.659 1.00 20.05 C ATOM 721 O CYS A 76 -1.322 -24.651 -4.569 1.00 19.21 O ATOM 722 CB CYS A 76 -3.081 -23.421 -6.778 1.00 20.28 C ATOM 723 SG CYS A 76 -3.763 -22.339 -8.045 1.00 19.47 S ATOM 724 H CYS A 76 -0.475 -23.983 -7.109 1.00 0.00 H ATOM 725 N ALA A 77 -2.462 -22.956 -3.636 1.00 21.01 N ATOM 726 CA ALA A 77 -2.427 -23.530 -2.295 1.00 20.63 C ATOM 727 C ALA A 77 -3.571 -23.025 -1.448 1.00 20.38 C ATOM 728 O ALA A 77 -4.299 -22.111 -1.834 1.00 19.46 O ATOM 729 CB ALA A 77 -1.100 -23.193 -1.626 1.00 21.11 C ATOM 730 H ALA A 77 -2.969 -22.062 -3.796 1.00 0.00 H ATOM 731 N GLY A 78 -3.717 -23.627 -0.277 1.00 20.07 N ATOM 732 CA GLY A 78 -4.827 -23.298 0.601 1.00 20.42 C ATOM 733 C GLY A 78 -5.110 -24.417 1.560 1.00 19.79 C ATOM 734 O GLY A 78 -4.739 -25.559 1.323 1.00 19.32 O ATOM 735 H GLY A 78 -3.026 -24.346 0.018 1.00 0.00 H ATOM 736 N ARG A 79 -5.764 -24.048 2.652 1.00 19.72 N ATOM 737 CA ARG A 79 -6.080 -24.952 3.746 1.00 19.39 C ATOM 738 C ARG A 79 -7.053 -26.030 3.282 1.00 19.41 C ATOM 739 O ARG A 79 -6.904 -27.194 3.606 1.00 19.58 O ATOM 740 CB ARG A 79 -6.689 -24.133 4.888 1.00 19.42 C ATOM 741 CG ARG A 79 -7.069 -24.894 6.147 1.00 19.34 C ATOM 742 CD ARG A 79 -7.583 -23.922 7.191 1.00 18.88 C ATOM 743 NE ARG A 79 -8.975 -23.558 6.980 1.00 18.77 N ATOM 744 CZ ARG A 79 -9.995 -24.380 7.209 1.00 18.63 C ATOM 745 NH1 ARG A 79 -9.786 -25.627 7.634 1.00 18.19 N ATOM 746 NH2 ARG A 79 -11.223 -23.954 7.006 1.00 18.60 N ATOM 747 HE ARG A 79 -9.185 -22.601 6.630 1.00 0.00 H ATOM 748 HH12 ARG A 79 -10.593 -26.259 7.809 1.00 0.00 H ATOM 749 HH11 ARG A 79 -8.816 -25.967 7.790 1.00 0.00 H ATOM 750 HH22 ARG A 79 -12.029 -24.588 7.182 1.00 0.00 H ATOM 751 HH21 ARG A 79 -11.388 -22.984 6.670 1.00 0.00 H ATOM 752 H ARG A 79 -6.068 -23.057 2.731 1.00 0.00 H ATOM 753 N THR A 80 -8.061 -25.614 2.514 1.00 19.92 N ATOM 754 CA THR A 80 -9.123 -26.522 2.074 1.00 19.56 C ATOM 755 C THR A 80 -9.052 -26.842 0.577 1.00 19.39 C ATOM 756 O THR A 80 -8.511 -26.074 -0.232 1.00 18.56 O ATOM 757 CB THR A 80 -10.504 -25.937 2.379 1.00 19.82 C ATOM 758 OG1 THR A 80 -10.718 -24.775 1.564 1.00 19.45 O ATOM 759 CG2 THR A 80 -10.633 -25.570 3.879 1.00 19.71 C ATOM 760 HG1 THR A 80 -11.611 -24.396 1.760 1.00 0.00 H ATOM 761 H THR A 80 -8.094 -24.617 2.219 1.00 0.00 H ATOM 762 N THR A 81 -9.623 -27.990 0.233 1.00 18.50 N ATOM 763 CA THR A 81 -9.745 -28.424 -1.140 1.00 18.35 C ATOM 764 C THR A 81 -10.521 -27.410 -1.974 1.00 18.42 C ATOM 765 O THR A 81 -10.137 -27.121 -3.119 1.00 18.36 O ATOM 766 CB THR A 81 -10.417 -29.817 -1.216 1.00 18.14 C ATOM 767 OG1 THR A 81 -9.674 -30.739 -0.421 1.00 17.05 O ATOM 768 CG2 THR A 81 -10.435 -30.333 -2.624 1.00 18.17 C ATOM 769 HG1 THR A 81 -10.101 -31.631 -0.467 1.00 0.00 H ATOM 770 H THR A 81 -9.999 -28.604 0.984 1.00 0.00 H ATOM 771 N CYS A 82 -11.583 -26.850 -1.403 1.00 18.00 N ATOM 772 CA CYS A 82 -12.349 -25.812 -2.100 1.00 18.28 C ATOM 773 C CYS A 82 -11.533 -24.571 -2.428 1.00 18.17 C ATOM 774 O CYS A 82 -11.752 -23.941 -3.461 1.00 19.37 O ATOM 775 CB CYS A 82 -13.602 -25.407 -1.306 1.00 18.55 C ATOM 776 SG CYS A 82 -14.938 -26.616 -1.429 1.00 19.79 S ATOM 777 H CYS A 82 -11.874 -27.152 -0.451 1.00 0.00 H ATOM 778 N GLN A 83 -10.641 -24.188 -1.534 1.00 18.54 N ATOM 779 CA GLN A 83 -9.788 -23.009 -1.741 1.00 19.00 C ATOM 780 C GLN A 83 -8.811 -23.275 -2.882 1.00 19.17 C ATOM 781 O GLN A 83 -8.544 -22.397 -3.701 1.00 17.95 O ATOM 782 CB GLN A 83 -8.997 -22.668 -0.463 1.00 18.67 C ATOM 783 CG GLN A 83 -9.839 -22.071 0.653 1.00 18.75 C ATOM 784 CD GLN A 83 -9.138 -22.055 2.021 1.00 19.12 C ATOM 785 OE1 GLN A 83 -8.048 -22.592 2.201 1.00 19.33 O ATOM 786 NE2 GLN A 83 -9.790 -21.470 2.994 1.00 19.18 N ATOM 787 HE22 GLN A 83 -10.711 -21.024 2.808 1.00 0.00 H ATOM 788 HE21 GLN A 83 -9.387 -21.451 3.952 1.00 0.00 H ATOM 789 H GLN A 83 -10.539 -24.737 -0.657 1.00 0.00 H ATOM 790 N ARG A 84 -8.274 -24.498 -2.907 1.00 19.55 N ATOM 791 CA ARG A 84 -7.310 -24.898 -3.928 1.00 19.71 C ATOM 792 C ARG A 84 -8.010 -25.029 -5.288 1.00 18.31 C ATOM 793 O ARG A 84 -7.470 -24.643 -6.330 1.00 18.07 O ATOM 794 CB ARG A 84 -6.576 -26.170 -3.494 1.00 20.69 C ATOM 795 CG ARG A 84 -5.721 -25.976 -2.227 1.00 22.15 C ATOM 796 CD ARG A 84 -5.231 -27.293 -1.586 1.00 23.61 C ATOM 797 NE ARG A 84 -4.265 -27.949 -2.456 1.00 25.13 N ATOM 798 CZ ARG A 84 -3.473 -28.978 -2.137 1.00 27.43 C ATOM 799 NH1 ARG A 84 -3.485 -29.540 -0.915 1.00 27.88 N ATOM 800 NH2 ARG A 84 -2.648 -29.464 -3.078 1.00 26.54 N ATOM 801 HE ARG A 84 -4.183 -27.579 -3.425 1.00 0.00 H ATOM 802 HH12 ARG A 84 -2.854 -30.339 -0.704 1.00 0.00 H ATOM 803 HH11 ARG A 84 -4.125 -29.175 -0.181 1.00 0.00 H ATOM 804 HH22 ARG A 84 -2.021 -30.264 -2.857 1.00 0.00 H ATOM 805 HH21 ARG A 84 -2.636 -29.041 -4.028 1.00 0.00 H ATOM 806 H ARG A 84 -8.551 -25.186 -2.178 1.00 0.00 H ATOM 807 N LEU A 85 -9.239 -25.511 -5.265 1.00 17.55 N ATOM 808 CA LEU A 85 -10.049 -25.591 -6.491 1.00 17.41 C ATOM 809 C LEU A 85 -10.342 -24.223 -7.070 1.00 17.50 C ATOM 810 O LEU A 85 -10.248 -24.009 -8.281 1.00 17.68 O ATOM 811 CB LEU A 85 -11.358 -26.309 -6.198 1.00 17.33 C ATOM 812 CG LEU A 85 -11.277 -27.831 -6.140 1.00 17.42 C ATOM 813 CD1 LEU A 85 -12.528 -28.424 -5.500 1.00 17.59 C ATOM 814 CD2 LEU A 85 -11.116 -28.391 -7.540 1.00 17.79 C ATOM 815 H LEU A 85 -9.642 -25.840 -4.364 1.00 0.00 H ATOM 816 N THR A 86 -10.689 -23.278 -6.201 1.00 17.31 N ATOM 817 CA THR A 86 -10.937 -21.913 -6.650 1.00 16.85 C ATOM 818 C THR A 86 -9.716 -21.344 -7.344 1.00 17.31 C ATOM 819 O THR A 86 -9.828 -20.812 -8.437 1.00 17.26 O ATOM 820 CB THR A 86 -11.353 -21.019 -5.496 1.00 16.25 C ATOM 821 OG1 THR A 86 -12.425 -21.644 -4.776 1.00 15.56 O ATOM 822 CG2 THR A 86 -11.805 -19.648 -6.005 1.00 16.36 C ATOM 823 HG1 THR A 86 -12.120 -22.518 -4.426 1.00 0.00 H ATOM 824 H THR A 86 -10.784 -23.515 -5.193 1.00 0.00 H ATOM 825 N CYS A 87 -8.547 -21.504 -6.721 1.00 18.21 N ATOM 826 CA CYS A 87 -7.279 -21.059 -7.309 1.00 18.42 C ATOM 827 C CYS A 87 -7.031 -21.682 -8.684 1.00 18.64 C ATOM 828 O CYS A 87 -6.527 -21.002 -9.580 1.00 18.17 O ATOM 829 CB CYS A 87 -6.104 -21.394 -6.378 1.00 18.70 C ATOM 830 SG CYS A 87 -4.500 -20.786 -6.942 1.00 18.87 S ATOM 831 H CYS A 87 -8.534 -21.960 -5.786 1.00 0.00 H ATOM 832 N GLU A 88 -7.355 -22.974 -8.833 1.00 19.17 N ATOM 833 CA GLU A 88 -7.195 -23.668 -10.110 1.00 19.24 C ATOM 834 C GLU A 88 -8.092 -23.109 -11.208 1.00 18.78 C ATOM 835 O GLU A 88 -7.623 -22.903 -12.342 1.00 18.00 O ATOM 836 CB GLU A 88 -7.433 -25.183 -9.987 1.00 20.29 C ATOM 837 CG GLU A 88 -6.370 -25.938 -9.194 1.00 21.55 C ATOM 838 CD GLU A 88 -4.976 -25.864 -9.799 1.00 22.29 C ATOM 839 OE1 GLU A 88 -4.868 -25.961 -11.032 1.00 22.10 O ATOM 840 OE2 GLU A 88 -3.996 -25.731 -9.018 1.00 22.99 O ATOM 841 H GLU A 88 -7.731 -23.498 -8.017 1.00 0.00 H ATOM 842 N CYS A 89 -9.370 -22.904 -10.896 1.00 18.48 N ATOM 843 CA CYS A 89 -10.263 -22.197 -11.819 1.00 19.21 C ATOM 844 C CYS A 89 -9.667 -20.841 -12.217 1.00 19.14 C ATOM 845 O CYS A 89 -9.612 -20.531 -13.391 1.00 18.56 O ATOM 846 CB CYS A 89 -11.659 -21.964 -11.224 1.00 19.26 C ATOM 847 SG CYS A 89 -12.713 -23.425 -11.075 1.00 18.93 S ATOM 848 H CYS A 89 -9.739 -23.249 -9.987 1.00 0.00 H ATOM 849 N ASP A 90 -9.221 -20.057 -11.238 1.00 19.23 N ATOM 850 CA ASP A 90 -8.676 -18.721 -11.519 1.00 20.13 C ATOM 851 C ASP A 90 -7.402 -18.782 -12.367 1.00 21.32 C ATOM 852 O ASP A 90 -7.199 -17.970 -13.264 1.00 20.23 O ATOM 853 CB ASP A 90 -8.357 -18.013 -10.216 1.00 19.94 C ATOM 854 CG ASP A 90 -9.596 -17.588 -9.460 1.00 20.17 C ATOM 855 OD1 ASP A 90 -10.745 -17.863 -9.870 1.00 20.12 O ATOM 856 OD2 ASP A 90 -9.412 -16.938 -8.435 1.00 21.09 O ATOM 857 H ASP A 90 -9.259 -20.396 -10.256 1.00 0.00 H ATOM 858 N LYS A 91 -6.558 -19.766 -12.059 1.00 21.92 N ATOM 859 CA LYS A 91 -5.272 -19.943 -12.713 1.00 22.97 C ATOM 860 C LYS A 91 -5.470 -20.178 -14.201 1.00 24.65 C ATOM 861 O LYS A 91 -4.888 -19.473 -15.039 1.00 24.62 O ATOM 862 CB LYS A 91 -4.522 -21.115 -12.057 1.00 22.49 C ATOM 863 CG LYS A 91 -3.286 -21.585 -12.800 1.00 22.21 C ATOM 864 CD LYS A 91 -2.600 -22.741 -12.099 1.00 22.21 C ATOM 865 CE LYS A 91 -1.991 -23.724 -13.083 1.00 21.49 C ATOM 866 NZ LYS A 91 -0.940 -24.487 -12.384 1.00 22.80 N ATOM 867 HZ1 LYS A 91 -0.211 -23.832 -12.036 1.00 0.00 H ATOM 868 HZ2 LYS A 91 -1.360 -24.998 -11.582 1.00 0.00 H ATOM 869 HZ3 LYS A 91 -0.510 -25.167 -13.043 1.00 0.00 H ATOM 870 H LYS A 91 -6.832 -20.439 -11.315 1.00 0.00 H ATOM 871 N ARG A 92 -6.306 -21.160 -14.517 1.00 25.59 N ATOM 872 CA ARG A 92 -6.639 -21.475 -15.897 1.00 26.94 C ATOM 873 C ARG A 92 -7.194 -20.230 -16.629 1.00 25.14 C ATOM 874 O ARG A 92 -6.881 -20.000 -17.783 1.00 25.08 O ATOM 875 CB ARG A 92 -7.600 -22.674 -15.948 1.00 29.87 C ATOM 876 CG ARG A 92 -7.712 -23.336 -17.311 1.00 34.08 C ATOM 877 CD ARG A 92 -8.588 -24.599 -17.297 1.00 39.06 C ATOM 878 NE ARG A 92 -8.237 -25.558 -16.222 1.00 41.74 N ATOM 879 CZ ARG A 92 -8.951 -25.810 -15.115 1.00 42.56 C ATOM 880 NH1 ARG A 92 -10.114 -25.203 -14.864 1.00 47.23 N ATOM 881 NH2 ARG A 92 -8.502 -26.702 -14.243 1.00 40.82 N ATOM 882 HE ARG A 92 -7.349 -26.088 -16.338 1.00 0.00 H ATOM 883 HH12 ARG A 92 -10.639 -25.425 -13.994 1.00 0.00 H ATOM 884 HH11 ARG A 92 -10.494 -24.509 -15.538 1.00 0.00 H ATOM 885 HH22 ARG A 92 -9.047 -26.906 -13.381 1.00 0.00 H ATOM 886 HH21 ARG A 92 -7.605 -27.198 -14.421 1.00 0.00 H ATOM 887 H ARG A 92 -6.736 -21.721 -13.754 1.00 0.00 H ATOM 888 N ALA A 93 -7.974 -19.403 -15.940 1.00 23.61 N ATOM 889 CA ALA A 93 -8.472 -18.151 -16.522 1.00 22.56 C ATOM 890 C ALA A 93 -7.363 -17.115 -16.776 1.00 21.78 C ATOM 891 O ALA A 93 -7.348 -16.452 -17.816 1.00 20.36 O ATOM 892 CB ALA A 93 -9.568 -17.560 -15.635 1.00 22.38 C ATOM 893 H ALA A 93 -8.238 -19.649 -14.965 1.00 0.00 H ATOM 894 N ALA A 94 -6.461 -16.961 -15.807 1.00 21.05 N ATOM 895 CA ALA A 94 -5.379 -16.009 -15.914 1.00 21.28 C ATOM 896 C ALA A 94 -4.447 -16.404 -17.041 1.00 21.85 C ATOM 897 O ALA A 94 -4.002 -15.543 -17.813 1.00 23.11 O ATOM 898 CB ALA A 94 -4.615 -15.916 -14.596 1.00 22.25 C ATOM 899 H ALA A 94 -6.538 -17.543 -14.949 1.00 0.00 H ATOM 900 N LEU A 95 -4.171 -17.706 -17.147 1.00 21.77 N ATOM 901 CA LEU A 95 -3.327 -18.246 -18.218 1.00 21.50 C ATOM 902 C LEU A 95 -3.989 -18.090 -19.584 1.00 21.43 C ATOM 903 O LEU A 95 -3.327 -17.766 -20.576 1.00 20.53 O ATOM 904 CB LEU A 95 -2.997 -19.730 -17.972 1.00 21.87 C ATOM 905 CG LEU A 95 -1.971 -20.080 -16.869 1.00 22.73 C ATOM 906 CD1 LEU A 95 -1.945 -21.587 -16.597 1.00 22.45 C ATOM 907 CD2 LEU A 95 -0.564 -19.597 -17.192 1.00 22.38 C ATOM 908 H LEU A 95 -4.569 -18.361 -16.444 1.00 0.00 H ATOM 909 N CYS A 96 -5.287 -18.360 -19.631 1.00 20.72 N ATOM 910 CA CYS A 96 -6.076 -18.127 -20.831 1.00 21.29 C ATOM 911 C CYS A 96 -6.017 -16.624 -21.232 1.00 21.94 C ATOM 912 O CYS A 96 -5.823 -16.317 -22.406 1.00 21.09 O ATOM 913 CB CYS A 96 -7.516 -18.612 -20.593 1.00 21.00 C ATOM 914 SG CYS A 96 -8.632 -18.646 -22.016 1.00 21.19 S ATOM 915 H CYS A 96 -5.753 -18.749 -18.787 1.00 0.00 H ATOM 916 N PHE A 97 -6.138 -15.703 -20.265 1.00 21.42 N ATOM 917 CA PHE A 97 -6.029 -14.255 -20.579 1.00 22.63 C ATOM 918 C PHE A 97 -4.664 -13.894 -21.161 1.00 24.50 C ATOM 919 O PHE A 97 -4.603 -13.239 -22.197 1.00 24.24 O ATOM 920 CB PHE A 97 -6.269 -13.350 -19.370 1.00 20.77 C ATOM 921 CG PHE A 97 -7.647 -13.408 -18.790 1.00 19.61 C ATOM 922 CD1 PHE A 97 -8.794 -13.551 -19.596 1.00 19.45 C ATOM 923 CD2 PHE A 97 -7.815 -13.227 -17.420 1.00 19.21 C ATOM 924 CE1 PHE A 97 -10.064 -13.559 -19.030 1.00 18.65 C ATOM 925 CE2 PHE A 97 -9.085 -13.219 -16.845 1.00 19.45 C ATOM 926 CZ PHE A 97 -10.215 -13.376 -17.657 1.00 19.13 C ATOM 927 H PHE A 97 -6.310 -16.005 -19.285 1.00 0.00 H ATOM 928 N ARG A 98 -3.587 -14.327 -20.494 1.00 27.10 N ATOM 929 CA ARG A 98 -2.221 -14.136 -21.003 1.00 28.79 C ATOM 930 C ARG A 98 -2.076 -14.649 -22.422 1.00 29.21 C ATOM 931 O ARG A 98 -1.583 -13.933 -23.310 1.00 30.27 O ATOM 932 CB ARG A 98 -1.158 -14.841 -20.138 1.00 30.61 C ATOM 933 CG ARG A 98 0.280 -14.578 -20.623 1.00 32.84 C ATOM 934 CD ARG A 98 1.383 -15.056 -19.679 1.00 35.08 C ATOM 935 NE ARG A 98 1.536 -16.510 -19.735 1.00 38.87 N ATOM 936 CZ ARG A 98 2.405 -17.230 -19.012 1.00 41.01 C ATOM 937 NH1 ARG A 98 3.247 -16.632 -18.165 1.00 42.87 N ATOM 938 NH2 ARG A 98 2.433 -18.562 -19.134 1.00 37.42 N ATOM 939 HE ARG A 98 0.918 -17.029 -20.391 1.00 0.00 H ATOM 940 HH12 ARG A 98 3.917 -17.201 -17.609 1.00 0.00 H ATOM 941 HH11 ARG A 98 3.233 -15.597 -18.061 1.00 0.00 H ATOM 942 HH22 ARG A 98 3.107 -19.121 -18.573 1.00 0.00 H ATOM 943 HH21 ARG A 98 1.781 -19.038 -19.789 1.00 0.00 H ATOM 944 H ARG A 98 -3.721 -14.815 -19.585 1.00 0.00 H ATOM 945 N ARG A 99 -2.490 -15.893 -22.616 1.00 27.55 N ATOM 946 CA ARG A 99 -2.314 -16.587 -23.877 1.00 30.60 C ATOM 947 C ARG A 99 -3.025 -15.874 -25.055 1.00 31.82 C ATOM 948 O ARG A 99 -2.557 -15.890 -26.185 1.00 30.84 O ATOM 949 CB ARG A 99 -2.836 -18.020 -23.713 1.00 32.14 C ATOM 950 CG ARG A 99 -2.640 -18.947 -24.886 1.00 32.17 C ATOM 951 CD ARG A 99 -3.025 -20.367 -24.475 1.00 33.51 C ATOM 952 NE ARG A 99 -4.481 -20.531 -24.337 1.00 33.52 N ATOM 953 CZ ARG A 99 -5.159 -20.877 -23.233 1.00 31.87 C ATOM 954 NH1 ARG A 99 -4.557 -21.117 -22.064 1.00 30.87 N ATOM 955 NH2 ARG A 99 -6.489 -20.986 -23.306 1.00 31.84 N ATOM 956 HE ARG A 99 -5.048 -20.359 -25.192 1.00 0.00 H ATOM 957 HH12 ARG A 99 -5.123 -21.383 -21.233 1.00 0.00 H ATOM 958 HH11 ARG A 99 -3.523 -21.038 -21.986 1.00 0.00 H ATOM 959 HH22 ARG A 99 -7.036 -21.253 -22.463 1.00 0.00 H ATOM 960 HH21 ARG A 99 -6.977 -20.804 -24.206 1.00 0.00 H ATOM 961 H ARG A 99 -2.960 -16.391 -21.833 1.00 0.00 H ATOM 962 N ASN A 100 -4.142 -15.227 -24.767 1.00 31.29 N ATOM 963 CA ASN A 100 -4.892 -14.527 -25.787 1.00 32.39 C ATOM 964 C ASN A 100 -4.658 -13.035 -25.722 1.00 31.71 C ATOM 965 O ASN A 100 -5.471 -12.272 -26.224 1.00 31.99 O ATOM 966 CB ASN A 100 -6.379 -14.880 -25.643 1.00 31.12 C ATOM 967 CG ASN A 100 -6.642 -16.311 -26.018 1.00 31.79 C ATOM 968 OD1 ASN A 100 -6.478 -16.680 -27.190 1.00 31.99 O ATOM 969 ND2 ASN A 100 -7.010 -17.143 -25.035 1.00 29.81 N ATOM 970 HD22 ASN A 100 -7.134 -16.782 -24.068 1.00 0.00 H ATOM 971 HD21 ASN A 100 -7.172 -18.150 -25.239 1.00 0.00 H ATOM 972 H ASN A 100 -4.489 -15.221 -23.786 1.00 0.00 H ATOM 973 N LEU A 101 -3.532 -12.608 -25.152 1.00 32.71 N ATOM 974 CA LEU A 101 -3.206 -11.177 -25.143 1.00 34.39 C ATOM 975 C LEU A 101 -3.181 -10.576 -26.540 1.00 34.42 C ATOM 976 O LEU A 101 -3.476 -9.394 -26.679 1.00 34.03 O ATOM 977 CB LEU A 101 -1.874 -10.890 -24.443 1.00 35.13 C ATOM 978 CG LEU A 101 -1.986 -10.811 -22.921 1.00 37.55 C ATOM 979 CD1 LEU A 101 -0.593 -10.693 -22.308 1.00 37.79 C ATOM 980 CD2 LEU A 101 -2.892 -9.667 -22.472 1.00 37.85 C ATOM 981 H LEU A 101 -2.882 -13.291 -24.712 1.00 0.00 H ATOM 982 N GLY A 102 -2.829 -11.391 -27.544 1.00 33.64 N ATOM 983 CA GLY A 102 -2.777 -10.983 -28.943 1.00 33.48 C ATOM 984 C GLY A 102 -4.051 -10.420 -29.541 1.00 33.91 C ATOM 985 O GLY A 102 -3.982 -9.534 -30.397 1.00 34.43 O ATOM 986 H GLY A 102 -2.578 -12.373 -27.311 1.00 0.00 H ATOM 987 N THR A 103 -5.206 -10.926 -29.098 1.00 32.12 N ATOM 988 CA THR A 103 -6.510 -10.504 -29.629 1.00 29.89 C ATOM 989 C THR A 103 -7.329 -9.685 -28.641 1.00 28.81 C ATOM 990 O THR A 103 -8.464 -9.334 -28.927 1.00 26.54 O ATOM 991 CB THR A 103 -7.336 -11.729 -30.080 1.00 30.30 C ATOM 992 OG1 THR A 103 -7.661 -12.557 -28.948 1.00 28.10 O ATOM 993 CG2 THR A 103 -6.550 -12.533 -31.145 1.00 29.52 C ATOM 994 HG1 THR A 103 -8.191 -12.031 -28.297 1.00 0.00 H ATOM 995 H THR A 103 -5.181 -11.646 -28.348 1.00 0.00 H ATOM 996 N TYR A 104 -6.775 -9.402 -27.466 1.00 30.46 N ATOM 997 CA TYR A 104 -7.421 -8.472 -26.542 1.00 32.42 C ATOM 998 C TYR A 104 -7.669 -7.145 -27.285 1.00 34.41 C ATOM 999 O TYR A 104 -6.730 -6.577 -27.844 1.00 33.84 O ATOM 1000 CB TYR A 104 -6.552 -8.220 -25.297 1.00 30.49 C ATOM 1001 CG TYR A 104 -7.245 -7.359 -24.281 1.00 29.74 C ATOM 1002 CD1 TYR A 104 -7.256 -5.958 -24.405 1.00 29.49 C ATOM 1003 CD2 TYR A 104 -7.916 -7.927 -23.200 1.00 30.19 C ATOM 1004 CE1 TYR A 104 -7.912 -5.157 -23.488 1.00 28.58 C ATOM 1005 CE2 TYR A 104 -8.570 -7.130 -22.268 1.00 30.28 C ATOM 1006 CZ TYR A 104 -8.569 -5.744 -22.426 1.00 30.37 C ATOM 1007 OH TYR A 104 -9.229 -4.950 -21.521 1.00 30.86 O ATOM 1008 HH TYR A 104 -10.189 -5.190 -21.512 1.00 0.00 H ATOM 1009 H TYR A 104 -5.873 -9.847 -27.202 1.00 0.00 H ATOM 1010 N ASN A 105 -8.920 -6.677 -27.291 1.00 36.73 N ATOM 1011 CA ASN A 105 -9.296 -5.418 -27.942 1.00 39.54 C ATOM 1012 C ASN A 105 -10.004 -4.515 -26.943 1.00 42.92 C ATOM 1013 O ASN A 105 -10.986 -4.928 -26.292 1.00 40.60 O ATOM 1014 CB ASN A 105 -10.212 -5.688 -29.132 1.00 41.04 C ATOM 1015 CG ASN A 105 -10.521 -4.434 -29.939 1.00 41.50 C ATOM 1016 OD1 ASN A 105 -10.881 -3.394 -29.386 1.00 40.89 O ATOM 1017 ND2 ASN A 105 -10.417 -4.543 -31.262 1.00 41.41 N ATOM 1018 HD22 ASN A 105 -10.109 -5.441 -31.687 1.00 0.00 H ATOM 1019 HD21 ASN A 105 -10.644 -3.730 -31.870 1.00 0.00 H ATOM 1020 H ASN A 105 -9.660 -7.230 -26.813 1.00 0.00 H ATOM 1021 N ARG A 106 -9.526 -3.272 -26.864 1.00 45.07 N ATOM 1022 CA ARG A 106 -10.060 -2.283 -25.917 1.00 46.83 C ATOM 1023 C ARG A 106 -11.531 -1.933 -26.145 1.00 41.96 C ATOM 1024 O ARG A 106 -12.226 -1.587 -25.175 1.00 36.36 O ATOM 1025 CB ARG A 106 -9.197 -1.006 -25.906 1.00 51.66 C ATOM 1026 CG ARG A 106 -8.055 -1.001 -24.884 1.00 55.01 C ATOM 1027 CD ARG A 106 -6.706 -0.570 -25.462 1.00 60.05 C ATOM 1028 NE ARG A 106 -6.817 0.419 -26.537 1.00 64.37 N ATOM 1029 CZ ARG A 106 -5.852 0.726 -27.408 1.00 70.62 C ATOM 1030 NH1 ARG A 106 -4.648 0.152 -27.343 1.00 72.55 N ATOM 1031 NH2 ARG A 106 -6.093 1.635 -28.358 1.00 73.76 N ATOM 1032 HE ARG A 106 -7.722 0.924 -26.630 1.00 0.00 H ATOM 1033 HH12 ARG A 106 -3.912 0.407 -28.032 1.00 0.00 H ATOM 1034 HH11 ARG A 106 -4.446 -0.550 -26.603 1.00 0.00 H ATOM 1035 HH22 ARG A 106 -5.349 1.882 -29.042 1.00 0.00 H ATOM 1036 HH21 ARG A 106 -7.024 2.095 -28.413 1.00 0.00 H ATOM 1037 H ARG A 106 -8.748 -2.993 -27.495 1.00 0.00 H ATOM 1038 N LYS A 107 -11.998 -2.043 -27.396 1.00 40.33 N ATOM 1039 CA LYS A 107 -13.421 -1.838 -27.718 1.00 41.04 C ATOM 1040 C LYS A 107 -14.369 -2.763 -26.936 1.00 40.51 C ATOM 1041 O LYS A 107 -15.506 -2.386 -26.671 1.00 43.49 O ATOM 1042 CB LYS A 107 -13.696 -1.948 -29.234 1.00 42.87 C ATOM 1043 CG LYS A 107 -14.057 -3.335 -29.765 1.00 45.79 C ATOM 1044 CD LYS A 107 -14.415 -3.286 -31.249 1.00 48.18 C ATOM 1045 CE LYS A 107 -14.193 -4.625 -31.942 1.00 47.89 C ATOM 1046 NZ LYS A 107 -14.883 -4.740 -33.257 1.00 47.53 N ATOM 1047 HZ1 LYS A 107 -15.908 -4.627 -33.120 1.00 0.00 H ATOM 1048 HZ2 LYS A 107 -14.534 -3.998 -33.896 1.00 0.00 H ATOM 1049 HZ3 LYS A 107 -14.688 -5.675 -33.669 1.00 0.00 H ATOM 1050 H LYS A 107 -11.336 -2.280 -28.163 1.00 0.00 H ATOM 1051 N TYR A 108 -13.921 -3.967 -26.584 1.00 38.59 N ATOM 1052 CA TYR A 108 -14.753 -4.882 -25.804 1.00 38.00 C ATOM 1053 C TYR A 108 -14.735 -4.639 -24.293 1.00 38.97 C ATOM 1054 O TYR A 108 -15.585 -5.169 -23.581 1.00 36.92 O ATOM 1055 CB TYR A 108 -14.393 -6.329 -26.119 1.00 37.27 C ATOM 1056 CG TYR A 108 -14.710 -6.733 -27.553 1.00 36.81 C ATOM 1057 CD1 TYR A 108 -16.011 -6.644 -28.056 1.00 36.58 C ATOM 1058 CD2 TYR A 108 -13.715 -7.228 -28.401 1.00 36.95 C ATOM 1059 CE1 TYR A 108 -16.305 -7.024 -29.354 1.00 36.99 C ATOM 1060 CE2 TYR A 108 -14.004 -7.616 -29.700 1.00 34.90 C ATOM 1061 CZ TYR A 108 -15.296 -7.513 -30.168 1.00 35.48 C ATOM 1062 OH TYR A 108 -15.580 -7.879 -31.457 1.00 36.26 O ATOM 1063 HH TYR A 108 -16.545 -7.745 -31.632 1.00 0.00 H ATOM 1064 H TYR A 108 -12.965 -4.261 -26.868 1.00 0.00 H ATOM 1065 N ALA A 109 -13.794 -3.842 -23.793 1.00 41.42 N ATOM 1066 CA ALA A 109 -13.827 -3.433 -22.383 1.00 43.65 C ATOM 1067 C ALA A 109 -15.028 -2.496 -22.130 1.00 46.31 C ATOM 1068 O ALA A 109 -15.302 -1.590 -22.927 1.00 44.81 O ATOM 1069 CB ALA A 109 -12.523 -2.767 -21.975 1.00 43.53 C ATOM 1070 H ALA A 109 -13.026 -3.505 -24.408 1.00 0.00 H ATOM 1071 N HIS A 110 -15.748 -2.756 -21.038 1.00 45.73 N ATOM 1072 CA HIS A 110 -16.953 -2.022 -20.684 1.00 49.28 C ATOM 1073 C HIS A 110 -18.002 -2.159 -21.781 1.00 49.02 C ATOM 1074 O HIS A 110 -18.507 -1.164 -22.332 1.00 49.87 O ATOM 1075 CB HIS A 110 -16.622 -0.553 -20.369 1.00 52.48 C ATOM 1076 CG HIS A 110 -15.504 -0.391 -19.387 1.00 54.80 C ATOM 1077 ND1 HIS A 110 -15.526 -0.967 -18.134 1.00 58.05 N ATOM 1078 CD2 HIS A 110 -14.328 0.272 -19.475 1.00 58.12 C ATOM 1079 CE1 HIS A 110 -14.412 -0.666 -17.493 1.00 59.77 C ATOM 1080 NE2 HIS A 110 -13.672 0.092 -18.283 1.00 61.12 N ATOM 1081 H HIS A 110 -15.432 -3.521 -20.408 1.00 0.00 H ATOM 1082 N TYR A 111 -18.326 -3.412 -22.083 1.00 48.06 N ATOM 1083 CA TYR A 111 -19.196 -3.722 -23.203 1.00 48.26 C ATOM 1084 C TYR A 111 -20.645 -3.476 -22.815 1.00 50.60 C ATOM 1085 O TYR A 111 -21.098 -4.010 -21.797 1.00 49.11 O ATOM 1086 CB TYR A 111 -19.021 -5.163 -23.646 1.00 45.59 C ATOM 1087 CG TYR A 111 -19.343 -5.410 -25.104 1.00 46.30 C ATOM 1088 CD1 TYR A 111 -18.762 -4.642 -26.114 1.00 45.35 C ATOM 1089 CD2 TYR A 111 -20.207 -6.439 -25.482 1.00 46.95 C ATOM 1090 CE1 TYR A 111 -19.055 -4.876 -27.450 1.00 45.36 C ATOM 1091 CE2 TYR A 111 -20.494 -6.682 -26.817 1.00 45.75 C ATOM 1092 CZ TYR A 111 -19.911 -5.903 -27.793 1.00 44.75 C ATOM 1093 OH TYR A 111 -20.187 -6.151 -29.111 1.00 45.27 O ATOM 1094 HH TYR A 111 -19.692 -5.507 -29.677 1.00 0.00 H ATOM 1095 H TYR A 111 -17.948 -4.188 -21.504 1.00 0.00 H ATOM 1096 N PRO A 112 -21.368 -2.642 -23.599 1.00 51.66 N ATOM 1097 CA PRO A 112 -22.798 -2.526 -23.317 1.00 53.03 C ATOM 1098 C PRO A 112 -23.482 -3.889 -23.456 1.00 54.21 C ATOM 1099 O PRO A 112 -23.380 -4.534 -24.508 1.00 51.24 O ATOM 1100 CB PRO A 112 -23.310 -1.515 -24.364 1.00 52.07 C ATOM 1101 CG PRO A 112 -22.180 -1.263 -25.299 1.00 51.26 C ATOM 1102 CD PRO A 112 -20.917 -1.668 -24.612 1.00 50.78 C ATOM 1103 N ASN A 113 -24.160 -4.312 -22.391 1.00 54.15 N ATOM 1104 CA ASN A 113 -24.763 -5.650 -22.324 1.00 54.68 C ATOM 1105 C ASN A 113 -25.903 -5.835 -23.372 1.00 55.26 C ATOM 1106 O ASN A 113 -26.219 -6.959 -23.781 1.00 51.54 O ATOM 1107 CB ASN A 113 -25.232 -5.941 -20.880 1.00 55.96 C ATOM 1108 CG ASN A 113 -24.833 -7.330 -20.395 1.00 57.81 C ATOM 1109 OD1 ASN A 113 -23.845 -7.501 -19.664 1.00 52.49 O ATOM 1110 ND2 ASN A 113 -25.603 -8.334 -20.806 1.00 59.38 N ATOM 1111 HD22 ASN A 113 -26.422 -8.144 -21.419 1.00 0.00 H ATOM 1112 HD21 ASN A 113 -25.386 -9.309 -20.515 1.00 0.00 H ATOM 1113 H ASN A 113 -24.266 -3.673 -21.578 1.00 0.00 H ATOM 1114 N LYS A 114 -26.470 -4.721 -23.836 1.00 55.69 N ATOM 1115 CA LYS A 114 -27.447 -4.713 -24.933 1.00 56.69 C ATOM 1116 C LYS A 114 -26.853 -5.200 -26.260 1.00 50.99 C ATOM 1117 O LYS A 114 -27.585 -5.643 -27.139 1.00 48.07 O ATOM 1118 CB LYS A 114 -28.040 -3.297 -25.118 1.00 61.03 C ATOM 1119 CG LYS A 114 -28.773 -2.737 -23.882 1.00 65.37 C ATOM 1120 CD LYS A 114 -30.303 -2.850 -23.928 1.00 64.82 C ATOM 1121 CE LYS A 114 -30.976 -1.521 -24.275 1.00 62.14 C ATOM 1122 NZ LYS A 114 -32.453 -1.581 -24.108 1.00 59.09 N ATOM 1123 HZ1 LYS A 114 -32.842 -2.315 -24.734 1.00 0.00 H ATOM 1124 HZ2 LYS A 114 -32.680 -1.811 -23.119 1.00 0.00 H ATOM 1125 HZ3 LYS A 114 -32.866 -0.659 -24.354 1.00 0.00 H ATOM 1126 H LYS A 114 -26.208 -3.814 -23.400 1.00 0.00 H ATOM 1127 N LEU A 115 -25.532 -5.131 -26.392 1.00 46.11 N ATOM 1128 CA LEU A 115 -24.841 -5.529 -27.619 1.00 43.36 C ATOM 1129 C LEU A 115 -24.531 -7.047 -27.652 1.00 40.21 C ATOM 1130 O LEU A 115 -24.008 -7.562 -28.646 1.00 34.28 O ATOM 1131 CB LEU A 115 -23.563 -4.672 -27.777 1.00 44.01 C ATOM 1132 CG LEU A 115 -23.136 -4.105 -29.143 1.00 46.67 C ATOM 1133 CD1 LEU A 115 -24.315 -3.629 -29.979 1.00 46.92 C ATOM 1134 CD2 LEU A 115 -22.138 -2.962 -28.961 1.00 47.02 C ATOM 1135 H LEU A 115 -24.968 -4.780 -25.592 1.00 0.00 H ATOM 1136 N CYS A 116 -24.856 -7.757 -26.570 1.00 39.37 N ATOM 1137 CA CYS A 116 -24.697 -9.215 -26.511 1.00 39.12 C ATOM 1138 C CYS A 116 -25.899 -9.939 -27.117 1.00 37.38 C ATOM 1139 O CYS A 116 -27.009 -9.853 -26.596 1.00 38.25 O ATOM 1140 CB CYS A 116 -24.520 -9.688 -25.063 1.00 38.95 C ATOM 1141 SG CYS A 116 -22.996 -9.145 -24.255 1.00 38.66 S ATOM 1142 H CYS A 116 -25.235 -7.260 -25.739 1.00 0.00 H ATOM 1143 N THR A 117 -25.643 -10.685 -28.187 1.00 36.34 N ATOM 1144 CA THR A 117 -26.671 -11.402 -28.935 1.00 37.57 C ATOM 1145 C THR A 117 -26.235 -12.839 -29.243 1.00 37.56 C ATOM 1146 O THR A 117 -25.060 -13.192 -29.066 1.00 36.75 O ATOM 1147 CB THR A 117 -26.928 -10.705 -30.283 1.00 35.79 C ATOM 1148 OG1 THR A 117 -25.678 -10.569 -30.985 1.00 32.98 O ATOM 1149 CG2 THR A 117 -27.586 -9.336 -30.054 1.00 35.32 C ATOM 1150 HG1 THR A 117 -25.836 -10.121 -31.854 1.00 0.00 H ATOM 1151 H THR A 117 -24.657 -10.762 -28.509 1.00 0.00 H ATOM 1152 N GLY A 118 -27.192 -13.639 -29.722 1.00 34.16 N ATOM 1153 CA GLY A 118 -26.972 -15.041 -30.032 1.00 34.28 C ATOM 1154 C GLY A 118 -27.500 -15.950 -28.929 1.00 35.23 C ATOM 1155 O GLY A 118 -28.146 -15.480 -27.972 1.00 34.68 O ATOM 1156 H GLY A 118 -28.139 -13.239 -29.880 1.00 0.00 H ATOM 1157 N PRO A 119 -27.242 -17.264 -29.068 1.00 35.27 N ATOM 1158 CA PRO A 119 -27.524 -18.225 -28.013 1.00 36.35 C ATOM 1159 C PRO A 119 -26.450 -18.153 -26.943 1.00 36.96 C ATOM 1160 O PRO A 119 -25.403 -17.546 -27.161 1.00 36.12 O ATOM 1161 CB PRO A 119 -27.436 -19.577 -28.732 1.00 35.59 C ATOM 1162 CG PRO A 119 -26.462 -19.350 -29.840 1.00 35.93 C ATOM 1163 CD PRO A 119 -26.516 -17.886 -30.196 1.00 35.75 C ATOM 1164 N THR A 120 -26.725 -18.788 -25.809 1.00 37.65 N ATOM 1165 CA THR A 120 -25.757 -18.962 -24.743 1.00 35.14 C ATOM 1166 C THR A 120 -25.153 -20.345 -24.928 1.00 33.22 C ATOM 1167 O THR A 120 -25.867 -21.324 -24.778 1.00 33.18 O ATOM 1168 CB THR A 120 -26.447 -18.867 -23.369 1.00 37.05 C ATOM 1169 OG1 THR A 120 -26.947 -17.540 -23.196 1.00 37.62 O ATOM 1170 CG2 THR A 120 -25.480 -19.225 -22.191 1.00 37.63 C ATOM 1171 HG1 THR A 120 -27.393 -17.469 -22.315 1.00 0.00 H ATOM 1172 H THR A 120 -27.680 -19.179 -25.679 1.00 0.00 H ATOM 1173 N PRO A 121 -23.840 -20.433 -25.238 1.00 32.30 N ATOM 1174 CA PRO A 121 -23.202 -21.747 -25.341 1.00 32.86 C ATOM 1175 C PRO A 121 -23.171 -22.469 -23.996 1.00 34.77 C ATOM 1176 O PRO A 121 -22.983 -21.812 -22.966 1.00 34.84 O ATOM 1177 CB PRO A 121 -21.779 -21.439 -25.792 1.00 32.74 C ATOM 1178 CG PRO A 121 -21.554 -19.996 -25.518 1.00 32.36 C ATOM 1179 CD PRO A 121 -22.863 -19.331 -25.243 1.00 32.17 C ATOM 1180 N PRO A 122 -23.358 -23.809 -23.998 1.00 34.56 N ATOM 1181 CA PRO A 122 -23.438 -24.510 -22.732 1.00 33.95 C ATOM 1182 C PRO A 122 -22.023 -24.735 -22.169 1.00 30.89 C ATOM 1183 O PRO A 122 -21.032 -24.543 -22.888 1.00 30.41 O ATOM 1184 CB PRO A 122 -24.082 -25.843 -23.144 1.00 35.29 C ATOM 1185 CG PRO A 122 -23.471 -26.119 -24.488 1.00 34.95 C ATOM 1186 CD PRO A 122 -23.128 -24.767 -25.099 1.00 35.37 C ATOM 1187 N CYS A 123 -21.921 -25.149 -20.912 1.00 29.63 N ATOM 1188 CA CYS A 123 -20.605 -25.519 -20.352 1.00 30.35 C ATOM 1189 C CYS A 123 -20.110 -26.813 -20.989 1.00 31.46 C ATOM 1190 O CYS A 123 -20.914 -27.644 -21.416 1.00 32.96 O ATOM 1191 CB CYS A 123 -20.662 -25.650 -18.830 1.00 27.47 C ATOM 1192 SG CYS A 123 -20.949 -24.058 -18.038 1.00 26.52 S ATOM 1193 OXT CYS A 123 -18.904 -27.029 -21.116 1.00 32.45 O ATOM 1194 H CYS A 123 -22.772 -25.213 -20.318 1.00 0.00 H TER 1195 CYS A 123 HETATM 1196 CA CA A 1 -18.828 -13.680 -15.679 1.00 48.59 CA HETATM 1197 O HOH 2 -13.157 -23.505 2.078 1.00 11.66 O HETATM 1198 O HOH 3 -20.931 -3.659 -19.299 1.00 35.09 O HETATM 1199 O HOH 4 -5.575 -21.422 -19.420 1.00 19.03 O HETATM 1200 O HOH 5 -4.206 -6.820 -28.183 1.00 28.95 O HETATM 1201 O HOH 6 -6.167 -14.810 -29.001 1.00 28.41 O HETATM 1202 O HOH 7 -6.221 -11.327 -22.974 1.00 25.76 O HETATM 1203 O HOH 8 -9.460 -11.869 -27.167 1.00 23.70 O HETATM 1204 O HOH 9 -19.461 -24.582 -24.997 1.00 33.74 O HETATM 1205 O HOH 10 -21.792 -18.059 -0.747 1.00 39.84 O HETATM 1206 O HOH 11 -10.984 -15.812 -6.605 1.00 24.35 O HETATM 1207 O HOH 12 -3.538 -1.898 -16.957 1.00 33.76 O HETATM 1208 O HOH 13 -7.616 -19.903 -25.473 1.00 23.03 O HETATM 1209 O HOH 14 -0.757 -18.584 -20.745 1.00 25.05 O HETATM 1210 O HOH 15 -19.280 -8.578 -19.172 1.00 28.30 O HETATM 1211 O HOH 16 -16.214 -31.173 -10.757 1.00 25.32 O HETATM 1212 O HOH 17 -28.327 -8.649 -24.056 1.00 29.86 O HETATM 1213 O HOH 18 -7.483 -0.101 -29.950 1.00 36.04 O HETATM 1214 O HOH 19 5.581 -21.092 -3.641 1.00 20.21 O HETATM 1215 O HOH 20 -24.207 -25.163 -19.319 1.00 31.93 O HETATM 1216 O HOH 21 -10.501 -18.919 -24.649 1.00 22.67 O HETATM 1217 O HOH 22 -1.155 -31.604 -1.954 1.00 29.54 O HETATM 1218 O HOH 23 -19.031 -27.317 -16.393 1.00 28.79 O HETATM 1219 O HOH 24 1.374 -22.025 -14.493 1.00 15.63 O HETATM 1220 O HOH 25 -18.623 -7.193 -13.114 1.00 32.98 O HETATM 1221 O HOH 26 -8.675 -20.836 6.169 1.00 26.04 O HETATM 1222 O HOH 27 -12.132 -23.985 -16.488 1.00 14.60 O HETATM 1223 O HOH 28 -11.207 -21.380 -15.626 1.00 11.16 O HETATM 1224 O HOH 29 -11.337 -32.523 1.115 1.00 7.96 O HETATM 1225 O HOH 30 -13.571 -11.914 -32.171 1.00 30.37 O HETATM 1226 O HOH 31 -2.302 -0.801 -28.814 1.00 30.27 O HETATM 1227 O HOH 32 -29.429 -19.773 -25.255 1.00 44.39 O HETATM 1228 O HOH 33 -2.391 -14.359 0.626 1.00 28.64 O HETATM 1229 O HOH 34 3.267 -20.160 -16.776 1.00 39.13 O HETATM 1230 O HOH 35 -10.127 -13.767 -30.120 1.00 30.19 O HETATM 1231 O HOH 36 -19.134 -30.497 -10.095 1.00 22.48 O HETATM 1232 O HOH 37 4.533 -14.978 -6.055 1.00 28.08 O HETATM 1233 O HOH 38 -19.824 -18.951 -4.591 1.00 24.02 O HETATM 1234 O HOH 39 -11.478 -3.549 -33.882 1.00 26.58 O HETATM 1235 O HOH 40 -1.914 -26.006 0.026 1.00 18.01 O HETATM 1236 O HOH 41 -3.642 -28.510 -7.931 1.00 30.49 O HETATM 1237 O HOH 42 -6.948 -2.530 -28.336 1.00 24.34 O HETATM 1238 O HOH 43 -5.001 -2.362 -23.566 1.00 32.78 O HETATM 1239 O HOH 44 -20.762 -10.406 -17.728 1.00 37.38 O HETATM 1240 O HOH 45 -29.460 -11.420 -20.801 1.00 40.27 O HETATM 1241 O HOH 46 -10.670 -29.720 2.819 1.00 20.05 O HETATM 1242 O HOH 47 1.090 -13.507 -5.244 1.00 33.48 O HETATM 1243 O HOH 48 -0.542 -26.719 -2.083 1.00 31.50 O HETATM 1244 O HOH 49 -1.329 -21.302 -21.274 1.00 28.30 O HETATM 1245 O HOH 50 -14.566 -26.030 2.397 1.00 24.57 O HETATM 1246 O HOH 51 -29.846 -21.681 -23.118 1.00 33.52 O HETATM 1247 OAM UNN A 52 -19.278 -14.023 -12.382 1.00 -0.57 O HETATM 1248 CAL UNN A 52 -18.556 -14.709 -11.622 1.00 0.07 C HETATM 1249 OAN UNN A 52 -18.943 -15.724 -10.990 1.00 -0.57 O HETATM 1250 CAK UNN A 52 -17.061 -14.318 -11.475 1.00 0.12 C HETATM 1251 OAJ UNN A 52 -16.603 -13.481 -12.579 1.00 -0.31 O HETATM 1252 CAA UNN A 52 -16.141 -12.199 -12.340 1.00 0.08 C HETATM 1253 CAB UNN A 52 -16.822 -11.374 -11.430 1.00 -0.05 C HETATM 1254 CAC UNN A 52 -16.357 -10.096 -11.209 1.00 -0.09 C HETATM 1255 CAD UNN A 52 -15.236 -9.682 -11.917 1.00 -0.06 C HETATM 1256 CAE UNN A 52 -14.608 -10.489 -12.784 1.00 0.06 C HETATM 1257 CAF UNN A 52 -15.037 -11.750 -13.013 1.00 0.02 C HETATM 1258 CAI UNN A 52 -14.188 -12.262 -13.948 1.00 0.04 C HETATM 1259 CAO UNN A 52 -14.222 -13.492 -14.511 1.00 0.20 C HETATM 1260 OAQ UNN A 52 -13.279 -14.285 -14.507 1.00 -0.37 O HETATM 1261 CAP UNN A 52 -15.503 -13.882 -15.235 1.00 0.26 C HETATM 1262 OAS UNN A 52 -16.454 -13.117 -15.317 1.00 -0.36 O HETATM 1263 NAR UNN A 52 -15.541 -15.112 -15.684 1.00 -0.29 N HETATM 1264 H6 UNN A 52 -16.350 -15.442 -16.171 1.00 0.18 H HETATM 1265 H7 UNN A 52 -14.761 -15.721 -15.540 1.00 0.18 H HETATM 1266 CAH UNN A 52 -13.285 -11.341 -14.246 1.00 0.07 C HETATM 1267 CAT UNN A 52 -12.139 -11.540 -15.246 1.00 0.00 C HETATM 1268 H8 UNN A 52 -12.196 -12.553 -15.672 1.00 0.05 H HETATM 1269 H9 UNN A 52 -11.176 -11.413 -14.730 1.00 0.05 H HETATM 1270 H10 UNN A 52 -12.224 -10.797 -16.053 1.00 0.05 H HETATM 1271 NAG UNN A 52 -13.531 -10.235 -13.537 1.00 -0.24 N HETATM 1272 CAU UNN A 52 -12.759 -8.907 -13.508 1.00 0.09 C HETATM 1273 CAV UNN A 52 -12.014 -8.776 -12.300 1.00 -0.01 C HETATM 1274 CBA UNN A 52 -11.835 -7.516 -11.694 1.00 -0.05 C HETATM 1275 CAZ UNN A 52 -11.102 -7.388 -10.501 1.00 0.01 C HETATM 1276 BRB UNN A 52 -10.842 -5.698 -9.650 1.00 -0.05 BR HETATM 1277 CAY UNN A 52 -10.546 -8.510 -9.898 1.00 -0.06 C HETATM 1278 CAX UNN A 52 -10.719 -9.757 -10.479 1.00 -0.07 C HETATM 1279 CAW UNN A 52 -11.439 -9.897 -11.668 1.00 -0.06 C HETATM 1280 H16 UNN A 52 -11.557 -10.880 -12.110 1.00 0.06 H HETATM 1281 H15 UNN A 52 -10.291 -10.633 -10.005 1.00 0.06 H HETATM 1282 H14 UNN A 52 -9.980 -8.411 -8.979 1.00 0.06 H HETATM 1283 H13 UNN A 52 -12.268 -6.635 -12.153 1.00 0.06 H HETATM 1284 H11 UNN A 52 -13.473 -8.074 -13.582 1.00 0.08 H HETATM 1285 H12 UNN A 52 -12.067 -8.874 -14.363 1.00 0.08 H HETATM 1286 H5 UNN A 52 -14.858 -8.678 -11.764 1.00 0.04 H HETATM 1287 H4 UNN A 52 -16.850 -9.435 -10.505 1.00 0.05 H HETATM 1288 H3 UNN A 52 -17.701 -11.737 -10.909 1.00 0.04 H HETATM 1289 H1 UNN A 52 -16.455 -15.236 -11.450 1.00 0.08 H HETATM 1290 H2 UNN A 52 -16.929 -13.766 -10.533 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 238 237 1141 CONECT 243 242 1196 CONECT 259 258 402 CONECT 264 263 1196 CONECT 278 277 1196 CONECT 395 394 914 CONECT 402 259 401 CONECT 438 437 1196 CONECT 446 445 1192 CONECT 453 452 847 CONECT 542 541 776 CONECT 723 722 830 CONECT 776 542 775 CONECT 830 723 829 CONECT 847 453 846 CONECT 914 395 913 CONECT 1141 238 1140 CONECT 1192 446 1191 CONECT 1196 243 264 278 438 CONECT 1247 1248 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1289 1290 CONECT 1251 1250 1252 CONECT 1252 1251 1253 1257 CONECT 1253 1252 1254 1288 CONECT 1254 1253 1255 1287 CONECT 1255 1254 1256 1286 CONECT 1256 1255 1257 1271 CONECT 1257 1252 1256 1258 CONECT 1258 1257 1259 1266 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1265 CONECT 1264 1263 CONECT 1265 1263 CONECT 1266 1258 1267 1271 CONECT 1267 1266 1268 1269 1270 CONECT 1268 1267 CONECT 1269 1267 CONECT 1270 1267 CONECT 1271 1256 1266 1272 CONECT 1272 1271 1273 1284 1285 CONECT 1273 1272 1274 1279 CONECT 1274 1273 1275 1283 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 1278 1282 CONECT 1278 1277 1279 1281 CONECT 1279 1273 1278 1280 CONECT 1280 1279 CONECT 1281 1278 CONECT 1282 1277 CONECT 1283 1274 CONECT 1284 1272 CONECT 1285 1272 CONECT 1286 1255 CONECT 1287 1254 CONECT 1288 1253 CONECT 1289 1250 CONECT 1290 1250 MASTER 0 0 0 0 0 0 0 0 1289 1 67 10 END
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Related entries of code: 5wzt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5wzs
RCSB PDB
PDBbind
123aa, >5WZS_1|Chain... *
5wzu
RCSB PDB
PDBbind
123aa, >5WZU_1|Chain... at 100%
5wzv
RCSB PDB
PDBbind
123aa, >5WZV_1|Chain... at 100%
5wzw
RCSB PDB
PDBbind
123aa, >5WZW_1|Chain... at 100%
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
5wzt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group IIE secretory phospholipase A2
Ligand Name
7W6
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.22uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 10815-10815
Ligand Properties
Formula
C
2
0
H
1
7
BrN
2
O
5
Molecular Weight
445.263
Exact Mass
444.032
No. of atoms
45
No. of bonds
47
Polar Surface Area
111.62
LOGP Value
3.89 (
Computed with XLOGP3
)
3.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
OC(=O)COc1cccc2c1c(C(=O)C(=O)N)c(n2Cc1cccc(c1)Br)C
InChI String
InChI=1S/C20H17BrN2O5/c1-11-17(19(26)20(22)27)18-14(6-3-7-15(18)28-10-16(24)25)23(11)9-12-4-2-5-13(21)8-12/h2-8H,9-10H2,1H3,(H2,22,27)(H,24,25)
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):
Q9NZK7
Entrez Gene ID
NCBI Entrez Gene ID:
30814
ASD
Information of known allosteric effects of PDB entries
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