Browse entries in the PDBbind-CN Database
HEADER 4RSK_COMPLEX COMPND 4RSK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA ALA PHE GLU ALA GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 ALA ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET U A 3P 32 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N LYS A 1 -12.310 58.576 32.136 1.00 93.33 N ATOM 2 CA LYS A 1 -11.051 59.308 32.000 1.00100.00 C ATOM 3 C LYS A 1 -9.857 58.446 31.603 1.00100.00 C ATOM 4 O LYS A 1 -8.750 58.953 31.393 1.00 85.58 O ATOM 5 CB LYS A 1 -10.724 60.278 33.121 1.00100.00 C ATOM 6 CG LYS A 1 -11.864 61.255 33.336 1.00100.00 C ATOM 7 CD LYS A 1 -11.528 62.387 34.293 1.00100.00 C ATOM 8 CE LYS A 1 -12.727 63.306 34.511 1.00100.00 C ATOM 9 NZ LYS A 1 -12.507 64.676 33.984 1.00100.00 N ATOM 10 HA LYS A 1 -11.257 59.949 31.143 1.00 0.00 H ATOM 11 HB2 LYS A 1 -10.554 59.718 34.041 1.00 0.00 H ATOM 12 HB3 LYS A 1 -9.822 60.832 32.863 1.00 0.00 H ATOM 13 HG2 LYS A 1 -12.133 61.687 32.372 1.00 0.00 H ATOM 14 HG3 LYS A 1 -12.716 60.707 33.737 1.00 0.00 H ATOM 15 HD2 LYS A 1 -11.226 61.964 35.251 1.00 0.00 H ATOM 16 HD3 LYS A 1 -10.705 62.969 33.879 1.00 0.00 H ATOM 17 HE2 LYS A 1 -12.925 63.372 35.581 1.00 0.00 H ATOM 18 HE3 LYS A 1 -13.593 62.874 34.008 1.00 0.00 H ATOM 19 HZ1 LYS A 1 -11.688 65.103 34.463 1.00 0.00 H ATOM 20 HZ2 LYS A 1 -12.326 64.628 32.961 1.00 0.00 H ATOM 21 HZ3 LYS A 1 -13.353 65.254 34.160 1.00 0.00 H ATOM 22 HN3 LYS A 1 -12.207 57.845 32.869 1.00 0.00 H ATOM 23 HN2 LYS A 1 -12.549 58.128 31.228 1.00 0.00 H ATOM 24 HN1 LYS A 1 -13.066 59.237 32.407 1.00 0.00 H ATOM 25 N GLU A 2 -10.095 57.140 31.537 1.00100.00 N ATOM 26 CA GLU A 2 -9.041 56.253 31.111 1.00 53.30 C ATOM 27 C GLU A 2 -9.277 55.915 29.645 1.00 33.58 C ATOM 28 O GLU A 2 -10.398 55.569 29.283 1.00 80.17 O ATOM 29 CB GLU A 2 -8.919 54.972 31.958 1.00 49.69 C ATOM 30 CG GLU A 2 -7.485 54.834 32.543 1.00 99.98 C ATOM 31 CD GLU A 2 -7.203 53.513 33.232 1.00100.00 C ATOM 32 OE1 GLU A 2 -8.057 52.646 33.377 1.00100.00 O ATOM 33 OE2 GLU A 2 -5.933 53.420 33.637 1.00100.00 O ATOM 34 HA GLU A 2 -8.091 56.769 31.249 1.00 0.00 H ATOM 35 HB2 GLU A 2 -9.637 55.014 32.777 1.00 0.00 H ATOM 36 HB3 GLU A 2 -9.135 54.107 31.331 1.00 0.00 H ATOM 37 HG2 GLU A 2 -6.773 54.949 31.726 1.00 0.00 H ATOM 38 HG3 GLU A 2 -7.336 55.634 33.269 1.00 0.00 H ATOM 39 H GLU A 2 -11.030 56.762 31.790 1.00 0.00 H ATOM 40 N THR A 3 -8.242 56.015 28.794 1.00 30.39 N ATOM 41 CA THR A 3 -8.415 55.649 27.394 1.00 37.20 C ATOM 42 C THR A 3 -9.047 54.275 27.152 1.00 28.09 C ATOM 43 O THR A 3 -9.054 53.382 28.007 1.00 30.56 O ATOM 44 CB THR A 3 -7.101 55.720 26.617 1.00 40.45 C ATOM 45 OG1 THR A 3 -6.279 54.595 26.891 1.00 54.61 O ATOM 46 CG2 THR A 3 -6.399 56.987 27.049 1.00 44.40 C ATOM 47 HA THR A 3 -9.120 56.396 27.028 1.00 0.00 H ATOM 48 HB THR A 3 -7.300 55.721 25.545 1.00 0.00 H ATOM 49 HG1 THR A 3 -5.437 54.669 26.375 1.00 0.00 H ATOM 50 HG23 THR A 3 -7.036 57.845 26.835 1.00 0.00 H ATOM 51 HG21 THR A 3 -6.196 56.941 28.119 1.00 0.00 H ATOM 52 HG22 THR A 3 -5.461 57.085 26.503 1.00 0.00 H ATOM 53 H THR A 3 -7.319 56.353 29.134 1.00 0.00 H ATOM 54 N ALA A 4 -9.610 54.136 25.941 1.00 39.50 N ATOM 55 CA ALA A 4 -10.266 52.904 25.555 1.00 46.13 C ATOM 56 C ALA A 4 -9.274 51.749 25.570 1.00 35.83 C ATOM 57 O ALA A 4 -9.567 50.668 26.078 1.00 33.17 O ATOM 58 CB ALA A 4 -11.032 53.038 24.250 1.00 26.42 C ATOM 59 HA ALA A 4 -11.031 52.674 26.297 1.00 0.00 H ATOM 60 HB1 ALA A 4 -11.797 53.807 24.356 1.00 0.00 H ATOM 61 HB2 ALA A 4 -10.343 53.317 23.453 1.00 0.00 H ATOM 62 HB3 ALA A 4 -11.504 52.086 24.008 1.00 0.00 H ATOM 63 H ALA A 4 -9.574 54.928 25.268 1.00 0.00 H ATOM 64 N ALA A 5 -8.067 52.047 25.068 1.00 29.00 N ATOM 65 CA ALA A 5 -6.989 51.084 25.020 1.00 23.61 C ATOM 66 C ALA A 5 -6.611 50.629 26.414 1.00 34.09 C ATOM 67 O ALA A 5 -6.484 49.440 26.689 1.00 35.22 O ATOM 68 CB ALA A 5 -5.800 51.670 24.298 1.00 31.04 C ATOM 69 HA ALA A 5 -7.328 50.208 24.467 1.00 0.00 H ATOM 70 HB1 ALA A 5 -6.089 51.935 23.281 1.00 0.00 H ATOM 71 HB2 ALA A 5 -5.460 52.562 24.825 1.00 0.00 H ATOM 72 HB3 ALA A 5 -4.996 50.935 24.269 1.00 0.00 H ATOM 73 H ALA A 5 -7.900 53.005 24.700 1.00 0.00 H ATOM 74 N ALA A 6 -6.449 51.594 27.302 1.00 32.06 N ATOM 75 CA ALA A 6 -6.083 51.271 28.663 1.00 33.56 C ATOM 76 C ALA A 6 -7.180 50.489 29.338 1.00 32.00 C ATOM 77 O ALA A 6 -6.937 49.578 30.137 1.00 30.39 O ATOM 78 CB ALA A 6 -5.732 52.538 29.437 1.00 32.34 C ATOM 79 HA ALA A 6 -5.195 50.639 28.646 1.00 0.00 H ATOM 80 HB1 ALA A 6 -4.893 53.037 28.953 1.00 0.00 H ATOM 81 HB2 ALA A 6 -6.594 53.205 29.450 1.00 0.00 H ATOM 82 HB3 ALA A 6 -5.459 52.274 30.459 1.00 0.00 H ATOM 83 H ALA A 6 -6.585 52.586 27.022 1.00 0.00 H ATOM 84 N ALA A 7 -8.408 50.846 29.004 1.00 25.41 N ATOM 85 CA ALA A 7 -9.525 50.139 29.599 1.00 41.75 C ATOM 86 C ALA A 7 -9.543 48.671 29.144 1.00 32.15 C ATOM 87 O ALA A 7 -9.837 47.753 29.910 1.00 29.98 O ATOM 88 CB ALA A 7 -10.839 50.882 29.333 1.00 28.00 C ATOM 89 HA ALA A 7 -9.404 50.118 30.682 1.00 0.00 H ATOM 90 HB1 ALA A 7 -10.783 51.882 29.764 1.00 0.00 H ATOM 91 HB2 ALA A 7 -11.001 50.957 28.258 1.00 0.00 H ATOM 92 HB3 ALA A 7 -11.664 50.334 29.788 1.00 0.00 H ATOM 93 H ALA A 7 -8.570 51.619 28.327 1.00 0.00 H ATOM 94 N PHE A 8 -9.199 48.411 27.881 1.00 27.70 N ATOM 95 CA PHE A 8 -9.180 47.015 27.433 1.00 25.11 C ATOM 96 C PHE A 8 -8.175 46.217 28.255 1.00 29.92 C ATOM 97 O PHE A 8 -8.461 45.145 28.764 1.00 22.19 O ATOM 98 CB PHE A 8 -8.882 46.889 25.928 1.00 29.50 C ATOM 99 CG PHE A 8 -8.690 45.472 25.392 1.00 24.07 C ATOM 100 CD1 PHE A 8 -7.490 44.769 25.533 1.00 22.15 C ATOM 101 CD2 PHE A 8 -9.713 44.863 24.661 1.00 19.93 C ATOM 102 CE1 PHE A 8 -7.310 43.483 25.013 1.00 22.25 C ATOM 103 CE2 PHE A 8 -9.566 43.581 24.125 1.00 26.95 C ATOM 104 CZ PHE A 8 -8.364 42.894 24.309 1.00 21.39 C ATOM 105 HA PHE A 8 -10.177 46.604 27.591 1.00 0.00 H ATOM 106 HB2 PHE A 8 -9.713 47.340 25.386 1.00 0.00 H ATOM 107 HB3 PHE A 8 -7.970 47.449 25.722 1.00 0.00 H ATOM 108 HD2 PHE A 8 -10.648 45.401 24.505 1.00 0.00 H ATOM 109 HE2 PHE A 8 -10.382 43.121 23.568 1.00 0.00 H ATOM 110 HZ PHE A 8 -8.247 41.890 23.900 1.00 0.00 H ATOM 111 HE1 PHE A 8 -6.369 42.952 25.154 1.00 0.00 H ATOM 112 HD1 PHE A 8 -6.665 45.240 26.067 1.00 0.00 H ATOM 113 H PHE A 8 -8.950 49.182 27.229 1.00 0.00 H ATOM 114 N GLU A 9 -6.970 46.733 28.423 1.00 22.77 N ATOM 115 CA GLU A 9 -5.983 45.967 29.189 1.00 20.58 C ATOM 116 C GLU A 9 -6.433 45.584 30.605 1.00 27.67 C ATOM 117 O GLU A 9 -6.255 44.433 31.013 1.00 24.31 O ATOM 118 CB GLU A 9 -4.674 46.759 29.312 1.00 25.65 C ATOM 119 CG GLU A 9 -4.037 47.138 27.965 1.00 20.82 C ATOM 120 CD GLU A 9 -2.640 47.706 28.153 1.00 43.29 C ATOM 121 OE1 GLU A 9 -1.983 47.627 29.166 1.00 59.12 O ATOM 122 OE2 GLU A 9 -2.169 48.269 27.081 1.00 35.35 O ATOM 123 HA GLU A 9 -5.850 45.043 28.627 1.00 0.00 H ATOM 124 HB2 GLU A 9 -4.880 47.677 29.863 1.00 0.00 H ATOM 125 HB3 GLU A 9 -3.959 46.154 29.870 1.00 0.00 H ATOM 126 HG2 GLU A 9 -3.977 46.249 27.338 1.00 0.00 H ATOM 127 HG3 GLU A 9 -4.661 47.885 27.475 1.00 0.00 H ATOM 128 H GLU A 9 -6.728 47.661 28.021 1.00 0.00 H ATOM 129 N ALA A 10 -6.976 46.563 31.350 1.00 31.50 N ATOM 130 CA ALA A 10 -7.435 46.391 32.731 1.00 25.41 C ATOM 131 C ALA A 10 -8.553 45.370 32.918 1.00 36.44 C ATOM 132 O ALA A 10 -8.603 44.628 33.917 1.00 27.85 O ATOM 133 CB ALA A 10 -7.805 47.752 33.289 1.00 32.05 C ATOM 134 HA ALA A 10 -6.607 45.960 33.295 1.00 0.00 H ATOM 135 HB1 ALA A 10 -6.931 48.403 33.265 1.00 0.00 H ATOM 136 HB2 ALA A 10 -8.600 48.187 32.684 1.00 0.00 H ATOM 137 HB3 ALA A 10 -8.149 47.640 34.317 1.00 0.00 H ATOM 138 H ALA A 10 -7.077 47.504 30.918 1.00 0.00 H ATOM 139 N GLN A 11 -9.448 45.300 31.924 1.00 24.91 N ATOM 140 CA GLN A 11 -10.547 44.329 32.032 1.00 20.26 C ATOM 141 C GLN A 11 -10.212 42.942 31.505 1.00 24.92 C ATOM 142 O GLN A 11 -10.780 41.969 31.982 1.00 22.38 O ATOM 143 CB GLN A 11 -11.783 44.747 31.194 1.00 21.89 C ATOM 144 CG GLN A 11 -12.487 46.040 31.658 1.00 33.64 C ATOM 145 CD GLN A 11 -13.716 46.410 30.832 1.00 44.56 C ATOM 146 OE1 GLN A 11 -14.836 46.511 31.351 1.00100.00 O ATOM 147 NE2 GLN A 11 -13.533 46.634 29.542 1.00 34.34 N ATOM 148 HA GLN A 11 -10.738 44.309 33.105 1.00 0.00 H ATOM 149 HB2 GLN A 11 -11.459 44.891 30.163 1.00 0.00 H ATOM 150 HB3 GLN A 11 -12.509 43.935 31.235 1.00 0.00 H ATOM 151 HG2 GLN A 11 -12.798 45.908 32.694 1.00 0.00 H ATOM 152 HG3 GLN A 11 -11.772 46.861 31.596 1.00 0.00 H ATOM 153 HE22 GLN A 11 -12.583 46.543 29.128 1.00 0.00 H ATOM 154 HE21 GLN A 11 -14.339 46.901 28.941 1.00 0.00 H ATOM 155 H GLN A 11 -9.367 45.920 31.093 1.00 0.00 H ATOM 156 N HIS A 12 -9.345 42.840 30.481 1.00 24.34 N ATOM 157 CA HIS A 12 -9.109 41.542 29.841 1.00 16.39 C ATOM 158 C HIS A 12 -7.734 40.867 29.891 1.00 35.50 C ATOM 159 O HIS A 12 -7.623 39.701 29.453 1.00 25.31 O ATOM 160 CB HIS A 12 -9.549 41.710 28.358 1.00 14.12 C ATOM 161 CG HIS A 12 -10.960 42.176 28.172 1.00 22.79 C ATOM 162 ND1 HIS A 12 -12.047 41.436 28.680 1.00 24.75 N ATOM 163 CD2 HIS A 12 -11.448 43.300 27.537 1.00 14.96 C ATOM 164 CE1 HIS A 12 -13.148 42.127 28.365 1.00 19.26 C ATOM 165 NE2 HIS A 12 -12.823 43.227 27.669 1.00 23.79 N ATOM 166 HA HIS A 12 -9.681 40.844 30.452 1.00 0.00 H ATOM 167 HB2 HIS A 12 -8.887 42.436 27.887 1.00 0.00 H ATOM 168 HB3 HIS A 12 -9.441 40.746 27.860 1.00 0.00 H ATOM 169 HD2 HIS A 12 -10.872 44.079 27.038 1.00 0.00 H ATOM 170 HE1 HIS A 12 -14.164 41.838 28.635 1.00 0.00 H ATOM 171 H HIS A 12 -8.841 43.684 30.142 1.00 0.00 H ATOM 172 N MET A 13 -6.691 41.569 30.382 1.00 29.01 N ATOM 173 CA MET A 13 -5.353 40.968 30.406 1.00 25.23 C ATOM 174 C MET A 13 -4.956 40.275 31.701 1.00 25.44 C ATOM 175 O MET A 13 -5.100 40.849 32.773 1.00 27.68 O ATOM 176 CB MET A 13 -4.220 41.963 30.022 1.00 16.81 C ATOM 177 CG MET A 13 -4.220 42.477 28.574 1.00 18.03 C ATOM 178 SD MET A 13 -4.157 41.173 27.269 1.00 24.33 S ATOM 179 CE MET A 13 -2.641 40.262 27.691 1.00 19.91 C ATOM 180 HA MET A 13 -5.453 40.197 29.642 1.00 0.00 H ATOM 181 HB2 MET A 13 -4.301 42.828 30.681 1.00 0.00 H ATOM 182 HB3 MET A 13 -3.267 41.463 30.196 1.00 0.00 H ATOM 183 HG2 MET A 13 -3.351 43.123 28.446 1.00 0.00 H ATOM 184 HG3 MET A 13 -5.129 43.059 28.424 1.00 0.00 H ATOM 185 HE1 MET A 13 -1.788 40.940 27.652 1.00 0.00 H ATOM 186 HE2 MET A 13 -2.734 39.850 28.696 1.00 0.00 H ATOM 187 HE3 MET A 13 -2.495 39.452 26.977 1.00 0.00 H ATOM 188 H MET A 13 -6.836 42.534 30.742 1.00 0.00 H ATOM 189 N ASP A 14 -4.417 39.042 31.598 1.00 21.25 N ATOM 190 CA ASP A 14 -3.900 38.343 32.784 1.00 19.51 C ATOM 191 C ASP A 14 -2.714 37.474 32.404 1.00 29.90 C ATOM 192 O ASP A 14 -2.863 36.263 32.273 1.00 25.54 O ATOM 193 CB ASP A 14 -4.887 37.554 33.655 1.00 19.57 C ATOM 194 CG ASP A 14 -4.164 37.069 34.891 1.00 36.76 C ATOM 195 OD1 ASP A 14 -3.095 37.531 35.251 1.00 39.06 O ATOM 196 OD2 ASP A 14 -4.786 36.099 35.530 1.00 25.93 O ATOM 197 HA ASP A 14 -3.613 39.164 33.441 1.00 0.00 H ATOM 198 HB2 ASP A 14 -5.717 38.198 33.945 1.00 0.00 H ATOM 199 HB3 ASP A 14 -5.269 36.701 33.095 1.00 0.00 H ATOM 200 H ASP A 14 -4.367 38.580 30.668 1.00 0.00 H ATOM 201 N SER A 15 -1.555 38.107 32.175 1.00 16.61 N ATOM 202 CA SER A 15 -0.323 37.428 31.792 1.00 30.63 C ATOM 203 C SER A 15 0.393 36.809 33.000 1.00 27.92 C ATOM 204 O SER A 15 1.400 36.142 32.862 1.00 43.65 O ATOM 205 CB SER A 15 0.681 38.380 31.139 1.00 26.48 C ATOM 206 OG SER A 15 0.092 39.199 30.151 1.00 31.92 O ATOM 207 HA SER A 15 -0.636 36.656 31.089 1.00 0.00 H ATOM 208 HB2 SER A 15 1.472 37.790 30.677 1.00 0.00 H ATOM 209 HB3 SER A 15 1.110 39.018 31.911 1.00 0.00 H ATOM 210 HG SER A 15 -0.294 38.630 29.439 1.00 0.00 H ATOM 211 H SER A 15 -1.533 39.142 32.276 1.00 0.00 H ATOM 212 N SER A 16 -0.086 37.009 34.202 1.00 27.72 N ATOM 213 CA SER A 16 0.640 36.450 35.329 1.00 22.18 C ATOM 214 C SER A 16 0.500 34.944 35.523 1.00 38.28 C ATOM 215 O SER A 16 1.333 34.363 36.214 1.00 37.98 O ATOM 216 CB SER A 16 0.194 37.185 36.581 1.00 22.71 C ATOM 217 OG SER A 16 -1.089 36.696 36.926 1.00 33.66 O ATOM 218 HA SER A 16 1.700 36.592 35.119 1.00 0.00 H ATOM 219 HB2 SER A 16 0.145 38.256 36.387 1.00 0.00 H ATOM 220 HB3 SER A 16 0.896 36.997 37.394 1.00 0.00 H ATOM 221 HG SER A 16 -1.718 36.867 36.181 1.00 0.00 H ATOM 222 H SER A 16 -0.961 37.552 34.346 1.00 0.00 H ATOM 223 N THR A 17 -0.545 34.322 34.939 1.00 30.40 N ATOM 224 CA THR A 17 -0.803 32.881 35.063 1.00 20.94 C ATOM 225 C THR A 17 -1.028 32.246 33.721 1.00 31.52 C ATOM 226 O THR A 17 -1.547 32.904 32.832 1.00 32.97 O ATOM 227 CB THR A 17 -2.057 32.538 35.924 1.00 32.39 C ATOM 228 OG1 THR A 17 -3.207 33.141 35.381 1.00 33.72 O ATOM 229 CG2 THR A 17 -1.902 33.067 37.332 1.00 48.31 C ATOM 230 HA THR A 17 0.091 32.493 35.552 1.00 0.00 H ATOM 231 HB THR A 17 -2.154 31.452 35.931 1.00 0.00 H ATOM 232 HG1 THR A 17 -3.348 32.809 34.459 1.00 0.00 H ATOM 233 HG23 THR A 17 -1.019 32.623 37.791 1.00 0.00 H ATOM 234 HG21 THR A 17 -1.791 34.151 37.301 1.00 0.00 H ATOM 235 HG22 THR A 17 -2.785 32.807 37.916 1.00 0.00 H ATOM 236 H THR A 17 -1.203 34.893 34.371 1.00 0.00 H ATOM 237 N SER A 18 -0.687 30.960 33.585 1.00 27.58 N ATOM 238 CA SER A 18 -0.879 30.256 32.314 1.00 28.76 C ATOM 239 C SER A 18 -2.308 29.775 32.120 1.00 23.67 C ATOM 240 O SER A 18 -2.709 29.465 30.989 1.00 29.35 O ATOM 241 CB SER A 18 0.079 29.083 32.123 1.00 45.69 C ATOM 242 OG SER A 18 -0.356 27.973 32.900 1.00 52.21 O ATOM 243 HA SER A 18 -0.655 31.004 31.554 1.00 0.00 H ATOM 244 HB2 SER A 18 1.079 29.377 32.440 1.00 0.00 H ATOM 245 HB3 SER A 18 0.101 28.801 31.070 1.00 0.00 H ATOM 246 HG SER A 18 -0.375 28.228 33.856 1.00 0.00 H ATOM 247 H SER A 18 -0.279 30.451 34.395 1.00 0.00 H ATOM 248 N ALA A 19 -3.051 29.712 33.234 1.00 26.91 N ATOM 249 CA ALA A 19 -4.433 29.274 33.188 1.00 30.24 C ATOM 250 C ALA A 19 -5.107 29.430 34.525 1.00 31.73 C ATOM 251 O ALA A 19 -4.442 29.645 35.508 1.00 39.93 O ATOM 252 CB ALA A 19 -4.547 27.813 32.787 1.00 29.78 C ATOM 253 HA ALA A 19 -4.921 29.904 32.444 1.00 0.00 H ATOM 254 HB1 ALA A 19 -4.109 27.674 31.798 1.00 0.00 H ATOM 255 HB2 ALA A 19 -4.015 27.196 33.511 1.00 0.00 H ATOM 256 HB3 ALA A 19 -5.598 27.525 32.764 1.00 0.00 H ATOM 257 H ALA A 19 -2.630 29.981 34.146 1.00 0.00 H ATOM 258 N ALA A 20 -6.432 29.316 34.517 1.00 26.41 N ATOM 259 CA ALA A 20 -7.252 29.407 35.692 1.00 36.30 C ATOM 260 C ALA A 20 -6.839 28.327 36.675 1.00 36.03 C ATOM 261 O ALA A 20 -6.787 27.148 36.322 1.00 42.72 O ATOM 262 CB ALA A 20 -8.735 29.257 35.348 1.00 34.34 C ATOM 263 HA ALA A 20 -7.110 30.391 36.138 1.00 0.00 H ATOM 264 HB1 ALA A 20 -9.028 30.048 34.658 1.00 0.00 H ATOM 265 HB2 ALA A 20 -8.902 28.286 34.882 1.00 0.00 H ATOM 266 HB3 ALA A 20 -9.327 29.331 36.260 1.00 0.00 H ATOM 267 H ALA A 20 -6.903 29.151 33.604 1.00 0.00 H ATOM 268 N SER A 21 -6.560 28.797 37.890 1.00 61.40 N ATOM 269 CA SER A 21 -6.132 28.029 39.034 1.00 64.87 C ATOM 270 C SER A 21 -7.170 27.022 39.513 1.00100.00 C ATOM 271 O SER A 21 -6.917 25.821 39.558 1.00 71.08 O ATOM 272 CB SER A 21 -5.783 28.973 40.185 1.00 73.86 C ATOM 273 OG SER A 21 -6.916 29.749 40.578 1.00 79.33 O ATOM 274 HA SER A 21 -5.259 27.460 38.715 1.00 0.00 H ATOM 275 HB2 SER A 21 -4.986 29.644 39.866 1.00 0.00 H ATOM 276 HB3 SER A 21 -5.442 28.385 41.037 1.00 0.00 H ATOM 277 HG SER A 21 -7.642 29.144 40.874 1.00 0.00 H ATOM 278 H SER A 21 -6.661 29.823 38.028 1.00 0.00 H ATOM 279 N SER A 22 -8.335 27.528 39.892 1.00 43.32 N ATOM 280 CA SER A 22 -9.423 26.749 40.435 1.00 29.28 C ATOM 281 C SER A 22 -10.742 27.297 39.986 1.00 42.39 C ATOM 282 O SER A 22 -10.775 28.260 39.235 1.00 38.91 O ATOM 283 CB SER A 22 -9.402 26.994 41.933 1.00 25.59 C ATOM 284 OG SER A 22 -9.386 28.406 42.180 1.00 42.94 O ATOM 285 HA SER A 22 -9.312 25.708 40.132 1.00 0.00 H ATOM 286 HB2 SER A 22 -8.511 26.538 42.365 1.00 0.00 H ATOM 287 HB3 SER A 22 -10.290 26.554 42.387 1.00 0.00 H ATOM 288 HG SER A 22 -8.579 28.803 41.767 1.00 0.00 H ATOM 289 H SER A 22 -8.475 28.554 39.792 1.00 0.00 H ATOM 290 N SER A 23 -11.815 26.700 40.514 1.00 38.40 N ATOM 291 CA SER A 23 -13.180 27.090 40.192 1.00 48.62 C ATOM 292 C SER A 23 -13.544 28.456 40.755 1.00 37.13 C ATOM 293 O SER A 23 -14.593 29.016 40.428 1.00 43.80 O ATOM 294 CB SER A 23 -14.150 26.047 40.722 1.00 38.97 C ATOM 295 OG SER A 23 -14.053 26.030 42.136 1.00 50.93 O ATOM 296 HA SER A 23 -13.250 27.155 39.106 1.00 0.00 H ATOM 297 HB2 SER A 23 -13.892 25.066 40.322 1.00 0.00 H ATOM 298 HB3 SER A 23 -15.167 26.303 40.425 1.00 0.00 H ATOM 299 HG SER A 23 -14.679 25.355 42.500 1.00 0.00 H ATOM 300 H SER A 23 -11.668 25.920 41.186 1.00 0.00 H ATOM 301 N ASN A 24 -12.668 28.981 41.609 1.00 34.41 N ATOM 302 CA ASN A 24 -12.869 30.274 42.254 1.00 29.12 C ATOM 303 C ASN A 24 -12.160 31.461 41.585 1.00 35.49 C ATOM 304 O ASN A 24 -12.293 32.631 42.029 1.00 26.97 O ATOM 305 CB ASN A 24 -12.457 30.197 43.734 1.00 37.13 C ATOM 306 CG ASN A 24 -13.366 31.042 44.582 1.00100.00 C ATOM 307 OD1 ASN A 24 -14.596 30.820 44.618 1.00100.00 O ATOM 308 ND2 ASN A 24 -12.756 32.023 45.242 1.00 96.43 N ATOM 309 HA ASN A 24 -13.935 30.475 42.150 1.00 0.00 H ATOM 310 HB2 ASN A 24 -12.515 29.161 44.069 1.00 0.00 H ATOM 311 HB3 ASN A 24 -11.433 30.555 43.840 1.00 0.00 H ATOM 312 HD22 ASN A 24 -11.726 32.143 45.160 1.00 0.00 H ATOM 313 HD21 ASN A 24 -13.309 32.670 45.840 1.00 0.00 H ATOM 314 H ASN A 24 -11.803 28.446 41.826 1.00 0.00 H ATOM 315 N TYR A 25 -11.399 31.153 40.535 1.00 31.14 N ATOM 316 CA TYR A 25 -10.671 32.194 39.822 1.00 25.92 C ATOM 317 C TYR A 25 -11.522 33.420 39.492 1.00 34.78 C ATOM 318 O TYR A 25 -11.140 34.540 39.837 1.00 26.79 O ATOM 319 CB TYR A 25 -9.985 31.597 38.585 1.00 20.36 C ATOM 320 CG TYR A 25 -9.324 32.596 37.668 1.00 27.85 C ATOM 321 CD1 TYR A 25 -10.030 33.238 36.648 1.00 32.54 C ATOM 322 CD2 TYR A 25 -7.961 32.870 37.816 1.00 31.98 C ATOM 323 CE1 TYR A 25 -9.379 34.134 35.793 1.00 28.39 C ATOM 324 CE2 TYR A 25 -7.298 33.782 36.994 1.00 23.71 C ATOM 325 CZ TYR A 25 -8.018 34.404 35.971 1.00 31.98 C ATOM 326 OH TYR A 25 -7.369 35.285 35.142 1.00 30.90 O ATOM 327 HA TYR A 25 -9.901 32.574 40.494 1.00 0.00 H ATOM 328 HB3 TYR A 25 -10.738 31.058 38.010 1.00 0.00 H ATOM 329 HB2 TYR A 25 -9.222 30.898 38.927 1.00 0.00 H ATOM 330 HD2 TYR A 25 -7.400 32.356 38.596 1.00 0.00 H ATOM 331 HE2 TYR A 25 -6.242 34.004 37.147 1.00 0.00 H ATOM 332 HE1 TYR A 25 -9.932 34.621 34.989 1.00 0.00 H ATOM 333 HD1 TYR A 25 -11.094 33.040 36.517 1.00 0.00 H ATOM 334 HH TYR A 25 -7.002 36.032 35.678 1.00 0.00 H ATOM 335 H TYR A 25 -11.325 30.164 40.223 1.00 0.00 H ATOM 336 N CYS A 26 -12.698 33.210 38.861 1.00 21.24 N ATOM 337 CA CYS A 26 -13.553 34.346 38.502 1.00 31.83 C ATOM 338 C CYS A 26 -14.015 35.250 39.640 1.00 36.16 C ATOM 339 O CYS A 26 -14.075 36.484 39.538 1.00 26.04 O ATOM 340 CB CYS A 26 -14.749 33.933 37.636 1.00 21.70 C ATOM 341 SG CYS A 26 -14.211 33.428 35.987 1.00 24.79 S ATOM 342 HA CYS A 26 -12.869 34.963 37.919 1.00 0.00 H ATOM 343 HB2 CYS A 26 -15.432 34.777 37.545 1.00 0.00 H ATOM 344 HB3 CYS A 26 -15.265 33.100 38.114 1.00 0.00 H ATOM 345 H CYS A 26 -12.997 32.241 38.630 1.00 0.00 H ATOM 346 N ASN A 27 -14.410 34.600 40.723 1.00 33.30 N ATOM 347 CA ASN A 27 -14.893 35.319 41.868 1.00 29.14 C ATOM 348 C ASN A 27 -13.808 36.257 42.371 1.00 30.45 C ATOM 349 O ASN A 27 -14.052 37.408 42.707 1.00 26.34 O ATOM 350 CB ASN A 27 -15.365 34.343 42.954 1.00 29.76 C ATOM 351 CG ASN A 27 -16.752 33.740 42.725 1.00 39.69 C ATOM 352 OD1 ASN A 27 -17.605 34.239 41.961 1.00 28.54 O ATOM 353 ND2 ASN A 27 -16.994 32.651 43.441 1.00 38.05 N ATOM 354 HA ASN A 27 -15.756 35.923 41.588 1.00 0.00 H ATOM 355 HB2 ASN A 27 -14.646 33.526 43.010 1.00 0.00 H ATOM 356 HB3 ASN A 27 -15.381 34.877 43.904 1.00 0.00 H ATOM 357 HD22 ASN A 27 -16.258 32.265 44.066 1.00 0.00 H ATOM 358 HD21 ASN A 27 -17.920 32.182 43.378 1.00 0.00 H ATOM 359 H ASN A 27 -14.370 33.561 40.745 1.00 0.00 H ATOM 360 N GLN A 28 -12.589 35.758 42.379 1.00 29.43 N ATOM 361 CA GLN A 28 -11.465 36.564 42.810 1.00 36.33 C ATOM 362 C GLN A 28 -11.122 37.730 41.852 1.00 32.55 C ATOM 363 O GLN A 28 -11.029 38.910 42.228 1.00 26.84 O ATOM 364 CB GLN A 28 -10.244 35.634 43.068 1.00 32.02 C ATOM 365 CG GLN A 28 -8.948 36.349 43.539 1.00100.00 C ATOM 366 CD GLN A 28 -7.787 36.432 42.530 1.00100.00 C ATOM 367 OE1 GLN A 28 -7.200 35.397 42.134 1.00 81.42 O ATOM 368 NE2 GLN A 28 -7.431 37.671 42.138 1.00 52.69 N ATOM 369 HA GLN A 28 -11.750 37.059 43.738 1.00 0.00 H ATOM 370 HB2 GLN A 28 -10.527 34.912 43.834 1.00 0.00 H ATOM 371 HB3 GLN A 28 -10.020 35.108 42.140 1.00 0.00 H ATOM 372 HG2 GLN A 28 -9.217 37.368 43.815 1.00 0.00 H ATOM 373 HG3 GLN A 28 -8.582 35.820 44.419 1.00 0.00 H ATOM 374 HE22 GLN A 28 -7.950 38.499 42.495 1.00 0.00 H ATOM 375 HE21 GLN A 28 -6.637 37.800 41.478 1.00 0.00 H ATOM 376 H GLN A 28 -12.432 34.776 42.073 1.00 0.00 H ATOM 377 N MET A 29 -10.892 37.402 40.586 1.00 26.91 N ATOM 378 CA MET A 29 -10.498 38.401 39.613 1.00 22.85 C ATOM 379 C MET A 29 -11.500 39.502 39.368 1.00 26.56 C ATOM 380 O MET A 29 -11.113 40.648 39.209 1.00 32.56 O ATOM 381 CB MET A 29 -10.065 37.731 38.300 1.00 22.98 C ATOM 382 CG MET A 29 -8.830 36.860 38.482 1.00 38.03 C ATOM 383 SD MET A 29 -7.303 37.833 38.750 1.00 35.03 S ATOM 384 CE MET A 29 -7.187 38.712 37.186 1.00 29.25 C ATOM 385 HA MET A 29 -9.648 38.915 40.062 1.00 0.00 H ATOM 386 HB2 MET A 29 -10.883 37.110 37.936 1.00 0.00 H ATOM 387 HB3 MET A 29 -9.844 38.506 37.566 1.00 0.00 H ATOM 388 HG2 MET A 29 -8.701 36.249 37.589 1.00 0.00 H ATOM 389 HG3 MET A 29 -8.985 36.212 39.345 1.00 0.00 H ATOM 390 HE1 MET A 29 -7.110 37.992 36.371 1.00 0.00 H ATOM 391 HE2 MET A 29 -8.078 39.325 37.048 1.00 0.00 H ATOM 392 HE3 MET A 29 -6.303 39.350 37.194 1.00 0.00 H ATOM 393 H MET A 29 -10.996 36.411 40.288 1.00 0.00 H ATOM 394 N MET A 30 -12.790 39.187 39.310 1.00 26.71 N ATOM 395 CA MET A 30 -13.755 40.247 39.036 1.00 18.18 C ATOM 396 C MET A 30 -13.721 41.313 40.121 1.00 28.48 C ATOM 397 O MET A 30 -13.989 42.502 39.900 1.00 26.71 O ATOM 398 CB MET A 30 -15.189 39.694 38.832 1.00 30.83 C ATOM 399 CG MET A 30 -15.278 38.673 37.698 1.00 24.04 C ATOM 400 SD MET A 30 -15.186 39.508 36.098 1.00 27.37 S ATOM 401 CE MET A 30 -16.672 40.565 36.041 1.00 20.15 C ATOM 402 HA MET A 30 -13.460 40.714 38.096 1.00 0.00 H ATOM 403 HB2 MET A 30 -15.512 39.216 39.757 1.00 0.00 H ATOM 404 HB3 MET A 30 -15.854 40.527 38.603 1.00 0.00 H ATOM 405 HG2 MET A 30 -16.224 38.136 37.770 1.00 0.00 H ATOM 406 HG3 MET A 30 -14.453 37.966 37.784 1.00 0.00 H ATOM 407 HE1 MET A 30 -17.563 39.942 36.122 1.00 0.00 H ATOM 408 HE2 MET A 30 -16.645 41.273 36.870 1.00 0.00 H ATOM 409 HE3 MET A 30 -16.693 41.110 35.097 1.00 0.00 H ATOM 410 H MET A 30 -13.105 38.207 39.457 1.00 0.00 H ATOM 411 N LYS A 31 -13.385 40.870 41.329 1.00 25.31 N ATOM 412 CA LYS A 31 -13.289 41.807 42.450 1.00 27.62 C ATOM 413 C LYS A 31 -11.990 42.621 42.370 1.00 44.94 C ATOM 414 O LYS A 31 -12.009 43.844 42.414 1.00 35.64 O ATOM 415 CB LYS A 31 -13.338 41.031 43.750 1.00 30.24 C ATOM 416 CG LYS A 31 -13.645 41.880 44.984 1.00 47.88 C ATOM 417 CD LYS A 31 -13.744 41.065 46.276 1.00100.00 C ATOM 418 CE LYS A 31 -14.022 41.905 47.526 1.00100.00 C ATOM 419 NZ LYS A 31 -13.007 41.752 48.583 1.00100.00 N ATOM 420 HA LYS A 31 -14.127 42.503 42.405 1.00 0.00 H ATOM 421 HB2 LYS A 31 -14.110 40.267 43.662 1.00 0.00 H ATOM 422 HB3 LYS A 31 -12.370 40.552 43.898 1.00 0.00 H ATOM 423 HG2 LYS A 31 -12.852 42.618 45.101 1.00 0.00 H ATOM 424 HG3 LYS A 31 -14.595 42.391 44.824 1.00 0.00 H ATOM 425 HD2 LYS A 31 -14.551 40.341 46.163 1.00 0.00 H ATOM 426 HD3 LYS A 31 -12.802 40.537 46.421 1.00 0.00 H ATOM 427 HE2 LYS A 31 -14.989 41.608 47.932 1.00 0.00 H ATOM 428 HE3 LYS A 31 -14.059 42.954 47.234 1.00 0.00 H ATOM 429 HZ1 LYS A 31 -12.967 40.757 48.882 1.00 0.00 H ATOM 430 HZ2 LYS A 31 -12.079 42.043 48.215 1.00 0.00 H ATOM 431 HZ3 LYS A 31 -13.262 42.349 49.396 1.00 0.00 H ATOM 432 H LYS A 31 -13.191 39.859 41.477 1.00 0.00 H ATOM 433 N SER A 32 -10.862 41.917 42.241 1.00 31.90 N ATOM 434 CA SER A 32 -9.528 42.485 42.134 1.00 24.20 C ATOM 435 C SER A 32 -9.460 43.596 41.108 1.00 36.53 C ATOM 436 O SER A 32 -8.752 44.583 41.278 1.00 33.69 O ATOM 437 CB SER A 32 -8.571 41.431 41.561 1.00 28.51 C ATOM 438 OG SER A 32 -8.092 40.530 42.533 1.00 58.15 O ATOM 439 HA SER A 32 -9.273 42.836 43.134 1.00 0.00 H ATOM 440 HB2 SER A 32 -7.719 41.943 41.113 1.00 0.00 H ATOM 441 HB3 SER A 32 -9.098 40.865 40.793 1.00 0.00 H ATOM 442 HG SER A 32 -8.856 40.051 42.942 1.00 0.00 H ATOM 443 H SER A 32 -10.945 40.881 42.215 1.00 0.00 H ATOM 444 N ARG A 33 -10.133 43.401 39.986 1.00 25.83 N ATOM 445 CA ARG A 33 -10.081 44.396 38.917 1.00 23.97 C ATOM 446 C ARG A 33 -11.157 45.476 39.042 1.00 28.32 C ATOM 447 O ARG A 33 -11.387 46.334 38.186 1.00 26.31 O ATOM 448 CB ARG A 33 -10.032 43.729 37.534 1.00 30.72 C ATOM 449 CG ARG A 33 -8.804 42.825 37.378 1.00 27.72 C ATOM 450 CD ARG A 33 -7.515 43.594 37.059 1.00 21.92 C ATOM 451 NE ARG A 33 -6.396 42.683 36.885 1.00 18.77 N ATOM 452 CZ ARG A 33 -6.036 42.271 35.683 1.00 29.29 C ATOM 453 NH1 ARG A 33 -6.678 42.678 34.600 1.00 18.63 N ATOM 454 NH2 ARG A 33 -5.028 41.429 35.552 1.00 22.68 N ATOM 455 HA ARG A 33 -9.143 44.939 39.032 1.00 0.00 H ATOM 456 HB2 ARG A 33 -10.931 43.128 37.400 1.00 0.00 H ATOM 457 HB3 ARG A 33 -9.998 44.505 36.769 1.00 0.00 H ATOM 458 HG2 ARG A 33 -8.658 42.277 38.309 1.00 0.00 H ATOM 459 HG3 ARG A 33 -8.995 42.120 36.569 1.00 0.00 H ATOM 460 HD2 ARG A 33 -7.295 44.277 37.879 1.00 0.00 H ATOM 461 HD3 ARG A 33 -7.657 44.164 36.141 1.00 0.00 H ATOM 462 HE ARG A 33 -5.871 42.351 37.719 1.00 0.00 H ATOM 463 HH12 ARG A 33 -6.380 42.343 33.662 1.00 0.00 H ATOM 464 HH11 ARG A 33 -7.481 43.333 34.687 1.00 0.00 H ATOM 465 HH22 ARG A 33 -4.742 41.103 34.607 1.00 0.00 H ATOM 466 HH21 ARG A 33 -4.519 41.092 36.394 1.00 0.00 H ATOM 467 H ARG A 33 -10.700 42.538 39.864 1.00 0.00 H ATOM 468 N ASN A 34 -11.834 45.442 40.159 1.00 27.92 N ATOM 469 CA ASN A 34 -12.871 46.423 40.415 1.00 30.63 C ATOM 470 C ASN A 34 -14.086 46.332 39.493 1.00 39.39 C ATOM 471 O ASN A 34 -14.693 47.352 39.158 1.00 32.89 O ATOM 472 CB ASN A 34 -12.251 47.839 40.392 1.00 34.34 C ATOM 473 CG ASN A 34 -11.243 47.998 41.529 1.00 61.23 C ATOM 474 OD1 ASN A 34 -11.449 47.514 42.649 1.00 43.51 O ATOM 475 ND2 ASN A 34 -10.125 48.652 41.262 1.00 39.98 N ATOM 476 HA ASN A 34 -13.270 46.199 41.404 1.00 0.00 H ATOM 477 HB2 ASN A 34 -11.745 47.994 39.439 1.00 0.00 H ATOM 478 HB3 ASN A 34 -13.042 48.580 40.507 1.00 0.00 H ATOM 479 HD22 ASN A 34 -9.970 49.052 40.314 1.00 0.00 H ATOM 480 HD21 ASN A 34 -9.401 48.767 42.000 1.00 0.00 H ATOM 481 H ASN A 34 -11.628 44.709 40.867 1.00 0.00 H ATOM 482 N LEU A 35 -14.444 45.126 39.065 1.00 30.89 N ATOM 483 CA LEU A 35 -15.562 44.970 38.151 1.00 31.01 C ATOM 484 C LEU A 35 -16.916 44.767 38.854 1.00 40.73 C ATOM 485 O LEU A 35 -17.970 44.738 38.220 1.00 37.34 O ATOM 486 CB LEU A 35 -15.273 43.894 37.056 1.00 24.29 C ATOM 487 CG LEU A 35 -13.928 44.114 36.339 1.00 35.46 C ATOM 488 CD1 LEU A 35 -13.583 42.999 35.352 1.00 21.98 C ATOM 489 CD2 LEU A 35 -13.948 45.439 35.592 1.00 21.83 C ATOM 490 HA LEU A 35 -15.662 45.925 37.635 1.00 0.00 H ATOM 491 HB2 LEU A 35 -15.259 42.912 37.528 1.00 0.00 H ATOM 492 HB3 LEU A 35 -16.072 43.928 36.315 1.00 0.00 H ATOM 493 HG LEU A 35 -13.163 44.115 37.116 1.00 0.00 H ATOM 494 HD21 LEU A 35 -14.751 45.427 34.855 1.00 0.00 H ATOM 495 HD22 LEU A 35 -14.115 46.251 36.300 1.00 0.00 H ATOM 496 HD23 LEU A 35 -12.992 45.585 35.088 1.00 0.00 H ATOM 497 HD11 LEU A 35 -13.522 42.050 35.885 1.00 0.00 H ATOM 498 HD12 LEU A 35 -14.358 42.939 34.588 1.00 0.00 H ATOM 499 HD13 LEU A 35 -12.624 43.216 34.882 1.00 0.00 H ATOM 500 H LEU A 35 -13.920 44.287 39.387 1.00 0.00 H ATOM 501 N THR A 36 -16.912 44.639 40.177 1.00 40.63 N ATOM 502 CA THR A 36 -18.151 44.435 40.913 1.00 29.60 C ATOM 503 C THR A 36 -18.416 45.540 41.909 1.00 62.42 C ATOM 504 O THR A 36 -19.133 45.355 42.897 1.00 52.80 O ATOM 505 CB THR A 36 -18.135 43.094 41.662 1.00 36.56 C ATOM 506 OG1 THR A 36 -17.208 43.120 42.738 1.00 31.40 O ATOM 507 CG2 THR A 36 -17.816 41.973 40.685 1.00 42.65 C ATOM 508 HA THR A 36 -18.948 44.437 40.169 1.00 0.00 H ATOM 509 HB THR A 36 -19.120 42.916 42.093 1.00 0.00 H ATOM 510 HG1 THR A 36 -17.462 43.835 43.374 1.00 0.00 H ATOM 511 HG23 THR A 36 -18.544 41.981 39.874 1.00 0.00 H ATOM 512 HG21 THR A 36 -16.816 42.121 40.278 1.00 0.00 H ATOM 513 HG22 THR A 36 -17.860 41.016 41.205 1.00 0.00 H ATOM 514 H THR A 36 -16.011 44.685 40.694 1.00 0.00 H ATOM 515 N LYS A 37 -17.813 46.687 41.639 1.00 46.21 N ATOM 516 CA LYS A 37 -17.885 47.846 42.510 1.00 82.04 C ATOM 517 C LYS A 37 -19.230 48.559 42.537 1.00 39.15 C ATOM 518 O LYS A 37 -19.778 48.874 43.600 1.00 70.23 O ATOM 519 CB LYS A 37 -16.619 48.712 42.442 1.00 41.03 C ATOM 520 CG LYS A 37 -16.538 49.900 43.385 1.00100.00 C ATOM 521 CD LYS A 37 -16.198 51.187 42.644 1.00100.00 C ATOM 522 CE LYS A 37 -15.612 52.288 43.528 1.00100.00 C ATOM 523 NZ LYS A 37 -15.252 53.492 42.782 1.00100.00 N ATOM 524 HA LYS A 37 -17.870 47.465 43.531 1.00 0.00 H ATOM 525 HB2 LYS A 37 -15.768 48.066 42.655 1.00 0.00 H ATOM 526 HB3 LYS A 37 -16.538 49.095 41.425 1.00 0.00 H ATOM 527 HG2 LYS A 37 -17.500 50.022 43.883 1.00 0.00 H ATOM 528 HG3 LYS A 37 -15.767 49.707 44.131 1.00 0.00 H ATOM 529 HD2 LYS A 37 -15.472 50.951 41.866 1.00 0.00 H ATOM 530 HD3 LYS A 37 -17.110 51.568 42.185 1.00 0.00 H ATOM 531 HE2 LYS A 37 -14.717 51.902 44.016 1.00 0.00 H ATOM 532 HE3 LYS A 37 -16.350 52.556 44.284 1.00 0.00 H ATOM 533 HZ1 LYS A 37 -14.540 53.253 42.063 1.00 0.00 H ATOM 534 HZ2 LYS A 37 -16.099 53.877 42.318 1.00 0.00 H ATOM 535 HZ3 LYS A 37 -14.861 54.200 43.436 1.00 0.00 H ATOM 536 H LYS A 37 -17.261 46.761 40.761 1.00 0.00 H ATOM 537 N ASP A 38 -19.805 48.808 41.373 1.00 56.56 N ATOM 538 CA ASP A 38 -21.101 49.476 41.373 1.00 48.99 C ATOM 539 C ASP A 38 -22.256 48.559 41.012 1.00 72.14 C ATOM 540 O ASP A 38 -23.394 48.854 41.311 1.00 53.03 O ATOM 541 CB ASP A 38 -21.129 50.763 40.542 1.00 54.51 C ATOM 542 CG ASP A 38 -20.121 51.743 41.077 1.00100.00 C ATOM 543 OD1 ASP A 38 -20.292 52.403 42.091 1.00100.00 O ATOM 544 OD2 ASP A 38 -19.027 51.783 40.355 1.00100.00 O ATOM 545 HA ASP A 38 -21.247 49.772 42.412 1.00 0.00 H ATOM 546 HB2 ASP A 38 -20.890 50.529 39.505 1.00 0.00 H ATOM 547 HB3 ASP A 38 -22.124 51.204 40.593 1.00 0.00 H ATOM 548 H ASP A 38 -19.345 48.535 40.481 1.00 0.00 H ATOM 549 N ARG A 39 -21.955 47.445 40.366 1.00100.00 N ATOM 550 CA ARG A 39 -22.954 46.461 39.997 1.00 45.57 C ATOM 551 C ARG A 39 -22.219 45.182 39.682 1.00 44.97 C ATOM 552 O ARG A 39 -20.987 45.137 39.768 1.00 49.00 O ATOM 553 CB ARG A 39 -23.790 46.900 38.803 1.00 37.67 C ATOM 554 CG ARG A 39 -22.944 47.440 37.667 1.00 47.05 C ATOM 555 CD ARG A 39 -23.660 47.233 36.349 1.00100.00 C ATOM 556 NE ARG A 39 -22.791 46.844 35.233 1.00100.00 N ATOM 557 CZ ARG A 39 -23.203 46.202 34.116 1.00100.00 C ATOM 558 NH1 ARG A 39 -24.485 45.833 33.912 1.00100.00 N ATOM 559 NH2 ARG A 39 -22.281 45.933 33.179 1.00 98.55 N ATOM 560 HA ARG A 39 -23.654 46.328 40.822 1.00 0.00 H ATOM 561 HB2 ARG A 39 -24.357 46.043 38.440 1.00 0.00 H ATOM 562 HB3 ARG A 39 -24.479 47.680 39.127 1.00 0.00 H ATOM 563 HG2 ARG A 39 -22.769 48.505 37.821 1.00 0.00 H ATOM 564 HG3 ARG A 39 -21.989 46.916 37.646 1.00 0.00 H ATOM 565 HD2 ARG A 39 -24.158 48.165 36.083 1.00 0.00 H ATOM 566 HD3 ARG A 39 -24.406 46.451 36.487 1.00 0.00 H ATOM 567 HE ARG A 39 -21.781 47.080 35.306 1.00 0.00 H ATOM 568 HH12 ARG A 39 -24.751 45.341 33.035 1.00 0.00 H ATOM 569 HH11 ARG A 39 -25.207 46.041 34.632 1.00 0.00 H ATOM 570 HH22 ARG A 39 -22.556 45.441 32.305 1.00 0.00 H ATOM 571 HH21 ARG A 39 -21.291 46.217 33.327 1.00 0.00 H ATOM 572 H ARG A 39 -20.962 47.268 40.113 1.00 0.00 H ATOM 573 N CYS A 40 -22.951 44.138 39.345 1.00 43.88 N ATOM 574 CA CYS A 40 -22.253 42.919 38.989 1.00 35.26 C ATOM 575 C CYS A 40 -22.112 42.915 37.476 1.00 38.99 C ATOM 576 O CYS A 40 -23.109 42.826 36.778 1.00 28.20 O ATOM 577 CB CYS A 40 -22.979 41.635 39.429 1.00 32.66 C ATOM 578 SG CYS A 40 -23.331 41.514 41.215 1.00 40.21 S ATOM 579 HA CYS A 40 -21.294 42.914 39.506 1.00 0.00 H ATOM 580 HB2 CYS A 40 -22.358 40.784 39.149 1.00 0.00 H ATOM 581 HB3 CYS A 40 -23.927 41.583 38.894 1.00 0.00 H ATOM 582 H CYS A 40 -23.990 44.188 39.335 1.00 0.00 H ATOM 583 N LYS A 41 -20.900 43.065 36.934 1.00 28.91 N ATOM 584 CA LYS A 41 -20.771 42.992 35.483 1.00 33.21 C ATOM 585 C LYS A 41 -21.147 41.513 35.128 1.00 20.43 C ATOM 586 O LYS A 41 -20.673 40.557 35.739 1.00 28.36 O ATOM 587 CB LYS A 41 -19.360 43.419 35.059 1.00 22.24 C ATOM 588 CG LYS A 41 -19.129 43.453 33.548 1.00 29.93 C ATOM 589 CD LYS A 41 -17.729 43.925 33.126 1.00 33.76 C ATOM 590 CE LYS A 41 -17.643 44.129 31.618 1.00 25.89 C ATOM 591 NZ LYS A 41 -16.285 43.999 31.113 1.00 50.63 N ATOM 592 HA LYS A 41 -21.425 43.673 34.939 1.00 0.00 H ATOM 593 HB2 LYS A 41 -19.174 44.418 35.454 1.00 0.00 H ATOM 594 HB3 LYS A 41 -18.648 42.719 35.496 1.00 0.00 H ATOM 595 HG2 LYS A 41 -19.281 42.447 33.158 1.00 0.00 H ATOM 596 HG3 LYS A 41 -19.863 44.127 33.107 1.00 0.00 H ATOM 597 HD2 LYS A 41 -17.507 44.868 33.625 1.00 0.00 H ATOM 598 HD3 LYS A 41 -16.996 43.176 33.425 1.00 0.00 H ATOM 599 HE2 LYS A 41 -18.011 45.127 31.379 1.00 0.00 H ATOM 600 HE3 LYS A 41 -18.271 43.385 31.128 1.00 0.00 H ATOM 601 HZ1 LYS A 41 -15.678 44.711 31.567 1.00 0.00 H ATOM 602 HZ2 LYS A 41 -15.926 43.047 31.328 1.00 0.00 H ATOM 603 HZ3 LYS A 41 -16.284 44.147 30.084 1.00 0.00 H ATOM 604 H LYS A 41 -20.067 43.230 37.534 1.00 0.00 H ATOM 605 N PRO A 42 -22.049 41.308 34.190 1.00 21.49 N ATOM 606 CA PRO A 42 -22.544 39.996 33.865 1.00 35.12 C ATOM 607 C PRO A 42 -21.620 39.024 33.186 1.00 24.64 C ATOM 608 O PRO A 42 -21.624 37.827 33.527 1.00 27.89 O ATOM 609 CB PRO A 42 -23.816 40.183 33.016 1.00 24.37 C ATOM 610 CG PRO A 42 -23.919 41.650 32.679 1.00 24.84 C ATOM 611 CD PRO A 42 -22.892 42.357 33.568 1.00 25.17 C ATOM 612 HA PRO A 42 -22.709 39.516 34.830 1.00 0.00 H ATOM 613 HD3 PRO A 42 -22.274 43.024 32.967 1.00 0.00 H ATOM 614 HD2 PRO A 42 -23.401 42.933 34.341 1.00 0.00 H ATOM 615 HG3 PRO A 42 -24.923 42.019 32.891 1.00 0.00 H ATOM 616 HG2 PRO A 42 -23.688 41.815 31.627 1.00 0.00 H ATOM 617 HB2 PRO A 42 -23.744 39.594 32.102 1.00 0.00 H ATOM 618 HB3 PRO A 42 -24.692 39.868 33.582 1.00 0.00 H ATOM 619 N VAL A 43 -20.872 39.526 32.213 1.00 22.13 N ATOM 620 CA VAL A 43 -19.956 38.679 31.452 1.00 32.93 C ATOM 621 C VAL A 43 -18.570 39.290 31.248 1.00 33.43 C ATOM 622 O VAL A 43 -18.517 40.459 30.926 1.00 25.02 O ATOM 623 CB VAL A 43 -20.590 38.518 30.077 1.00 42.31 C ATOM 624 CG1 VAL A 43 -19.667 37.732 29.160 1.00 31.97 C ATOM 625 CG2 VAL A 43 -21.940 37.815 30.208 1.00 25.25 C ATOM 626 HA VAL A 43 -19.811 37.749 32.001 1.00 0.00 H ATOM 627 HB VAL A 43 -20.748 39.504 29.641 1.00 0.00 H ATOM 628 HG11 VAL A 43 -18.721 38.263 29.057 1.00 0.00 H ATOM 629 HG12 VAL A 43 -19.486 36.746 29.587 1.00 0.00 H ATOM 630 HG13 VAL A 43 -20.134 37.625 28.181 1.00 0.00 H ATOM 631 HG21 VAL A 43 -21.794 36.832 30.655 1.00 0.00 H ATOM 632 HG22 VAL A 43 -22.598 38.410 30.841 1.00 0.00 H ATOM 633 HG23 VAL A 43 -22.387 37.703 29.220 1.00 0.00 H ATOM 634 H VAL A 43 -20.938 40.539 31.988 1.00 0.00 H ATOM 635 N ASN A 44 -17.474 38.518 31.388 1.00 25.35 N ATOM 636 CA ASN A 44 -16.111 39.040 31.156 1.00 21.76 C ATOM 637 C ASN A 44 -15.106 37.945 30.834 1.00 21.59 C ATOM 638 O ASN A 44 -15.132 36.909 31.484 1.00 29.42 O ATOM 639 CB ASN A 44 -15.572 39.838 32.355 1.00 19.76 C ATOM 640 CG ASN A 44 -14.405 40.776 32.014 1.00 37.11 C ATOM 641 OD1 ASN A 44 -14.464 41.654 31.139 1.00 27.00 O ATOM 642 ND2 ASN A 44 -13.299 40.624 32.720 1.00 23.08 N ATOM 643 HA ASN A 44 -16.217 39.699 30.294 1.00 0.00 H ATOM 644 HB2 ASN A 44 -16.386 40.439 32.760 1.00 0.00 H ATOM 645 HB3 ASN A 44 -15.233 39.131 33.112 1.00 0.00 H ATOM 646 HD22 ASN A 44 -13.247 39.889 33.454 1.00 0.00 H ATOM 647 HD21 ASN A 44 -12.480 41.240 32.542 1.00 0.00 H ATOM 648 H ASN A 44 -17.591 37.523 31.668 1.00 0.00 H ATOM 649 N THR A 45 -14.204 38.181 29.871 1.00 19.61 N ATOM 650 CA THR A 45 -13.170 37.198 29.495 1.00 22.00 C ATOM 651 C THR A 45 -11.752 37.686 29.803 1.00 21.91 C ATOM 652 O THR A 45 -11.433 38.823 29.470 1.00 15.20 O ATOM 653 CB THR A 45 -13.265 36.853 27.972 1.00 25.33 C ATOM 654 OG1 THR A 45 -14.616 36.605 27.627 1.00 27.93 O ATOM 655 CG2 THR A 45 -12.450 35.618 27.551 1.00 16.01 C ATOM 656 HA THR A 45 -13.361 36.309 30.096 1.00 0.00 H ATOM 657 HB THR A 45 -12.851 37.717 27.452 1.00 0.00 H ATOM 658 HG1 THR A 45 -14.957 35.844 28.160 1.00 0.00 H ATOM 659 HG23 THR A 45 -11.401 35.774 27.802 1.00 0.00 H ATOM 660 HG21 THR A 45 -12.825 34.740 28.078 1.00 0.00 H ATOM 661 HG22 THR A 45 -12.549 35.468 26.476 1.00 0.00 H ATOM 662 H THR A 45 -14.234 39.092 29.370 1.00 0.00 H ATOM 663 N PHE A 46 -10.895 36.817 30.398 1.00 15.95 N ATOM 664 CA PHE A 46 -9.491 37.151 30.685 1.00 15.39 C ATOM 665 C PHE A 46 -8.598 36.322 29.777 1.00 26.81 C ATOM 666 O PHE A 46 -8.871 35.120 29.606 1.00 27.37 O ATOM 667 CB PHE A 46 -9.122 36.776 32.140 1.00 17.49 C ATOM 668 CG PHE A 46 -9.733 37.748 33.122 1.00 25.21 C ATOM 669 CD1 PHE A 46 -9.189 39.021 33.321 1.00 31.03 C ATOM 670 CD2 PHE A 46 -10.881 37.389 33.836 1.00 17.95 C ATOM 671 CE1 PHE A 46 -9.783 39.914 34.218 1.00 30.81 C ATOM 672 CE2 PHE A 46 -11.481 38.256 34.757 1.00 30.69 C ATOM 673 CZ PHE A 46 -10.922 39.523 34.934 1.00 29.42 C ATOM 674 HA PHE A 46 -9.356 38.221 30.529 1.00 0.00 H ATOM 675 HB2 PHE A 46 -9.491 35.773 32.354 1.00 0.00 H ATOM 676 HB3 PHE A 46 -8.038 36.794 32.249 1.00 0.00 H ATOM 677 HD2 PHE A 46 -11.321 36.406 33.671 1.00 0.00 H ATOM 678 HE2 PHE A 46 -12.362 37.950 35.321 1.00 0.00 H ATOM 679 HZ PHE A 46 -11.378 40.218 35.639 1.00 0.00 H ATOM 680 HE1 PHE A 46 -9.362 40.909 34.360 1.00 0.00 H ATOM 681 HD1 PHE A 46 -8.295 39.319 32.773 1.00 0.00 H ATOM 682 H PHE A 46 -11.246 35.874 30.662 1.00 0.00 H ATOM 683 N VAL A 47 -7.564 36.946 29.205 1.00 23.19 N ATOM 684 CA VAL A 47 -6.615 36.283 28.296 1.00 20.45 C ATOM 685 C VAL A 47 -5.257 35.982 28.982 1.00 42.10 C ATOM 686 O VAL A 47 -4.667 36.901 29.553 1.00 27.70 O ATOM 687 CB VAL A 47 -6.395 37.144 27.037 1.00 23.87 C ATOM 688 CG1 VAL A 47 -5.572 36.418 25.946 1.00 16.24 C ATOM 689 CG2 VAL A 47 -7.769 37.491 26.494 1.00 23.14 C ATOM 690 HA VAL A 47 -7.053 35.327 28.011 1.00 0.00 H ATOM 691 HB VAL A 47 -5.822 38.030 27.310 1.00 0.00 H ATOM 692 HG11 VAL A 47 -4.592 36.157 26.345 1.00 0.00 H ATOM 693 HG12 VAL A 47 -6.095 35.511 25.641 1.00 0.00 H ATOM 694 HG13 VAL A 47 -5.452 37.076 25.085 1.00 0.00 H ATOM 695 HG21 VAL A 47 -8.303 36.573 26.246 1.00 0.00 H ATOM 696 HG22 VAL A 47 -8.327 38.045 27.249 1.00 0.00 H ATOM 697 HG23 VAL A 47 -7.660 38.103 25.598 1.00 0.00 H ATOM 698 H VAL A 47 -7.422 37.955 29.413 1.00 0.00 H ATOM 699 N HIS A 48 -4.758 34.719 28.938 1.00 18.43 N ATOM 700 CA HIS A 48 -3.476 34.365 29.549 1.00 18.28 C ATOM 701 C HIS A 48 -2.386 34.238 28.486 1.00 32.65 C ATOM 702 O HIS A 48 -1.920 33.153 28.186 1.00 46.96 O ATOM 703 CB HIS A 48 -3.541 33.063 30.375 1.00 18.43 C ATOM 704 CG HIS A 48 -4.717 32.955 31.278 1.00 25.09 C ATOM 705 ND1 HIS A 48 -4.678 33.425 32.572 1.00 26.58 N ATOM 706 CD2 HIS A 48 -5.948 32.413 31.058 1.00 32.91 C ATOM 707 CE1 HIS A 48 -5.868 33.167 33.114 1.00 32.22 C ATOM 708 NE2 HIS A 48 -6.659 32.559 32.224 1.00 23.73 N ATOM 709 HA HIS A 48 -3.233 35.177 30.234 1.00 0.00 H ATOM 710 HB2 HIS A 48 -3.567 32.222 29.682 1.00 0.00 H ATOM 711 HB3 HIS A 48 -2.639 33.002 30.984 1.00 0.00 H ATOM 712 HD2 HIS A 48 -6.300 31.953 30.135 1.00 0.00 H ATOM 713 HE1 HIS A 48 -6.155 33.416 34.136 1.00 0.00 H ATOM 714 H HIS A 48 -5.305 33.979 28.454 1.00 0.00 H ATOM 715 N GLU A 49 -2.008 35.335 27.865 1.00 25.25 N ATOM 716 CA GLU A 49 -0.975 35.382 26.816 1.00 21.76 C ATOM 717 C GLU A 49 -0.266 36.706 27.026 1.00 31.16 C ATOM 718 O GLU A 49 -0.759 37.488 27.839 1.00 24.25 O ATOM 719 CB GLU A 49 -1.513 35.283 25.354 1.00 23.26 C ATOM 720 CG GLU A 49 -2.418 34.054 25.034 1.00 34.55 C ATOM 721 CD GLU A 49 -1.669 32.754 24.977 1.00 34.38 C ATOM 722 OE1 GLU A 49 -0.468 32.684 24.885 1.00 29.65 O ATOM 723 OE2 GLU A 49 -2.416 31.697 25.065 1.00 32.03 O ATOM 724 HA GLU A 49 -0.327 34.511 26.912 1.00 0.00 H ATOM 725 HB2 GLU A 49 -2.092 36.184 25.151 1.00 0.00 H ATOM 726 HB3 GLU A 49 -0.653 35.246 24.685 1.00 0.00 H ATOM 727 HG2 GLU A 49 -3.182 33.978 25.807 1.00 0.00 H ATOM 728 HG3 GLU A 49 -2.895 34.220 24.068 1.00 0.00 H ATOM 729 H GLU A 49 -2.469 36.228 28.133 1.00 0.00 H ATOM 730 N SER A 50 0.846 36.971 26.316 1.00 27.51 N ATOM 731 CA SER A 50 1.548 38.240 26.463 1.00 35.39 C ATOM 732 C SER A 50 0.847 39.373 25.713 1.00 30.13 C ATOM 733 O SER A 50 0.225 39.145 24.657 1.00 27.64 O ATOM 734 CB SER A 50 2.978 38.156 25.945 1.00 27.85 C ATOM 735 OG SER A 50 2.941 38.129 24.520 1.00 28.14 O ATOM 736 HA SER A 50 1.549 38.452 27.532 1.00 0.00 H ATOM 737 HB2 SER A 50 3.452 37.248 26.318 1.00 0.00 H ATOM 738 HB3 SER A 50 3.543 39.025 26.282 1.00 0.00 H ATOM 739 HG SER A 50 2.508 38.954 24.187 1.00 0.00 H ATOM 740 H SER A 50 1.210 36.259 25.652 1.00 0.00 H ATOM 741 N LEU A 51 0.999 40.604 26.245 1.00 23.07 N ATOM 742 CA LEU A 51 0.431 41.804 25.658 1.00 22.57 C ATOM 743 C LEU A 51 0.757 41.894 24.184 1.00 29.15 C ATOM 744 O LEU A 51 -0.125 42.138 23.357 1.00 27.83 O ATOM 745 CB LEU A 51 0.857 43.080 26.428 1.00 24.65 C ATOM 746 CG LEU A 51 0.245 44.349 25.875 1.00 34.18 C ATOM 747 CD1 LEU A 51 -1.288 44.409 26.053 1.00 19.93 C ATOM 748 CD2 LEU A 51 0.944 45.508 26.551 1.00 36.21 C ATOM 749 HA LEU A 51 -0.653 41.735 25.748 1.00 0.00 H ATOM 750 HB2 LEU A 51 0.551 42.974 27.469 1.00 0.00 H ATOM 751 HB3 LEU A 51 1.942 43.169 26.377 1.00 0.00 H ATOM 752 HG LEU A 51 0.392 44.388 24.796 1.00 0.00 H ATOM 753 HD21 LEU A 51 0.792 45.444 27.628 1.00 0.00 H ATOM 754 HD22 LEU A 51 2.011 45.466 26.330 1.00 0.00 H ATOM 755 HD23 LEU A 51 0.531 46.446 26.180 1.00 0.00 H ATOM 756 HD11 LEU A 51 -1.746 43.567 25.534 1.00 0.00 H ATOM 757 HD12 LEU A 51 -1.531 44.359 27.114 1.00 0.00 H ATOM 758 HD13 LEU A 51 -1.665 45.343 25.636 1.00 0.00 H ATOM 759 H LEU A 51 1.552 40.698 27.121 1.00 0.00 H ATOM 760 N ALA A 52 2.038 41.653 23.861 1.00 24.97 N ATOM 761 CA ALA A 52 2.509 41.667 22.486 1.00 20.36 C ATOM 762 C ALA A 52 1.708 40.682 21.633 1.00 18.87 C ATOM 763 O ALA A 52 1.292 41.032 20.516 1.00 20.48 O ATOM 764 CB ALA A 52 3.990 41.314 22.414 1.00 25.73 C ATOM 765 HA ALA A 52 2.368 42.676 22.097 1.00 0.00 H ATOM 766 HB1 ALA A 52 4.564 42.041 22.989 1.00 0.00 H ATOM 767 HB2 ALA A 52 4.145 40.318 22.828 1.00 0.00 H ATOM 768 HB3 ALA A 52 4.316 41.332 21.374 1.00 0.00 H ATOM 769 H ALA A 52 2.717 41.449 24.622 1.00 0.00 H ATOM 770 N ASP A 53 1.460 39.452 22.124 1.00 22.07 N ATOM 771 CA ASP A 53 0.680 38.504 21.293 1.00 29.81 C ATOM 772 C ASP A 53 -0.780 38.944 21.091 1.00 31.05 C ATOM 773 O ASP A 53 -1.381 38.713 20.038 1.00 25.15 O ATOM 774 CB ASP A 53 0.700 37.037 21.795 1.00 24.53 C ATOM 775 CG ASP A 53 2.029 36.359 21.592 1.00 49.94 C ATOM 776 OD1 ASP A 53 2.884 36.797 20.881 1.00 31.59 O ATOM 777 OD2 ASP A 53 2.194 35.254 22.270 1.00 31.86 O ATOM 778 HA ASP A 53 1.201 38.530 20.336 1.00 0.00 H ATOM 779 HB2 ASP A 53 0.467 37.032 22.860 1.00 0.00 H ATOM 780 HB3 ASP A 53 -0.062 36.475 21.255 1.00 0.00 H ATOM 781 H ASP A 53 1.808 39.174 23.064 1.00 0.00 H ATOM 782 N VAL A 54 -1.368 39.569 22.102 1.00 33.70 N ATOM 783 CA VAL A 54 -2.747 40.019 21.985 1.00 26.35 C ATOM 784 C VAL A 54 -2.818 41.202 21.023 1.00 27.92 C ATOM 785 O VAL A 54 -3.657 41.208 20.125 1.00 25.18 O ATOM 786 CB VAL A 54 -3.388 40.274 23.360 1.00 32.53 C ATOM 787 CG1 VAL A 54 -4.717 41.010 23.230 1.00 19.74 C ATOM 788 CG2 VAL A 54 -3.625 38.941 24.067 1.00 15.78 C ATOM 789 HA VAL A 54 -3.356 39.225 21.553 1.00 0.00 H ATOM 790 HB VAL A 54 -2.705 40.896 23.938 1.00 0.00 H ATOM 791 HG11 VAL A 54 -4.553 41.971 22.742 1.00 0.00 H ATOM 792 HG12 VAL A 54 -5.406 40.411 22.634 1.00 0.00 H ATOM 793 HG13 VAL A 54 -5.140 41.172 24.222 1.00 0.00 H ATOM 794 HG21 VAL A 54 -4.291 38.325 23.464 1.00 0.00 H ATOM 795 HG22 VAL A 54 -2.673 38.427 24.199 1.00 0.00 H ATOM 796 HG23 VAL A 54 -4.079 39.123 25.041 1.00 0.00 H ATOM 797 H VAL A 54 -0.841 39.738 22.983 1.00 0.00 H ATOM 798 N GLN A 55 -1.911 42.189 21.163 1.00 24.02 N ATOM 799 CA GLN A 55 -1.875 43.354 20.240 1.00 24.85 C ATOM 800 C GLN A 55 -1.646 42.943 18.778 1.00 23.16 C ATOM 801 O GLN A 55 -2.164 43.551 17.844 1.00 23.07 O ATOM 802 CB GLN A 55 -0.825 44.421 20.615 1.00 23.83 C ATOM 803 CG GLN A 55 -1.180 45.144 21.925 1.00 25.01 C ATOM 804 CD GLN A 55 -0.090 46.089 22.407 1.00 38.61 C ATOM 805 OE1 GLN A 55 -0.372 47.085 23.099 1.00 34.18 O ATOM 806 NE2 GLN A 55 1.164 45.793 22.065 1.00 21.99 N ATOM 807 HA GLN A 55 -2.865 43.796 20.348 1.00 0.00 H ATOM 808 HB2 GLN A 55 0.144 43.936 20.732 1.00 0.00 H ATOM 809 HB3 GLN A 55 -0.767 45.156 19.812 1.00 0.00 H ATOM 810 HG2 GLN A 55 -2.092 45.720 21.766 1.00 0.00 H ATOM 811 HG3 GLN A 55 -1.355 44.395 22.697 1.00 0.00 H ATOM 812 HE22 GLN A 55 1.360 44.952 21.486 1.00 0.00 H ATOM 813 HE21 GLN A 55 1.946 46.403 22.378 1.00 0.00 H ATOM 814 H GLN A 55 -1.218 42.134 21.937 1.00 0.00 H ATOM 815 N ALA A 56 -0.886 41.875 18.555 1.00 26.07 N ATOM 816 CA ALA A 56 -0.637 41.395 17.190 1.00 22.47 C ATOM 817 C ALA A 56 -1.903 40.907 16.492 1.00 22.78 C ATOM 818 O ALA A 56 -1.944 40.771 15.274 1.00 24.16 O ATOM 819 CB ALA A 56 0.398 40.268 17.191 1.00 14.91 C ATOM 820 HA ALA A 56 -0.257 42.252 16.634 1.00 0.00 H ATOM 821 HB1 ALA A 56 1.334 40.636 17.611 1.00 0.00 H ATOM 822 HB2 ALA A 56 0.029 39.438 17.794 1.00 0.00 H ATOM 823 HB3 ALA A 56 0.565 39.929 16.169 1.00 0.00 H ATOM 824 H ALA A 56 -0.461 41.372 19.360 1.00 0.00 H ATOM 825 N VAL A 57 -2.958 40.609 17.240 1.00 24.95 N ATOM 826 CA VAL A 57 -4.174 40.139 16.588 1.00 10.06 C ATOM 827 C VAL A 57 -4.791 41.172 15.630 1.00 21.00 C ATOM 828 O VAL A 57 -5.511 40.814 14.693 1.00 23.58 O ATOM 829 CB VAL A 57 -5.205 39.665 17.604 1.00 23.71 C ATOM 830 CG1 VAL A 57 -6.478 39.241 16.872 1.00 25.40 C ATOM 831 CG2 VAL A 57 -4.677 38.486 18.402 1.00 24.18 C ATOM 832 HA VAL A 57 -3.871 39.289 15.976 1.00 0.00 H ATOM 833 HB VAL A 57 -5.417 40.486 18.289 1.00 0.00 H ATOM 834 HG11 VAL A 57 -6.876 40.090 16.316 1.00 0.00 H ATOM 835 HG12 VAL A 57 -6.246 38.430 16.182 1.00 0.00 H ATOM 836 HG13 VAL A 57 -7.217 38.901 17.598 1.00 0.00 H ATOM 837 HG21 VAL A 57 -4.448 37.664 17.724 1.00 0.00 H ATOM 838 HG22 VAL A 57 -3.773 38.784 18.932 1.00 0.00 H ATOM 839 HG23 VAL A 57 -5.433 38.167 19.120 1.00 0.00 H ATOM 840 H VAL A 57 -2.918 40.709 18.274 1.00 0.00 H ATOM 841 N CYS A 58 -4.541 42.456 15.878 1.00 22.30 N ATOM 842 CA CYS A 58 -5.071 43.573 15.064 1.00 23.98 C ATOM 843 C CYS A 58 -4.517 43.581 13.661 1.00 28.78 C ATOM 844 O CYS A 58 -4.870 44.452 12.869 1.00 26.58 O ATOM 845 CB CYS A 58 -4.795 44.989 15.661 1.00 23.37 C ATOM 846 SG CYS A 58 -5.708 45.378 17.195 1.00 24.18 S ATOM 847 HA CYS A 58 -6.145 43.385 15.061 1.00 0.00 H ATOM 848 HB2 CYS A 58 -5.066 45.731 14.910 1.00 0.00 H ATOM 849 HB3 CYS A 58 -3.729 45.063 15.875 1.00 0.00 H ATOM 850 H CYS A 58 -3.937 42.688 16.692 1.00 0.00 H ATOM 851 N SER A 59 -3.640 42.617 13.387 1.00 35.87 N ATOM 852 CA SER A 59 -3.005 42.436 12.084 1.00 37.39 C ATOM 853 C SER A 59 -3.285 41.056 11.495 1.00 40.41 C ATOM 854 O SER A 59 -2.701 40.693 10.475 1.00 30.18 O ATOM 855 CB SER A 59 -1.506 42.764 12.036 1.00 33.77 C ATOM 856 OG SER A 59 -0.777 41.953 12.932 1.00 71.67 O ATOM 857 HA SER A 59 -3.480 43.188 11.454 1.00 0.00 H ATOM 858 HB2 SER A 59 -1.362 43.810 12.305 1.00 0.00 H ATOM 859 HB3 SER A 59 -1.137 42.597 11.024 1.00 0.00 H ATOM 860 HG SER A 59 -1.105 42.105 13.854 1.00 0.00 H ATOM 861 H SER A 59 -3.392 41.952 14.147 1.00 0.00 H ATOM 862 N GLN A 60 -4.162 40.277 12.136 1.00 29.19 N ATOM 863 CA GLN A 60 -4.492 38.933 11.644 1.00 24.37 C ATOM 864 C GLN A 60 -5.770 38.876 10.779 1.00 29.68 C ATOM 865 O GLN A 60 -5.967 39.661 9.861 1.00 30.51 O ATOM 866 CB GLN A 60 -4.360 37.819 12.705 1.00 15.67 C ATOM 867 CG GLN A 60 -2.946 37.798 13.295 1.00 13.27 C ATOM 868 CD GLN A 60 -2.738 36.994 14.570 1.00 24.87 C ATOM 869 OE1 GLN A 60 -3.559 36.194 15.011 1.00 27.31 O ATOM 870 NE2 GLN A 60 -1.592 37.194 15.196 1.00 21.20 N ATOM 871 HA GLN A 60 -3.699 38.693 10.936 1.00 0.00 H ATOM 872 HB2 GLN A 60 -5.079 37.999 13.504 1.00 0.00 H ATOM 873 HB3 GLN A 60 -4.569 36.855 12.240 1.00 0.00 H ATOM 874 HG2 GLN A 60 -2.279 37.389 12.536 1.00 0.00 H ATOM 875 HG3 GLN A 60 -2.663 38.829 13.507 1.00 0.00 H ATOM 876 HE22 GLN A 60 -0.903 37.873 14.815 1.00 0.00 H ATOM 877 HE21 GLN A 60 -1.379 36.672 16.070 1.00 0.00 H ATOM 878 H GLN A 60 -4.620 40.630 13.001 1.00 0.00 H ATOM 879 N LYS A 61 -6.671 37.958 11.053 1.00 24.50 N ATOM 880 CA LYS A 61 -7.864 37.806 10.229 1.00 26.10 C ATOM 881 C LYS A 61 -9.032 38.787 10.439 1.00 25.94 C ATOM 882 O LYS A 61 -9.765 38.744 11.438 1.00 32.63 O ATOM 883 CB LYS A 61 -8.383 36.381 10.337 1.00 31.65 C ATOM 884 CG LYS A 61 -9.269 36.045 9.157 1.00 41.12 C ATOM 885 CD LYS A 61 -8.428 36.141 7.899 1.00 89.78 C ATOM 886 CE LYS A 61 -9.202 36.392 6.622 1.00100.00 C ATOM 887 NZ LYS A 61 -8.317 36.388 5.442 1.00 58.98 N ATOM 888 HA LYS A 61 -7.501 38.059 9.233 1.00 0.00 H ATOM 889 HB2 LYS A 61 -7.538 35.693 10.358 1.00 0.00 H ATOM 890 HB3 LYS A 61 -8.958 36.278 11.257 1.00 0.00 H ATOM 891 HG2 LYS A 61 -9.661 35.034 9.264 1.00 0.00 H ATOM 892 HG3 LYS A 61 -10.098 36.751 9.103 1.00 0.00 H ATOM 893 HD2 LYS A 61 -7.718 36.958 8.029 1.00 0.00 H ATOM 894 HD3 LYS A 61 -7.884 35.203 7.785 1.00 0.00 H ATOM 895 HE2 LYS A 61 -9.695 37.362 6.692 1.00 0.00 H ATOM 896 HE3 LYS A 61 -9.953 35.611 6.504 1.00 0.00 H ATOM 897 HZ1 LYS A 61 -7.601 37.135 5.545 1.00 0.00 H ATOM 898 HZ2 LYS A 61 -7.847 35.463 5.366 1.00 0.00 H ATOM 899 HZ3 LYS A 61 -8.881 36.563 4.586 1.00 0.00 H ATOM 900 H LYS A 61 -6.530 37.331 11.870 1.00 0.00 H ATOM 901 N ASN A 62 -9.271 39.633 9.435 1.00 24.98 N ATOM 902 CA ASN A 62 -10.374 40.615 9.489 1.00 29.37 C ATOM 903 C ASN A 62 -11.779 40.007 9.333 1.00 30.45 C ATOM 904 O ASN A 62 -12.069 39.302 8.365 1.00 34.06 O ATOM 905 CB ASN A 62 -10.121 41.670 8.395 1.00 19.99 C ATOM 906 CG ASN A 62 -11.040 42.874 8.364 1.00 26.83 C ATOM 907 OD1 ASN A 62 -11.353 43.427 7.282 1.00 31.18 O ATOM 908 ND2 ASN A 62 -11.460 43.327 9.530 1.00 31.28 N ATOM 909 HA ASN A 62 -10.371 41.056 10.486 1.00 0.00 H ATOM 910 HB2 ASN A 62 -9.103 42.038 8.524 1.00 0.00 H ATOM 911 HB3 ASN A 62 -10.205 41.169 7.431 1.00 0.00 H ATOM 912 HD22 ASN A 62 -11.181 42.843 10.407 1.00 0.00 H ATOM 913 HD21 ASN A 62 -12.070 44.168 9.572 1.00 0.00 H ATOM 914 H ASN A 62 -8.664 39.600 8.591 1.00 0.00 H ATOM 915 N VAL A 63 -12.679 40.270 10.269 1.00 32.83 N ATOM 916 CA VAL A 63 -14.062 39.755 10.218 1.00 22.94 C ATOM 917 C VAL A 63 -15.031 40.829 10.649 1.00 38.03 C ATOM 918 O VAL A 63 -14.601 41.899 11.087 1.00 25.80 O ATOM 919 CB VAL A 63 -14.286 38.544 11.144 1.00 25.50 C ATOM 920 CG1 VAL A 63 -13.412 37.396 10.681 1.00 27.13 C ATOM 921 CG2 VAL A 63 -13.900 38.854 12.594 1.00 21.40 C ATOM 922 HA VAL A 63 -14.229 39.447 9.186 1.00 0.00 H ATOM 923 HB VAL A 63 -15.346 38.293 11.101 1.00 0.00 H ATOM 924 HG11 VAL A 63 -13.677 37.129 9.658 1.00 0.00 H ATOM 925 HG12 VAL A 63 -12.366 37.699 10.720 1.00 0.00 H ATOM 926 HG13 VAL A 63 -13.567 36.537 11.333 1.00 0.00 H ATOM 927 HG21 VAL A 63 -12.846 39.127 12.638 1.00 0.00 H ATOM 928 HG22 VAL A 63 -14.507 39.682 12.961 1.00 0.00 H ATOM 929 HG23 VAL A 63 -14.074 37.973 13.211 1.00 0.00 H ATOM 930 H VAL A 63 -12.399 40.865 11.075 1.00 0.00 H ATOM 931 N ALA A 64 -16.336 40.548 10.583 1.00 34.32 N ATOM 932 CA ALA A 64 -17.327 41.535 11.026 1.00 33.12 C ATOM 933 C ALA A 64 -17.578 41.477 12.513 1.00 24.01 C ATOM 934 O ALA A 64 -17.559 40.407 13.111 1.00 25.91 O ATOM 935 CB ALA A 64 -18.688 41.318 10.379 1.00 29.98 C ATOM 936 HA ALA A 64 -16.895 42.493 10.736 1.00 0.00 H ATOM 937 HB1 ALA A 64 -18.591 41.399 9.296 1.00 0.00 H ATOM 938 HB2 ALA A 64 -19.059 40.326 10.639 1.00 0.00 H ATOM 939 HB3 ALA A 64 -19.385 42.074 10.740 1.00 0.00 H ATOM 940 H ALA A 64 -16.650 39.627 10.216 1.00 0.00 H ATOM 941 N CYS A 65 -17.823 42.641 13.113 1.00 21.59 N ATOM 942 CA CYS A 65 -18.149 42.703 14.524 1.00 24.54 C ATOM 943 C CYS A 65 -19.648 42.365 14.648 1.00 45.06 C ATOM 944 O CYS A 65 -20.400 42.429 13.672 1.00 27.22 O ATOM 945 CB CYS A 65 -17.919 44.130 15.100 1.00 26.45 C ATOM 946 SG CYS A 65 -16.221 44.772 14.903 1.00 28.83 S ATOM 947 HA CYS A 65 -17.515 42.010 15.077 1.00 0.00 H ATOM 948 HB2 CYS A 65 -18.152 44.108 16.165 1.00 0.00 H ATOM 949 HB3 CYS A 65 -18.601 44.814 14.595 1.00 0.00 H ATOM 950 H CYS A 65 -17.780 43.520 12.559 1.00 0.00 H ATOM 951 N ALA A 66 -20.114 42.035 15.854 1.00 25.11 N ATOM 952 CA ALA A 66 -21.513 41.696 16.112 1.00 29.88 C ATOM 953 C ALA A 66 -22.460 42.837 15.783 1.00 42.71 C ATOM 954 O ALA A 66 -23.644 42.632 15.549 1.00 33.98 O ATOM 955 CB ALA A 66 -21.717 41.327 17.574 1.00 28.51 C ATOM 956 HA ALA A 66 -21.740 40.850 15.463 1.00 0.00 H ATOM 957 HB1 ALA A 66 -21.095 40.467 17.821 1.00 0.00 H ATOM 958 HB2 ALA A 66 -21.437 42.172 18.203 1.00 0.00 H ATOM 959 HB3 ALA A 66 -22.765 41.079 17.742 1.00 0.00 H ATOM 960 H ALA A 66 -19.447 42.018 16.652 1.00 0.00 H ATOM 961 N ASN A 67 -21.956 44.063 15.811 1.00 31.40 N ATOM 962 CA ASN A 67 -22.788 45.210 15.497 1.00 26.31 C ATOM 963 C ASN A 67 -22.766 45.556 14.017 1.00 32.85 C ATOM 964 O ASN A 67 -23.239 46.633 13.665 1.00 35.75 O ATOM 965 CB ASN A 67 -22.312 46.466 16.252 1.00 26.07 C ATOM 966 CG ASN A 67 -20.932 47.000 15.803 1.00 33.95 C ATOM 967 OD1 ASN A 67 -20.324 46.616 14.781 1.00 32.77 O ATOM 968 ND2 ASN A 67 -20.374 47.902 16.591 1.00 33.67 N ATOM 969 HA ASN A 67 -23.797 44.926 15.798 1.00 0.00 H ATOM 970 HB2 ASN A 67 -23.049 47.255 16.099 1.00 0.00 H ATOM 971 HB3 ASN A 67 -22.255 46.224 17.313 1.00 0.00 H ATOM 972 HD22 ASN A 67 -20.873 48.227 17.444 1.00 0.00 H ATOM 973 HD21 ASN A 67 -19.436 48.287 16.359 1.00 0.00 H ATOM 974 H ASN A 67 -20.956 44.204 16.060 1.00 0.00 H ATOM 975 N GLY A 68 -22.175 44.740 13.135 1.00 32.18 N ATOM 976 CA GLY A 68 -22.161 45.155 11.732 1.00 31.71 C ATOM 977 C GLY A 68 -20.913 45.917 11.278 1.00 36.01 C ATOM 978 O GLY A 68 -20.616 45.961 10.076 1.00 27.70 O ATOM 979 HA3 GLY A 68 -23.026 45.797 11.564 1.00 0.00 H ATOM 980 HA2 GLY A 68 -22.250 44.260 11.117 1.00 0.00 H ATOM 981 H GLY A 68 -21.742 43.844 13.436 1.00 0.00 H ATOM 982 N GLN A 69 -20.159 46.473 12.232 1.00 31.73 N ATOM 983 CA GLN A 69 -18.937 47.186 11.855 1.00 28.76 C ATOM 984 C GLN A 69 -17.858 46.202 11.373 1.00 26.78 C ATOM 985 O GLN A 69 -17.910 44.997 11.676 1.00 40.80 O ATOM 986 CB GLN A 69 -18.403 48.044 13.000 1.00 35.58 C ATOM 987 CG GLN A 69 -18.861 49.488 12.816 1.00 53.43 C ATOM 988 CD GLN A 69 -19.075 50.189 14.143 1.00100.00 C ATOM 989 OE1 GLN A 69 -18.453 49.829 15.150 1.00 93.32 O ATOM 990 NE2 GLN A 69 -19.987 51.161 14.151 1.00100.00 N ATOM 991 HA GLN A 69 -19.194 47.855 11.034 1.00 0.00 H ATOM 992 HB2 GLN A 69 -18.782 47.661 13.948 1.00 0.00 H ATOM 993 HB3 GLN A 69 -17.314 48.007 13.004 1.00 0.00 H ATOM 994 HG2 GLN A 69 -18.102 50.029 12.250 1.00 0.00 H ATOM 995 HG3 GLN A 69 -19.799 49.492 12.260 1.00 0.00 H ATOM 996 HE22 GLN A 69 -20.478 51.420 13.272 1.00 0.00 H ATOM 997 HE21 GLN A 69 -20.207 51.660 15.036 1.00 0.00 H ATOM 998 H GLN A 69 -20.438 46.400 13.231 1.00 0.00 H ATOM 999 N THR A 70 -16.879 46.721 10.619 1.00 34.95 N ATOM 1000 CA THR A 70 -15.840 45.861 10.062 1.00 33.72 C ATOM 1001 C THR A 70 -14.434 46.042 10.595 1.00 24.12 C ATOM 1002 O THR A 70 -13.510 45.626 9.915 1.00 28.30 O ATOM 1003 CB THR A 70 -15.810 45.868 8.526 1.00 56.84 C ATOM 1004 OG1 THR A 70 -16.310 47.104 8.050 1.00 79.03 O ATOM 1005 CG2 THR A 70 -16.604 44.708 7.950 1.00 42.64 C ATOM 1006 HA THR A 70 -16.163 44.885 10.426 1.00 0.00 H ATOM 1007 HB THR A 70 -14.778 45.747 8.198 1.00 0.00 H ATOM 1008 HG1 THR A 70 -16.290 47.107 7.060 1.00 0.00 H ATOM 1009 HG23 THR A 70 -16.201 43.769 8.330 1.00 0.00 H ATOM 1010 HG21 THR A 70 -17.649 44.802 8.245 1.00 0.00 H ATOM 1011 HG22 THR A 70 -16.530 44.723 6.863 1.00 0.00 H ATOM 1012 H THR A 70 -16.860 47.743 10.430 1.00 0.00 H ATOM 1013 N ASN A 71 -14.276 46.615 11.785 1.00 26.88 N ATOM 1014 CA ASN A 71 -12.955 46.750 12.368 1.00 25.34 C ATOM 1015 C ASN A 71 -12.616 45.654 13.395 1.00 25.16 C ATOM 1016 O ASN A 71 -11.895 45.951 14.361 1.00 22.43 O ATOM 1017 CB ASN A 71 -12.737 48.157 12.988 1.00 22.08 C ATOM 1018 CG ASN A 71 -13.656 48.433 14.150 1.00 30.74 C ATOM 1019 OD1 ASN A 71 -14.840 48.125 14.077 1.00 33.01 O ATOM 1020 ND2 ASN A 71 -13.132 49.013 15.221 1.00 27.54 N ATOM 1021 HA ASN A 71 -12.264 46.623 11.534 1.00 0.00 H ATOM 1022 HB2 ASN A 71 -11.706 48.229 13.334 1.00 0.00 H ATOM 1023 HB3 ASN A 71 -12.914 48.908 12.218 1.00 0.00 H ATOM 1024 HD22 ASN A 71 -12.121 49.257 15.238 1.00 0.00 H ATOM 1025 HD21 ASN A 71 -13.732 49.224 16.044 1.00 0.00 H ATOM 1026 H ASN A 71 -15.106 46.969 12.301 1.00 0.00 H ATOM 1027 N CYS A 72 -13.128 44.409 13.203 1.00 19.05 N ATOM 1028 CA CYS A 72 -12.855 43.291 14.117 1.00 21.63 C ATOM 1029 C CYS A 72 -11.850 42.308 13.523 1.00 32.61 C ATOM 1030 O CYS A 72 -11.798 42.200 12.302 1.00 26.32 O ATOM 1031 CB CYS A 72 -14.157 42.573 14.514 1.00 19.79 C ATOM 1032 SG CYS A 72 -15.014 43.433 15.856 1.00 25.11 S ATOM 1033 HA CYS A 72 -12.408 43.710 15.019 1.00 0.00 H ATOM 1034 HB2 CYS A 72 -13.917 41.561 14.839 1.00 0.00 H ATOM 1035 HB3 CYS A 72 -14.815 42.528 13.646 1.00 0.00 H ATOM 1036 H CYS A 72 -13.737 44.241 12.377 1.00 0.00 H ATOM 1037 N TYR A 73 -11.056 41.606 14.365 1.00 26.75 N ATOM 1038 CA TYR A 73 -10.025 40.650 13.904 1.00 26.40 C ATOM 1039 C TYR A 73 -10.064 39.375 14.700 1.00 24.69 C ATOM 1040 O TYR A 73 -10.207 39.440 15.923 1.00 22.79 O ATOM 1041 CB TYR A 73 -8.564 41.217 14.015 1.00 22.55 C ATOM 1042 CG TYR A 73 -8.423 42.391 13.079 1.00 21.21 C ATOM 1043 CD1 TYR A 73 -8.916 43.631 13.483 1.00 24.84 C ATOM 1044 CD2 TYR A 73 -7.929 42.252 11.778 1.00 26.95 C ATOM 1045 CE1 TYR A 73 -8.906 44.726 12.626 1.00 26.47 C ATOM 1046 CE2 TYR A 73 -7.869 43.354 10.917 1.00 21.77 C ATOM 1047 CZ TYR A 73 -8.380 44.580 11.346 1.00 35.66 C ATOM 1048 OH TYR A 73 -8.357 45.677 10.547 1.00 49.82 O ATOM 1049 HA TYR A 73 -10.263 40.467 12.856 1.00 0.00 H ATOM 1050 HB3 TYR A 73 -7.849 40.442 13.740 1.00 0.00 H ATOM 1051 HB2 TYR A 73 -8.373 41.540 15.039 1.00 0.00 H ATOM 1052 HD2 TYR A 73 -7.588 41.277 11.431 1.00 0.00 H ATOM 1053 HE2 TYR A 73 -7.429 43.256 9.925 1.00 0.00 H ATOM 1054 HE1 TYR A 73 -9.305 45.686 12.953 1.00 0.00 H ATOM 1055 HD1 TYR A 73 -9.317 43.744 14.490 1.00 0.00 H ATOM 1056 HH TYR A 73 -8.762 46.442 11.027 1.00 0.00 H ATOM 1057 H TYR A 73 -11.177 41.746 15.388 1.00 0.00 H ATOM 1058 N GLN A 74 -9.922 38.232 14.015 1.00 22.95 N ATOM 1059 CA GLN A 74 -9.912 36.904 14.655 1.00 22.50 C ATOM 1060 C GLN A 74 -8.476 36.348 14.756 1.00 25.30 C ATOM 1061 O GLN A 74 -7.711 36.421 13.785 1.00 25.20 O ATOM 1062 CB GLN A 74 -10.834 35.910 13.902 1.00 20.63 C ATOM 1063 CG GLN A 74 -10.853 34.580 14.669 1.00 26.88 C ATOM 1064 CD GLN A 74 -11.695 33.545 13.956 1.00 49.84 C ATOM 1065 OE1 GLN A 74 -11.190 32.492 13.559 1.00 66.79 O ATOM 1066 NE2 GLN A 74 -12.967 33.871 13.751 1.00 34.82 N ATOM 1067 HA GLN A 74 -10.302 37.023 15.666 1.00 0.00 H ATOM 1068 HB2 GLN A 74 -11.844 36.316 13.846 1.00 0.00 H ATOM 1069 HB3 GLN A 74 -10.453 35.747 12.894 1.00 0.00 H ATOM 1070 HG2 GLN A 74 -9.833 34.207 14.759 1.00 0.00 H ATOM 1071 HG3 GLN A 74 -11.265 34.749 15.664 1.00 0.00 H ATOM 1072 HE22 GLN A 74 -13.337 34.774 14.110 1.00 0.00 H ATOM 1073 HE21 GLN A 74 -13.593 33.223 13.231 1.00 0.00 H ATOM 1074 H GLN A 74 -9.814 38.284 12.982 1.00 0.00 H ATOM 1075 N SER A 75 -8.066 35.797 15.909 1.00 18.14 N ATOM 1076 CA SER A 75 -6.683 35.297 16.039 1.00 19.99 C ATOM 1077 C SER A 75 -6.434 34.082 15.157 1.00 32.80 C ATOM 1078 O SER A 75 -7.302 33.221 15.038 1.00 25.23 O ATOM 1079 CB SER A 75 -6.367 34.946 17.509 1.00 17.31 C ATOM 1080 OG SER A 75 -7.188 33.867 17.999 1.00 23.24 O ATOM 1081 HA SER A 75 -6.021 36.097 15.708 1.00 0.00 H ATOM 1082 HB2 SER A 75 -6.540 35.828 18.126 1.00 0.00 H ATOM 1083 HB3 SER A 75 -5.320 34.652 17.583 1.00 0.00 H ATOM 1084 HG SER A 75 -7.032 33.059 17.449 1.00 0.00 H ATOM 1085 H SER A 75 -8.723 35.722 16.712 1.00 0.00 H ATOM 1086 N TYR A 76 -5.250 33.995 14.551 1.00 22.20 N ATOM 1087 CA TYR A 76 -4.858 32.836 13.715 1.00 27.06 C ATOM 1088 C TYR A 76 -4.884 31.546 14.541 1.00 29.02 C ATOM 1089 O TYR A 76 -5.381 30.502 14.115 1.00 32.14 O ATOM 1090 CB TYR A 76 -3.405 32.981 13.164 1.00 24.94 C ATOM 1091 CG TYR A 76 -3.320 33.944 11.993 1.00 22.82 C ATOM 1092 CD1 TYR A 76 -4.373 34.076 11.089 1.00 23.54 C ATOM 1093 CD2 TYR A 76 -2.190 34.737 11.783 1.00 31.26 C ATOM 1094 CE1 TYR A 76 -4.313 34.939 9.991 1.00 17.69 C ATOM 1095 CE2 TYR A 76 -2.111 35.615 10.694 1.00 23.25 C ATOM 1096 CZ TYR A 76 -3.175 35.725 9.795 1.00 31.43 C ATOM 1097 OH TYR A 76 -3.122 36.619 8.736 1.00 36.07 O ATOM 1098 HA TYR A 76 -5.571 32.800 12.891 1.00 0.00 H ATOM 1099 HB3 TYR A 76 -3.055 32.002 12.837 1.00 0.00 H ATOM 1100 HB2 TYR A 76 -2.762 33.346 13.965 1.00 0.00 H ATOM 1101 HD2 TYR A 76 -1.354 34.672 12.479 1.00 0.00 H ATOM 1102 HE2 TYR A 76 -1.214 36.216 10.547 1.00 0.00 H ATOM 1103 HE1 TYR A 76 -5.148 34.998 9.293 1.00 0.00 H ATOM 1104 HD1 TYR A 76 -5.276 33.485 11.244 1.00 0.00 H ATOM 1105 HH TYR A 76 -3.019 37.539 9.087 1.00 0.00 H ATOM 1106 H TYR A 76 -4.572 34.774 14.670 1.00 0.00 H ATOM 1107 N SER A 77 -4.346 31.592 15.757 1.00 26.49 N ATOM 1108 CA SER A 77 -4.329 30.377 16.564 1.00 25.64 C ATOM 1109 C SER A 77 -5.129 30.455 17.861 1.00 30.68 C ATOM 1110 O SER A 77 -5.626 31.507 18.257 1.00 25.50 O ATOM 1111 CB SER A 77 -2.896 29.899 16.754 1.00 42.51 C ATOM 1112 OG SER A 77 -2.267 30.671 17.747 1.00 58.72 O ATOM 1113 HA SER A 77 -4.870 29.616 16.001 1.00 0.00 H ATOM 1114 HB2 SER A 77 -2.352 30.002 15.815 1.00 0.00 H ATOM 1115 HB3 SER A 77 -2.900 28.852 17.057 1.00 0.00 H ATOM 1116 HG SER A 77 -2.761 30.576 18.600 1.00 0.00 H ATOM 1117 H SER A 77 -3.945 32.478 16.125 1.00 0.00 H ATOM 1118 N THR A 78 -5.316 29.325 18.527 1.00 17.91 N ATOM 1119 CA THR A 78 -6.084 29.368 19.756 1.00 21.80 C ATOM 1120 C THR A 78 -5.238 29.945 20.868 1.00 37.81 C ATOM 1121 O THR A 78 -4.019 29.883 20.763 1.00 24.34 O ATOM 1122 CB THR A 78 -6.556 27.961 20.113 1.00 38.62 C ATOM 1123 OG1 THR A 78 -5.438 27.115 20.290 1.00 30.03 O ATOM 1124 CG2 THR A 78 -7.341 27.452 18.922 1.00 50.63 C ATOM 1125 HA THR A 78 -6.957 30.006 19.620 1.00 0.00 H ATOM 1126 HB THR A 78 -7.150 27.974 21.027 1.00 0.00 H ATOM 1127 HG1 THR A 78 -4.871 27.467 21.021 1.00 0.00 H ATOM 1128 HG23 THR A 78 -8.211 28.089 18.763 1.00 0.00 H ATOM 1129 HG21 THR A 78 -6.707 27.472 18.035 1.00 0.00 H ATOM 1130 HG22 THR A 78 -7.667 26.430 19.113 1.00 0.00 H ATOM 1131 H THR A 78 -4.921 28.429 18.177 1.00 0.00 H ATOM 1132 N MET A 79 -5.859 30.491 21.917 1.00 22.55 N ATOM 1133 CA MET A 79 -5.131 31.073 23.047 1.00 22.06 C ATOM 1134 C MET A 79 -5.709 30.556 24.332 1.00 31.21 C ATOM 1135 O MET A 79 -6.843 30.105 24.365 1.00 22.93 O ATOM 1136 CB MET A 79 -5.234 32.606 23.068 1.00 23.52 C ATOM 1137 CG MET A 79 -4.655 33.247 21.812 1.00 21.15 C ATOM 1138 SD MET A 79 -4.698 35.068 21.926 1.00 27.66 S ATOM 1139 CE MET A 79 -3.456 35.599 20.737 1.00 19.98 C ATOM 1140 HA MET A 79 -4.084 30.791 22.938 1.00 0.00 H ATOM 1141 HB2 MET A 79 -6.284 32.885 23.151 1.00 0.00 H ATOM 1142 HB3 MET A 79 -4.690 32.981 23.935 1.00 0.00 H ATOM 1143 HG2 MET A 79 -5.239 32.930 20.948 1.00 0.00 H ATOM 1144 HG3 MET A 79 -3.622 32.922 21.690 1.00 0.00 H ATOM 1145 HE1 MET A 79 -2.486 35.190 21.019 1.00 0.00 H ATOM 1146 HE2 MET A 79 -3.728 35.240 19.744 1.00 0.00 H ATOM 1147 HE3 MET A 79 -3.404 36.688 20.730 1.00 0.00 H ATOM 1148 H MET A 79 -6.899 30.503 21.932 1.00 0.00 H ATOM 1149 N SER A 80 -4.951 30.632 25.401 1.00 23.22 N ATOM 1150 CA SER A 80 -5.485 30.172 26.662 1.00 22.89 C ATOM 1151 C SER A 80 -6.386 31.245 27.268 1.00 28.97 C ATOM 1152 O SER A 80 -5.899 32.340 27.558 1.00 23.33 O ATOM 1153 CB SER A 80 -4.345 29.873 27.615 1.00 19.29 C ATOM 1154 OG SER A 80 -4.800 29.697 28.945 1.00 23.35 O ATOM 1155 HA SER A 80 -6.069 29.267 26.494 1.00 0.00 H ATOM 1156 HB2 SER A 80 -3.638 30.703 27.591 1.00 0.00 H ATOM 1157 HB3 SER A 80 -3.844 28.961 27.290 1.00 0.00 H ATOM 1158 HG SER A 80 -4.028 29.504 29.534 1.00 0.00 H ATOM 1159 H SER A 80 -3.986 31.015 25.341 1.00 0.00 H ATOM 1160 N ILE A 81 -7.681 30.951 27.483 1.00 20.91 N ATOM 1161 CA ILE A 81 -8.590 31.959 28.078 1.00 15.40 C ATOM 1162 C ILE A 81 -9.444 31.421 29.190 1.00 30.26 C ATOM 1163 O ILE A 81 -9.567 30.193 29.344 1.00 20.13 O ATOM 1164 CB ILE A 81 -9.582 32.536 27.055 1.00 22.15 C ATOM 1165 CG1 ILE A 81 -10.613 31.484 26.635 1.00 25.51 C ATOM 1166 CG2 ILE A 81 -8.854 33.048 25.814 1.00 18.77 C ATOM 1167 CD1 ILE A 81 -11.782 32.064 25.864 1.00 44.40 C ATOM 1168 HA ILE A 81 -7.903 32.718 28.452 1.00 0.00 H ATOM 1169 HB ILE A 81 -10.096 33.368 27.537 1.00 0.00 H ATOM 1170 HG12 ILE A 81 -10.117 30.744 26.007 1.00 0.00 H ATOM 1171 HG13 ILE A 81 -10.997 30.998 27.532 1.00 0.00 H ATOM 1172 HD11 ILE A 81 -12.296 32.799 26.484 1.00 0.00 H ATOM 1173 HD12 ILE A 81 -11.415 32.545 24.957 1.00 0.00 H ATOM 1174 HD13 ILE A 81 -12.473 31.264 25.598 1.00 0.00 H ATOM 1175 HG21 ILE A 81 -8.154 33.832 26.103 1.00 0.00 H ATOM 1176 HG22 ILE A 81 -8.310 32.226 25.349 1.00 0.00 H ATOM 1177 HG23 ILE A 81 -9.581 33.450 25.108 1.00 0.00 H ATOM 1178 H ILE A 81 -8.046 30.011 27.230 1.00 0.00 H ATOM 1179 N THR A 82 -10.063 32.380 29.920 1.00 16.72 N ATOM 1180 CA THR A 82 -10.989 32.038 31.003 1.00 17.27 C ATOM 1181 C THR A 82 -12.258 32.878 30.884 1.00 30.73 C ATOM 1182 O THR A 82 -12.154 34.097 30.948 1.00 24.05 O ATOM 1183 CB THR A 82 -10.413 32.192 32.441 1.00 24.77 C ATOM 1184 OG1 THR A 82 -9.183 31.498 32.594 1.00 30.51 O ATOM 1185 CG2 THR A 82 -11.409 31.679 33.496 1.00 22.58 C ATOM 1186 HA THR A 82 -11.194 30.975 30.874 1.00 0.00 H ATOM 1187 HB THR A 82 -10.238 33.257 32.592 1.00 0.00 H ATOM 1188 HG1 THR A 82 -9.325 30.534 32.417 1.00 0.00 H ATOM 1189 HG23 THR A 82 -12.357 32.206 33.386 1.00 0.00 H ATOM 1190 HG21 THR A 82 -11.568 30.610 33.354 1.00 0.00 H ATOM 1191 HG22 THR A 82 -11.005 31.858 34.492 1.00 0.00 H ATOM 1192 H THR A 82 -9.877 33.381 29.707 1.00 0.00 H ATOM 1193 N ASP A 83 -13.430 32.235 30.723 1.00 27.07 N ATOM 1194 CA ASP A 83 -14.728 32.926 30.637 1.00 21.82 C ATOM 1195 C ASP A 83 -15.401 33.049 32.008 1.00 30.24 C ATOM 1196 O ASP A 83 -15.476 32.098 32.774 1.00 31.97 O ATOM 1197 CB ASP A 83 -15.726 32.224 29.670 1.00 23.98 C ATOM 1198 CG ASP A 83 -15.502 32.692 28.249 1.00 45.46 C ATOM 1199 OD1 ASP A 83 -15.635 33.847 27.921 1.00 39.01 O ATOM 1200 OD2 ASP A 83 -15.137 31.760 27.401 1.00 57.64 O ATOM 1201 HA ASP A 83 -14.493 33.916 30.246 1.00 0.00 H ATOM 1202 HB2 ASP A 83 -15.577 31.145 29.721 1.00 0.00 H ATOM 1203 HB3 ASP A 83 -16.746 32.463 29.971 1.00 0.00 H ATOM 1204 H ASP A 83 -13.418 31.197 30.656 1.00 0.00 H ATOM 1205 N CYS A 84 -15.916 34.225 32.335 1.00 24.13 N ATOM 1206 CA CYS A 84 -16.576 34.419 33.621 1.00 22.92 C ATOM 1207 C CYS A 84 -18.036 34.850 33.390 1.00 35.05 C ATOM 1208 O CYS A 84 -18.314 35.801 32.680 1.00 23.82 O ATOM 1209 CB CYS A 84 -15.868 35.501 34.460 1.00 23.43 C ATOM 1210 SG CYS A 84 -14.155 35.149 34.934 1.00 24.91 S ATOM 1211 HA CYS A 84 -16.536 33.474 34.163 1.00 0.00 H ATOM 1212 HB2 CYS A 84 -16.444 35.644 35.374 1.00 0.00 H ATOM 1213 HB3 CYS A 84 -15.871 36.425 33.882 1.00 0.00 H ATOM 1214 H CYS A 84 -15.849 35.019 31.667 1.00 0.00 H ATOM 1215 N ARG A 85 -18.992 34.139 33.968 1.00 20.30 N ATOM 1216 CA ARG A 85 -20.392 34.484 33.793 1.00 28.45 C ATOM 1217 C ARG A 85 -21.164 34.452 35.123 1.00 29.93 C ATOM 1218 O ARG A 85 -21.047 33.519 35.924 1.00 27.73 O ATOM 1219 CB ARG A 85 -21.047 33.759 32.598 1.00 23.54 C ATOM 1220 CG ARG A 85 -22.516 33.446 32.799 1.00 46.21 C ATOM 1221 CD ARG A 85 -23.388 33.730 31.593 1.00 28.23 C ATOM 1222 NE ARG A 85 -22.731 33.851 30.272 1.00 23.92 N ATOM 1223 CZ ARG A 85 -23.345 34.451 29.215 1.00 37.20 C ATOM 1224 NH1 ARG A 85 -24.586 34.965 29.251 1.00 25.86 N ATOM 1225 NH2 ARG A 85 -22.728 34.560 28.049 1.00 18.85 N ATOM 1226 HA ARG A 85 -20.446 35.530 33.490 1.00 0.00 H ATOM 1227 HB2 ARG A 85 -20.948 34.392 31.716 1.00 0.00 H ATOM 1228 HB3 ARG A 85 -20.516 32.822 32.432 1.00 0.00 H ATOM 1229 HG2 ARG A 85 -22.609 32.388 33.045 1.00 0.00 H ATOM 1230 HG3 ARG A 85 -22.881 34.045 33.633 1.00 0.00 H ATOM 1231 HD2 ARG A 85 -23.909 34.668 31.783 1.00 0.00 H ATOM 1232 HD3 ARG A 85 -24.115 32.921 31.521 1.00 0.00 H ATOM 1233 HE ARG A 85 -21.773 33.467 30.148 1.00 0.00 H ATOM 1234 HH12 ARG A 85 -24.990 35.409 28.402 1.00 0.00 H ATOM 1235 HH11 ARG A 85 -25.143 34.919 30.128 1.00 0.00 H ATOM 1236 HH22 ARG A 85 -23.207 35.020 27.248 1.00 0.00 H ATOM 1237 HH21 ARG A 85 -21.765 34.185 27.933 1.00 0.00 H ATOM 1238 H ARG A 85 -18.736 33.321 34.557 1.00 0.00 H ATOM 1239 N GLU A 86 -21.941 35.505 35.376 1.00 23.69 N ATOM 1240 CA GLU A 86 -22.689 35.612 36.613 1.00 21.73 C ATOM 1241 C GLU A 86 -23.760 34.526 36.722 1.00 36.85 C ATOM 1242 O GLU A 86 -24.416 34.211 35.736 1.00 24.91 O ATOM 1243 CB GLU A 86 -23.316 37.009 36.674 1.00 32.13 C ATOM 1244 CG GLU A 86 -23.939 37.347 38.046 1.00 42.70 C ATOM 1245 CD GLU A 86 -24.732 38.625 38.029 1.00 55.07 C ATOM 1246 OE1 GLU A 86 -24.989 39.264 37.011 1.00 32.20 O ATOM 1247 OE2 GLU A 86 -25.083 39.027 39.218 1.00 41.12 O ATOM 1248 HA GLU A 86 -22.014 35.467 37.457 1.00 0.00 H ATOM 1249 HB2 GLU A 86 -22.542 37.745 36.456 1.00 0.00 H ATOM 1250 HB3 GLU A 86 -24.097 37.070 35.916 1.00 0.00 H ATOM 1251 HG2 GLU A 86 -24.600 36.531 38.339 1.00 0.00 H ATOM 1252 HG3 GLU A 86 -23.137 37.444 38.778 1.00 0.00 H ATOM 1253 H GLU A 86 -22.012 36.266 34.671 1.00 0.00 H ATOM 1254 N THR A 87 -23.930 33.945 37.916 1.00 27.77 N ATOM 1255 CA THR A 87 -24.923 32.913 38.150 1.00 30.87 C ATOM 1256 C THR A 87 -26.286 33.563 38.358 1.00 38.39 C ATOM 1257 O THR A 87 -26.371 34.767 38.610 1.00 30.90 O ATOM 1258 CB THR A 87 -24.653 32.126 39.438 1.00 30.45 C ATOM 1259 OG1 THR A 87 -24.853 33.005 40.522 1.00 33.72 O ATOM 1260 CG2 THR A 87 -23.248 31.558 39.481 1.00 28.34 C ATOM 1261 HA THR A 87 -24.887 32.251 37.285 1.00 0.00 H ATOM 1262 HB THR A 87 -25.333 31.275 39.486 1.00 0.00 H ATOM 1263 HG1 THR A 87 -25.785 33.337 40.508 1.00 0.00 H ATOM 1264 HG23 THR A 87 -23.105 30.881 38.639 1.00 0.00 H ATOM 1265 HG21 THR A 87 -22.526 32.372 39.420 1.00 0.00 H ATOM 1266 HG22 THR A 87 -23.106 31.014 40.415 1.00 0.00 H ATOM 1267 H THR A 87 -23.326 34.245 38.708 1.00 0.00 H ATOM 1268 N GLY A 88 -27.337 32.738 38.275 1.00 41.17 N ATOM 1269 CA GLY A 88 -28.735 33.143 38.413 1.00 30.68 C ATOM 1270 C GLY A 88 -29.159 33.595 39.808 1.00 31.18 C ATOM 1271 O GLY A 88 -30.040 34.455 39.934 1.00 46.30 O ATOM 1272 HA3 GLY A 88 -29.359 32.295 38.132 1.00 0.00 H ATOM 1273 HA2 GLY A 88 -28.914 33.969 37.724 1.00 0.00 H ATOM 1274 H GLY A 88 -27.144 31.731 38.099 1.00 0.00 H ATOM 1275 N SER A 89 -28.515 33.027 40.834 1.00 32.37 N ATOM 1276 CA SER A 89 -28.735 33.362 42.235 1.00 51.62 C ATOM 1277 C SER A 89 -28.061 34.699 42.651 1.00 59.61 C ATOM 1278 O SER A 89 -28.455 35.395 43.590 1.00 53.95 O ATOM 1279 CB SER A 89 -28.261 32.212 43.111 1.00 48.03 C ATOM 1280 OG SER A 89 -27.424 31.331 42.379 1.00 68.85 O ATOM 1281 HA SER A 89 -29.805 33.512 42.376 1.00 0.00 H ATOM 1282 HB2 SER A 89 -29.127 31.661 43.477 1.00 0.00 H ATOM 1283 HB3 SER A 89 -27.704 32.614 43.957 1.00 0.00 H ATOM 1284 HG SER A 89 -27.129 30.592 42.968 1.00 0.00 H ATOM 1285 H SER A 89 -27.808 32.296 40.617 1.00 0.00 H ATOM 1286 N SER A 90 -27.020 35.073 41.935 1.00 54.04 N ATOM 1287 CA SER A 90 -26.279 36.301 42.166 1.00 50.40 C ATOM 1288 C SER A 90 -27.138 37.597 42.187 1.00 43.44 C ATOM 1289 O SER A 90 -27.974 37.854 41.302 1.00 80.55 O ATOM 1290 CB SER A 90 -25.142 36.347 41.152 1.00 30.46 C ATOM 1291 OG SER A 90 -24.369 37.518 41.300 1.00 40.10 O ATOM 1292 HA SER A 90 -25.883 36.278 43.181 1.00 0.00 H ATOM 1293 HB2 SER A 90 -25.562 36.323 40.146 1.00 0.00 H ATOM 1294 HB3 SER A 90 -24.501 35.477 41.297 1.00 0.00 H ATOM 1295 HG SER A 90 -24.945 38.312 41.164 1.00 0.00 H ATOM 1296 H SER A 90 -26.711 34.453 41.159 1.00 0.00 H ATOM 1297 N LYS A 91 -26.893 38.409 43.234 1.00 50.56 N ATOM 1298 CA LYS A 91 -27.520 39.705 43.482 1.00 59.03 C ATOM 1299 C LYS A 91 -26.544 40.690 44.159 1.00100.00 C ATOM 1300 O LYS A 91 -25.939 40.412 45.197 1.00 36.78 O ATOM 1301 CB LYS A 91 -28.857 39.609 44.199 1.00 81.35 C ATOM 1302 CG LYS A 91 -29.947 40.431 43.520 1.00100.00 C ATOM 1303 CD LYS A 91 -31.282 40.340 44.257 1.00100.00 C ATOM 1304 CE LYS A 91 -32.459 39.875 43.390 1.00100.00 C ATOM 1305 NZ LYS A 91 -32.827 38.455 43.560 1.00100.00 N ATOM 1306 HA LYS A 91 -27.761 40.118 42.502 1.00 0.00 H ATOM 1307 HB2 LYS A 91 -29.168 38.565 44.219 1.00 0.00 H ATOM 1308 HB3 LYS A 91 -28.733 39.969 45.220 1.00 0.00 H ATOM 1309 HG2 LYS A 91 -29.633 41.474 43.490 1.00 0.00 H ATOM 1310 HG3 LYS A 91 -30.082 40.064 42.503 1.00 0.00 H ATOM 1311 HD2 LYS A 91 -31.168 39.637 45.082 1.00 0.00 H ATOM 1312 HD3 LYS A 91 -31.520 41.327 44.653 1.00 0.00 H ATOM 1313 HE2 LYS A 91 -32.195 40.035 42.345 1.00 0.00 H ATOM 1314 HE3 LYS A 91 -33.328 40.484 43.641 1.00 0.00 H ATOM 1315 HZ1 LYS A 91 -32.014 37.855 43.312 1.00 0.00 H ATOM 1316 HZ2 LYS A 91 -33.096 38.284 44.550 1.00 0.00 H ATOM 1317 HZ3 LYS A 91 -33.629 38.229 42.938 1.00 0.00 H ATOM 1318 H LYS A 91 -26.193 38.083 43.930 1.00 0.00 H ATOM 1319 N TYR A 92 -26.369 41.853 43.539 1.00 34.18 N ATOM 1320 CA TYR A 92 -25.472 42.880 44.066 1.00 46.02 C ATOM 1321 C TYR A 92 -25.808 43.234 45.503 1.00 72.22 C ATOM 1322 O TYR A 92 -26.969 43.392 45.856 1.00 57.54 O ATOM 1323 CB TYR A 92 -25.588 44.170 43.250 1.00 41.70 C ATOM 1324 CG TYR A 92 -24.657 45.248 43.756 1.00 85.80 C ATOM 1325 CD1 TYR A 92 -23.291 45.206 43.476 1.00 71.31 C ATOM 1326 CD2 TYR A 92 -25.128 46.325 44.509 1.00 76.14 C ATOM 1327 CE1 TYR A 92 -22.422 46.207 43.911 1.00 67.60 C ATOM 1328 CE2 TYR A 92 -24.273 47.329 44.963 1.00 90.62 C ATOM 1329 CZ TYR A 92 -22.914 47.278 44.659 1.00 61.97 C ATOM 1330 OH TYR A 92 -22.086 48.267 45.112 1.00 88.05 O ATOM 1331 HA TYR A 92 -24.465 42.467 44.007 1.00 0.00 H ATOM 1332 HB3 TYR A 92 -26.614 44.534 43.311 1.00 0.00 H ATOM 1333 HB2 TYR A 92 -25.342 43.952 42.211 1.00 0.00 H ATOM 1334 HD2 TYR A 92 -26.190 46.383 44.748 1.00 0.00 H ATOM 1335 HE2 TYR A 92 -24.668 48.154 45.556 1.00 0.00 H ATOM 1336 HE1 TYR A 92 -21.361 46.153 43.667 1.00 0.00 H ATOM 1337 HD1 TYR A 92 -22.892 44.369 42.902 1.00 0.00 H ATOM 1338 HH TYR A 92 -21.160 48.084 44.812 1.00 0.00 H ATOM 1339 H TYR A 92 -26.884 42.037 42.655 1.00 0.00 H ATOM 1340 N PRO A 93 -24.812 43.373 46.363 1.00 46.72 N ATOM 1341 CA PRO A 93 -23.398 43.293 46.091 1.00 37.58 C ATOM 1342 C PRO A 93 -22.799 41.948 46.315 1.00 59.39 C ATOM 1343 O PRO A 93 -21.555 41.821 46.372 1.00 50.92 O ATOM 1344 CB PRO A 93 -22.746 44.216 47.097 1.00 69.10 C ATOM 1345 CG PRO A 93 -23.738 44.309 48.235 1.00 61.85 C ATOM 1346 CD PRO A 93 -25.100 44.114 47.585 1.00 72.86 C ATOM 1347 HA PRO A 93 -23.244 43.541 45.041 1.00 0.00 H ATOM 1348 HD3 PRO A 93 -25.761 43.543 48.237 1.00 0.00 H ATOM 1349 HD2 PRO A 93 -25.560 45.075 47.355 1.00 0.00 H ATOM 1350 HG3 PRO A 93 -23.679 45.285 48.717 1.00 0.00 H ATOM 1351 HG2 PRO A 93 -23.550 43.529 48.973 1.00 0.00 H ATOM 1352 HB2 PRO A 93 -21.800 43.800 47.444 1.00 0.00 H ATOM 1353 HB3 PRO A 93 -22.570 45.199 46.659 1.00 0.00 H ATOM 1354 N ASN A 94 -23.637 40.933 46.455 1.00 44.04 N ATOM 1355 CA ASN A 94 -23.030 39.621 46.619 1.00 48.52 C ATOM 1356 C ASN A 94 -22.942 38.992 45.247 1.00 76.86 C ATOM 1357 O ASN A 94 -23.867 38.285 44.860 1.00 69.81 O ATOM 1358 CB ASN A 94 -23.781 38.727 47.600 1.00 97.14 C ATOM 1359 CG ASN A 94 -23.830 39.399 48.949 1.00100.00 C ATOM 1360 OD1 ASN A 94 -24.915 39.613 49.513 1.00100.00 O ATOM 1361 ND2 ASN A 94 -22.655 39.781 49.447 1.00 95.42 N ATOM 1362 HA ASN A 94 -22.039 39.738 47.058 1.00 0.00 H ATOM 1363 HB2 ASN A 94 -24.796 38.561 47.238 1.00 0.00 H ATOM 1364 HB3 ASN A 94 -23.267 37.770 47.688 1.00 0.00 H ATOM 1365 HD22 ASN A 94 -21.778 39.573 48.928 1.00 0.00 H ATOM 1366 HD21 ASN A 94 -22.615 40.287 50.355 1.00 0.00 H ATOM 1367 H ASN A 94 -24.668 41.066 46.448 1.00 0.00 H ATOM 1368 N CYS A 95 -21.851 39.319 44.526 1.00 47.94 N ATOM 1369 CA CYS A 95 -21.630 38.849 43.159 1.00 35.97 C ATOM 1370 C CYS A 95 -20.954 37.488 43.083 1.00 40.10 C ATOM 1371 O CYS A 95 -19.974 37.282 43.786 1.00 64.04 O ATOM 1372 CB CYS A 95 -20.904 39.861 42.247 1.00 25.44 C ATOM 1373 SG CYS A 95 -21.554 41.562 42.166 1.00 33.07 S ATOM 1374 HA CYS A 95 -22.642 38.740 42.769 1.00 0.00 H ATOM 1375 HB2 CYS A 95 -20.924 39.458 41.235 1.00 0.00 H ATOM 1376 HB3 CYS A 95 -19.872 39.925 42.591 1.00 0.00 H ATOM 1377 H CYS A 95 -21.134 39.933 44.962 1.00 0.00 H ATOM 1378 N ALA A 96 -21.478 36.578 42.226 1.00 32.58 N ATOM 1379 CA ALA A 96 -20.953 35.219 42.041 1.00 34.49 C ATOM 1380 C ALA A 96 -20.865 34.822 40.577 1.00 31.80 C ATOM 1381 O ALA A 96 -21.788 35.090 39.786 1.00 33.91 O ATOM 1382 CB ALA A 96 -21.846 34.220 42.760 1.00 45.50 C ATOM 1383 HA ALA A 96 -19.945 35.211 42.456 1.00 0.00 H ATOM 1384 HB1 ALA A 96 -21.870 34.456 43.824 1.00 0.00 H ATOM 1385 HB2 ALA A 96 -22.855 34.276 42.351 1.00 0.00 H ATOM 1386 HB3 ALA A 96 -21.451 33.214 42.619 1.00 0.00 H ATOM 1387 H ALA A 96 -22.306 36.860 41.663 1.00 0.00 H ATOM 1388 N TYR A 97 -19.774 34.129 40.239 1.00 24.17 N ATOM 1389 CA TYR A 97 -19.508 33.717 38.856 1.00 26.38 C ATOM 1390 C TYR A 97 -19.124 32.270 38.636 1.00 35.31 C ATOM 1391 O TYR A 97 -18.535 31.621 39.479 1.00 27.90 O ATOM 1392 CB TYR A 97 -18.305 34.534 38.316 1.00 19.98 C ATOM 1393 CG TYR A 97 -18.619 36.004 38.352 1.00 30.32 C ATOM 1394 CD1 TYR A 97 -18.482 36.769 39.514 1.00 25.93 C ATOM 1395 CD2 TYR A 97 -19.104 36.615 37.196 1.00 20.74 C ATOM 1396 CE1 TYR A 97 -18.811 38.129 39.524 1.00 27.42 C ATOM 1397 CE2 TYR A 97 -19.421 37.975 37.188 1.00 23.87 C ATOM 1398 CZ TYR A 97 -19.274 38.732 38.352 1.00 25.86 C ATOM 1399 OH TYR A 97 -19.607 40.067 38.316 1.00 28.18 O ATOM 1400 HA TYR A 97 -20.460 33.884 38.352 1.00 0.00 H ATOM 1401 HB3 TYR A 97 -18.098 34.235 37.289 1.00 0.00 H ATOM 1402 HB2 TYR A 97 -17.429 34.337 38.934 1.00 0.00 H ATOM 1403 HD2 TYR A 97 -19.237 36.025 36.289 1.00 0.00 H ATOM 1404 HE2 TYR A 97 -19.783 38.445 36.274 1.00 0.00 H ATOM 1405 HE1 TYR A 97 -18.707 38.713 40.438 1.00 0.00 H ATOM 1406 HD1 TYR A 97 -18.113 36.299 40.426 1.00 0.00 H ATOM 1407 HH TYR A 97 -20.562 40.161 38.072 1.00 0.00 H ATOM 1408 H TYR A 97 -19.091 33.873 40.980 1.00 0.00 H ATOM 1409 N LYS A 98 -19.422 31.800 37.442 1.00 22.23 N ATOM 1410 CA LYS A 98 -19.048 30.484 37.029 1.00 26.69 C ATOM 1411 C LYS A 98 -17.786 30.677 36.199 1.00 29.19 C ATOM 1412 O LYS A 98 -17.794 31.534 35.313 1.00 26.12 O ATOM 1413 CB LYS A 98 -20.146 29.908 36.163 1.00 26.27 C ATOM 1414 CG LYS A 98 -19.662 28.819 35.222 1.00 62.08 C ATOM 1415 CD LYS A 98 -20.414 27.513 35.418 1.00 61.11 C ATOM 1416 CE LYS A 98 -19.906 26.382 34.538 1.00 99.60 C ATOM 1417 NZ LYS A 98 -20.808 25.218 34.534 1.00100.00 N ATOM 1418 HA LYS A 98 -18.887 29.808 37.869 1.00 0.00 H ATOM 1419 HB2 LYS A 98 -20.914 29.488 36.812 1.00 0.00 H ATOM 1420 HB3 LYS A 98 -20.576 30.714 35.568 1.00 0.00 H ATOM 1421 HG2 LYS A 98 -19.803 29.155 34.195 1.00 0.00 H ATOM 1422 HG3 LYS A 98 -18.602 28.644 35.403 1.00 0.00 H ATOM 1423 HD2 LYS A 98 -20.315 27.211 36.460 1.00 0.00 H ATOM 1424 HD3 LYS A 98 -21.466 27.683 35.189 1.00 0.00 H ATOM 1425 HE2 LYS A 98 -18.929 26.066 34.905 1.00 0.00 H ATOM 1426 HE3 LYS A 98 -19.807 26.751 33.517 1.00 0.00 H ATOM 1427 HZ1 LYS A 98 -20.903 24.851 35.503 1.00 0.00 H ATOM 1428 HZ2 LYS A 98 -21.742 25.506 34.178 1.00 0.00 H ATOM 1429 HZ3 LYS A 98 -20.414 24.478 33.919 1.00 0.00 H ATOM 1430 H LYS A 98 -19.946 32.406 36.779 1.00 0.00 H ATOM 1431 N THR A 99 -16.751 29.870 36.481 1.00 25.80 N ATOM 1432 CA THR A 99 -15.443 29.883 35.818 1.00 19.94 C ATOM 1433 C THR A 99 -15.281 28.762 34.785 1.00 26.66 C ATOM 1434 O THR A 99 -15.479 27.606 35.124 1.00 29.80 O ATOM 1435 CB THR A 99 -14.318 29.728 36.878 1.00 25.53 C ATOM 1436 OG1 THR A 99 -14.222 30.854 37.741 1.00 22.18 O ATOM 1437 CG2 THR A 99 -12.973 29.442 36.216 1.00 24.31 C ATOM 1438 HA THR A 99 -15.373 30.837 35.295 1.00 0.00 H ATOM 1439 HB THR A 99 -14.591 28.873 37.496 1.00 0.00 H ATOM 1440 HG1 THR A 99 -14.027 31.663 37.205 1.00 0.00 H ATOM 1441 HG23 THR A 99 -13.069 28.577 35.560 1.00 0.00 H ATOM 1442 HG21 THR A 99 -12.665 30.310 35.632 1.00 0.00 H ATOM 1443 HG22 THR A 99 -12.228 29.236 36.984 1.00 0.00 H ATOM 1444 H THR A 99 -16.889 29.172 37.239 1.00 0.00 H ATOM 1445 N THR A 100 -14.905 29.092 33.533 1.00 31.66 N ATOM 1446 CA THR A 100 -14.697 28.124 32.434 1.00 21.17 C ATOM 1447 C THR A 100 -13.397 28.382 31.689 1.00 30.68 C ATOM 1448 O THR A 100 -13.264 29.363 30.972 1.00 25.67 O ATOM 1449 CB THR A 100 -15.855 28.113 31.417 1.00 30.80 C ATOM 1450 OG1 THR A 100 -17.059 27.733 32.066 1.00 34.64 O ATOM 1451 CG2 THR A 100 -15.554 27.109 30.323 1.00 25.13 C ATOM 1452 HA THR A 100 -14.653 27.149 32.920 1.00 0.00 H ATOM 1453 HB THR A 100 -15.965 29.110 30.990 1.00 0.00 H ATOM 1454 HG1 THR A 100 -17.262 28.380 32.788 1.00 0.00 H ATOM 1455 HG23 THR A 100 -14.631 27.391 29.817 1.00 0.00 H ATOM 1456 HG21 THR A 100 -15.441 26.118 30.762 1.00 0.00 H ATOM 1457 HG22 THR A 100 -16.374 27.099 29.605 1.00 0.00 H ATOM 1458 H THR A 100 -14.750 30.099 33.325 1.00 0.00 H ATOM 1459 N GLN A 101 -12.426 27.492 31.909 1.00 29.32 N ATOM 1460 CA GLN A 101 -11.095 27.574 31.302 1.00 24.89 C ATOM 1461 C GLN A 101 -11.093 26.848 29.975 1.00 36.20 C ATOM 1462 O GLN A 101 -11.720 25.812 29.859 1.00 36.64 O ATOM 1463 CB GLN A 101 -10.022 26.984 32.239 1.00 30.47 C ATOM 1464 CG GLN A 101 -8.619 26.872 31.614 1.00 31.76 C ATOM 1465 CD GLN A 101 -7.980 28.204 31.248 1.00 38.88 C ATOM 1466 OE1 GLN A 101 -8.086 29.201 31.982 1.00 27.06 O ATOM 1467 NE2 GLN A 101 -7.290 28.205 30.108 1.00 28.56 N ATOM 1468 HA GLN A 101 -10.854 28.624 31.137 1.00 0.00 H ATOM 1469 HB2 GLN A 101 -9.952 27.621 33.121 1.00 0.00 H ATOM 1470 HB3 GLN A 101 -10.342 25.986 32.538 1.00 0.00 H ATOM 1471 HG2 GLN A 101 -7.968 26.367 32.328 1.00 0.00 H ATOM 1472 HG3 GLN A 101 -8.697 26.272 30.708 1.00 0.00 H ATOM 1473 HE22 GLN A 101 -7.235 27.340 29.533 1.00 0.00 H ATOM 1474 HE21 GLN A 101 -6.806 29.070 29.794 1.00 0.00 H ATOM 1475 H GLN A 101 -12.626 26.696 32.547 1.00 0.00 H ATOM 1476 N ALA A 102 -10.406 27.375 28.973 1.00 24.96 N ATOM 1477 CA ALA A 102 -10.402 26.733 27.666 1.00 25.75 C ATOM 1478 C ALA A 102 -9.336 27.315 26.740 1.00 27.41 C ATOM 1479 O ALA A 102 -8.639 28.285 27.098 1.00 27.89 O ATOM 1480 CB ALA A 102 -11.776 26.971 27.044 1.00 17.70 C ATOM 1481 HA ALA A 102 -10.180 25.673 27.792 1.00 0.00 H ATOM 1482 HB1 ALA A 102 -12.543 26.536 27.684 1.00 0.00 H ATOM 1483 HB2 ALA A 102 -11.948 28.043 26.946 1.00 0.00 H ATOM 1484 HB3 ALA A 102 -11.814 26.504 26.060 1.00 0.00 H ATOM 1485 H ALA A 102 -9.867 28.252 29.120 1.00 0.00 H ATOM 1486 N ASN A 103 -9.230 26.702 25.549 1.00 25.08 N ATOM 1487 CA ASN A 103 -8.301 27.128 24.503 1.00 25.30 C ATOM 1488 C ASN A 103 -9.126 27.468 23.289 1.00 30.35 C ATOM 1489 O ASN A 103 -9.589 26.530 22.663 1.00 28.41 O ATOM 1490 CB ASN A 103 -7.247 26.058 24.167 1.00 25.46 C ATOM 1491 CG ASN A 103 -6.372 25.749 25.391 1.00 31.58 C ATOM 1492 OD1 ASN A 103 -5.402 26.461 25.713 1.00 44.98 O ATOM 1493 ND2 ASN A 103 -6.737 24.697 26.109 1.00100.00 N ATOM 1494 HA ASN A 103 -7.736 27.992 24.854 1.00 0.00 H ATOM 1495 HB2 ASN A 103 -7.752 25.146 23.849 1.00 0.00 H ATOM 1496 HB3 ASN A 103 -6.614 26.422 23.358 1.00 0.00 H ATOM 1497 HD22 ASN A 103 -7.552 24.123 25.813 1.00 0.00 H ATOM 1498 HD21 ASN A 103 -6.209 24.446 26.969 1.00 0.00 H ATOM 1499 H ASN A 103 -9.841 25.881 25.361 1.00 0.00 H ATOM 1500 N LYS A 104 -9.314 28.757 22.981 1.00 24.13 N ATOM 1501 CA LYS A 104 -10.111 29.182 21.832 1.00 26.78 C ATOM 1502 C LYS A 104 -9.510 30.353 21.098 1.00 22.18 C ATOM 1503 O LYS A 104 -8.566 30.957 21.599 1.00 26.39 O ATOM 1504 CB LYS A 104 -11.474 29.654 22.295 1.00 22.52 C ATOM 1505 CG LYS A 104 -12.205 28.607 23.110 1.00 27.39 C ATOM 1506 CD LYS A 104 -13.723 28.707 23.020 1.00 30.83 C ATOM 1507 CE LYS A 104 -14.348 29.385 24.230 1.00 53.30 C ATOM 1508 NZ LYS A 104 -15.816 29.361 24.198 1.00 64.09 N ATOM 1509 HA LYS A 104 -10.159 28.314 21.174 1.00 0.00 H ATOM 1510 HB2 LYS A 104 -11.346 30.547 22.907 1.00 0.00 H ATOM 1511 HB3 LYS A 104 -12.075 29.899 21.419 1.00 0.00 H ATOM 1512 HG2 LYS A 104 -11.903 27.622 22.754 1.00 0.00 H ATOM 1513 HG3 LYS A 104 -11.914 28.719 24.154 1.00 0.00 H ATOM 1514 HD2 LYS A 104 -13.981 29.279 22.129 1.00 0.00 H ATOM 1515 HD3 LYS A 104 -14.133 27.701 22.935 1.00 0.00 H ATOM 1516 HE2 LYS A 104 -14.016 30.423 24.258 1.00 0.00 H ATOM 1517 HE3 LYS A 104 -14.010 28.872 25.131 1.00 0.00 H ATOM 1518 HZ1 LYS A 104 -16.151 29.855 23.347 1.00 0.00 H ATOM 1519 HZ2 LYS A 104 -16.145 28.375 24.180 1.00 0.00 H ATOM 1520 HZ3 LYS A 104 -16.188 29.836 25.045 1.00 0.00 H ATOM 1521 H LYS A 104 -8.876 29.484 23.582 1.00 0.00 H ATOM 1522 N HIS A 105 -10.084 30.676 19.929 1.00 17.20 N ATOM 1523 CA HIS A 105 -9.618 31.837 19.156 1.00 17.10 C ATOM 1524 C HIS A 105 -10.349 33.037 19.715 1.00 29.15 C ATOM 1525 O HIS A 105 -11.478 32.885 20.181 1.00 22.75 O ATOM 1526 CB HIS A 105 -10.039 31.751 17.694 1.00 19.76 C ATOM 1527 CG HIS A 105 -9.489 30.556 16.983 1.00 27.31 C ATOM 1528 ND1 HIS A 105 -8.392 30.673 16.153 1.00 29.91 N ATOM 1529 CD2 HIS A 105 -9.879 29.250 16.980 1.00 26.02 C ATOM 1530 CE1 HIS A 105 -8.128 29.443 15.678 1.00 29.61 C ATOM 1531 NE2 HIS A 105 -9.002 28.564 16.149 1.00 24.35 N ATOM 1532 HA HIS A 105 -8.531 31.890 19.221 1.00 0.00 H ATOM 1533 HB2 HIS A 105 -11.127 31.708 17.650 1.00 0.00 H ATOM 1534 HB3 HIS A 105 -9.691 32.648 17.181 1.00 0.00 H ATOM 1535 HD2 HIS A 105 -10.720 28.824 17.527 1.00 0.00 H ATOM 1536 HE1 HIS A 105 -7.309 29.202 15.000 1.00 0.00 H ATOM 1537 H HIS A 105 -10.868 30.098 19.565 1.00 0.00 H ATOM 1538 N ILE A 106 -9.731 34.220 19.691 1.00 17.31 N ATOM 1539 CA ILE A 106 -10.403 35.411 20.201 1.00 17.27 C ATOM 1540 C ILE A 106 -10.732 36.357 19.043 1.00 22.49 C ATOM 1541 O ILE A 106 -10.048 36.297 18.024 1.00 28.31 O ATOM 1542 CB ILE A 106 -9.603 36.156 21.273 1.00 14.94 C ATOM 1543 CG1 ILE A 106 -8.340 36.751 20.653 1.00 23.80 C ATOM 1544 CG2 ILE A 106 -9.253 35.256 22.466 1.00 16.04 C ATOM 1545 CD1 ILE A 106 -7.560 37.635 21.604 1.00 23.15 C ATOM 1546 HA ILE A 106 -11.318 35.067 20.684 1.00 0.00 H ATOM 1547 HB ILE A 106 -10.229 36.960 21.660 1.00 0.00 H ATOM 1548 HG12 ILE A 106 -7.694 35.933 20.333 1.00 0.00 H ATOM 1549 HG13 ILE A 106 -8.628 37.346 19.786 1.00 0.00 H ATOM 1550 HD11 ILE A 106 -8.189 38.465 21.925 1.00 0.00 H ATOM 1551 HD12 ILE A 106 -7.255 37.052 22.473 1.00 0.00 H ATOM 1552 HD13 ILE A 106 -6.677 38.022 21.096 1.00 0.00 H ATOM 1553 HG21 ILE A 106 -10.171 34.887 22.923 1.00 0.00 H ATOM 1554 HG22 ILE A 106 -8.654 34.413 22.120 1.00 0.00 H ATOM 1555 HG23 ILE A 106 -8.686 35.830 23.199 1.00 0.00 H ATOM 1556 H ILE A 106 -8.767 34.293 19.307 1.00 0.00 H ATOM 1557 N ILE A 107 -11.740 37.242 19.211 1.00 18.14 N ATOM 1558 CA ILE A 107 -12.171 38.252 18.224 1.00 16.71 C ATOM 1559 C ILE A 107 -12.210 39.624 18.908 1.00 23.80 C ATOM 1560 O ILE A 107 -12.933 39.801 19.879 1.00 19.37 O ATOM 1561 CB ILE A 107 -13.562 37.937 17.655 1.00 25.10 C ATOM 1562 CG1 ILE A 107 -13.619 36.512 17.114 1.00 23.74 C ATOM 1563 CG2 ILE A 107 -13.979 38.961 16.579 1.00 20.55 C ATOM 1564 CD1 ILE A 107 -14.895 36.192 16.331 1.00 26.19 C ATOM 1565 HA ILE A 107 -11.461 38.246 17.397 1.00 0.00 H ATOM 1566 HB ILE A 107 -14.279 38.015 18.472 1.00 0.00 H ATOM 1567 HG12 ILE A 107 -12.765 36.362 16.454 1.00 0.00 H ATOM 1568 HG13 ILE A 107 -13.552 35.823 17.956 1.00 0.00 H ATOM 1569 HD11 ILE A 107 -15.761 36.325 16.980 1.00 0.00 H ATOM 1570 HD12 ILE A 107 -14.973 36.864 15.476 1.00 0.00 H ATOM 1571 HD13 ILE A 107 -14.856 35.160 15.981 1.00 0.00 H ATOM 1572 HG21 ILE A 107 -14.003 39.958 17.018 1.00 0.00 H ATOM 1573 HG22 ILE A 107 -13.259 38.940 15.761 1.00 0.00 H ATOM 1574 HG23 ILE A 107 -14.968 38.705 16.200 1.00 0.00 H ATOM 1575 H ILE A 107 -12.256 37.209 20.113 1.00 0.00 H ATOM 1576 N VAL A 108 -11.425 40.596 18.444 1.00 20.87 N ATOM 1577 CA VAL A 108 -11.420 41.906 19.108 1.00 25.95 C ATOM 1578 C VAL A 108 -11.642 43.033 18.108 1.00 27.91 C ATOM 1579 O VAL A 108 -11.400 42.859 16.906 1.00 26.31 O ATOM 1580 CB VAL A 108 -10.109 42.170 19.896 1.00 25.40 C ATOM 1581 CG1 VAL A 108 -9.936 41.204 21.048 1.00 24.04 C ATOM 1582 CG2 VAL A 108 -8.857 42.069 19.019 1.00 24.10 C ATOM 1583 HA VAL A 108 -12.245 41.885 19.821 1.00 0.00 H ATOM 1584 HB VAL A 108 -10.210 43.190 20.268 1.00 0.00 H ATOM 1585 HG11 VAL A 108 -10.775 41.308 21.737 1.00 0.00 H ATOM 1586 HG12 VAL A 108 -9.904 40.184 20.664 1.00 0.00 H ATOM 1587 HG13 VAL A 108 -9.006 41.426 21.570 1.00 0.00 H ATOM 1588 HG21 VAL A 108 -8.793 41.068 18.593 1.00 0.00 H ATOM 1589 HG22 VAL A 108 -8.917 42.804 18.216 1.00 0.00 H ATOM 1590 HG23 VAL A 108 -7.973 42.263 19.626 1.00 0.00 H ATOM 1591 H VAL A 108 -10.819 40.428 17.616 1.00 0.00 H ATOM 1592 N ALA A 109 -12.105 44.193 18.590 1.00 19.79 N ATOM 1593 CA ALA A 109 -12.280 45.354 17.713 1.00 22.63 C ATOM 1594 C ALA A 109 -11.041 46.235 17.918 1.00 27.57 C ATOM 1595 O ALA A 109 -10.640 46.434 19.074 1.00 27.93 O ATOM 1596 CB ALA A 109 -13.530 46.178 18.075 1.00 17.61 C ATOM 1597 HA ALA A 109 -12.403 45.017 16.684 1.00 0.00 H ATOM 1598 HB1 ALA A 109 -14.416 45.550 17.985 1.00 0.00 H ATOM 1599 HB2 ALA A 109 -13.441 46.539 19.100 1.00 0.00 H ATOM 1600 HB3 ALA A 109 -13.614 47.026 17.396 1.00 0.00 H ATOM 1601 H ALA A 109 -12.343 44.271 19.599 1.00 0.00 H ATOM 1602 N CYS A 110 -10.446 46.771 16.822 1.00 25.99 N ATOM 1603 CA CYS A 110 -9.230 47.618 16.932 1.00 27.03 C ATOM 1604 C CYS A 110 -9.391 49.040 16.430 1.00 35.11 C ATOM 1605 O CYS A 110 -10.139 49.332 15.481 1.00 24.04 O ATOM 1606 CB CYS A 110 -8.037 47.016 16.138 1.00 28.90 C ATOM 1607 SG CYS A 110 -7.650 45.314 16.622 1.00 26.45 S ATOM 1608 HA CYS A 110 -9.046 47.641 18.006 1.00 0.00 H ATOM 1609 HB2 CYS A 110 -7.157 47.635 16.311 1.00 0.00 H ATOM 1610 HB3 CYS A 110 -8.285 47.028 15.077 1.00 0.00 H ATOM 1611 H CYS A 110 -10.851 46.584 15.882 1.00 0.00 H ATOM 1612 N GLU A 111 -8.612 49.926 17.028 1.00 33.95 N ATOM 1613 CA GLU A 111 -8.677 51.312 16.624 1.00 38.35 C ATOM 1614 C GLU A 111 -7.463 52.129 17.020 1.00 34.94 C ATOM 1615 O GLU A 111 -6.699 51.796 17.909 1.00 28.76 O ATOM 1616 CB GLU A 111 -9.774 51.906 17.520 1.00 38.71 C ATOM 1617 CG GLU A 111 -10.769 52.880 16.891 1.00100.00 C ATOM 1618 CD GLU A 111 -11.912 53.045 17.856 1.00100.00 C ATOM 1619 OE1 GLU A 111 -11.557 53.613 18.986 1.00 73.61 O ATOM 1620 OE2 GLU A 111 -13.032 52.606 17.642 1.00 79.49 O ATOM 1621 HA GLU A 111 -8.804 51.344 15.542 1.00 0.00 H ATOM 1622 HB2 GLU A 111 -10.348 51.073 17.924 1.00 0.00 H ATOM 1623 HB3 GLU A 111 -9.277 52.432 18.335 1.00 0.00 H ATOM 1624 HG2 GLU A 111 -10.288 53.842 16.715 1.00 0.00 H ATOM 1625 HG3 GLU A 111 -11.135 52.480 15.945 1.00 0.00 H ATOM 1626 H GLU A 111 -7.959 49.628 17.781 1.00 0.00 H ATOM 1627 N GLY A 112 -7.341 53.276 16.381 1.00 37.62 N ATOM 1628 CA GLY A 112 -6.306 54.228 16.713 1.00 37.43 C ATOM 1629 C GLY A 112 -4.935 54.119 16.078 1.00 42.96 C ATOM 1630 O GLY A 112 -4.665 53.342 15.161 1.00 40.82 O ATOM 1631 HA3 GLY A 112 -6.158 54.167 17.791 1.00 0.00 H ATOM 1632 HA2 GLY A 112 -6.693 55.214 16.456 1.00 0.00 H ATOM 1633 H GLY A 112 -8.009 53.502 15.616 1.00 0.00 H ATOM 1634 N ASN A 113 -4.072 54.974 16.607 1.00 49.00 N ATOM 1635 CA ASN A 113 -2.708 55.050 16.155 1.00 50.97 C ATOM 1636 C ASN A 113 -1.774 55.283 17.318 1.00 55.50 C ATOM 1637 O ASN A 113 -1.716 56.362 17.895 1.00 76.93 O ATOM 1638 CB ASN A 113 -2.539 56.101 15.055 1.00 61.05 C ATOM 1639 CG ASN A 113 -1.123 56.153 14.527 1.00 66.21 C ATOM 1640 OD1 ASN A 113 -0.307 55.261 14.789 1.00 83.58 O ATOM 1641 ND2 ASN A 113 -0.824 57.220 13.791 1.00100.00 N ATOM 1642 HA ASN A 113 -2.442 54.091 15.710 1.00 0.00 H ATOM 1643 HB2 ASN A 113 -3.212 55.860 14.232 1.00 0.00 H ATOM 1644 HB3 ASN A 113 -2.799 57.079 15.461 1.00 0.00 H ATOM 1645 HD22 ASN A 113 -1.549 57.941 13.601 1.00 0.00 H ATOM 1646 HD21 ASN A 113 0.135 57.334 13.405 1.00 0.00 H ATOM 1647 H ASN A 113 -4.389 55.607 17.369 1.00 0.00 H ATOM 1648 N PRO A 114 -1.084 54.221 17.700 1.00 55.87 N ATOM 1649 CA PRO A 114 -1.147 52.942 17.013 1.00 59.40 C ATOM 1650 C PRO A 114 -2.463 52.157 17.150 1.00 39.11 C ATOM 1651 O PRO A 114 -3.227 52.307 18.093 1.00 31.95 O ATOM 1652 CB PRO A 114 -0.030 52.149 17.666 1.00 37.94 C ATOM 1653 CG PRO A 114 0.120 52.710 19.078 1.00 44.29 C ATOM 1654 CD PRO A 114 -0.586 54.060 19.092 1.00 46.59 C ATOM 1655 HA PRO A 114 -1.065 53.107 15.939 1.00 0.00 H ATOM 1656 HD3 PRO A 114 -1.413 54.057 19.802 1.00 0.00 H ATOM 1657 HD2 PRO A 114 0.110 54.859 19.350 1.00 0.00 H ATOM 1658 HG3 PRO A 114 1.175 52.835 19.322 1.00 0.00 H ATOM 1659 HG2 PRO A 114 -0.342 52.037 19.801 1.00 0.00 H ATOM 1660 HB2 PRO A 114 -0.290 51.091 17.705 1.00 0.00 H ATOM 1661 HB3 PRO A 114 0.898 52.274 17.109 1.00 0.00 H ATOM 1662 N TYR A 115 -2.691 51.295 16.173 1.00 27.03 N ATOM 1663 CA TYR A 115 -3.867 50.464 16.083 1.00 47.30 C ATOM 1664 C TYR A 115 -3.795 49.277 17.046 1.00 37.28 C ATOM 1665 O TYR A 115 -3.111 48.273 16.806 1.00 39.30 O ATOM 1666 CB TYR A 115 -3.853 49.982 14.638 1.00 29.74 C ATOM 1667 CG TYR A 115 -5.143 49.503 14.019 1.00 37.46 C ATOM 1668 CD1 TYR A 115 -6.262 50.334 14.041 1.00 28.87 C ATOM 1669 CD2 TYR A 115 -5.231 48.268 13.368 1.00 34.93 C ATOM 1670 CE1 TYR A 115 -7.450 49.922 13.440 1.00 30.08 C ATOM 1671 CE2 TYR A 115 -6.395 47.842 12.725 1.00 29.93 C ATOM 1672 CZ TYR A 115 -7.504 48.690 12.781 1.00 38.41 C ATOM 1673 OH TYR A 115 -8.678 48.326 12.182 1.00 35.29 O ATOM 1674 HA TYR A 115 -4.776 51.002 16.351 1.00 0.00 H ATOM 1675 HB3 TYR A 115 -3.144 49.156 14.583 1.00 0.00 H ATOM 1676 HB2 TYR A 115 -3.492 50.810 14.027 1.00 0.00 H ATOM 1677 HD2 TYR A 115 -4.359 47.614 13.362 1.00 0.00 H ATOM 1678 HE2 TYR A 115 -6.437 46.887 12.201 1.00 0.00 H ATOM 1679 HE1 TYR A 115 -8.334 50.558 13.484 1.00 0.00 H ATOM 1680 HD1 TYR A 115 -6.208 51.307 14.529 1.00 0.00 H ATOM 1681 HH TYR A 115 -9.352 49.038 12.319 1.00 0.00 H ATOM 1682 H TYR A 115 -1.977 51.211 15.422 1.00 0.00 H ATOM 1683 N VAL A 116 -4.531 49.403 18.143 1.00 33.86 N ATOM 1684 CA VAL A 116 -4.585 48.381 19.180 1.00 26.99 C ATOM 1685 C VAL A 116 -6.032 47.993 19.511 1.00 33.79 C ATOM 1686 O VAL A 116 -6.978 48.643 19.036 1.00 26.68 O ATOM 1687 CB VAL A 116 -3.809 48.922 20.358 1.00 26.28 C ATOM 1688 CG1 VAL A 116 -2.473 49.359 19.772 1.00 25.94 C ATOM 1689 CG2 VAL A 116 -4.508 50.194 20.852 1.00 27.59 C ATOM 1690 HA VAL A 116 -4.130 47.446 18.851 1.00 0.00 H ATOM 1691 HB VAL A 116 -3.721 48.195 21.165 1.00 0.00 H ATOM 1692 HG11 VAL A 116 -1.977 48.500 19.320 1.00 0.00 H ATOM 1693 HG12 VAL A 116 -2.643 50.123 19.013 1.00 0.00 H ATOM 1694 HG13 VAL A 116 -1.846 49.766 20.565 1.00 0.00 H ATOM 1695 HG21 VAL A 116 -4.530 50.930 20.049 1.00 0.00 H ATOM 1696 HG22 VAL A 116 -5.527 49.953 21.154 1.00 0.00 H ATOM 1697 HG23 VAL A 116 -3.962 50.600 21.703 1.00 0.00 H ATOM 1698 H VAL A 116 -5.094 50.269 18.268 1.00 0.00 H ATOM 1699 N PRO A 117 -6.209 46.926 20.296 1.00 27.27 N ATOM 1700 CA PRO A 117 -7.545 46.431 20.661 1.00 28.19 C ATOM 1701 C PRO A 117 -8.300 47.363 21.601 1.00 36.62 C ATOM 1702 O PRO A 117 -7.733 47.819 22.590 1.00 22.28 O ATOM 1703 CB PRO A 117 -7.305 45.093 21.388 1.00 26.06 C ATOM 1704 CG PRO A 117 -5.836 44.713 21.191 1.00 23.34 C ATOM 1705 CD PRO A 117 -5.132 45.991 20.734 1.00 28.96 C ATOM 1706 HA PRO A 117 -8.154 46.345 19.761 1.00 0.00 H ATOM 1707 HD3 PRO A 117 -4.566 46.426 21.558 1.00 0.00 H ATOM 1708 HD2 PRO A 117 -4.458 45.776 19.905 1.00 0.00 H ATOM 1709 HG3 PRO A 117 -5.743 43.936 20.432 1.00 0.00 H ATOM 1710 HG2 PRO A 117 -5.407 44.357 22.128 1.00 0.00 H ATOM 1711 HB2 PRO A 117 -7.521 45.204 22.451 1.00 0.00 H ATOM 1712 HB3 PRO A 117 -7.948 44.321 20.966 1.00 0.00 H ATOM 1713 N VAL A 118 -9.586 47.631 21.333 1.00 25.96 N ATOM 1714 CA VAL A 118 -10.368 48.502 22.222 1.00 23.62 C ATOM 1715 C VAL A 118 -11.650 47.844 22.733 1.00 42.97 C ATOM 1716 O VAL A 118 -12.326 48.394 23.606 1.00 25.88 O ATOM 1717 CB VAL A 118 -10.703 49.854 21.615 1.00 28.09 C ATOM 1718 CG1 VAL A 118 -9.404 50.604 21.414 1.00 31.40 C ATOM 1719 CG2 VAL A 118 -11.362 49.644 20.247 1.00 21.16 C ATOM 1720 HA VAL A 118 -9.702 48.670 23.069 1.00 0.00 H ATOM 1721 HB VAL A 118 -11.379 50.407 22.267 1.00 0.00 H ATOM 1722 HG11 VAL A 118 -8.908 50.733 22.376 1.00 0.00 H ATOM 1723 HG12 VAL A 118 -8.758 50.037 20.744 1.00 0.00 H ATOM 1724 HG13 VAL A 118 -9.614 51.581 20.978 1.00 0.00 H ATOM 1725 HG21 VAL A 118 -10.674 49.109 19.592 1.00 0.00 H ATOM 1726 HG22 VAL A 118 -12.275 49.062 20.371 1.00 0.00 H ATOM 1727 HG23 VAL A 118 -11.604 50.612 19.809 1.00 0.00 H ATOM 1728 H VAL A 118 -10.034 47.219 20.489 1.00 0.00 H ATOM 1729 N HIS A 119 -12.001 46.675 22.186 1.00 19.58 N ATOM 1730 CA HIS A 119 -13.193 45.943 22.630 1.00 23.81 C ATOM 1731 C HIS A 119 -13.013 44.436 22.429 1.00 20.87 C ATOM 1732 O HIS A 119 -12.321 44.069 21.496 1.00 26.14 O ATOM 1733 CB HIS A 119 -14.488 46.388 21.890 1.00 25.99 C ATOM 1734 CG HIS A 119 -14.879 47.813 22.143 1.00 46.99 C ATOM 1735 ND1 HIS A 119 -15.301 48.243 23.392 1.00 41.31 N ATOM 1736 CD2 HIS A 119 -14.917 48.887 21.304 1.00 42.08 C ATOM 1737 CE1 HIS A 119 -15.568 49.541 23.296 1.00 44.64 C ATOM 1738 NE2 HIS A 119 -15.341 49.963 22.060 1.00 39.83 N ATOM 1739 HA HIS A 119 -13.307 46.176 23.689 1.00 0.00 H ATOM 1740 HB2 HIS A 119 -14.331 46.261 20.819 1.00 0.00 H ATOM 1741 HB3 HIS A 119 -15.306 45.745 22.215 1.00 0.00 H ATOM 1742 HD2 HIS A 119 -14.663 48.895 20.244 1.00 0.00 H ATOM 1743 HE1 HIS A 119 -15.922 50.168 24.114 1.00 0.00 H ATOM 1744 H HIS A 119 -11.414 46.274 21.427 1.00 0.00 H ATOM 1745 N PHE A 120 -13.645 43.611 23.269 1.00 21.13 N ATOM 1746 CA PHE A 120 -13.630 42.127 23.209 1.00 20.72 C ATOM 1747 C PHE A 120 -14.985 41.670 22.677 1.00 29.01 C ATOM 1748 O PHE A 120 -15.971 41.719 23.388 1.00 24.44 O ATOM 1749 CB PHE A 120 -13.318 41.437 24.576 1.00 16.94 C ATOM 1750 CG PHE A 120 -12.912 39.966 24.439 1.00 28.76 C ATOM 1751 CD1 PHE A 120 -13.910 38.998 24.291 1.00 28.15 C ATOM 1752 CD2 PHE A 120 -11.578 39.545 24.473 1.00 23.03 C ATOM 1753 CE1 PHE A 120 -13.606 37.645 24.142 1.00 27.36 C ATOM 1754 CE2 PHE A 120 -11.239 38.199 24.313 1.00 23.94 C ATOM 1755 CZ PHE A 120 -12.261 37.266 24.134 1.00 29.57 C ATOM 1756 HA PHE A 120 -12.816 41.826 22.549 1.00 0.00 H ATOM 1757 HB2 PHE A 120 -12.503 41.977 25.057 1.00 0.00 H ATOM 1758 HB3 PHE A 120 -14.208 41.493 25.202 1.00 0.00 H ATOM 1759 HD2 PHE A 120 -10.789 40.281 24.627 1.00 0.00 H ATOM 1760 HE2 PHE A 120 -10.196 37.884 24.328 1.00 0.00 H ATOM 1761 HZ PHE A 120 -12.004 36.217 23.984 1.00 0.00 H ATOM 1762 HE1 PHE A 120 -14.397 36.903 24.035 1.00 0.00 H ATOM 1763 HD1 PHE A 120 -14.955 39.309 24.292 1.00 0.00 H ATOM 1764 H PHE A 120 -14.198 44.048 24.034 1.00 0.00 H ATOM 1765 N ASP A 121 -15.049 41.252 21.426 1.00 21.22 N ATOM 1766 CA ASP A 121 -16.290 40.855 20.780 1.00 26.74 C ATOM 1767 C ASP A 121 -16.821 39.461 21.122 1.00 45.04 C ATOM 1768 O ASP A 121 -18.011 39.296 21.376 1.00 25.84 O ATOM 1769 CB ASP A 121 -16.198 41.052 19.236 1.00 21.47 C ATOM 1770 CG ASP A 121 -17.521 41.253 18.509 1.00 35.62 C ATOM 1771 OD1 ASP A 121 -18.174 42.298 18.907 1.00 28.09 O ATOM 1772 OD2 ASP A 121 -17.956 40.544 17.630 1.00 29.56 O ATOM 1773 HA ASP A 121 -17.034 41.529 21.205 1.00 0.00 H ATOM 1774 HB2 ASP A 121 -15.577 41.928 19.048 1.00 0.00 H ATOM 1775 HB3 ASP A 121 -15.716 40.169 18.815 1.00 0.00 H ATOM 1776 H ASP A 121 -14.168 41.204 20.875 1.00 0.00 H ATOM 1777 N ALA A 122 -15.960 38.446 21.108 1.00 22.48 N ATOM 1778 CA ALA A 122 -16.376 37.086 21.374 1.00 27.37 C ATOM 1779 C ALA A 122 -15.186 36.142 21.287 1.00 35.78 C ATOM 1780 O ALA A 122 -14.101 36.566 20.928 1.00 20.79 O ATOM 1781 CB ALA A 122 -17.313 36.709 20.229 1.00 21.44 C ATOM 1782 HA ALA A 122 -16.831 37.014 22.362 1.00 0.00 H ATOM 1783 HB1 ALA A 122 -18.164 37.390 20.219 1.00 0.00 H ATOM 1784 HB2 ALA A 122 -16.776 36.782 19.283 1.00 0.00 H ATOM 1785 HB3 ALA A 122 -17.665 35.687 20.371 1.00 0.00 H ATOM 1786 H ALA A 122 -14.959 38.636 20.900 1.00 0.00 H ATOM 1787 N SER A 123 -15.404 34.864 21.596 1.00 20.03 N ATOM 1788 CA SER A 123 -14.379 33.823 21.491 1.00 23.35 C ATOM 1789 C SER A 123 -14.953 32.733 20.602 1.00 32.94 C ATOM 1790 O SER A 123 -16.171 32.620 20.524 1.00 29.13 O ATOM 1791 CB SER A 123 -13.901 33.294 22.832 1.00 22.83 C ATOM 1792 OG SER A 123 -14.852 32.421 23.425 1.00 31.15 O ATOM 1793 HA SER A 123 -13.474 34.244 21.053 1.00 0.00 H ATOM 1794 HB2 SER A 123 -13.729 34.136 23.502 1.00 0.00 H ATOM 1795 HB3 SER A 123 -12.967 32.751 22.685 1.00 0.00 H ATOM 1796 HG SER A 123 -15.702 32.909 23.568 1.00 0.00 H ATOM 1797 H SER A 123 -16.351 34.592 21.929 1.00 0.00 H ATOM 1798 N VAL A 124 -14.120 31.972 19.886 1.00 27.99 N ATOM 1799 CA VAL A 124 -14.620 30.912 19.003 1.00 31.21 C ATOM 1800 C VAL A 124 -13.894 29.604 19.164 1.00 42.30 C ATOM 1801 O VAL A 124 -12.665 29.646 18.952 1.00 35.60 O ATOM 1802 CB VAL A 124 -14.593 31.164 17.497 1.00 37.82 C ATOM 1803 CG1 VAL A 124 -15.851 30.528 16.908 1.00 48.21 C ATOM 1804 CG2 VAL A 124 -14.566 32.639 17.201 1.00 57.66 C ATOM 1805 HA VAL A 124 -15.655 30.890 19.344 1.00 0.00 H ATOM 1806 OXT VAL A 124 -14.609 28.599 19.412 1.00 39.10 O ATOM 1807 HB VAL A 124 -13.696 30.729 17.057 1.00 0.00 H ATOM 1808 HG11 VAL A 124 -15.848 29.458 17.118 1.00 0.00 H ATOM 1809 HG12 VAL A 124 -16.732 30.985 17.357 1.00 0.00 H ATOM 1810 HG13 VAL A 124 -15.867 30.688 15.830 1.00 0.00 H ATOM 1811 HG21 VAL A 124 -15.456 33.109 17.620 1.00 0.00 H ATOM 1812 HG22 VAL A 124 -13.676 33.082 17.647 1.00 0.00 H ATOM 1813 HG23 VAL A 124 -14.547 32.791 16.122 1.00 0.00 H ATOM 1814 H VAL A 124 -13.095 32.135 19.956 1.00 0.00 H TER 1815 VAL A 124 HETATM 1816 O HOH 1 -2.876 34.051 16.533 1.00 33.98 O HETATM 1817 O HOH 2 -1.360 40.941 32.825 1.00 32.58 O HETATM 1818 O HOH 3 -6.201 41.944 39.515 1.00 34.95 O HETATM 1819 O HOH 4 -12.218 49.824 25.733 1.00 37.99 O HETATM 1820 O HOH 5 -1.269 39.886 35.624 1.00 47.00 O HETATM 1821 O HOH 6 -15.816 34.473 25.229 1.00 45.10 O HETATM 1822 O HOH 7 -22.341 41.851 28.659 1.00 38.61 O HETATM 1823 O HOH 8 -4.578 35.883 38.178 1.00 49.64 O HETATM 1824 O HOH 9 -11.396 26.243 19.622 1.00 60.84 O HETATM 1825 O HOH 10 -4.694 50.039 31.969 1.00 62.31 O HETATM 1826 O HOH 11 -7.491 45.638 43.520 1.00 42.04 O HETATM 1827 O HOH 12 -10.539 41.711 4.512 1.00 60.42 O HETATM 1828 O HOH 13 -18.220 30.681 32.598 1.00 37.13 O HETATM 1829 O HOH 14 4.383 41.876 25.860 1.00 44.72 O HETATM 1830 O HOH 15 -2.604 48.204 24.318 1.00 30.54 O HETATM 1831 O HOH 16 -17.638 44.867 22.781 1.00 45.41 O HETATM 1832 O HOH 17 -20.717 42.093 30.598 1.00 36.51 O HETATM 1833 O HOH 18 -0.485 33.465 21.693 1.00 37.64 O HETATM 1834 O HOH 19 -16.899 44.630 20.190 1.00 35.19 O HETATM 1835 O HOH 20 -1.425 36.045 39.588 1.00 48.26 O HETATM 1836 O HOH 21 -18.019 34.207 23.030 1.00 46.60 O HETATM 1837 O HOH 22 -3.568 27.510 23.269 1.00 59.82 O HETATM 1838 O HOH 23 -4.467 45.410 9.970 1.00 57.41 O HETATM 1839 O HOH 24 -15.926 25.853 37.137 1.00 48.43 O HETATM 1840 O HOH 25 -14.501 45.161 42.301 1.00 57.90 O HETATM 1841 O HOH 26 0.093 29.794 35.822 1.00 57.34 O HETATM 1842 O HOH 27 -15.876 33.030 13.299 1.00 46.57 O HETATM 1843 O HOH 28 -16.753 38.468 43.040 1.00 50.84 O HETATM 1844 O HOH 29 -15.165 49.061 27.757 1.00 85.76 O HETATM 1845 O HOH 30 -14.794 50.047 17.544 1.00 46.82 O HETATM 1846 O HOH 31 -10.912 23.993 42.559 1.00 67.15 O HETATM 1847 O HOH 32 -20.590 38.164 18.809 1.00 59.77 O HETATM 1848 O HOH 33 -3.739 53.868 19.909 1.00 44.02 O HETATM 1849 O HOH 34 -7.396 40.095 6.631 1.00 58.93 O HETATM 1850 O HOH 35 -3.546 39.747 37.350 1.00 51.28 O HETATM 1851 O HOH 36 -18.737 32.381 19.082 1.00 56.57 O HETATM 1852 O HOH 37 -6.758 25.557 28.802 1.00 56.06 O HETATM 1853 O HOH 38 -17.475 46.467 29.125 1.00 73.92 O HETATM 1854 O HOH 39 -0.877 36.615 17.999 1.00 29.60 O HETATM 1855 O HOH 40 1.657 31.128 23.574 1.00 63.48 O HETATM 1856 O HOH 41 -8.509 54.193 14.304 1.00 72.53 O HETATM 1857 O HOH 42 -12.742 46.525 26.711 1.00 57.19 O HETATM 1858 O HOH 43 3.116 40.748 28.626 1.00 56.44 O HETATM 1859 O HOH 44 -2.139 38.668 7.891 1.00 61.97 O HETATM 1860 O HOH 45 -0.714 33.833 18.689 1.00 30.31 O HETATM 1861 O HOH 46 2.622 43.394 18.552 1.00 53.03 O HETATM 1862 O HOH 47 -9.523 50.219 39.338 1.00 52.50 O HETATM 1863 O HOH 48 3.454 45.846 23.574 1.00 79.15 O HETATM 1864 O HOH 49 -14.432 52.977 21.673 1.00 79.47 O HETATM 1865 O HOH 50 -6.936 60.857 29.429 1.00 74.30 O HETATM 1866 O HOH 51 -12.671 25.164 34.199 1.00 56.25 O HETATM 1867 O HOH 52 -20.619 41.851 21.031 1.00 75.78 O HETATM 1868 O HOH 53 -18.487 33.686 15.273 1.00 44.52 O HETATM 1869 O HOH 54 -17.087 27.807 38.907 1.00 47.96 O HETATM 1870 O HOH 55 -1.542 29.216 24.713 1.00 66.34 O HETATM 1871 O HOH 56 -10.729 23.882 24.936 1.00 65.02 O HETATM 1872 O HOH 57 5.162 44.656 25.138 1.00 55.13 O HETATM 1873 O HOH 58 -26.285 43.670 14.211 1.00 57.77 O HETATM 1874 O HOH 59 -25.864 44.135 39.643 1.00 59.24 O HETATM 1875 O HOH 60 -5.535 56.263 30.005 1.00 52.77 O HETATM 1876 O HOH 61 -26.965 41.614 36.856 1.00 67.34 O HETATM 1877 O HOH 62 -5.331 47.765 24.148 1.00 33.98 O HETATM 1878 O HOH 63 0.840 27.442 22.697 1.00 65.43 O HETATM 1879 O HOH 64 -20.773 35.969 22.275 1.00 71.87 O HETATM 1880 O HOH 65 -10.177 24.786 35.944 1.00 68.48 O HETATM 1881 O HOH 66 -22.042 40.548 24.563 1.00 64.16 O HETATM 1882 O HOH 67 -3.853 30.525 38.209 1.00 76.85 O HETATM 1883 O HOH 68 -21.148 45.203 30.647 1.00 61.33 O HETATM 1884 O HOH 69 7.360 40.496 24.594 1.00 93.67 O HETATM 1885 O HOH 70 -7.572 54.529 22.887 1.00 55.25 O HETATM 1886 O HOH 71 -18.570 49.781 20.770 1.00100.00 O HETATM 1887 O HOH 72 -9.867 48.518 36.681 1.00 66.27 O HETATM 1888 O HOH 73 -4.914 33.385 40.208 1.00 68.75 O HETATM 1889 O HOH 74 7.468 44.937 23.132 1.00100.00 O HETATM 1890 O HOH 75 -17.545 30.399 22.326 1.00 61.75 O HETATM 1891 O HOH 76 -27.354 29.702 39.380 1.00 79.67 O HETATM 1892 O HOH 77 1.926 34.559 24.718 1.00 33.31 O HETATM 1893 O HOH 78 -19.116 47.153 37.167 1.00 83.00 O HETATM 1894 O HOH 79 -15.768 31.787 40.177 1.00 34.90 O HETATM 1895 O HOH 80 -16.759 48.129 16.203 1.00 46.57 O HETATM 1896 O HOH 81 -9.143 56.969 23.758 1.00 74.41 O HETATM 1897 O HOH 82 4.082 44.856 20.675 1.00 76.68 O HETATM 1898 O HOH 83 -17.527 46.642 18.306 1.00 34.67 O HETATM 1899 O HOH 84 -20.053 44.780 18.035 1.00 33.39 O HETATM 1900 O HOH 85 3.903 38.240 18.809 1.00 84.78 O HETATM 1901 O HOH 86 -6.655 53.439 20.149 1.00 53.72 O HETATM 1902 O HOH 87 -3.871 39.984 39.708 1.00 46.37 O HETATM 1903 O HOH 88 -0.683 44.438 14.905 1.00 57.01 O HETATM 1904 O HOH 89 -10.722 54.977 20.975 1.00 78.15 O HETATM 1905 O HOH 90 -1.576 27.599 36.526 1.00 77.97 O HETATM 1906 O HOH 91 -14.432 36.826 46.389 1.00 70.37 O HETATM 1907 O HOH 92 -13.818 29.616 28.199 1.00 79.79 O HETATM 1908 O HOH 93 -20.032 34.168 17.681 1.00 72.64 O HETATM 1909 O HOH 94 -2.384 53.275 22.850 1.00 69.87 O HETATM 1910 N1 U A 3 -17.478 40.551 26.994 1.00 -0.16 N HETATM 1911 C1' U A 3 -17.608 41.807 27.731 1.00 0.21 C HETATM 1912 C2' U A 3 -16.695 42.920 27.249 1.00 0.14 C HETATM 1913 C3' U A 3 -17.648 43.780 26.407 1.00 0.15 C HETATM 1914 C4' U A 3 -19.013 43.595 27.075 1.00 0.12 C HETATM 1915 O4' U A 3 -18.956 42.255 27.655 1.00 -0.34 O HETATM 1916 C5' U A 3 -20.182 43.731 26.089 1.00 0.07 C HETATM 1917 O5' U A 3 -21.453 43.444 26.672 1.00 -0.39 O HETATM 1918 H4 U A 3 -21.456 42.552 26.998 1.00 0.21 H HETATM 1919 H5 U A 3 -20.016 43.034 25.254 1.00 0.06 H HETATM 1920 H6 U A 3 -20.198 44.763 25.708 1.00 0.06 H HETATM 1921 H7 U A 3 -19.142 44.344 27.870 1.00 0.07 H HETATM 1922 O3' U A 3 -17.288 45.161 26.459 1.00 -0.27 O HETATM 1923 P U A 3 -15.883 45.662 25.882 1.00 0.20 P HETATM 1924 O3P U A 3 -16.066 47.129 25.742 1.00 -0.55 O HETATM 1925 O2P U A 3 -14.821 45.280 26.837 1.00 -0.55 O HETATM 1926 O1P U A 3 -15.657 44.948 24.601 1.00 -0.55 O HETATM 1927 H8 U A 3 -17.664 43.437 25.362 1.00 0.07 H HETATM 1928 O2' U A 3 -16.211 43.596 28.406 1.00 -0.38 O HETATM 1929 H10 U A 3 -15.739 44.376 28.141 1.00 0.21 H HETATM 1930 H9 U A 3 -15.855 42.545 26.645 1.00 0.07 H HETATM 1931 H11 U A 3 -17.361 41.603 28.783 1.00 0.10 H HETATM 1932 C6 U A 3 -18.440 40.246 26.059 1.00 0.06 C HETATM 1933 C5 U A 3 -18.428 39.083 25.380 1.00 0.01 C HETATM 1934 C4 U A 3 -17.388 38.109 25.633 1.00 0.18 C HETATM 1935 N3 U A 3 -16.488 38.479 26.618 1.00 -0.19 N HETATM 1936 C2 U A 3 -16.466 39.667 27.305 1.00 0.33 C HETATM 1937 O2 U A 3 -15.616 39.894 28.138 1.00 -0.38 O HETATM 1938 H1 U A 3 -15.781 37.812 26.853 1.00 0.23 H HETATM 1939 O4 U A 3 -17.260 37.022 25.057 1.00 -0.41 O HETATM 1940 H2 U A 3 -19.201 38.876 24.641 1.00 0.03 H HETATM 1941 H3 U A 3 -19.234 40.965 25.862 1.00 0.12 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 341 340 1210 CONECT 578 577 1373 CONECT 846 845 1607 CONECT 946 945 1032 CONECT 1032 946 1031 CONECT 1210 341 1209 CONECT 1373 578 1372 CONECT 1607 846 1606 CONECT 1910 1911 1932 1936 CONECT 1911 1910 1912 1915 1931 CONECT 1912 1911 1913 1928 1930 CONECT 1913 1912 1914 1922 1927 CONECT 1914 1913 1915 1916 1921 CONECT 1915 1911 1914 CONECT 1916 1914 1917 1919 1920 CONECT 1917 1916 1918 CONECT 1918 1917 CONECT 1919 1916 CONECT 1920 1916 CONECT 1921 1914 CONECT 1922 1913 1923 CONECT 1923 1922 1924 1925 1926 CONECT 1924 1923 CONECT 1925 1923 CONECT 1926 1923 CONECT 1927 1913 CONECT 1928 1912 1929 CONECT 1929 1928 CONECT 1930 1912 CONECT 1931 1911 CONECT 1932 1910 1933 1941 CONECT 1933 1932 1934 1940 CONECT 1934 1933 1935 1939 CONECT 1935 1934 1936 1938 CONECT 1936 1910 1935 1937 CONECT 1937 1936 CONECT 1938 1935 CONECT 1939 1934 CONECT 1940 1933 CONECT 1941 1932 MASTER 0 0 0 0 0 0 0 0 1940 1 44 10 END
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Related entries of code: 4rsk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
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1j80
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1jn4
RCSB PDB
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RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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1o0m
RCSB PDB
PDBbind
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1o0n
RCSB PDB
PDBbind
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1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
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1w4o
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
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RCSB PDB
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1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
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2g8r
RCSB PDB
PDBbind
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2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
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3d7b
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PDBbind
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3d8z
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124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
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124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
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RCSB PDB
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124aa, >3LXO_1|Chain... at 99%
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PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
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4wyp
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RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
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RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
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RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
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124aa, >6PVW_1|Chains... at 99%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1n3z
RCSB PDB
PDBbind
U3P
1o0n
RCSB PDB
PDBbind
U3P
4wyz
RCSB PDB
PDBbind
U3P
Entry Information
PDB ID
4rsk
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease a
Ligand Name
U3P
EC.Number
E.C.3.1.27.5
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=47.4uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v37 pp. 17386-401, 1998
Ligand Properties
Formula
C
9
H
1
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/t4-,6-,7-,8-/m1/s1
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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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