Browse entries in the PDBbind-CN Database
HEADER 5L8N_COMPLEX COMPND 5L8N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 PHE THR GLY LYS PHE GLU MET GLU SER GLU LYS ASN TYR SEQRES 2 A 125 ASP GLU PHE MET LYS LEU LEU GLY ILE SER SER ASP VAL SEQRES 3 A 125 ILE GLU LYS ALA ARG ASN PHE LYS ILE VAL THR GLU VAL SEQRES 4 A 125 GLN GLN ASP GLY GLN ASP PHE THR TRP SER GLN HIS TYR SEQRES 5 A 125 SER GLY GLY HIS THR MET THR ASN LYS PHE THR VAL GLY SEQRES 6 A 125 LYS GLU SER ASN ILE GLN THR MET GLY GLY LYS THR PHE SEQRES 7 A 125 LYS ALA THR VAL GLN MET GLU GLY GLY LYS LEU VAL VAL SEQRES 8 A 125 ASN PHE PRO ASN TYR HIS GLN THR SER GLU ILE VAL GLY SEQRES 9 A 125 ASP LYS LEU VAL GLU VAL SER THR ILE GLY GLY VAL THR SEQRES 10 A 125 TYR GLU ARG VAL SER LYS ARG LEU HET UNN A 142 23 ATOM 1 N PHE A 3 38.601 -0.264 62.980 1.00 41.89 N ATOM 2 CA PHE A 3 39.713 -0.722 62.085 1.00 41.67 C ATOM 3 C PHE A 3 40.082 0.260 60.966 1.00 41.49 C ATOM 4 O PHE A 3 41.248 0.326 60.584 1.00 42.35 O ATOM 5 CB PHE A 3 39.394 -2.090 61.471 1.00 40.96 C ATOM 6 CG PHE A 3 39.697 -3.249 62.377 1.00 40.31 C ATOM 7 CD1 PHE A 3 41.018 -3.637 62.612 1.00 39.86 C ATOM 8 CD2 PHE A 3 38.669 -3.968 62.984 1.00 39.60 C ATOM 9 CE1 PHE A 3 41.306 -4.712 63.442 1.00 39.93 C ATOM 10 CE2 PHE A 3 38.950 -5.044 63.812 1.00 39.32 C ATOM 11 CZ PHE A 3 40.269 -5.417 64.043 1.00 40.00 C ATOM 12 HN3 PHE A 3 37.741 -0.116 62.414 1.00 0.00 H ATOM 13 HN2 PHE A 3 38.873 0.628 63.440 1.00 0.00 H ATOM 14 HN1 PHE A 3 38.420 -0.988 63.704 1.00 0.00 H ATOM 15 N THR A 4 39.109 1.000 60.435 1.00 41.72 N ATOM 16 CA THR A 4 39.354 1.908 59.299 1.00 41.15 C ATOM 17 C THR A 4 40.401 2.969 59.648 1.00 40.73 C ATOM 18 O THR A 4 40.332 3.586 60.708 1.00 40.80 O ATOM 19 CB THR A 4 38.052 2.602 58.831 1.00 40.97 C ATOM 20 OG1 THR A 4 37.121 1.610 58.387 1.00 40.40 O ATOM 21 CG2 THR A 4 38.313 3.580 57.680 1.00 41.05 C ATOM 22 HG1 THR A 4 36.287 2.052 58.087 1.00 0.00 H ATOM 23 H THR A 4 38.150 0.935 60.833 1.00 0.00 H ATOM 24 N GLY A 5 41.375 3.159 58.761 1.00 41.32 N ATOM 25 CA GLY A 5 42.403 4.179 58.959 1.00 41.09 C ATOM 26 C GLY A 5 43.684 3.936 58.193 1.00 41.15 C ATOM 27 O GLY A 5 43.737 3.096 57.289 1.00 39.91 O ATOM 28 H GLY A 5 41.405 2.567 57.906 1.00 0.00 H ATOM 29 N LYS A 6 44.708 4.705 58.562 1.00 41.22 N ATOM 30 CA LYS A 6 46.069 4.565 58.042 1.00 41.47 C ATOM 31 C LYS A 6 47.006 4.448 59.243 1.00 39.43 C ATOM 32 O LYS A 6 46.902 5.240 60.184 1.00 35.85 O ATOM 33 CB LYS A 6 46.433 5.780 57.189 1.00 43.93 C ATOM 34 CG LYS A 6 47.623 5.577 56.260 1.00 46.64 C ATOM 35 CD LYS A 6 47.603 6.569 55.102 1.00 48.17 C ATOM 36 CE LYS A 6 48.916 6.558 54.329 1.00 50.38 C ATOM 37 NZ LYS A 6 48.839 7.312 53.042 1.00 51.29 N ATOM 38 HZ1 LYS A 6 48.110 6.886 52.435 1.00 0.00 H ATOM 39 HZ2 LYS A 6 48.594 8.304 53.237 1.00 0.00 H ATOM 40 HZ3 LYS A 6 49.760 7.270 52.561 1.00 0.00 H ATOM 41 H LYS A 6 44.529 5.452 59.264 1.00 0.00 H ATOM 42 N PHE A 7 47.903 3.460 59.216 1.00 37.72 N ATOM 43 CA PHE A 7 48.733 3.121 60.380 1.00 36.73 C ATOM 44 C PHE A 7 50.186 2.907 59.987 1.00 37.13 C ATOM 45 O PHE A 7 50.455 2.218 59.005 1.00 37.23 O ATOM 46 CB PHE A 7 48.217 1.849 61.054 1.00 35.84 C ATOM 47 CG PHE A 7 46.775 1.911 61.449 1.00 34.99 C ATOM 48 CD1 PHE A 7 45.780 1.534 60.556 1.00 35.01 C ATOM 49 CD2 PHE A 7 46.408 2.349 62.714 1.00 35.39 C ATOM 50 CE1 PHE A 7 44.445 1.592 60.916 1.00 35.12 C ATOM 51 CE2 PHE A 7 45.075 2.405 63.084 1.00 35.72 C ATOM 52 CZ PHE A 7 44.091 2.026 62.182 1.00 35.75 C ATOM 53 H PHE A 7 48.018 2.911 58.340 1.00 0.00 H ATOM 54 N GLU A 8 51.110 3.474 60.768 1.00 36.13 N ATOM 55 CA GLU A 8 52.550 3.365 60.510 1.00 37.12 C ATOM 56 C GLU A 8 53.196 2.468 61.562 1.00 34.92 C ATOM 57 O GLU A 8 53.015 2.700 62.755 1.00 32.90 O ATOM 58 CB GLU A 8 53.199 4.757 60.544 1.00 39.55 C ATOM 59 CG GLU A 8 54.579 4.827 59.891 1.00 42.22 C ATOM 60 CD GLU A 8 55.224 6.207 59.974 1.00 44.86 C ATOM 61 OE1 GLU A 8 56.469 6.283 59.913 1.00 46.92 O ATOM 62 OE2 GLU A 8 54.503 7.221 60.106 1.00 46.08 O ATOM 63 H GLU A 8 50.794 4.017 61.597 1.00 0.00 H ATOM 64 N MET A 9 53.951 1.458 61.120 1.00 34.92 N ATOM 65 CA MET A 9 54.639 0.526 62.034 1.00 34.82 C ATOM 66 C MET A 9 55.654 1.251 62.909 1.00 34.23 C ATOM 67 O MET A 9 56.517 1.965 62.399 1.00 33.26 O ATOM 68 CB MET A 9 55.349 -0.586 61.254 1.00 36.09 C ATOM 69 CG MET A 9 56.084 -1.613 62.122 1.00 37.02 C ATOM 70 SD MET A 9 56.805 -2.957 61.158 1.00 40.28 S ATOM 71 CE MET A 9 58.020 -2.086 60.170 1.00 39.94 C ATOM 72 H MET A 9 54.058 1.324 60.094 1.00 0.00 H ATOM 73 N GLU A 10 55.542 1.053 64.220 1.00 34.98 N ATOM 74 CA GLU A 10 56.458 1.663 65.191 1.00 36.56 C ATOM 75 C GLU A 10 57.185 0.666 66.108 1.00 35.78 C ATOM 76 O GLU A 10 58.324 0.919 66.494 1.00 34.28 O ATOM 77 CB GLU A 10 55.726 2.726 66.023 1.00 38.54 C ATOM 78 CG GLU A 10 54.538 2.223 66.827 1.00 41.16 C ATOM 79 CD GLU A 10 53.863 3.313 67.650 1.00 44.84 C ATOM 80 OE1 GLU A 10 54.300 4.488 67.598 1.00 44.77 O ATOM 81 OE2 GLU A 10 52.879 2.989 68.357 1.00 47.45 O ATOM 82 H GLU A 10 54.776 0.443 64.570 1.00 0.00 H ATOM 83 N SER A 11 56.535 -0.440 66.469 1.00 35.51 N ATOM 84 CA SER A 11 57.149 -1.468 67.311 1.00 35.64 C ATOM 85 C SER A 11 56.911 -2.852 66.724 1.00 35.51 C ATOM 86 O SER A 11 55.882 -3.094 66.101 1.00 34.89 O ATOM 87 CB SER A 11 56.562 -1.426 68.723 1.00 35.74 C ATOM 88 OG SER A 11 56.518 -0.110 69.237 1.00 36.93 O ATOM 89 HG SER A 11 57.435 0.261 69.271 1.00 0.00 H ATOM 90 H SER A 11 55.558 -0.577 66.141 1.00 0.00 H ATOM 91 N GLU A 12 57.856 -3.761 66.926 1.00 35.68 N ATOM 92 CA GLU A 12 57.616 -5.164 66.599 1.00 37.18 C ATOM 93 C GLU A 12 58.443 -6.108 67.469 1.00 35.20 C ATOM 94 O GLU A 12 59.594 -5.812 67.788 1.00 34.16 O ATOM 95 CB GLU A 12 57.826 -5.439 65.101 1.00 39.04 C ATOM 96 CG GLU A 12 59.236 -5.198 64.600 1.00 41.03 C ATOM 97 CD GLU A 12 59.357 -5.238 63.088 1.00 43.32 C ATOM 98 OE1 GLU A 12 58.454 -5.769 62.401 1.00 43.69 O ATOM 99 OE2 GLU A 12 60.381 -4.732 62.586 1.00 45.96 O ATOM 100 H GLU A 12 58.774 -3.472 67.320 1.00 0.00 H ATOM 101 N LYS A 13 57.823 -7.221 67.870 1.00 33.98 N ATOM 102 CA LYS A 13 58.472 -8.252 68.679 1.00 32.88 C ATOM 103 C LYS A 13 58.808 -9.461 67.811 1.00 32.11 C ATOM 104 O LYS A 13 57.989 -9.890 67.001 1.00 31.04 O ATOM 105 CB LYS A 13 57.561 -8.683 69.832 1.00 33.90 C ATOM 106 H LYS A 13 56.830 -7.361 67.593 1.00 0.00 H ATOM 107 N ASN A 14 60.021 -9.984 67.981 1.00 32.44 N ATOM 108 CA ASN A 14 60.467 -11.247 67.379 1.00 32.13 C ATOM 109 C ASN A 14 60.444 -11.299 65.845 1.00 33.29 C ATOM 110 O ASN A 14 60.066 -12.307 65.250 1.00 31.60 O ATOM 111 CB ASN A 14 59.691 -12.423 67.984 1.00 31.25 C ATOM 112 CG ASN A 14 59.834 -12.497 69.493 1.00 31.67 C ATOM 113 OD1 ASN A 14 60.793 -11.979 70.064 1.00 30.58 O ATOM 114 ND2 ASN A 14 58.883 -13.152 70.147 1.00 32.20 N ATOM 115 HD22 ASN A 14 58.089 -13.575 69.625 1.00 0.00 H ATOM 116 HD21 ASN A 14 58.931 -13.242 71.182 1.00 0.00 H ATOM 117 H ASN A 14 60.696 -9.465 68.578 1.00 0.00 H ATOM 118 N TYR A 15 60.885 -10.209 65.221 1.00 34.64 N ATOM 119 CA TYR A 15 61.012 -10.124 63.764 1.00 36.07 C ATOM 120 C TYR A 15 62.007 -11.164 63.219 1.00 36.88 C ATOM 121 O TYR A 15 61.671 -11.921 62.311 1.00 35.12 O ATOM 122 CB TYR A 15 61.419 -8.699 63.357 1.00 37.53 C ATOM 123 CG TYR A 15 61.923 -8.539 61.939 1.00 38.82 C ATOM 124 CD1 TYR A 15 61.040 -8.487 60.862 1.00 39.36 C ATOM 125 CD2 TYR A 15 63.289 -8.419 61.676 1.00 39.91 C ATOM 126 CE1 TYR A 15 61.505 -8.333 59.561 1.00 39.68 C ATOM 127 CE2 TYR A 15 63.761 -8.262 60.380 1.00 40.16 C ATOM 128 CZ TYR A 15 62.867 -8.225 59.326 1.00 39.92 C ATOM 129 OH TYR A 15 63.339 -8.071 58.041 1.00 41.45 O ATOM 130 HH TYR A 15 63.945 -8.822 57.821 1.00 0.00 H ATOM 131 H TYR A 15 61.151 -9.382 65.793 1.00 0.00 H ATOM 132 N ASP A 16 63.205 -11.215 63.804 1.00 38.12 N ATOM 133 CA ASP A 16 64.283 -12.106 63.336 1.00 39.42 C ATOM 134 C ASP A 16 63.897 -13.572 63.408 1.00 37.83 C ATOM 135 O ASP A 16 63.998 -14.293 62.416 1.00 38.75 O ATOM 136 CB ASP A 16 65.567 -11.913 64.143 1.00 40.62 C ATOM 137 CG ASP A 16 66.090 -10.505 64.068 1.00 42.55 C ATOM 138 OD1 ASP A 16 65.394 -9.595 64.572 1.00 44.41 O ATOM 139 OD2 ASP A 16 67.187 -10.302 63.509 1.00 43.75 O ATOM 140 H ASP A 16 63.386 -10.601 64.624 1.00 0.00 H ATOM 141 N GLU A 17 63.455 -13.991 64.588 1.00 37.18 N ATOM 142 CA GLU A 17 62.988 -15.357 64.818 1.00 37.49 C ATOM 143 C GLU A 17 61.897 -15.773 63.835 1.00 37.21 C ATOM 144 O GLU A 17 61.943 -16.877 63.287 1.00 37.11 O ATOM 145 CB GLU A 17 62.465 -15.511 66.250 1.00 37.12 C ATOM 146 H GLU A 17 63.440 -13.319 65.382 1.00 0.00 H ATOM 147 N PHE A 18 60.928 -14.886 63.615 1.00 37.14 N ATOM 148 CA PHE A 18 59.796 -15.167 62.731 1.00 37.54 C ATOM 149 C PHE A 18 60.221 -15.302 61.273 1.00 37.70 C ATOM 150 O PHE A 18 59.783 -16.227 60.586 1.00 36.08 O ATOM 151 CB PHE A 18 58.721 -14.082 62.868 1.00 38.28 C ATOM 152 CG PHE A 18 57.395 -14.461 62.275 1.00 38.16 C ATOM 153 CD1 PHE A 18 56.558 -15.355 62.932 1.00 38.55 C ATOM 154 CD2 PHE A 18 56.973 -13.919 61.068 1.00 39.02 C ATOM 155 CE1 PHE A 18 55.329 -15.708 62.392 1.00 38.01 C ATOM 156 CE2 PHE A 18 55.747 -14.268 60.524 1.00 38.74 C ATOM 157 CZ PHE A 18 54.924 -15.165 61.187 1.00 38.34 C ATOM 158 H PHE A 18 60.978 -13.961 64.088 1.00 0.00 H ATOM 159 N MET A 19 61.065 -14.379 60.809 1.00 38.37 N ATOM 160 CA MET A 19 61.552 -14.393 59.422 1.00 39.43 C ATOM 161 C MET A 19 62.497 -15.569 59.157 1.00 40.52 C ATOM 162 O MET A 19 62.515 -16.108 58.043 1.00 38.55 O ATOM 163 CB MET A 19 62.263 -13.082 59.069 1.00 40.46 C ATOM 164 CG MET A 19 61.377 -11.849 59.097 1.00 42.22 C ATOM 165 SD MET A 19 60.201 -11.775 57.734 1.00 45.01 S ATOM 166 CE MET A 19 61.078 -10.789 56.519 1.00 46.72 C ATOM 167 H MET A 19 61.389 -13.626 61.449 1.00 0.00 H ATOM 168 N LYS A 20 63.287 -15.947 60.168 1.00 39.66 N ATOM 169 CA LYS A 20 64.126 -17.150 60.091 1.00 41.10 C ATOM 170 C LYS A 20 63.274 -18.409 59.962 1.00 41.46 C ATOM 171 O LYS A 20 63.555 -19.272 59.126 1.00 40.75 O ATOM 172 CB LYS A 20 65.038 -17.282 61.311 1.00 41.89 C ATOM 173 CG LYS A 20 66.294 -16.434 61.249 1.00 43.29 C ATOM 174 CD LYS A 20 67.217 -16.790 62.399 1.00 44.64 C ATOM 175 CE LYS A 20 68.525 -16.030 62.333 1.00 46.15 C ATOM 176 NZ LYS A 20 69.391 -16.379 63.493 1.00 46.74 N ATOM 177 HZ1 LYS A 20 68.901 -16.132 64.377 1.00 0.00 H ATOM 178 HZ2 LYS A 20 69.592 -17.399 63.480 1.00 0.00 H ATOM 179 HZ3 LYS A 20 70.283 -15.848 63.430 1.00 0.00 H ATOM 180 H LYS A 20 63.308 -15.372 61.034 1.00 0.00 H ATOM 181 N LEU A 21 62.230 -18.489 60.783 1.00 42.08 N ATOM 182 CA LEU A 21 61.259 -19.588 60.740 1.00 43.73 C ATOM 183 C LEU A 21 60.541 -19.704 59.390 1.00 43.94 C ATOM 184 O LEU A 21 60.209 -20.810 58.966 1.00 47.05 O ATOM 185 CB LEU A 21 60.234 -19.426 61.867 1.00 44.91 C ATOM 186 CG LEU A 21 59.252 -20.561 62.135 1.00 47.03 C ATOM 187 CD1 LEU A 21 59.987 -21.855 62.452 1.00 47.73 C ATOM 188 CD2 LEU A 21 58.338 -20.162 63.283 1.00 47.59 C ATOM 189 H LEU A 21 62.096 -17.737 61.489 1.00 0.00 H ATOM 190 N LEU A 22 60.303 -18.573 58.726 1.00 43.89 N ATOM 191 CA LEU A 22 59.797 -18.566 57.343 1.00 44.27 C ATOM 192 C LEU A 22 60.840 -19.039 56.315 1.00 44.47 C ATOM 193 O LEU A 22 60.477 -19.490 55.225 1.00 46.47 O ATOM 194 CB LEU A 22 59.274 -17.173 56.954 1.00 44.68 C ATOM 195 CG LEU A 22 57.982 -16.708 57.641 1.00 45.04 C ATOM 196 CD1 LEU A 22 57.667 -15.268 57.270 1.00 45.43 C ATOM 197 CD2 LEU A 22 56.805 -17.613 57.298 1.00 45.40 C ATOM 198 H LEU A 22 60.481 -17.665 59.201 1.00 0.00 H ATOM 199 N GLY A 23 62.121 -18.900 56.654 1.00 43.49 N ATOM 200 CA GLY A 23 63.225 -19.443 55.868 1.00 42.16 C ATOM 201 C GLY A 23 63.882 -18.457 54.916 1.00 42.36 C ATOM 202 O GLY A 23 64.523 -18.870 53.945 1.00 40.43 O ATOM 203 H GLY A 23 62.346 -18.377 57.524 1.00 0.00 H ATOM 204 N ILE A 24 63.739 -17.159 55.182 1.00 42.09 N ATOM 205 CA ILE A 24 64.397 -16.145 54.355 1.00 41.86 C ATOM 206 C ILE A 24 65.828 -15.933 54.869 1.00 39.63 C ATOM 207 O ILE A 24 66.100 -16.147 56.051 1.00 39.59 O ATOM 208 CB ILE A 24 63.568 -14.839 54.238 1.00 43.29 C ATOM 209 CG1 ILE A 24 63.569 -14.014 55.522 1.00 44.43 C ATOM 210 CG2 ILE A 24 62.126 -15.149 53.830 1.00 43.46 C ATOM 211 CD1 ILE A 24 63.670 -12.535 55.238 1.00 45.68 C ATOM 212 H ILE A 24 63.152 -16.862 55.988 1.00 0.00 H ATOM 213 N SER A 25 66.739 -15.547 53.979 1.00 38.27 N ATOM 214 CA SER A 25 68.153 -15.414 54.339 1.00 38.84 C ATOM 215 C SER A 25 68.393 -14.265 55.313 1.00 38.71 C ATOM 216 O SER A 25 67.669 -13.267 55.298 1.00 38.08 O ATOM 217 CB SER A 25 69.023 -15.194 53.101 1.00 38.73 C ATOM 218 OG SER A 25 68.823 -13.907 52.557 1.00 38.88 O ATOM 219 HG SER A 25 69.058 -13.224 53.234 1.00 0.00 H ATOM 220 H SER A 25 66.440 -15.335 53.006 1.00 0.00 H ATOM 221 N SER A 26 69.427 -14.418 56.138 1.00 38.82 N ATOM 222 CA SER A 26 69.855 -13.383 57.078 1.00 40.41 C ATOM 223 C SER A 26 70.175 -12.048 56.392 1.00 41.30 C ATOM 224 O SER A 26 69.897 -10.990 56.952 1.00 41.11 O ATOM 225 CB SER A 26 71.071 -13.865 57.867 1.00 41.03 C ATOM 226 OG SER A 26 70.741 -15.022 58.619 1.00 42.04 O ATOM 227 HG SER A 26 71.537 -15.323 59.125 1.00 0.00 H ATOM 228 H SER A 26 69.954 -15.314 56.113 1.00 0.00 H ATOM 229 N ASP A 27 70.752 -12.112 55.189 1.00 41.12 N ATOM 230 CA ASP A 27 71.013 -10.921 54.372 1.00 42.19 C ATOM 231 C ASP A 27 69.737 -10.165 54.012 1.00 41.76 C ATOM 232 O ASP A 27 69.707 -8.932 54.070 1.00 42.49 O ATOM 233 CB ASP A 27 71.756 -11.295 53.082 1.00 43.60 C ATOM 234 CG ASP A 27 73.174 -11.776 53.336 1.00 46.54 C ATOM 235 OD1 ASP A 27 73.656 -11.673 54.487 1.00 48.92 O ATOM 236 OD2 ASP A 27 73.813 -12.265 52.380 1.00 48.55 O ATOM 237 H ASP A 27 71.027 -13.043 54.816 1.00 0.00 H ATOM 238 N VAL A 28 68.694 -10.905 53.637 1.00 40.22 N ATOM 239 CA VAL A 28 67.387 -10.315 53.339 1.00 38.53 C ATOM 240 C VAL A 28 66.704 -9.874 54.639 1.00 37.83 C ATOM 241 O VAL A 28 66.056 -8.827 54.666 1.00 37.38 O ATOM 242 CB VAL A 28 66.482 -11.280 52.527 1.00 38.30 C ATOM 243 CG1 VAL A 28 65.082 -10.704 52.332 1.00 38.64 C ATOM 244 CG2 VAL A 28 67.104 -11.575 51.168 1.00 37.71 C ATOM 245 H VAL A 28 68.812 -11.935 53.553 1.00 0.00 H ATOM 246 N ILE A 29 66.854 -10.659 55.708 1.00 37.25 N ATOM 247 CA ILE A 29 66.353 -10.258 57.032 1.00 37.16 C ATOM 248 C ILE A 29 66.994 -8.930 57.466 1.00 37.60 C ATOM 249 O ILE A 29 66.296 -8.035 57.946 1.00 38.83 O ATOM 250 CB ILE A 29 66.596 -11.336 58.117 1.00 36.37 C ATOM 251 CG1 ILE A 29 65.749 -12.582 57.841 1.00 35.95 C ATOM 252 CG2 ILE A 29 66.248 -10.801 59.506 1.00 35.98 C ATOM 253 CD1 ILE A 29 66.103 -13.787 58.685 1.00 35.64 C ATOM 254 H ILE A 29 67.336 -11.575 55.603 1.00 0.00 H ATOM 255 N GLU A 30 68.308 -8.814 57.280 1.00 37.30 N ATOM 256 CA GLU A 30 69.057 -7.616 57.667 1.00 38.67 C ATOM 257 C GLU A 30 68.670 -6.400 56.828 1.00 39.80 C ATOM 258 O GLU A 30 68.423 -5.324 57.377 1.00 40.59 O ATOM 259 CB GLU A 30 70.564 -7.866 57.557 1.00 38.39 C ATOM 260 H GLU A 30 68.822 -9.605 56.843 1.00 0.00 H ATOM 261 N LYS A 31 68.610 -6.580 55.509 1.00 40.06 N ATOM 262 CA LYS A 31 68.246 -5.499 54.589 1.00 42.05 C ATOM 263 C LYS A 31 66.789 -5.050 54.771 1.00 43.19 C ATOM 264 O LYS A 31 66.515 -3.851 54.844 1.00 45.47 O ATOM 265 CB LYS A 31 68.489 -5.922 53.134 1.00 41.79 C ATOM 266 H LYS A 31 68.829 -7.519 55.119 1.00 0.00 H ATOM 267 N ALA A 32 65.868 -6.010 54.860 1.00 42.84 N ATOM 268 CA ALA A 32 64.437 -5.711 55.018 1.00 42.86 C ATOM 269 C ALA A 32 64.067 -5.105 56.379 1.00 44.14 C ATOM 270 O ALA A 32 63.054 -4.410 56.486 1.00 43.07 O ATOM 271 CB ALA A 32 63.601 -6.958 54.762 1.00 42.97 C ATOM 272 H ALA A 32 66.172 -7.004 54.816 1.00 0.00 H ATOM 273 N ARG A 33 64.882 -5.357 57.405 1.00 43.28 N ATOM 274 CA ARG A 33 64.667 -4.804 58.754 1.00 44.46 C ATOM 275 C ARG A 33 64.330 -3.304 58.774 1.00 44.09 C ATOM 276 O ARG A 33 63.488 -2.875 59.556 1.00 41.99 O ATOM 277 CB ARG A 33 65.902 -5.053 59.633 1.00 44.51 C ATOM 278 CG ARG A 33 65.701 -4.766 61.115 1.00 45.06 C ATOM 279 CD ARG A 33 67.030 -4.702 61.845 1.00 45.36 C ATOM 280 NE ARG A 33 67.747 -5.970 61.765 1.00 44.76 N ATOM 281 CZ ARG A 33 67.466 -7.057 62.485 1.00 45.44 C ATOM 282 NH1 ARG A 33 68.194 -8.155 62.312 1.00 46.61 N ATOM 283 NH2 ARG A 33 66.472 -7.065 63.377 1.00 46.05 N ATOM 284 HE ARG A 33 68.539 -6.031 61.094 1.00 0.00 H ATOM 285 HH12 ARG A 33 67.986 -9.010 62.867 1.00 0.00 H ATOM 286 HH11 ARG A 33 68.972 -8.160 61.622 1.00 0.00 H ATOM 287 HH22 ARG A 33 66.273 -7.926 63.926 1.00 0.00 H ATOM 288 HH21 ARG A 33 65.897 -6.211 63.523 1.00 0.00 H ATOM 289 H ARG A 33 65.706 -5.971 57.246 1.00 0.00 H ATOM 290 N ASN A 34 64.963 -2.534 57.892 1.00 46.92 N ATOM 291 CA ASN A 34 64.854 -1.064 57.886 1.00 48.55 C ATOM 292 C ASN A 34 63.621 -0.525 57.138 1.00 47.32 C ATOM 293 O ASN A 34 63.371 0.681 57.166 1.00 44.89 O ATOM 294 CB ASN A 34 66.123 -0.430 57.288 1.00 50.46 C ATOM 295 CG ASN A 34 67.364 -1.293 57.480 1.00 54.18 C ATOM 296 OD1 ASN A 34 67.761 -1.602 58.610 1.00 54.73 O ATOM 297 ND2 ASN A 34 67.965 -1.712 56.369 1.00 55.29 N ATOM 298 HD22 ASN A 34 67.596 -1.427 55.439 1.00 0.00 H ATOM 299 HD21 ASN A 34 68.803 -2.324 56.431 1.00 0.00 H ATOM 300 H ASN A 34 65.562 -2.990 57.174 1.00 0.00 H ATOM 301 N PHE A 35 62.872 -1.404 56.463 1.00 46.93 N ATOM 302 CA PHE A 35 61.663 -1.013 55.716 1.00 47.00 C ATOM 303 C PHE A 35 60.618 -0.360 56.614 1.00 44.20 C ATOM 304 O PHE A 35 60.340 -0.849 57.708 1.00 42.91 O ATOM 305 CB PHE A 35 61.013 -2.233 55.037 1.00 48.80 C ATOM 306 CG PHE A 35 61.670 -2.669 53.747 1.00 52.75 C ATOM 307 CD1 PHE A 35 62.985 -2.317 53.415 1.00 54.68 C ATOM 308 CD2 PHE A 35 60.961 -3.481 52.863 1.00 55.36 C ATOM 309 CE1 PHE A 35 63.555 -2.750 52.224 1.00 56.93 C ATOM 310 CE2 PHE A 35 61.530 -3.917 51.674 1.00 56.52 C ATOM 311 CZ PHE A 35 62.828 -3.550 51.354 1.00 57.30 C ATOM 312 H PHE A 35 63.154 -2.405 56.465 1.00 0.00 H ATOM 313 N LYS A 36 60.055 0.747 56.137 1.00 42.36 N ATOM 314 CA LYS A 36 58.869 1.350 56.733 1.00 41.77 C ATOM 315 C LYS A 36 57.646 0.627 56.178 1.00 40.95 C ATOM 316 O LYS A 36 57.617 0.283 54.991 1.00 41.06 O ATOM 317 CB LYS A 36 58.797 2.843 56.396 1.00 41.49 C ATOM 318 H LYS A 36 60.479 1.202 55.303 1.00 0.00 H ATOM 319 N ILE A 37 56.652 0.389 57.033 1.00 40.92 N ATOM 320 CA ILE A 37 55.406 -0.272 56.626 1.00 42.26 C ATOM 321 C ILE A 37 54.215 0.573 57.053 1.00 41.67 C ATOM 322 O ILE A 37 54.024 0.821 58.246 1.00 42.16 O ATOM 323 CB ILE A 37 55.264 -1.692 57.222 1.00 42.74 C ATOM 324 CG1 ILE A 37 56.403 -2.588 56.727 1.00 43.42 C ATOM 325 CG2 ILE A 37 53.911 -2.305 56.845 1.00 43.67 C ATOM 326 CD1 ILE A 37 56.442 -3.958 57.372 1.00 43.68 C ATOM 327 H ILE A 37 56.763 0.682 58.025 1.00 0.00 H ATOM 328 N VAL A 38 53.423 0.997 56.065 1.00 40.34 N ATOM 329 CA VAL A 38 52.190 1.733 56.287 1.00 39.58 C ATOM 330 C VAL A 38 51.024 0.819 55.920 1.00 38.22 C ATOM 331 O VAL A 38 50.968 0.318 54.793 1.00 37.62 O ATOM 332 CB VAL A 38 52.152 3.025 55.440 1.00 41.37 C ATOM 333 CG1 VAL A 38 50.800 3.726 55.557 1.00 42.24 C ATOM 334 CG2 VAL A 38 53.285 3.959 55.858 1.00 42.75 C ATOM 335 H VAL A 38 53.703 0.790 55.085 1.00 0.00 H ATOM 336 N THR A 39 50.116 0.597 56.873 1.00 36.50 N ATOM 337 CA THR A 39 48.910 -0.199 56.657 1.00 36.86 C ATOM 338 C THR A 39 47.706 0.727 56.467 1.00 36.98 C ATOM 339 O THR A 39 47.485 1.630 57.275 1.00 36.22 O ATOM 340 CB THR A 39 48.634 -1.156 57.838 1.00 37.66 C ATOM 341 OG1 THR A 39 49.766 -2.006 58.045 1.00 38.85 O ATOM 342 CG2 THR A 39 47.409 -2.040 57.567 1.00 38.51 C ATOM 343 HG1 THR A 39 50.560 -1.452 58.250 1.00 0.00 H ATOM 344 H THR A 39 50.275 1.010 57.814 1.00 0.00 H ATOM 345 N GLU A 40 46.942 0.497 55.400 1.00 37.41 N ATOM 346 CA GLU A 40 45.703 1.234 55.119 1.00 40.16 C ATOM 347 C GLU A 40 44.519 0.277 55.155 1.00 38.33 C ATOM 348 O GLU A 40 44.520 -0.722 54.442 1.00 39.51 O ATOM 349 CB GLU A 40 45.768 1.904 53.738 1.00 42.79 C ATOM 350 CG GLU A 40 45.954 3.413 53.766 1.00 46.29 C ATOM 351 CD GLU A 40 45.456 4.078 52.493 1.00 49.72 C ATOM 352 OE1 GLU A 40 45.791 3.587 51.387 1.00 50.06 O ATOM 353 OE2 GLU A 40 44.725 5.089 52.603 1.00 51.63 O ATOM 354 H GLU A 40 47.238 -0.243 54.732 1.00 0.00 H ATOM 355 N VAL A 41 43.512 0.590 55.964 1.00 37.40 N ATOM 356 CA VAL A 41 42.342 -0.275 56.128 1.00 38.89 C ATOM 357 C VAL A 41 41.062 0.520 55.881 1.00 39.57 C ATOM 358 O VAL A 41 40.883 1.595 56.445 1.00 38.51 O ATOM 359 CB VAL A 41 42.291 -0.899 57.542 1.00 39.29 C ATOM 360 CG1 VAL A 41 41.074 -1.816 57.693 1.00 39.78 C ATOM 361 CG2 VAL A 41 43.582 -1.655 57.843 1.00 38.96 C ATOM 362 H VAL A 41 43.557 1.481 56.499 1.00 0.00 H ATOM 363 N GLN A 42 40.188 -0.012 55.027 1.00 41.41 N ATOM 364 CA GLN A 42 38.826 0.498 54.862 1.00 43.57 C ATOM 365 C GLN A 42 37.859 -0.630 55.198 1.00 44.11 C ATOM 366 O GLN A 42 37.864 -1.671 54.538 1.00 43.25 O ATOM 367 CB GLN A 42 38.595 0.997 53.432 1.00 44.47 C ATOM 368 CG GLN A 42 37.193 1.538 53.146 1.00 46.38 C ATOM 369 CD GLN A 42 36.850 2.781 53.949 1.00 47.45 C ATOM 370 OE1 GLN A 42 37.401 3.853 53.714 1.00 49.26 O ATOM 371 NE2 GLN A 42 35.925 2.643 54.896 1.00 47.87 N ATOM 372 HE22 GLN A 42 35.484 1.716 55.061 1.00 0.00 H ATOM 373 HE21 GLN A 42 35.643 3.462 55.471 1.00 0.00 H ATOM 374 H GLN A 42 40.487 -0.826 54.452 1.00 0.00 H ATOM 375 N GLN A 43 37.047 -0.419 56.232 1.00 45.77 N ATOM 376 CA GLN A 43 35.995 -1.357 56.610 1.00 48.42 C ATOM 377 C GLN A 43 34.657 -0.838 56.104 1.00 50.42 C ATOM 378 O GLN A 43 34.344 0.340 56.274 1.00 50.16 O ATOM 379 CB GLN A 43 35.946 -1.525 58.128 1.00 48.63 C ATOM 380 CG GLN A 43 34.925 -2.550 58.606 1.00 48.76 C ATOM 381 CD GLN A 43 34.965 -2.786 60.104 1.00 49.00 C ATOM 382 OE1 GLN A 43 35.820 -2.253 60.813 1.00 48.31 O ATOM 383 NE2 GLN A 43 34.034 -3.599 60.594 1.00 49.59 N ATOM 384 HE22 GLN A 43 33.331 -4.028 59.958 1.00 0.00 H ATOM 385 HE21 GLN A 43 34.009 -3.806 61.613 1.00 0.00 H ATOM 386 H GLN A 43 37.167 0.449 56.792 1.00 0.00 H ATOM 387 N ASP A 44 33.885 -1.724 55.474 1.00 53.46 N ATOM 388 CA ASP A 44 32.509 -1.434 55.066 1.00 56.37 C ATOM 389 C ASP A 44 31.636 -2.616 55.482 1.00 55.32 C ATOM 390 O ASP A 44 31.450 -3.571 54.724 1.00 53.68 O ATOM 391 CB ASP A 44 32.426 -1.167 53.555 1.00 58.78 C ATOM 392 CG ASP A 44 31.094 -0.534 53.131 1.00 62.53 C ATOM 393 OD1 ASP A 44 30.118 -0.537 53.916 1.00 64.65 O ATOM 394 OD2 ASP A 44 31.023 -0.025 51.991 1.00 64.47 O ATOM 395 H ASP A 44 34.278 -2.663 55.263 1.00 0.00 H ATOM 396 N GLY A 45 31.118 -2.537 56.707 1.00 55.04 N ATOM 397 CA GLY A 45 30.327 -3.605 57.301 1.00 54.47 C ATOM 398 C GLY A 45 31.201 -4.805 57.609 1.00 54.83 C ATOM 399 O GLY A 45 32.106 -4.724 58.444 1.00 53.74 O ATOM 400 H GLY A 45 31.286 -1.674 57.263 1.00 0.00 H ATOM 401 N GLN A 46 30.926 -5.911 56.923 1.00 55.42 N ATOM 402 CA GLN A 46 31.718 -7.134 57.034 1.00 54.80 C ATOM 403 C GLN A 46 32.909 -7.129 56.069 1.00 50.40 C ATOM 404 O GLN A 46 33.841 -7.913 56.241 1.00 47.13 O ATOM 405 CB GLN A 46 30.839 -8.354 56.745 1.00 59.07 C ATOM 406 CG GLN A 46 29.607 -8.496 57.632 1.00 61.39 C ATOM 407 CD GLN A 46 29.936 -8.998 59.026 1.00 64.91 C ATOM 408 OE1 GLN A 46 29.706 -10.168 59.347 1.00 67.88 O ATOM 409 NE2 GLN A 46 30.481 -8.120 59.860 1.00 66.07 N ATOM 410 HE22 GLN A 46 30.657 -7.144 59.546 1.00 0.00 H ATOM 411 HE21 GLN A 46 30.732 -8.408 60.827 1.00 0.00 H ATOM 412 H GLN A 46 30.110 -5.905 56.278 1.00 0.00 H ATOM 413 N ASP A 47 32.882 -6.247 55.069 1.00 48.30 N ATOM 414 CA ASP A 47 33.899 -6.229 54.017 1.00 47.60 C ATOM 415 C ASP A 47 35.088 -5.341 54.387 1.00 45.84 C ATOM 416 O ASP A 47 34.912 -4.214 54.866 1.00 45.28 O ATOM 417 CB ASP A 47 33.279 -5.772 52.696 1.00 48.38 C ATOM 418 CG ASP A 47 32.089 -6.626 52.284 1.00 50.32 C ATOM 419 OD1 ASP A 47 31.838 -7.675 52.926 1.00 50.22 O ATOM 420 OD2 ASP A 47 31.395 -6.240 51.321 1.00 53.56 O ATOM 421 H ASP A 47 32.112 -5.548 55.036 1.00 0.00 H ATOM 422 N PHE A 48 36.292 -5.867 54.161 1.00 42.93 N ATOM 423 CA PHE A 48 37.540 -5.174 54.476 1.00 41.67 C ATOM 424 C PHE A 48 38.402 -5.045 53.227 1.00 39.53 C ATOM 425 O PHE A 48 38.504 -5.989 52.452 1.00 39.17 O ATOM 426 CB PHE A 48 38.323 -5.962 55.529 1.00 40.53 C ATOM 427 CG PHE A 48 37.818 -5.786 56.928 1.00 39.91 C ATOM 428 CD1 PHE A 48 36.788 -6.585 57.418 1.00 41.15 C ATOM 429 CD2 PHE A 48 38.391 -4.839 57.773 1.00 40.30 C ATOM 430 CE1 PHE A 48 36.329 -6.436 58.724 1.00 41.62 C ATOM 431 CE2 PHE A 48 37.936 -4.680 59.078 1.00 40.41 C ATOM 432 CZ PHE A 48 36.904 -5.481 59.556 1.00 41.14 C ATOM 433 H PHE A 48 36.346 -6.817 53.740 1.00 0.00 H ATOM 434 N THR A 49 39.018 -3.878 53.047 1.00 38.80 N ATOM 435 CA THR A 49 40.099 -3.688 52.074 1.00 38.85 C ATOM 436 C THR A 49 41.358 -3.362 52.875 1.00 37.47 C ATOM 437 O THR A 49 41.384 -2.368 53.596 1.00 36.22 O ATOM 438 CB THR A 49 39.779 -2.543 51.095 1.00 39.62 C ATOM 439 OG1 THR A 49 38.522 -2.798 50.454 1.00 40.65 O ATOM 440 CG2 THR A 49 40.866 -2.404 50.030 1.00 40.11 C ATOM 441 HG1 THR A 49 38.318 -2.061 49.825 1.00 0.00 H ATOM 442 H THR A 49 38.719 -3.065 53.622 1.00 0.00 H ATOM 443 N TRP A 50 42.387 -4.203 52.749 1.00 37.54 N ATOM 444 CA TRP A 50 43.563 -4.167 53.636 1.00 38.43 C ATOM 445 C TRP A 50 44.844 -3.999 52.817 1.00 38.64 C ATOM 446 O TRP A 50 45.219 -4.902 52.076 1.00 40.20 O ATOM 447 CB TRP A 50 43.620 -5.459 54.467 1.00 37.97 C ATOM 448 CG TRP A 50 44.468 -5.367 55.702 1.00 38.09 C ATOM 449 CD1 TRP A 50 45.834 -5.338 55.764 1.00 38.03 C ATOM 450 CD2 TRP A 50 44.004 -5.306 57.056 1.00 37.20 C ATOM 451 NE1 TRP A 50 46.246 -5.254 57.072 1.00 37.79 N ATOM 452 CE2 TRP A 50 45.145 -5.234 57.886 1.00 37.28 C ATOM 453 CE3 TRP A 50 42.734 -5.305 57.650 1.00 36.85 C ATOM 454 CZ2 TRP A 50 45.054 -5.160 59.283 1.00 36.55 C ATOM 455 CZ3 TRP A 50 42.646 -5.228 59.043 1.00 36.30 C ATOM 456 CH2 TRP A 50 43.799 -5.157 59.839 1.00 35.53 C ATOM 457 HE1 TRP A 50 47.235 -5.212 57.392 1.00 0.00 H ATOM 458 H TRP A 50 42.357 -4.915 51.991 1.00 0.00 H ATOM 459 N SER A 51 45.509 -2.853 52.960 1.00 38.68 N ATOM 460 CA SER A 51 46.667 -2.487 52.132 1.00 39.19 C ATOM 461 C SER A 51 47.932 -2.317 52.972 1.00 38.89 C ATOM 462 O SER A 51 47.899 -1.664 54.006 1.00 37.30 O ATOM 463 CB SER A 51 46.389 -1.184 51.372 1.00 39.17 C ATOM 464 OG SER A 51 45.770 -1.439 50.123 1.00 40.98 O ATOM 465 HG SER A 51 46.365 -2.006 49.571 1.00 0.00 H ATOM 466 H SER A 51 45.193 -2.186 53.693 1.00 0.00 H ATOM 467 N GLN A 52 49.037 -2.897 52.511 1.00 40.31 N ATOM 468 CA GLN A 52 50.350 -2.710 53.125 1.00 42.23 C ATOM 469 C GLN A 52 51.255 -2.024 52.115 1.00 42.31 C ATOM 470 O GLN A 52 51.441 -2.540 51.014 1.00 39.63 O ATOM 471 CB GLN A 52 50.942 -4.053 53.533 1.00 43.70 C ATOM 472 CG GLN A 52 50.136 -4.762 54.612 1.00 46.23 C ATOM 473 CD GLN A 52 50.603 -6.179 54.888 1.00 48.56 C ATOM 474 OE1 GLN A 52 51.119 -6.867 54.006 1.00 51.72 O ATOM 475 NE2 GLN A 52 50.411 -6.629 56.122 1.00 50.39 N ATOM 476 HE22 GLN A 52 49.972 -6.015 56.837 1.00 0.00 H ATOM 477 HE21 GLN A 52 50.700 -7.596 56.374 1.00 0.00 H ATOM 478 H GLN A 52 48.963 -3.512 51.675 1.00 0.00 H ATOM 479 N HIS A 53 51.797 -0.866 52.500 1.00 43.69 N ATOM 480 CA HIS A 53 52.691 -0.063 51.661 1.00 44.57 C ATOM 481 C HIS A 53 54.102 -0.111 52.236 1.00 46.35 C ATOM 482 O HIS A 53 54.340 0.375 53.345 1.00 45.94 O ATOM 483 CB HIS A 53 52.226 1.399 51.616 1.00 44.43 C ATOM 484 CG HIS A 53 50.793 1.577 51.219 1.00 45.27 C ATOM 485 ND1 HIS A 53 50.371 1.528 49.909 1.00 46.46 N ATOM 486 CD2 HIS A 53 49.689 1.823 51.961 1.00 45.77 C ATOM 487 CE1 HIS A 53 49.066 1.729 49.861 1.00 45.93 C ATOM 488 NE2 HIS A 53 48.628 1.910 51.093 1.00 46.65 N ATOM 489 H HIS A 53 51.571 -0.513 53.452 1.00 0.00 H ATOM 490 N TYR A 54 55.031 -0.690 51.478 1.00 50.49 N ATOM 491 CA TYR A 54 56.423 -0.858 51.910 1.00 52.02 C ATOM 492 C TYR A 54 57.297 0.262 51.356 1.00 51.67 C ATOM 493 O TYR A 54 56.926 0.928 50.388 1.00 50.06 O ATOM 494 CB TYR A 54 56.956 -2.223 51.456 1.00 54.18 C ATOM 495 CG TYR A 54 56.067 -3.381 51.863 1.00 56.50 C ATOM 496 CD1 TYR A 54 56.199 -3.983 53.115 1.00 58.29 C ATOM 497 CD2 TYR A 54 55.082 -3.868 51.001 1.00 58.52 C ATOM 498 CE1 TYR A 54 55.378 -5.040 53.495 1.00 58.68 C ATOM 499 CE2 TYR A 54 54.258 -4.924 51.370 1.00 59.13 C ATOM 500 CZ TYR A 54 54.407 -5.507 52.618 1.00 59.75 C ATOM 501 OH TYR A 54 53.589 -6.555 52.982 1.00 61.32 O ATOM 502 HH TYR A 54 52.645 -6.257 52.963 1.00 0.00 H ATOM 503 H TYR A 54 54.758 -1.039 50.537 1.00 0.00 H ATOM 504 N SER A 55 58.456 0.463 51.982 1.00 53.22 N ATOM 505 CA SER A 55 59.437 1.456 51.528 1.00 53.99 C ATOM 506 C SER A 55 59.912 1.138 50.114 1.00 55.23 C ATOM 507 O SER A 55 60.252 -0.007 49.815 1.00 54.78 O ATOM 508 CB SER A 55 60.651 1.496 52.462 1.00 52.23 C ATOM 509 OG SER A 55 60.297 1.972 53.742 1.00 50.74 O ATOM 510 HG SER A 55 59.614 1.375 54.138 1.00 0.00 H ATOM 511 H SER A 55 58.674 -0.106 52.825 1.00 0.00 H ATOM 512 N GLY A 56 59.929 2.157 49.257 1.00 57.19 N ATOM 513 CA GLY A 56 60.317 1.999 47.857 1.00 58.40 C ATOM 514 C GLY A 56 59.164 1.628 46.938 1.00 59.40 C ATOM 515 O GLY A 56 59.336 0.823 46.020 1.00 61.77 O ATOM 516 H GLY A 56 59.656 3.101 49.597 1.00 0.00 H ATOM 517 N GLY A 57 57.984 2.192 47.198 1.00 58.79 N ATOM 518 CA GLY A 57 56.862 2.148 46.257 1.00 57.89 C ATOM 519 C GLY A 57 55.978 0.912 46.210 1.00 56.40 C ATOM 520 O GLY A 57 54.876 0.982 45.663 1.00 57.54 O ATOM 521 H GLY A 57 57.855 2.683 48.106 1.00 0.00 H ATOM 522 N HIS A 58 56.432 -0.214 46.763 1.00 54.62 N ATOM 523 CA HIS A 58 55.679 -1.471 46.669 1.00 53.53 C ATOM 524 C HIS A 58 54.418 -1.431 47.532 1.00 52.08 C ATOM 525 O HIS A 58 54.402 -0.792 48.584 1.00 52.37 O ATOM 526 CB HIS A 58 56.552 -2.662 47.072 1.00 52.77 C ATOM 527 H HIS A 58 57.339 -0.201 47.272 1.00 0.00 H ATOM 528 N THR A 59 53.367 -2.106 47.066 1.00 50.65 N ATOM 529 CA THR A 59 52.080 -2.169 47.768 1.00 50.30 C ATOM 530 C THR A 59 51.471 -3.570 47.635 1.00 49.53 C ATOM 531 O THR A 59 51.637 -4.219 46.600 1.00 48.73 O ATOM 532 CB THR A 59 51.087 -1.115 47.223 1.00 50.05 C ATOM 533 OG1 THR A 59 51.632 0.198 47.400 1.00 50.33 O ATOM 534 CG2 THR A 59 49.740 -1.193 47.943 1.00 50.22 C ATOM 535 HG1 THR A 59 51.789 0.362 48.364 1.00 0.00 H ATOM 536 H THR A 59 53.464 -2.612 46.162 1.00 0.00 H ATOM 537 N MET A 60 50.783 -4.024 48.686 1.00 48.40 N ATOM 538 CA MET A 60 50.042 -5.286 48.662 1.00 49.53 C ATOM 539 C MET A 60 48.654 -5.104 49.277 1.00 46.27 C ATOM 540 O MET A 60 48.536 -4.797 50.464 1.00 43.52 O ATOM 541 CB MET A 60 50.815 -6.374 49.418 1.00 53.09 C ATOM 542 CG MET A 60 50.226 -7.770 49.276 1.00 56.88 C ATOM 543 SD MET A 60 50.287 -8.365 47.573 1.00 64.48 S ATOM 544 CE MET A 60 48.665 -9.107 47.404 1.00 64.03 C ATOM 545 H MET A 60 50.773 -3.457 49.558 1.00 0.00 H ATOM 546 N THR A 61 47.614 -5.301 48.464 1.00 44.32 N ATOM 547 CA THR A 61 46.228 -5.136 48.897 1.00 43.39 C ATOM 548 C THR A 61 45.516 -6.482 48.971 1.00 42.59 C ATOM 549 O THR A 61 45.624 -7.292 48.051 1.00 42.92 O ATOM 550 CB THR A 61 45.448 -4.214 47.942 1.00 44.02 C ATOM 551 OG1 THR A 61 46.140 -2.968 47.809 1.00 46.09 O ATOM 552 CG2 THR A 61 44.028 -3.951 48.462 1.00 44.01 C ATOM 553 HG1 THR A 61 46.214 -2.537 48.697 1.00 0.00 H ATOM 554 H THR A 61 47.798 -5.584 47.480 1.00 0.00 H ATOM 555 N ASN A 62 44.794 -6.699 50.072 1.00 41.41 N ATOM 556 CA ASN A 62 43.959 -7.876 50.283 1.00 41.79 C ATOM 557 C ASN A 62 42.529 -7.448 50.598 1.00 42.30 C ATOM 558 O ASN A 62 42.311 -6.605 51.473 1.00 43.00 O ATOM 559 CB ASN A 62 44.499 -8.708 51.440 1.00 42.27 C ATOM 560 CG ASN A 62 45.728 -9.506 51.060 1.00 43.62 C ATOM 561 OD1 ASN A 62 45.653 -10.434 50.252 1.00 45.22 O ATOM 562 ND2 ASN A 62 46.866 -9.161 51.649 1.00 43.95 N ATOM 563 HD22 ASN A 62 46.883 -8.371 52.325 1.00 0.00 H ATOM 564 HD21 ASN A 62 47.741 -9.681 51.435 1.00 0.00 H ATOM 565 H ASN A 62 44.829 -5.984 50.827 1.00 0.00 H ATOM 566 N LYS A 63 41.568 -8.031 49.883 1.00 41.44 N ATOM 567 CA LYS A 63 40.148 -7.767 50.088 1.00 41.62 C ATOM 568 C LYS A 63 39.458 -9.034 50.569 1.00 40.65 C ATOM 569 O LYS A 63 39.587 -10.080 49.940 1.00 41.63 O ATOM 570 CB LYS A 63 39.508 -7.281 48.789 1.00 42.33 C ATOM 571 CG LYS A 63 39.951 -5.888 48.386 1.00 43.60 C ATOM 572 CD LYS A 63 39.318 -5.448 47.072 1.00 45.41 C ATOM 573 CE LYS A 63 39.106 -3.943 47.040 1.00 47.02 C ATOM 574 NZ LYS A 63 37.893 -3.534 47.808 1.00 48.13 N ATOM 575 HZ1 LYS A 63 37.054 -3.990 47.397 1.00 0.00 H ATOM 576 HZ2 LYS A 63 37.997 -3.827 48.800 1.00 0.00 H ATOM 577 HZ3 LYS A 63 37.786 -2.501 47.760 1.00 0.00 H ATOM 578 H LYS A 63 41.844 -8.707 49.143 1.00 0.00 H ATOM 579 N PHE A 64 38.724 -8.932 51.676 1.00 41.35 N ATOM 580 CA PHE A 64 38.055 -10.082 52.286 1.00 41.15 C ATOM 581 C PHE A 64 36.792 -9.672 53.037 1.00 42.39 C ATOM 582 O PHE A 64 36.629 -8.504 53.403 1.00 41.92 O ATOM 583 CB PHE A 64 39.014 -10.813 53.236 1.00 41.29 C ATOM 584 CG PHE A 64 39.503 -9.969 54.384 1.00 41.61 C ATOM 585 CD1 PHE A 64 38.809 -9.942 55.595 1.00 41.16 C ATOM 586 CD2 PHE A 64 40.660 -9.202 54.259 1.00 41.34 C ATOM 587 CE1 PHE A 64 39.256 -9.163 56.654 1.00 41.30 C ATOM 588 CE2 PHE A 64 41.112 -8.421 55.315 1.00 41.38 C ATOM 589 CZ PHE A 64 40.409 -8.400 56.513 1.00 41.48 C ATOM 590 H PHE A 64 38.622 -7.999 52.124 1.00 0.00 H ATOM 591 N THR A 65 35.919 -10.655 53.259 1.00 42.62 N ATOM 592 CA THR A 65 34.675 -10.493 54.011 1.00 43.27 C ATOM 593 C THR A 65 34.733 -11.419 55.219 1.00 43.29 C ATOM 594 O THR A 65 35.190 -12.551 55.100 1.00 44.70 O ATOM 595 CB THR A 65 33.447 -10.859 53.143 1.00 44.19 C ATOM 596 OG1 THR A 65 33.398 -10.013 51.986 1.00 44.59 O ATOM 597 CG2 THR A 65 32.146 -10.702 53.923 1.00 44.64 C ATOM 598 HG1 THR A 65 33.326 -9.068 52.272 1.00 0.00 H ATOM 599 H THR A 65 36.136 -11.596 52.873 1.00 0.00 H ATOM 600 N VAL A 66 34.259 -10.944 56.372 1.00 45.03 N ATOM 601 CA VAL A 66 34.281 -11.730 57.615 1.00 47.48 C ATOM 602 C VAL A 66 33.270 -12.885 57.523 1.00 49.34 C ATOM 603 O VAL A 66 32.109 -12.676 57.157 1.00 48.31 O ATOM 604 CB VAL A 66 33.990 -10.854 58.861 1.00 48.26 C ATOM 605 CG1 VAL A 66 33.886 -11.701 60.128 1.00 49.10 C ATOM 606 CG2 VAL A 66 35.076 -9.799 59.030 1.00 49.65 C ATOM 607 H VAL A 66 33.860 -9.984 56.393 1.00 0.00 H ATOM 608 N GLY A 67 33.731 -14.096 57.840 1.00 50.58 N ATOM 609 CA GLY A 67 32.938 -15.313 57.670 1.00 52.78 C ATOM 610 C GLY A 67 33.012 -15.973 56.295 1.00 53.93 C ATOM 611 O GLY A 67 32.577 -17.117 56.147 1.00 56.37 O ATOM 612 H GLY A 67 34.694 -14.178 58.224 1.00 0.00 H ATOM 613 N LYS A 68 33.550 -15.273 55.292 1.00 54.05 N ATOM 614 CA LYS A 68 33.673 -15.810 53.934 1.00 55.09 C ATOM 615 C LYS A 68 35.114 -16.207 53.649 1.00 57.01 C ATOM 616 O LYS A 68 36.050 -15.605 54.184 1.00 58.01 O ATOM 617 CB LYS A 68 33.217 -14.775 52.906 1.00 55.09 C ATOM 618 H LYS A 68 33.895 -14.310 55.482 1.00 0.00 H ATOM 619 N GLU A 69 35.284 -17.218 52.799 1.00 56.66 N ATOM 620 CA GLU A 69 36.608 -17.717 52.435 1.00 56.31 C ATOM 621 C GLU A 69 37.307 -16.756 51.479 1.00 56.80 C ATOM 622 O GLU A 69 36.652 -16.066 50.695 1.00 56.92 O ATOM 623 CB GLU A 69 36.494 -19.093 51.781 1.00 56.42 C ATOM 624 H GLU A 69 34.445 -17.668 52.380 1.00 0.00 H ATOM 625 N SER A 70 38.634 -16.713 51.557 1.00 56.91 N ATOM 626 CA SER A 70 39.444 -15.908 50.641 1.00 59.15 C ATOM 627 C SER A 70 40.903 -16.376 50.622 1.00 60.00 C ATOM 628 O SER A 70 41.293 -17.262 51.386 1.00 60.10 O ATOM 629 CB SER A 70 39.362 -14.416 51.011 1.00 59.46 C ATOM 630 OG SER A 70 39.869 -14.176 52.311 1.00 59.34 O ATOM 631 HG SER A 70 39.802 -13.210 52.517 1.00 0.00 H ATOM 632 H SER A 70 39.112 -17.270 52.294 1.00 0.00 H ATOM 633 N ASN A 71 41.688 -15.775 49.731 1.00 61.83 N ATOM 634 CA ASN A 71 43.115 -16.034 49.605 1.00 62.81 C ATOM 635 C ASN A 71 43.887 -14.789 50.017 1.00 63.12 C ATOM 636 O ASN A 71 43.774 -13.747 49.366 1.00 64.28 O ATOM 637 CB ASN A 71 43.461 -16.405 48.162 1.00 62.84 C ATOM 638 H ASN A 71 41.257 -15.080 49.088 1.00 0.00 H ATOM 639 N ILE A 72 44.649 -14.899 51.105 1.00 63.62 N ATOM 640 CA ILE A 72 45.499 -13.810 51.595 1.00 64.85 C ATOM 641 C ILE A 72 46.899 -13.921 50.990 1.00 64.83 C ATOM 642 O ILE A 72 47.447 -15.022 50.898 1.00 63.42 O ATOM 643 CB ILE A 72 45.620 -13.845 53.132 1.00 64.00 C ATOM 644 H ILE A 72 44.640 -15.797 51.629 1.00 0.00 H ATOM 645 N GLN A 73 47.462 -12.783 50.580 1.00 65.59 N ATOM 646 CA GLN A 73 48.831 -12.710 50.048 1.00 67.87 C ATOM 647 C GLN A 73 49.748 -11.851 50.924 1.00 69.24 C ATOM 648 O GLN A 73 49.281 -11.035 51.724 1.00 69.31 O ATOM 649 CB GLN A 73 48.833 -12.190 48.604 1.00 67.67 C ATOM 650 CG GLN A 73 48.895 -13.280 47.543 1.00 68.47 C ATOM 651 CD GLN A 73 49.163 -12.741 46.145 1.00 70.05 C ATOM 652 OE1 GLN A 73 48.412 -13.013 45.212 1.00 69.04 O ATOM 653 NE2 GLN A 73 50.243 -11.981 45.995 1.00 71.20 N ATOM 654 HE22 GLN A 73 50.852 -11.776 46.813 1.00 0.00 H ATOM 655 HE21 GLN A 73 50.479 -11.592 45.060 1.00 0.00 H ATOM 656 H GLN A 73 46.906 -11.906 50.639 1.00 0.00 H ATOM 657 N THR A 74 51.055 -12.046 50.742 1.00 70.72 N ATOM 658 CA THR A 74 52.095 -11.428 51.573 1.00 72.92 C ATOM 659 C THR A 74 52.937 -10.423 50.774 1.00 75.87 C ATOM 660 O THR A 74 52.696 -10.211 49.582 1.00 73.57 O ATOM 661 CB THR A 74 53.015 -12.514 52.175 1.00 72.42 C ATOM 662 OG1 THR A 74 53.719 -13.193 51.125 1.00 71.24 O ATOM 663 CG2 THR A 74 52.199 -13.519 52.983 1.00 71.42 C ATOM 664 HG1 THR A 74 53.067 -13.618 50.513 1.00 0.00 H ATOM 665 H THR A 74 51.354 -12.672 49.967 1.00 0.00 H ATOM 666 N MET A 75 53.909 -9.803 51.449 1.00 81.42 N ATOM 667 CA MET A 75 54.868 -8.875 50.824 1.00 84.29 C ATOM 668 C MET A 75 55.597 -9.499 49.638 1.00 85.28 C ATOM 669 O MET A 75 55.566 -8.962 48.529 1.00 88.59 O ATOM 670 CB MET A 75 55.919 -8.414 51.842 1.00 85.28 C ATOM 671 H MET A 75 53.993 -9.985 52.469 1.00 0.00 H ATOM 672 N GLY A 76 56.246 -10.634 49.889 1.00 85.03 N ATOM 673 CA GLY A 76 57.036 -11.335 48.875 1.00 84.81 C ATOM 674 C GLY A 76 56.247 -11.942 47.724 1.00 83.75 C ATOM 675 O GLY A 76 56.789 -12.104 46.630 1.00 83.56 O ATOM 676 H GLY A 76 56.189 -11.040 50.845 1.00 0.00 H ATOM 677 N GLY A 77 54.975 -12.273 47.969 1.00 82.99 N ATOM 678 CA GLY A 77 54.101 -12.900 46.968 1.00 81.10 C ATOM 679 C GLY A 77 53.600 -14.304 47.288 1.00 80.09 C ATOM 680 O GLY A 77 53.021 -14.956 46.416 1.00 79.71 O ATOM 681 H GLY A 77 54.586 -12.077 48.913 1.00 0.00 H ATOM 682 N LYS A 78 53.816 -14.776 48.520 1.00 78.50 N ATOM 683 CA LYS A 78 53.285 -16.070 48.968 1.00 76.71 C ATOM 684 C LYS A 78 51.790 -15.954 49.239 1.00 74.19 C ATOM 685 O LYS A 78 51.331 -14.915 49.712 1.00 71.46 O ATOM 686 CB LYS A 78 53.998 -16.539 50.240 1.00 76.66 C ATOM 687 H LYS A 78 54.379 -14.207 49.184 1.00 0.00 H ATOM 688 N THR A 79 51.049 -17.027 48.955 1.00 72.30 N ATOM 689 CA THR A 79 49.582 -17.044 49.087 1.00 71.95 C ATOM 690 C THR A 79 49.087 -18.247 49.894 1.00 71.54 C ATOM 691 O THR A 79 49.768 -19.270 49.984 1.00 73.41 O ATOM 692 CB THR A 79 48.878 -17.007 47.708 1.00 72.14 C ATOM 693 OG1 THR A 79 47.459 -17.121 47.884 1.00 73.73 O ATOM 694 CG2 THR A 79 49.369 -18.126 46.784 1.00 72.14 C ATOM 695 HG1 THR A 79 47.015 -17.097 47.000 1.00 0.00 H ATOM 696 H THR A 79 51.528 -17.889 48.626 1.00 0.00 H ATOM 697 N PHE A 80 47.892 -18.108 50.471 1.00 70.82 N ATOM 698 CA PHE A 80 47.291 -19.158 51.301 1.00 68.68 C ATOM 699 C PHE A 80 45.798 -18.919 51.537 1.00 67.72 C ATOM 700 O PHE A 80 45.364 -17.775 51.699 1.00 67.12 O ATOM 701 CB PHE A 80 48.013 -19.247 52.649 1.00 68.33 C ATOM 702 H PHE A 80 47.367 -17.222 50.327 1.00 0.00 H ATOM 703 N LYS A 81 45.030 -20.010 51.562 1.00 66.52 N ATOM 704 CA LYS A 81 43.580 -19.962 51.783 1.00 64.66 C ATOM 705 C LYS A 81 43.260 -19.724 53.255 1.00 65.43 C ATOM 706 O LYS A 81 43.958 -20.231 54.137 1.00 68.91 O ATOM 707 CB LYS A 81 42.924 -21.270 51.321 1.00 64.53 C ATOM 708 CG LYS A 81 41.438 -21.377 51.628 1.00 64.10 C ATOM 709 CD LYS A 81 40.776 -22.496 50.843 1.00 63.94 C ATOM 710 CE LYS A 81 39.331 -22.683 51.270 1.00 63.92 C ATOM 711 NZ LYS A 81 38.526 -21.440 51.116 1.00 63.90 N ATOM 712 HZ1 LYS A 81 38.939 -20.686 51.702 1.00 0.00 H ATOM 713 HZ2 LYS A 81 38.530 -21.147 50.118 1.00 0.00 H ATOM 714 HZ3 LYS A 81 37.548 -21.622 51.421 1.00 0.00 H ATOM 715 H LYS A 81 45.480 -20.937 51.418 1.00 0.00 H ATOM 716 N ALA A 82 42.188 -18.973 53.511 1.00 64.47 N ATOM 717 CA ALA A 82 41.764 -18.663 54.878 1.00 63.25 C ATOM 718 C ALA A 82 40.334 -18.117 54.943 1.00 62.34 C ATOM 719 O ALA A 82 39.750 -17.742 53.925 1.00 63.78 O ATOM 720 CB ALA A 82 42.738 -17.673 55.510 1.00 62.26 C ATOM 721 H ALA A 82 41.636 -18.596 52.715 1.00 0.00 H ATOM 722 N THR A 83 39.786 -18.105 56.157 1.00 61.39 N ATOM 723 CA THR A 83 38.513 -17.457 56.470 1.00 61.65 C ATOM 724 C THR A 83 38.729 -16.549 57.683 1.00 60.08 C ATOM 725 O THR A 83 39.148 -17.022 58.741 1.00 59.76 O ATOM 726 CB THR A 83 37.421 -18.499 56.785 1.00 62.84 C ATOM 727 OG1 THR A 83 37.245 -19.362 55.655 1.00 65.27 O ATOM 728 CG2 THR A 83 36.088 -17.825 57.119 1.00 62.85 C ATOM 729 HG1 THR A 83 36.544 -20.031 55.858 1.00 0.00 H ATOM 730 H THR A 83 40.293 -18.585 56.928 1.00 0.00 H ATOM 731 N VAL A 84 38.451 -15.253 57.524 1.00 58.80 N ATOM 732 CA VAL A 84 38.654 -14.274 58.602 1.00 57.76 C ATOM 733 C VAL A 84 37.434 -14.274 59.524 1.00 56.64 C ATOM 734 O VAL A 84 36.306 -14.156 59.050 1.00 55.63 O ATOM 735 CB VAL A 84 38.895 -12.844 58.058 1.00 57.34 C ATOM 736 CG1 VAL A 84 39.225 -11.880 59.197 1.00 56.39 C ATOM 737 CG2 VAL A 84 40.002 -12.844 57.007 1.00 56.87 C ATOM 738 H VAL A 84 38.079 -14.926 56.609 1.00 0.00 H ATOM 739 N GLN A 85 37.672 -14.396 60.830 1.00 57.56 N ATOM 740 CA GLN A 85 36.605 -14.403 61.840 1.00 60.01 C ATOM 741 C GLN A 85 36.703 -13.181 62.756 1.00 59.84 C ATOM 742 O GLN A 85 37.800 -12.788 63.146 1.00 57.69 O ATOM 743 CB GLN A 85 36.685 -15.674 62.697 1.00 60.83 C ATOM 744 CG GLN A 85 36.532 -16.987 61.932 1.00 62.59 C ATOM 745 CD GLN A 85 35.131 -17.225 61.376 1.00 64.55 C ATOM 746 OE1 GLN A 85 34.187 -16.484 61.664 1.00 64.92 O ATOM 747 NE2 GLN A 85 34.992 -18.277 60.574 1.00 65.99 N ATOM 748 HE22 GLN A 85 35.813 -18.877 60.356 1.00 0.00 H ATOM 749 HE21 GLN A 85 34.062 -18.500 60.165 1.00 0.00 H ATOM 750 H GLN A 85 38.658 -14.490 61.148 1.00 0.00 H ATOM 751 N MET A 86 35.551 -12.594 63.089 1.00 63.07 N ATOM 752 CA MET A 86 35.455 -11.548 64.118 1.00 65.57 C ATOM 753 C MET A 86 35.242 -12.224 65.468 1.00 63.47 C ATOM 754 O MET A 86 34.187 -12.815 65.700 1.00 66.38 O ATOM 755 CB MET A 86 34.294 -10.581 63.833 1.00 70.22 C ATOM 756 CG MET A 86 34.677 -9.346 63.030 1.00 74.27 C ATOM 757 SD MET A 86 35.381 -8.033 64.051 1.00 81.17 S ATOM 758 CE MET A 86 35.571 -6.728 62.838 1.00 79.72 C ATOM 759 H MET A 86 34.683 -12.890 62.599 1.00 0.00 H ATOM 760 N GLU A 87 36.241 -12.139 66.347 1.00 60.67 N ATOM 761 CA GLU A 87 36.165 -12.715 67.693 1.00 58.70 C ATOM 762 C GLU A 87 36.565 -11.666 68.736 1.00 54.98 C ATOM 763 O GLU A 87 37.749 -11.389 68.922 1.00 53.55 O ATOM 764 CB GLU A 87 37.057 -13.959 67.788 1.00 61.71 C ATOM 765 CG GLU A 87 36.528 -15.151 66.993 1.00 64.66 C ATOM 766 CD GLU A 87 37.566 -16.241 66.756 1.00 67.49 C ATOM 767 OE1 GLU A 87 37.612 -16.784 65.630 1.00 69.64 O ATOM 768 OE2 GLU A 87 38.334 -16.565 67.688 1.00 68.94 O ATOM 769 H GLU A 87 37.111 -11.643 66.066 1.00 0.00 H ATOM 770 N GLY A 88 35.566 -11.078 69.394 1.00 52.80 N ATOM 771 CA GLY A 88 35.777 -10.098 70.469 1.00 52.43 C ATOM 772 C GLY A 88 36.503 -8.827 70.056 1.00 51.87 C ATOM 773 O GLY A 88 37.334 -8.313 70.808 1.00 54.25 O ATOM 774 H GLY A 88 34.590 -11.325 69.134 1.00 0.00 H ATOM 775 N GLY A 89 36.204 -8.327 68.858 1.00 49.07 N ATOM 776 CA GLY A 89 36.897 -7.162 68.303 1.00 49.45 C ATOM 777 C GLY A 89 38.200 -7.439 67.561 1.00 47.44 C ATOM 778 O GLY A 89 38.765 -6.527 66.960 1.00 45.00 O ATOM 779 H GLY A 89 35.453 -8.779 68.298 1.00 0.00 H ATOM 780 N LYS A 90 38.685 -8.682 67.604 1.00 46.67 N ATOM 781 CA LYS A 90 39.840 -9.100 66.815 1.00 45.75 C ATOM 782 C LYS A 90 39.379 -9.720 65.503 1.00 44.35 C ATOM 783 O LYS A 90 38.376 -10.428 65.474 1.00 46.11 O ATOM 784 CB LYS A 90 40.655 -10.160 67.557 1.00 46.10 C ATOM 785 CG LYS A 90 41.296 -9.712 68.854 1.00 46.45 C ATOM 786 CD LYS A 90 42.114 -10.855 69.438 1.00 47.44 C ATOM 787 CE LYS A 90 43.104 -10.382 70.485 1.00 47.68 C ATOM 788 NZ LYS A 90 44.051 -11.479 70.827 1.00 48.69 N ATOM 789 HZ1 LYS A 90 43.519 -12.290 71.202 1.00 0.00 H ATOM 790 HZ2 LYS A 90 44.569 -11.767 69.972 1.00 0.00 H ATOM 791 HZ3 LYS A 90 44.724 -11.143 71.545 1.00 0.00 H ATOM 792 H LYS A 90 38.223 -9.379 68.223 1.00 0.00 H ATOM 793 N LEU A 91 40.116 -9.453 64.429 1.00 42.45 N ATOM 794 CA LEU A 91 40.048 -10.269 63.221 1.00 42.03 C ATOM 795 C LEU A 91 41.002 -11.431 63.439 1.00 41.22 C ATOM 796 O LEU A 91 42.140 -11.209 63.838 1.00 38.82 O ATOM 797 CB LEU A 91 40.486 -9.483 61.990 1.00 42.52 C ATOM 798 CG LEU A 91 39.618 -8.292 61.592 1.00 43.46 C ATOM 799 CD1 LEU A 91 40.308 -7.482 60.504 1.00 43.22 C ATOM 800 CD2 LEU A 91 38.251 -8.763 61.127 1.00 44.36 C ATOM 801 H LEU A 91 40.761 -8.637 64.450 1.00 0.00 H ATOM 802 N VAL A 92 40.542 -12.656 63.191 1.00 41.70 N ATOM 803 CA VAL A 92 41.353 -13.857 63.413 1.00 42.60 C ATOM 804 C VAL A 92 41.407 -14.708 62.144 1.00 43.27 C ATOM 805 O VAL A 92 40.393 -14.910 61.480 1.00 41.59 O ATOM 806 CB VAL A 92 40.821 -14.685 64.602 1.00 43.32 C ATOM 807 CG1 VAL A 92 41.625 -15.970 64.781 1.00 44.49 C ATOM 808 CG2 VAL A 92 40.858 -13.853 65.876 1.00 43.34 C ATOM 809 H VAL A 92 39.574 -12.764 62.827 1.00 0.00 H ATOM 810 N VAL A 93 42.605 -15.197 61.828 1.00 45.69 N ATOM 811 CA VAL A 93 42.854 -16.014 60.641 1.00 48.70 C ATOM 812 C VAL A 93 43.560 -17.290 61.075 1.00 50.97 C ATOM 813 O VAL A 93 44.335 -17.285 62.038 1.00 50.90 O ATOM 814 CB VAL A 93 43.703 -15.248 59.601 1.00 49.95 C ATOM 815 CG1 VAL A 93 44.103 -16.141 58.429 1.00 51.35 C ATOM 816 CG2 VAL A 93 42.937 -14.034 59.106 1.00 50.12 C ATOM 817 H VAL A 93 43.405 -14.987 62.458 1.00 0.00 H ATOM 818 N ASN A 94 43.263 -18.379 60.368 1.00 53.27 N ATOM 819 CA ASN A 94 43.863 -19.680 60.623 1.00 55.60 C ATOM 820 C ASN A 94 44.209 -20.414 59.331 1.00 57.02 C ATOM 821 O ASN A 94 43.541 -20.260 58.306 1.00 58.51 O ATOM 822 CB ASN A 94 42.929 -20.535 61.481 1.00 55.51 C ATOM 823 CG ASN A 94 42.968 -20.145 62.941 1.00 56.01 C ATOM 824 OD1 ASN A 94 42.073 -19.465 63.437 1.00 55.76 O ATOM 825 ND2 ASN A 94 44.017 -20.563 63.635 1.00 57.29 N ATOM 826 HD22 ASN A 94 44.751 -21.137 63.173 1.00 0.00 H ATOM 827 HD21 ASN A 94 44.106 -20.317 64.642 1.00 0.00 H ATOM 828 H ASN A 94 42.570 -18.296 59.597 1.00 0.00 H ATOM 829 N PHE A 95 45.274 -21.199 59.407 1.00 57.75 N ATOM 830 CA PHE A 95 45.750 -22.026 58.307 1.00 57.92 C ATOM 831 C PHE A 95 46.655 -23.089 58.924 1.00 57.84 C ATOM 832 O PHE A 95 46.948 -23.011 60.120 1.00 58.01 O ATOM 833 CB PHE A 95 46.524 -21.176 57.297 1.00 57.51 C ATOM 834 H PHE A 95 45.800 -21.226 60.304 1.00 0.00 H ATOM 835 N PRO A 96 47.096 -24.085 58.129 1.00 58.38 N ATOM 836 CA PRO A 96 48.012 -25.111 58.646 1.00 57.78 C ATOM 837 C PRO A 96 49.239 -24.538 59.381 1.00 57.79 C ATOM 838 O PRO A 96 50.129 -23.957 58.754 1.00 59.62 O ATOM 839 CB PRO A 96 48.419 -25.879 57.383 1.00 57.20 C ATOM 840 CG PRO A 96 47.238 -25.750 56.486 1.00 57.18 C ATOM 841 CD PRO A 96 46.641 -24.399 56.760 1.00 57.91 C ATOM 842 N ASN A 97 49.238 -24.679 60.707 1.00 56.68 N ATOM 843 CA ASN A 97 50.327 -24.220 61.581 1.00 56.57 C ATOM 844 C ASN A 97 50.570 -22.704 61.524 1.00 57.51 C ATOM 845 O ASN A 97 51.718 -22.248 61.505 1.00 58.11 O ATOM 846 CB ASN A 97 51.619 -25.004 61.292 1.00 56.99 C ATOM 847 CG ASN A 97 51.409 -26.511 61.329 1.00 57.17 C ATOM 848 OD1 ASN A 97 50.955 -27.063 62.333 1.00 55.41 O ATOM 849 ND2 ASN A 97 51.737 -27.181 60.231 1.00 57.60 N ATOM 850 HD22 ASN A 97 52.117 -26.674 59.406 1.00 0.00 H ATOM 851 HD21 ASN A 97 51.614 -28.213 60.195 1.00 0.00 H ATOM 852 H ASN A 97 48.418 -25.141 61.149 1.00 0.00 H ATOM 853 N TYR A 98 49.478 -21.935 61.513 1.00 57.18 N ATOM 854 CA TYR A 98 49.541 -20.474 61.428 1.00 56.33 C ATOM 855 C TYR A 98 48.314 -19.815 62.065 1.00 53.77 C ATOM 856 O TYR A 98 47.190 -20.034 61.614 1.00 53.75 O ATOM 857 CB TYR A 98 49.659 -20.031 59.967 1.00 58.43 C ATOM 858 CG TYR A 98 49.859 -18.539 59.810 1.00 60.70 C ATOM 859 CD1 TYR A 98 51.102 -17.962 60.042 1.00 61.27 C ATOM 860 CD2 TYR A 98 48.801 -17.701 59.448 1.00 62.21 C ATOM 861 CE1 TYR A 98 51.298 -16.598 59.913 1.00 62.44 C ATOM 862 CE2 TYR A 98 48.988 -16.331 59.311 1.00 62.69 C ATOM 863 CZ TYR A 98 50.242 -15.785 59.549 1.00 63.02 C ATOM 864 OH TYR A 98 50.461 -14.436 59.423 1.00 65.64 O ATOM 865 HH TYR A 98 49.873 -13.947 60.052 1.00 0.00 H ATOM 866 H TYR A 98 48.545 -22.392 61.567 1.00 0.00 H ATOM 867 N HIS A 99 48.547 -19.010 63.102 1.00 50.62 N ATOM 868 CA HIS A 99 47.497 -18.251 63.782 1.00 49.42 C ATOM 869 C HIS A 99 47.845 -16.764 63.723 1.00 48.22 C ATOM 870 O HIS A 99 48.945 -16.370 64.112 1.00 48.71 O ATOM 871 CB HIS A 99 47.370 -18.719 65.233 1.00 50.13 C ATOM 872 CG HIS A 99 46.367 -17.949 66.033 1.00 50.70 C ATOM 873 ND1 HIS A 99 45.009 -18.053 65.824 1.00 51.19 N ATOM 874 CD2 HIS A 99 46.525 -17.064 67.045 1.00 50.66 C ATOM 875 CE1 HIS A 99 44.374 -17.266 66.673 1.00 51.15 C ATOM 876 NE2 HIS A 99 45.271 -16.654 67.425 1.00 51.07 N ATOM 877 H HIS A 99 49.524 -18.917 63.445 1.00 0.00 H ATOM 878 N GLN A 100 46.911 -15.951 63.231 1.00 47.06 N ATOM 879 CA GLN A 100 47.120 -14.513 63.053 1.00 46.51 C ATOM 880 C GLN A 100 45.928 -13.736 63.591 1.00 44.28 C ATOM 881 O GLN A 100 44.787 -14.106 63.333 1.00 42.49 O ATOM 882 CB GLN A 100 47.324 -14.189 61.569 1.00 48.14 C ATOM 883 CG GLN A 100 47.553 -12.717 61.240 1.00 49.46 C ATOM 884 CD GLN A 100 47.429 -12.426 59.756 1.00 50.90 C ATOM 885 OE1 GLN A 100 46.628 -11.591 59.343 1.00 53.40 O ATOM 886 NE2 GLN A 100 48.215 -13.120 58.947 1.00 52.11 N ATOM 887 HE22 GLN A 100 48.879 -13.818 59.339 1.00 0.00 H ATOM 888 HE21 GLN A 100 48.168 -12.967 57.919 1.00 0.00 H ATOM 889 H GLN A 100 45.992 -16.356 62.961 1.00 0.00 H ATOM 890 N THR A 101 46.203 -12.653 64.320 1.00 42.91 N ATOM 891 CA THR A 101 45.163 -11.747 64.816 1.00 40.33 C ATOM 892 C THR A 101 45.497 -10.288 64.497 1.00 39.63 C ATOM 893 O THR A 101 46.666 -9.907 64.477 1.00 37.56 O ATOM 894 CB THR A 101 44.947 -11.884 66.339 1.00 40.78 C ATOM 895 OG1 THR A 101 46.092 -11.396 67.049 1.00 40.65 O ATOM 896 CG2 THR A 101 44.692 -13.337 66.727 1.00 41.57 C ATOM 897 HG1 THR A 101 46.235 -10.442 66.827 1.00 0.00 H ATOM 898 H THR A 101 47.196 -12.443 64.546 1.00 0.00 H ATOM 899 N SER A 102 44.456 -9.492 64.249 1.00 38.69 N ATOM 900 CA SER A 102 44.566 -8.044 64.098 1.00 39.30 C ATOM 901 C SER A 102 43.564 -7.368 65.027 1.00 39.99 C ATOM 902 O SER A 102 42.426 -7.819 65.148 1.00 38.72 O ATOM 903 CB SER A 102 44.293 -7.636 62.656 1.00 38.55 C ATOM 904 OG SER A 102 45.229 -8.232 61.789 1.00 39.54 O ATOM 905 HG SER A 102 45.037 -7.956 60.858 1.00 0.00 H ATOM 906 H SER A 102 43.515 -9.926 64.158 1.00 0.00 H ATOM 907 N GLU A 103 43.985 -6.280 65.664 1.00 41.47 N ATOM 908 CA GLU A 103 43.183 -5.636 66.702 1.00 44.21 C ATOM 909 C GLU A 103 43.491 -4.147 66.803 1.00 44.04 C ATOM 910 O GLU A 103 44.630 -3.733 66.580 1.00 42.26 O ATOM 911 CB GLU A 103 43.467 -6.304 68.046 1.00 46.97 C ATOM 912 CG GLU A 103 42.521 -5.904 69.167 1.00 50.78 C ATOM 913 CD GLU A 103 42.755 -6.697 70.440 1.00 54.47 C ATOM 914 OE1 GLU A 103 43.922 -7.040 70.729 1.00 56.80 O ATOM 915 OE2 GLU A 103 41.770 -6.975 71.157 1.00 58.65 O ATOM 916 H GLU A 103 44.911 -5.876 65.417 1.00 0.00 H ATOM 917 N ILE A 104 42.469 -3.359 67.143 1.00 44.42 N ATOM 918 CA ILE A 104 42.635 -1.941 67.465 1.00 45.30 C ATOM 919 C ILE A 104 42.633 -1.794 68.986 1.00 47.64 C ATOM 920 O ILE A 104 41.633 -2.096 69.640 1.00 49.88 O ATOM 921 CB ILE A 104 41.516 -1.070 66.857 1.00 44.30 C ATOM 922 CG1 ILE A 104 41.472 -1.217 65.330 1.00 43.61 C ATOM 923 CG2 ILE A 104 41.692 0.396 67.250 1.00 45.29 C ATOM 924 CD1 ILE A 104 42.610 -0.561 64.574 1.00 43.35 C ATOM 925 H ILE A 104 41.514 -3.770 67.181 1.00 0.00 H ATOM 926 N VAL A 105 43.755 -1.338 69.536 1.00 49.49 N ATOM 927 CA VAL A 105 43.911 -1.134 70.978 1.00 51.48 C ATOM 928 C VAL A 105 44.262 0.336 71.217 1.00 53.61 C ATOM 929 O VAL A 105 45.433 0.714 71.162 1.00 54.44 O ATOM 930 CB VAL A 105 45.000 -2.068 71.560 1.00 50.49 C ATOM 931 CG1 VAL A 105 45.224 -1.799 73.049 1.00 50.46 C ATOM 932 CG2 VAL A 105 44.622 -3.525 71.323 1.00 49.84 C ATOM 933 H VAL A 105 44.558 -1.116 68.914 1.00 0.00 H ATOM 934 N GLY A 106 43.234 1.155 71.453 1.00 56.27 N ATOM 935 CA GLY A 106 43.396 2.589 71.727 1.00 56.35 C ATOM 936 C GLY A 106 44.086 3.362 70.616 1.00 57.30 C ATOM 937 O GLY A 106 45.162 3.926 70.827 1.00 59.18 O ATOM 938 H GLY A 106 42.273 0.759 71.442 1.00 0.00 H ATOM 939 N ASP A 107 43.461 3.383 69.437 1.00 57.39 N ATOM 940 CA ASP A 107 44.040 3.982 68.221 1.00 58.14 C ATOM 941 C ASP A 107 45.445 3.437 67.872 1.00 56.72 C ATOM 942 O ASP A 107 46.356 4.193 67.512 1.00 58.92 O ATOM 943 CB ASP A 107 44.024 5.525 68.304 1.00 60.87 C ATOM 944 CG ASP A 107 42.662 6.120 67.961 1.00 62.79 C ATOM 945 OD1 ASP A 107 41.626 5.486 68.258 1.00 66.67 O ATOM 946 OD2 ASP A 107 42.630 7.231 67.389 1.00 64.30 O ATOM 947 H ASP A 107 42.516 2.954 69.373 1.00 0.00 H ATOM 948 N LYS A 108 45.607 2.121 67.995 1.00 52.42 N ATOM 949 CA LYS A 108 46.802 1.427 67.516 1.00 49.43 C ATOM 950 C LYS A 108 46.419 0.086 66.913 1.00 44.64 C ATOM 951 O LYS A 108 45.726 -0.702 67.549 1.00 44.72 O ATOM 952 CB LYS A 108 47.798 1.204 68.651 1.00 50.04 C ATOM 953 CG LYS A 108 48.390 2.489 69.191 1.00 50.72 C ATOM 954 CD LYS A 108 49.624 2.229 70.030 1.00 51.05 C ATOM 955 CE LYS A 108 50.302 3.526 70.433 1.00 52.56 C ATOM 956 NZ LYS A 108 50.693 4.369 69.266 1.00 52.39 N ATOM 957 HZ1 LYS A 108 51.356 3.840 68.664 1.00 0.00 H ATOM 958 HZ2 LYS A 108 49.844 4.614 68.717 1.00 0.00 H ATOM 959 HZ3 LYS A 108 51.150 5.239 69.606 1.00 0.00 H ATOM 960 H LYS A 108 44.855 1.565 68.449 1.00 0.00 H ATOM 961 N LEU A 109 46.875 -0.166 65.691 1.00 40.80 N ATOM 962 CA LEU A 109 46.715 -1.471 65.066 1.00 37.78 C ATOM 963 C LEU A 109 47.777 -2.411 65.638 1.00 36.62 C ATOM 964 O LEU A 109 48.975 -2.165 65.478 1.00 35.98 O ATOM 965 CB LEU A 109 46.850 -1.360 63.545 1.00 36.98 C ATOM 966 CG LEU A 109 46.693 -2.639 62.714 1.00 36.54 C ATOM 967 CD1 LEU A 109 45.386 -3.357 63.015 1.00 36.37 C ATOM 968 CD2 LEU A 109 46.791 -2.307 61.235 1.00 36.17 C ATOM 969 H LEU A 109 47.360 0.590 65.166 1.00 0.00 H ATOM 970 N VAL A 110 47.333 -3.454 66.338 1.00 35.19 N ATOM 971 CA VAL A 110 48.221 -4.488 66.874 1.00 34.14 C ATOM 972 C VAL A 110 47.964 -5.778 66.103 1.00 34.47 C ATOM 973 O VAL A 110 46.832 -6.270 66.078 1.00 33.12 O ATOM 974 CB VAL A 110 47.992 -4.720 68.381 1.00 33.63 C ATOM 975 CG1 VAL A 110 48.863 -5.864 68.897 1.00 33.58 C ATOM 976 CG2 VAL A 110 48.278 -3.440 69.158 1.00 34.23 C ATOM 977 H VAL A 110 46.311 -3.538 66.511 1.00 0.00 H ATOM 978 N GLU A 111 49.017 -6.309 65.478 1.00 34.28 N ATOM 979 CA GLU A 111 48.936 -7.514 64.658 1.00 35.22 C ATOM 980 C GLU A 111 49.850 -8.585 65.233 1.00 35.97 C ATOM 981 O GLU A 111 51.059 -8.382 65.304 1.00 36.16 O ATOM 982 CB GLU A 111 49.348 -7.205 63.221 1.00 35.47 C ATOM 983 CG GLU A 111 48.309 -6.402 62.459 1.00 35.98 C ATOM 984 CD GLU A 111 48.842 -5.835 61.163 1.00 36.41 C ATOM 985 OE1 GLU A 111 48.259 -6.123 60.098 1.00 39.36 O ATOM 986 OE2 GLU A 111 49.841 -5.095 61.203 1.00 37.14 O ATOM 987 H GLU A 111 49.940 -5.841 65.580 1.00 0.00 H ATOM 988 N VAL A 112 49.264 -9.710 65.645 1.00 36.85 N ATOM 989 CA VAL A 112 50.012 -10.844 66.187 1.00 37.76 C ATOM 990 C VAL A 112 49.966 -12.010 65.206 1.00 39.08 C ATOM 991 O VAL A 112 48.906 -12.303 64.653 1.00 40.53 O ATOM 992 CB VAL A 112 49.444 -11.312 67.541 1.00 38.29 C ATOM 993 CG1 VAL A 112 50.283 -12.454 68.115 1.00 38.38 C ATOM 994 CG2 VAL A 112 49.363 -10.143 68.522 1.00 38.64 C ATOM 995 H VAL A 112 48.229 -9.784 65.578 1.00 0.00 H ATOM 996 N SER A 113 51.116 -12.654 64.993 1.00 40.22 N ATOM 997 CA SER A 113 51.225 -13.875 64.185 1.00 41.30 C ATOM 998 C SER A 113 52.043 -14.927 64.942 1.00 42.04 C ATOM 999 O SER A 113 53.157 -14.632 65.383 1.00 41.26 O ATOM 1000 CB SER A 113 51.906 -13.574 62.851 1.00 41.40 C ATOM 1001 OG SER A 113 51.051 -12.862 61.981 1.00 42.66 O ATOM 1002 HG SER A 113 51.523 -12.684 61.129 1.00 0.00 H ATOM 1003 H SER A 113 51.982 -12.270 65.423 1.00 0.00 H ATOM 1004 N THR A 114 51.499 -16.140 65.078 1.00 42.59 N ATOM 1005 CA THR A 114 52.176 -17.244 65.770 1.00 45.89 C ATOM 1006 C THR A 114 52.368 -18.459 64.850 1.00 48.90 C ATOM 1007 O THR A 114 51.414 -18.913 64.206 1.00 49.79 O ATOM 1008 CB THR A 114 51.391 -17.689 67.024 1.00 46.67 C ATOM 1009 OG1 THR A 114 51.211 -16.571 67.906 1.00 48.65 O ATOM 1010 CG2 THR A 114 52.128 -18.803 67.775 1.00 46.20 C ATOM 1011 HG1 THR A 114 52.096 -16.222 68.180 1.00 0.00 H ATOM 1012 H THR A 114 50.555 -16.309 64.676 1.00 0.00 H ATOM 1013 N ILE A 115 53.605 -18.958 64.789 1.00 50.85 N ATOM 1014 CA ILE A 115 53.935 -20.237 64.143 1.00 52.82 C ATOM 1015 C ILE A 115 54.828 -21.034 65.093 1.00 52.71 C ATOM 1016 O ILE A 115 55.912 -20.574 65.464 1.00 50.76 O ATOM 1017 CB ILE A 115 54.695 -20.064 62.808 1.00 55.10 C ATOM 1018 CG1 ILE A 115 53.914 -19.171 61.847 1.00 55.71 C ATOM 1019 CG2 ILE A 115 54.960 -21.432 62.167 1.00 56.50 C ATOM 1020 CD1 ILE A 115 54.691 -18.746 60.617 1.00 56.97 C ATOM 1021 H ILE A 115 54.377 -18.412 65.222 1.00 0.00 H ATOM 1022 N GLY A 116 54.374 -22.229 65.468 1.00 53.34 N ATOM 1023 CA GLY A 116 55.031 -23.021 66.502 1.00 53.73 C ATOM 1024 C GLY A 116 54.955 -22.291 67.830 1.00 52.31 C ATOM 1025 O GLY A 116 53.882 -21.833 68.227 1.00 53.68 O ATOM 1026 H GLY A 116 53.523 -22.610 65.008 1.00 0.00 H ATOM 1027 N GLY A 117 56.099 -22.169 68.500 1.00 51.16 N ATOM 1028 CA GLY A 117 56.227 -21.342 69.702 1.00 50.31 C ATOM 1029 C GLY A 117 56.861 -19.976 69.461 1.00 48.69 C ATOM 1030 O GLY A 117 57.378 -19.376 70.403 1.00 48.06 O ATOM 1031 H GLY A 117 56.936 -22.682 68.156 1.00 0.00 H ATOM 1032 N VAL A 118 56.826 -19.485 68.215 1.00 46.82 N ATOM 1033 CA VAL A 118 57.368 -18.169 67.855 1.00 44.33 C ATOM 1034 C VAL A 118 56.214 -17.218 67.552 1.00 41.36 C ATOM 1035 O VAL A 118 55.520 -17.380 66.549 1.00 40.17 O ATOM 1036 CB VAL A 118 58.313 -18.250 66.632 1.00 44.97 C ATOM 1037 CG1 VAL A 118 58.804 -16.862 66.220 1.00 45.23 C ATOM 1038 CG2 VAL A 118 59.496 -19.157 66.936 1.00 45.80 C ATOM 1039 H VAL A 118 56.394 -20.064 67.467 1.00 0.00 H ATOM 1040 N THR A 119 56.028 -16.232 68.425 1.00 39.66 N ATOM 1041 CA THR A 119 55.013 -15.196 68.267 1.00 39.23 C ATOM 1042 C THR A 119 55.651 -13.884 67.782 1.00 37.88 C ATOM 1043 O THR A 119 56.565 -13.360 68.416 1.00 37.06 O ATOM 1044 CB THR A 119 54.265 -14.981 69.596 1.00 39.46 C ATOM 1045 OG1 THR A 119 53.558 -16.183 69.924 1.00 41.64 O ATOM 1046 CG2 THR A 119 53.259 -13.830 69.503 1.00 40.12 C ATOM 1047 HG1 THR A 119 52.912 -16.391 69.203 1.00 0.00 H ATOM 1048 H THR A 119 56.639 -16.198 69.266 1.00 0.00 H ATOM 1049 N TYR A 120 55.159 -13.376 66.652 1.00 37.48 N ATOM 1050 CA TYR A 120 55.552 -12.067 66.110 1.00 36.41 C ATOM 1051 C TYR A 120 54.431 -11.060 66.368 1.00 36.35 C ATOM 1052 O TYR A 120 53.276 -11.346 66.073 1.00 36.38 O ATOM 1053 CB TYR A 120 55.836 -12.186 64.606 1.00 35.67 C ATOM 1054 CG TYR A 120 55.962 -10.873 63.850 1.00 35.25 C ATOM 1055 CD1 TYR A 120 57.167 -10.166 63.827 1.00 35.70 C ATOM 1056 CD2 TYR A 120 54.881 -10.348 63.141 1.00 34.85 C ATOM 1057 CE1 TYR A 120 57.285 -8.969 63.129 1.00 35.49 C ATOM 1058 CE2 TYR A 120 54.986 -9.151 62.443 1.00 35.04 C ATOM 1059 CZ TYR A 120 56.188 -8.466 62.434 1.00 35.57 C ATOM 1060 OH TYR A 120 56.291 -7.281 61.737 1.00 36.00 O ATOM 1061 HH TYR A 120 57.209 -6.922 61.832 1.00 0.00 H ATOM 1062 H TYR A 120 54.459 -13.936 66.125 1.00 0.00 H ATOM 1063 N GLU A 121 54.774 -9.897 66.925 1.00 37.02 N ATOM 1064 CA GLU A 121 53.827 -8.793 67.121 1.00 38.01 C ATOM 1065 C GLU A 121 54.281 -7.585 66.309 1.00 37.58 C ATOM 1066 O GLU A 121 55.471 -7.309 66.228 1.00 37.57 O ATOM 1067 CB GLU A 121 53.709 -8.400 68.602 1.00 40.63 C ATOM 1068 CG GLU A 121 52.567 -7.416 68.887 1.00 43.06 C ATOM 1069 CD GLU A 121 52.593 -6.813 70.284 1.00 45.33 C ATOM 1070 OE1 GLU A 121 51.565 -6.907 70.991 1.00 48.78 O ATOM 1071 OE2 GLU A 121 53.627 -6.226 70.678 1.00 47.20 O ATOM 1072 H GLU A 121 55.758 -9.767 67.235 1.00 0.00 H ATOM 1073 N ARG A 122 53.325 -6.880 65.707 1.00 37.20 N ATOM 1074 CA ARG A 122 53.567 -5.583 65.072 1.00 35.68 C ATOM 1075 C ARG A 122 52.576 -4.575 65.660 1.00 34.10 C ATOM 1076 O ARG A 122 51.380 -4.851 65.707 1.00 33.26 O ATOM 1077 CB ARG A 122 53.375 -5.709 63.564 1.00 37.53 C ATOM 1078 CG ARG A 122 53.704 -4.455 62.766 1.00 39.14 C ATOM 1079 CD ARG A 122 53.274 -4.616 61.320 1.00 39.82 C ATOM 1080 NE ARG A 122 54.078 -5.618 60.623 1.00 41.85 N ATOM 1081 CZ ARG A 122 53.760 -6.197 59.462 1.00 43.25 C ATOM 1082 NH1 ARG A 122 52.624 -5.910 58.826 1.00 44.22 N ATOM 1083 NH2 ARG A 122 54.592 -7.090 58.931 1.00 44.56 N ATOM 1084 HE ARG A 122 54.973 -5.904 61.069 1.00 0.00 H ATOM 1085 HH12 ARG A 122 52.402 -6.376 57.923 1.00 0.00 H ATOM 1086 HH11 ARG A 122 51.960 -5.220 59.233 1.00 0.00 H ATOM 1087 HH22 ARG A 122 54.356 -7.548 58.028 1.00 0.00 H ATOM 1088 HH21 ARG A 122 55.478 -7.330 59.420 1.00 0.00 H ATOM 1089 H ARG A 122 52.361 -7.269 65.687 1.00 0.00 H ATOM 1090 N VAL A 123 53.075 -3.429 66.129 1.00 31.49 N ATOM 1091 CA VAL A 123 52.225 -2.329 66.606 1.00 30.27 C ATOM 1092 C VAL A 123 52.408 -1.151 65.649 1.00 30.04 C ATOM 1093 O VAL A 123 53.542 -0.759 65.358 1.00 28.53 O ATOM 1094 CB VAL A 123 52.565 -1.908 68.057 1.00 30.12 C ATOM 1095 CG1 VAL A 123 51.609 -0.819 68.554 1.00 29.46 C ATOM 1096 CG2 VAL A 123 52.531 -3.121 68.987 1.00 30.58 C ATOM 1097 H VAL A 123 54.108 -3.310 66.158 1.00 0.00 H ATOM 1098 N SER A 124 51.296 -0.607 65.154 1.00 30.99 N ATOM 1099 CA SER A 124 51.320 0.502 64.197 1.00 32.14 C ATOM 1100 C SER A 124 50.459 1.684 64.662 1.00 33.61 C ATOM 1101 O SER A 124 49.295 1.513 65.019 1.00 34.00 O ATOM 1102 CB SER A 124 50.856 0.025 62.825 1.00 31.07 C ATOM 1103 OG SER A 124 51.708 -0.997 62.343 1.00 30.37 O ATOM 1104 HG SER A 124 51.694 -1.761 62.972 1.00 0.00 H ATOM 1105 H SER A 124 50.376 -0.984 65.459 1.00 0.00 H ATOM 1106 N LYS A 125 51.047 2.877 64.641 1.00 35.47 N ATOM 1107 CA LYS A 125 50.401 4.087 65.150 1.00 37.99 C ATOM 1108 C LYS A 125 49.462 4.670 64.101 1.00 38.22 C ATOM 1109 O LYS A 125 49.825 4.751 62.929 1.00 37.17 O ATOM 1110 CB LYS A 125 51.459 5.137 65.519 1.00 37.12 C ATOM 1111 H LYS A 125 52.006 2.953 64.246 1.00 0.00 H ATOM 1112 N ARG A 126 48.274 5.099 64.526 1.00 40.46 N ATOM 1113 CA ARG A 126 47.310 5.723 63.612 1.00 42.85 C ATOM 1114 C ARG A 126 47.835 7.075 63.121 1.00 43.90 C ATOM 1115 O ARG A 126 48.338 7.869 63.915 1.00 46.23 O ATOM 1116 CB ARG A 126 45.953 5.907 64.294 1.00 43.71 C ATOM 1117 CG ARG A 126 44.863 6.459 63.381 1.00 45.17 C ATOM 1118 CD ARG A 126 43.587 6.764 64.142 1.00 45.84 C ATOM 1119 NE ARG A 126 42.852 5.549 64.493 1.00 47.30 N ATOM 1120 CZ ARG A 126 42.075 4.849 63.663 1.00 46.36 C ATOM 1121 NH1 ARG A 126 41.912 5.210 62.393 1.00 46.57 N ATOM 1122 NH2 ARG A 126 41.458 3.762 64.113 1.00 47.03 N ATOM 1123 HE ARG A 126 42.942 5.202 65.469 1.00 0.00 H ATOM 1124 HH12 ARG A 126 41.301 4.648 61.767 1.00 0.00 H ATOM 1125 HH11 ARG A 126 42.395 6.055 62.026 1.00 0.00 H ATOM 1126 HH22 ARG A 126 40.850 3.208 63.476 1.00 0.00 H ATOM 1127 HH21 ARG A 126 41.583 3.465 65.102 1.00 0.00 H ATOM 1128 H ARG A 126 48.024 4.989 65.529 1.00 0.00 H ATOM 1129 N LEU A 127 47.720 7.313 61.816 1.00 46.18 N ATOM 1130 CA LEU A 127 48.102 8.582 61.193 1.00 49.13 C ATOM 1131 C LEU A 127 46.855 9.391 60.860 1.00 50.51 C ATOM 1132 O LEU A 127 46.057 8.988 60.013 1.00 54.79 O ATOM 1133 CB LEU A 127 48.905 8.336 59.912 1.00 48.87 C ATOM 1134 CG LEU A 127 50.225 7.572 60.017 1.00 49.29 C ATOM 1135 CD1 LEU A 127 50.814 7.395 58.626 1.00 50.98 C ATOM 1136 CD2 LEU A 127 51.213 8.276 60.934 1.00 50.09 C ATOM 1137 H LEU A 127 47.340 6.560 61.208 1.00 0.00 H TER 1138 LEU A 127 HETATM 1139 O HOH 1 58.048 1.748 68.975 1.00 40.65 O HETATM 1140 O HOH 2 54.395 1.069 70.017 1.00 60.47 O HETATM 1141 O HOH 3 45.869 -8.735 67.479 1.00 45.14 O HETATM 1142 O HOH 4 50.355 -3.171 63.224 1.00 31.22 O HETATM 1143 O HOH 5 45.769 -22.500 62.845 1.00 67.60 O HETATM 1144 O HOH 6 33.128 -18.795 52.202 1.00 52.74 O HETATM 1145 O HOH 7 51.813 -0.852 59.456 1.00 37.72 O HETATM 1146 O HOH 8 70.803 -18.688 63.009 1.00 58.98 O HETATM 1147 O HOH 9 36.298 -13.237 52.358 1.00 46.91 O HETATM 1148 O HOH 10 39.757 -3.943 67.616 1.00 35.57 O HETATM 1149 O HOH 11 41.739 -19.209 66.252 1.00 63.63 O HETATM 1150 O HOH 12 57.196 1.962 59.621 1.00 43.76 O HETATM 1151 O HOH 13 43.115 -0.288 51.950 1.00 41.57 O HETATM 1152 O HOH 14 61.556 -7.513 66.478 1.00 23.46 O HETATM 1153 O HOH 15 43.530 6.868 60.536 1.00 47.23 O HETATM 1154 O HOH 16 72.492 -14.531 54.258 1.00 35.94 O HETATM 1155 C4 UNN A 17 59.818 -5.895 57.117 1.00 0.06 C HETATM 1156 C5 UNN A 17 58.933 -6.467 58.028 1.00 -0.00 C HETATM 1157 C6 UNN A 17 57.944 -7.354 57.632 1.00 -0.07 C HETATM 1158 C7 UNN A 17 57.850 -7.671 56.283 1.00 -0.06 C HETATM 1159 C8 UNN A 17 56.784 -8.632 55.825 1.00 -0.04 C HETATM 1160 H2 UNN A 17 56.194 -8.965 56.691 1.00 0.04 H HETATM 1161 H3 UNN A 17 57.256 -9.503 55.346 1.00 0.04 H HETATM 1162 H4 UNN A 17 56.123 -8.130 55.103 1.00 0.04 H HETATM 1163 C2 UNN A 17 58.750 -7.095 55.343 1.00 -0.06 C HETATM 1164 C1 UNN A 17 58.647 -7.437 53.875 1.00 -0.04 C HETATM 1165 H5 UNN A 17 59.425 -6.895 53.317 1.00 0.04 H HETATM 1166 H6 UNN A 17 57.655 -7.145 53.499 1.00 0.04 H HETATM 1167 H7 UNN A 17 58.786 -8.520 53.740 1.00 0.04 H HETATM 1168 C3 UNN A 17 59.726 -6.205 55.764 1.00 -0.05 C HETATM 1169 H8 UNN A 17 60.407 -5.757 55.050 1.00 0.05 H HETATM 1170 H1 UNN A 17 57.263 -7.788 58.355 1.00 0.04 H HETATM 1171 N9 UNN A 17 59.304 -5.947 59.255 1.00 -0.32 N HETATM 1172 C11 UNN A 17 60.357 -5.115 59.066 1.00 0.21 C HETATM 1173 N10 UNN A 17 60.692 -5.054 57.791 1.00 -0.24 N HETATM 1174 H9 UNN A 17 61.451 -4.494 57.378 1.00 0.23 H HETATM 1175 N12 UNN A 17 60.996 -4.417 60.128 1.00 -0.29 N HETATM 1176 H10 UNN A 17 60.660 -4.530 61.095 1.00 0.19 H HETATM 1177 H11 UNN A 17 61.795 -3.798 59.930 1.00 0.19 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1155 1156 1168 1173 CONECT 1156 1155 1157 1171 CONECT 1157 1156 1158 1170 CONECT 1158 1157 1159 1163 CONECT 1159 1158 1160 1161 1162 CONECT 1160 1159 CONECT 1161 1159 CONECT 1162 1159 CONECT 1163 1158 1164 1168 CONECT 1164 1163 1165 1166 1167 CONECT 1165 1164 CONECT 1166 1164 CONECT 1167 1164 CONECT 1168 1155 1163 1169 CONECT 1169 1168 CONECT 1170 1157 CONECT 1171 1156 1172 CONECT 1172 1171 1173 1175 CONECT 1173 1155 1172 1174 CONECT 1174 1173 CONECT 1175 1172 1176 1177 CONECT 1176 1175 CONECT 1177 1175 MASTER 0 0 0 0 0 0 0 0 1176 1 27 10 END
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Related entries of code: 5l8n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5l8o
RCSB PDB
PDBbind
128aa, >5L8O_1|Chains... 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
5l8n
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Fatty acid binding protein 6 (FABP6)
Ligand Name
6RQ
EC.Number
E.C.-.-.-.-
Resolution
2.12(Å)
Affinity (Kd/Ki/IC50)
Kd=31uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8094-8102
Ligand Properties
Formula
C
9
H
1
1
N
3
Molecular Weight
161.204
Exact Mass
161.095
No. of atoms
23
No. of bonds
24
Polar Surface Area
54.7
LOGP Value
1.87 (
Computed with XLOGP3
)
2.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
Nc1[nH]c2c(n1)cc(c(c2)C)C
InChI String
InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
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):
P51161
Entrez Gene ID
NCBI Entrez Gene ID:
2172
ASD
Information of known allosteric effects of PDB entries
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