Browse entries in the PDBbind-CN Database
HEADER 5A2I_COMPLEX COMPND 5A2I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 H 116 GLN VAL GLN LEU GLN GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 H 116 PRO GLY GLY SER MET LYS LEU SER CYS VAL ALA SER GLY SEQRES 3 H 116 PHE THR PHE SER ASN TYR TRP MET ASN TRP VAL ARG GLN SEQRES 4 H 116 SER PRO GLU LYS GLY LEU GLU TRP VAL ALA GLU ILE ARG SEQRES 5 H 116 LEU LYS SER ASN ASN TYR ALA THR HIS TYR ALA GLU SER SEQRES 6 H 116 VAL LYS GLY ARG PHE THR ILE SER ARG ASP ASP SER LYS SEQRES 7 H 116 SER SER VAL TYR LEU GLN MET ASN ASN LEU ARG ALA GLU SEQRES 8 H 116 ASP THR GLY ILE TYR TYR CYS THR GLY VAL GLY GLN PHE SEQRES 9 H 116 ALA TYR TRP GLY GLN GLY THR THR VAL THR VAL SER SEQRES 1 H 108 VAL VAL THR GLN GLU SER ALA LEU THR THR SER PRO GLY SEQRES 2 H 108 GLU THR VAL THR LEU THR CYS ARG SER SER THR GLY ALA SEQRES 3 H 108 VAL THR THR SER ASN TYR ALA ASN TRP VAL GLN GLU LYS SEQRES 4 H 108 PRO ASP HIS LEU PHE THR GLY LEU ILE GLY GLY THR ASN SEQRES 5 H 108 ASN ARG ALA PRO GLY VAL PRO ALA ARG PHE SER GLY SER SEQRES 6 H 108 LEU ILE GLY ASP LYS ALA ALA LEU THR ILE THR GLY ALA SEQRES 7 H 108 GLN THR GLU ASP GLU ALA ILE TYR PHE CYS ALA LEU TRP SEQRES 8 H 108 TYR SER ASN HIS TRP VAL PHE GLY GLY GLY THR LYS LEU SEQRES 9 H 108 THR VAL LEU GLY HET ALA A 286 88 SSBOND 1 CYS H 22 CYS H 92 SSBOND 2 CYS H 1023 CYS H 1088 ATOM 1 N GLN H 1 29.385 -4.690 16.113 1.00 69.10 N ATOM 2 CA GLN H 1 27.924 -4.453 16.258 1.00 69.82 C ATOM 3 C GLN H 1 27.664 -3.036 16.790 1.00 70.77 C ATOM 4 O GLN H 1 28.354 -2.539 17.696 1.00 78.81 O ATOM 5 CB GLN H 1 27.266 -5.515 17.171 1.00 61.40 C ATOM 6 HN3 GLN H 1 29.846 -4.585 17.039 1.00 0.00 H ATOM 7 HN2 GLN H 1 29.783 -3.998 15.446 1.00 0.00 H ATOM 8 HN1 GLN H 1 29.545 -5.652 15.752 1.00 0.00 H ATOM 9 N VAL H 2 26.695 -2.376 16.169 1.00 69.66 N ATOM 10 CA VAL H 2 26.007 -1.240 16.768 1.00 61.64 C ATOM 11 C VAL H 2 25.202 -1.785 17.951 1.00 57.64 C ATOM 12 O VAL H 2 24.867 -2.980 17.995 1.00 52.22 O ATOM 13 CB VAL H 2 25.096 -0.561 15.724 1.00 60.91 C ATOM 14 CG1 VAL H 2 23.806 -0.017 16.334 1.00 62.57 C ATOM 15 CG2 VAL H 2 25.864 0.535 15.003 1.00 62.64 C ATOM 16 H VAL H 2 26.415 -2.682 15.215 1.00 0.00 H ATOM 17 N GLN H 3 24.920 -0.934 18.931 1.00 54.09 N ATOM 18 CA GLN H 3 24.084 -1.349 20.052 1.00 54.95 C ATOM 19 C GLN H 3 23.244 -0.174 20.599 1.00 50.43 C ATOM 20 O GLN H 3 23.754 0.929 20.776 1.00 48.97 O ATOM 21 CB GLN H 3 24.948 -1.969 21.153 1.00 64.89 C ATOM 22 CG GLN H 3 24.340 -3.215 21.787 1.00 77.19 C ATOM 23 CD GLN H 3 24.429 -3.208 23.310 1.00 89.51 C ATOM 24 OE1 GLN H 3 25.523 -3.187 23.880 1.00 95.59 O ATOM 25 NE2 GLN H 3 23.271 -3.227 23.977 1.00 90.94 N ATOM 26 HE22 GLN H 3 22.371 -3.244 23.456 1.00 0.00 H ATOM 27 HE21 GLN H 3 23.270 -3.224 25.017 1.00 0.00 H ATOM 28 H GLN H 3 25.298 0.034 18.899 1.00 0.00 H ATOM 29 N LEU H 4 21.943 -0.422 20.787 1.00 41.94 N ATOM 30 CA LEU H 4 21.065 0.452 21.504 1.00 35.44 C ATOM 31 C LEU H 4 20.489 -0.383 22.619 1.00 37.89 C ATOM 32 O LEU H 4 20.058 -1.520 22.392 1.00 33.55 O ATOM 33 CB LEU H 4 19.943 0.960 20.607 1.00 38.75 C ATOM 34 CG LEU H 4 20.248 1.903 19.437 1.00 40.16 C ATOM 35 CD1 LEU H 4 19.032 1.996 18.502 1.00 40.88 C ATOM 36 CD2 LEU H 4 20.589 3.289 19.940 1.00 40.88 C ATOM 37 H LEU H 4 21.548 -1.298 20.390 1.00 0.00 H ATOM 38 N GLN H 5 20.487 0.168 23.835 1.00 36.03 N ATOM 39 CA GLN H 5 20.087 -0.581 25.004 1.00 37.66 C ATOM 40 C GLN H 5 19.204 0.309 25.848 1.00 39.12 C ATOM 41 O GLN H 5 19.672 1.351 26.312 1.00 33.09 O ATOM 42 CB GLN H 5 21.302 -1.040 25.819 1.00 41.85 C ATOM 43 CG GLN H 5 20.896 -1.537 27.193 1.00 50.90 C ATOM 44 CD GLN H 5 21.870 -2.527 27.813 1.00 59.88 C ATOM 45 OE1 GLN H 5 21.455 -3.584 28.323 1.00 63.19 O ATOM 46 NE2 GLN H 5 23.166 -2.190 27.790 1.00 58.26 N ATOM 47 HE22 GLN H 5 23.463 -1.295 27.352 1.00 0.00 H ATOM 48 HE21 GLN H 5 23.876 -2.823 28.211 1.00 0.00 H ATOM 49 H GLN H 5 20.780 1.160 23.943 1.00 0.00 H ATOM 50 N GLU H 6 17.937 -0.099 25.987 1.00 35.26 N ATOM 51 CA GLU H 6 16.974 0.644 26.748 1.00 39.33 C ATOM 52 C GLU H 6 16.974 0.201 28.197 1.00 39.05 C ATOM 53 O GLU H 6 17.319 -0.954 28.536 1.00 40.16 O ATOM 54 CB GLU H 6 15.543 0.454 26.219 1.00 40.21 C ATOM 55 CG GLU H 6 15.306 0.930 24.811 1.00 41.88 C ATOM 56 CD GLU H 6 15.543 -0.148 23.789 1.00 41.73 C ATOM 57 OE1 GLU H 6 16.255 -1.144 24.064 1.00 43.14 O ATOM 58 OE2 GLU H 6 15.021 0.009 22.687 1.00 39.64 O ATOM 59 H GLU H 6 17.641 -0.984 25.528 1.00 0.00 H ATOM 60 N SER H 7 16.550 1.114 29.063 1.00 35.46 N ATOM 61 CA SER H 7 16.306 0.728 30.451 1.00 34.93 C ATOM 62 C SER H 7 15.248 1.592 31.078 1.00 32.65 C ATOM 63 O SER H 7 14.849 2.632 30.510 1.00 29.25 O ATOM 64 CB SER H 7 17.601 0.788 31.250 1.00 34.97 C ATOM 65 OG SER H 7 18.180 2.059 31.185 1.00 36.09 O ATOM 66 HG SER H 7 19.018 2.066 31.713 1.00 0.00 H ATOM 67 H SER H 7 16.393 2.095 28.756 1.00 0.00 H ATOM 68 N GLY H 8 14.779 1.152 32.240 1.00 30.49 N ATOM 69 CA GLY H 8 13.939 2.007 33.093 1.00 31.33 C ATOM 70 C GLY H 8 12.492 1.531 33.110 1.00 34.46 C ATOM 71 O GLY H 8 11.648 2.092 33.818 1.00 33.65 O ATOM 72 H GLY H 8 15.009 0.187 32.552 1.00 0.00 H ATOM 73 N GLY H 9 12.192 0.501 32.330 1.00 32.26 N ATOM 74 CA GLY H 9 10.838 -0.039 32.323 1.00 35.39 C ATOM 75 C GLY H 9 10.512 -0.785 33.605 1.00 34.93 C ATOM 76 O GLY H 9 11.341 -0.903 34.472 1.00 36.37 O ATOM 77 H GLY H 9 12.923 0.078 31.723 1.00 0.00 H ATOM 78 N GLY H 10 9.279 -1.239 33.738 1.00 33.74 N ATOM 79 CA GLY H 10 8.885 -2.005 34.900 1.00 32.58 C ATOM 80 C GLY H 10 7.375 -2.013 35.065 1.00 32.03 C ATOM 81 O GLY H 10 6.671 -2.220 34.103 1.00 30.28 O ATOM 82 H GLY H 10 8.579 -1.042 32.994 1.00 0.00 H ATOM 83 N LEU H 11 6.913 -1.837 36.296 1.00 29.09 N ATOM 84 CA LEU H 11 5.520 -1.943 36.668 1.00 30.09 C ATOM 85 C LEU H 11 5.116 -0.603 37.278 1.00 30.20 C ATOM 86 O LEU H 11 5.768 -0.116 38.189 1.00 29.94 O ATOM 87 CB LEU H 11 5.382 -3.009 37.720 1.00 31.28 C ATOM 88 CG LEU H 11 4.038 -3.712 37.821 1.00 35.97 C ATOM 89 CD1 LEU H 11 3.938 -4.373 39.186 1.00 36.46 C ATOM 90 CD2 LEU H 11 2.811 -2.865 37.509 1.00 35.75 C ATOM 91 H LEU H 11 7.599 -1.607 37.043 1.00 0.00 H ATOM 92 N VAL H 12 4.030 -0.044 36.797 1.00 30.04 N ATOM 93 CA VAL H 12 3.513 1.235 37.259 1.00 33.60 C ATOM 94 C VAL H 12 1.980 1.179 37.388 1.00 29.69 C ATOM 95 O VAL H 12 1.293 0.456 36.699 1.00 30.79 O ATOM 96 CB VAL H 12 3.946 2.350 36.261 1.00 36.49 C ATOM 97 CG1 VAL H 12 3.662 3.744 36.756 1.00 38.95 C ATOM 98 CG2 VAL H 12 5.430 2.261 36.046 1.00 44.59 C ATOM 99 H VAL H 12 3.511 -0.542 36.046 1.00 0.00 H ATOM 100 N GLN H 13 1.459 2.018 38.254 1.00 28.87 N ATOM 101 CA GLN H 13 0.055 2.105 38.554 1.00 32.02 C ATOM 102 C GLN H 13 -0.521 3.168 37.625 1.00 31.05 C ATOM 103 O GLN H 13 0.175 4.075 37.288 1.00 29.35 O ATOM 104 CB GLN H 13 -0.025 2.549 40.027 1.00 37.53 C ATOM 105 CG GLN H 13 -1.092 1.929 40.835 1.00 44.43 C ATOM 106 CD GLN H 13 -0.960 2.215 42.323 1.00 43.11 C ATOM 107 OE1 GLN H 13 0.150 2.342 42.944 1.00 41.00 O ATOM 108 NE2 GLN H 13 -2.095 2.295 42.913 1.00 41.48 N ATOM 109 HE22 GLN H 13 -2.974 2.185 42.367 1.00 0.00 H ATOM 110 HE21 GLN H 13 -2.137 2.470 43.937 1.00 0.00 H ATOM 111 H GLN H 13 2.104 2.662 38.756 1.00 0.00 H ATOM 112 N PRO H 14 -1.791 3.047 37.178 1.00 30.34 N ATOM 113 CA PRO H 14 -2.322 4.105 36.391 1.00 30.59 C ATOM 114 C PRO H 14 -2.202 5.428 37.109 1.00 30.81 C ATOM 115 O PRO H 14 -2.511 5.477 38.259 1.00 30.47 O ATOM 116 CB PRO H 14 -3.784 3.709 36.237 1.00 34.62 C ATOM 117 CG PRO H 14 -3.736 2.214 36.205 1.00 35.60 C ATOM 118 CD PRO H 14 -2.698 1.891 37.234 1.00 33.27 C ATOM 119 N GLY H 15 -1.798 6.494 36.414 1.00 31.70 N ATOM 120 CA GLY H 15 -1.674 7.848 36.989 1.00 31.19 C ATOM 121 C GLY H 15 -0.196 8.079 37.280 1.00 32.69 C ATOM 122 O GLY H 15 0.263 9.227 37.492 1.00 32.29 O ATOM 123 H GLY H 15 -1.557 6.363 35.411 1.00 0.00 H ATOM 124 N GLY H 16 0.553 6.984 37.266 1.00 28.06 N ATOM 125 CA GLY H 16 1.986 7.022 37.530 1.00 31.20 C ATOM 126 C GLY H 16 2.889 7.609 36.470 1.00 30.42 C ATOM 127 O GLY H 16 2.447 8.001 35.406 1.00 30.45 O ATOM 128 H GLY H 16 0.103 6.069 37.060 1.00 0.00 H ATOM 129 N SER H 17 4.178 7.649 36.789 1.00 32.56 N ATOM 130 CA SER H 17 5.210 8.321 35.995 1.00 34.73 C ATOM 131 C SER H 17 6.415 7.431 35.831 1.00 35.85 C ATOM 132 O SER H 17 6.752 6.729 36.769 1.00 34.91 O ATOM 133 CB SER H 17 5.705 9.546 36.747 1.00 36.58 C ATOM 134 OG SER H 17 5.356 10.674 36.027 1.00 44.05 O ATOM 135 HG SER H 17 4.371 10.711 35.931 1.00 0.00 H ATOM 136 H SER H 17 4.475 7.170 37.663 1.00 0.00 H ATOM 137 N MET H 18 7.129 7.509 34.698 1.00 31.73 N ATOM 138 CA MET H 18 8.281 6.612 34.475 1.00 35.36 C ATOM 139 C MET H 18 9.154 7.275 33.450 1.00 34.80 C ATOM 140 O MET H 18 8.628 7.886 32.542 1.00 35.22 O ATOM 141 CB MET H 18 7.795 5.260 33.951 1.00 38.52 C ATOM 142 CG MET H 18 8.891 4.342 33.462 1.00 43.06 C ATOM 143 SD MET H 18 8.310 2.646 33.262 1.00 51.23 S ATOM 144 CE MET H 18 8.278 2.045 34.936 1.00 47.72 C ATOM 145 H MET H 18 6.869 8.206 33.971 1.00 0.00 H ATOM 146 N LYS H 19 10.475 7.162 33.599 1.00 33.26 N ATOM 147 CA LYS H 19 11.399 7.698 32.600 1.00 35.92 C ATOM 148 C LYS H 19 12.213 6.565 32.011 1.00 34.13 C ATOM 149 O LYS H 19 12.801 5.778 32.745 1.00 33.45 O ATOM 150 CB LYS H 19 12.349 8.706 33.203 1.00 36.66 C ATOM 151 CG LYS H 19 13.198 9.375 32.166 1.00 40.05 C ATOM 152 CD LYS H 19 14.360 10.076 32.810 1.00 46.04 C ATOM 153 CE LYS H 19 14.548 11.481 32.231 1.00 48.61 C ATOM 154 NZ LYS H 19 15.742 12.076 32.914 1.00 54.95 N ATOM 155 HZ1 LYS H 19 15.568 12.119 33.938 1.00 0.00 H ATOM 156 HZ2 LYS H 19 16.577 11.485 32.727 1.00 0.00 H ATOM 157 HZ3 LYS H 19 15.906 13.036 32.549 1.00 0.00 H ATOM 158 H LYS H 19 10.855 6.684 34.441 1.00 0.00 H ATOM 159 N LEU H 20 12.252 6.480 30.684 1.00 31.68 N ATOM 160 CA LEU H 20 13.002 5.437 30.073 1.00 30.68 C ATOM 161 C LEU H 20 14.251 6.023 29.575 1.00 27.89 C ATOM 162 O LEU H 20 14.252 7.168 29.104 1.00 28.44 O ATOM 163 CB LEU H 20 12.259 4.841 28.868 1.00 29.55 C ATOM 164 CG LEU H 20 10.862 4.346 29.184 1.00 31.29 C ATOM 165 CD1 LEU H 20 10.260 3.726 27.917 1.00 32.09 C ATOM 166 CD2 LEU H 20 10.875 3.378 30.359 1.00 33.30 C ATOM 167 H LEU H 20 11.739 7.170 30.099 1.00 0.00 H ATOM 168 N SER H 21 15.297 5.203 29.571 1.00 28.07 N ATOM 169 CA SER H 21 16.547 5.598 28.910 1.00 31.04 C ATOM 170 C SER H 21 16.957 4.669 27.785 1.00 30.87 C ATOM 171 O SER H 21 16.632 3.463 27.786 1.00 32.90 O ATOM 172 CB SER H 21 17.674 5.628 29.919 1.00 30.55 C ATOM 173 OG SER H 21 17.415 6.681 30.826 1.00 36.33 O ATOM 174 HG SER H 21 18.140 6.722 31.498 1.00 0.00 H ATOM 175 H SER H 21 15.230 4.277 30.039 1.00 0.00 H ATOM 176 N CYS H 22 17.744 5.220 26.874 1.00 32.96 N ATOM 177 CA CYS H 22 18.412 4.422 25.838 1.00 32.79 C ATOM 178 C CYS H 22 19.813 4.907 25.504 1.00 31.85 C ATOM 179 O CYS H 22 20.009 6.061 25.080 1.00 32.00 O ATOM 180 CB CYS H 22 17.578 4.449 24.580 1.00 39.64 C ATOM 181 SG CYS H 22 18.352 3.587 23.208 1.00 42.33 S ATOM 182 H CYS H 22 17.894 6.249 26.893 1.00 0.00 H ATOM 183 N VAL H 23 20.782 4.028 25.658 1.00 28.98 N ATOM 184 CA VAL H 23 22.182 4.406 25.373 1.00 32.67 C ATOM 185 C VAL H 23 22.629 3.733 24.077 1.00 35.53 C ATOM 186 O VAL H 23 22.438 2.529 23.868 1.00 36.46 O ATOM 187 CB VAL H 23 23.124 4.145 26.588 1.00 37.73 C ATOM 188 CG1 VAL H 23 23.073 2.708 27.075 1.00 42.28 C ATOM 189 CG2 VAL H 23 24.578 4.468 26.273 1.00 39.53 C ATOM 190 H VAL H 23 20.561 3.065 25.981 1.00 0.00 H ATOM 191 N ALA H 24 23.203 4.551 23.202 1.00 36.40 N ATOM 192 CA ALA H 24 23.751 4.146 21.919 1.00 36.75 C ATOM 193 C ALA H 24 25.229 3.882 21.971 1.00 40.99 C ATOM 194 O ALA H 24 25.992 4.672 22.543 1.00 38.72 O ATOM 195 CB ALA H 24 23.526 5.275 20.938 1.00 39.44 C ATOM 196 H ALA H 24 23.265 5.558 23.455 1.00 0.00 H ATOM 197 N SER H 25 25.675 2.831 21.301 1.00 38.73 N ATOM 198 CA SER H 25 27.101 2.664 21.135 1.00 40.04 C ATOM 199 C SER H 25 27.464 2.066 19.785 1.00 41.73 C ATOM 200 O SER H 25 26.673 1.378 19.143 1.00 36.18 O ATOM 201 CB SER H 25 27.666 1.818 22.285 1.00 45.60 C ATOM 202 OG SER H 25 26.962 0.597 22.419 1.00 46.48 O ATOM 203 HG SER H 25 26.008 0.786 22.605 1.00 0.00 H ATOM 204 H SER H 25 25.011 2.138 20.901 1.00 0.00 H ATOM 205 N GLY H 26 28.681 2.351 19.360 1.00 44.31 N ATOM 206 CA GLY H 26 29.251 1.717 18.196 1.00 47.59 C ATOM 207 C GLY H 26 28.978 2.464 16.924 1.00 48.19 C ATOM 208 O GLY H 26 29.280 1.942 15.849 1.00 55.26 O ATOM 209 H GLY H 26 29.245 3.053 19.880 1.00 0.00 H ATOM 210 N PHE H 27 28.394 3.656 17.029 1.00 45.33 N ATOM 211 CA PHE H 27 28.199 4.553 15.877 1.00 43.02 C ATOM 212 C PHE H 27 28.103 5.984 16.363 1.00 43.52 C ATOM 213 O PHE H 27 28.060 6.199 17.571 1.00 43.56 O ATOM 214 CB PHE H 27 26.961 4.170 15.045 1.00 45.32 C ATOM 215 CG PHE H 27 25.632 4.449 15.719 1.00 45.43 C ATOM 216 CD1 PHE H 27 25.120 3.568 16.684 1.00 44.19 C ATOM 217 CD2 PHE H 27 24.866 5.564 15.349 1.00 41.15 C ATOM 218 CE1 PHE H 27 23.868 3.793 17.263 1.00 42.25 C ATOM 219 CE2 PHE H 27 23.609 5.793 15.922 1.00 41.57 C ATOM 220 CZ PHE H 27 23.111 4.917 16.889 1.00 38.02 C ATOM 221 H PHE H 27 28.061 3.967 17.964 1.00 0.00 H ATOM 222 N THR H 28 28.085 6.952 15.433 1.00 42.56 N ATOM 223 CA THR H 28 28.020 8.378 15.773 1.00 44.83 C ATOM 224 C THR H 28 26.579 8.833 16.087 1.00 47.46 C ATOM 225 O THR H 28 25.875 9.437 15.253 1.00 45.77 O ATOM 226 CB THR H 28 28.625 9.281 14.669 1.00 47.90 C ATOM 227 OG1 THR H 28 29.976 8.898 14.433 1.00 53.97 O ATOM 228 CG2 THR H 28 28.629 10.741 15.105 1.00 47.95 C ATOM 229 HG1 THR H 28 30.363 9.475 13.728 1.00 0.00 H ATOM 230 H THR H 28 28.119 6.680 14.430 1.00 0.00 H ATOM 231 N PHE H 29 26.186 8.569 17.331 1.00 44.69 N ATOM 232 CA PHE H 29 24.856 8.849 17.840 1.00 42.71 C ATOM 233 C PHE H 29 24.304 10.233 17.482 1.00 40.07 C ATOM 234 O PHE H 29 23.142 10.374 17.069 1.00 39.24 O ATOM 235 CB PHE H 29 24.866 8.625 19.374 1.00 41.92 C ATOM 236 CG PHE H 29 23.602 9.051 20.054 1.00 40.63 C ATOM 237 CD1 PHE H 29 22.503 8.237 20.042 1.00 38.46 C ATOM 238 CD2 PHE H 29 23.499 10.299 20.648 1.00 42.39 C ATOM 239 CE1 PHE H 29 21.323 8.635 20.643 1.00 37.23 C ATOM 240 CE2 PHE H 29 22.321 10.705 21.236 1.00 39.83 C ATOM 241 CZ PHE H 29 21.229 9.869 21.237 1.00 38.68 C ATOM 242 H PHE H 29 26.875 8.135 17.978 1.00 0.00 H ATOM 243 N SER H 30 25.117 11.263 17.641 1.00 40.39 N ATOM 244 CA SER H 30 24.630 12.634 17.515 1.00 40.22 C ATOM 245 C SER H 30 24.358 13.089 16.088 1.00 38.32 C ATOM 246 O SER H 30 23.913 14.189 15.892 1.00 37.72 O ATOM 247 CB SER H 30 25.658 13.573 18.141 1.00 46.42 C ATOM 248 OG SER H 30 26.927 13.357 17.538 1.00 47.93 O ATOM 249 HG SER H 30 27.592 13.967 17.945 1.00 0.00 H ATOM 250 H SER H 30 26.120 11.094 17.859 1.00 0.00 H ATOM 251 N ASN H 31 24.654 12.254 15.094 1.00 40.74 N ATOM 252 CA ASN H 31 24.358 12.555 13.675 1.00 39.21 C ATOM 253 C ASN H 31 22.972 12.122 13.178 1.00 38.29 C ATOM 254 O ASN H 31 22.618 12.385 12.011 1.00 36.15 O ATOM 255 CB ASN H 31 25.355 11.835 12.791 1.00 38.01 C ATOM 256 CG ASN H 31 26.713 12.496 12.774 1.00 43.66 C ATOM 257 OD1 ASN H 31 26.904 13.649 13.236 1.00 41.37 O ATOM 258 ND2 ASN H 31 27.677 11.779 12.216 1.00 45.90 N ATOM 259 HD22 ASN H 31 27.471 10.829 11.847 1.00 0.00 H ATOM 260 HD21 ASN H 31 28.640 12.166 12.147 1.00 0.00 H ATOM 261 H ASN H 31 25.114 11.350 15.325 1.00 0.00 H ATOM 262 N TYR H 32 22.215 11.449 14.047 1.00 32.96 N ATOM 263 CA TYR H 32 20.953 10.831 13.654 1.00 31.32 C ATOM 264 C TYR H 32 19.781 11.231 14.552 1.00 29.74 C ATOM 265 O TYR H 32 19.911 11.392 15.775 1.00 30.30 O ATOM 266 CB TYR H 32 21.127 9.307 13.682 1.00 33.80 C ATOM 267 CG TYR H 32 22.172 8.836 12.676 1.00 36.36 C ATOM 268 CD1 TYR H 32 21.856 8.680 11.296 1.00 36.11 C ATOM 269 CD2 TYR H 32 23.491 8.570 13.089 1.00 39.01 C ATOM 270 CE1 TYR H 32 22.822 8.243 10.375 1.00 39.02 C ATOM 271 CE2 TYR H 32 24.462 8.129 12.185 1.00 37.90 C ATOM 272 CZ TYR H 32 24.137 7.977 10.828 1.00 38.79 C ATOM 273 OH TYR H 32 25.133 7.579 9.947 1.00 41.96 O ATOM 274 HH TYR H 32 24.758 7.515 9.033 1.00 0.00 H ATOM 275 H TYR H 32 22.534 11.363 15.033 1.00 0.00 H ATOM 276 N TRP H 33 18.602 11.316 13.965 1.00 28.59 N ATOM 277 CA TRP H 33 17.414 11.476 14.765 1.00 28.36 C ATOM 278 C TRP H 33 17.147 10.194 15.475 1.00 27.18 C ATOM 279 O TRP H 33 17.573 9.121 15.022 1.00 32.36 O ATOM 280 CB TRP H 33 16.204 11.787 13.929 1.00 29.15 C ATOM 281 CG TRP H 33 16.259 12.939 13.008 1.00 27.87 C ATOM 282 CD1 TRP H 33 17.344 13.720 12.668 1.00 28.71 C ATOM 283 CD2 TRP H 33 15.184 13.369 12.211 1.00 28.82 C ATOM 284 NE1 TRP H 33 16.972 14.656 11.716 1.00 28.59 N ATOM 285 CE2 TRP H 33 15.645 14.464 11.425 1.00 29.74 C ATOM 286 CE3 TRP H 33 13.853 12.974 12.109 1.00 31.06 C ATOM 287 CZ2 TRP H 33 14.813 15.157 10.558 1.00 31.90 C ATOM 288 CZ3 TRP H 33 13.016 13.652 11.201 1.00 34.47 C ATOM 289 CH2 TRP H 33 13.499 14.747 10.454 1.00 31.89 C ATOM 290 HE1 TRP H 33 17.591 15.378 11.295 1.00 0.00 H ATOM 291 H TRP H 33 18.530 11.268 12.929 1.00 0.00 H ATOM 292 N MET H 34 16.416 10.283 16.572 1.00 28.30 N ATOM 293 CA MET H 34 15.995 9.099 17.293 1.00 29.95 C ATOM 294 C MET H 34 14.517 9.146 17.539 1.00 28.89 C ATOM 295 O MET H 34 13.919 10.211 17.552 1.00 29.06 O ATOM 296 CB MET H 34 16.736 8.937 18.613 1.00 34.08 C ATOM 297 CG MET H 34 18.238 8.777 18.461 1.00 36.20 C ATOM 298 SD MET H 34 18.699 7.232 17.628 1.00 42.91 S ATOM 299 CE MET H 34 18.358 6.051 18.885 1.00 39.84 C ATOM 300 H MET H 34 16.137 11.221 16.925 1.00 0.00 H ATOM 301 N ASN H 35 13.960 7.961 17.787 1.00 26.31 N ATOM 302 CA ASN H 35 12.515 7.746 17.895 1.00 25.74 C ATOM 303 C ASN H 35 12.264 6.765 19.002 1.00 25.26 C ATOM 304 O ASN H 35 13.105 5.915 19.237 1.00 25.31 O ATOM 305 CB ASN H 35 11.922 7.038 16.660 1.00 25.60 C ATOM 306 CG ASN H 35 12.208 7.754 15.356 1.00 25.60 C ATOM 307 OD1 ASN H 35 11.461 8.626 14.927 1.00 25.04 O ATOM 308 ND2 ASN H 35 13.276 7.373 14.727 1.00 25.82 N ATOM 309 HD22 ASN H 35 13.880 6.629 15.131 1.00 0.00 H ATOM 310 HD21 ASN H 35 13.529 7.812 13.819 1.00 0.00 H ATOM 311 H ASN H 35 14.588 7.141 17.911 1.00 0.00 H ATOM 312 N TRP H 36 11.087 6.860 19.618 1.00 25.49 N ATOM 313 CA TRP H 36 10.593 5.810 20.469 1.00 25.14 C ATOM 314 C TRP H 36 9.394 5.248 19.726 1.00 26.53 C ATOM 315 O TRP H 36 8.583 5.992 19.135 1.00 26.75 O ATOM 316 CB TRP H 36 10.196 6.329 21.863 1.00 25.27 C ATOM 317 CG TRP H 36 11.389 6.608 22.748 1.00 27.36 C ATOM 318 CD1 TRP H 36 12.057 7.813 22.897 1.00 26.41 C ATOM 319 CD2 TRP H 36 12.082 5.658 23.586 1.00 26.32 C ATOM 320 NE1 TRP H 36 13.107 7.647 23.764 1.00 27.33 N ATOM 321 CE2 TRP H 36 13.124 6.353 24.220 1.00 27.40 C ATOM 322 CE3 TRP H 36 11.906 4.284 23.863 1.00 27.66 C ATOM 323 CZ2 TRP H 36 13.974 5.735 25.112 1.00 28.82 C ATOM 324 CZ3 TRP H 36 12.717 3.681 24.758 1.00 28.85 C ATOM 325 CH2 TRP H 36 13.766 4.381 25.354 1.00 29.95 C ATOM 326 HE1 TRP H 36 13.785 8.388 24.034 1.00 0.00 H ATOM 327 H TRP H 36 10.510 7.715 19.481 1.00 0.00 H ATOM 328 N VAL H 37 9.325 3.928 19.766 1.00 25.79 N ATOM 329 CA VAL H 37 8.231 3.163 19.190 1.00 26.60 C ATOM 330 C VAL H 37 7.822 2.114 20.220 1.00 27.13 C ATOM 331 O VAL H 37 8.676 1.573 20.967 1.00 26.84 O ATOM 332 CB VAL H 37 8.695 2.419 17.912 1.00 27.41 C ATOM 333 CG1 VAL H 37 7.552 1.636 17.326 1.00 29.58 C ATOM 334 CG2 VAL H 37 9.210 3.404 16.876 1.00 29.78 C ATOM 335 H VAL H 37 10.095 3.409 20.235 1.00 0.00 H ATOM 336 N ARG H 38 6.531 1.810 20.271 1.00 26.31 N ATOM 337 CA ARG H 38 6.070 0.888 21.263 1.00 28.09 C ATOM 338 C ARG H 38 5.244 -0.202 20.628 1.00 30.15 C ATOM 339 O ARG H 38 4.494 0.042 19.644 1.00 30.02 O ATOM 340 CB ARG H 38 5.266 1.624 22.334 1.00 29.78 C ATOM 341 CG ARG H 38 3.944 2.228 21.903 1.00 29.54 C ATOM 342 CD ARG H 38 3.329 2.956 23.080 1.00 32.04 C ATOM 343 NE ARG H 38 2.100 3.655 22.724 1.00 32.16 N ATOM 344 CZ ARG H 38 1.395 4.419 23.553 1.00 32.52 C ATOM 345 NH1 ARG H 38 1.797 4.610 24.806 1.00 32.41 N ATOM 346 NH2 ARG H 38 0.294 5.002 23.118 1.00 34.19 N ATOM 347 HE ARG H 38 1.749 3.548 21.751 1.00 0.00 H ATOM 348 HH12 ARG H 38 1.238 5.210 25.446 1.00 0.00 H ATOM 349 HH11 ARG H 38 2.671 4.160 25.146 1.00 0.00 H ATOM 350 HH22 ARG H 38 -0.265 5.602 23.758 1.00 0.00 H ATOM 351 HH21 ARG H 38 -0.015 4.862 22.135 1.00 0.00 H ATOM 352 H ARG H 38 5.863 2.237 19.598 1.00 0.00 H ATOM 353 N GLN H 39 5.421 -1.422 21.140 1.00 31.71 N ATOM 354 CA GLN H 39 4.732 -2.529 20.564 1.00 32.06 C ATOM 355 C GLN H 39 3.370 -2.839 21.203 1.00 39.70 C ATOM 356 O GLN H 39 2.347 -2.755 20.551 1.00 51.79 O ATOM 357 CB GLN H 39 5.603 -3.747 20.539 1.00 31.94 C ATOM 358 CG GLN H 39 4.926 -4.809 19.701 1.00 36.00 C ATOM 359 CD GLN H 39 5.806 -5.988 19.421 1.00 40.25 C ATOM 360 OE1 GLN H 39 5.612 -6.697 18.433 1.00 42.15 O ATOM 361 NE2 GLN H 39 6.761 -6.229 20.314 1.00 43.20 N ATOM 362 HE22 GLN H 39 6.881 -5.597 21.131 1.00 0.00 H ATOM 363 HE21 GLN H 39 7.388 -7.050 20.196 1.00 0.00 H ATOM 364 H GLN H 39 6.056 -1.564 21.952 1.00 0.00 H ATOM 365 N SER H 40 3.284 -3.283 22.426 1.00 42.46 N ATOM 366 CA SER H 40 1.881 -3.527 22.935 1.00 46.89 C ATOM 367 C SER H 40 1.350 -4.943 22.781 1.00 49.90 C ATOM 368 O SER H 40 1.736 -5.658 21.845 1.00 43.10 O ATOM 369 CB SER H 40 0.828 -2.543 22.402 1.00 46.69 C ATOM 370 OG SER H 40 -0.344 -3.205 21.957 1.00 53.24 O ATOM 371 HG SER H 40 -0.744 -3.707 22.710 1.00 0.00 H ATOM 372 H SER H 40 4.125 -3.458 23.013 1.00 0.00 H ATOM 373 N PRO H 41 0.473 -5.349 23.738 1.00 52.21 N ATOM 374 CA PRO H 41 0.132 -6.765 23.871 1.00 57.62 C ATOM 375 C PRO H 41 -0.606 -7.310 22.666 1.00 57.82 C ATOM 376 O PRO H 41 -0.474 -8.491 22.399 1.00 55.08 O ATOM 377 CB PRO H 41 -0.747 -6.822 25.131 1.00 54.63 C ATOM 378 CG PRO H 41 -1.208 -5.429 25.366 1.00 54.07 C ATOM 379 CD PRO H 41 -0.165 -4.527 24.787 1.00 52.87 C ATOM 380 N GLU H 42 -1.301 -6.447 21.910 1.00 59.11 N ATOM 381 CA GLU H 42 -2.036 -6.895 20.700 1.00 59.94 C ATOM 382 C GLU H 42 -1.094 -7.130 19.530 1.00 59.36 C ATOM 383 O GLU H 42 -1.542 -7.221 18.393 1.00 53.72 O ATOM 384 CB GLU H 42 -3.164 -5.924 20.258 1.00 62.90 C ATOM 385 CG GLU H 42 -3.154 -4.513 20.835 1.00 67.15 C ATOM 386 CD GLU H 42 -3.252 -4.541 22.352 1.00 71.97 C ATOM 387 OE1 GLU H 42 -3.632 -5.606 22.894 1.00 70.29 O ATOM 388 OE2 GLU H 42 -2.898 -3.532 22.997 1.00 67.49 O ATOM 389 H GLU H 42 -1.326 -5.442 22.177 1.00 0.00 H ATOM 390 N LYS H 43 0.211 -7.228 19.794 1.00 61.37 N ATOM 391 CA LYS H 43 1.189 -7.147 18.740 1.00 60.53 C ATOM 392 C LYS H 43 0.960 -5.775 18.048 1.00 61.07 C ATOM 393 O LYS H 43 0.029 -5.021 18.381 1.00 69.80 O ATOM 394 CB LYS H 43 1.040 -8.370 17.806 1.00 67.96 C ATOM 395 CG LYS H 43 1.093 -8.053 16.312 1.00 72.85 C ATOM 396 CD LYS H 43 0.861 -9.238 15.384 1.00 73.83 C ATOM 397 CE LYS H 43 1.300 -8.827 13.981 1.00 75.07 C ATOM 398 NZ LYS H 43 0.661 -9.587 12.879 1.00 73.89 N ATOM 399 HZ1 LYS H 43 0.887 -10.597 12.980 1.00 0.00 H ATOM 400 HZ2 LYS H 43 -0.370 -9.455 12.921 1.00 0.00 H ATOM 401 HZ3 LYS H 43 1.019 -9.240 11.967 1.00 0.00 H ATOM 402 H LYS H 43 0.526 -7.365 20.776 1.00 0.00 H ATOM 403 N GLY H 44 1.807 -5.395 17.115 1.00 54.99 N ATOM 404 CA GLY H 44 1.545 -4.137 16.427 1.00 50.22 C ATOM 405 C GLY H 44 2.285 -2.967 17.036 1.00 41.37 C ATOM 406 O GLY H 44 2.328 -2.814 18.250 1.00 37.78 O ATOM 407 H GLY H 44 2.637 -5.974 16.876 1.00 0.00 H ATOM 408 N LEU H 45 2.820 -2.129 16.156 1.00 37.48 N ATOM 409 CA LEU H 45 3.754 -1.106 16.490 1.00 34.52 C ATOM 410 C LEU H 45 3.119 0.211 16.350 1.00 31.11 C ATOM 411 O LEU H 45 2.449 0.462 15.382 1.00 29.07 O ATOM 412 CB LEU H 45 4.909 -1.119 15.491 1.00 34.65 C ATOM 413 CG LEU H 45 5.895 -2.230 15.687 1.00 35.45 C ATOM 414 CD1 LEU H 45 6.940 -2.147 14.589 1.00 37.68 C ATOM 415 CD2 LEU H 45 6.526 -2.132 17.066 1.00 35.68 C ATOM 416 H LEU H 45 2.539 -2.225 15.159 1.00 0.00 H ATOM 417 N GLU H 46 3.468 1.098 17.257 1.00 31.16 N ATOM 418 CA GLU H 46 2.999 2.439 17.237 1.00 30.82 C ATOM 419 C GLU H 46 4.165 3.411 17.458 1.00 27.35 C ATOM 420 O GLU H 46 4.828 3.389 18.492 1.00 24.33 O ATOM 421 CB GLU H 46 1.959 2.604 18.343 1.00 33.21 C ATOM 422 CG GLU H 46 1.167 3.925 18.229 1.00 40.05 C ATOM 423 CD GLU H 46 0.151 4.180 19.374 1.00 42.36 C ATOM 424 OE1 GLU H 46 0.154 3.452 20.405 1.00 44.24 O ATOM 425 OE2 GLU H 46 -0.677 5.127 19.244 1.00 48.90 O ATOM 426 H GLU H 46 4.113 0.806 18.019 1.00 0.00 H ATOM 427 N TRP H 47 4.367 4.311 16.526 1.00 25.29 N ATOM 428 CA TRP H 47 5.413 5.306 16.699 1.00 28.22 C ATOM 429 C TRP H 47 4.962 6.297 17.741 1.00 30.56 C ATOM 430 O TRP H 47 3.787 6.644 17.790 1.00 33.08 O ATOM 431 CB TRP H 47 5.656 6.005 15.383 1.00 29.64 C ATOM 432 CG TRP H 47 6.563 7.155 15.442 1.00 28.55 C ATOM 433 CD1 TRP H 47 7.915 7.125 15.375 1.00 27.96 C ATOM 434 CD2 TRP H 47 6.178 8.536 15.530 1.00 28.12 C ATOM 435 NE1 TRP H 47 8.419 8.416 15.416 1.00 30.28 N ATOM 436 CE2 TRP H 47 7.364 9.298 15.503 1.00 30.01 C ATOM 437 CE3 TRP H 47 4.946 9.198 15.618 1.00 29.53 C ATOM 438 CZ2 TRP H 47 7.362 10.692 15.570 1.00 29.65 C ATOM 439 CZ3 TRP H 47 4.943 10.601 15.702 1.00 31.43 C ATOM 440 CH2 TRP H 47 6.140 11.327 15.677 1.00 31.25 C ATOM 441 HE1 TRP H 47 9.426 8.675 15.386 1.00 0.00 H ATOM 442 H TRP H 47 3.781 4.313 15.667 1.00 0.00 H ATOM 443 N VAL H 48 5.901 6.759 18.578 1.00 33.13 N ATOM 444 CA VAL H 48 5.562 7.532 19.765 1.00 30.71 C ATOM 445 C VAL H 48 6.107 8.953 19.691 1.00 26.69 C ATOM 446 O VAL H 48 5.390 9.890 19.968 1.00 26.85 O ATOM 447 CB VAL H 48 6.031 6.737 21.024 1.00 31.94 C ATOM 448 CG1 VAL H 48 6.003 7.531 22.289 1.00 33.40 C ATOM 449 CG2 VAL H 48 5.184 5.483 21.185 1.00 39.32 C ATOM 450 H VAL H 48 6.901 6.560 18.374 1.00 0.00 H ATOM 451 N ALA H 49 7.378 9.094 19.362 1.00 25.54 N ATOM 452 CA ALA H 49 8.031 10.396 19.319 1.00 27.13 C ATOM 453 C ALA H 49 9.339 10.301 18.551 1.00 28.49 C ATOM 454 O ALA H 49 9.939 9.205 18.447 1.00 27.91 O ATOM 455 CB ALA H 49 8.306 10.849 20.744 1.00 28.55 C ATOM 456 H ALA H 49 7.932 8.246 19.125 1.00 0.00 H ATOM 457 N GLU H 50 9.783 11.437 18.002 1.00 27.73 N ATOM 458 CA GLU H 50 11.084 11.577 17.431 1.00 28.44 C ATOM 459 C GLU H 50 11.773 12.815 18.032 1.00 29.93 C ATOM 460 O GLU H 50 11.127 13.776 18.457 1.00 26.65 O ATOM 461 CB GLU H 50 10.999 11.778 15.913 1.00 33.71 C ATOM 462 CG GLU H 50 10.630 13.208 15.549 1.00 36.69 C ATOM 463 CD GLU H 50 10.494 13.541 14.069 1.00 40.53 C ATOM 464 OE1 GLU H 50 10.429 12.648 13.184 1.00 35.80 O ATOM 465 OE2 GLU H 50 10.402 14.771 13.809 1.00 43.66 O ATOM 466 H GLU H 50 9.148 12.261 17.990 1.00 0.00 H ATOM 467 N ILE H 51 13.094 12.827 17.935 1.00 28.42 N ATOM 468 CA ILE H 51 13.830 14.032 18.231 1.00 27.96 C ATOM 469 C ILE H 51 14.965 14.171 17.249 1.00 30.32 C ATOM 470 O ILE H 51 15.707 13.199 16.934 1.00 27.90 O ATOM 471 CB ILE H 51 14.353 14.042 19.683 1.00 27.66 C ATOM 472 CG1 ILE H 51 15.146 15.329 20.009 1.00 27.86 C ATOM 473 CG2 ILE H 51 15.235 12.833 19.979 1.00 29.76 C ATOM 474 CD1 ILE H 51 15.287 15.538 21.510 1.00 29.06 C ATOM 475 H ILE H 51 13.601 11.967 17.645 1.00 0.00 H ATOM 476 N ARG H 52 15.149 15.377 16.759 1.00 29.83 N ATOM 477 CA ARG H 52 16.158 15.585 15.755 1.00 32.43 C ATOM 478 C ARG H 52 17.491 16.063 16.322 1.00 36.96 C ATOM 479 O ARG H 52 17.809 15.757 17.431 1.00 36.69 O ATOM 480 CB ARG H 52 15.687 16.433 14.590 1.00 37.42 C ATOM 481 CG ARG H 52 14.295 16.978 14.672 1.00 41.58 C ATOM 482 CD ARG H 52 13.336 16.353 13.696 1.00 43.17 C ATOM 483 NE ARG H 52 13.113 17.147 12.527 1.00 43.05 N ATOM 484 CZ ARG H 52 12.006 17.172 11.809 1.00 43.81 C ATOM 485 NH1 ARG H 52 10.968 16.488 12.144 1.00 43.79 N ATOM 486 NH2 ARG H 52 11.948 17.933 10.744 1.00 42.77 N ATOM 487 HE ARG H 52 13.893 17.760 12.215 1.00 0.00 H ATOM 488 HH12 ARG H 52 10.109 16.527 11.559 1.00 0.00 H ATOM 489 HH11 ARG H 52 10.989 15.897 12.999 1.00 0.00 H ATOM 490 HH22 ARG H 52 11.081 17.960 10.171 1.00 0.00 H ATOM 491 HH21 ARG H 52 12.769 18.510 10.472 1.00 0.00 H ATOM 492 H ARG H 52 14.570 16.173 17.094 1.00 0.00 H ATOM 493 N LEU H 52A 18.273 16.775 15.529 1.00 32.32 N ATOM 494 CA LEU H 52A 19.605 17.117 15.935 1.00 37.47 C ATOM 495 C LEU H 52A 19.755 18.481 16.579 1.00 34.28 C ATOM 496 O LEU H 52A 18.928 19.335 16.458 1.00 35.38 O ATOM 497 CB LEU H 52A 20.582 17.034 14.769 1.00 34.46 C ATOM 498 CG LEU H 52A 20.346 15.990 13.697 1.00 34.76 C ATOM 499 CD1 LEU H 52A 21.219 16.261 12.493 1.00 35.11 C ATOM 500 CD2 LEU H 52A 20.565 14.601 14.252 1.00 36.19 C ATOM 501 H LEU H 52A 17.919 17.090 14.603 1.00 0.00 H ATOM 502 N LYS H 52B 20.898 18.638 17.211 1.00 62.37 N ATOM 503 CA LYS H 52B 21.393 19.893 17.751 1.00 61.91 C ATOM 504 C LYS H 52B 21.165 20.986 16.767 1.00 55.74 C ATOM 505 O LYS H 52B 20.579 21.957 17.083 1.00 47.78 O ATOM 506 CB LYS H 52B 22.873 19.751 18.049 1.00 65.82 C ATOM 507 CG LYS H 52B 23.489 20.849 18.886 1.00 69.53 C ATOM 508 CD LYS H 52B 24.896 20.443 19.274 1.00 74.27 C ATOM 509 CE LYS H 52B 25.837 21.603 19.061 1.00 82.88 C ATOM 510 NZ LYS H 52B 27.204 21.266 18.543 1.00 84.52 N ATOM 511 HZ1 LYS H 52B 27.681 20.631 19.214 1.00 0.00 H ATOM 512 HZ2 LYS H 52B 27.117 20.795 17.620 1.00 0.00 H ATOM 513 HZ3 LYS H 52B 27.758 22.140 18.437 1.00 0.00 H ATOM 514 H LYS H 52B 21.496 17.796 17.334 1.00 0.00 H ATOM 515 N SER H 52C 21.576 20.781 15.535 1.00 46.09 N ATOM 516 CA SER H 52C 21.395 21.787 14.514 1.00 47.92 C ATOM 517 C SER H 52C 19.936 22.124 14.246 1.00 47.74 C ATOM 518 O SER H 52C 19.629 23.146 13.646 1.00 51.19 O ATOM 519 CB SER H 52C 22.117 21.375 13.232 1.00 51.65 C ATOM 520 OG SER H 52C 21.293 20.594 12.408 1.00 54.95 O ATOM 521 HG SER H 52C 21.789 20.344 11.588 1.00 0.00 H ATOM 522 H SER H 52C 22.038 19.882 15.292 1.00 0.00 H ATOM 523 N ASN H 53 19.036 21.260 14.685 1.00 43.82 N ATOM 524 CA ASN H 53 17.618 21.518 14.591 1.00 41.28 C ATOM 525 C ASN H 53 17.090 22.052 15.903 1.00 42.81 C ATOM 526 O ASN H 53 15.916 22.259 16.076 1.00 43.43 O ATOM 527 CB ASN H 53 16.865 20.241 14.199 1.00 43.01 C ATOM 528 CG ASN H 53 17.494 19.525 13.046 1.00 39.75 C ATOM 529 OD1 ASN H 53 17.893 18.413 13.164 1.00 44.68 O ATOM 530 ND2 ASN H 53 17.568 20.168 11.936 1.00 41.09 N ATOM 531 HD22 ASN H 53 17.207 21.141 11.874 1.00 0.00 H ATOM 532 HD21 ASN H 53 17.989 19.715 11.100 1.00 0.00 H ATOM 533 H ASN H 53 19.359 20.368 15.111 1.00 0.00 H ATOM 534 N ASN H 54 17.990 22.288 16.829 1.00 43.04 N ATOM 535 CA ASN H 54 17.612 22.649 18.158 1.00 40.50 C ATOM 536 C ASN H 54 16.812 21.543 18.783 1.00 40.52 C ATOM 537 O ASN H 54 15.928 21.786 19.540 1.00 40.21 O ATOM 538 CB ASN H 54 16.808 23.924 18.136 1.00 42.48 C ATOM 539 CG ASN H 54 17.665 25.120 17.869 1.00 48.61 C ATOM 540 OD1 ASN H 54 18.582 25.408 18.595 1.00 52.61 O ATOM 541 ND2 ASN H 54 17.390 25.786 16.812 1.00 48.03 N ATOM 542 HD22 ASN H 54 16.589 25.503 16.213 1.00 0.00 H ATOM 543 HD21 ASN H 54 17.968 26.611 16.552 1.00 0.00 H ATOM 544 H ASN H 54 18.999 22.210 16.590 1.00 0.00 H ATOM 545 N TYR H 55 17.146 20.317 18.444 1.00 41.50 N ATOM 546 CA TYR H 55 16.578 19.164 19.122 1.00 39.94 C ATOM 547 C TYR H 55 15.039 19.195 19.057 1.00 36.11 C ATOM 548 O TYR H 55 14.366 18.848 20.009 1.00 36.37 O ATOM 549 CB TYR H 55 17.087 19.132 20.590 1.00 46.79 C ATOM 550 CG TYR H 55 18.587 18.882 20.726 1.00 48.14 C ATOM 551 CD1 TYR H 55 19.149 17.721 20.234 1.00 50.54 C ATOM 552 CD2 TYR H 55 19.432 19.801 21.349 1.00 55.12 C ATOM 553 CE1 TYR H 55 20.506 17.453 20.343 1.00 54.28 C ATOM 554 CE2 TYR H 55 20.803 19.557 21.462 1.00 56.23 C ATOM 555 CZ TYR H 55 21.334 18.371 20.963 1.00 59.03 C ATOM 556 OH TYR H 55 22.685 18.078 21.057 1.00 61.29 O ATOM 557 HH TYR H 55 22.859 17.194 20.646 1.00 0.00 H ATOM 558 H TYR H 55 17.831 20.170 17.675 1.00 0.00 H ATOM 559 N ALA H 56 14.491 19.607 17.914 1.00 37.27 N ATOM 560 CA ALA H 56 13.028 19.657 17.702 1.00 36.25 C ATOM 561 C ALA H 56 12.414 18.280 17.816 1.00 36.57 C ATOM 562 O ALA H 56 13.015 17.301 17.414 1.00 35.62 O ATOM 563 CB ALA H 56 12.723 20.221 16.330 1.00 36.61 C ATOM 564 H ALA H 56 15.118 19.906 17.140 1.00 0.00 H ATOM 565 N THR H 57 11.205 18.219 18.347 1.00 37.54 N ATOM 566 CA THR H 57 10.568 16.959 18.676 1.00 35.42 C ATOM 567 C THR H 57 9.148 16.892 18.085 1.00 38.80 C ATOM 568 O THR H 57 8.504 17.943 17.817 1.00 35.69 O ATOM 569 CB THR H 57 10.471 16.788 20.199 1.00 37.08 C ATOM 570 OG1 THR H 57 9.818 17.926 20.778 1.00 35.05 O ATOM 571 CG2 THR H 57 11.847 16.642 20.821 1.00 36.45 C ATOM 572 HG1 THR H 57 9.760 17.808 21.759 1.00 0.00 H ATOM 573 H THR H 57 10.694 19.105 18.535 1.00 0.00 H ATOM 574 N HIS H 58 8.657 15.672 17.859 1.00 34.13 N ATOM 575 CA HIS H 58 7.271 15.498 17.468 1.00 35.97 C ATOM 576 C HIS H 58 6.769 14.259 18.180 1.00 34.22 C ATOM 577 O HIS H 58 7.537 13.332 18.416 1.00 30.28 O ATOM 578 CB HIS H 58 7.127 15.319 15.944 1.00 40.76 C ATOM 579 CG HIS H 58 7.310 16.578 15.158 1.00 45.54 C ATOM 580 ND1 HIS H 58 8.498 16.898 14.522 1.00 53.53 N ATOM 581 CD2 HIS H 58 6.451 17.591 14.886 1.00 44.61 C ATOM 582 CE1 HIS H 58 8.357 18.055 13.893 1.00 52.66 C ATOM 583 NE2 HIS H 58 7.125 18.497 14.100 1.00 49.96 N ATOM 584 H HIS H 58 9.272 14.840 17.964 1.00 0.00 H ATOM 585 N TYR H 59 5.477 14.270 18.514 1.00 34.48 N ATOM 586 CA TYR H 59 4.845 13.240 19.294 1.00 32.79 C ATOM 587 C TYR H 59 3.606 12.782 18.577 1.00 36.25 C ATOM 588 O TYR H 59 2.973 13.559 17.867 1.00 32.19 O ATOM 589 CB TYR H 59 4.420 13.800 20.631 1.00 34.02 C ATOM 590 CG TYR H 59 5.568 14.282 21.454 1.00 33.28 C ATOM 591 CD1 TYR H 59 6.275 13.402 22.264 1.00 30.90 C ATOM 592 CD2 TYR H 59 5.983 15.618 21.388 1.00 34.24 C ATOM 593 CE1 TYR H 59 7.362 13.842 23.009 1.00 32.48 C ATOM 594 CE2 TYR H 59 7.068 16.079 22.135 1.00 32.51 C ATOM 595 CZ TYR H 59 7.763 15.188 22.926 1.00 30.81 C ATOM 596 OH TYR H 59 8.838 15.610 23.670 1.00 29.74 O ATOM 597 HH TYR H 59 8.544 16.310 24.305 1.00 0.00 H ATOM 598 H TYR H 59 4.894 15.069 18.192 1.00 0.00 H ATOM 599 N ALA H 60 3.238 11.523 18.813 1.00 33.74 N ATOM 600 CA ALA H 60 1.943 11.014 18.408 1.00 34.64 C ATOM 601 C ALA H 60 0.889 11.688 19.257 1.00 35.70 C ATOM 602 O ALA H 60 1.123 11.966 20.418 1.00 36.71 O ATOM 603 CB ALA H 60 1.910 9.505 18.603 1.00 34.29 C ATOM 604 H ALA H 60 3.900 10.887 19.302 1.00 0.00 H ATOM 605 N GLU H 61 -0.288 11.965 18.713 1.00 42.00 N ATOM 606 CA GLU H 61 -1.328 12.630 19.516 1.00 43.31 C ATOM 607 C GLU H 61 -1.718 11.880 20.792 1.00 41.67 C ATOM 608 O GLU H 61 -2.131 12.502 21.758 1.00 42.33 O ATOM 609 CB GLU H 61 -2.609 12.874 18.709 1.00 45.91 C ATOM 610 CG GLU H 61 -3.433 14.059 19.252 1.00 54.30 C ATOM 611 CD GLU H 61 -2.787 15.441 18.980 1.00 60.23 C ATOM 612 OE1 GLU H 61 -2.150 15.614 17.906 1.00 50.16 O ATOM 613 OE2 GLU H 61 -2.925 16.365 19.837 1.00 62.50 O ATOM 614 H GLU H 61 -0.476 11.713 17.722 1.00 0.00 H ATOM 615 N SER H 62 -1.622 10.557 20.804 1.00 43.15 N ATOM 616 CA SER H 62 -2.034 9.775 21.996 1.00 42.98 C ATOM 617 C SER H 62 -1.192 10.088 23.238 1.00 45.30 C ATOM 618 O SER H 62 -1.655 9.968 24.386 1.00 40.59 O ATOM 619 CB SER H 62 -2.001 8.277 21.698 1.00 44.72 C ATOM 620 OG SER H 62 -0.782 7.891 21.075 1.00 48.56 O ATOM 621 HG SER H 62 -0.797 6.917 20.898 1.00 0.00 H ATOM 622 H SER H 62 -1.253 10.061 19.967 1.00 0.00 H ATOM 623 N VAL H 63 0.043 10.535 23.013 1.00 41.36 N ATOM 624 CA VAL H 63 0.957 10.795 24.117 1.00 37.31 C ATOM 625 C VAL H 63 1.302 12.271 24.250 1.00 37.26 C ATOM 626 O VAL H 63 1.999 12.653 25.179 1.00 35.28 O ATOM 627 CB VAL H 63 2.237 9.956 23.970 1.00 34.85 C ATOM 628 CG1 VAL H 63 1.923 8.464 23.871 1.00 36.38 C ATOM 629 CG2 VAL H 63 3.060 10.392 22.765 1.00 36.82 C ATOM 630 H VAL H 63 0.359 10.700 22.036 1.00 0.00 H ATOM 631 N LYS H 64 0.807 13.104 23.343 1.00 39.84 N ATOM 632 CA LYS H 64 1.168 14.522 23.337 1.00 44.02 C ATOM 633 C LYS H 64 0.764 15.156 24.683 1.00 43.77 C ATOM 634 O LYS H 64 -0.357 14.974 25.178 1.00 45.88 O ATOM 635 CB LYS H 64 0.561 15.244 22.124 1.00 46.11 C ATOM 636 CG LYS H 64 1.012 16.697 21.969 1.00 51.38 C ATOM 637 CD LYS H 64 1.159 17.156 20.521 1.00 51.42 C ATOM 638 CE LYS H 64 1.630 18.599 20.445 1.00 51.84 C ATOM 639 NZ LYS H 64 1.747 19.083 19.042 1.00 52.08 N ATOM 640 HZ1 LYS H 64 2.433 18.493 18.529 1.00 0.00 H ATOM 641 HZ2 LYS H 64 0.819 19.022 18.577 1.00 0.00 H ATOM 642 HZ3 LYS H 64 2.071 20.071 19.043 1.00 0.00 H ATOM 643 H LYS H 64 0.150 12.742 22.623 1.00 0.00 H ATOM 644 N GLY H 65 1.715 15.819 25.334 1.00 43.78 N ATOM 645 CA GLY H 65 1.419 16.468 26.611 1.00 44.70 C ATOM 646 C GLY H 65 1.522 15.571 27.830 1.00 43.41 C ATOM 647 O GLY H 65 1.368 16.029 28.940 1.00 47.16 O ATOM 648 H GLY H 65 2.673 15.876 24.934 1.00 0.00 H ATOM 649 N ARG H 66 1.754 14.288 27.646 1.00 38.74 N ATOM 650 CA ARG H 66 2.067 13.401 28.775 1.00 36.67 C ATOM 651 C ARG H 66 3.510 12.933 28.679 1.00 33.68 C ATOM 652 O ARG H 66 4.166 12.762 29.711 1.00 34.05 O ATOM 653 CB ARG H 66 1.152 12.178 28.768 1.00 37.05 C ATOM 654 CG ARG H 66 -0.346 12.477 28.753 1.00 38.82 C ATOM 655 CD ARG H 66 -1.032 11.436 27.851 1.00 42.51 C ATOM 656 NE ARG H 66 -0.905 10.213 28.561 1.00 41.97 N ATOM 657 CZ ARG H 66 -0.690 8.992 28.092 1.00 40.65 C ATOM 658 NH1 ARG H 66 -0.619 8.675 26.797 1.00 37.01 N ATOM 659 NH2 ARG H 66 -0.576 8.049 29.008 1.00 39.10 N ATOM 660 HE ARG H 66 -0.993 10.285 29.595 1.00 0.00 H ATOM 661 HH12 ARG H 66 -0.447 7.690 26.511 1.00 0.00 H ATOM 662 HH11 ARG H 66 -0.736 9.413 26.074 1.00 0.00 H ATOM 663 HH22 ARG H 66 -0.406 7.064 28.722 1.00 0.00 H ATOM 664 HH21 ARG H 66 -0.656 8.291 30.016 1.00 0.00 H ATOM 665 H ARG H 66 1.715 13.895 26.684 1.00 0.00 H ATOM 666 N PHE H 67 4.025 12.752 27.451 1.00 32.78 N ATOM 667 CA PHE H 67 5.398 12.223 27.264 1.00 30.28 C ATOM 668 C PHE H 67 6.344 13.319 26.825 1.00 30.73 C ATOM 669 O PHE H 67 5.934 14.248 26.111 1.00 29.76 O ATOM 670 CB PHE H 67 5.431 11.128 26.193 1.00 29.22 C ATOM 671 CG PHE H 67 4.743 9.839 26.582 1.00 29.72 C ATOM 672 CD1 PHE H 67 3.888 9.758 27.666 1.00 31.04 C ATOM 673 CD2 PHE H 67 4.943 8.703 25.822 1.00 28.51 C ATOM 674 CE1 PHE H 67 3.239 8.575 27.980 1.00 29.68 C ATOM 675 CE2 PHE H 67 4.323 7.521 26.152 1.00 28.87 C ATOM 676 CZ PHE H 67 3.456 7.460 27.214 1.00 29.97 C ATOM 677 H PHE H 67 3.450 12.987 26.617 1.00 0.00 H ATOM 678 N THR H 68 7.610 13.195 27.227 1.00 29.75 N ATOM 679 CA THR H 68 8.677 14.080 26.747 1.00 31.37 C ATOM 680 C THR H 68 9.932 13.291 26.304 1.00 30.31 C ATOM 681 O THR H 68 10.496 12.523 27.072 1.00 29.87 O ATOM 682 CB THR H 68 9.080 15.118 27.838 1.00 31.98 C ATOM 683 OG1 THR H 68 7.955 15.945 28.088 1.00 33.92 O ATOM 684 CG2 THR H 68 10.243 15.951 27.401 1.00 32.98 C ATOM 685 HG1 THR H 68 7.201 15.387 28.406 1.00 0.00 H ATOM 686 H THR H 68 7.849 12.444 27.905 1.00 0.00 H ATOM 687 N ILE H 69 10.352 13.529 25.069 1.00 30.43 N ATOM 688 CA ILE H 69 11.569 12.935 24.530 1.00 30.85 C ATOM 689 C ILE H 69 12.691 13.946 24.621 1.00 31.56 C ATOM 690 O ILE H 69 12.491 15.156 24.396 1.00 29.17 O ATOM 691 CB ILE H 69 11.390 12.395 23.071 1.00 31.99 C ATOM 692 CG1 ILE H 69 12.532 11.423 22.708 1.00 28.75 C ATOM 693 CG2 ILE H 69 11.290 13.544 22.067 1.00 34.94 C ATOM 694 CD1 ILE H 69 12.498 10.921 21.289 1.00 29.93 C ATOM 695 H ILE H 69 9.793 14.163 24.463 1.00 0.00 H ATOM 696 N SER H 70 13.885 13.444 24.961 1.00 30.42 N ATOM 697 CA SER H 70 15.041 14.309 25.051 1.00 31.63 C ATOM 698 C SER H 70 16.269 13.497 24.774 1.00 31.92 C ATOM 699 O SER H 70 16.195 12.261 24.652 1.00 33.71 O ATOM 700 CB SER H 70 15.088 14.962 26.440 1.00 34.72 C ATOM 701 OG SER H 70 15.207 13.987 27.496 1.00 30.40 O ATOM 702 HG SER H 70 15.234 14.451 28.370 1.00 0.00 H ATOM 703 H SER H 70 13.982 12.428 25.161 1.00 0.00 H ATOM 704 N ARG H 71 17.390 14.160 24.572 1.00 31.18 N ATOM 705 CA ARG H 71 18.644 13.443 24.307 1.00 32.38 C ATOM 706 C ARG H 71 19.832 14.114 24.950 1.00 35.06 C ATOM 707 O ARG H 71 19.808 15.334 25.246 1.00 36.68 O ATOM 708 CB ARG H 71 18.897 13.304 22.808 1.00 33.69 C ATOM 709 CG ARG H 71 19.165 14.594 22.063 1.00 35.98 C ATOM 710 CD ARG H 71 19.037 14.408 20.539 1.00 35.79 C ATOM 711 NE ARG H 71 20.111 13.598 19.936 1.00 35.71 N ATOM 712 CZ ARG H 71 20.051 13.018 18.715 1.00 34.98 C ATOM 713 NH1 ARG H 71 18.980 13.127 17.936 1.00 34.55 N ATOM 714 NH2 ARG H 71 21.075 12.316 18.268 1.00 33.63 N ATOM 715 HE ARG H 71 20.980 13.462 20.491 1.00 0.00 H ATOM 716 HH12 ARG H 71 18.967 12.668 17.003 1.00 0.00 H ATOM 717 HH11 ARG H 71 18.155 13.671 18.260 1.00 0.00 H ATOM 718 HH22 ARG H 71 21.030 11.870 17.330 1.00 0.00 H ATOM 719 HH21 ARG H 71 21.927 12.209 18.854 1.00 0.00 H ATOM 720 H ARG H 71 17.387 15.200 24.601 1.00 0.00 H ATOM 721 N ASP H 72 20.858 13.318 25.203 1.00 33.01 N ATOM 722 CA ASP H 72 22.145 13.866 25.681 1.00 38.43 C ATOM 723 C ASP H 72 23.277 13.322 24.843 1.00 35.70 C ATOM 724 O ASP H 72 23.725 12.211 25.063 1.00 39.42 O ATOM 725 CB ASP H 72 22.337 13.493 27.158 1.00 38.13 C ATOM 726 CG ASP H 72 23.633 14.000 27.734 1.00 42.55 C ATOM 727 OD1 ASP H 72 24.545 14.358 26.952 1.00 42.29 O ATOM 728 OD2 ASP H 72 23.723 14.047 28.993 1.00 46.35 O ATOM 729 H ASP H 72 20.758 12.292 25.064 1.00 0.00 H ATOM 730 N ASP H 73 23.744 14.094 23.883 1.00 36.42 N ATOM 731 CA ASP H 73 24.740 13.593 22.933 1.00 41.76 C ATOM 732 C ASP H 73 26.090 13.210 23.535 1.00 44.34 C ATOM 733 O ASP H 73 26.704 12.205 23.126 1.00 44.86 O ATOM 734 CB ASP H 73 24.937 14.590 21.784 1.00 41.87 C ATOM 735 CG ASP H 73 23.752 14.613 20.854 1.00 42.67 C ATOM 736 OD1 ASP H 73 23.158 13.530 20.660 1.00 44.30 O ATOM 737 OD2 ASP H 73 23.398 15.697 20.328 1.00 47.01 O ATOM 738 H ASP H 73 23.401 15.072 23.799 1.00 0.00 H ATOM 739 N SER H 74 26.564 13.969 24.516 1.00 44.88 N ATOM 740 CA SER H 74 27.835 13.594 25.127 1.00 46.15 C ATOM 741 C SER H 74 27.680 12.304 25.938 1.00 44.63 C ATOM 742 O SER H 74 28.687 11.684 26.273 1.00 48.42 O ATOM 743 CB SER H 74 28.399 14.698 25.990 1.00 47.99 C ATOM 744 OG SER H 74 27.604 14.822 27.129 1.00 50.08 O ATOM 745 HG SER H 74 26.677 15.043 26.861 1.00 0.00 H ATOM 746 H SER H 74 26.043 14.809 24.840 1.00 0.00 H ATOM 747 N LYS H 75 26.434 11.896 26.222 1.00 42.04 N ATOM 748 CA LYS H 75 26.131 10.564 26.810 1.00 41.93 C ATOM 749 C LYS H 75 25.632 9.497 25.825 1.00 38.69 C ATOM 750 O LYS H 75 25.397 8.346 26.244 1.00 37.79 O ATOM 751 CB LYS H 75 25.099 10.677 27.937 1.00 45.51 C ATOM 752 CG LYS H 75 25.585 11.413 29.168 1.00 49.51 C ATOM 753 CD LYS H 75 24.550 11.361 30.279 1.00 50.89 C ATOM 754 CE LYS H 75 24.522 10.008 30.947 1.00 48.26 C ATOM 755 NZ LYS H 75 23.872 10.185 32.254 1.00 48.44 N ATOM 756 HZ1 LYS H 75 24.418 10.864 32.822 1.00 0.00 H ATOM 757 HZ2 LYS H 75 22.907 10.546 32.114 1.00 0.00 H ATOM 758 HZ3 LYS H 75 23.833 9.270 32.747 1.00 0.00 H ATOM 759 H LYS H 75 25.643 12.541 26.022 1.00 0.00 H ATOM 760 N SER H 76 25.509 9.838 24.548 1.00 36.13 N ATOM 761 CA SER H 76 24.953 8.923 23.554 1.00 37.20 C ATOM 762 C SER H 76 23.567 8.388 23.934 1.00 33.76 C ATOM 763 O SER H 76 23.259 7.227 23.679 1.00 32.52 O ATOM 764 CB SER H 76 25.890 7.716 23.329 1.00 39.16 C ATOM 765 OG SER H 76 27.115 8.078 22.735 1.00 42.40 O ATOM 766 HG SER H 76 27.674 7.270 22.615 1.00 0.00 H ATOM 767 H SER H 76 25.817 10.784 24.246 1.00 0.00 H ATOM 768 N SER H 77 22.759 9.226 24.570 1.00 33.29 N ATOM 769 CA SER H 77 21.491 8.801 25.179 1.00 34.22 C ATOM 770 C SER H 77 20.242 9.576 24.742 1.00 31.30 C ATOM 771 O SER H 77 20.278 10.755 24.374 1.00 29.68 O ATOM 772 CB SER H 77 21.572 8.873 26.704 1.00 36.71 C ATOM 773 OG SER H 77 22.538 7.972 27.209 1.00 38.71 O ATOM 774 HG SER H 77 23.426 8.198 26.834 1.00 0.00 H ATOM 775 H SER H 77 23.035 10.226 24.641 1.00 0.00 H ATOM 776 N VAL H 78 19.128 8.858 24.737 1.00 31.27 N ATOM 777 CA VAL H 78 17.840 9.445 24.421 1.00 29.42 C ATOM 778 C VAL H 78 16.937 8.970 25.534 1.00 29.15 C ATOM 779 O VAL H 78 17.171 7.919 26.128 1.00 27.80 O ATOM 780 CB VAL H 78 17.370 9.064 22.983 1.00 30.66 C ATOM 781 CG1 VAL H 78 17.376 7.573 22.765 1.00 33.50 C ATOM 782 CG2 VAL H 78 15.981 9.595 22.702 1.00 30.10 C ATOM 783 H VAL H 78 19.179 7.845 24.966 1.00 0.00 H ATOM 784 N TYR H 79 15.950 9.802 25.846 1.00 27.80 N ATOM 785 CA TYR H 79 15.110 9.627 26.985 1.00 28.16 C ATOM 786 C TYR H 79 13.643 9.816 26.646 1.00 27.02 C ATOM 787 O TYR H 79 13.304 10.511 25.720 1.00 26.98 O ATOM 788 CB TYR H 79 15.495 10.616 28.068 1.00 28.69 C ATOM 789 CG TYR H 79 16.948 10.552 28.466 1.00 30.54 C ATOM 790 CD1 TYR H 79 17.404 9.610 29.396 1.00 33.00 C ATOM 791 CD2 TYR H 79 17.856 11.452 27.954 1.00 33.00 C ATOM 792 CE1 TYR H 79 18.742 9.556 29.768 1.00 33.58 C ATOM 793 CE2 TYR H 79 19.201 11.426 28.330 1.00 36.09 C ATOM 794 CZ TYR H 79 19.635 10.474 29.236 1.00 35.96 C ATOM 795 OH TYR H 79 20.966 10.434 29.573 1.00 39.79 O ATOM 796 HH TYR H 79 21.118 9.705 30.226 1.00 0.00 H ATOM 797 H TYR H 79 15.781 10.622 25.229 1.00 0.00 H ATOM 798 N LEU H 80 12.787 9.130 27.393 1.00 30.48 N ATOM 799 CA LEU H 80 11.342 9.276 27.249 1.00 29.05 C ATOM 800 C LEU H 80 10.757 9.351 28.658 1.00 29.78 C ATOM 801 O LEU H 80 10.717 8.322 29.404 1.00 30.51 O ATOM 802 CB LEU H 80 10.748 8.122 26.457 1.00 27.89 C ATOM 803 CG LEU H 80 9.287 8.364 26.074 1.00 29.77 C ATOM 804 CD1 LEU H 80 9.109 9.567 25.129 1.00 29.03 C ATOM 805 CD2 LEU H 80 8.722 7.084 25.486 1.00 30.92 C ATOM 806 H LEU H 80 13.158 8.467 28.104 1.00 0.00 H ATOM 807 N GLN H 81 10.381 10.566 29.029 1.00 26.32 N ATOM 808 CA GLN H 81 9.716 10.841 30.266 1.00 30.99 C ATOM 809 C GLN H 81 8.239 10.610 30.038 1.00 30.27 C ATOM 810 O GLN H 81 7.640 11.195 29.138 1.00 30.16 O ATOM 811 CB GLN H 81 9.950 12.292 30.727 1.00 35.81 C ATOM 812 CG GLN H 81 9.117 12.651 31.974 1.00 36.86 C ATOM 813 CD GLN H 81 9.512 11.837 33.194 1.00 36.96 C ATOM 814 OE1 GLN H 81 10.695 11.730 33.522 1.00 37.88 O ATOM 815 NE2 GLN H 81 8.532 11.292 33.891 1.00 38.75 N ATOM 816 HE22 GLN H 81 7.546 11.406 33.579 1.00 0.00 H ATOM 817 HE21 GLN H 81 8.746 10.749 34.752 1.00 0.00 H ATOM 818 H GLN H 81 10.579 11.361 28.388 1.00 0.00 H ATOM 819 N MET H 82 7.659 9.705 30.827 1.00 30.00 N ATOM 820 CA MET H 82 6.228 9.372 30.680 1.00 31.09 C ATOM 821 C MET H 82 5.476 9.647 31.973 1.00 32.55 C ATOM 822 O MET H 82 5.685 8.970 32.973 1.00 35.90 O ATOM 823 CB MET H 82 6.057 7.907 30.343 1.00 33.36 C ATOM 824 CG MET H 82 6.929 7.462 29.214 1.00 34.89 C ATOM 825 SD MET H 82 6.462 5.801 28.752 1.00 42.63 S ATOM 826 CE MET H 82 7.513 4.856 29.762 1.00 36.45 C ATOM 827 H MET H 82 8.223 9.226 31.557 1.00 0.00 H ATOM 828 N ASN H 82A 4.316 10.774 31.875 1.00 33.47 N ATOM 829 CA ASN H 82A 3.459 11.156 32.972 1.00 36.19 C ATOM 830 C ASN H 82A 2.057 10.783 32.612 1.00 33.32 C ATOM 831 O ASN H 82A 1.803 10.328 31.504 1.00 32.33 O ATOM 832 CB ASN H 82A 3.549 12.656 33.198 1.00 41.46 C ATOM 833 CG ASN H 82A 4.995 13.138 33.319 1.00 44.61 C ATOM 834 OD1 ASN H 82A 5.817 12.532 33.998 1.00 38.88 O ATOM 835 ND2 ASN H 82A 5.297 14.237 32.655 1.00 48.20 N ATOM 836 HD22 ASN H 82A 4.569 14.720 32.091 1.00 0.00 H ATOM 837 HD21 ASN H 82A 6.263 14.620 32.696 1.00 0.00 H ATOM 838 H ASN H 82A 4.180 11.253 30.962 1.00 0.00 H ATOM 839 N ASN H 82B 1.140 10.424 33.934 1.00 34.46 N ATOM 840 CA ASN H 82B -0.288 10.280 33.719 1.00 36.04 C ATOM 841 C ASN H 82B -0.576 8.985 32.981 1.00 31.29 C ATOM 842 O ASN H 82B -1.136 8.947 31.893 1.00 30.65 O ATOM 843 CB ASN H 82B -0.831 11.479 32.985 1.00 42.25 C ATOM 844 CG ASN H 82B -0.945 12.691 33.885 1.00 49.50 C ATOM 845 OD1 ASN H 82B -1.684 12.656 34.862 1.00 59.09 O ATOM 846 ND2 ASN H 82B -0.225 13.761 33.567 1.00 51.69 N ATOM 847 HD22 ASN H 82B 0.389 13.744 32.728 1.00 0.00 H ATOM 848 HD21 ASN H 82B -0.275 14.616 34.157 1.00 0.00 H ATOM 849 H ASN H 82B 1.564 10.306 34.876 1.00 0.00 H ATOM 850 N LEU H 82C 0.486 7.869 33.196 1.00 28.06 N ATOM 851 CA LEU H 82C 0.349 6.658 32.383 1.00 30.49 C ATOM 852 C LEU H 82C -1.074 6.116 32.445 1.00 28.72 C ATOM 853 O LEU H 82C -1.795 6.354 33.418 1.00 29.46 O ATOM 854 CB LEU H 82C 1.348 5.618 32.876 1.00 27.61 C ATOM 855 CG LEU H 82C 2.728 6.085 32.414 1.00 30.16 C ATOM 856 CD1 LEU H 82C 3.869 5.319 33.029 1.00 30.70 C ATOM 857 CD2 LEU H 82C 2.801 5.953 30.892 1.00 33.32 C ATOM 858 H LEU H 82C 1.258 7.977 33.885 1.00 0.00 H ATOM 859 N ARG H 83 -1.486 5.393 31.431 1.00 28.54 N ATOM 860 CA ARG H 83 -2.758 4.668 31.509 1.00 32.86 C ATOM 861 C ARG H 83 -2.612 3.248 30.992 1.00 30.53 C ATOM 862 O ARG H 83 -1.607 2.911 30.375 1.00 25.51 O ATOM 863 CB ARG H 83 -3.815 5.366 30.684 1.00 39.38 C ATOM 864 CG ARG H 83 -4.081 6.788 31.103 1.00 48.41 C ATOM 865 CD ARG H 83 -4.105 7.651 29.858 1.00 56.01 C ATOM 866 NE ARG H 83 -4.134 9.072 30.159 1.00 62.23 N ATOM 867 CZ ARG H 83 -4.035 10.015 29.229 1.00 67.02 C ATOM 868 NH1 ARG H 83 -3.902 9.659 27.948 1.00 65.53 N ATOM 869 NH2 ARG H 83 -4.077 11.305 29.575 1.00 64.28 N ATOM 870 HE ARG H 83 -4.237 9.365 31.151 1.00 0.00 H ATOM 871 HH12 ARG H 83 -3.824 10.389 27.211 1.00 0.00 H ATOM 872 HH11 ARG H 83 -3.877 8.652 27.688 1.00 0.00 H ATOM 873 HH22 ARG H 83 -3.999 12.042 28.845 1.00 0.00 H ATOM 874 HH21 ARG H 83 -4.187 11.572 30.574 1.00 0.00 H ATOM 875 H ARG H 83 -0.908 5.334 30.568 1.00 0.00 H ATOM 876 N ALA H 84 -3.644 2.436 31.203 1.00 30.53 N ATOM 877 CA ALA H 84 -3.524 0.982 30.860 1.00 37.13 C ATOM 878 C ALA H 84 -3.046 0.773 29.425 1.00 34.25 C ATOM 879 O ALA H 84 -2.210 -0.096 29.126 1.00 34.11 O ATOM 880 CB ALA H 84 -4.854 0.246 31.076 1.00 37.64 C ATOM 881 H ALA H 84 -4.529 2.808 31.604 1.00 0.00 H ATOM 882 N GLU H 85 -3.560 1.613 28.543 1.00 34.68 N ATOM 883 CA GLU H 85 -3.244 1.524 27.130 1.00 36.64 C ATOM 884 C GLU H 85 -1.816 1.987 26.759 1.00 33.81 C ATOM 885 O GLU H 85 -1.435 1.928 25.599 1.00 35.36 O ATOM 886 CB GLU H 85 -4.266 2.341 26.321 1.00 42.98 C ATOM 887 CG GLU H 85 -4.215 3.858 26.564 1.00 44.83 C ATOM 888 CD GLU H 85 -5.224 4.359 27.591 1.00 51.63 C ATOM 889 OE1 GLU H 85 -5.797 3.478 28.344 1.00 46.43 O ATOM 890 OE2 GLU H 85 -5.426 5.638 27.618 1.00 50.26 O ATOM 891 H GLU H 85 -4.208 2.357 28.871 1.00 0.00 H ATOM 892 N ASP H 86 -1.041 2.485 27.700 1.00 29.40 N ATOM 893 CA ASP H 86 0.372 2.702 27.440 1.00 27.34 C ATOM 894 C ASP H 86 1.226 1.449 27.666 1.00 28.19 C ATOM 895 O ASP H 86 2.443 1.467 27.445 1.00 29.84 O ATOM 896 CB ASP H 86 0.847 3.828 28.331 1.00 25.42 C ATOM 897 CG ASP H 86 0.118 5.149 28.031 1.00 28.79 C ATOM 898 OD1 ASP H 86 0.069 5.656 26.864 1.00 29.01 O ATOM 899 OD2 ASP H 86 -0.383 5.708 29.000 1.00 27.82 O ATOM 900 H ASP H 86 -1.441 2.723 28.630 1.00 0.00 H ATOM 901 N THR H 87 0.624 0.377 28.181 1.00 29.83 N ATOM 902 CA THR H 87 1.327 -0.898 28.392 1.00 27.96 C ATOM 903 C THR H 87 1.933 -1.391 27.090 1.00 31.11 C ATOM 904 O THR H 87 1.265 -1.395 26.061 1.00 31.98 O ATOM 905 CB THR H 87 0.385 -1.925 28.982 1.00 30.78 C ATOM 906 OG1 THR H 87 0.009 -1.474 30.289 1.00 32.32 O ATOM 907 CG2 THR H 87 1.011 -3.349 29.079 1.00 33.60 C ATOM 908 HG1 THR H 87 -0.441 -0.595 30.217 1.00 0.00 H ATOM 909 H THR H 87 -0.380 0.444 28.443 1.00 0.00 H ATOM 910 N GLY H 88 3.209 -1.773 27.121 1.00 27.26 N ATOM 911 CA GLY H 88 3.827 -2.412 25.970 1.00 27.14 C ATOM 912 C GLY H 88 5.315 -2.503 26.109 1.00 28.44 C ATOM 913 O GLY H 88 5.899 -2.174 27.164 1.00 27.05 O ATOM 914 H GLY H 88 3.771 -1.612 27.981 1.00 0.00 H ATOM 915 N ILE H 89 5.964 -2.885 25.022 1.00 28.80 N ATOM 916 CA ILE H 89 7.406 -2.861 24.973 1.00 27.47 C ATOM 917 C ILE H 89 7.823 -1.637 24.179 1.00 26.74 C ATOM 918 O ILE H 89 7.419 -1.450 23.025 1.00 25.68 O ATOM 919 CB ILE H 89 7.980 -4.127 24.332 1.00 29.68 C ATOM 920 CG1 ILE H 89 7.308 -5.348 24.905 1.00 34.03 C ATOM 921 CG2 ILE H 89 9.480 -4.173 24.544 1.00 31.34 C ATOM 922 CD1 ILE H 89 7.643 -6.629 24.180 1.00 36.45 C ATOM 923 H ILE H 89 5.428 -3.207 24.191 1.00 0.00 H ATOM 924 N TYR H 90 8.670 -0.823 24.796 1.00 28.04 N ATOM 925 CA TYR H 90 9.144 0.403 24.208 1.00 25.75 C ATOM 926 C TYR H 90 10.549 0.202 23.639 1.00 28.39 C ATOM 927 O TYR H 90 11.419 -0.342 24.295 1.00 28.14 O ATOM 928 CB TYR H 90 9.165 1.487 25.285 1.00 26.28 C ATOM 929 CG TYR H 90 7.775 2.004 25.606 1.00 27.01 C ATOM 930 CD1 TYR H 90 6.839 1.200 26.260 1.00 27.48 C ATOM 931 CD2 TYR H 90 7.384 3.281 25.224 1.00 25.57 C ATOM 932 CE1 TYR H 90 5.538 1.669 26.518 1.00 27.23 C ATOM 933 CE2 TYR H 90 6.077 3.746 25.465 1.00 25.59 C ATOM 934 CZ TYR H 90 5.166 2.955 26.120 1.00 25.23 C ATOM 935 OH TYR H 90 3.854 3.448 26.353 1.00 25.33 O ATOM 936 HH TYR H 90 3.325 2.762 26.832 1.00 0.00 H ATOM 937 H TYR H 90 9.006 -1.082 25.746 1.00 0.00 H ATOM 938 N TYR H 91 10.795 0.731 22.449 1.00 27.35 N ATOM 939 CA TYR H 91 12.108 0.619 21.811 1.00 27.48 C ATOM 940 C TYR H 91 12.579 2.009 21.399 1.00 27.20 C ATOM 941 O TYR H 91 11.767 2.810 20.955 1.00 25.66 O ATOM 942 CB TYR H 91 11.984 -0.245 20.542 1.00 27.17 C ATOM 943 CG TYR H 91 11.446 -1.664 20.743 1.00 25.97 C ATOM 944 CD1 TYR H 91 10.088 -1.932 20.742 1.00 26.30 C ATOM 945 CD2 TYR H 91 12.318 -2.746 20.877 1.00 29.14 C ATOM 946 CE1 TYR H 91 9.620 -3.232 20.922 1.00 28.14 C ATOM 947 CE2 TYR H 91 11.860 -4.048 21.057 1.00 28.24 C ATOM 948 CZ TYR H 91 10.525 -4.290 21.069 1.00 30.70 C ATOM 949 OH TYR H 91 10.086 -5.607 21.271 1.00 37.29 O ATOM 950 HH TYR H 91 10.442 -6.186 20.552 1.00 0.00 H ATOM 951 H TYR H 91 10.034 1.240 21.955 1.00 0.00 H ATOM 952 N CYS H 92 13.877 2.292 21.521 1.00 28.49 N ATOM 953 CA CYS H 92 14.506 3.458 20.830 1.00 30.80 C ATOM 954 C CYS H 92 15.023 2.900 19.500 1.00 28.90 C ATOM 955 O CYS H 92 15.566 1.799 19.433 1.00 26.68 O ATOM 956 CB CYS H 92 15.689 4.087 21.598 1.00 34.33 C ATOM 957 SG CYS H 92 16.734 2.730 22.235 1.00 51.39 S ATOM 958 H CYS H 92 14.471 1.681 22.117 1.00 0.00 H ATOM 959 N THR H 93 14.873 3.667 18.439 1.00 27.08 N ATOM 960 CA THR H 93 15.218 3.170 17.137 1.00 27.41 C ATOM 961 C THR H 93 15.514 4.351 16.264 1.00 27.36 C ATOM 962 O THR H 93 14.965 5.462 16.462 1.00 29.36 O ATOM 963 CB THR H 93 14.094 2.198 16.573 1.00 26.24 C ATOM 964 OG1 THR H 93 14.363 1.807 15.224 1.00 29.48 O ATOM 965 CG2 THR H 93 12.726 2.792 16.643 1.00 28.00 C ATOM 966 HG1 THR H 93 15.232 1.335 15.186 1.00 0.00 H ATOM 967 H THR H 93 14.504 4.634 18.545 1.00 0.00 H ATOM 968 N GLY H 94 16.466 4.153 15.375 1.00 26.82 N ATOM 969 CA GLY H 94 16.760 5.166 14.373 1.00 27.37 C ATOM 970 C GLY H 94 17.695 4.676 13.298 1.00 29.79 C ATOM 971 O GLY H 94 18.048 3.449 13.236 1.00 28.76 O ATOM 972 H GLY H 94 17.011 3.267 15.390 1.00 0.00 H ATOM 973 N VAL H 95 18.113 5.639 12.467 1.00 27.58 N ATOM 974 CA VAL H 95 19.104 5.440 11.387 1.00 30.51 C ATOM 975 C VAL H 95 18.487 4.828 10.138 1.00 32.58 C ATOM 976 O VAL H 95 18.150 3.652 10.119 1.00 30.74 O ATOM 977 CB VAL H 95 20.322 4.568 11.801 1.00 31.07 C ATOM 978 CG1 VAL H 95 21.356 4.453 10.662 1.00 35.34 C ATOM 979 CG2 VAL H 95 20.991 5.176 13.014 1.00 33.02 C ATOM 980 H VAL H 95 17.714 6.592 12.589 1.00 0.00 H ATOM 981 N GLY H 96 18.321 5.665 9.125 1.00 30.95 N ATOM 982 CA GLY H 96 17.949 5.261 7.774 1.00 33.03 C ATOM 983 C GLY H 96 16.749 4.375 7.442 1.00 31.19 C ATOM 984 O GLY H 96 16.916 3.520 6.574 1.00 36.66 O ATOM 985 H GLY H 96 18.466 6.679 9.305 1.00 0.00 H ATOM 986 N GLN H 97 15.555 4.526 8.042 1.00 28.22 N ATOM 987 CA GLN H 97 15.264 5.394 9.180 1.00 27.32 C ATOM 988 C GLN H 97 15.000 4.588 10.469 1.00 27.54 C ATOM 989 O GLN H 97 14.909 5.187 11.525 1.00 28.46 O ATOM 990 CB GLN H 97 14.050 6.263 8.857 1.00 28.23 C ATOM 991 CG GLN H 97 14.277 7.414 7.896 1.00 28.92 C ATOM 992 CD GLN H 97 14.549 6.958 6.474 1.00 32.14 C ATOM 993 OE1 GLN H 97 13.814 6.121 5.882 1.00 27.17 O ATOM 994 NE2 GLN H 97 15.604 7.513 5.897 1.00 34.81 N ATOM 995 HE22 GLN H 97 16.183 8.199 6.422 1.00 0.00 H ATOM 996 HE21 GLN H 97 15.853 7.263 4.919 1.00 0.00 H ATOM 997 H GLN H 97 14.763 3.972 7.659 1.00 0.00 H ATOM 998 N PHE H 98 14.899 3.246 10.392 1.00 26.55 N ATOM 999 CA PHE H 98 14.685 2.388 11.567 1.00 25.40 C ATOM 1000 C PHE H 98 15.586 1.189 11.422 1.00 25.13 C ATOM 1001 O PHE H 98 15.219 0.063 11.688 1.00 28.31 O ATOM 1002 CB PHE H 98 13.238 1.911 11.681 1.00 29.10 C ATOM 1003 CG PHE H 98 12.253 3.031 11.831 1.00 32.02 C ATOM 1004 CD1 PHE H 98 11.991 3.571 13.073 1.00 28.82 C ATOM 1005 CD2 PHE H 98 11.688 3.635 10.713 1.00 31.45 C ATOM 1006 CE1 PHE H 98 11.120 4.620 13.183 1.00 29.04 C ATOM 1007 CE2 PHE H 98 10.825 4.728 10.828 1.00 30.79 C ATOM 1008 CZ PHE H 98 10.526 5.199 12.079 1.00 27.90 C ATOM 1009 H PHE H 98 14.976 2.796 9.457 1.00 0.00 H ATOM 1010 N ALA H 101 17.023 1.364 10.910 1.00 27.11 N ATOM 1011 CA ALA H 101 18.013 0.329 10.826 1.00 27.73 C ATOM 1012 C ALA H 101 18.164 -0.335 12.186 1.00 28.05 C ATOM 1013 O ALA H 101 18.105 -1.575 12.297 1.00 28.44 O ATOM 1014 CB ALA H 101 19.318 0.919 10.338 1.00 26.64 C ATOM 1015 H ALA H 101 17.303 2.315 10.597 1.00 0.00 H ATOM 1016 N TYR H 102 18.278 0.472 13.248 1.00 29.19 N ATOM 1017 CA TYR H 102 18.651 -0.084 14.553 1.00 29.65 C ATOM 1018 C TYR H 102 17.605 0.077 15.619 1.00 26.95 C ATOM 1019 O TYR H 102 16.974 1.115 15.719 1.00 26.79 O ATOM 1020 CB TYR H 102 19.957 0.533 15.063 1.00 34.47 C ATOM 1021 CG TYR H 102 21.057 0.599 14.049 1.00 38.55 C ATOM 1022 CD1 TYR H 102 21.513 -0.552 13.403 1.00 43.15 C ATOM 1023 CD2 TYR H 102 21.672 1.801 13.752 1.00 44.05 C ATOM 1024 CE1 TYR H 102 22.545 -0.495 12.466 1.00 45.09 C ATOM 1025 CE2 TYR H 102 22.688 1.868 12.813 1.00 50.68 C ATOM 1026 CZ TYR H 102 23.123 0.718 12.177 1.00 48.82 C ATOM 1027 OH TYR H 102 24.147 0.813 11.255 1.00 57.61 O ATOM 1028 HH TYR H 102 24.344 -0.085 10.889 1.00 0.00 H ATOM 1029 H TYR H 102 18.102 1.492 13.148 1.00 0.00 H ATOM 1030 N TRP H 103 17.482 -0.964 16.438 1.00 27.39 N ATOM 1031 CA TRP H 103 16.495 -1.078 17.464 1.00 27.07 C ATOM 1032 C TRP H 103 17.157 -1.629 18.690 1.00 30.92 C ATOM 1033 O TRP H 103 18.035 -2.493 18.549 1.00 27.22 O ATOM 1034 CB TRP H 103 15.422 -2.083 17.019 1.00 29.37 C ATOM 1035 CG TRP H 103 14.566 -1.563 15.920 1.00 26.39 C ATOM 1036 CD1 TRP H 103 14.955 -1.287 14.693 1.00 27.74 C ATOM 1037 CD2 TRP H 103 13.198 -1.211 16.004 1.00 23.87 C ATOM 1038 NE1 TRP H 103 13.935 -0.789 13.963 1.00 27.30 N ATOM 1039 CE2 TRP H 103 12.820 -0.754 14.749 1.00 25.22 C ATOM 1040 CE3 TRP H 103 12.250 -1.271 17.009 1.00 25.02 C ATOM 1041 CZ2 TRP H 103 11.544 -0.346 14.458 1.00 25.25 C ATOM 1042 CZ3 TRP H 103 10.957 -0.851 16.726 1.00 25.37 C ATOM 1043 CH2 TRP H 103 10.631 -0.377 15.460 1.00 25.71 C ATOM 1044 HE1 TRP H 103 13.989 -0.484 12.970 1.00 0.00 H ATOM 1045 H TRP H 103 18.152 -1.751 16.323 1.00 0.00 H ATOM 1046 N GLY H 104 16.751 -1.124 19.873 1.00 31.66 N ATOM 1047 CA GLY H 104 17.144 -1.718 21.150 1.00 32.85 C ATOM 1048 C GLY H 104 16.466 -3.062 21.451 1.00 34.66 C ATOM 1049 O GLY H 104 15.661 -3.577 20.672 1.00 33.63 O ATOM 1050 H GLY H 104 16.138 -0.284 19.877 1.00 0.00 H ATOM 1051 N GLN H 105 16.804 -3.666 22.571 1.00 32.59 N ATOM 1052 CA GLN H 105 16.179 -4.938 22.923 1.00 34.92 C ATOM 1053 C GLN H 105 14.738 -4.755 23.362 1.00 33.70 C ATOM 1054 O GLN H 105 13.995 -5.704 23.378 1.00 30.88 O ATOM 1055 CB GLN H 105 16.984 -5.719 23.986 1.00 35.75 C ATOM 1056 CG GLN H 105 16.886 -5.268 25.436 1.00 41.27 C ATOM 1057 CD GLN H 105 17.355 -3.832 25.624 1.00 41.39 C ATOM 1058 OE1 GLN H 105 18.223 -3.359 24.889 1.00 39.44 O ATOM 1059 NE2 GLN H 105 16.794 -3.142 26.619 1.00 43.12 N ATOM 1060 HE22 GLN H 105 16.064 -3.586 27.213 1.00 0.00 H ATOM 1061 HE21 GLN H 105 17.086 -2.161 26.801 1.00 0.00 H ATOM 1062 H GLN H 105 17.512 -3.239 23.202 1.00 0.00 H ATOM 1063 N GLY H 106 14.366 -3.518 23.684 1.00 35.13 N ATOM 1064 CA GLY H 106 13.051 -3.192 24.223 1.00 35.42 C ATOM 1065 C GLY H 106 13.071 -3.215 25.749 1.00 36.51 C ATOM 1066 O GLY H 106 13.727 -4.091 26.351 1.00 35.03 O ATOM 1067 H GLY H 106 15.048 -2.745 23.544 1.00 0.00 H ATOM 1068 N THR H 107 12.386 -2.243 26.368 1.00 34.98 N ATOM 1069 CA THR H 107 12.103 -2.283 27.820 1.00 31.38 C ATOM 1070 C THR H 107 10.571 -2.355 28.049 1.00 31.68 C ATOM 1071 O THR H 107 9.821 -1.521 27.493 1.00 28.10 O ATOM 1072 CB THR H 107 12.742 -1.055 28.543 1.00 33.02 C ATOM 1073 OG1 THR H 107 12.692 -1.221 29.975 1.00 32.40 O ATOM 1074 CG2 THR H 107 12.073 0.288 28.187 1.00 31.35 C ATOM 1075 HG1 THR H 107 13.102 -0.433 30.412 1.00 0.00 H ATOM 1076 H THR H 107 12.043 -1.435 25.810 1.00 0.00 H ATOM 1077 N THR H 108 10.118 -3.294 28.892 1.00 28.65 N ATOM 1078 CA THR H 108 8.690 -3.502 29.135 1.00 29.34 C ATOM 1079 C THR H 108 8.100 -2.545 30.170 1.00 29.91 C ATOM 1080 O THR H 108 8.707 -2.276 31.216 1.00 27.94 O ATOM 1081 CB THR H 108 8.394 -4.965 29.499 1.00 34.30 C ATOM 1082 OG1 THR H 108 8.815 -5.784 28.407 1.00 32.98 O ATOM 1083 CG2 THR H 108 6.859 -5.222 29.747 1.00 34.29 C ATOM 1084 HG1 THR H 108 8.634 -6.734 28.619 1.00 0.00 H ATOM 1085 H THR H 108 10.805 -3.895 29.390 1.00 0.00 H ATOM 1086 N VAL H 109 6.940 -1.985 29.821 1.00 26.87 N ATOM 1087 CA VAL H 109 6.212 -1.073 30.677 1.00 28.03 C ATOM 1088 C VAL H 109 4.830 -1.690 30.852 1.00 30.82 C ATOM 1089 O VAL H 109 4.081 -1.862 29.897 1.00 30.85 O ATOM 1090 CB VAL H 109 6.065 0.332 30.051 1.00 30.33 C ATOM 1091 CG1 VAL H 109 5.150 1.225 30.877 1.00 32.22 C ATOM 1092 CG2 VAL H 109 7.414 0.983 29.861 1.00 31.84 C ATOM 1093 H VAL H 109 6.540 -2.215 28.889 1.00 0.00 H ATOM 1094 N THR H 110 4.500 -2.059 32.083 1.00 29.05 N ATOM 1095 CA THR H 110 3.201 -2.533 32.376 1.00 28.18 C ATOM 1096 C THR H 110 2.525 -1.555 33.293 1.00 31.18 C ATOM 1097 O THR H 110 3.031 -1.320 34.385 1.00 30.74 O ATOM 1098 CB THR H 110 3.322 -3.881 33.070 1.00 27.23 C ATOM 1099 OG1 THR H 110 4.071 -4.716 32.198 1.00 27.98 O ATOM 1100 CG2 THR H 110 1.981 -4.428 33.299 1.00 28.88 C ATOM 1101 HG1 THR H 110 4.177 -5.610 32.609 1.00 0.00 H ATOM 1102 H THR H 110 5.207 -1.999 32.843 1.00 0.00 H ATOM 1103 N VAL H 111 1.361 -1.043 32.867 1.00 31.85 N ATOM 1104 CA VAL H 111 0.561 -0.159 33.676 1.00 32.29 C ATOM 1105 C VAL H 111 -0.687 -0.847 34.166 1.00 34.67 C ATOM 1106 O VAL H 111 -1.601 -1.032 33.378 1.00 38.34 O ATOM 1107 CB VAL H 111 0.135 1.061 32.869 1.00 32.46 C ATOM 1108 CG1 VAL H 111 -0.454 2.090 33.799 1.00 33.08 C ATOM 1109 CG2 VAL H 111 1.316 1.646 32.127 1.00 31.54 C ATOM 1110 H VAL H 111 1.023 -1.294 31.916 1.00 0.00 H ATOM 1111 N SER H 112 -0.741 -1.176 35.455 1.00 36.56 N ATOM 1112 CA SER H 112 -1.741 -2.116 36.007 1.00 42.76 C ATOM 1113 C SER H 112 -2.306 -1.725 37.390 1.00 42.82 C ATOM 1114 O SER H 112 -1.568 -1.597 38.347 1.00 46.16 O ATOM 1115 CB SER H 112 -1.129 -3.528 36.101 1.00 45.34 C ATOM 1116 OG SER H 112 -2.094 -4.503 36.478 1.00 47.43 O ATOM 1117 HG SER H 112 -1.661 -5.392 36.527 1.00 0.00 H ATOM 1118 H SER H 112 -0.048 -0.752 36.104 1.00 0.00 H TER 1119 SER H 112 ATOM 1120 N VAL H1004 -4.419 5.246 7.206 1.00 47.35 N ATOM 1121 CA VAL H1004 -4.181 3.847 7.657 1.00 42.69 C ATOM 1122 C VAL H1004 -3.191 3.199 6.693 1.00 39.57 C ATOM 1123 O VAL H1004 -3.120 3.504 5.501 1.00 35.85 O ATOM 1124 CB VAL H1004 -5.434 2.922 7.820 1.00 44.26 C ATOM 1125 CG1 VAL H1004 -5.479 2.321 9.222 1.00 52.05 C ATOM 1126 CG2 VAL H1004 -6.767 3.608 7.543 1.00 50.39 C ATOM 1127 HN3 VAL H1004 -4.811 5.236 6.243 1.00 0.00 H ATOM 1128 HN2 VAL H1004 -3.520 5.768 7.211 1.00 0.00 H ATOM 1129 HN1 VAL H1004 -5.092 5.707 7.851 1.00 0.00 H ATOM 1130 N VAL H1005 -2.425 2.273 7.235 1.00 35.65 N ATOM 1131 CA VAL H1005 -1.425 1.613 6.462 1.00 32.81 C ATOM 1132 C VAL H1005 -1.786 0.157 6.532 1.00 34.79 C ATOM 1133 O VAL H1005 -1.875 -0.387 7.631 1.00 33.53 O ATOM 1134 CB VAL H1005 -0.042 1.889 7.052 1.00 32.35 C ATOM 1135 CG1 VAL H1005 1.009 0.967 6.461 1.00 33.52 C ATOM 1136 CG2 VAL H1005 0.329 3.366 6.828 1.00 36.39 C ATOM 1137 H VAL H1005 -2.551 2.021 8.236 1.00 0.00 H ATOM 1138 N THR H1006 -1.957 -0.463 5.349 1.00 33.19 N ATOM 1139 CA THR H1006 -2.468 -1.811 5.195 1.00 31.11 C ATOM 1140 C THR H1006 -1.425 -2.757 4.618 1.00 26.64 C ATOM 1141 O THR H1006 -0.836 -2.480 3.601 1.00 26.52 O ATOM 1142 CB THR H1006 -3.695 -1.776 4.243 1.00 35.85 C ATOM 1143 OG1 THR H1006 -4.695 -0.926 4.810 1.00 40.49 O ATOM 1144 CG2 THR H1006 -4.323 -3.195 4.017 1.00 39.38 C ATOM 1145 HG1 THR H1006 -4.328 -0.013 4.918 1.00 0.00 H ATOM 1146 H THR H1006 -1.705 0.061 4.487 1.00 0.00 H ATOM 1147 N GLN H1007 -1.239 -3.885 5.283 1.00 28.24 N ATOM 1148 CA GLN H1007 -0.347 -4.982 4.863 1.00 28.10 C ATOM 1149 C GLN H1007 -1.125 -6.294 4.758 1.00 27.29 C ATOM 1150 O GLN H1007 -2.142 -6.477 5.393 1.00 26.94 O ATOM 1151 CB GLN H1007 0.796 -5.143 5.871 1.00 27.58 C ATOM 1152 CG GLN H1007 1.734 -3.942 5.867 1.00 28.33 C ATOM 1153 CD GLN H1007 2.841 -4.143 6.866 1.00 28.95 C ATOM 1154 OE1 GLN H1007 2.924 -3.467 7.926 1.00 25.60 O ATOM 1155 NE2 GLN H1007 3.667 -5.118 6.583 1.00 26.22 N ATOM 1156 HE22 GLN H1007 3.560 -5.649 5.695 1.00 0.00 H ATOM 1157 HE21 GLN H1007 4.430 -5.362 7.246 1.00 0.00 H ATOM 1158 H GLN H1007 -1.763 -4.008 6.173 1.00 0.00 H ATOM 1159 N GLU H1008 -0.611 -7.218 3.990 1.00 27.53 N ATOM 1160 CA GLU H1008 -1.128 -8.592 4.011 1.00 28.08 C ATOM 1161 C GLU H1008 -1.118 -9.151 5.417 1.00 28.50 C ATOM 1162 O GLU H1008 -0.164 -8.942 6.176 1.00 29.13 O ATOM 1163 CB GLU H1008 -0.251 -9.511 3.179 1.00 26.80 C ATOM 1164 CG GLU H1008 -0.329 -9.286 1.703 1.00 30.57 C ATOM 1165 CD GLU H1008 0.541 -8.151 1.235 1.00 32.78 C ATOM 1166 OE1 GLU H1008 1.386 -7.644 2.036 1.00 35.20 O ATOM 1167 OE2 GLU H1008 0.391 -7.759 0.063 1.00 35.05 O ATOM 1168 H GLU H1008 0.176 -6.976 3.354 1.00 0.00 H ATOM 1169 N SER H1009 -2.131 -9.908 5.783 1.00 27.98 N ATOM 1170 CA SER H1009 -2.133 -10.472 7.137 1.00 29.86 C ATOM 1171 C SER H1009 -1.072 -11.555 7.324 1.00 29.00 C ATOM 1172 O SER H1009 -0.257 -11.502 8.266 1.00 28.81 O ATOM 1173 CB SER H1009 -3.500 -11.050 7.515 1.00 33.19 C ATOM 1174 OG SER H1009 -4.522 -10.093 7.330 1.00 38.58 O ATOM 1175 HG SER H1009 -4.545 -9.816 6.380 1.00 0.00 H ATOM 1176 H SER H1009 -2.913 -10.102 5.126 1.00 0.00 H ATOM 1177 N ALA H1010 -1.078 -12.542 6.432 1.00 28.33 N ATOM 1178 CA ALA H1010 -0.139 -13.649 6.580 1.00 30.05 C ATOM 1179 C ALA H1010 0.206 -14.259 5.254 1.00 29.78 C ATOM 1180 O ALA H1010 -0.646 -14.315 4.371 1.00 29.85 O ATOM 1181 CB ALA H1010 -0.719 -14.730 7.500 1.00 30.50 C ATOM 1182 H ALA H1010 -1.747 -12.525 5.636 1.00 0.00 H ATOM 1183 N LEU H1011 1.444 -14.739 5.158 1.00 29.50 N ATOM 1184 CA LEU H1011 1.966 -15.393 3.945 1.00 28.73 C ATOM 1185 C LEU H1011 2.817 -16.623 4.329 1.00 26.50 C ATOM 1186 O LEU H1011 3.459 -16.633 5.357 1.00 24.18 O ATOM 1187 CB LEU H1011 2.779 -14.390 3.139 1.00 27.11 C ATOM 1188 CG LEU H1011 2.058 -13.198 2.559 1.00 31.88 C ATOM 1189 CD1 LEU H1011 3.107 -12.284 1.927 1.00 32.31 C ATOM 1190 CD2 LEU H1011 1.030 -13.588 1.481 1.00 32.75 C ATOM 1191 H LEU H1011 2.074 -14.648 5.980 1.00 0.00 H ATOM 1192 N THR H1012 2.769 -17.668 3.509 1.00 26.86 N ATOM 1193 CA THR H1012 3.559 -18.867 3.725 1.00 29.51 C ATOM 1194 C THR H1012 4.465 -19.053 2.554 1.00 28.66 C ATOM 1195 O THR H1012 4.060 -18.864 1.381 1.00 30.89 O ATOM 1196 CB THR H1012 2.686 -20.097 3.896 1.00 29.29 C ATOM 1197 OG1 THR H1012 1.833 -19.884 5.004 1.00 35.00 O ATOM 1198 CG2 THR H1012 3.487 -21.281 4.152 1.00 30.00 C ATOM 1199 HG1 THR H1012 1.255 -20.678 5.131 1.00 0.00 H ATOM 1200 H THR H1012 2.141 -17.625 2.681 1.00 0.00 H ATOM 1201 N THR H1013 5.717 -19.352 2.854 1.00 28.26 N ATOM 1202 CA THR H1013 6.687 -19.587 1.810 1.00 28.26 C ATOM 1203 C THR H1013 7.579 -20.747 2.192 1.00 28.82 C ATOM 1204 O THR H1013 7.378 -21.421 3.197 1.00 27.31 O ATOM 1205 CB THR H1013 7.491 -18.309 1.577 1.00 29.72 C ATOM 1206 OG1 THR H1013 8.249 -18.393 0.371 1.00 29.11 O ATOM 1207 CG2 THR H1013 8.416 -18.064 2.782 1.00 30.69 C ATOM 1208 HG1 THR H1013 8.876 -19.157 0.429 1.00 0.00 H ATOM 1209 H THR H1013 6.006 -19.419 3.851 1.00 0.00 H ATOM 1210 N SER H1014 8.561 -21.014 1.357 1.00 28.88 N ATOM 1211 CA SER H1014 9.587 -21.985 1.732 1.00 32.19 C ATOM 1212 C SER H1014 10.889 -21.585 1.105 1.00 28.51 C ATOM 1213 O SER H1014 10.931 -20.665 0.297 1.00 28.71 O ATOM 1214 CB SER H1014 9.188 -23.444 1.376 1.00 32.36 C ATOM 1215 OG SER H1014 9.085 -23.623 -0.024 1.00 35.42 O ATOM 1216 HG SER H1014 8.395 -23.011 -0.384 1.00 0.00 H ATOM 1217 H SER H1014 8.607 -20.536 0.434 1.00 0.00 H ATOM 1218 N PRO H1015 11.971 -22.227 1.518 1.00 27.66 N ATOM 1219 CA PRO H1015 13.257 -21.704 1.058 1.00 29.20 C ATOM 1220 C PRO H1015 13.412 -21.721 -0.450 1.00 29.52 C ATOM 1221 O PRO H1015 13.010 -22.685 -1.083 1.00 26.09 O ATOM 1222 CB PRO H1015 14.277 -22.601 1.751 1.00 30.78 C ATOM 1223 CG PRO H1015 13.559 -23.102 2.967 1.00 30.80 C ATOM 1224 CD PRO H1015 12.146 -23.326 2.488 1.00 29.33 C ATOM 1225 N GLY H1016 13.884 -20.592 -1.009 1.00 28.02 N ATOM 1226 CA GLY H1016 14.064 -20.487 -2.450 1.00 27.96 C ATOM 1227 C GLY H1016 12.866 -20.028 -3.251 1.00 27.57 C ATOM 1228 O GLY H1016 12.997 -19.831 -4.432 1.00 27.23 O ATOM 1229 H GLY H1016 14.124 -19.782 -0.403 1.00 0.00 H ATOM 1230 N GLU H1017 11.692 -19.892 -2.639 1.00 27.91 N ATOM 1231 CA GLU H1017 10.586 -19.207 -3.255 1.00 28.10 C ATOM 1232 C GLU H1017 10.802 -17.683 -3.173 1.00 28.67 C ATOM 1233 O GLU H1017 11.572 -17.210 -2.369 1.00 31.75 O ATOM 1234 CB GLU H1017 9.266 -19.558 -2.552 1.00 31.45 C ATOM 1235 CG GLU H1017 8.698 -20.962 -2.823 1.00 34.71 C ATOM 1236 CD GLU H1017 7.440 -21.241 -1.973 1.00 38.00 C ATOM 1237 OE1 GLU H1017 6.545 -20.360 -1.972 1.00 33.36 O ATOM 1238 OE2 GLU H1017 7.348 -22.319 -1.294 1.00 35.78 O ATOM 1239 H GLU H1017 11.570 -20.293 -1.687 1.00 0.00 H ATOM 1240 N THR H1018 10.126 -16.919 -4.019 1.00 28.63 N ATOM 1241 CA THR H1018 10.160 -15.458 -3.951 1.00 30.30 C ATOM 1242 C THR H1018 8.838 -14.986 -3.414 1.00 31.32 C ATOM 1243 O THR H1018 7.823 -15.540 -3.738 1.00 32.80 O ATOM 1244 CB THR H1018 10.466 -14.853 -5.306 1.00 32.47 C ATOM 1245 OG1 THR H1018 11.834 -15.154 -5.603 1.00 32.19 O ATOM 1246 CG2 THR H1018 10.282 -13.300 -5.292 1.00 32.97 C ATOM 1247 HG1 THR H1018 12.071 -14.772 -6.485 1.00 0.00 H ATOM 1248 H THR H1018 9.551 -17.374 -4.757 1.00 0.00 H ATOM 1249 N VAL H1019 8.846 -14.038 -2.507 1.00 31.75 N ATOM 1250 CA VAL H1019 7.595 -13.563 -1.937 1.00 32.35 C ATOM 1251 C VAL H1019 7.613 -12.052 -1.885 1.00 28.71 C ATOM 1252 O VAL H1019 8.646 -11.443 -1.713 1.00 27.99 O ATOM 1253 CB VAL H1019 7.320 -14.169 -0.542 1.00 34.29 C ATOM 1254 CG1 VAL H1019 8.327 -13.677 0.477 1.00 36.08 C ATOM 1255 CG2 VAL H1019 5.937 -13.811 -0.080 1.00 36.63 C ATOM 1256 H VAL H1019 9.748 -13.626 -2.195 1.00 0.00 H ATOM 1257 N THR H1020 6.447 -11.462 -2.096 1.00 29.50 N ATOM 1258 CA THR H1020 6.280 -10.046 -2.127 1.00 29.87 C ATOM 1259 C THR H1020 5.261 -9.633 -1.071 1.00 31.18 C ATOM 1260 O THR H1020 4.147 -10.182 -1.001 1.00 29.67 O ATOM 1261 CB THR H1020 5.779 -9.595 -3.507 1.00 32.05 C ATOM 1262 OG1 THR H1020 6.691 -10.070 -4.518 1.00 32.82 O ATOM 1263 CG2 THR H1020 5.721 -8.027 -3.558 1.00 31.69 C ATOM 1264 HG1 THR H1020 6.733 -11.059 -4.485 1.00 0.00 H ATOM 1265 H THR H1020 5.610 -12.061 -2.247 1.00 0.00 H ATOM 1266 N LEU H1021 5.638 -8.627 -0.292 1.00 29.07 N ATOM 1267 CA LEU H1021 4.782 -8.022 0.713 1.00 28.49 C ATOM 1268 C LEU H1021 4.495 -6.591 0.309 1.00 27.34 C ATOM 1269 O LEU H1021 5.356 -5.919 -0.255 1.00 26.92 O ATOM 1270 CB LEU H1021 5.509 -7.939 2.029 1.00 31.18 C ATOM 1271 CG LEU H1021 5.744 -9.177 2.867 1.00 33.77 C ATOM 1272 CD1 LEU H1021 6.680 -10.125 2.155 1.00 37.49 C ATOM 1273 CD2 LEU H1021 6.357 -8.751 4.186 1.00 35.27 C ATOM 1274 H LEU H1021 6.601 -8.251 -0.408 1.00 0.00 H ATOM 1275 N THR H1022 3.301 -6.098 0.610 1.00 26.16 N ATOM 1276 CA THR H1022 2.897 -4.775 0.118 1.00 25.57 C ATOM 1277 C THR H1022 2.437 -3.933 1.302 1.00 25.67 C ATOM 1278 O THR H1022 2.094 -4.445 2.383 1.00 24.61 O ATOM 1279 CB THR H1022 1.791 -4.841 -0.969 1.00 27.04 C ATOM 1280 OG1 THR H1022 0.586 -5.389 -0.425 1.00 29.60 O ATOM 1281 CG2 THR H1022 2.221 -5.743 -2.145 1.00 31.78 C ATOM 1282 HG1 THR H1022 0.763 -6.303 -0.089 1.00 0.00 H ATOM 1283 H THR H1022 2.647 -6.652 1.198 1.00 0.00 H ATOM 1284 N CYS H1023 2.477 -2.643 1.073 1.00 25.87 N ATOM 1285 CA CYS H1023 2.191 -1.628 2.062 1.00 26.34 C ATOM 1286 C CYS H1023 1.420 -0.525 1.353 1.00 27.91 C ATOM 1287 O CYS H1023 1.973 0.205 0.523 1.00 27.72 O ATOM 1288 CB CYS H1023 3.514 -1.153 2.595 1.00 27.60 C ATOM 1289 SG CYS H1023 3.475 0.108 3.851 1.00 30.36 S ATOM 1290 H CYS H1023 2.732 -2.328 0.115 1.00 0.00 H ATOM 1291 N ARG H1024 0.135 -0.410 1.668 1.00 29.50 N ATOM 1292 CA ARG H1024 -0.756 0.497 0.947 1.00 35.34 C ATOM 1293 C ARG H1024 -1.226 1.594 1.903 1.00 33.28 C ATOM 1294 O ARG H1024 -1.290 1.363 3.101 1.00 31.55 O ATOM 1295 CB ARG H1024 -1.890 -0.333 0.307 1.00 42.60 C ATOM 1296 CG ARG H1024 -3.122 0.419 -0.199 1.00 56.13 C ATOM 1297 CD ARG H1024 -4.105 -0.502 -0.946 1.00 62.97 C ATOM 1298 NE ARG H1024 -3.813 -0.604 -2.389 1.00 69.50 N ATOM 1299 CZ ARG H1024 -4.334 0.170 -3.344 1.00 67.72 C ATOM 1300 NH1 ARG H1024 -5.190 1.145 -3.058 1.00 68.44 N ATOM 1301 NH2 ARG H1024 -3.989 -0.029 -4.611 1.00 68.24 N ATOM 1302 HE ARG H1024 -3.144 -1.342 -2.688 1.00 0.00 H ATOM 1303 HH12 ARG H1024 -5.581 1.734 -3.821 1.00 0.00 H ATOM 1304 HH11 ARG H1024 -5.469 1.320 -2.071 1.00 0.00 H ATOM 1305 HH22 ARG H1024 -4.391 0.570 -5.360 1.00 0.00 H ATOM 1306 HH21 ARG H1024 -3.317 -0.784 -4.854 1.00 0.00 H ATOM 1307 H ARG H1024 -0.248 -0.981 2.449 1.00 0.00 H ATOM 1308 N SER H1025 -1.531 2.772 1.352 1.00 34.20 N ATOM 1309 CA SER H1025 -1.946 3.968 2.095 1.00 35.01 C ATOM 1310 C SER H1025 -3.406 4.241 1.714 1.00 40.20 C ATOM 1311 O SER H1025 -3.744 4.246 0.533 1.00 38.31 O ATOM 1312 CB SER H1025 -1.059 5.168 1.693 1.00 37.88 C ATOM 1313 OG SER H1025 -1.399 6.406 2.334 1.00 37.55 O ATOM 1314 HG SER H1025 -1.314 6.303 3.315 1.00 0.00 H ATOM 1315 H SER H1025 -1.470 2.848 0.317 1.00 0.00 H ATOM 1316 N SER H1026 -4.262 4.477 2.691 1.00 42.79 N ATOM 1317 CA SER H1026 -5.638 4.880 2.451 1.00 48.51 C ATOM 1318 C SER H1026 -5.778 6.308 2.052 1.00 47.25 C ATOM 1319 O SER H1026 -6.800 6.694 1.544 1.00 50.17 O ATOM 1320 CB SER H1026 -6.433 4.751 3.716 1.00 51.23 C ATOM 1321 OG SER H1026 -5.899 5.627 4.658 1.00 56.39 O ATOM 1322 HG SER H1026 -6.412 5.556 5.502 1.00 0.00 H ATOM 1323 H SER H1026 -3.938 4.370 3.674 1.00 0.00 H ATOM 1324 N THR H1027 -4.768 7.103 2.325 1.00 47.27 N ATOM 1325 CA THR H1027 -4.856 8.506 2.047 1.00 50.76 C ATOM 1326 C THR H1027 -4.625 8.823 0.586 1.00 50.47 C ATOM 1327 O THR H1027 -4.916 9.902 0.147 1.00 50.29 O ATOM 1328 CB THR H1027 -3.873 9.302 2.879 1.00 49.27 C ATOM 1329 OG1 THR H1027 -2.567 9.169 2.343 1.00 50.16 O ATOM 1330 CG2 THR H1027 -3.889 8.835 4.264 1.00 50.80 C ATOM 1331 HG1 THR H1027 -2.304 8.215 2.351 1.00 0.00 H ATOM 1332 H THR H1027 -3.901 6.712 2.745 1.00 0.00 H ATOM 1333 N GLY H1027A -4.129 7.847 -0.156 1.00 11.39 N ATOM 1334 CA GLY H1027A -3.755 8.030 -1.535 1.00 11.53 C ATOM 1335 C GLY H1027A -2.566 7.187 -1.913 1.00 11.36 C ATOM 1336 O GLY H1027A -2.328 6.173 -1.322 1.00 11.40 O ATOM 1337 H GLY H1027A -4.004 6.908 0.274 1.00 0.00 H ATOM 1338 N ALA H1027B -1.817 7.612 -2.906 1.00 12.02 N ATOM 1339 CA ALA H1027B -0.743 6.809 -3.413 1.00 11.89 C ATOM 1340 C ALA H1027B 0.495 6.875 -2.564 1.00 11.58 C ATOM 1341 O ALA H1027B 0.818 7.925 -2.089 1.00 11.57 O ATOM 1342 CB ALA H1027B -0.423 7.224 -4.808 1.00 12.31 C ATOM 1343 H ALA H1027B -2.006 8.543 -3.329 1.00 0.00 H ATOM 1344 N VAL H1027C 1.189 5.748 -2.401 1.00 10.63 N ATOM 1345 CA VAL H1027C 2.466 5.754 -1.733 1.00 10.58 C ATOM 1346 C VAL H1027C 3.477 6.260 -2.731 1.00 11.50 C ATOM 1347 O VAL H1027C 3.443 5.872 -3.850 1.00 12.00 O ATOM 1348 CB VAL H1027C 2.904 4.366 -1.214 1.00 10.05 C ATOM 1349 CG1 VAL H1027C 4.250 4.453 -0.540 1.00 9.79 C ATOM 1350 CG2 VAL H1027C 1.867 3.745 -0.311 1.00 9.76 C ATOM 1351 H VAL H1027C 0.803 4.852 -2.761 1.00 0.00 H ATOM 1352 N THR H1028 4.353 7.157 -2.305 1.00 33.38 N ATOM 1353 CA THR H1028 5.402 7.714 -3.159 1.00 33.64 C ATOM 1354 C THR H1028 6.741 7.736 -2.453 1.00 31.26 C ATOM 1355 O THR H1028 6.814 7.405 -1.317 1.00 32.14 O ATOM 1356 CB THR H1028 5.060 9.140 -3.643 1.00 36.74 C ATOM 1357 OG1 THR H1028 5.340 10.073 -2.613 1.00 35.50 O ATOM 1358 CG2 THR H1028 3.621 9.239 -3.986 1.00 40.12 C ATOM 1359 HG1 THR H1028 5.120 10.986 -2.927 1.00 0.00 H ATOM 1360 H THR H1028 4.292 7.480 -1.318 1.00 0.00 H ATOM 1361 N THR H1029 7.792 8.126 -3.129 1.00 30.61 N ATOM 1362 CA THR H1029 9.049 8.245 -2.451 1.00 33.35 C ATOM 1363 C THR H1029 9.020 9.245 -1.313 1.00 37.02 C ATOM 1364 O THR H1029 9.906 9.170 -0.443 1.00 36.52 O ATOM 1365 CB THR H1029 10.196 8.675 -3.371 1.00 36.33 C ATOM 1366 OG1 THR H1029 9.890 9.946 -3.990 1.00 38.17 O ATOM 1367 CG2 THR H1029 10.449 7.607 -4.425 1.00 40.62 C ATOM 1368 HG1 THR H1029 9.060 9.861 -4.524 1.00 0.00 H ATOM 1369 H THR H1029 7.716 8.346 -4.143 1.00 0.00 H ATOM 1370 N SER H1030 8.070 10.195 -1.328 1.00 33.84 N ATOM 1371 CA SER H1030 7.960 11.151 -0.243 1.00 33.74 C ATOM 1372 C SER H1030 7.498 10.529 1.047 1.00 33.23 C ATOM 1373 O SER H1030 7.628 11.154 2.082 1.00 33.49 O ATOM 1374 CB SER H1030 7.006 12.272 -0.606 1.00 36.67 C ATOM 1375 OG SER H1030 7.576 13.022 -1.651 1.00 37.41 O ATOM 1376 HG SER H1030 6.963 13.759 -1.899 1.00 0.00 H ATOM 1377 H SER H1030 7.406 10.245 -2.127 1.00 0.00 H ATOM 1378 N ASN H1031 6.955 9.314 1.003 1.00 32.17 N ATOM 1379 CA ASN H1031 6.619 8.552 2.225 1.00 30.49 C ATOM 1380 C ASN H1031 7.773 7.768 2.833 1.00 27.41 C ATOM 1381 O ASN H1031 7.578 7.097 3.862 1.00 29.52 O ATOM 1382 CB ASN H1031 5.455 7.607 1.949 1.00 30.53 C ATOM 1383 CG ASN H1031 4.222 8.341 1.493 1.00 31.86 C ATOM 1384 OD1 ASN H1031 3.738 8.124 0.402 1.00 34.38 O ATOM 1385 ND2 ASN H1031 3.727 9.237 2.320 1.00 32.91 N ATOM 1386 HD22 ASN H1031 4.173 9.392 3.247 1.00 0.00 H ATOM 1387 HD21 ASN H1031 2.890 9.790 2.047 1.00 0.00 H ATOM 1388 H ASN H1031 6.760 8.885 0.076 1.00 0.00 H ATOM 1389 N TYR H1032 8.958 7.827 2.228 1.00 24.95 N ATOM 1390 CA TYR H1032 10.159 7.150 2.783 1.00 26.72 C ATOM 1391 C TYR H1032 9.859 5.763 3.403 1.00 24.76 C ATOM 1392 O TYR H1032 10.261 5.437 4.526 1.00 25.36 O ATOM 1393 CB TYR H1032 10.868 8.086 3.779 1.00 28.31 C ATOM 1394 CG TYR H1032 11.675 9.204 3.126 1.00 29.25 C ATOM 1395 CD1 TYR H1032 11.065 10.347 2.656 1.00 32.19 C ATOM 1396 CD2 TYR H1032 13.061 9.086 2.986 1.00 32.96 C ATOM 1397 CE1 TYR H1032 11.820 11.356 2.035 1.00 36.41 C ATOM 1398 CE2 TYR H1032 13.826 10.064 2.377 1.00 36.76 C ATOM 1399 CZ TYR H1032 13.215 11.203 1.909 1.00 37.85 C ATOM 1400 OH TYR H1032 14.001 12.184 1.329 1.00 44.06 O ATOM 1401 HH TYR H1032 13.427 12.938 1.042 1.00 0.00 H ATOM 1402 H TYR H1032 9.046 8.363 1.341 1.00 0.00 H ATOM 1403 N ALA H1033 9.138 4.922 2.674 1.00 24.46 N ATOM 1404 CA ALA H1033 8.762 3.606 3.230 1.00 24.70 C ATOM 1405 C ALA H1033 9.916 2.890 3.865 1.00 22.76 C ATOM 1406 O ALA H1033 10.985 2.810 3.277 1.00 23.22 O ATOM 1407 CB ALA H1033 8.185 2.716 2.141 1.00 26.32 C ATOM 1408 H ALA H1033 8.838 5.188 1.714 1.00 0.00 H ATOM 1409 N ASN H1034 9.713 2.389 5.083 1.00 25.42 N ATOM 1410 CA ASN H1034 10.688 1.507 5.748 1.00 23.35 C ATOM 1411 C ASN H1034 10.082 0.129 5.925 1.00 22.79 C ATOM 1412 O ASN H1034 8.847 -0.026 6.061 1.00 26.34 O ATOM 1413 CB ASN H1034 11.092 2.034 7.149 1.00 22.15 C ATOM 1414 CG ASN H1034 12.170 3.093 7.083 1.00 21.64 C ATOM 1415 OD1 ASN H1034 13.278 2.951 7.588 1.00 22.86 O ATOM 1416 ND2 ASN H1034 11.869 4.137 6.405 1.00 25.76 N ATOM 1417 HD22 ASN H1034 10.921 4.231 5.988 1.00 0.00 H ATOM 1418 HD21 ASN H1034 12.573 4.891 6.272 1.00 0.00 H ATOM 1419 H ASN H1034 8.833 2.630 5.583 1.00 0.00 H ATOM 1420 N TRP H1035 10.932 -0.864 5.935 1.00 21.84 N ATOM 1421 CA TRP H1035 10.560 -2.198 6.322 1.00 23.48 C ATOM 1422 C TRP H1035 11.418 -2.698 7.462 1.00 24.75 C ATOM 1423 O TRP H1035 12.653 -2.563 7.447 1.00 22.54 O ATOM 1424 CB TRP H1035 10.710 -3.145 5.118 1.00 25.15 C ATOM 1425 CG TRP H1035 9.760 -2.845 4.009 1.00 26.58 C ATOM 1426 CD1 TRP H1035 9.951 -1.991 2.978 1.00 26.92 C ATOM 1427 CD2 TRP H1035 8.431 -3.360 3.856 1.00 25.92 C ATOM 1428 NE1 TRP H1035 8.845 -1.948 2.179 1.00 26.62 N ATOM 1429 CE2 TRP H1035 7.886 -2.765 2.697 1.00 26.42 C ATOM 1430 CE3 TRP H1035 7.660 -4.254 4.577 1.00 25.20 C ATOM 1431 CZ2 TRP H1035 6.598 -3.046 2.243 1.00 25.19 C ATOM 1432 CZ3 TRP H1035 6.397 -4.547 4.133 1.00 24.96 C ATOM 1433 CH2 TRP H1035 5.877 -3.948 2.968 1.00 27.33 C ATOM 1434 HE1 TRP H1035 8.750 -1.381 1.312 1.00 0.00 H ATOM 1435 H TRP H1035 11.916 -0.682 5.652 1.00 0.00 H ATOM 1436 N VAL H1036 10.765 -3.324 8.451 1.00 23.00 N ATOM 1437 CA VAL H1036 11.432 -3.742 9.654 1.00 24.78 C ATOM 1438 C VAL H1036 11.000 -5.185 9.965 1.00 23.92 C ATOM 1439 O VAL H1036 9.841 -5.569 9.750 1.00 21.58 O ATOM 1440 CB VAL H1036 11.016 -2.796 10.807 1.00 27.42 C ATOM 1441 CG1 VAL H1036 11.528 -3.338 12.115 1.00 31.13 C ATOM 1442 CG2 VAL H1036 11.478 -1.347 10.519 1.00 28.07 C ATOM 1443 H VAL H1036 9.748 -3.513 8.345 1.00 0.00 H ATOM 1444 N GLN H1037 11.939 -5.976 10.461 1.00 24.89 N ATOM 1445 CA GLN H1037 11.702 -7.368 10.725 1.00 25.72 C ATOM 1446 C GLN H1037 11.692 -7.613 12.198 1.00 25.17 C ATOM 1447 O GLN H1037 12.611 -7.187 12.889 1.00 24.98 O ATOM 1448 CB GLN H1037 12.803 -8.185 10.101 1.00 25.42 C ATOM 1449 CG GLN H1037 12.659 -9.700 10.273 1.00 24.89 C ATOM 1450 CD GLN H1037 13.970 -10.353 9.955 1.00 25.68 C ATOM 1451 OE1 GLN H1037 14.963 -10.097 10.613 1.00 25.05 O ATOM 1452 NE2 GLN H1037 14.005 -11.149 8.896 1.00 26.98 N ATOM 1453 HE22 GLN H1037 13.134 -11.342 8.361 1.00 0.00 H ATOM 1454 HE21 GLN H1037 14.903 -11.581 8.600 1.00 0.00 H ATOM 1455 H GLN H1037 12.877 -5.577 10.666 1.00 0.00 H ATOM 1456 N GLU H1038 10.662 -8.325 12.652 1.00 23.46 N ATOM 1457 CA GLU H1038 10.556 -8.748 14.014 1.00 26.91 C ATOM 1458 C GLU H1038 10.679 -10.247 14.036 1.00 28.55 C ATOM 1459 O GLU H1038 9.758 -10.949 13.649 1.00 27.49 O ATOM 1460 CB GLU H1038 9.230 -8.384 14.620 1.00 26.90 C ATOM 1461 CG GLU H1038 9.201 -8.759 16.078 1.00 33.49 C ATOM 1462 CD GLU H1038 7.821 -8.781 16.687 1.00 37.06 C ATOM 1463 OE1 GLU H1038 6.799 -8.630 15.976 1.00 42.21 O ATOM 1464 OE2 GLU H1038 7.762 -8.966 17.915 1.00 42.82 O ATOM 1465 H GLU H1038 9.904 -8.584 11.989 1.00 0.00 H ATOM 1466 N LYS H1039 11.808 -10.737 14.503 1.00 31.02 N ATOM 1467 CA LYS H1039 11.955 -12.165 14.644 1.00 37.81 C ATOM 1468 C LYS H1039 11.317 -12.600 15.938 1.00 41.28 C ATOM 1469 O LYS H1039 11.069 -11.763 16.820 1.00 39.13 O ATOM 1470 CB LYS H1039 13.423 -12.549 14.645 1.00 40.51 C ATOM 1471 CG LYS H1039 14.065 -12.361 13.290 1.00 45.02 C ATOM 1472 CD LYS H1039 15.137 -13.396 13.012 1.00 53.07 C ATOM 1473 CE LYS H1039 16.088 -12.919 11.917 1.00 57.76 C ATOM 1474 NZ LYS H1039 16.552 -14.041 11.048 1.00 59.15 N ATOM 1475 HZ1 LYS H1039 17.052 -14.744 11.629 1.00 0.00 H ATOM 1476 HZ2 LYS H1039 15.731 -14.488 10.593 1.00 0.00 H ATOM 1477 HZ3 LYS H1039 17.195 -13.670 10.319 1.00 0.00 H ATOM 1478 H LYS H1039 12.587 -10.101 14.768 1.00 0.00 H ATOM 1479 N PRO H1040 11.040 -13.912 16.062 1.00 46.41 N ATOM 1480 CA PRO H1040 10.704 -14.486 17.357 1.00 50.71 C ATOM 1481 C PRO H1040 11.764 -14.087 18.368 1.00 57.73 C ATOM 1482 O PRO H1040 12.933 -14.453 18.247 1.00 59.24 O ATOM 1483 CB PRO H1040 10.752 -15.994 17.096 1.00 53.41 C ATOM 1484 CG PRO H1040 10.380 -16.132 15.659 1.00 52.99 C ATOM 1485 CD PRO H1040 10.947 -14.910 14.980 1.00 52.00 C ATOM 1486 N ASP H1041 11.399 -13.299 19.348 1.00 70.84 N ATOM 1487 CA ASP H1041 10.068 -12.772 19.533 1.00 75.22 C ATOM 1488 C ASP H1041 10.509 -11.455 20.133 1.00 70.46 C ATOM 1489 O ASP H1041 11.297 -11.455 21.072 1.00 79.53 O ATOM 1490 CB ASP H1041 9.293 -13.711 20.483 1.00 83.02 C ATOM 1491 CG ASP H1041 8.013 -13.092 21.078 1.00 87.76 C ATOM 1492 OD1 ASP H1041 7.839 -11.862 21.003 1.00 83.67 O ATOM 1493 OD2 ASP H1041 7.182 -13.855 21.645 1.00 82.48 O ATOM 1494 H ASP H1041 12.123 -13.033 20.046 1.00 0.00 H ATOM 1495 N HIS H1042 10.111 -10.347 19.513 1.00 65.22 N ATOM 1496 CA HIS H1042 10.506 -9.002 19.949 1.00 58.32 C ATOM 1497 C HIS H1042 11.925 -8.531 19.531 1.00 47.10 C ATOM 1498 O HIS H1042 12.355 -7.479 19.973 1.00 50.25 O ATOM 1499 CB HIS H1042 10.321 -8.856 21.475 1.00 64.36 C ATOM 1500 CG HIS H1042 8.941 -9.204 21.958 1.00 69.97 C ATOM 1501 ND1 HIS H1042 7.799 -8.740 21.338 1.00 72.33 N ATOM 1502 CD2 HIS H1042 8.518 -9.954 23.007 1.00 75.44 C ATOM 1503 CE1 HIS H1042 6.733 -9.192 21.976 1.00 75.71 C ATOM 1504 NE2 HIS H1042 7.141 -9.936 22.990 1.00 78.12 N ATOM 1505 H HIS H1042 9.492 -10.438 18.682 1.00 0.00 H ATOM 1506 N LEU H1043 12.622 -9.295 18.703 1.00 36.90 N ATOM 1507 CA LEU H1043 13.904 -8.896 18.087 1.00 38.73 C ATOM 1508 C LEU H1043 13.708 -8.171 16.743 1.00 32.53 C ATOM 1509 O LEU H1043 13.506 -8.803 15.704 1.00 28.73 O ATOM 1510 CB LEU H1043 14.822 -10.094 17.819 1.00 44.42 C ATOM 1511 CG LEU H1043 16.170 -9.745 17.133 1.00 51.60 C ATOM 1512 CD1 LEU H1043 17.057 -8.903 18.050 1.00 55.05 C ATOM 1513 CD2 LEU H1043 16.939 -10.992 16.697 1.00 54.91 C ATOM 1514 H LEU H1043 12.243 -10.235 18.472 1.00 0.00 H ATOM 1515 N PHE H1044 13.837 -6.850 16.778 1.00 30.90 N ATOM 1516 CA PHE H1044 13.552 -5.987 15.641 1.00 28.08 C ATOM 1517 C PHE H1044 14.821 -5.582 14.961 1.00 30.67 C ATOM 1518 O PHE H1044 15.792 -5.186 15.634 1.00 30.77 O ATOM 1519 CB PHE H1044 12.852 -4.721 16.153 1.00 28.69 C ATOM 1520 CG PHE H1044 11.397 -4.925 16.431 1.00 27.03 C ATOM 1521 CD1 PHE H1044 10.475 -4.821 15.405 1.00 29.64 C ATOM 1522 CD2 PHE H1044 10.953 -5.287 17.689 1.00 29.64 C ATOM 1523 CE1 PHE H1044 9.128 -5.018 15.628 1.00 30.11 C ATOM 1524 CE2 PHE H1044 9.591 -5.510 17.921 1.00 29.55 C ATOM 1525 CZ PHE H1044 8.685 -5.371 16.882 1.00 29.67 C ATOM 1526 H PHE H1044 14.158 -6.409 17.663 1.00 0.00 H ATOM 1527 N THR H1045 14.836 -5.601 13.643 1.00 29.73 N ATOM 1528 CA THR H1045 15.922 -4.934 12.914 1.00 32.87 C ATOM 1529 C THR H1045 15.392 -4.312 11.636 1.00 30.20 C ATOM 1530 O THR H1045 14.542 -4.884 10.981 1.00 29.72 O ATOM 1531 CB THR H1045 17.106 -5.887 12.604 1.00 37.63 C ATOM 1532 OG1 THR H1045 16.970 -6.426 11.301 1.00 40.34 O ATOM 1533 CG2 THR H1045 17.154 -7.070 13.542 1.00 38.70 C ATOM 1534 HG1 THR H1045 16.964 -5.689 10.639 1.00 0.00 H ATOM 1535 H THR H1045 14.080 -6.088 13.120 1.00 0.00 H ATOM 1536 N GLY H1046 15.902 -3.145 11.267 1.00 28.35 N ATOM 1537 CA GLY H1046 15.464 -2.474 10.039 1.00 27.98 C ATOM 1538 C GLY H1046 16.057 -3.133 8.789 1.00 26.05 C ATOM 1539 O GLY H1046 17.236 -3.458 8.763 1.00 27.12 O ATOM 1540 H GLY H1046 16.628 -2.696 11.861 1.00 0.00 H ATOM 1541 N LEU H1047 15.259 -3.336 7.757 1.00 23.67 N ATOM 1542 CA LEU H1047 15.738 -3.953 6.529 1.00 24.33 C ATOM 1543 C LEU H1047 15.952 -2.913 5.431 1.00 25.24 C ATOM 1544 O LEU H1047 16.994 -2.884 4.768 1.00 25.54 O ATOM 1545 CB LEU H1047 14.679 -4.942 6.039 1.00 25.55 C ATOM 1546 CG LEU H1047 14.367 -6.094 6.981 1.00 25.48 C ATOM 1547 CD1 LEU H1047 13.372 -7.020 6.320 1.00 30.06 C ATOM 1548 CD2 LEU H1047 15.606 -6.862 7.412 1.00 27.66 C ATOM 1549 H LEU H1047 14.262 -3.047 7.823 1.00 0.00 H ATOM 1550 N ILE H1048 14.938 -2.090 5.245 1.00 23.16 N ATOM 1551 CA ILE H1048 14.886 -1.130 4.176 1.00 24.92 C ATOM 1552 C ILE H1048 14.478 0.243 4.693 1.00 25.64 C ATOM 1553 O ILE H1048 13.578 0.348 5.556 1.00 25.22 O ATOM 1554 CB ILE H1048 13.789 -1.473 3.172 1.00 25.34 C ATOM 1555 CG1 ILE H1048 14.017 -2.827 2.513 1.00 27.13 C ATOM 1556 CG2 ILE H1048 13.773 -0.397 2.104 1.00 27.51 C ATOM 1557 CD1 ILE H1048 15.280 -2.911 1.668 1.00 29.24 C ATOM 1558 H ILE H1048 14.136 -2.138 5.905 1.00 0.00 H ATOM 1559 N GLY H1049 15.061 1.290 4.123 1.00 25.86 N ATOM 1560 CA GLY H1049 14.630 2.670 4.444 1.00 26.41 C ATOM 1561 C GLY H1049 14.629 3.450 3.158 1.00 26.36 C ATOM 1562 O GLY H1049 15.138 2.918 2.160 1.00 29.87 O ATOM 1563 H GLY H1049 15.832 1.139 3.441 1.00 0.00 H ATOM 1564 N GLY H1050 14.046 4.649 3.155 1.00 25.26 N ATOM 1565 CA GLY H1050 13.995 5.512 1.940 1.00 23.39 C ATOM 1566 C GLY H1050 13.496 4.800 0.710 1.00 24.66 C ATOM 1567 O GLY H1050 14.027 4.972 -0.405 1.00 24.85 O ATOM 1568 H GLY H1050 13.610 4.996 4.033 1.00 0.00 H ATOM 1569 N THR H1051 12.481 3.956 0.910 1.00 26.58 N ATOM 1570 CA THR H1051 11.807 3.190 -0.137 1.00 27.65 C ATOM 1571 C THR H1051 12.615 1.985 -0.645 1.00 28.85 C ATOM 1572 O THR H1051 12.110 0.869 -0.615 1.00 25.85 O ATOM 1573 CB THR H1051 11.327 4.091 -1.291 1.00 30.48 C ATOM 1574 OG1 THR H1051 10.630 5.243 -0.766 1.00 30.79 O ATOM 1575 CG2 THR H1051 10.378 3.312 -2.260 1.00 30.67 C ATOM 1576 HG1 THR H1051 11.241 5.759 -0.183 1.00 0.00 H ATOM 1577 H THR H1051 12.144 3.834 1.886 1.00 0.00 H ATOM 1578 N ASN H1052 13.868 2.189 -1.046 1.00 28.12 N ATOM 1579 CA ASN H1052 14.653 1.135 -1.739 1.00 32.36 C ATOM 1580 C ASN H1052 16.138 1.091 -1.353 1.00 31.86 C ATOM 1581 O ASN H1052 16.995 0.754 -2.176 1.00 30.44 O ATOM 1582 CB ASN H1052 14.510 1.305 -3.254 1.00 34.07 C ATOM 1583 CG ASN H1052 15.038 2.639 -3.736 1.00 35.25 C ATOM 1584 OD1 ASN H1052 15.030 3.613 -2.998 1.00 35.52 O ATOM 1585 ND2 ASN H1052 15.531 2.680 -4.976 1.00 35.95 N ATOM 1586 HD22 ASN H1052 15.517 1.826 -5.570 1.00 0.00 H ATOM 1587 HD21 ASN H1052 15.929 3.566 -5.348 1.00 0.00 H ATOM 1588 H ASN H1052 14.310 3.113 -0.869 1.00 0.00 H ATOM 1589 N ASN H1053 16.437 1.409 -0.092 1.00 33.34 N ATOM 1590 CA ASN H1053 17.803 1.351 0.413 1.00 36.39 C ATOM 1591 C ASN H1053 17.898 0.315 1.520 1.00 37.15 C ATOM 1592 O ASN H1053 17.360 0.553 2.619 1.00 36.66 O ATOM 1593 CB ASN H1053 18.215 2.706 0.996 1.00 40.12 C ATOM 1594 CG ASN H1053 18.435 3.746 -0.056 1.00 45.62 C ATOM 1595 OD1 ASN H1053 19.482 4.360 -0.100 1.00 57.41 O ATOM 1596 ND2 ASN H1053 17.476 3.931 -0.919 1.00 51.36 N ATOM 1597 HD22 ASN H1053 16.596 3.383 -0.843 1.00 0.00 H ATOM 1598 HD21 ASN H1053 17.591 4.627 -1.683 1.00 0.00 H ATOM 1599 H ASN H1053 15.674 1.707 0.549 1.00 0.00 H ATOM 1600 N ARG H1054 18.582 -0.803 1.241 1.00 33.86 N ATOM 1601 CA ARG H1054 18.962 -1.746 2.247 1.00 33.73 C ATOM 1602 C ARG H1054 19.824 -1.048 3.284 1.00 39.73 C ATOM 1603 O ARG H1054 20.765 -0.315 2.920 1.00 41.13 O ATOM 1604 CB ARG H1054 19.727 -2.952 1.648 1.00 35.80 C ATOM 1605 CG ARG H1054 18.866 -4.163 1.388 1.00 33.76 C ATOM 1606 CD ARG H1054 19.660 -5.375 0.982 1.00 32.45 C ATOM 1607 NE ARG H1054 20.481 -5.107 -0.152 1.00 35.18 N ATOM 1608 CZ ARG H1054 20.120 -5.166 -1.437 1.00 36.47 C ATOM 1609 NH1 ARG H1054 18.890 -5.491 -1.862 1.00 35.72 N ATOM 1610 NH2 ARG H1054 21.036 -4.873 -2.329 1.00 39.45 N ATOM 1611 HE ARG H1054 21.466 -4.837 0.042 1.00 0.00 H ATOM 1612 HH12 ARG H1054 18.682 -5.516 -2.881 1.00 0.00 H ATOM 1613 HH11 ARG H1054 18.145 -5.718 -1.173 1.00 0.00 H ATOM 1614 HH22 ARG H1054 20.804 -4.904 -3.342 1.00 0.00 H ATOM 1615 HH21 ARG H1054 21.994 -4.609 -2.023 1.00 0.00 H ATOM 1616 H ARG H1054 18.847 -0.993 0.253 1.00 0.00 H ATOM 1617 N ALA H1055 19.481 -1.243 4.567 1.00 37.95 N ATOM 1618 CA ALA H1055 20.322 -0.765 5.671 1.00 42.87 C ATOM 1619 C ALA H1055 21.629 -1.567 5.671 1.00 45.57 C ATOM 1620 O ALA H1055 21.703 -2.623 5.062 1.00 39.26 O ATOM 1621 CB ALA H1055 19.603 -0.943 6.968 1.00 41.86 C ATOM 1622 H ALA H1055 18.597 -1.746 4.784 1.00 0.00 H ATOM 1623 N PRO H1056 22.668 -1.067 6.347 1.00 54.76 N ATOM 1624 CA PRO H1056 23.962 -1.761 6.215 1.00 54.91 C ATOM 1625 C PRO H1056 23.952 -3.172 6.802 1.00 47.13 C ATOM 1626 O PRO H1056 23.352 -3.412 7.839 1.00 46.80 O ATOM 1627 CB PRO H1056 24.934 -0.850 6.983 1.00 58.75 C ATOM 1628 CG PRO H1056 24.070 -0.105 7.946 1.00 58.40 C ATOM 1629 CD PRO H1056 22.760 0.108 7.237 1.00 57.33 C ATOM 1630 N GLY H1057 24.601 -4.099 6.111 1.00 42.20 N ATOM 1631 CA GLY H1057 24.669 -5.463 6.577 1.00 39.56 C ATOM 1632 C GLY H1057 23.379 -6.248 6.419 1.00 35.73 C ATOM 1633 O GLY H1057 23.290 -7.361 6.875 1.00 40.22 O ATOM 1634 H GLY H1057 25.068 -3.839 5.219 1.00 0.00 H ATOM 1635 N VAL H1058 22.354 -5.685 5.795 1.00 31.68 N ATOM 1636 CA VAL H1058 21.126 -6.458 5.600 1.00 30.08 C ATOM 1637 C VAL H1058 21.324 -7.408 4.412 1.00 30.44 C ATOM 1638 O VAL H1058 21.871 -6.999 3.409 1.00 31.15 O ATOM 1639 CB VAL H1058 19.948 -5.536 5.354 1.00 28.00 C ATOM 1640 CG1 VAL H1058 18.698 -6.326 4.992 1.00 30.01 C ATOM 1641 CG2 VAL H1058 19.705 -4.695 6.590 1.00 29.15 C ATOM 1642 H VAL H1058 22.421 -4.707 5.448 1.00 0.00 H ATOM 1643 N PRO H1059 20.883 -8.656 4.518 1.00 27.21 N ATOM 1644 CA PRO H1059 21.193 -9.505 3.386 1.00 27.15 C ATOM 1645 C PRO H1059 20.561 -9.066 2.087 1.00 28.63 C ATOM 1646 O PRO H1059 19.436 -8.528 2.049 1.00 26.68 O ATOM 1647 CB PRO H1059 20.652 -10.872 3.796 1.00 28.70 C ATOM 1648 CG PRO H1059 20.624 -10.845 5.287 1.00 28.31 C ATOM 1649 CD PRO H1059 20.301 -9.404 5.630 1.00 27.58 C ATOM 1650 N ALA H1060 21.261 -9.392 1.011 1.00 28.36 N ATOM 1651 CA ALA H1060 20.897 -8.929 -0.300 1.00 28.92 C ATOM 1652 C ALA H1060 19.538 -9.452 -0.782 1.00 27.36 C ATOM 1653 O ALA H1060 18.907 -8.787 -1.567 1.00 28.47 O ATOM 1654 CB ALA H1060 21.980 -9.255 -1.295 1.00 29.80 C ATOM 1655 H ALA H1060 22.098 -10.000 1.118 1.00 0.00 H ATOM 1656 N ARG H1061 19.059 -10.582 -0.273 1.00 26.13 N ATOM 1657 CA ARG H1061 17.738 -11.045 -0.669 1.00 25.90 C ATOM 1658 C ARG H1061 16.551 -10.129 -0.361 1.00 25.45 C ATOM 1659 O ARG H1061 15.492 -10.331 -0.900 1.00 26.25 O ATOM 1660 CB ARG H1061 17.488 -12.420 -0.108 1.00 26.43 C ATOM 1661 CG ARG H1061 17.292 -12.519 1.381 1.00 27.36 C ATOM 1662 CD ARG H1061 17.217 -14.003 1.733 1.00 27.54 C ATOM 1663 NE ARG H1061 17.227 -14.240 3.169 1.00 31.56 N ATOM 1664 CZ ARG H1061 18.319 -14.296 3.932 1.00 32.71 C ATOM 1665 NH1 ARG H1061 19.541 -14.117 3.423 1.00 29.43 N ATOM 1666 NH2 ARG H1061 18.179 -14.542 5.233 1.00 33.34 N ATOM 1667 HE ARG H1061 16.309 -14.377 3.638 1.00 0.00 H ATOM 1668 HH12 ARG H1061 20.375 -14.166 4.043 1.00 0.00 H ATOM 1669 HH11 ARG H1061 19.659 -13.928 2.407 1.00 0.00 H ATOM 1670 HH22 ARG H1061 19.018 -14.590 5.846 1.00 0.00 H ATOM 1671 HH21 ARG H1061 17.231 -14.686 5.636 1.00 0.00 H ATOM 1672 H ARG H1061 19.625 -11.132 0.404 1.00 0.00 H ATOM 1673 N PHE H1062 16.684 -9.159 0.547 1.00 24.33 N ATOM 1674 CA PHE H1062 15.616 -8.235 0.859 1.00 23.03 C ATOM 1675 C PHE H1062 15.737 -7.015 -0.080 1.00 23.75 C ATOM 1676 O PHE H1062 16.780 -6.383 -0.148 1.00 24.37 O ATOM 1677 CB PHE H1062 15.687 -7.794 2.340 1.00 22.53 C ATOM 1678 CG PHE H1062 15.486 -8.943 3.358 1.00 23.62 C ATOM 1679 CD1 PHE H1062 14.233 -9.444 3.621 1.00 23.48 C ATOM 1680 CD2 PHE H1062 16.568 -9.512 4.014 1.00 23.09 C ATOM 1681 CE1 PHE H1062 14.047 -10.475 4.515 1.00 24.19 C ATOM 1682 CE2 PHE H1062 16.405 -10.572 4.908 1.00 24.34 C ATOM 1683 CZ PHE H1062 15.146 -11.058 5.151 1.00 24.61 C ATOM 1684 H PHE H1062 17.590 -9.064 1.049 1.00 0.00 H ATOM 1685 N SER H1063 14.643 -6.691 -0.766 1.00 26.24 N ATOM 1686 CA SER H1063 14.633 -5.788 -1.878 1.00 27.31 C ATOM 1687 C SER H1063 13.408 -4.899 -1.719 1.00 27.80 C ATOM 1688 O SER H1063 12.313 -5.408 -1.649 1.00 25.93 O ATOM 1689 CB SER H1063 14.532 -6.625 -3.167 1.00 30.99 C ATOM 1690 OG SER H1063 14.794 -5.872 -4.357 1.00 32.31 O ATOM 1691 HG SER H1063 14.713 -6.465 -5.146 1.00 0.00 H ATOM 1692 H SER H1063 13.741 -7.120 -0.477 1.00 0.00 H ATOM 1693 N GLY H1064 13.609 -3.581 -1.627 1.00 25.48 N ATOM 1694 CA GLY H1064 12.501 -2.636 -1.440 1.00 24.40 C ATOM 1695 C GLY H1064 12.132 -1.979 -2.728 1.00 24.54 C ATOM 1696 O GLY H1064 12.996 -1.761 -3.587 1.00 26.08 O ATOM 1697 H GLY H1064 14.580 -3.214 -1.690 1.00 0.00 H ATOM 1698 N SER H1065 10.826 -1.686 -2.873 1.00 24.66 N ATOM 1699 CA SER H1065 10.315 -1.133 -4.119 1.00 24.77 C ATOM 1700 C SER H1065 9.060 -0.239 -3.930 1.00 27.96 C ATOM 1701 O SER H1065 8.449 -0.172 -2.851 1.00 25.43 O ATOM 1702 CB SER H1065 10.030 -2.264 -5.139 1.00 23.45 C ATOM 1703 OG SER H1065 8.921 -3.073 -4.771 1.00 21.03 O ATOM 1704 HG SER H1065 9.099 -3.495 -3.893 1.00 0.00 H ATOM 1705 H SER H1065 10.172 -1.857 -2.083 1.00 0.00 H ATOM 1706 N LEU H1066 8.750 0.508 -4.987 1.00 28.23 N ATOM 1707 CA LEU H1066 7.480 1.201 -5.134 1.00 32.00 C ATOM 1708 C LEU H1066 6.917 0.486 -6.342 1.00 33.97 C ATOM 1709 O LEU H1066 7.622 0.366 -7.348 1.00 33.74 O ATOM 1710 CB LEU H1066 7.656 2.678 -5.460 1.00 34.70 C ATOM 1711 CG LEU H1066 7.267 3.668 -4.394 1.00 41.79 C ATOM 1712 CD1 LEU H1066 7.516 5.098 -4.914 1.00 41.20 C ATOM 1713 CD2 LEU H1066 5.803 3.487 -4.000 1.00 43.49 C ATOM 1714 H LEU H1066 9.453 0.601 -5.748 1.00 0.00 H ATOM 1715 N ILE H1067 5.699 -0.032 -6.225 1.00 32.01 N ATOM 1716 CA ILE H1067 5.018 -0.703 -7.320 1.00 34.82 C ATOM 1717 C ILE H1067 3.588 -0.206 -7.498 1.00 36.64 C ATOM 1718 O ILE H1067 2.713 -0.495 -6.683 1.00 37.77 O ATOM 1719 CB ILE H1067 4.931 -2.203 -7.078 1.00 39.90 C ATOM 1720 CG1 ILE H1067 6.264 -2.862 -7.410 1.00 43.72 C ATOM 1721 CG2 ILE H1067 3.874 -2.816 -7.997 1.00 45.69 C ATOM 1722 CD1 ILE H1067 6.300 -4.327 -7.014 1.00 47.75 C ATOM 1723 H ILE H1067 5.211 0.046 -5.310 1.00 0.00 H ATOM 1724 N GLY H1068 3.343 0.498 -8.587 1.00 35.35 N ATOM 1725 CA GLY H1068 2.088 1.185 -8.757 1.00 36.10 C ATOM 1726 C GLY H1068 1.996 2.177 -7.620 1.00 37.44 C ATOM 1727 O GLY H1068 2.868 3.018 -7.453 1.00 37.31 O ATOM 1728 H GLY H1068 4.066 0.558 -9.333 1.00 0.00 H ATOM 1729 N ASP H1069 0.946 2.065 -6.814 1.00 36.65 N ATOM 1730 CA ASP H1069 0.720 3.060 -5.756 1.00 36.90 C ATOM 1731 C ASP H1069 1.035 2.552 -4.339 1.00 34.14 C ATOM 1732 O ASP H1069 0.563 3.156 -3.384 1.00 29.37 O ATOM 1733 CB ASP H1069 -0.748 3.556 -5.822 1.00 42.63 C ATOM 1734 CG ASP H1069 -1.790 2.417 -5.638 1.00 46.75 C ATOM 1735 OD1 ASP H1069 -1.414 1.267 -5.288 1.00 51.76 O ATOM 1736 OD2 ASP H1069 -3.004 2.674 -5.861 1.00 54.55 O ATOM 1737 H ASP H1069 0.283 1.272 -6.932 1.00 0.00 H ATOM 1738 N LYS H1070 1.760 1.431 -4.217 1.00 32.55 N ATOM 1739 CA LYS H1070 2.047 0.758 -2.942 1.00 32.81 C ATOM 1740 C LYS H1070 3.558 0.735 -2.789 1.00 30.09 C ATOM 1741 O LYS H1070 4.260 0.698 -3.775 1.00 32.49 O ATOM 1742 CB LYS H1070 1.609 -0.719 -2.946 1.00 38.66 C ATOM 1743 CG LYS H1070 0.377 -1.118 -3.734 1.00 47.21 C ATOM 1744 CD LYS H1070 -0.059 -2.546 -3.369 1.00 52.65 C ATOM 1745 CE LYS H1070 -1.450 -2.915 -3.939 1.00 63.93 C ATOM 1746 NZ LYS H1070 -2.419 -3.661 -3.044 1.00 62.23 N ATOM 1747 HZ1 LYS H1070 -1.997 -4.568 -2.758 1.00 0.00 H ATOM 1748 HZ2 LYS H1070 -2.619 -3.089 -2.199 1.00 0.00 H ATOM 1749 HZ3 LYS H1070 -3.303 -3.836 -3.563 1.00 0.00 H ATOM 1750 H LYS H1070 2.146 1.008 -5.085 1.00 0.00 H ATOM 1751 N ALA H1071 4.069 0.717 -1.569 1.00 27.88 N ATOM 1752 CA ALA H1071 5.446 0.272 -1.343 1.00 28.06 C ATOM 1753 C ALA H1071 5.479 -1.272 -1.256 1.00 27.38 C ATOM 1754 O ALA H1071 4.485 -1.899 -0.929 1.00 29.23 O ATOM 1755 CB ALA H1071 6.001 0.864 -0.080 1.00 30.08 C ATOM 1756 H ALA H1071 3.487 1.022 -0.763 1.00 0.00 H ATOM 1757 N ALA H1072 6.610 -1.896 -1.528 1.00 24.25 N ATOM 1758 CA ALA H1072 6.670 -3.349 -1.399 1.00 24.59 C ATOM 1759 C ALA H1072 8.053 -3.801 -1.044 1.00 23.73 C ATOM 1760 O ALA H1072 9.047 -3.174 -1.409 1.00 24.83 O ATOM 1761 CB ALA H1072 6.203 -4.062 -2.704 1.00 26.93 C ATOM 1762 H ALA H1072 7.448 -1.359 -1.830 1.00 0.00 H ATOM 1763 N LEU H1073 8.090 -4.932 -0.367 1.00 20.66 N ATOM 1764 CA LEU H1073 9.319 -5.588 0.013 1.00 23.10 C ATOM 1765 C LEU H1073 9.300 -7.013 -0.613 1.00 24.39 C ATOM 1766 O LEU H1073 8.316 -7.742 -0.447 1.00 25.63 O ATOM 1767 CB LEU H1073 9.353 -5.715 1.511 1.00 25.27 C ATOM 1768 CG LEU H1073 10.440 -6.660 2.021 1.00 26.90 C ATOM 1769 CD1 LEU H1073 11.767 -5.983 1.781 1.00 26.78 C ATOM 1770 CD2 LEU H1073 10.268 -7.066 3.467 1.00 27.58 C ATOM 1771 H LEU H1073 7.189 -5.374 -0.093 1.00 0.00 H ATOM 1772 N THR H1074 10.356 -7.371 -1.344 1.00 24.39 N ATOM 1773 CA THR H1074 10.470 -8.682 -1.999 1.00 27.17 C ATOM 1774 C THR H1074 11.615 -9.397 -1.340 1.00 25.40 C ATOM 1775 O THR H1074 12.689 -8.808 -1.111 1.00 28.10 O ATOM 1776 CB THR H1074 10.709 -8.565 -3.541 1.00 28.06 C ATOM 1777 OG1 THR H1074 9.567 -7.953 -4.143 1.00 29.24 O ATOM 1778 CG2 THR H1074 10.810 -9.954 -4.184 1.00 27.63 C ATOM 1779 HG1 THR H1074 9.712 -7.876 -5.119 1.00 0.00 H ATOM 1780 H THR H1074 11.135 -6.691 -1.456 1.00 0.00 H ATOM 1781 N ILE H1075 11.374 -10.624 -0.967 1.00 23.80 N ATOM 1782 CA ILE H1075 12.452 -11.529 -0.558 1.00 24.70 C ATOM 1783 C ILE H1075 12.709 -12.431 -1.709 1.00 27.98 C ATOM 1784 O ILE H1075 11.832 -13.221 -2.073 1.00 24.43 O ATOM 1785 CB ILE H1075 12.139 -12.351 0.711 1.00 26.84 C ATOM 1786 CG1 ILE H1075 11.648 -11.433 1.842 1.00 30.56 C ATOM 1787 CG2 ILE H1075 13.392 -12.983 1.236 1.00 26.30 C ATOM 1788 CD1 ILE H1075 11.160 -12.182 3.084 1.00 30.69 C ATOM 1789 H ILE H1075 10.393 -10.968 -0.960 1.00 0.00 H ATOM 1790 N THR H1076 13.917 -12.311 -2.289 1.00 29.29 N ATOM 1791 CA THR H1076 14.211 -12.944 -3.563 1.00 32.90 C ATOM 1792 C THR H1076 14.957 -14.219 -3.273 1.00 31.45 C ATOM 1793 O THR H1076 16.188 -14.289 -3.356 1.00 31.46 O ATOM 1794 CB THR H1076 15.037 -12.044 -4.505 1.00 38.39 C ATOM 1795 OG1 THR H1076 14.299 -10.849 -4.849 1.00 40.41 O ATOM 1796 CG2 THR H1076 15.312 -12.839 -5.777 1.00 45.90 C ATOM 1797 HG1 THR H1076 14.846 -10.287 -5.453 1.00 0.00 H ATOM 1798 H THR H1076 14.656 -11.753 -1.815 1.00 0.00 H ATOM 1799 N GLY H1077 14.193 -15.207 -2.881 1.00 29.42 N ATOM 1800 CA GLY H1077 14.733 -16.493 -2.494 1.00 33.35 C ATOM 1801 C GLY H1077 14.744 -16.523 -0.999 1.00 31.08 C ATOM 1802 O GLY H1077 15.747 -16.208 -0.369 1.00 35.35 O ATOM 1803 H GLY H1077 13.164 -15.063 -2.846 1.00 0.00 H ATOM 1804 N ALA H1078 13.627 -16.886 -0.398 1.00 33.10 N ATOM 1805 CA ALA H1078 13.535 -16.889 1.050 1.00 28.13 C ATOM 1806 C ALA H1078 14.486 -17.960 1.653 1.00 31.19 C ATOM 1807 O ALA H1078 14.779 -19.000 1.007 1.00 29.74 O ATOM 1808 CB ALA H1078 12.080 -17.145 1.465 1.00 27.53 C ATOM 1809 H ALA H1078 12.805 -17.173 -0.967 1.00 0.00 H ATOM 1810 N GLN H1079 14.944 -17.694 2.882 1.00 28.64 N ATOM 1811 CA GLN H1079 15.699 -18.685 3.719 1.00 34.01 C ATOM 1812 C GLN H1079 14.936 -19.011 5.011 1.00 33.70 C ATOM 1813 O GLN H1079 14.036 -18.254 5.441 1.00 34.41 O ATOM 1814 CB GLN H1079 17.140 -18.195 3.936 1.00 33.32 C ATOM 1815 CG GLN H1079 17.782 -17.827 2.583 1.00 36.84 C ATOM 1816 CD GLN H1079 19.243 -17.329 2.609 1.00 38.67 C ATOM 1817 OE1 GLN H1079 19.770 -16.818 1.592 1.00 38.62 O ATOM 1818 NE2 GLN H1079 19.895 -17.471 3.740 1.00 37.77 N ATOM 1819 HE22 GLN H1079 19.423 -17.900 4.562 1.00 0.00 H ATOM 1820 HE21 GLN H1079 20.883 -17.155 3.814 1.00 0.00 H ATOM 1821 H GLN H1079 14.767 -16.749 3.279 1.00 0.00 H ATOM 1822 N THR H1080 15.295 -20.112 5.672 1.00 37.07 N ATOM 1823 CA THR H1080 14.552 -20.592 6.834 1.00 37.85 C ATOM 1824 C THR H1080 14.516 -19.554 7.960 1.00 36.63 C ATOM 1825 O THR H1080 13.493 -19.303 8.567 1.00 36.93 O ATOM 1826 CB THR H1080 15.138 -21.931 7.343 1.00 40.40 C ATOM 1827 OG1 THR H1080 16.567 -21.849 7.373 1.00 44.14 O ATOM 1828 CG2 THR H1080 14.751 -23.064 6.424 1.00 37.05 C ATOM 1829 HG1 THR H1080 16.842 -21.117 7.980 1.00 0.00 H ATOM 1830 H THR H1080 16.129 -20.644 5.351 1.00 0.00 H ATOM 1831 N GLU H1081 15.644 -18.928 8.219 1.00 34.10 N ATOM 1832 CA GLU H1081 15.730 -17.828 9.178 1.00 32.50 C ATOM 1833 C GLU H1081 14.873 -16.539 8.918 1.00 31.43 C ATOM 1834 O GLU H1081 14.955 -15.563 9.702 1.00 27.66 O ATOM 1835 CB GLU H1081 17.193 -17.400 9.320 1.00 36.40 C ATOM 1836 CG GLU H1081 17.880 -17.074 8.002 1.00 42.95 C ATOM 1837 CD GLU H1081 18.657 -18.250 7.403 1.00 51.56 C ATOM 1838 OE1 GLU H1081 18.366 -19.434 7.744 1.00 53.66 O ATOM 1839 OE2 GLU H1081 19.579 -18.000 6.582 1.00 57.66 O ATOM 1840 H GLU H1081 16.507 -19.227 7.722 1.00 0.00 H ATOM 1841 N ASP H1082 14.092 -16.486 7.837 1.00 26.79 N ATOM 1842 CA ASP H1082 13.301 -15.297 7.538 1.00 25.48 C ATOM 1843 C ASP H1082 11.896 -15.365 8.094 1.00 25.38 C ATOM 1844 O ASP H1082 11.105 -14.442 7.882 1.00 24.99 O ATOM 1845 CB ASP H1082 13.191 -15.075 6.031 1.00 27.69 C ATOM 1846 CG ASP H1082 14.494 -14.899 5.387 1.00 30.58 C ATOM 1847 OD1 ASP H1082 15.429 -14.429 6.101 1.00 29.64 O ATOM 1848 OD2 ASP H1082 14.594 -15.219 4.158 1.00 31.50 O ATOM 1849 H ASP H1082 14.047 -17.305 7.198 1.00 0.00 H ATOM 1850 N GLU H1083 11.552 -16.468 8.765 1.00 25.32 N ATOM 1851 CA GLU H1083 10.299 -16.535 9.478 1.00 26.73 C ATOM 1852 C GLU H1083 10.276 -15.438 10.538 1.00 27.69 C ATOM 1853 O GLU H1083 11.181 -15.378 11.390 1.00 29.59 O ATOM 1854 CB GLU H1083 10.167 -17.888 10.180 1.00 29.41 C ATOM 1855 CG GLU H1083 8.832 -18.068 10.884 1.00 33.76 C ATOM 1856 CD GLU H1083 8.500 -19.546 11.011 1.00 37.42 C ATOM 1857 OE1 GLU H1083 8.415 -20.236 9.981 1.00 32.23 O ATOM 1858 OE2 GLU H1083 8.400 -20.052 12.148 1.00 45.44 O ATOM 1859 H GLU H1083 12.194 -17.286 8.774 1.00 0.00 H ATOM 1860 N ALA H1084 9.265 -14.572 10.469 1.00 25.69 N ATOM 1861 CA ALA H1084 9.229 -13.320 11.224 1.00 26.33 C ATOM 1862 C ALA H1084 7.963 -12.545 10.848 1.00 26.11 C ATOM 1863 O ALA H1084 7.237 -12.935 9.943 1.00 28.81 O ATOM 1864 CB ALA H1084 10.440 -12.482 10.885 1.00 24.40 C ATOM 1865 H ALA H1084 8.462 -14.798 9.848 1.00 0.00 H ATOM 1866 N ILE H1085 7.719 -11.450 11.548 1.00 26.30 N ATOM 1867 CA ILE H1085 6.669 -10.519 11.192 1.00 26.79 C ATOM 1868 C ILE H1085 7.375 -9.329 10.539 1.00 23.52 C ATOM 1869 O ILE H1085 8.392 -8.899 11.005 1.00 23.23 O ATOM 1870 CB ILE H1085 5.904 -10.084 12.464 1.00 30.57 C ATOM 1871 CG1 ILE H1085 5.304 -11.317 13.108 1.00 33.55 C ATOM 1872 CG2 ILE H1085 4.841 -9.058 12.149 1.00 29.54 C ATOM 1873 CD1 ILE H1085 4.409 -11.094 14.301 1.00 36.55 C ATOM 1874 H ILE H1085 8.303 -11.250 12.385 1.00 0.00 H ATOM 1875 N TYR H1086 6.845 -8.834 9.439 1.00 24.98 N ATOM 1876 CA TYR H1086 7.489 -7.780 8.593 1.00 23.06 C ATOM 1877 C TYR H1086 6.550 -6.617 8.692 1.00 22.91 C ATOM 1878 O TYR H1086 5.348 -6.749 8.349 1.00 24.09 O ATOM 1879 CB TYR H1086 7.660 -8.257 7.132 1.00 23.01 C ATOM 1880 CG TYR H1086 8.730 -9.282 7.052 1.00 22.71 C ATOM 1881 CD1 TYR H1086 8.461 -10.628 7.315 1.00 22.48 C ATOM 1882 CD2 TYR H1086 10.025 -8.916 6.846 1.00 22.83 C ATOM 1883 CE1 TYR H1086 9.465 -11.564 7.344 1.00 22.12 C ATOM 1884 CE2 TYR H1086 11.042 -9.862 6.796 1.00 22.01 C ATOM 1885 CZ TYR H1086 10.764 -11.168 7.097 1.00 22.24 C ATOM 1886 OH TYR H1086 11.786 -12.073 7.090 1.00 23.59 O ATOM 1887 HH TYR H1086 11.434 -12.968 7.325 1.00 0.00 H ATOM 1888 H TYR H1086 5.919 -9.199 9.139 1.00 0.00 H ATOM 1889 N PHE H1087 7.040 -5.491 9.205 1.00 22.97 N ATOM 1890 CA PHE H1087 6.206 -4.274 9.310 1.00 22.75 C ATOM 1891 C PHE H1087 6.696 -3.243 8.327 1.00 22.92 C ATOM 1892 O PHE H1087 7.918 -3.045 8.173 1.00 23.86 O ATOM 1893 CB PHE H1087 6.359 -3.605 10.696 1.00 24.90 C ATOM 1894 CG PHE H1087 5.787 -4.369 11.835 1.00 24.86 C ATOM 1895 CD1 PHE H1087 6.528 -5.325 12.478 1.00 26.44 C ATOM 1896 CD2 PHE H1087 4.486 -4.135 12.266 1.00 26.40 C ATOM 1897 CE1 PHE H1087 6.011 -6.055 13.511 1.00 26.55 C ATOM 1898 CE2 PHE H1087 3.964 -4.879 13.307 1.00 26.26 C ATOM 1899 CZ PHE H1087 4.729 -5.843 13.919 1.00 28.09 C ATOM 1900 H PHE H1087 8.025 -5.466 9.537 1.00 0.00 H ATOM 1901 N CYS H1088 5.787 -2.481 7.757 1.00 22.11 N ATOM 1902 CA CYS H1088 6.193 -1.282 7.024 1.00 25.36 C ATOM 1903 C CYS H1088 5.817 -0.040 7.783 1.00 23.88 C ATOM 1904 O CYS H1088 4.962 -0.071 8.637 1.00 27.02 O ATOM 1905 CB CYS H1088 5.584 -1.181 5.638 1.00 28.86 C ATOM 1906 SG CYS H1088 3.811 -0.921 5.603 1.00 34.67 S ATOM 1907 H CYS H1088 4.780 -2.731 7.828 1.00 0.00 H ATOM 1908 N ALA H1089 6.455 1.054 7.427 1.00 24.80 N ATOM 1909 CA ALA H1089 6.158 2.346 8.014 1.00 25.31 C ATOM 1910 C ALA H1089 6.283 3.358 6.955 1.00 23.80 C ATOM 1911 O ALA H1089 7.267 3.341 6.193 1.00 23.94 O ATOM 1912 CB ALA H1089 7.183 2.666 9.089 1.00 28.81 C ATOM 1913 H ALA H1089 7.197 0.990 6.701 1.00 0.00 H ATOM 1914 N LEU H1090 5.318 4.264 6.931 1.00 25.62 N ATOM 1915 CA LEU H1090 5.337 5.404 6.030 1.00 26.29 C ATOM 1916 C LEU H1090 5.369 6.735 6.767 1.00 25.24 C ATOM 1917 O LEU H1090 4.838 6.892 7.883 1.00 27.84 O ATOM 1918 CB LEU H1090 4.107 5.371 5.148 1.00 28.06 C ATOM 1919 CG LEU H1090 3.795 4.039 4.464 1.00 31.85 C ATOM 1920 CD1 LEU H1090 2.487 4.167 3.714 1.00 33.81 C ATOM 1921 CD2 LEU H1090 4.906 3.647 3.521 1.00 33.31 C ATOM 1922 H LEU H1090 4.515 4.156 7.583 1.00 0.00 H ATOM 1923 N TRP H1091 5.973 7.707 6.104 1.00 27.81 N ATOM 1924 CA TRP H1091 6.141 9.042 6.619 1.00 27.87 C ATOM 1925 C TRP H1091 5.113 10.038 6.036 1.00 32.16 C ATOM 1926 O TRP H1091 4.913 10.126 4.817 1.00 30.69 O ATOM 1927 CB TRP H1091 7.546 9.495 6.317 1.00 28.78 C ATOM 1928 CG TRP H1091 7.822 10.969 6.625 1.00 28.59 C ATOM 1929 CD1 TRP H1091 7.844 12.010 5.734 1.00 30.28 C ATOM 1930 CD2 TRP H1091 8.151 11.511 7.882 1.00 29.13 C ATOM 1931 NE1 TRP H1091 8.148 13.162 6.373 1.00 31.01 N ATOM 1932 CE2 TRP H1091 8.320 12.891 7.709 1.00 31.65 C ATOM 1933 CE3 TRP H1091 8.259 10.970 9.167 1.00 30.00 C ATOM 1934 CZ2 TRP H1091 8.683 13.732 8.762 1.00 31.00 C ATOM 1935 CZ3 TRP H1091 8.605 11.790 10.211 1.00 32.91 C ATOM 1936 CH2 TRP H1091 8.829 13.170 10.005 1.00 34.74 C ATOM 1937 HE1 TRP H1091 8.237 14.098 5.927 1.00 0.00 H ATOM 1938 H TRP H1091 6.348 7.496 5.157 1.00 0.00 H ATOM 1939 N TYR H1092 4.422 10.745 6.916 1.00 31.44 N ATOM 1940 CA TYR H1092 3.389 11.696 6.507 1.00 38.37 C ATOM 1941 C TYR H1092 3.716 13.060 7.085 1.00 37.74 C ATOM 1942 O TYR H1092 3.174 13.436 8.128 1.00 37.11 O ATOM 1943 CB TYR H1092 2.014 11.248 7.011 1.00 38.05 C ATOM 1944 CG TYR H1092 1.496 10.033 6.339 1.00 41.00 C ATOM 1945 CD1 TYR H1092 0.951 10.099 5.054 1.00 46.01 C ATOM 1946 CD2 TYR H1092 1.538 8.800 6.977 1.00 44.14 C ATOM 1947 CE1 TYR H1092 0.450 8.960 4.434 1.00 44.75 C ATOM 1948 CE2 TYR H1092 1.063 7.649 6.369 1.00 42.35 C ATOM 1949 CZ TYR H1092 0.523 7.728 5.104 1.00 47.78 C ATOM 1950 OH TYR H1092 0.042 6.569 4.532 1.00 53.89 O ATOM 1951 HH TYR H1092 -0.314 6.770 3.630 1.00 0.00 H ATOM 1952 H TYR H1092 4.620 10.620 7.929 1.00 0.00 H ATOM 1953 N SER H1093 4.678 13.733 6.464 1.00 44.03 N ATOM 1954 CA SER H1093 5.034 15.146 6.779 1.00 46.04 C ATOM 1955 C SER H1093 5.831 15.310 8.051 1.00 44.73 C ATOM 1956 O SER H1093 6.906 15.921 8.031 1.00 47.26 O ATOM 1957 CB SER H1093 3.788 16.015 6.829 1.00 45.10 C ATOM 1958 OG SER H1093 3.087 15.751 5.632 1.00 47.48 O ATOM 1959 HG SER H1093 2.854 14.790 5.593 1.00 0.00 H ATOM 1960 H SER H1093 5.213 13.247 5.716 1.00 0.00 H ATOM 1961 N ASN H1094 5.309 14.771 9.148 1.00 41.99 N ATOM 1962 CA ASN H1094 5.938 14.928 10.455 1.00 41.19 C ATOM 1963 C ASN H1094 5.597 13.809 11.448 1.00 37.96 C ATOM 1964 O ASN H1094 5.720 14.000 12.650 1.00 37.09 O ATOM 1965 CB ASN H1094 5.440 16.239 11.037 1.00 43.96 C ATOM 1966 CG ASN H1094 3.923 16.299 11.042 1.00 48.93 C ATOM 1967 OD1 ASN H1094 3.266 15.309 10.734 1.00 38.73 O ATOM 1968 ND2 ASN H1094 3.360 17.465 11.365 1.00 51.69 N ATOM 1969 HD22 ASN H1094 3.957 18.278 11.620 1.00 0.00 H ATOM 1970 HD21 ASN H1094 2.324 17.561 11.362 1.00 0.00 H ATOM 1971 H ASN H1094 4.429 14.223 9.073 1.00 0.00 H ATOM 1972 N HIS H1095 5.126 12.665 10.973 1.00 34.36 N ATOM 1973 CA HIS H1095 4.952 11.509 11.854 1.00 31.95 C ATOM 1974 C HIS H1095 5.045 10.262 11.021 1.00 27.55 C ATOM 1975 O HIS H1095 4.946 10.321 9.832 1.00 29.34 O ATOM 1976 CB HIS H1095 3.608 11.548 12.594 1.00 34.86 C ATOM 1977 CG HIS H1095 2.419 11.688 11.693 1.00 39.60 C ATOM 1978 ND1 HIS H1095 1.597 10.628 11.368 1.00 41.75 N ATOM 1979 CD2 HIS H1095 1.890 12.776 11.077 1.00 40.77 C ATOM 1980 CE1 HIS H1095 0.623 11.051 10.578 1.00 42.01 C ATOM 1981 NE2 HIS H1095 0.775 12.353 10.387 1.00 43.35 N ATOM 1982 H HIS H1095 4.878 12.588 9.966 1.00 0.00 H ATOM 1983 N TRP H1096 5.251 9.140 11.670 1.00 27.31 N ATOM 1984 CA TRP H1096 5.287 7.841 11.013 1.00 26.34 C ATOM 1985 C TRP H1096 3.999 7.136 11.335 1.00 27.23 C ATOM 1986 O TRP H1096 3.483 7.297 12.440 1.00 28.22 O ATOM 1987 CB TRP H1096 6.425 7.012 11.580 1.00 25.50 C ATOM 1988 CG TRP H1096 7.754 7.516 11.164 1.00 26.06 C ATOM 1989 CD1 TRP H1096 8.582 8.360 11.856 1.00 24.94 C ATOM 1990 CD2 TRP H1096 8.412 7.215 9.950 1.00 27.45 C ATOM 1991 NE1 TRP H1096 9.723 8.576 11.169 1.00 27.50 N ATOM 1992 CE2 TRP H1096 9.649 7.914 9.969 1.00 27.33 C ATOM 1993 CE3 TRP H1096 8.082 6.417 8.829 1.00 27.23 C ATOM 1994 CZ2 TRP H1096 10.548 7.865 8.921 1.00 26.24 C ATOM 1995 CZ3 TRP H1096 9.002 6.363 7.765 1.00 26.45 C ATOM 1996 CH2 TRP H1096 10.231 7.085 7.832 1.00 27.16 C ATOM 1997 HE1 TRP H1096 10.527 9.150 11.495 1.00 0.00 H ATOM 1998 H TRP H1096 5.395 9.180 12.699 1.00 0.00 H ATOM 1999 N VAL H1097 3.474 6.369 10.386 1.00 25.98 N ATOM 2000 CA VAL H1097 2.505 5.356 10.689 1.00 27.55 C ATOM 2001 C VAL H1097 3.031 3.974 10.299 1.00 27.33 C ATOM 2002 O VAL H1097 3.463 3.777 9.170 1.00 25.49 O ATOM 2003 CB VAL H1097 1.202 5.619 9.937 1.00 29.81 C ATOM 2004 CG1 VAL H1097 0.149 4.587 10.317 1.00 31.06 C ATOM 2005 CG2 VAL H1097 0.727 7.036 10.251 1.00 32.88 C ATOM 2006 H VAL H1097 3.773 6.506 9.399 1.00 0.00 H ATOM 2007 N PHE H1098 2.968 3.038 11.240 1.00 27.07 N ATOM 2008 CA PHE H1098 3.309 1.646 10.997 1.00 26.83 C ATOM 2009 C PHE H1098 2.099 0.836 10.581 1.00 26.15 C ATOM 2010 O PHE H1098 1.023 0.983 11.106 1.00 24.86 O ATOM 2011 CB PHE H1098 3.928 0.951 12.218 1.00 27.46 C ATOM 2012 CG PHE H1098 5.351 1.318 12.460 1.00 30.66 C ATOM 2013 CD1 PHE H1098 5.664 2.541 13.039 1.00 31.62 C ATOM 2014 CD2 PHE H1098 6.383 0.446 12.127 1.00 31.38 C ATOM 2015 CE1 PHE H1098 6.968 2.918 13.221 1.00 32.94 C ATOM 2016 CE2 PHE H1098 7.702 0.809 12.350 1.00 32.35 C ATOM 2017 CZ PHE H1098 7.992 2.059 12.898 1.00 31.64 C ATOM 2018 H PHE H1098 2.661 3.314 12.194 1.00 0.00 H ATOM 2019 N GLY H1099 2.299 -0.065 9.623 1.00 24.69 N ATOM 2020 CA GLY H1099 1.255 -0.972 9.282 1.00 25.57 C ATOM 2021 C GLY H1099 1.083 -2.058 10.321 1.00 27.08 C ATOM 2022 O GLY H1099 1.831 -2.172 11.265 1.00 26.46 O ATOM 2023 H GLY H1099 3.212 -0.107 9.126 1.00 0.00 H ATOM 2024 N GLY H1100 0.101 -2.905 10.091 1.00 29.08 N ATOM 2025 CA GLY H1100 -0.231 -3.939 11.035 1.00 29.36 C ATOM 2026 C GLY H1100 0.765 -5.088 11.112 1.00 28.34 C ATOM 2027 O GLY H1100 0.671 -5.864 12.024 1.00 28.82 O ATOM 2028 H GLY H1100 -0.445 -2.825 9.210 1.00 0.00 H ATOM 2029 N GLY H1101 1.639 -5.226 10.118 1.00 25.48 N ATOM 2030 CA GLY H1101 2.609 -6.301 10.061 1.00 25.45 C ATOM 2031 C GLY H1101 2.088 -7.507 9.312 1.00 23.11 C ATOM 2032 O GLY H1101 0.913 -7.804 9.370 1.00 24.75 O ATOM 2033 H GLY H1101 1.625 -4.530 9.346 1.00 0.00 H ATOM 2034 N THR H1102 2.956 -8.154 8.564 1.00 22.91 N ATOM 2035 CA THR H1102 2.631 -9.364 7.848 1.00 25.05 C ATOM 2036 C THR H1102 3.349 -10.537 8.449 1.00 23.83 C ATOM 2037 O THR H1102 4.559 -10.546 8.536 1.00 24.45 O ATOM 2038 CB THR H1102 3.038 -9.277 6.380 1.00 25.13 C ATOM 2039 OG1 THR H1102 2.292 -8.242 5.764 1.00 26.88 O ATOM 2040 CG2 THR H1102 2.754 -10.616 5.637 1.00 25.91 C ATOM 2041 HG1 THR H1102 1.326 -8.446 5.835 1.00 0.00 H ATOM 2042 H THR H1102 3.921 -7.776 8.485 1.00 0.00 H ATOM 2043 N LYS H1103 2.616 -11.542 8.848 1.00 23.40 N ATOM 2044 CA LYS H1103 3.284 -12.714 9.437 1.00 26.79 C ATOM 2045 C LYS H1103 3.810 -13.662 8.342 1.00 25.39 C ATOM 2046 O LYS H1103 3.032 -14.217 7.637 1.00 24.75 O ATOM 2047 CB LYS H1103 2.309 -13.485 10.322 1.00 31.44 C ATOM 2048 CG LYS H1103 2.892 -14.763 10.934 1.00 40.30 C ATOM 2049 CD LYS H1103 3.514 -14.602 12.337 1.00 49.55 C ATOM 2050 CE LYS H1103 5.063 -14.617 12.394 1.00 51.54 C ATOM 2051 NZ LYS H1103 5.736 -15.652 11.549 1.00 46.36 N ATOM 2052 HZ1 LYS H1103 5.425 -16.598 11.848 1.00 0.00 H ATOM 2053 HZ2 LYS H1103 5.483 -15.502 10.552 1.00 0.00 H ATOM 2054 HZ3 LYS H1103 6.767 -15.573 11.662 1.00 0.00 H ATOM 2055 H LYS H1103 1.581 -11.515 8.751 1.00 0.00 H ATOM 2056 N LEU H1104 5.122 -13.823 8.221 1.00 24.50 N ATOM 2057 CA LEU H1104 5.745 -14.760 7.271 1.00 25.65 C ATOM 2058 C LEU H1104 6.165 -16.081 7.920 1.00 26.42 C ATOM 2059 O LEU H1104 7.027 -16.128 8.842 1.00 27.39 O ATOM 2060 CB LEU H1104 6.964 -14.116 6.592 1.00 27.37 C ATOM 2061 CG LEU H1104 7.608 -14.886 5.423 1.00 28.52 C ATOM 2062 CD1 LEU H1104 6.593 -15.048 4.318 1.00 30.31 C ATOM 2063 CD2 LEU H1104 8.874 -14.202 4.924 1.00 27.77 C ATOM 2064 H LEU H1104 5.745 -13.256 8.831 1.00 0.00 H ATOM 2065 N THR H1105 5.545 -17.157 7.434 1.00 25.65 N ATOM 2066 CA THR H1105 5.874 -18.516 7.834 1.00 26.94 C ATOM 2067 C THR H1105 6.792 -19.053 6.760 1.00 29.12 C ATOM 2068 O THR H1105 6.498 -18.940 5.583 1.00 26.95 O ATOM 2069 CB THR H1105 4.615 -19.381 7.914 1.00 27.80 C ATOM 2070 OG1 THR H1105 3.857 -18.934 9.012 1.00 26.91 O ATOM 2071 CG2 THR H1105 4.950 -20.908 8.137 1.00 29.26 C ATOM 2072 HG1 THR H1105 3.034 -19.479 9.087 1.00 0.00 H ATOM 2073 H THR H1105 4.789 -17.017 6.734 1.00 0.00 H ATOM 2074 N VAL H1106 7.929 -19.604 7.150 1.00 30.46 N ATOM 2075 CA VAL H1106 8.799 -20.183 6.176 1.00 31.95 C ATOM 2076 C VAL H1106 8.816 -21.679 6.415 1.00 30.94 C ATOM 2077 O VAL H1106 9.044 -22.129 7.529 1.00 33.89 O ATOM 2078 CB VAL H1106 10.193 -19.636 6.278 1.00 30.44 C ATOM 2079 CG1 VAL H1106 11.109 -20.391 5.295 1.00 33.62 C ATOM 2080 CG2 VAL H1106 10.176 -18.147 6.019 1.00 33.89 C ATOM 2081 H VAL H1106 8.188 -19.616 8.157 1.00 0.00 H ATOM 2082 N LEU H1106A 8.158 -22.826 5.647 1.00 36.42 N ATOM 2083 CA LEU H1106A 8.152 -24.266 5.796 1.00 37.40 C ATOM 2084 C LEU H1106A 9.435 -24.845 5.238 1.00 40.87 C ATOM 2085 O LEU H1106A 9.794 -24.562 4.130 1.00 41.02 O ATOM 2086 CB LEU H1106A 6.971 -24.847 5.040 1.00 38.71 C ATOM 2087 CG LEU H1106A 5.684 -24.886 5.824 1.00 40.02 C ATOM 2088 CD1 LEU H1106A 5.374 -23.522 6.341 1.00 46.88 C ATOM 2089 CD2 LEU H1106A 4.519 -25.373 4.996 1.00 40.67 C ATOM 2090 H LEU H1106A 7.589 -22.500 4.840 1.00 0.00 H ATOM 2091 N GLY H1107 10.120 -25.667 6.014 1.00 54.54 N ATOM 2092 CA GLY H1107 11.343 -26.336 5.558 1.00 60.89 C ATOM 2093 C GLY H1107 12.604 -25.592 5.966 1.00 66.59 C ATOM 2094 O GLY H1107 13.718 -25.947 5.548 1.00 71.36 O ATOM 2095 H GLY H1107 9.780 -25.845 6.981 1.00 0.00 H TER 2096 GLY H1107 HETATM 2097 O HOH 1 -0.012 -1.823 -9.646 1.00 30.00 O HETATM 2098 O HOH 2 18.503 -11.469 7.809 1.00 44.36 O HETATM 2099 O HOH 3 -4.650 -2.714 11.464 1.00 57.73 O HETATM 2100 O HOH 4 25.111 -4.379 14.430 1.00 55.13 O HETATM 2101 O HOH 5 24.488 0.667 23.833 1.00 38.20 O HETATM 2102 O HOH 6 3.085 4.048 39.808 1.00 42.94 O HETATM 2103 O HOH 7 -1.159 6.403 40.479 1.00 30.00 O HETATM 2104 O HOH 8 2.257 10.885 36.523 1.00 30.00 O HETATM 2105 O HOH 9 4.630 5.832 39.363 1.00 30.00 O HETATM 2106 O HOH 10 19.866 5.685 32.887 1.00 56.54 O HETATM 2107 O HOH 11 20.525 13.116 10.454 1.00 36.05 O HETATM 2108 O HOH 12 17.535 8.378 12.580 1.00 26.41 O HETATM 2109 O HOH 13 18.110 16.839 10.695 1.00 41.98 O HETATM 2110 O HOH 14 11.612 10.168 12.728 1.00 26.94 O HETATM 2111 O HOH 15 14.806 7.972 12.089 1.00 27.28 O HETATM 2112 O HOH 16 -0.656 -2.366 17.819 1.00 30.00 O HETATM 2113 O HOH 17 2.394 4.581 14.151 1.00 33.99 O HETATM 2114 O HOH 18 22.485 16.542 23.805 1.00 40.11 O HETATM 2115 O HOH 19 9.150 18.371 23.551 1.00 40.03 O HETATM 2116 O HOH 20 4.553 16.278 24.723 1.00 38.24 O HETATM 2117 O HOH 21 6.426 14.457 29.980 1.00 39.77 O HETATM 2118 O HOH 22 12.466 17.644 24.461 1.00 40.13 O HETATM 2119 O HOH 23 16.593 17.171 24.401 1.00 34.44 O HETATM 2120 O HOH 24 27.564 9.599 33.867 1.00 49.65 O HETATM 2121 O HOH 25 10.120 9.649 36.697 1.00 45.79 O HETATM 2122 O HOH 26 6.914 15.858 35.644 1.00 60.05 O HETATM 2123 O HOH 27 -5.763 3.297 32.657 1.00 32.13 O HETATM 2124 O HOH 28 -7.035 1.533 28.041 1.00 42.00 O HETATM 2125 O HOH 29 19.245 8.433 9.081 1.00 40.22 O HETATM 2126 O HOH 30 18.568 1.733 5.137 1.00 44.85 O HETATM 2127 O HOH 31 15.215 0.959 8.194 1.00 37.72 O HETATM 2128 O HOH 32 16.941 7.241 3.417 1.00 36.44 O HETATM 2129 O HOH 33 18.706 -3.365 15.367 1.00 39.52 O HETATM 2130 O HOH 34 14.983 -5.695 19.446 1.00 32.39 O HETATM 2131 O HOH 35 -4.384 1.388 3.692 1.00 34.93 O HETATM 2132 O HOH 36 -2.494 2.331 9.998 1.00 37.59 O HETATM 2133 O HOH 37 -2.293 -3.952 8.173 1.00 33.48 O HETATM 2134 O HOH 38 -1.117 -4.237 1.218 1.00 32.08 O HETATM 2135 O HOH 39 -4.037 -10.323 3.952 1.00 43.88 O HETATM 2136 O HOH 40 1.612 -16.202 0.418 1.00 52.78 O HETATM 2137 O HOH 41 3.707 -19.544 -1.124 1.00 42.44 O HETATM 2138 O HOH 42 11.737 -23.426 -3.785 1.00 37.40 O HETATM 2139 O HOH 43 8.829 -18.240 -6.093 1.00 37.99 O HETATM 2140 O HOH 44 6.648 -12.586 -5.519 1.00 35.42 O HETATM 2141 O HOH 45 -1.525 -0.016 -7.275 1.00 46.96 O HETATM 2142 O HOH 46 -7.714 7.148 -2.349 1.00 43.51 O HETATM 2143 O HOH 47 3.131 5.482 -6.462 1.00 43.28 O HETATM 2144 O HOH 48 7.467 8.450 -5.879 1.00 36.98 O HETATM 2145 O HOH 49 11.842 7.264 -0.158 1.00 36.97 O HETATM 2146 O HOH 50 5.130 12.841 3.662 1.00 37.73 O HETATM 2147 O HOH 51 9.517 -0.157 -0.076 1.00 24.93 O HETATM 2148 O HOH 52 16.372 -12.864 8.258 1.00 29.23 O HETATM 2149 O HOH 53 20.608 -12.429 0.858 1.00 37.35 O HETATM 2150 O HOH 54 17.274 -8.931 -3.943 1.00 30.00 O HETATM 2151 O HOH 55 0.820 -2.550 -6.669 1.00 46.81 O HETATM 2152 O HOH 56 18.368 -15.906 -1.051 1.00 33.83 O HETATM 2153 O HOH 57 13.405 -16.286 12.129 1.00 39.60 O HETATM 2154 O HOH 58 7.767 -18.337 14.244 1.00 41.28 O HETATM 2155 O HOH 59 1.568 13.609 4.044 1.00 49.67 O HETATM 2156 O HOH 60 15.224 15.801 6.900 1.00 33.80 O HETATM 2157 O HOH 61 13.375 9.800 10.450 1.00 25.47 O HETATM 2158 N ALA A 62 12.937 14.127 3.811 1.00 0.24 N HETATM 2159 CA ALA A 62 12.109 14.877 4.792 1.00 0.06 C HETATM 2160 C ALA A 62 12.187 14.334 6.235 1.00 0.23 C HETATM 2161 O ALA A 62 12.309 15.144 7.148 1.00 -0.39 O HETATM 2162 N ALA A 62 12.144 12.985 6.439 1.00 -0.25 N HETATM 2163 CA ALA A 62 12.618 12.482 7.733 1.00 0.13 C HETATM 2164 C ALA A 62 14.152 12.401 7.720 1.00 0.20 C HETATM 2165 O ALA A 62 14.801 13.029 6.887 1.00 -0.39 O HETATM 2166 N ALA A 62 14.754 11.652 8.630 1.00 -0.26 N HETATM 2167 CA ALA A 62 16.197 11.601 8.674 1.00 0.14 C HETATM 2168 C ALA A 62 16.733 10.725 7.523 1.00 0.21 C HETATM 2169 O ALA A 62 16.854 9.493 7.648 1.00 -0.39 O HETATM 2170 N ALA A 62 17.058 11.408 6.424 1.00 -0.26 N HETATM 2171 CA ALA A 62 17.563 10.793 5.186 1.00 0.15 C HETATM 2172 C ALA A 62 19.082 10.580 5.189 1.00 0.21 C HETATM 2173 O ALA A 62 19.665 10.183 4.171 1.00 -0.39 O HETATM 2174 N ALA A 62 19.729 10.823 6.325 1.00 -0.26 N HETATM 2175 CA ALA A 62 21.162 10.690 6.417 1.00 0.13 C HETATM 2176 C ALA A 62 21.544 9.193 6.287 1.00 0.21 C HETATM 2177 O ALA A 62 21.063 8.370 7.046 1.00 -0.39 O HETATM 2178 N ALA A 62 22.425 8.843 5.339 1.00 -0.26 N HETATM 2179 CA ALA A 62 22.910 7.443 5.195 1.00 0.10 C HETATM 2180 C ALA A 62 23.595 6.805 6.418 1.00 0.06 C HETATM 2181 O ALA A 62 24.087 7.512 7.297 1.00 -0.57 O HETATM 2182 OXT ALA A 62 23.658 5.581 6.530 1.00 -0.57 O HETATM 2183 CB ALA A 62 23.904 7.523 4.029 1.00 -0.02 C HETATM 2184 CG ALA A 62 24.172 8.977 3.795 1.00 -0.03 C HETATM 2185 CD ALA A 62 22.988 9.742 4.312 1.00 0.04 C HETATM 2186 H42 ALA A 62 23.300 10.699 4.755 1.00 0.05 H HETATM 2187 H43 ALA A 62 22.259 9.929 3.510 1.00 0.05 H HETATM 2188 H40 ALA A 62 24.301 9.167 2.719 1.00 0.03 H HETATM 2189 H41 ALA A 62 25.081 9.283 4.333 1.00 0.03 H HETATM 2190 H38 ALA A 62 23.469 7.067 3.127 1.00 0.03 H HETATM 2191 H39 ALA A 62 24.837 7.002 4.289 1.00 0.03 H HETATM 2192 H37 ALA A 62 22.058 6.803 4.923 1.00 0.07 H HETATM 2193 CB ALA A 62 21.650 11.228 7.770 1.00 -0.01 C HETATM 2194 CG ALA A 62 23.058 11.797 7.747 1.00 -0.02 C HETATM 2195 CD ALA A 62 23.866 11.473 8.998 1.00 0.06 C HETATM 2196 NE ALA A 62 25.243 11.199 8.615 1.00 -0.27 N HETATM 2197 CZ ALA A 62 26.132 10.561 9.371 1.00 0.29 C HETATM 2198 NH1 ALA A 62 25.821 10.152 10.586 1.00 -0.28 N HETATM 2199 H33 ALA A 62 26.521 9.659 11.159 1.00 0.26 H HETATM 2200 H34 ALA A 62 24.878 10.325 10.962 1.00 0.26 H HETATM 2201 NH2 ALA A 62 27.352 10.344 8.916 1.00 -0.28 N HETATM 2202 H35 ALA A 62 27.612 10.657 7.970 1.00 0.26 H HETATM 2203 H36 ALA A 62 28.044 9.862 9.507 1.00 0.26 H HETATM 2204 H32 ALA A 62 25.553 11.524 7.688 1.00 0.26 H HETATM 2205 H30 ALA A 62 23.439 10.589 9.495 1.00 0.07 H HETATM 2206 H31 ALA A 62 23.838 12.330 9.687 1.00 0.07 H HETATM 2207 H28 ALA A 62 22.990 12.891 7.650 1.00 0.03 H HETATM 2208 H29 ALA A 62 23.586 11.384 6.875 1.00 0.03 H HETATM 2209 H26 ALA A 62 21.624 10.404 8.498 1.00 0.03 H HETATM 2210 H27 ALA A 62 20.962 12.024 8.092 1.00 0.03 H HETATM 2211 H25 ALA A 62 21.635 11.262 5.605 1.00 0.08 H HETATM 2212 H24 ALA A 62 19.211 11.104 7.133 1.00 0.19 H HETATM 2213 CB ALA A 62 17.142 11.626 3.940 1.00 0.08 C HETATM 2214 OG ALA A 62 17.919 12.821 3.738 1.00 -0.39 O HETATM 2215 H23 ALA A 62 17.606 13.274 2.964 1.00 0.21 H HETATM 2216 H21 ALA A 62 16.088 11.916 4.059 1.00 0.06 H HETATM 2217 H22 ALA A 62 17.249 10.991 3.048 1.00 0.06 H HETATM 2218 H20 ALA A 62 17.094 9.802 5.102 1.00 0.08 H HETATM 2219 H19 ALA A 62 16.952 12.402 6.443 1.00 0.19 H HETATM 2220 CB ALA A 62 16.648 11.096 10.017 1.00 0.04 C HETATM 2221 CG ALA A 62 18.134 11.161 10.199 1.00 0.04 C HETATM 2222 OD1 ALA A 62 18.846 11.569 9.271 1.00 -0.57 O HETATM 2223 OD2 ALA A 62 18.605 10.731 11.261 1.00 -0.57 O HETATM 2224 H17 ALA A 62 16.328 10.049 10.123 1.00 0.05 H HETATM 2225 H18 ALA A 62 16.172 11.706 10.799 1.00 0.05 H HETATM 2226 H16 ALA A 62 16.588 12.620 8.540 1.00 0.08 H HETATM 2227 H15 ALA A 62 14.213 11.124 9.284 1.00 0.19 H HETATM 2228 CB ALA A 62 11.920 11.117 7.849 1.00 -0.01 C HETATM 2229 CG ALA A 62 11.821 10.671 6.438 1.00 -0.03 C HETATM 2230 CD ALA A 62 11.607 11.888 5.604 1.00 0.04 C HETATM 2231 H13 ALA A 62 12.156 11.814 4.654 1.00 0.05 H HETATM 2232 H14 ALA A 62 10.537 12.039 5.399 1.00 0.05 H HETATM 2233 H11 ALA A 62 10.973 9.980 6.320 1.00 0.03 H HETATM 2234 H12 ALA A 62 12.751 10.166 6.136 1.00 0.03 H HETATM 2235 H9 ALA A 62 10.923 11.220 8.302 1.00 0.03 H HETATM 2236 H10 ALA A 62 12.522 10.415 8.444 1.00 0.03 H HETATM 2237 H8 ALA A 62 12.302 13.141 8.555 1.00 0.08 H HETATM 2238 CB ALA A 62 10.693 15.006 4.336 1.00 -0.00 C HETATM 2239 H5 ALA A 62 10.116 15.565 5.087 1.00 0.03 H HETATM 2240 H6 ALA A 62 10.256 14.005 4.209 1.00 0.03 H HETATM 2241 H7 ALA A 62 10.664 15.543 3.377 1.00 0.03 H HETATM 2242 H4 ALA A 62 12.524 15.895 4.825 1.00 0.11 H HETATM 2243 H1 ALA A 62 12.833 14.540 2.898 1.00 0.20 H HETATM 2244 H2 ALA A 62 12.634 13.166 3.781 1.00 0.20 H HETATM 2245 H3 ALA A 62 13.905 14.166 4.089 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 181 180 957 CONECT 957 181 956 CONECT 1120 1121 1127 1128 1129 CONECT 1127 1120 CONECT 1128 1120 CONECT 1129 1120 CONECT 1289 1288 1906 CONECT 1906 1289 1905 CONECT 2158 2159 2243 2244 2245 CONECT 2159 2158 2160 2238 2242 CONECT 2160 2159 2161 2162 CONECT 2161 2160 CONECT 2162 2160 2163 2230 CONECT 2163 2162 2164 2228 2237 CONECT 2164 2163 2165 2166 CONECT 2165 2164 CONECT 2166 2164 2167 2227 CONECT 2167 2166 2168 2220 2226 CONECT 2168 2167 2169 2170 CONECT 2169 2168 CONECT 2170 2168 2171 2219 CONECT 2171 2170 2172 2213 2218 CONECT 2172 2171 2173 2174 CONECT 2173 2172 CONECT 2174 2172 2175 2212 CONECT 2175 2174 2176 2193 2211 CONECT 2176 2175 2177 2178 CONECT 2177 2176 CONECT 2178 2176 2179 2185 CONECT 2179 2178 2180 2183 2192 CONECT 2180 2179 2181 2182 CONECT 2181 2180 CONECT 2182 2180 CONECT 2183 2179 2184 2190 2191 CONECT 2184 2183 2185 2188 2189 CONECT 2185 2178 2184 2186 2187 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2184 CONECT 2189 2184 CONECT 2190 2183 CONECT 2191 2183 CONECT 2192 2179 CONECT 2193 2175 2194 2209 2210 CONECT 2194 2193 2195 2207 2208 CONECT 2195 2194 2196 2205 2206 CONECT 2196 2195 2197 2204 CONECT 2197 2196 2198 2201 CONECT 2198 2197 2199 2200 CONECT 2199 2198 CONECT 2200 2198 CONECT 2201 2197 2202 2203 CONECT 2202 2201 CONECT 2203 2201 CONECT 2204 2196 CONECT 2205 2195 CONECT 2206 2195 CONECT 2207 2194 CONECT 2208 2194 CONECT 2209 2193 CONECT 2210 2193 CONECT 2211 2175 CONECT 2212 2174 CONECT 2213 2171 2214 2216 2217 CONECT 2214 2213 2215 CONECT 2215 2214 CONECT 2216 2213 CONECT 2217 2213 CONECT 2218 2171 CONECT 2219 2170 CONECT 2220 2167 2221 2224 2225 CONECT 2221 2220 2222 2223 CONECT 2222 2221 CONECT 2223 2221 CONECT 2224 2220 CONECT 2225 2220 CONECT 2226 2167 CONECT 2227 2166 CONECT 2228 2163 2229 2235 2236 CONECT 2229 2228 2230 2233 2234 CONECT 2230 2162 2229 2231 2232 CONECT 2231 2230 CONECT 2232 2230 CONECT 2233 2229 CONECT 2234 2229 CONECT 2235 2228 CONECT 2236 2228 CONECT 2237 2163 CONECT 2238 2159 2239 2240 2241 CONECT 2239 2238 CONECT 2240 2238 CONECT 2241 2238 CONECT 2242 2159 CONECT 2243 2158 CONECT 2244 2158 CONECT 2245 2158 MASTER 0 0 0 0 0 0 0 0 2243 2 100 18 END
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Protein Sequence Similarity
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PDB Code
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6-mer
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PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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6-mer
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PDBbind
6-mer
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6-mer
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PDBbind
6-mer
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RCSB PDB
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6-mer
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RCSB PDB
PDBbind
6-mer
1rhk
RCSB PDB
PDBbind
6-mer
1sld
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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PDBbind
6-mer
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PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
1ym2
RCSB PDB
PDBbind
6-mer
1zfp
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
2h6t
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
2itk
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
2oqs
RCSB PDB
PDBbind
6-mer
2q6f
RCSB PDB
PDBbind
6-mer
2qzx
RCSB PDB
PDBbind
6-mer
2r0z
RCSB PDB
PDBbind
6-mer
2w76
RCSB PDB
PDBbind
6-mer
2x6x
RCSB PDB
PDBbind
6-mer
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PDBbind
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PDBbind
6-mer
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
6-mer
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PDBbind
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PDBbind
6-mer
3rjm
RCSB PDB
PDBbind
6-mer
3sm1
RCSB PDB
PDBbind
6-mer
3sna
RCSB PDB
PDBbind
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PDBbind
6-mer
3snc
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
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3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
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PDBbind
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RCSB PDB
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6-mer
4b3b
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PDBbind
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RCSB PDB
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6-mer
4fr3
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PDBbind
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RCSB PDB
PDBbind
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4gzf
RCSB PDB
PDBbind
6-mer
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RCSB PDB
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6-mer
4ikn
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RCSB PDB
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6-mer
4j79
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PDBbind
6-mer
4j86
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PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
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4jj8
RCSB PDB
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PDBbind
6-mer
4jr0
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PDBbind
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PDBbind
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4k3r
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PDBbind
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PDBbind
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PDBbind
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4ou3
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
5a2i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
scFv-SM3
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
1.88(Å)
Affinity (Kd/Ki/IC50)
Kd=8.8uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 9830-9834
Ligand Properties
Formula
C
2
6
H
4
5
N
9
O
1
0
Molecular Weight
643.690
Exact Mass
643.329
No. of atoms
90
No. of bonds
91
Polar Surface Area
316.4
LOGP Value
-2.34 (
Computed with XLOGP3
)
-4.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C)CC(=O)O
InChI String
InChI=1S/C26H43N9O10/c1-13(27)23(42)34-9-3-6-17(34)22(41)32-15(11-19(37)38)20(39)33-16(12-36)21(40)31-14(5-2-8-30-26(28)29)24(43)35-10-4-7-18(35)25(44)45/h13-18,36H,2-12,27H2,1H3,(H,31,40)(H,32,41)(H,33,39)(H,37,38)(H,44,45)(H4,28,29,30)/p+2/t13-,14-,15-,16-,17-,18-/m0/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):
P01727
P01801
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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