Browse entries in the PDBbind-CN Database
HEADER 6FRJ_COMPLEX COMPND 6FRJ_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 110 ASP ILE VAL VAL THR GLN GLU SER ALA LEU THR THR SER SEQRES 2 H 110 PRO GLY GLU THR VAL THR LEU THR CYS ARG SER SER THR SEQRES 3 H 110 GLY ALA VAL THR THR SER ASN TYR ALA ASN TRP VAL GLN SEQRES 4 H 110 GLU LYS PRO ASP HIS LEU PHE THR GLY LEU ILE GLY GLY SEQRES 5 H 110 THR ASN ASN ARG ALA PRO GLY VAL PRO ALA ARG PHE SER SEQRES 6 H 110 GLY SER LEU ILE GLY ASP LYS ALA ALA LEU THR ILE THR SEQRES 7 H 110 GLY ALA GLN THR GLU ASP GLU ALA ILE TYR PHE CYS ALA SEQRES 8 H 110 LEU TRP TYR SER ASN HIS TRP VAL PHE GLY GLY GLY THR SEQRES 9 H 110 LYS LEU THR VAL LEU GLY HET ALA A 390 124 SSBOND 1 CYS H 22 CYS H 98 SSBOND 2 CYS H 1029 CYS H 1097 ATOM 1 N GLN H 1 30.487 -2.358 15.437 1.00 42.05 N ATOM 2 CA GLN H 1 29.164 -2.718 16.032 1.00 41.17 C ATOM 3 C GLN H 1 28.497 -1.499 16.671 1.00 40.25 C ATOM 4 O GLN H 1 28.908 -1.048 17.742 1.00 42.05 O ATOM 5 CB GLN H 1 29.316 -3.831 17.074 1.00 40.99 C ATOM 6 HN3 GLN H 1 31.112 -1.989 16.182 1.00 0.00 H ATOM 7 HN2 GLN H 1 30.351 -1.631 14.706 1.00 0.00 H ATOM 8 HN1 GLN H 1 30.916 -3.204 15.011 1.00 0.00 H ATOM 9 N VAL H 2 27.484 -0.963 15.990 1.00 38.60 N ATOM 10 CA VAL H 2 26.646 0.103 16.538 1.00 36.18 C ATOM 11 C VAL H 2 25.777 -0.483 17.647 1.00 34.34 C ATOM 12 O VAL H 2 25.271 -1.603 17.523 1.00 34.01 O ATOM 13 CB VAL H 2 25.757 0.747 15.442 1.00 35.82 C ATOM 14 CG1 VAL H 2 24.684 1.662 16.040 1.00 35.54 C ATOM 15 CG2 VAL H 2 26.628 1.505 14.450 1.00 35.93 C ATOM 16 H VAL H 2 27.282 -1.316 15.033 1.00 0.00 H ATOM 17 N GLN H 3 25.620 0.277 18.730 1.00 32.80 N ATOM 18 CA GLN H 3 24.725 -0.104 19.815 1.00 32.23 C ATOM 19 C GLN H 3 23.840 1.070 20.208 1.00 29.18 C ATOM 20 O GLN H 3 24.304 2.204 20.331 1.00 27.85 O ATOM 21 CB GLN H 3 25.513 -0.610 21.025 1.00 34.38 C ATOM 22 CG GLN H 3 24.629 -1.183 22.131 1.00 36.73 C ATOM 23 CD GLN H 3 25.380 -2.042 23.140 1.00 38.63 C ATOM 24 OE1 GLN H 3 26.595 -2.231 23.048 1.00 41.76 O ATOM 25 NE2 GLN H 3 24.647 -2.573 24.114 1.00 40.32 N ATOM 26 HE22 GLN H 3 23.624 -2.388 24.155 1.00 0.00 H ATOM 27 HE21 GLN H 3 25.096 -3.173 24.835 1.00 0.00 H ATOM 28 H GLN H 3 26.152 1.168 18.803 1.00 0.00 H ATOM 29 N LEU H 4 22.551 0.783 20.361 1.00 25.94 N ATOM 30 CA LEU H 4 21.598 1.700 20.959 1.00 24.63 C ATOM 31 C LEU H 4 21.022 0.994 22.175 1.00 24.07 C ATOM 32 O LEU H 4 20.779 -0.215 22.134 1.00 24.40 O ATOM 33 CB LEU H 4 20.492 2.043 19.966 1.00 23.31 C ATOM 34 CG LEU H 4 20.877 2.897 18.763 1.00 23.45 C ATOM 35 CD1 LEU H 4 19.797 2.832 17.696 1.00 23.06 C ATOM 36 CD2 LEU H 4 21.109 4.345 19.171 1.00 23.86 C ATOM 37 H LEU H 4 22.209 -0.144 20.036 1.00 0.00 H ATOM 38 N GLN H 5 20.823 1.734 23.261 1.00 24.27 N ATOM 39 CA GLN H 5 20.324 1.144 24.497 1.00 24.59 C ATOM 40 C GLN H 5 19.309 2.048 25.176 1.00 23.55 C ATOM 41 O GLN H 5 19.665 3.082 25.740 1.00 23.35 O ATOM 42 CB GLN H 5 21.485 0.825 25.447 1.00 27.02 C ATOM 43 CG GLN H 5 21.073 0.057 26.699 1.00 29.54 C ATOM 44 CD GLN H 5 22.244 -0.280 27.609 1.00 32.33 C ATOM 45 OE1 GLN H 5 22.151 -0.139 28.830 1.00 36.13 O ATOM 46 NE2 GLN H 5 23.347 -0.733 27.023 1.00 33.90 N ATOM 47 HE22 GLN H 5 23.381 -0.836 25.989 1.00 0.00 H ATOM 48 HE21 GLN H 5 24.176 -0.984 27.599 1.00 0.00 H ATOM 49 H GLN H 5 21.027 2.753 23.228 1.00 0.00 H ATOM 50 N GLU H 6 18.050 1.626 25.146 1.00 22.02 N ATOM 51 CA GLU H 6 16.967 2.372 25.764 1.00 21.67 C ATOM 52 C GLU H 6 16.876 1.999 27.239 1.00 21.44 C ATOM 53 O GLU H 6 17.274 0.904 27.638 1.00 22.35 O ATOM 54 CB GLU H 6 15.621 2.068 25.087 1.00 21.08 C ATOM 55 CG GLU H 6 15.578 2.330 23.585 1.00 21.14 C ATOM 56 CD GLU H 6 16.048 1.158 22.737 1.00 21.21 C ATOM 57 OE1 GLU H 6 16.629 0.191 23.295 1.00 20.57 O ATOM 58 OE2 GLU H 6 15.845 1.199 21.499 1.00 21.35 O ATOM 59 H GLU H 6 17.832 0.731 24.664 1.00 0.00 H ATOM 60 N SER H 7 16.328 2.911 28.032 1.00 20.90 N ATOM 61 CA SER H 7 16.040 2.655 29.437 1.00 20.65 C ATOM 62 C SER H 7 14.942 3.595 29.903 1.00 20.49 C ATOM 63 O SER H 7 14.644 4.585 29.229 1.00 20.18 O ATOM 64 CB SER H 7 17.293 2.872 30.279 1.00 21.74 C ATOM 65 OG SER H 7 17.769 4.188 30.100 1.00 22.67 O ATOM 66 HG SER H 7 17.071 4.831 30.380 1.00 0.00 H ATOM 67 H SER H 7 16.095 3.844 27.636 1.00 0.00 H ATOM 68 N GLY H 8 14.373 3.290 31.068 1.00 20.82 N ATOM 69 CA GLY H 8 13.419 4.172 31.730 1.00 21.26 C ATOM 70 C GLY H 8 11.979 3.700 31.736 1.00 21.58 C ATOM 71 O GLY H 8 11.130 4.333 32.360 1.00 22.20 O ATOM 72 H GLY H 8 14.619 2.388 31.523 1.00 0.00 H ATOM 73 N GLY H 9 11.690 2.598 31.042 1.00 21.10 N ATOM 74 CA GLY H 9 10.346 2.043 31.016 1.00 21.06 C ATOM 75 C GLY H 9 9.910 1.449 32.345 1.00 20.89 C ATOM 76 O GLY H 9 10.650 1.476 33.337 1.00 21.49 O ATOM 77 H GLY H 9 12.445 2.124 30.506 1.00 0.00 H ATOM 78 N GLY H 10 8.698 0.916 32.372 1.00 20.72 N ATOM 79 CA GLY H 10 8.177 0.299 33.578 1.00 21.93 C ATOM 80 C GLY H 10 6.682 0.113 33.544 1.00 23.14 C ATOM 81 O GLY H 10 6.091 -0.040 32.474 1.00 24.00 O ATOM 82 H GLY H 10 8.110 0.940 31.515 1.00 0.00 H ATOM 83 N LEU H 11 6.087 0.142 34.733 1.00 24.62 N ATOM 84 CA LEU H 11 4.679 -0.141 34.949 1.00 25.49 C ATOM 85 C LEU H 11 4.089 1.088 35.616 1.00 25.80 C ATOM 86 O LEU H 11 4.415 1.377 36.768 1.00 24.45 O ATOM 87 CB LEU H 11 4.544 -1.367 35.861 1.00 26.39 C ATOM 88 CG LEU H 11 3.209 -2.120 35.989 1.00 28.37 C ATOM 89 CD1 LEU H 11 3.190 -2.901 37.296 1.00 28.28 C ATOM 90 CD2 LEU H 11 1.966 -1.247 35.893 1.00 30.30 C ATOM 91 H LEU H 11 6.667 0.383 35.562 1.00 0.00 H ATOM 92 N VAL H 12 3.220 1.801 34.903 1.00 25.96 N ATOM 93 CA VAL H 12 2.657 3.076 35.366 1.00 28.13 C ATOM 94 C VAL H 12 1.143 3.106 35.187 1.00 29.30 C ATOM 95 O VAL H 12 0.577 2.240 34.521 1.00 28.83 O ATOM 96 CB VAL H 12 3.299 4.290 34.647 1.00 29.31 C ATOM 97 CG1 VAL H 12 4.785 4.368 34.968 1.00 30.50 C ATOM 98 CG2 VAL H 12 3.081 4.242 33.136 1.00 30.51 C ATOM 99 H VAL H 12 2.926 1.438 33.974 1.00 0.00 H ATOM 100 N GLN H 13 0.493 4.100 35.792 1.00 31.30 N ATOM 101 CA GLN H 13 -0.963 4.256 35.691 1.00 32.33 C ATOM 102 C GLN H 13 -1.337 5.337 34.673 1.00 30.42 C ATOM 103 O GLN H 13 -0.516 6.212 34.367 1.00 29.49 O ATOM 104 CB GLN H 13 -1.575 4.569 37.059 1.00 35.48 C ATOM 105 CG GLN H 13 -1.614 3.357 37.983 1.00 37.54 C ATOM 106 CD GLN H 13 -1.479 3.721 39.446 1.00 38.79 C ATOM 107 OE1 GLN H 13 -0.534 3.300 40.111 1.00 40.29 O ATOM 108 NE2 GLN H 13 -2.418 4.514 39.953 1.00 40.52 N ATOM 109 HE22 GLN H 13 -3.199 4.845 39.352 1.00 0.00 H ATOM 110 HE21 GLN H 13 -2.371 4.803 40.951 1.00 0.00 H ATOM 111 H GLN H 13 1.035 4.787 36.354 1.00 0.00 H ATOM 112 N PRO H 14 -2.579 5.279 34.141 1.00 30.33 N ATOM 113 CA PRO H 14 -3.032 6.320 33.216 1.00 30.29 C ATOM 114 C PRO H 14 -2.999 7.710 33.842 1.00 30.02 C ATOM 115 O PRO H 14 -3.245 7.852 35.045 1.00 29.94 O ATOM 116 CB PRO H 14 -4.475 5.913 32.895 1.00 30.53 C ATOM 117 CG PRO H 14 -4.528 4.455 33.158 1.00 30.97 C ATOM 118 CD PRO H 14 -3.597 4.223 34.306 1.00 31.10 C ATOM 119 N GLY H 15 -2.677 8.713 33.029 1.00 29.95 N ATOM 120 CA GLY H 15 -2.503 10.092 33.492 1.00 30.65 C ATOM 121 C GLY H 15 -1.087 10.454 33.916 1.00 31.02 C ATOM 122 O GLY H 15 -0.755 11.636 33.995 1.00 33.32 O ATOM 123 H GLY H 15 -2.543 8.509 32.018 1.00 0.00 H ATOM 124 N GLY H 16 -0.245 9.451 34.175 1.00 31.36 N ATOM 125 CA GLY H 16 1.104 9.681 34.680 1.00 30.79 C ATOM 126 C GLY H 16 2.095 10.139 33.625 1.00 30.36 C ATOM 127 O GLY H 16 1.747 10.304 32.447 1.00 29.54 O ATOM 128 H GLY H 16 -0.561 8.474 34.011 1.00 0.00 H ATOM 129 N SER H 17 3.334 10.343 34.070 1.00 29.97 N ATOM 130 CA SER H 17 4.441 10.762 33.213 1.00 29.77 C ATOM 131 C SER H 17 5.639 9.833 33.369 1.00 28.12 C ATOM 132 O SER H 17 5.808 9.178 34.395 1.00 28.23 O ATOM 133 CB SER H 17 4.873 12.195 33.535 1.00 30.55 C ATOM 134 OG SER H 17 3.913 13.147 33.109 1.00 32.58 O ATOM 135 HG SER H 17 3.052 12.973 33.566 1.00 0.00 H ATOM 136 H SER H 17 3.524 10.196 35.082 1.00 0.00 H ATOM 137 N MET H 18 6.480 9.810 32.340 1.00 26.96 N ATOM 138 CA MET H 18 7.645 8.938 32.285 1.00 26.13 C ATOM 139 C MET H 18 8.615 9.498 31.251 1.00 24.51 C ATOM 140 O MET H 18 8.174 9.975 30.207 1.00 25.91 O ATOM 141 CB MET H 18 7.194 7.526 31.883 1.00 27.55 C ATOM 142 CG MET H 18 8.303 6.534 31.567 1.00 28.47 C ATOM 143 SD MET H 18 7.684 4.841 31.499 1.00 29.46 S ATOM 144 CE MET H 18 7.737 4.369 33.223 1.00 30.35 C ATOM 145 H MET H 18 6.297 10.445 31.536 1.00 0.00 H ATOM 146 N LYS H 19 9.914 9.438 31.538 1.00 22.91 N ATOM 147 CA LYS H 19 10.944 9.830 30.572 1.00 22.22 C ATOM 148 C LYS H 19 11.823 8.644 30.196 1.00 21.59 C ATOM 149 O LYS H 19 12.426 8.009 31.057 1.00 21.45 O ATOM 150 CB LYS H 19 11.819 10.962 31.112 1.00 23.04 C ATOM 151 CG LYS H 19 12.689 11.612 30.045 1.00 24.20 C ATOM 152 CD LYS H 19 13.392 12.850 30.576 1.00 25.49 C ATOM 153 CE LYS H 19 14.190 13.538 29.485 1.00 26.83 C ATOM 154 NZ LYS H 19 14.693 14.869 29.929 1.00 27.85 N ATOM 155 HZ1 LYS H 19 13.887 15.477 30.180 1.00 0.00 H ATOM 156 HZ2 LYS H 19 15.308 14.747 30.759 1.00 0.00 H ATOM 157 HZ3 LYS H 19 15.234 15.309 29.157 1.00 0.00 H ATOM 158 H LYS H 19 10.207 9.102 32.478 1.00 0.00 H ATOM 159 N LEU H 20 11.895 8.362 28.899 1.00 19.51 N ATOM 160 CA LEU H 20 12.771 7.323 28.369 1.00 19.64 C ATOM 161 C LEU H 20 14.065 7.946 27.893 1.00 19.79 C ATOM 162 O LEU H 20 14.066 9.076 27.416 1.00 19.67 O ATOM 163 CB LEU H 20 12.101 6.608 27.195 1.00 19.19 C ATOM 164 CG LEU H 20 10.680 6.106 27.435 1.00 19.05 C ATOM 165 CD1 LEU H 20 10.199 5.351 26.199 1.00 19.12 C ATOM 166 CD2 LEU H 20 10.562 5.233 28.677 1.00 19.31 C ATOM 167 H LEU H 20 11.304 8.903 28.236 1.00 0.00 H ATOM 168 N SER H 21 15.148 7.182 27.999 1.00 20.93 N ATOM 169 CA SER H 21 16.469 7.587 27.530 1.00 21.43 C ATOM 170 C SER H 21 16.978 6.541 26.556 1.00 21.77 C ATOM 171 O SER H 21 16.575 5.381 26.617 1.00 22.35 O ATOM 172 CB SER H 21 17.443 7.696 28.708 1.00 22.37 C ATOM 173 OG SER H 21 17.059 8.738 29.584 1.00 23.91 O ATOM 174 HG SER H 21 16.152 8.554 29.936 1.00 0.00 H ATOM 175 H SER H 21 15.048 6.245 28.440 1.00 0.00 H ATOM 176 N CYS H 22 17.848 6.961 25.647 1.00 22.33 N ATOM 177 CA CYS H 22 18.541 6.040 24.756 1.00 23.36 C ATOM 178 C CYS H 22 19.951 6.558 24.540 1.00 23.61 C ATOM 179 O CYS H 22 20.122 7.700 24.131 1.00 23.46 O ATOM 180 CB CYS H 22 17.802 5.922 23.420 1.00 24.48 C ATOM 181 SG CYS H 22 18.786 5.219 22.065 1.00 27.31 S ATOM 182 H CYS H 22 18.041 7.980 25.568 1.00 0.00 H ATOM 183 N VAL H 23 20.945 5.710 24.792 1.00 23.64 N ATOM 184 CA VAL H 23 22.347 6.075 24.583 1.00 24.31 C ATOM 185 C VAL H 23 22.892 5.316 23.373 1.00 23.74 C ATOM 186 O VAL H 23 22.657 4.111 23.227 1.00 24.17 O ATOM 187 CB VAL H 23 23.218 5.857 25.849 1.00 24.83 C ATOM 188 CG1 VAL H 23 23.147 4.423 26.375 1.00 25.41 C ATOM 189 CG2 VAL H 23 24.664 6.267 25.590 1.00 25.77 C ATOM 190 H VAL H 23 20.719 4.759 25.148 1.00 0.00 H ATOM 191 N ALA H 24 23.598 6.044 22.512 1.00 23.05 N ATOM 192 CA ALA H 24 24.104 5.531 21.236 1.00 23.76 C ATOM 193 C ALA H 24 25.627 5.446 21.225 1.00 25.50 C ATOM 194 O ALA H 24 26.302 6.264 21.847 1.00 25.28 O ATOM 195 CB ALA H 24 23.631 6.429 20.111 1.00 23.34 C ATOM 196 H ALA H 24 23.802 7.033 22.758 1.00 0.00 H ATOM 197 N SER H 25 26.151 4.451 20.508 1.00 26.44 N ATOM 198 CA SER H 25 27.601 4.297 20.297 1.00 27.76 C ATOM 199 C SER H 25 27.891 3.638 18.953 1.00 28.17 C ATOM 200 O SER H 25 27.046 2.928 18.408 1.00 27.66 O ATOM 201 CB SER H 25 28.238 3.482 21.429 1.00 28.43 C ATOM 202 OG SER H 25 27.752 2.153 21.474 1.00 29.83 O ATOM 203 HG SER H 25 28.190 1.668 22.217 1.00 0.00 H ATOM 204 H SER H 25 25.509 3.754 20.080 1.00 0.00 H ATOM 205 N GLY H 26 29.086 3.889 18.420 1.00 28.62 N ATOM 206 CA GLY H 26 29.554 3.243 17.188 1.00 29.02 C ATOM 207 C GLY H 26 29.295 3.979 15.884 1.00 28.98 C ATOM 208 O GLY H 26 29.686 3.498 14.817 1.00 29.99 O ATOM 209 H GLY H 26 29.712 4.570 18.896 1.00 0.00 H ATOM 210 N PHE H 27 28.615 5.122 15.948 1.00 28.14 N ATOM 211 CA PHE H 27 28.405 5.975 14.779 1.00 27.57 C ATOM 212 C PHE H 27 28.391 7.433 15.224 1.00 26.74 C ATOM 213 O PHE H 27 28.298 7.722 16.422 1.00 27.14 O ATOM 214 CB PHE H 27 27.125 5.583 14.013 1.00 27.25 C ATOM 215 CG PHE H 27 25.836 5.849 14.757 1.00 26.81 C ATOM 216 CD1 PHE H 27 25.458 5.050 15.829 1.00 27.22 C ATOM 217 CD2 PHE H 27 24.980 6.875 14.354 1.00 26.40 C ATOM 218 CE1 PHE H 27 24.265 5.284 16.505 1.00 27.24 C ATOM 219 CE2 PHE H 27 23.784 7.113 15.028 1.00 26.47 C ATOM 220 CZ PHE H 27 23.429 6.316 16.103 1.00 26.29 C ATOM 221 H PHE H 27 28.219 5.419 16.863 1.00 0.00 H ATOM 222 N THR H 28 28.500 8.345 14.264 1.00 26.41 N ATOM 223 CA THR H 28 28.522 9.772 14.566 1.00 26.53 C ATOM 224 C THR H 28 27.089 10.250 14.837 1.00 25.34 C ATOM 225 O THR H 28 26.444 10.817 13.969 1.00 24.91 O ATOM 226 CB THR H 28 29.188 10.578 13.435 1.00 27.05 C ATOM 227 OG1 THR H 28 30.462 9.997 13.132 1.00 27.88 O ATOM 228 CG2 THR H 28 29.385 12.034 13.841 1.00 27.35 C ATOM 229 HG1 THR H 28 31.034 10.020 13.939 1.00 0.00 H ATOM 230 H THR H 28 28.571 8.034 13.274 1.00 0.00 H ATOM 231 N PHE H 29 26.634 10.011 16.065 1.00 25.70 N ATOM 232 CA PHE H 29 25.267 10.310 16.528 1.00 25.54 C ATOM 233 C PHE H 29 24.766 11.697 16.111 1.00 25.58 C ATOM 234 O PHE H 29 23.657 11.828 15.594 1.00 25.47 O ATOM 235 CB PHE H 29 25.226 10.142 18.054 1.00 25.64 C ATOM 236 CG PHE H 29 23.917 10.513 18.691 1.00 25.10 C ATOM 237 CD1 PHE H 29 22.900 9.575 18.811 1.00 25.13 C ATOM 238 CD2 PHE H 29 23.717 11.786 19.216 1.00 25.22 C ATOM 239 CE1 PHE H 29 21.696 9.904 19.414 1.00 24.69 C ATOM 240 CE2 PHE H 29 22.510 12.122 19.822 1.00 24.91 C ATOM 241 CZ PHE H 29 21.500 11.179 19.917 1.00 24.38 C ATOM 242 H PHE H 29 27.291 9.582 16.748 1.00 0.00 H ATOM 243 N SER H 30 25.603 12.717 16.294 1.00 25.64 N ATOM 244 CA SER H 30 25.227 14.106 16.007 1.00 26.05 C ATOM 245 C SER H 30 24.962 14.419 14.525 1.00 25.09 C ATOM 246 O SER H 30 24.398 15.462 14.217 1.00 25.46 O ATOM 247 CB SER H 30 26.298 15.066 16.549 1.00 26.86 C ATOM 248 OG SER H 30 27.526 14.895 15.863 1.00 29.43 O ATOM 249 HG SER H 30 27.843 13.965 15.982 1.00 0.00 H ATOM 250 H SER H 30 26.559 12.522 16.654 1.00 0.00 H ATOM 251 N ASN H 31 25.377 13.533 13.618 1.00 24.99 N ATOM 252 CA ASN H 31 25.125 13.698 12.183 1.00 25.26 C ATOM 253 C ASN H 31 23.814 13.087 11.676 1.00 23.30 C ATOM 254 O ASN H 31 23.462 13.289 10.514 1.00 24.25 O ATOM 255 CB ASN H 31 26.293 13.111 11.372 1.00 26.35 C ATOM 256 CG ASN H 31 27.551 13.957 11.454 1.00 28.08 C ATOM 257 OD1 ASN H 31 27.545 15.067 11.985 1.00 30.43 O ATOM 258 ND2 ASN H 31 28.640 13.433 10.904 1.00 30.36 N ATOM 259 HD22 ASN H 31 28.599 12.491 10.466 1.00 0.00 H ATOM 260 HD21 ASN H 31 29.534 13.965 10.911 1.00 0.00 H ATOM 261 H ASN H 31 25.899 12.694 13.941 1.00 0.00 H ATOM 262 N TYR H 32 23.091 12.363 12.534 1.00 23.21 N ATOM 263 CA TYR H 32 21.871 11.661 12.118 1.00 23.10 C ATOM 264 C TYR H 32 20.645 12.087 12.910 1.00 21.72 C ATOM 265 O TYR H 32 20.734 12.387 14.107 1.00 21.36 O ATOM 266 CB TYR H 32 22.068 10.156 12.261 1.00 23.72 C ATOM 267 CG TYR H 32 23.119 9.618 11.321 1.00 24.96 C ATOM 268 CD1 TYR H 32 22.812 9.329 9.992 1.00 25.50 C ATOM 269 CD2 TYR H 32 24.426 9.429 11.751 1.00 25.23 C ATOM 270 CE1 TYR H 32 23.777 8.838 9.124 1.00 26.68 C ATOM 271 CE2 TYR H 32 25.399 8.945 10.889 1.00 26.33 C ATOM 272 CZ TYR H 32 25.063 8.652 9.582 1.00 26.77 C ATOM 273 OH TYR H 32 26.016 8.171 8.724 1.00 29.62 O ATOM 274 HH TYR H 32 25.610 8.015 7.835 1.00 0.00 H ATOM 275 H TYR H 32 23.401 12.295 13.524 1.00 0.00 H ATOM 276 N TRP H 33 19.495 12.085 12.236 1.00 20.52 N ATOM 277 CA TRP H 33 18.216 12.265 12.911 1.00 20.87 C ATOM 278 C TRP H 33 17.989 11.025 13.762 1.00 20.34 C ATOM 279 O TRP H 33 18.495 9.936 13.442 1.00 20.56 O ATOM 280 CB TRP H 33 17.042 12.381 11.938 1.00 21.04 C ATOM 281 CG TRP H 33 17.118 13.457 10.886 1.00 21.02 C ATOM 282 CD1 TRP H 33 18.171 14.283 10.592 1.00 21.63 C ATOM 283 CD2 TRP H 33 16.099 13.759 9.939 1.00 21.28 C ATOM 284 NE1 TRP H 33 17.853 15.094 9.532 1.00 22.31 N ATOM 285 CE2 TRP H 33 16.590 14.788 9.105 1.00 21.67 C ATOM 286 CE3 TRP H 33 14.807 13.263 9.717 1.00 21.37 C ATOM 287 CZ2 TRP H 33 15.830 15.340 8.071 1.00 21.88 C ATOM 288 CZ3 TRP H 33 14.052 13.809 8.692 1.00 21.77 C ATOM 289 CH2 TRP H 33 14.573 14.832 7.871 1.00 21.62 C ATOM 290 HE1 TRP H 33 18.471 15.822 9.121 1.00 0.00 H ATOM 291 H TRP H 33 19.511 11.952 11.205 1.00 0.00 H ATOM 292 N MET H 34 17.229 11.169 14.837 1.00 20.20 N ATOM 293 CA MET H 34 16.835 10.009 15.634 1.00 20.27 C ATOM 294 C MET H 34 15.325 9.958 15.771 1.00 19.45 C ATOM 295 O MET H 34 14.645 10.979 15.695 1.00 19.70 O ATOM 296 CB MET H 34 17.534 10.019 17.002 1.00 22.18 C ATOM 297 CG MET H 34 19.038 9.743 16.930 1.00 23.79 C ATOM 298 SD MET H 34 19.511 8.132 16.245 1.00 27.54 S ATOM 299 CE MET H 34 18.798 7.028 17.459 1.00 28.06 C ATOM 300 H MET H 34 16.909 12.118 15.117 1.00 0.00 H ATOM 301 N ASN H 35 14.817 8.739 15.938 1.00 18.31 N ATOM 302 CA ASN H 35 13.389 8.475 16.031 1.00 17.95 C ATOM 303 C ASN H 35 13.095 7.609 17.240 1.00 17.67 C ATOM 304 O ASN H 35 13.936 6.823 17.659 1.00 17.28 O ATOM 305 CB ASN H 35 12.881 7.693 14.814 1.00 18.05 C ATOM 306 CG ASN H 35 13.237 8.336 13.497 1.00 17.85 C ATOM 307 OD1 ASN H 35 12.452 9.097 12.933 1.00 18.83 O ATOM 308 ND2 ASN H 35 14.416 8.004 12.982 1.00 18.34 N ATOM 309 HD22 ASN H 35 15.045 7.356 13.498 1.00 0.00 H ATOM 310 HD21 ASN H 35 14.710 8.392 12.063 1.00 0.00 H ATOM 311 H ASN H 35 15.473 7.935 16.005 1.00 0.00 H ATOM 312 N TRP H 36 11.871 7.723 17.748 1.00 17.25 N ATOM 313 CA TRP H 36 11.281 6.705 18.605 1.00 17.68 C ATOM 314 C TRP H 36 10.191 6.000 17.819 1.00 17.35 C ATOM 315 O TRP H 36 9.412 6.646 17.116 1.00 17.56 O ATOM 316 CB TRP H 36 10.699 7.301 19.884 1.00 17.78 C ATOM 317 CG TRP H 36 11.751 7.728 20.848 1.00 17.96 C ATOM 318 CD1 TRP H 36 12.320 8.965 20.937 1.00 18.37 C ATOM 319 CD2 TRP H 36 12.381 6.924 21.851 1.00 17.93 C ATOM 320 NE1 TRP H 36 13.254 8.984 21.936 1.00 18.48 N ATOM 321 CE2 TRP H 36 13.312 7.747 22.520 1.00 18.36 C ATOM 322 CE3 TRP H 36 12.243 5.590 22.263 1.00 17.98 C ATOM 323 CZ2 TRP H 36 14.108 7.276 23.575 1.00 18.43 C ATOM 324 CZ3 TRP H 36 13.030 5.124 23.312 1.00 18.33 C ATOM 325 CH2 TRP H 36 13.945 5.968 23.960 1.00 18.36 C ATOM 326 HE1 TRP H 36 13.829 9.807 22.209 1.00 0.00 H ATOM 327 H TRP H 36 11.314 8.572 17.524 1.00 0.00 H ATOM 328 N VAL H 37 10.157 4.674 17.943 1.00 17.07 N ATOM 329 CA VAL H 37 9.119 3.830 17.344 1.00 17.40 C ATOM 330 C VAL H 37 8.673 2.848 18.424 1.00 17.29 C ATOM 331 O VAL H 37 9.505 2.330 19.173 1.00 18.00 O ATOM 332 CB VAL H 37 9.682 3.045 16.135 1.00 17.44 C ATOM 333 CG1 VAL H 37 8.651 2.066 15.564 1.00 17.69 C ATOM 334 CG2 VAL H 37 10.171 4.006 15.054 1.00 17.68 C ATOM 335 H VAL H 37 10.908 4.212 18.495 1.00 0.00 H ATOM 336 N ARG H 38 7.374 2.583 18.508 1.00 17.57 N ATOM 337 CA ARG H 38 6.857 1.669 19.525 1.00 18.69 C ATOM 338 C ARG H 38 6.140 0.471 18.920 1.00 19.45 C ATOM 339 O ARG H 38 5.588 0.554 17.820 1.00 20.87 O ATOM 340 CB ARG H 38 5.948 2.405 20.514 1.00 18.92 C ATOM 341 CG ARG H 38 4.642 2.908 19.933 1.00 19.06 C ATOM 342 CD ARG H 38 3.961 3.868 20.884 1.00 20.33 C ATOM 343 NE ARG H 38 2.704 4.363 20.341 1.00 21.38 N ATOM 344 CZ ARG H 38 1.902 5.227 20.964 1.00 21.82 C ATOM 345 NH1 ARG H 38 2.219 5.711 22.166 1.00 21.34 N ATOM 346 NH2 ARG H 38 0.773 5.610 20.384 1.00 22.90 N ATOM 347 HE ARG H 38 2.412 4.019 19.404 1.00 0.00 H ATOM 348 HH12 ARG H 38 1.583 6.384 22.640 1.00 0.00 H ATOM 349 HH11 ARG H 38 3.102 5.415 22.629 1.00 0.00 H ATOM 350 HH22 ARG H 38 0.144 6.284 20.865 1.00 0.00 H ATOM 351 HH21 ARG H 38 0.517 5.237 19.448 1.00 0.00 H ATOM 352 H ARG H 38 6.715 3.032 17.840 1.00 0.00 H ATOM 353 N GLN H 39 6.176 -0.641 19.646 1.00 19.70 N ATOM 354 CA GLN H 39 5.543 -1.886 19.236 1.00 21.18 C ATOM 355 C GLN H 39 4.495 -2.247 20.288 1.00 23.12 C ATOM 356 O GLN H 39 4.844 -2.471 21.441 1.00 21.80 O ATOM 357 CB GLN H 39 6.589 -2.985 19.132 1.00 21.17 C ATOM 358 CG GLN H 39 6.038 -4.319 18.647 1.00 22.02 C ATOM 359 CD GLN H 39 7.096 -5.386 18.461 1.00 22.54 C ATOM 360 OE1 GLN H 39 6.922 -6.297 17.646 1.00 24.20 O ATOM 361 NE2 GLN H 39 8.184 -5.297 19.214 1.00 22.20 N ATOM 362 HE22 GLN H 39 8.287 -4.511 19.888 1.00 0.00 H ATOM 363 HE21 GLN H 39 8.934 -6.013 19.131 1.00 0.00 H ATOM 364 H GLN H 39 6.683 -0.621 20.554 1.00 0.00 H ATOM 365 N SER H 40 3.223 -2.308 19.891 1.00 27.05 N ATOM 366 CA SER H 40 2.111 -2.503 20.841 1.00 31.03 C ATOM 367 C SER H 40 1.891 -3.998 21.118 1.00 34.94 C ATOM 368 O SER H 40 2.547 -4.834 20.488 1.00 35.90 O ATOM 369 CB SER H 40 0.839 -1.844 20.297 1.00 32.53 C ATOM 370 OG SER H 40 0.504 -2.367 19.032 1.00 35.24 O ATOM 371 HG SER H 40 -0.319 -1.927 18.702 1.00 0.00 H ATOM 372 H SER H 40 3.008 -2.215 18.878 1.00 0.00 H ATOM 373 N PRO H 41 0.993 -4.345 22.077 1.00 38.09 N ATOM 374 CA PRO H 41 0.625 -5.759 22.297 1.00 39.84 C ATOM 375 C PRO H 41 0.045 -6.522 21.092 1.00 41.81 C ATOM 376 O PRO H 41 0.144 -7.750 21.060 1.00 42.12 O ATOM 377 CB PRO H 41 -0.415 -5.694 23.438 1.00 39.86 C ATOM 378 CG PRO H 41 -0.648 -4.243 23.719 1.00 39.70 C ATOM 379 CD PRO H 41 0.561 -3.517 23.218 1.00 38.80 C ATOM 380 N GLU H 42 -0.535 -5.813 20.120 1.00 43.32 N ATOM 381 CA GLU H 42 -0.974 -6.444 18.858 1.00 44.93 C ATOM 382 C GLU H 42 0.150 -6.538 17.799 1.00 45.27 C ATOM 383 O GLU H 42 -0.126 -6.754 16.617 1.00 46.73 O ATOM 384 CB GLU H 42 -2.262 -5.799 18.290 1.00 46.25 C ATOM 385 CG GLU H 42 -2.338 -4.277 18.257 1.00 47.25 C ATOM 386 CD GLU H 42 -3.038 -3.693 19.475 1.00 48.39 C ATOM 387 OE1 GLU H 42 -3.981 -2.895 19.298 1.00 49.55 O ATOM 388 OE2 GLU H 42 -2.651 -4.039 20.613 1.00 50.14 O ATOM 389 H GLU H 42 -0.681 -4.792 20.255 1.00 0.00 H ATOM 390 N LYS H 43 1.405 -6.356 18.234 1.00 45.03 N ATOM 391 CA LYS H 43 2.627 -6.646 17.456 1.00 44.02 C ATOM 392 C LYS H 43 3.001 -5.626 16.361 1.00 40.92 C ATOM 393 O LYS H 43 4.054 -5.773 15.731 1.00 40.10 O ATOM 394 CB LYS H 43 2.599 -8.076 16.879 1.00 46.21 C ATOM 395 CG LYS H 43 2.375 -9.169 17.916 1.00 48.17 C ATOM 396 CD LYS H 43 2.345 -10.541 17.261 1.00 49.33 C ATOM 397 CE LYS H 43 2.146 -11.651 18.280 1.00 50.25 C ATOM 398 NZ LYS H 43 2.100 -12.991 17.629 1.00 50.91 N ATOM 399 HZ1 LYS H 43 1.310 -13.020 16.953 1.00 0.00 H ATOM 400 HZ2 LYS H 43 2.994 -13.162 17.127 1.00 0.00 H ATOM 401 HZ3 LYS H 43 1.963 -13.723 18.355 1.00 0.00 H ATOM 402 H LYS H 43 1.528 -5.981 19.196 1.00 0.00 H ATOM 403 N GLY H 44 2.178 -4.591 16.164 1.00 37.07 N ATOM 404 CA GLY H 44 2.395 -3.601 15.111 1.00 33.95 C ATOM 405 C GLY H 44 3.347 -2.492 15.528 1.00 30.68 C ATOM 406 O GLY H 44 3.318 -2.044 16.679 1.00 31.56 O ATOM 407 H GLY H 44 1.350 -4.486 16.785 1.00 0.00 H ATOM 408 N LEU H 45 4.184 -2.050 14.588 1.00 26.85 N ATOM 409 CA LEU H 45 5.092 -0.918 14.801 1.00 24.63 C ATOM 410 C LEU H 45 4.413 0.394 14.459 1.00 23.47 C ATOM 411 O LEU H 45 3.705 0.491 13.459 1.00 22.95 O ATOM 412 CB LEU H 45 6.345 -1.032 13.932 1.00 24.39 C ATOM 413 CG LEU H 45 7.365 -2.124 14.215 1.00 24.58 C ATOM 414 CD1 LEU H 45 8.481 -2.056 13.181 1.00 24.08 C ATOM 415 CD2 LEU H 45 7.924 -1.998 15.625 1.00 24.31 C ATOM 416 H LEU H 45 4.193 -2.529 13.665 1.00 0.00 H ATOM 417 N GLU H 46 4.660 1.407 15.284 1.00 21.80 N ATOM 418 CA GLU H 46 4.121 2.739 15.092 1.00 22.01 C ATOM 419 C GLU H 46 5.217 3.775 15.325 1.00 20.68 C ATOM 420 O GLU H 46 5.795 3.845 16.419 1.00 19.21 O ATOM 421 CB GLU H 46 2.979 2.955 16.072 1.00 23.85 C ATOM 422 CG GLU H 46 2.292 4.299 15.958 1.00 25.57 C ATOM 423 CD GLU H 46 1.180 4.470 16.969 1.00 27.13 C ATOM 424 OE1 GLU H 46 1.102 3.673 17.932 1.00 28.14 O ATOM 425 OE2 GLU H 46 0.385 5.415 16.796 1.00 30.42 O ATOM 426 H GLU H 46 5.270 1.235 16.108 1.00 0.00 H ATOM 427 N TRP H 47 5.501 4.579 14.306 1.00 19.78 N ATOM 428 CA TRP H 47 6.459 5.678 14.440 1.00 19.57 C ATOM 429 C TRP H 47 5.866 6.742 15.366 1.00 20.04 C ATOM 430 O TRP H 47 4.696 7.113 15.224 1.00 20.05 O ATOM 431 CB TRP H 47 6.803 6.258 13.064 1.00 19.16 C ATOM 432 CG TRP H 47 7.668 7.484 13.084 1.00 18.82 C ATOM 433 CD1 TRP H 47 9.027 7.540 13.146 1.00 19.30 C ATOM 434 CD2 TRP H 47 7.213 8.834 13.019 1.00 19.12 C ATOM 435 NE1 TRP H 47 9.450 8.848 13.125 1.00 19.07 N ATOM 436 CE2 TRP H 47 8.352 9.664 13.045 1.00 19.64 C ATOM 437 CE3 TRP H 47 5.946 9.425 12.942 1.00 19.81 C ATOM 438 CZ2 TRP H 47 8.262 11.058 13.004 1.00 20.31 C ATOM 439 CZ3 TRP H 47 5.857 10.808 12.890 1.00 20.15 C ATOM 440 CH2 TRP H 47 7.009 11.609 12.924 1.00 20.50 C ATOM 441 HE1 TRP H 47 10.440 9.166 13.163 1.00 0.00 H ATOM 442 H TRP H 47 5.031 4.424 13.391 1.00 0.00 H ATOM 443 N VAL H 48 6.679 7.198 16.322 1.00 19.60 N ATOM 444 CA VAL H 48 6.240 8.092 17.404 1.00 20.37 C ATOM 445 C VAL H 48 6.727 9.532 17.181 1.00 19.78 C ATOM 446 O VAL H 48 5.942 10.478 17.261 1.00 19.89 O ATOM 447 CB VAL H 48 6.756 7.568 18.782 1.00 21.01 C ATOM 448 CG1 VAL H 48 6.480 8.546 19.915 1.00 21.62 C ATOM 449 CG2 VAL H 48 6.169 6.194 19.094 1.00 21.11 C ATOM 450 H VAL H 48 7.677 6.905 16.300 1.00 0.00 H ATOM 451 N ALA H 49 8.028 9.701 16.948 1.00 18.88 N ATOM 452 CA ALA H 49 8.622 11.036 16.883 1.00 19.65 C ATOM 453 C ALA H 49 9.980 10.996 16.208 1.00 19.93 C ATOM 454 O ALA H 49 10.637 9.955 16.203 1.00 18.89 O ATOM 455 CB ALA H 49 8.760 11.611 18.288 1.00 19.88 C ATOM 456 H ALA H 49 8.633 8.867 16.810 1.00 0.00 H ATOM 457 N GLU H 50 10.389 12.132 15.649 1.00 20.40 N ATOM 458 CA GLU H 50 11.742 12.307 15.114 1.00 20.70 C ATOM 459 C GLU H 50 12.336 13.590 15.653 1.00 20.84 C ATOM 460 O GLU H 50 11.605 14.522 15.990 1.00 21.10 O ATOM 461 CB GLU H 50 11.741 12.357 13.578 1.00 22.00 C ATOM 462 CG GLU H 50 11.107 13.622 13.016 1.00 22.94 C ATOM 463 CD GLU H 50 11.255 13.794 11.516 1.00 23.29 C ATOM 464 OE1 GLU H 50 11.335 12.801 10.755 1.00 23.32 O ATOM 465 OE2 GLU H 50 11.258 14.962 11.091 1.00 23.44 O ATOM 466 H GLU H 50 9.722 12.928 15.589 1.00 0.00 H ATOM 467 N ILE H 51 13.661 13.630 15.715 1.00 20.24 N ATOM 468 CA ILE H 51 14.389 14.857 16.007 1.00 21.16 C ATOM 469 C ILE H 51 15.545 14.985 15.021 1.00 21.65 C ATOM 470 O ILE H 51 16.245 14.012 14.735 1.00 21.03 O ATOM 471 CB ILE H 51 14.857 14.925 17.483 1.00 21.05 C ATOM 472 CG1 ILE H 51 15.516 16.273 17.781 1.00 21.08 C ATOM 473 CG2 ILE H 51 15.787 13.778 17.863 1.00 20.52 C ATOM 474 CD1 ILE H 51 15.519 16.631 19.248 1.00 21.58 C ATOM 475 H ILE H 51 14.198 12.755 15.549 1.00 0.00 H ATOM 476 N ARG H 52 15.739 16.195 14.511 1.00 23.22 N ATOM 477 CA ARG H 52 16.687 16.447 13.432 1.00 24.76 C ATOM 478 C ARG H 52 17.992 16.953 14.072 1.00 24.33 C ATOM 479 O ARG H 52 18.238 16.708 15.258 1.00 22.52 O ATOM 480 CB ARG H 52 16.081 17.427 12.412 1.00 26.50 C ATOM 481 CG ARG H 52 14.572 17.269 12.195 1.00 29.22 C ATOM 482 CD ARG H 52 14.143 16.568 10.934 1.00 31.37 C ATOM 483 NE ARG H 52 13.927 17.494 9.827 1.00 32.78 N ATOM 484 CZ ARG H 52 12.964 17.416 8.896 1.00 33.24 C ATOM 485 NH1 ARG H 52 12.040 16.453 8.890 1.00 33.49 N ATOM 486 NH2 ARG H 52 12.923 18.337 7.940 1.00 32.92 N ATOM 487 HE ARG H 52 14.586 18.295 9.752 1.00 0.00 H ATOM 488 HH12 ARG H 52 11.313 16.435 8.147 1.00 0.00 H ATOM 489 HH11 ARG H 52 12.047 15.721 9.629 1.00 0.00 H ATOM 490 HH22 ARG H 52 12.185 18.295 7.209 1.00 0.00 H ATOM 491 HH21 ARG H 52 13.629 19.100 7.923 1.00 0.00 H ATOM 492 H ARG H 52 15.194 16.993 14.895 1.00 0.00 H ATOM 493 N LEU H 53 18.828 17.644 13.302 1.00 25.07 N ATOM 494 CA LEU H 53 20.178 17.981 13.746 1.00 25.61 C ATOM 495 C LEU H 53 20.232 19.350 14.407 1.00 26.07 C ATOM 496 O LEU H 53 19.276 20.127 14.339 1.00 25.97 O ATOM 497 CB LEU H 53 21.138 17.967 12.556 1.00 25.71 C ATOM 498 CG LEU H 53 21.073 16.755 11.621 1.00 26.12 C ATOM 499 CD1 LEU H 53 22.085 16.896 10.488 1.00 26.57 C ATOM 500 CD2 LEU H 53 21.294 15.457 12.380 1.00 25.98 C ATOM 501 H LEU H 53 18.512 17.952 12.360 1.00 0.00 H ATOM 502 N LYS H 54 21.374 19.636 15.024 1.00 28.08 N ATOM 503 CA LYS H 54 21.691 20.985 15.513 1.00 30.45 C ATOM 504 C LYS H 54 21.520 22.033 14.403 1.00 30.81 C ATOM 505 O LYS H 54 20.940 23.093 14.633 1.00 31.44 O ATOM 506 CB LYS H 54 23.120 21.018 16.065 1.00 31.63 C ATOM 507 CG LYS H 54 23.517 22.321 16.745 1.00 33.44 C ATOM 508 CD LYS H 54 24.945 22.242 17.257 1.00 35.27 C ATOM 509 CE LYS H 54 25.437 23.590 17.765 1.00 36.67 C ATOM 510 NZ LYS H 54 26.916 23.601 17.925 1.00 38.63 N ATOM 511 HZ1 LYS H 54 27.195 22.868 18.608 1.00 0.00 H ATOM 512 HZ2 LYS H 54 27.364 23.410 17.006 1.00 0.00 H ATOM 513 HZ3 LYS H 54 27.219 24.533 18.272 1.00 0.00 H ATOM 514 H LYS H 54 22.070 18.876 15.166 1.00 0.00 H ATOM 515 N SER H 55 21.996 21.711 13.199 1.00 31.56 N ATOM 516 CA SER H 55 21.872 22.597 12.031 1.00 32.05 C ATOM 517 C SER H 55 20.424 22.842 11.568 1.00 32.17 C ATOM 518 O SER H 55 20.162 23.810 10.857 1.00 32.84 O ATOM 519 CB SER H 55 22.711 22.059 10.865 1.00 33.04 C ATOM 520 OG SER H 55 22.377 20.715 10.566 1.00 33.40 O ATOM 521 HG SER H 55 22.544 20.150 11.361 1.00 0.00 H ATOM 522 H SER H 55 22.475 20.795 13.081 1.00 0.00 H ATOM 523 N ASN H 56 19.496 21.973 11.974 1.00 31.19 N ATOM 524 CA ASN H 56 18.060 22.174 11.751 1.00 31.42 C ATOM 525 C ASN H 56 17.347 22.738 12.988 1.00 31.09 C ATOM 526 O ASN H 56 16.121 22.624 13.102 1.00 29.80 O ATOM 527 CB ASN H 56 17.410 20.843 11.352 1.00 31.40 C ATOM 528 CG ASN H 56 18.190 20.116 10.276 1.00 32.16 C ATOM 529 OD1 ASN H 56 18.660 18.997 10.483 1.00 31.36 O ATOM 530 ND2 ASN H 56 18.360 20.766 9.130 1.00 32.44 N ATOM 531 HD22 ASN H 56 17.944 21.710 9.001 1.00 0.00 H ATOM 532 HD21 ASN H 56 18.909 20.331 8.362 1.00 0.00 H ATOM 533 H ASN H 56 19.805 21.114 12.471 1.00 0.00 H ATOM 534 N ASN H 57 18.107 23.346 13.906 1.00 31.89 N ATOM 535 CA ASN H 57 17.591 23.843 15.183 1.00 32.21 C ATOM 536 C ASN H 57 16.843 22.747 15.961 1.00 29.92 C ATOM 537 O ASN H 57 15.839 23.014 16.621 1.00 29.53 O ATOM 538 CB ASN H 57 16.703 25.080 14.941 1.00 34.14 C ATOM 539 CG ASN H 57 16.379 25.851 16.215 1.00 36.66 C ATOM 540 OD1 ASN H 57 15.323 26.479 16.309 1.00 40.46 O ATOM 541 ND2 ASN H 57 17.274 25.806 17.200 1.00 37.99 N ATOM 542 HD22 ASN H 57 18.153 25.264 17.079 1.00 0.00 H ATOM 543 HD21 ASN H 57 17.094 26.313 18.090 1.00 0.00 H ATOM 544 H ASN H 57 19.119 23.472 13.702 1.00 0.00 H ATOM 545 N TYR H 58 17.346 21.513 15.865 1.00 29.07 N ATOM 546 CA TYR H 58 16.741 20.348 16.518 1.00 27.55 C ATOM 547 C TYR H 58 15.232 20.219 16.260 1.00 26.11 C ATOM 548 O TYR H 58 14.466 19.882 17.167 1.00 25.89 O ATOM 549 CB TYR H 58 17.035 20.381 18.025 1.00 27.68 C ATOM 550 CG TYR H 58 18.499 20.291 18.375 1.00 28.43 C ATOM 551 CD1 TYR H 58 19.248 19.175 18.016 1.00 29.34 C ATOM 552 CD2 TYR H 58 19.138 21.311 19.085 1.00 29.17 C ATOM 553 CE1 TYR H 58 20.592 19.074 18.340 1.00 29.61 C ATOM 554 CE2 TYR H 58 20.484 21.220 19.416 1.00 29.98 C ATOM 555 CZ TYR H 58 21.207 20.102 19.043 1.00 30.02 C ATOM 556 OH TYR H 58 22.541 20.003 19.365 1.00 31.75 O ATOM 557 HH TYR H 58 22.899 19.145 19.024 1.00 0.00 H ATOM 558 H TYR H 58 18.208 21.372 15.300 1.00 0.00 H ATOM 559 N ALA H 59 14.818 20.469 15.016 1.00 25.37 N ATOM 560 CA ALA H 59 13.403 20.398 14.634 1.00 25.28 C ATOM 561 C ALA H 59 12.816 19.031 14.986 1.00 25.09 C ATOM 562 O ALA H 59 13.498 18.012 14.876 1.00 24.52 O ATOM 563 CB ALA H 59 13.216 20.688 13.148 1.00 25.54 C ATOM 564 H ALA H 59 15.522 20.723 14.293 1.00 0.00 H ATOM 565 N THR H 60 11.561 19.032 15.423 1.00 25.37 N ATOM 566 CA THR H 60 10.863 17.815 15.820 1.00 25.83 C ATOM 567 C THR H 60 9.542 17.653 15.073 1.00 26.34 C ATOM 568 O THR H 60 8.915 18.636 14.668 1.00 27.40 O ATOM 569 CB THR H 60 10.561 17.822 17.329 1.00 26.12 C ATOM 570 OG1 THR H 60 9.749 18.960 17.646 1.00 26.52 O ATOM 571 CG2 THR H 60 11.845 17.860 18.141 1.00 26.21 C ATOM 572 HG1 THR H 60 9.554 18.965 18.617 1.00 0.00 H ATOM 573 H THR H 60 11.056 19.939 15.484 1.00 0.00 H ATOM 574 N HIS H 61 9.141 16.399 14.881 1.00 26.02 N ATOM 575 CA HIS H 61 7.814 16.055 14.370 1.00 26.50 C ATOM 576 C HIS H 61 7.299 14.863 15.160 1.00 24.91 C ATOM 577 O HIS H 61 8.084 14.033 15.631 1.00 23.61 O ATOM 578 CB HIS H 61 7.853 15.684 12.885 1.00 27.95 C ATOM 579 CG HIS H 61 8.202 16.817 11.972 1.00 29.81 C ATOM 580 ND1 HIS H 61 9.457 16.964 11.420 1.00 31.73 N ATOM 581 CD2 HIS H 61 7.455 17.836 11.484 1.00 31.25 C ATOM 582 CE1 HIS H 61 9.471 18.034 10.643 1.00 31.86 C ATOM 583 NE2 HIS H 61 8.270 18.582 10.666 1.00 31.94 N ATOM 584 H HIS H 61 9.802 15.627 15.105 1.00 0.00 H ATOM 585 N TYR H 62 5.978 14.778 15.282 1.00 24.49 N ATOM 586 CA TYR H 62 5.321 13.744 16.075 1.00 24.39 C ATOM 587 C TYR H 62 4.192 13.095 15.304 1.00 25.18 C ATOM 588 O TYR H 62 3.592 13.712 14.420 1.00 26.24 O ATOM 589 CB TYR H 62 4.755 14.347 17.363 1.00 23.71 C ATOM 590 CG TYR H 62 5.807 14.970 18.232 1.00 23.50 C ATOM 591 CD1 TYR H 62 6.180 16.300 18.061 1.00 23.10 C ATOM 592 CD2 TYR H 62 6.453 14.227 19.218 1.00 22.77 C ATOM 593 CE1 TYR H 62 7.161 16.878 18.847 1.00 23.06 C ATOM 594 CE2 TYR H 62 7.438 14.795 20.010 1.00 22.12 C ATOM 595 CZ TYR H 62 7.787 16.120 19.824 1.00 22.64 C ATOM 596 OH TYR H 62 8.762 16.677 20.611 1.00 23.14 O ATOM 597 HH TYR H 62 8.892 17.624 20.353 1.00 0.00 H ATOM 598 H TYR H 62 5.387 15.479 14.791 1.00 0.00 H ATOM 599 N ALA H 63 3.902 11.844 15.646 1.00 25.57 N ATOM 600 CA ALA H 63 2.679 11.197 15.187 1.00 26.02 C ATOM 601 C ALA H 63 1.483 11.884 15.838 1.00 27.53 C ATOM 602 O ALA H 63 1.572 12.358 16.970 1.00 25.92 O ATOM 603 CB ALA H 63 2.699 9.715 15.527 1.00 26.68 C ATOM 604 H ALA H 63 4.561 11.316 16.253 1.00 0.00 H ATOM 605 N GLU H 64 0.361 11.937 15.126 1.00 29.36 N ATOM 606 CA GLU H 64 -0.835 12.598 15.663 1.00 32.11 C ATOM 607 C GLU H 64 -1.339 11.918 16.951 1.00 31.53 C ATOM 608 O GLU H 64 -1.940 12.574 17.801 1.00 34.23 O ATOM 609 CB GLU H 64 -1.950 12.670 14.608 1.00 34.34 C ATOM 610 CG GLU H 64 -3.024 13.724 14.880 1.00 36.74 C ATOM 611 CD GLU H 64 -2.544 15.165 14.758 1.00 38.45 C ATOM 612 OE1 GLU H 64 -1.495 15.417 14.126 1.00 40.45 O ATOM 613 OE2 GLU H 64 -3.233 16.058 15.298 1.00 41.00 O ATOM 614 H GLU H 64 0.330 11.506 14.180 1.00 0.00 H ATOM 615 N SER H 65 -1.064 10.620 17.098 1.00 31.15 N ATOM 616 CA SER H 65 -1.407 9.873 18.312 1.00 30.05 C ATOM 617 C SER H 65 -0.732 10.361 19.604 1.00 29.86 C ATOM 618 O SER H 65 -1.221 10.053 20.687 1.00 29.83 O ATOM 619 CB SER H 65 -1.098 8.383 18.121 1.00 29.69 C ATOM 620 OG SER H 65 0.274 8.171 17.823 1.00 29.85 O ATOM 621 HG SER H 65 0.439 7.202 17.706 1.00 0.00 H ATOM 622 H SER H 65 -0.588 10.119 16.321 1.00 0.00 H ATOM 623 N VAL H 66 0.386 11.086 19.497 1.00 29.04 N ATOM 624 CA VAL H 66 1.114 11.591 20.678 1.00 28.50 C ATOM 625 C VAL H 66 1.352 13.103 20.721 1.00 29.21 C ATOM 626 O VAL H 66 1.925 13.598 21.696 1.00 29.00 O ATOM 627 CB VAL H 66 2.476 10.865 20.852 1.00 27.42 C ATOM 628 CG1 VAL H 66 2.271 9.357 20.869 1.00 26.90 C ATOM 629 CG2 VAL H 66 3.483 11.266 19.774 1.00 27.08 C ATOM 630 H VAL H 66 0.756 11.302 18.549 1.00 0.00 H ATOM 631 N LYS H 67 0.909 13.831 19.693 1.00 31.06 N ATOM 632 CA LYS H 67 1.184 15.267 19.583 1.00 33.50 C ATOM 633 C LYS H 67 0.593 16.027 20.771 1.00 32.99 C ATOM 634 O LYS H 67 -0.566 15.814 21.127 1.00 33.26 O ATOM 635 CB LYS H 67 0.628 15.827 18.268 1.00 35.62 C ATOM 636 CG LYS H 67 0.976 17.289 18.029 1.00 37.78 C ATOM 637 CD LYS H 67 0.810 17.693 16.573 1.00 38.59 C ATOM 638 CE LYS H 67 1.075 19.182 16.395 1.00 40.26 C ATOM 639 NZ LYS H 67 1.162 19.581 14.962 1.00 41.26 N ATOM 640 HZ1 LYS H 67 1.938 19.061 14.505 1.00 0.00 H ATOM 641 HZ2 LYS H 67 0.265 19.356 14.486 1.00 0.00 H ATOM 642 HZ3 LYS H 67 1.343 20.603 14.898 1.00 0.00 H ATOM 643 H LYS H 67 0.352 13.366 18.948 1.00 0.00 H ATOM 644 N GLY H 68 1.414 16.873 21.394 1.00 32.22 N ATOM 645 CA GLY H 68 1.021 17.641 22.580 1.00 32.20 C ATOM 646 C GLY H 68 1.237 16.954 23.923 1.00 32.04 C ATOM 647 O GLY H 68 1.155 17.604 24.967 1.00 33.73 O ATOM 648 H GLY H 68 2.378 16.994 21.022 1.00 0.00 H ATOM 649 N ARG H 69 1.497 15.647 23.903 1.00 30.09 N ATOM 650 CA ARG H 69 1.723 14.859 25.113 1.00 28.47 C ATOM 651 C ARG H 69 3.165 14.370 25.253 1.00 26.32 C ATOM 652 O ARG H 69 3.668 14.242 26.369 1.00 25.71 O ATOM 653 CB ARG H 69 0.772 13.670 25.108 1.00 29.51 C ATOM 654 CG ARG H 69 -0.694 14.082 25.165 1.00 30.46 C ATOM 655 CD ARG H 69 -1.622 12.949 24.773 1.00 32.55 C ATOM 656 NE ARG H 69 -1.335 11.768 25.569 1.00 34.24 N ATOM 657 CZ ARG H 69 -0.886 10.589 25.125 1.00 32.87 C ATOM 658 NH1 ARG H 69 -0.681 10.321 23.834 1.00 34.30 N ATOM 659 NH2 ARG H 69 -0.658 9.640 26.014 1.00 31.67 N ATOM 660 HE ARG H 69 -1.496 11.848 26.593 1.00 0.00 H ATOM 661 HH12 ARG H 69 -0.330 9.385 23.547 1.00 0.00 H ATOM 662 HH11 ARG H 69 -0.872 11.048 23.115 1.00 0.00 H ATOM 663 HH22 ARG H 69 -0.308 8.711 25.705 1.00 0.00 H ATOM 664 HH21 ARG H 69 -0.828 9.822 27.024 1.00 0.00 H ATOM 665 H ARG H 69 1.541 15.165 22.983 1.00 0.00 H ATOM 666 N PHE H 70 3.815 14.065 24.130 1.00 24.15 N ATOM 667 CA PHE H 70 5.190 13.563 24.137 1.00 23.73 C ATOM 668 C PHE H 70 6.147 14.645 23.646 1.00 23.01 C ATOM 669 O PHE H 70 5.784 15.471 22.804 1.00 24.34 O ATOM 670 CB PHE H 70 5.333 12.331 23.228 1.00 23.70 C ATOM 671 CG PHE H 70 4.713 11.051 23.761 1.00 23.95 C ATOM 672 CD1 PHE H 70 3.775 11.024 24.808 1.00 23.68 C ATOM 673 CD2 PHE H 70 5.045 9.840 23.151 1.00 23.49 C ATOM 674 CE1 PHE H 70 3.221 9.827 25.239 1.00 23.80 C ATOM 675 CE2 PHE H 70 4.488 8.645 23.578 1.00 24.25 C ATOM 676 CZ PHE H 70 3.580 8.637 24.621 1.00 24.10 C ATOM 677 H PHE H 70 3.329 14.188 23.219 1.00 0.00 H ATOM 678 N THR H 71 7.375 14.615 24.159 1.00 22.77 N ATOM 679 CA THR H 71 8.442 15.511 23.717 1.00 22.88 C ATOM 680 C THR H 71 9.730 14.724 23.491 1.00 21.88 C ATOM 681 O THR H 71 10.230 14.055 24.399 1.00 21.13 O ATOM 682 CB THR H 71 8.695 16.637 24.737 1.00 24.40 C ATOM 683 OG1 THR H 71 7.476 17.354 24.958 1.00 25.92 O ATOM 684 CG2 THR H 71 9.771 17.599 24.243 1.00 24.34 C ATOM 685 HG1 THR H 71 6.789 16.734 25.310 1.00 0.00 H ATOM 686 H THR H 71 7.584 13.924 24.907 1.00 0.00 H ATOM 687 N ILE H 72 10.254 14.818 22.271 1.00 21.21 N ATOM 688 CA ILE H 72 11.543 14.227 21.922 1.00 20.66 C ATOM 689 C ILE H 72 12.626 15.298 22.062 1.00 20.84 C ATOM 690 O ILE H 72 12.406 16.461 21.723 1.00 21.41 O ATOM 691 CB ILE H 72 11.536 13.584 20.503 1.00 20.22 C ATOM 692 CG1 ILE H 72 12.818 12.776 20.268 1.00 20.09 C ATOM 693 CG2 ILE H 72 11.347 14.616 19.396 1.00 20.48 C ATOM 694 CD1 ILE H 72 12.805 11.960 18.990 1.00 20.15 C ATOM 695 H ILE H 72 9.725 15.332 21.538 1.00 0.00 H ATOM 696 N SER H 73 13.777 14.896 22.591 1.00 20.81 N ATOM 697 CA SER H 73 14.943 15.767 22.737 1.00 21.34 C ATOM 698 C SER H 73 16.216 14.944 22.602 1.00 21.15 C ATOM 699 O SER H 73 16.179 13.710 22.616 1.00 21.16 O ATOM 700 CB SER H 73 14.923 16.466 24.103 1.00 21.75 C ATOM 701 OG SER H 73 14.983 15.520 25.153 1.00 22.24 O ATOM 702 HG SER H 73 14.203 14.913 25.093 1.00 0.00 H ATOM 703 H SER H 73 13.853 13.912 22.918 1.00 0.00 H ATOM 704 N ARG H 74 17.347 15.625 22.469 1.00 21.69 N ATOM 705 CA ARG H 74 18.633 14.949 22.351 1.00 22.55 C ATOM 706 C ARG H 74 19.745 15.762 22.986 1.00 23.88 C ATOM 707 O ARG H 74 19.652 16.989 23.086 1.00 24.60 O ATOM 708 CB ARG H 74 18.972 14.655 20.880 1.00 22.39 C ATOM 709 CG ARG H 74 19.210 15.890 20.017 1.00 22.54 C ATOM 710 CD ARG H 74 19.234 15.562 18.534 1.00 22.58 C ATOM 711 NE ARG H 74 20.391 14.759 18.141 1.00 22.25 N ATOM 712 CZ ARG H 74 20.504 14.091 16.988 1.00 22.08 C ATOM 713 NH1 ARG H 74 19.528 14.106 16.076 1.00 22.53 N ATOM 714 NH2 ARG H 74 21.598 13.374 16.750 1.00 21.94 N ATOM 715 HE ARG H 74 21.186 14.703 18.809 1.00 0.00 H ATOM 716 HH12 ARG H 74 19.639 13.578 15.187 1.00 0.00 H ATOM 717 HH11 ARG H 74 18.657 14.645 16.255 1.00 0.00 H ATOM 718 HH22 ARG H 74 21.693 12.852 15.856 1.00 0.00 H ATOM 719 HH21 ARG H 74 22.359 13.335 17.458 1.00 0.00 H ATOM 720 H ARG H 74 17.315 16.664 22.448 1.00 0.00 H ATOM 721 N ASP H 75 20.784 15.055 23.406 1.00 24.56 N ATOM 722 CA ASP H 75 21.994 15.650 23.945 1.00 25.39 C ATOM 723 C ASP H 75 23.159 15.030 23.181 1.00 25.60 C ATOM 724 O ASP H 75 23.594 13.920 23.494 1.00 25.61 O ATOM 725 CB ASP H 75 22.081 15.378 25.451 1.00 26.14 C ATOM 726 CG ASP H 75 23.318 15.985 26.101 1.00 26.35 C ATOM 727 OD1 ASP H 75 24.211 16.479 25.379 1.00 26.97 O ATOM 728 OD2 ASP H 75 23.388 15.952 27.348 1.00 28.21 O ATOM 729 H ASP H 75 20.730 14.018 23.346 1.00 0.00 H ATOM 730 N ASP H 76 23.654 15.761 22.182 1.00 26.83 N ATOM 731 CA ASP H 76 24.753 15.285 21.339 1.00 27.85 C ATOM 732 C ASP H 76 26.055 15.049 22.127 1.00 29.20 C ATOM 733 O ASP H 76 26.808 14.141 21.787 1.00 29.54 O ATOM 734 CB ASP H 76 24.993 16.238 20.153 1.00 28.44 C ATOM 735 CG ASP H 76 23.842 16.232 19.130 1.00 28.89 C ATOM 736 OD1 ASP H 76 23.117 15.217 19.020 1.00 29.98 O ATOM 737 OD2 ASP H 76 23.670 17.245 18.418 1.00 30.10 O ATOM 738 H ASP H 76 23.247 16.699 21.995 1.00 0.00 H ATOM 739 N SER H 77 26.296 15.823 23.190 1.00 29.80 N ATOM 740 CA SER H 77 27.483 15.624 24.045 1.00 30.34 C ATOM 741 C SER H 77 27.440 14.320 24.861 1.00 30.79 C ATOM 742 O SER H 77 28.489 13.811 25.264 1.00 31.79 O ATOM 743 CB SER H 77 27.703 16.829 24.977 1.00 30.76 C ATOM 744 OG SER H 77 26.798 16.834 26.070 1.00 32.16 O ATOM 745 HG SER H 77 26.976 17.623 26.640 1.00 0.00 H ATOM 746 H SER H 77 25.629 16.587 23.421 1.00 0.00 H ATOM 747 N LYS H 78 26.237 13.794 25.109 1.00 30.42 N ATOM 748 CA LYS H 78 26.054 12.483 25.754 1.00 29.76 C ATOM 749 C LYS H 78 25.652 11.369 24.764 1.00 27.88 C ATOM 750 O LYS H 78 25.415 10.233 25.183 1.00 27.59 O ATOM 751 CB LYS H 78 25.004 12.582 26.867 1.00 31.40 C ATOM 752 CG LYS H 78 25.463 13.351 28.093 1.00 32.71 C ATOM 753 CD LYS H 78 24.427 13.263 29.200 1.00 33.87 C ATOM 754 CE LYS H 78 24.882 13.987 30.457 1.00 35.20 C ATOM 755 NZ LYS H 78 23.749 14.200 31.399 1.00 36.20 N ATOM 756 HZ1 LYS H 78 23.016 14.773 30.934 1.00 0.00 H ATOM 757 HZ2 LYS H 78 23.350 13.280 31.673 1.00 0.00 H ATOM 758 HZ3 LYS H 78 24.093 14.696 32.246 1.00 0.00 H ATOM 759 H LYS H 78 25.392 14.335 24.834 1.00 0.00 H ATOM 760 N SER H 79 25.592 11.691 23.471 1.00 27.32 N ATOM 761 CA SER H 79 25.145 10.757 22.424 1.00 26.44 C ATOM 762 C SER H 79 23.814 10.084 22.774 1.00 25.38 C ATOM 763 O SER H 79 23.655 8.870 22.621 1.00 25.29 O ATOM 764 CB SER H 79 26.232 9.714 22.135 1.00 28.01 C ATOM 765 OG SER H 79 27.405 10.350 21.660 1.00 29.44 O ATOM 766 HG SER H 79 27.198 10.843 20.827 1.00 0.00 H ATOM 767 H SER H 79 25.875 12.651 23.188 1.00 0.00 H ATOM 768 N SER H 80 22.867 10.894 23.241 1.00 23.67 N ATOM 769 CA SER H 80 21.622 10.389 23.808 1.00 23.14 C ATOM 770 C SER H 80 20.383 11.079 23.249 1.00 22.21 C ATOM 771 O SER H 80 20.406 12.266 22.927 1.00 21.52 O ATOM 772 CB SER H 80 21.646 10.536 25.329 1.00 23.66 C ATOM 773 OG SER H 80 22.629 9.695 25.901 1.00 24.30 O ATOM 774 HG SER H 80 23.519 9.939 25.543 1.00 0.00 H ATOM 775 H SER H 80 23.020 11.922 23.200 1.00 0.00 H ATOM 776 N VAL H 81 19.309 10.301 23.132 1.00 21.05 N ATOM 777 CA VAL H 81 17.997 10.809 22.713 1.00 21.19 C ATOM 778 C VAL H 81 16.999 10.442 23.805 1.00 20.58 C ATOM 779 O VAL H 81 17.169 9.436 24.502 1.00 21.08 O ATOM 780 CB VAL H 81 17.604 10.297 21.295 1.00 22.09 C ATOM 781 CG1 VAL H 81 17.499 8.783 21.227 1.00 23.29 C ATOM 782 CG2 VAL H 81 16.323 10.949 20.795 1.00 21.60 C ATOM 783 H VAL H 81 19.404 9.288 23.347 1.00 0.00 H ATOM 784 N TYR H 82 15.986 11.287 23.985 1.00 20.20 N ATOM 785 CA TYR H 82 15.038 11.140 25.095 1.00 20.15 C ATOM 786 C TYR H 82 13.614 11.262 24.604 1.00 19.83 C ATOM 787 O TYR H 82 13.366 11.904 23.587 1.00 19.89 O ATOM 788 CB TYR H 82 15.284 12.221 26.150 1.00 20.76 C ATOM 789 CG TYR H 82 16.706 12.277 26.657 1.00 21.53 C ATOM 790 CD1 TYR H 82 17.133 11.437 27.680 1.00 22.76 C ATOM 791 CD2 TYR H 82 17.629 13.166 26.102 1.00 21.84 C ATOM 792 CE1 TYR H 82 18.439 11.488 28.152 1.00 22.97 C ATOM 793 CE2 TYR H 82 18.941 13.224 26.563 1.00 22.65 C ATOM 794 CZ TYR H 82 19.342 12.382 27.583 1.00 23.00 C ATOM 795 OH TYR H 82 20.647 12.437 28.041 1.00 24.62 O ATOM 796 HH TYR H 82 20.769 11.775 28.767 1.00 0.00 H ATOM 797 H TYR H 82 15.863 12.076 23.318 1.00 0.00 H ATOM 798 N LEU H 83 12.685 10.645 25.340 1.00 19.43 N ATOM 799 CA LEU H 83 11.256 10.808 25.102 1.00 19.62 C ATOM 800 C LEU H 83 10.540 11.047 26.432 1.00 20.37 C ATOM 801 O LEU H 83 10.438 10.143 27.261 1.00 20.01 O ATOM 802 CB LEU H 83 10.679 9.579 24.390 1.00 19.39 C ATOM 803 CG LEU H 83 9.252 9.723 23.848 1.00 19.20 C ATOM 804 CD1 LEU H 83 9.180 10.719 22.694 1.00 19.77 C ATOM 805 CD2 LEU H 83 8.736 8.351 23.433 1.00 19.37 C ATOM 806 H LEU H 83 12.994 10.023 26.114 1.00 0.00 H ATOM 807 N GLN H 84 10.063 12.277 26.617 1.00 21.84 N ATOM 808 CA GLN H 84 9.236 12.641 27.770 1.00 22.74 C ATOM 809 C GLN H 84 7.796 12.354 27.392 1.00 22.70 C ATOM 810 O GLN H 84 7.316 12.864 26.385 1.00 23.27 O ATOM 811 CB GLN H 84 9.415 14.128 28.107 1.00 23.62 C ATOM 812 CG GLN H 84 8.552 14.641 29.261 1.00 24.83 C ATOM 813 CD GLN H 84 8.857 13.958 30.580 1.00 24.96 C ATOM 814 OE1 GLN H 84 10.010 13.900 31.004 1.00 27.05 O ATOM 815 NE2 GLN H 84 7.825 13.435 31.235 1.00 26.66 N ATOM 816 HE22 GLN H 84 6.866 13.508 30.838 1.00 0.00 H ATOM 817 HE21 GLN H 84 7.976 12.953 32.144 1.00 0.00 H ATOM 818 H GLN H 84 10.287 13.009 25.913 1.00 0.00 H ATOM 819 N MET H 85 7.121 11.534 28.191 1.00 22.60 N ATOM 820 CA MET H 85 5.755 11.120 27.923 1.00 23.44 C ATOM 821 C MET H 85 4.867 11.626 29.046 1.00 24.45 C ATOM 822 O MET H 85 5.067 11.240 30.187 1.00 25.11 O ATOM 823 CB MET H 85 5.689 9.593 27.841 1.00 24.56 C ATOM 824 CG MET H 85 6.600 9.019 26.763 1.00 25.00 C ATOM 825 SD MET H 85 6.554 7.225 26.596 1.00 28.15 S ATOM 826 CE MET H 85 7.176 6.708 28.177 1.00 28.47 C ATOM 827 H MET H 85 7.592 11.173 29.045 1.00 0.00 H ATOM 828 N ASN H 86 3.903 12.483 28.716 1.00 24.58 N ATOM 829 CA ASN H 86 2.933 13.006 29.687 1.00 26.06 C ATOM 830 C ASN H 86 1.531 12.507 29.377 1.00 26.66 C ATOM 831 O ASN H 86 1.245 12.076 28.256 1.00 25.95 O ATOM 832 CB ASN H 86 2.933 14.534 29.663 1.00 26.26 C ATOM 833 CG ASN H 86 4.284 15.130 30.017 1.00 27.29 C ATOM 834 OD1 ASN H 86 5.038 14.577 30.814 1.00 28.68 O ATOM 835 ND2 ASN H 86 4.588 16.277 29.427 1.00 29.95 N ATOM 836 HD22 ASN H 86 3.920 16.711 28.758 1.00 0.00 H ATOM 837 HD21 ASN H 86 5.495 16.743 29.633 1.00 0.00 H ATOM 838 H ASN H 86 3.834 12.796 27.727 1.00 0.00 H ATOM 839 N ASN H 87 0.652 12.576 30.379 1.00 27.81 N ATOM 840 CA ASN H 87 -0.756 12.177 30.233 1.00 29.19 C ATOM 841 C ASN H 87 -0.874 10.799 29.571 1.00 28.64 C ATOM 842 O ASN H 87 -1.584 10.630 28.581 1.00 29.13 O ATOM 843 CB ASN H 87 -1.541 13.233 29.436 1.00 31.30 C ATOM 844 CG ASN H 87 -1.739 14.525 30.205 1.00 33.81 C ATOM 845 OD1 ASN H 87 -2.331 14.533 31.285 1.00 36.83 O ATOM 846 ND2 ASN H 87 -1.268 15.632 29.637 1.00 35.86 N ATOM 847 HD22 ASN H 87 -0.774 15.578 28.723 1.00 0.00 H ATOM 848 HD21 ASN H 87 -1.394 16.551 30.107 1.00 0.00 H ATOM 849 H ASN H 87 0.977 12.927 31.303 1.00 0.00 H ATOM 850 N LEU H 88 -0.156 9.825 30.123 1.00 28.38 N ATOM 851 CA LEU H 88 -0.108 8.481 29.540 1.00 28.50 C ATOM 852 C LEU H 88 -1.489 7.817 29.491 1.00 28.51 C ATOM 853 O LEU H 88 -2.307 7.987 30.398 1.00 27.70 O ATOM 854 CB LEU H 88 0.905 7.591 30.276 1.00 29.21 C ATOM 855 CG LEU H 88 2.371 7.894 29.914 1.00 29.77 C ATOM 856 CD1 LEU H 88 3.329 7.394 30.988 1.00 31.33 C ATOM 857 CD2 LEU H 88 2.736 7.304 28.557 1.00 30.32 C ATOM 858 H LEU H 88 0.385 10.022 30.989 1.00 0.00 H ATOM 859 N ARG H 89 -1.736 7.092 28.404 1.00 28.46 N ATOM 860 CA ARG H 89 -2.994 6.393 28.161 1.00 29.20 C ATOM 861 C ARG H 89 -2.698 4.908 28.041 1.00 27.86 C ATOM 862 O ARG H 89 -1.571 4.524 27.726 1.00 25.67 O ATOM 863 CB ARG H 89 -3.617 6.871 26.849 1.00 30.93 C ATOM 864 CG ARG H 89 -3.878 8.365 26.747 1.00 33.01 C ATOM 865 CD ARG H 89 -4.205 8.747 25.311 1.00 34.52 C ATOM 866 NE ARG H 89 -4.591 10.150 25.168 1.00 36.81 N ATOM 867 CZ ARG H 89 -4.834 10.765 24.009 1.00 37.94 C ATOM 868 NH1 ARG H 89 -4.737 10.118 22.845 1.00 39.44 N ATOM 869 NH2 ARG H 89 -5.182 12.049 24.008 1.00 38.99 N ATOM 870 HE ARG H 89 -4.683 10.713 26.038 1.00 0.00 H ATOM 871 HH12 ARG H 89 -4.931 10.618 21.954 1.00 0.00 H ATOM 872 HH11 ARG H 89 -4.467 9.114 22.829 1.00 0.00 H ATOM 873 HH22 ARG H 89 -5.373 12.535 23.109 1.00 0.00 H ATOM 874 HH21 ARG H 89 -5.263 12.566 24.906 1.00 0.00 H ATOM 875 H ARG H 89 -0.989 7.019 27.685 1.00 0.00 H ATOM 876 N ALA H 90 -3.707 4.070 28.253 1.00 27.44 N ATOM 877 CA ALA H 90 -3.557 2.622 28.049 1.00 27.21 C ATOM 878 C ALA H 90 -2.997 2.282 26.658 1.00 27.03 C ATOM 879 O ALA H 90 -2.166 1.378 26.528 1.00 26.50 O ATOM 880 CB ALA H 90 -4.882 1.905 28.275 1.00 27.66 C ATOM 881 H ALA H 90 -4.623 4.447 28.570 1.00 0.00 H ATOM 882 N GLU H 91 -3.430 3.030 25.642 1.00 26.91 N ATOM 883 CA GLU H 91 -2.970 2.824 24.259 1.00 27.22 C ATOM 884 C GLU H 91 -1.484 3.159 24.016 1.00 25.23 C ATOM 885 O GLU H 91 -0.949 2.801 22.972 1.00 24.74 O ATOM 886 CB GLU H 91 -3.869 3.583 23.269 1.00 29.45 C ATOM 887 CG GLU H 91 -3.691 5.094 23.256 1.00 32.19 C ATOM 888 CD GLU H 91 -4.961 5.844 22.880 1.00 35.69 C ATOM 889 OE1 GLU H 91 -5.856 5.983 23.741 1.00 41.19 O ATOM 890 OE2 GLU H 91 -5.066 6.307 21.729 1.00 38.66 O ATOM 891 H GLU H 91 -4.118 3.786 25.834 1.00 0.00 H ATOM 892 N ASP H 92 -0.831 3.842 24.960 1.00 23.02 N ATOM 893 CA ASP H 92 0.627 4.049 24.902 1.00 22.08 C ATOM 894 C ASP H 92 1.425 2.831 25.342 1.00 21.21 C ATOM 895 O ASP H 92 2.651 2.839 25.235 1.00 21.18 O ATOM 896 CB ASP H 92 1.066 5.228 25.775 1.00 22.34 C ATOM 897 CG ASP H 92 0.473 6.538 25.338 1.00 22.69 C ATOM 898 OD1 ASP H 92 0.390 6.815 24.124 1.00 22.64 O ATOM 899 OD2 ASP H 92 0.105 7.321 26.243 1.00 24.04 O ATOM 900 H ASP H 92 -1.366 4.239 25.758 1.00 0.00 H ATOM 901 N THR H 93 0.769 1.796 25.861 1.00 21.19 N ATOM 902 CA THR H 93 1.456 0.562 26.216 1.00 21.09 C ATOM 903 C THR H 93 2.200 -0.020 25.007 1.00 21.21 C ATOM 904 O THR H 93 1.637 -0.125 23.918 1.00 21.57 O ATOM 905 CB THR H 93 0.472 -0.477 26.792 1.00 21.41 C ATOM 906 OG1 THR H 93 -0.004 -0.006 28.057 1.00 21.54 O ATOM 907 CG2 THR H 93 1.127 -1.840 26.987 1.00 21.70 C ATOM 908 HG1 THR H 93 -0.465 0.861 27.933 1.00 0.00 H ATOM 909 H THR H 93 -0.257 1.870 26.016 1.00 0.00 H ATOM 910 N GLY H 94 3.470 -0.365 25.207 1.00 20.58 N ATOM 911 CA GLY H 94 4.267 -1.028 24.175 1.00 19.99 C ATOM 912 C GLY H 94 5.749 -1.055 24.492 1.00 20.05 C ATOM 913 O GLY H 94 6.182 -0.552 25.537 1.00 20.45 O ATOM 914 H GLY H 94 3.910 -0.157 26.126 1.00 0.00 H ATOM 915 N ILE H 95 6.525 -1.643 23.591 1.00 19.49 N ATOM 916 CA ILE H 95 7.979 -1.608 23.668 1.00 19.06 C ATOM 917 C ILE H 95 8.436 -0.414 22.841 1.00 18.51 C ATOM 918 O ILE H 95 8.076 -0.300 21.668 1.00 18.87 O ATOM 919 CB ILE H 95 8.633 -2.902 23.143 1.00 19.85 C ATOM 920 CG1 ILE H 95 8.030 -4.131 23.838 1.00 20.38 C ATOM 921 CG2 ILE H 95 10.145 -2.858 23.350 1.00 20.53 C ATOM 922 CD1 ILE H 95 8.386 -5.449 23.187 1.00 21.20 C ATOM 923 H ILE H 95 6.078 -2.148 22.799 1.00 0.00 H ATOM 924 N TYR H 96 9.234 0.459 23.461 1.00 17.29 N ATOM 925 CA TYR H 96 9.711 1.689 22.840 1.00 17.40 C ATOM 926 C TYR H 96 11.168 1.537 22.419 1.00 17.44 C ATOM 927 O TYR H 96 12.030 1.186 23.237 1.00 18.42 O ATOM 928 CB TYR H 96 9.549 2.872 23.806 1.00 16.99 C ATOM 929 CG TYR H 96 8.119 3.367 23.892 1.00 16.98 C ATOM 930 CD1 TYR H 96 7.132 2.597 24.511 1.00 17.04 C ATOM 931 CD2 TYR H 96 7.745 4.585 23.337 1.00 17.27 C ATOM 932 CE1 TYR H 96 5.814 3.032 24.577 1.00 17.12 C ATOM 933 CE2 TYR H 96 6.432 5.033 23.405 1.00 17.17 C ATOM 934 CZ TYR H 96 5.469 4.256 24.021 1.00 17.29 C ATOM 935 OH TYR H 96 4.166 4.699 24.080 1.00 17.96 O ATOM 936 HH TYR H 96 3.611 4.028 24.551 1.00 0.00 H ATOM 937 H TYR H 96 9.530 0.251 24.436 1.00 0.00 H ATOM 938 N TYR H 97 11.423 1.781 21.133 1.00 17.41 N ATOM 939 CA TYR H 97 12.754 1.677 20.535 1.00 17.83 C ATOM 940 C TYR H 97 13.214 3.037 20.025 1.00 18.00 C ATOM 941 O TYR H 97 12.426 3.788 19.444 1.00 17.98 O ATOM 942 CB TYR H 97 12.741 0.712 19.337 1.00 18.36 C ATOM 943 CG TYR H 97 12.158 -0.645 19.629 1.00 18.90 C ATOM 944 CD1 TYR H 97 10.793 -0.878 19.485 1.00 19.34 C ATOM 945 CD2 TYR H 97 12.967 -1.704 20.041 1.00 19.08 C ATOM 946 CE1 TYR H 97 10.245 -2.119 19.742 1.00 20.53 C ATOM 947 CE2 TYR H 97 12.428 -2.954 20.308 1.00 20.10 C ATOM 948 CZ TYR H 97 11.063 -3.151 20.155 1.00 20.13 C ATOM 949 OH TYR H 97 10.480 -4.364 20.410 1.00 22.34 O ATOM 950 HH TYR H 97 9.506 -4.302 20.243 1.00 0.00 H ATOM 951 H TYR H 97 10.631 2.061 20.520 1.00 0.00 H ATOM 952 N CYS H 98 14.491 3.338 20.233 1.00 18.67 N ATOM 953 CA CYS H 98 15.163 4.414 19.525 1.00 20.37 C ATOM 954 C CYS H 98 15.828 3.803 18.291 1.00 19.08 C ATOM 955 O CYS H 98 16.357 2.687 18.347 1.00 18.54 O ATOM 956 CB CYS H 98 16.177 5.116 20.430 1.00 23.09 C ATOM 957 SG CYS H 98 17.481 4.031 21.046 1.00 28.84 S ATOM 958 H CYS H 98 15.030 2.783 20.928 1.00 0.00 H ATOM 959 N THR H 99 15.755 4.522 17.177 1.00 18.02 N ATOM 960 CA THR H 99 16.206 4.010 15.890 1.00 18.17 C ATOM 961 C THR H 99 16.530 5.150 14.925 1.00 18.31 C ATOM 962 O THR H 99 15.890 6.211 14.948 1.00 18.07 O ATOM 963 CB THR H 99 15.162 3.026 15.278 1.00 18.47 C ATOM 964 OG1 THR H 99 15.543 2.676 13.946 1.00 18.87 O ATOM 965 CG2 THR H 99 13.753 3.624 15.246 1.00 19.01 C ATOM 966 HG1 THR H 99 16.432 2.240 13.962 1.00 0.00 H ATOM 967 H THR H 99 15.362 5.484 17.225 1.00 0.00 H ATOM 968 N GLY H 100 17.528 4.922 14.079 1.00 18.44 N ATOM 969 CA GLY H 100 17.850 5.846 13.009 1.00 18.58 C ATOM 970 C GLY H 100 18.898 5.293 12.068 1.00 19.14 C ATOM 971 O GLY H 100 19.292 4.129 12.194 1.00 19.33 O ATOM 972 H GLY H 100 18.094 4.056 14.187 1.00 0.00 H ATOM 973 N VAL H 101 19.350 6.172 11.172 1.00 19.88 N ATOM 974 CA VAL H 101 20.394 5.930 10.148 1.00 20.71 C ATOM 975 C VAL H 101 19.847 5.219 8.907 1.00 20.92 C ATOM 976 O VAL H 101 19.561 4.022 8.934 1.00 21.40 O ATOM 977 CB VAL H 101 21.656 5.204 10.679 1.00 20.87 C ATOM 978 CG1 VAL H 101 22.705 5.069 9.571 1.00 21.38 C ATOM 979 CG2 VAL H 101 22.235 5.945 11.886 1.00 21.07 C ATOM 980 H VAL H 101 18.928 7.122 11.194 1.00 0.00 H ATOM 981 N GLY H 102 19.699 5.982 7.835 1.00 21.20 N ATOM 982 CA GLY H 102 19.403 5.452 6.502 1.00 21.13 C ATOM 983 C GLY H 102 18.293 4.427 6.278 1.00 21.88 C ATOM 984 O GLY H 102 18.545 3.424 5.612 1.00 23.29 O ATOM 985 H GLY H 102 19.798 7.011 7.945 1.00 0.00 H ATOM 986 N GLN H 103 17.068 4.610 6.776 1.00 19.81 N ATOM 987 CA GLN H 103 16.644 5.577 7.787 1.00 19.18 C ATOM 988 C GLN H 103 16.365 4.877 9.130 1.00 18.56 C ATOM 989 O GLN H 103 16.229 5.554 10.140 1.00 18.73 O ATOM 990 CB GLN H 103 15.376 6.302 7.313 1.00 19.00 C ATOM 991 CG GLN H 103 15.600 7.354 6.228 1.00 19.45 C ATOM 992 CD GLN H 103 16.059 6.810 4.880 1.00 20.24 C ATOM 993 OE1 GLN H 103 15.455 5.895 4.310 1.00 20.44 O ATOM 994 NE2 GLN H 103 17.140 7.388 4.357 1.00 20.57 N ATOM 995 HE22 GLN H 103 17.619 8.155 4.870 1.00 0.00 H ATOM 996 HE21 GLN H 103 17.505 7.072 3.436 1.00 0.00 H ATOM 997 H GLN H 103 16.324 3.989 6.399 1.00 0.00 H ATOM 998 N PHE H 104 16.312 3.559 9.124 1.00 18.18 N ATOM 999 CA PHE H 104 16.047 2.765 10.318 1.00 18.29 C ATOM 1000 C PHE H 104 16.986 1.566 10.426 1.00 18.53 C ATOM 1001 O PHE H 104 16.545 0.530 10.768 1.00 17.77 O ATOM 1002 CB PHE H 104 14.602 2.256 10.338 1.00 18.14 C ATOM 1003 CG PHE H 104 13.574 3.341 10.380 1.00 18.39 C ATOM 1004 CD1 PHE H 104 13.274 3.961 11.553 1.00 18.64 C ATOM 1005 CD2 PHE H 104 12.926 3.722 9.252 1.00 18.60 C ATOM 1006 CE1 PHE H 104 12.337 4.957 11.590 1.00 18.87 C ATOM 1007 CE2 PHE H 104 11.995 4.705 9.272 1.00 18.50 C ATOM 1008 CZ PHE H 104 11.702 5.328 10.446 1.00 18.31 C ATOM 1009 H PHE H 104 16.467 3.062 8.224 1.00 0.00 H ATOM 1010 N ALA H 107 18.271 1.771 10.108 1.00 20.95 N ATOM 1011 CA ALA H 107 19.303 0.734 10.164 1.00 20.52 C ATOM 1012 C ALA H 107 19.549 0.124 11.542 1.00 19.91 C ATOM 1013 O ALA H 107 19.539 -1.042 11.705 1.00 19.65 O ATOM 1014 CB ALA H 107 20.634 1.263 9.641 1.00 20.93 C ATOM 1015 H ALA H 107 18.553 2.725 9.803 1.00 0.00 H ATOM 1016 N TYR H 108 19.564 0.988 12.527 1.00 20.38 N ATOM 1017 CA TYR H 108 19.930 0.599 13.881 1.00 21.07 C ATOM 1018 C TYR H 108 18.784 0.807 14.858 1.00 19.58 C ATOM 1019 O TYR H 108 18.120 1.842 14.814 1.00 19.03 O ATOM 1020 CB TYR H 108 21.139 1.412 14.352 1.00 22.71 C ATOM 1021 CG TYR H 108 22.311 1.394 13.394 1.00 25.29 C ATOM 1022 CD1 TYR H 108 22.877 0.188 12.971 1.00 26.56 C ATOM 1023 CD2 TYR H 108 22.856 2.584 12.915 1.00 27.42 C ATOM 1024 CE1 TYR H 108 23.955 0.172 12.089 1.00 28.14 C ATOM 1025 CE2 TYR H 108 23.933 2.579 12.038 1.00 29.24 C ATOM 1026 CZ TYR H 108 24.474 1.374 11.628 1.00 29.41 C ATOM 1027 OH TYR H 108 25.545 1.390 10.760 1.00 31.45 O ATOM 1028 HH TYR H 108 25.820 0.460 10.559 1.00 0.00 H ATOM 1029 H TYR H 108 19.308 1.978 12.336 1.00 0.00 H ATOM 1030 N TRP H 109 18.569 -0.197 15.703 1.00 19.62 N ATOM 1031 CA TRP H 109 17.509 -0.237 16.708 1.00 19.33 C ATOM 1032 C TRP H 109 18.124 -0.676 18.019 1.00 20.14 C ATOM 1033 O TRP H 109 18.976 -1.557 18.038 1.00 21.13 O ATOM 1034 CB TRP H 109 16.442 -1.274 16.321 1.00 18.53 C ATOM 1035 CG TRP H 109 15.676 -0.919 15.094 1.00 17.89 C ATOM 1036 CD1 TRP H 109 16.151 -0.851 13.808 1.00 17.66 C ATOM 1037 CD2 TRP H 109 14.287 -0.579 15.023 1.00 17.35 C ATOM 1038 NE1 TRP H 109 15.146 -0.483 12.954 1.00 17.81 N ATOM 1039 CE2 TRP H 109 13.995 -0.304 13.670 1.00 17.13 C ATOM 1040 CE3 TRP H 109 13.258 -0.481 15.972 1.00 17.40 C ATOM 1041 CZ2 TRP H 109 12.716 0.072 13.240 1.00 17.80 C ATOM 1042 CZ3 TRP H 109 11.980 -0.109 15.543 1.00 17.58 C ATOM 1043 CH2 TRP H 109 11.727 0.165 14.191 1.00 17.81 C ATOM 1044 HE1 TRP H 109 15.243 -0.359 11.926 1.00 0.00 H ATOM 1045 H TRP H 109 19.205 -1.018 15.644 1.00 0.00 H ATOM 1046 N GLY H 110 17.679 -0.104 19.132 1.00 20.26 N ATOM 1047 CA GLY H 110 18.037 -0.674 20.424 1.00 20.57 C ATOM 1048 C GLY H 110 17.197 -1.900 20.757 1.00 20.75 C ATOM 1049 O GLY H 110 16.330 -2.304 19.973 1.00 20.33 O ATOM 1050 H GLY H 110 17.080 0.744 19.082 1.00 0.00 H ATOM 1051 N GLN H 111 17.467 -2.499 21.914 1.00 21.66 N ATOM 1052 CA GLN H 111 16.714 -3.663 22.409 1.00 22.12 C ATOM 1053 C GLN H 111 15.287 -3.328 22.850 1.00 21.43 C ATOM 1054 O GLN H 111 14.438 -4.212 22.938 1.00 22.65 O ATOM 1055 CB GLN H 111 17.466 -4.355 23.568 1.00 23.80 C ATOM 1056 CG GLN H 111 17.272 -3.789 24.986 1.00 24.88 C ATOM 1057 CD GLN H 111 17.785 -2.366 25.196 1.00 25.47 C ATOM 1058 OE1 GLN H 111 18.737 -1.929 24.553 1.00 27.54 O ATOM 1059 NE2 GLN H 111 17.165 -1.650 26.132 1.00 27.09 N ATOM 1060 HE22 GLN H 111 16.363 -2.058 26.653 1.00 0.00 H ATOM 1061 HE21 GLN H 111 17.483 -0.682 26.342 1.00 0.00 H ATOM 1062 H GLN H 111 18.246 -2.128 22.495 1.00 0.00 H ATOM 1063 N GLY H 112 15.044 -2.059 23.165 1.00 21.08 N ATOM 1064 CA GLY H 112 13.717 -1.592 23.532 1.00 20.75 C ATOM 1065 C GLY H 112 13.538 -1.556 25.038 1.00 20.82 C ATOM 1066 O GLY H 112 14.185 -2.307 25.773 1.00 21.82 O ATOM 1067 H GLY H 112 15.830 -1.378 23.148 1.00 0.00 H ATOM 1068 N THR H 113 12.661 -0.663 25.481 1.00 19.59 N ATOM 1069 CA THR H 113 12.264 -0.567 26.884 1.00 20.09 C ATOM 1070 C THR H 113 10.735 -0.641 26.934 1.00 20.12 C ATOM 1071 O THR H 113 10.036 0.037 26.179 1.00 19.58 O ATOM 1072 CB THR H 113 12.847 0.700 27.572 1.00 20.09 C ATOM 1073 OG1 THR H 113 12.625 0.626 28.988 1.00 20.34 O ATOM 1074 CG2 THR H 113 12.242 1.994 27.034 1.00 20.04 C ATOM 1075 HG1 THR H 113 13.072 -0.180 29.349 1.00 0.00 H ATOM 1076 H THR H 113 12.238 -0.002 24.799 1.00 0.00 H ATOM 1077 N THR H 114 10.227 -1.498 27.812 1.00 20.88 N ATOM 1078 CA THR H 114 8.799 -1.787 27.881 1.00 22.17 C ATOM 1079 C THR H 114 8.083 -0.761 28.760 1.00 21.88 C ATOM 1080 O THR H 114 8.528 -0.466 29.871 1.00 21.97 O ATOM 1081 CB THR H 114 8.564 -3.212 28.412 1.00 23.49 C ATOM 1082 OG1 THR H 114 9.265 -4.141 27.572 1.00 24.84 O ATOM 1083 CG2 THR H 114 7.073 -3.571 28.420 1.00 24.45 C ATOM 1084 HG1 THR H 114 9.119 -5.061 27.906 1.00 0.00 H ATOM 1085 H THR H 114 10.869 -1.980 28.473 1.00 0.00 H ATOM 1086 N VAL H 115 6.983 -0.222 28.241 1.00 21.73 N ATOM 1087 CA VAL H 115 6.116 0.709 28.956 1.00 22.44 C ATOM 1088 C VAL H 115 4.740 0.055 29.037 1.00 22.96 C ATOM 1089 O VAL H 115 4.116 -0.203 28.007 1.00 22.48 O ATOM 1090 CB VAL H 115 6.016 2.057 28.210 1.00 23.14 C ATOM 1091 CG1 VAL H 115 4.994 2.988 28.856 1.00 23.78 C ATOM 1092 CG2 VAL H 115 7.383 2.728 28.138 1.00 23.37 C ATOM 1093 H VAL H 115 6.725 -0.480 27.267 1.00 0.00 H ATOM 1094 N THR H 116 4.282 -0.227 30.254 1.00 23.01 N ATOM 1095 CA THR H 116 2.970 -0.820 30.481 1.00 23.90 C ATOM 1096 C THR H 116 2.143 0.198 31.265 1.00 24.87 C ATOM 1097 O THR H 116 2.468 0.503 32.421 1.00 24.14 O ATOM 1098 CB THR H 116 3.092 -2.149 31.257 1.00 24.49 C ATOM 1099 OG1 THR H 116 3.967 -3.046 30.552 1.00 25.31 O ATOM 1100 CG2 THR H 116 1.734 -2.814 31.440 1.00 24.73 C ATOM 1101 HG1 THR H 116 3.598 -3.225 29.651 1.00 0.00 H ATOM 1102 H THR H 116 4.884 -0.016 31.076 1.00 0.00 H ATOM 1103 N VAL H 117 1.111 0.745 30.618 1.00 25.26 N ATOM 1104 CA VAL H 117 0.194 1.715 31.221 1.00 27.16 C ATOM 1105 C VAL H 117 -1.095 0.978 31.583 1.00 29.86 C ATOM 1106 O VAL H 117 -1.826 0.536 30.691 1.00 30.34 O ATOM 1107 CB VAL H 117 -0.124 2.896 30.268 1.00 26.32 C ATOM 1108 CG1 VAL H 117 -0.940 3.969 30.990 1.00 26.50 C ATOM 1109 CG2 VAL H 117 1.156 3.496 29.704 1.00 25.89 C ATOM 1110 H VAL H 117 0.949 0.466 29.629 1.00 0.00 H ATOM 1111 N SER H 118 -1.364 0.844 32.882 1.00 32.23 N ATOM 1112 CA SER H 118 -2.534 0.100 33.366 1.00 33.51 C ATOM 1113 C SER H 118 -2.972 0.567 34.752 1.00 34.53 C ATOM 1114 O SER H 118 -2.143 0.900 35.596 1.00 35.33 O ATOM 1115 CB SER H 118 -2.220 -1.397 33.394 1.00 34.51 C ATOM 1116 OG SER H 118 -3.312 -2.146 33.901 1.00 35.16 O ATOM 1117 HG SER H 118 -3.077 -3.108 33.906 1.00 0.00 H ATOM 1118 H SER H 118 -0.724 1.281 33.576 1.00 0.00 H TER 1119 SER H 118 ATOM 1120 N ASP H1008 -5.274 9.623 7.605 1.00 42.55 N ATOM 1121 CA ASP H1008 -5.233 8.244 8.065 1.00 41.49 C ATOM 1122 C ASP H1008 -4.766 7.349 6.911 1.00 38.23 C ATOM 1123 O ASP H1008 -5.561 6.688 6.234 1.00 37.86 O ATOM 1124 CB ASP H1008 -6.609 7.830 8.596 1.00 44.40 C ATOM 1125 CG ASP H1008 -6.573 6.576 9.476 1.00 46.61 C ATOM 1126 OD1 ASP H1008 -5.523 5.901 9.569 1.00 48.69 O ATOM 1127 OD2 ASP H1008 -7.621 6.263 10.088 1.00 48.62 O ATOM 1128 HN3 ASP H1008 -5.937 9.702 6.808 1.00 0.00 H ATOM 1129 HN2 ASP H1008 -4.324 9.913 7.297 1.00 0.00 H ATOM 1130 HN1 ASP H1008 -5.590 10.237 8.382 1.00 0.00 H ATOM 1131 N ILE H1009 -3.457 7.360 6.695 1.00 33.57 N ATOM 1132 CA ILE H1009 -2.817 6.558 5.657 1.00 31.84 C ATOM 1133 C ILE H1009 -2.625 5.141 6.184 1.00 29.75 C ATOM 1134 O ILE H1009 -2.215 4.956 7.333 1.00 30.39 O ATOM 1135 CB ILE H1009 -1.450 7.161 5.254 1.00 31.32 C ATOM 1136 CG1 ILE H1009 -1.647 8.554 4.635 1.00 31.35 C ATOM 1137 CG2 ILE H1009 -0.709 6.240 4.284 1.00 31.53 C ATOM 1138 CD1 ILE H1009 -0.395 9.406 4.592 1.00 32.15 C ATOM 1139 H ILE H1009 -2.860 7.967 7.292 1.00 0.00 H ATOM 1140 N VAL H1010 -2.928 4.151 5.342 1.00 27.94 N ATOM 1141 CA VAL H1010 -2.675 2.745 5.668 1.00 26.76 C ATOM 1142 C VAL H1010 -1.663 2.164 4.678 1.00 24.57 C ATOM 1143 O VAL H1010 -1.794 2.328 3.465 1.00 24.03 O ATOM 1144 CB VAL H1010 -3.969 1.894 5.762 1.00 28.77 C ATOM 1145 CG1 VAL H1010 -4.929 2.513 6.768 1.00 29.40 C ATOM 1146 CG2 VAL H1010 -4.676 1.727 4.429 1.00 29.79 C ATOM 1147 H VAL H1010 -3.358 4.385 4.424 1.00 0.00 H ATOM 1148 N VAL H1011 -0.628 1.538 5.228 1.00 22.32 N ATOM 1149 CA VAL H1011 0.382 0.839 4.457 1.00 20.93 C ATOM 1150 C VAL H1011 0.097 -0.651 4.632 1.00 20.87 C ATOM 1151 O VAL H1011 -0.001 -1.145 5.767 1.00 20.79 O ATOM 1152 CB VAL H1011 1.795 1.215 4.937 1.00 20.11 C ATOM 1153 CG1 VAL H1011 2.848 0.363 4.235 1.00 19.68 C ATOM 1154 CG2 VAL H1011 2.061 2.691 4.686 1.00 20.32 C ATOM 1155 H VAL H1011 -0.538 1.550 6.264 1.00 0.00 H ATOM 1156 N THR H1012 -0.058 -1.357 3.514 1.00 20.12 N ATOM 1157 CA THR H1012 -0.473 -2.757 3.527 1.00 20.33 C ATOM 1158 C THR H1012 0.642 -3.671 3.016 1.00 18.86 C ATOM 1159 O THR H1012 1.230 -3.426 1.955 1.00 18.70 O ATOM 1160 CB THR H1012 -1.755 -2.959 2.697 1.00 21.81 C ATOM 1161 OG1 THR H1012 -2.792 -2.133 3.243 1.00 23.89 O ATOM 1162 CG2 THR H1012 -2.207 -4.415 2.718 1.00 22.57 C ATOM 1163 HG1 THR H1012 -2.512 -1.184 3.204 1.00 0.00 H ATOM 1164 H THR H1012 0.123 -0.895 2.600 1.00 0.00 H ATOM 1165 N GLN H1013 0.880 -4.730 3.784 1.00 17.51 N ATOM 1166 CA GLN H1013 1.820 -5.796 3.457 1.00 17.27 C ATOM 1167 C GLN H1013 1.088 -7.132 3.493 1.00 17.99 C ATOM 1168 O GLN H1013 0.062 -7.270 4.154 1.00 18.49 O ATOM 1169 CB GLN H1013 2.933 -5.831 4.499 1.00 17.36 C ATOM 1170 CG GLN H1013 3.777 -4.572 4.566 1.00 17.40 C ATOM 1171 CD GLN H1013 4.900 -4.720 5.565 1.00 17.26 C ATOM 1172 OE1 GLN H1013 4.890 -4.094 6.636 1.00 17.04 O ATOM 1173 NE2 GLN H1013 5.861 -5.579 5.247 1.00 17.16 N ATOM 1174 HE22 GLN H1013 5.829 -6.082 4.337 1.00 0.00 H ATOM 1175 HE21 GLN H1013 6.646 -5.749 5.908 1.00 0.00 H ATOM 1176 H GLN H1013 0.359 -4.803 4.681 1.00 0.00 H ATOM 1177 N GLU H1014 1.650 -8.131 2.825 1.00 16.94 N ATOM 1178 CA GLU H1014 1.122 -9.489 2.890 1.00 17.18 C ATOM 1179 C GLU H1014 1.154 -9.944 4.343 1.00 17.25 C ATOM 1180 O GLU H1014 2.143 -9.719 5.021 1.00 17.59 O ATOM 1181 CB GLU H1014 1.984 -10.440 2.056 1.00 17.21 C ATOM 1182 CG GLU H1014 1.898 -10.223 0.556 1.00 17.93 C ATOM 1183 CD GLU H1014 2.918 -9.245 -0.003 1.00 18.09 C ATOM 1184 OE1 GLU H1014 3.671 -8.593 0.762 1.00 18.59 O ATOM 1185 OE2 GLU H1014 2.984 -9.128 -1.238 1.00 19.68 O ATOM 1186 H GLU H1014 2.489 -7.941 2.240 1.00 0.00 H ATOM 1187 N SER H1015 0.092 -10.574 4.837 1.00 17.08 N ATOM 1188 CA SER H1015 0.100 -11.032 6.231 1.00 17.27 C ATOM 1189 C SER H1015 1.165 -12.097 6.465 1.00 16.67 C ATOM 1190 O SER H1015 1.907 -12.050 7.458 1.00 17.75 O ATOM 1191 CB SER H1015 -1.281 -11.534 6.649 1.00 17.94 C ATOM 1192 OG SER H1015 -2.190 -10.453 6.673 1.00 21.13 O ATOM 1193 HG SER H1015 -3.084 -10.781 6.944 1.00 0.00 H ATOM 1194 H SER H1015 -0.741 -10.741 4.237 1.00 0.00 H ATOM 1195 N ALA H1016 1.236 -13.054 5.542 1.00 16.10 N ATOM 1196 CA ALA H1016 2.207 -14.144 5.625 1.00 16.71 C ATOM 1197 C ALA H1016 2.644 -14.565 4.243 1.00 16.42 C ATOM 1198 O ALA H1016 1.892 -14.449 3.290 1.00 16.82 O ATOM 1199 CB ALA H1016 1.598 -15.332 6.341 1.00 17.20 C ATOM 1200 H ALA H1016 0.580 -13.025 4.736 1.00 0.00 H ATOM 1201 N LEU H1017 3.888 -15.033 4.142 1.00 16.32 N ATOM 1202 CA LEU H1017 4.373 -15.724 2.957 1.00 16.69 C ATOM 1203 C LEU H1017 5.180 -16.920 3.417 1.00 16.19 C ATOM 1204 O LEU H1017 5.812 -16.877 4.483 1.00 16.96 O ATOM 1205 CB LEU H1017 5.222 -14.796 2.087 1.00 16.70 C ATOM 1206 CG LEU H1017 4.493 -13.635 1.407 1.00 17.64 C ATOM 1207 CD1 LEU H1017 5.493 -12.660 0.804 1.00 18.05 C ATOM 1208 CD2 LEU H1017 3.542 -14.141 0.338 1.00 17.86 C ATOM 1209 H LEU H1017 4.538 -14.899 4.943 1.00 0.00 H ATOM 1210 N THR H1018 5.124 -17.992 2.633 1.00 16.29 N ATOM 1211 CA THR H1018 5.872 -19.205 2.929 1.00 17.13 C ATOM 1212 C THR H1018 6.831 -19.472 1.783 1.00 16.96 C ATOM 1213 O THR H1018 6.452 -19.427 0.628 1.00 17.50 O ATOM 1214 CB THR H1018 4.929 -20.410 3.080 1.00 17.59 C ATOM 1215 OG1 THR H1018 3.946 -20.119 4.079 1.00 18.66 O ATOM 1216 CG2 THR H1018 5.713 -21.661 3.470 1.00 18.22 C ATOM 1217 HG1 THR H1018 3.338 -20.894 4.178 1.00 0.00 H ATOM 1218 H THR H1018 4.527 -17.963 1.782 1.00 0.00 H ATOM 1219 N THR H1019 8.089 -19.745 2.120 1.00 17.26 N ATOM 1220 CA THR H1019 9.101 -20.079 1.130 1.00 18.01 C ATOM 1221 C THR H1019 9.911 -21.262 1.654 1.00 18.08 C ATOM 1222 O THR H1019 9.564 -21.862 2.668 1.00 17.91 O ATOM 1223 CB THR H1019 9.980 -18.844 0.791 1.00 18.56 C ATOM 1224 OG1 THR H1019 10.768 -19.118 -0.372 1.00 19.36 O ATOM 1225 CG2 THR H1019 10.882 -18.447 1.950 1.00 18.52 C ATOM 1226 HG1 THR H1019 10.170 -19.315 -1.136 1.00 0.00 H ATOM 1227 H THR H1019 8.358 -19.719 3.124 1.00 0.00 H ATOM 1228 N SER H1020 10.989 -21.591 0.945 1.00 18.43 N ATOM 1229 CA SER H1020 11.922 -22.611 1.411 1.00 18.73 C ATOM 1230 C SER H1020 13.331 -22.180 1.065 1.00 17.99 C ATOM 1231 O SER H1020 13.516 -21.275 0.257 1.00 17.30 O ATOM 1232 CB SER H1020 11.600 -23.995 0.834 1.00 19.54 C ATOM 1233 OG SER H1020 11.809 -24.077 -0.548 1.00 20.98 O ATOM 1234 HG SER H1020 11.585 -24.989 -0.861 1.00 0.00 H ATOM 1235 H SER H1020 11.170 -21.111 0.040 1.00 0.00 H ATOM 1236 N PRO H1021 14.329 -22.817 1.705 1.00 17.59 N ATOM 1237 CA PRO H1021 15.692 -22.395 1.412 1.00 17.17 C ATOM 1238 C PRO H1021 16.036 -22.457 -0.067 1.00 16.73 C ATOM 1239 O PRO H1021 15.716 -23.436 -0.748 1.00 16.58 O ATOM 1240 CB PRO H1021 16.529 -23.390 2.195 1.00 17.61 C ATOM 1241 CG PRO H1021 15.689 -23.721 3.363 1.00 17.96 C ATOM 1242 CD PRO H1021 14.310 -23.824 2.787 1.00 18.13 C ATOM 1243 N GLY H1022 16.675 -21.399 -0.556 1.00 15.80 N ATOM 1244 CA GLY H1022 17.126 -21.329 -1.929 1.00 16.12 C ATOM 1245 C GLY H1022 16.137 -20.724 -2.906 1.00 15.93 C ATOM 1246 O GLY H1022 16.457 -20.512 -4.063 1.00 15.97 O ATOM 1247 H GLY H1022 16.858 -20.591 0.072 1.00 0.00 H ATOM 1248 N GLU H1023 14.923 -20.434 -2.446 1.00 17.25 N ATOM 1249 CA GLU H1023 13.960 -19.812 -3.328 1.00 17.87 C ATOM 1250 C GLU H1023 14.085 -18.313 -3.323 1.00 17.27 C ATOM 1251 O GLU H1023 14.756 -17.735 -2.471 1.00 16.80 O ATOM 1252 CB GLU H1023 12.570 -20.223 -2.928 1.00 19.21 C ATOM 1253 CG GLU H1023 12.441 -21.715 -3.073 1.00 21.75 C ATOM 1254 CD GLU H1023 12.320 -22.189 -4.509 1.00 23.51 C ATOM 1255 OE1 GLU H1023 11.473 -21.670 -5.270 1.00 25.77 O ATOM 1256 OE2 GLU H1023 13.058 -23.121 -4.862 1.00 25.87 O ATOM 1257 H GLU H1023 14.669 -20.652 -1.462 1.00 0.00 H ATOM 1258 N THR H1024 13.461 -17.690 -4.310 1.00 18.06 N ATOM 1259 CA THR H1024 13.383 -16.249 -4.380 1.00 18.40 C ATOM 1260 C THR H1024 11.996 -15.857 -3.903 1.00 18.57 C ATOM 1261 O THR H1024 10.991 -16.431 -4.347 1.00 21.27 O ATOM 1262 CB THR H1024 13.714 -15.748 -5.789 1.00 19.10 C ATOM 1263 OG1 THR H1024 15.064 -16.128 -6.085 1.00 20.24 O ATOM 1264 CG2 THR H1024 13.590 -14.231 -5.882 1.00 19.73 C ATOM 1265 HG1 THR H1024 15.302 -15.814 -6.993 1.00 0.00 H ATOM 1266 H THR H1024 13.013 -18.256 -5.059 1.00 0.00 H ATOM 1267 N VAL H1025 11.934 -14.936 -2.948 1.00 17.00 N ATOM 1268 CA VAL H1025 10.651 -14.500 -2.400 1.00 17.04 C ATOM 1269 C VAL H1025 10.632 -12.985 -2.371 1.00 16.75 C ATOM 1270 O VAL H1025 11.636 -12.357 -2.042 1.00 16.57 O ATOM 1271 CB VAL H1025 10.365 -15.122 -1.010 1.00 17.50 C ATOM 1272 CG1 VAL H1025 11.374 -14.677 0.045 1.00 17.96 C ATOM 1273 CG2 VAL H1025 8.937 -14.810 -0.573 1.00 17.95 C ATOM 1274 H VAL H1025 12.814 -14.518 -2.584 1.00 0.00 H ATOM 1275 N THR H1026 9.490 -12.402 -2.723 1.00 15.95 N ATOM 1276 CA THR H1026 9.341 -10.956 -2.794 1.00 16.55 C ATOM 1277 C THR H1026 8.164 -10.529 -1.942 1.00 16.53 C ATOM 1278 O THR H1026 7.062 -11.040 -2.095 1.00 17.55 O ATOM 1279 CB THR H1026 9.216 -10.482 -4.243 1.00 17.12 C ATOM 1280 OG1 THR H1026 10.462 -10.752 -4.906 1.00 18.50 O ATOM 1281 CG2 THR H1026 8.934 -8.991 -4.340 1.00 17.49 C ATOM 1282 HG1 THR H1026 11.191 -10.264 -4.447 1.00 0.00 H ATOM 1283 H THR H1026 8.673 -13.002 -2.956 1.00 0.00 H ATOM 1284 N LEU H1027 8.440 -9.625 -1.005 1.00 16.43 N ATOM 1285 CA LEU H1027 7.447 -9.049 -0.103 1.00 16.48 C ATOM 1286 C LEU H1027 7.096 -7.688 -0.646 1.00 16.55 C ATOM 1287 O LEU H1027 7.967 -7.018 -1.176 1.00 16.88 O ATOM 1288 CB LEU H1027 8.055 -8.877 1.292 1.00 17.03 C ATOM 1289 CG LEU H1027 8.153 -10.129 2.151 1.00 17.89 C ATOM 1290 CD1 LEU H1027 9.047 -11.193 1.552 1.00 18.38 C ATOM 1291 CD2 LEU H1027 8.630 -9.774 3.544 1.00 17.73 C ATOM 1292 H LEU H1027 9.426 -9.309 -0.909 1.00 0.00 H ATOM 1293 N THR H1028 5.843 -7.258 -0.504 1.00 16.08 N ATOM 1294 CA THR H1028 5.437 -5.960 -1.049 1.00 16.93 C ATOM 1295 C THR H1028 4.770 -5.063 -0.017 1.00 16.62 C ATOM 1296 O THR H1028 4.343 -5.501 1.054 1.00 16.22 O ATOM 1297 CB THR H1028 4.539 -6.080 -2.296 1.00 17.54 C ATOM 1298 OG1 THR H1028 3.263 -6.582 -1.924 1.00 18.54 O ATOM 1299 CG2 THR H1028 5.168 -6.978 -3.341 1.00 17.67 C ATOM 1300 HG1 THR H1028 3.369 -7.475 -1.509 1.00 0.00 H ATOM 1301 H THR H1028 5.148 -7.848 -0.003 1.00 0.00 H ATOM 1302 N CYS H1029 4.712 -3.790 -0.377 1.00 16.93 N ATOM 1303 CA CYS H1029 4.361 -2.724 0.531 1.00 17.67 C ATOM 1304 C CYS H1029 3.578 -1.684 -0.272 1.00 18.61 C ATOM 1305 O CYS H1029 4.150 -1.000 -1.115 1.00 17.98 O ATOM 1306 CB CYS H1029 5.659 -2.144 1.091 1.00 18.30 C ATOM 1307 SG CYS H1029 5.439 -0.753 2.214 1.00 19.49 S ATOM 1308 H CYS H1029 4.930 -3.546 -1.364 1.00 0.00 H ATOM 1309 N ARG H1030 2.270 -1.601 -0.011 1.00 19.61 N ATOM 1310 CA ARG H1030 1.344 -0.752 -0.770 1.00 21.69 C ATOM 1311 C ARG H1030 0.908 0.437 0.073 1.00 21.74 C ATOM 1312 O ARG H1030 0.673 0.288 1.263 1.00 21.14 O ATOM 1313 CB ARG H1030 0.119 -1.568 -1.168 1.00 23.17 C ATOM 1314 CG ARG H1030 -1.026 -0.774 -1.782 1.00 25.75 C ATOM 1315 CD ARG H1030 -2.120 -1.716 -2.242 1.00 27.73 C ATOM 1316 NE ARG H1030 -1.715 -2.483 -3.416 1.00 29.90 N ATOM 1317 CZ ARG H1030 -1.668 -2.016 -4.667 1.00 31.04 C ATOM 1318 NH1 ARG H1030 -1.995 -0.753 -4.946 1.00 33.04 N ATOM 1319 NH2 ARG H1030 -1.284 -2.826 -5.651 1.00 31.24 N ATOM 1320 HE ARG H1030 -1.440 -3.475 -3.266 1.00 0.00 H ATOM 1321 HH12 ARG H1030 -1.952 -0.409 -5.927 1.00 0.00 H ATOM 1322 HH11 ARG H1030 -2.293 -0.112 -4.183 1.00 0.00 H ATOM 1323 HH22 ARG H1030 -1.244 -2.474 -6.629 1.00 0.00 H ATOM 1324 HH21 ARG H1030 -1.024 -3.811 -5.442 1.00 0.00 H ATOM 1325 H ARG H1030 1.888 -2.169 0.772 1.00 0.00 H ATOM 1326 N SER H1031 0.786 1.599 -0.572 1.00 22.64 N ATOM 1327 CA SER H1031 0.280 2.830 0.046 1.00 24.61 C ATOM 1328 C SER H1031 -1.172 3.066 -0.352 1.00 25.43 C ATOM 1329 O SER H1031 -1.525 2.939 -1.528 1.00 25.98 O ATOM 1330 CB SER H1031 1.120 4.024 -0.401 1.00 25.35 C ATOM 1331 OG SER H1031 0.592 5.243 0.112 1.00 26.67 O ATOM 1332 HG SER H1031 1.154 5.999 -0.192 1.00 0.00 H ATOM 1333 H SER H1031 1.066 1.634 -1.573 1.00 0.00 H ATOM 1334 N SER H1032 -2.002 3.445 0.622 1.00 26.30 N ATOM 1335 CA SER H1032 -3.396 3.816 0.347 1.00 27.46 C ATOM 1336 C SER H1032 -3.527 5.148 -0.402 1.00 28.38 C ATOM 1337 O SER H1032 -4.586 5.424 -0.966 1.00 29.87 O ATOM 1338 CB SER H1032 -4.195 3.882 1.644 1.00 27.57 C ATOM 1339 OG SER H1032 -3.690 4.879 2.509 1.00 27.04 O ATOM 1340 HG SER H1032 -3.743 5.760 2.061 1.00 0.00 H ATOM 1341 H SER H1032 -1.653 3.478 1.601 1.00 0.00 H ATOM 1342 N THR H1033 -2.471 5.964 -0.398 1.00 28.81 N ATOM 1343 CA THR H1033 -2.475 7.265 -1.082 1.00 29.43 C ATOM 1344 C THR H1033 -2.386 7.151 -2.606 1.00 29.26 C ATOM 1345 O THR H1033 -2.853 8.037 -3.320 1.00 31.44 O ATOM 1346 CB THR H1033 -1.330 8.186 -0.592 1.00 29.78 C ATOM 1347 OG1 THR H1033 -0.053 7.618 -0.913 1.00 30.44 O ATOM 1348 CG2 THR H1033 -1.422 8.421 0.910 1.00 29.84 C ATOM 1349 HG1 THR H1033 0.034 6.735 -0.473 1.00 0.00 H ATOM 1350 H THR H1033 -1.612 5.668 0.109 1.00 0.00 H ATOM 1351 N GLY H1034 -1.795 6.060 -3.092 1.00 28.21 N ATOM 1352 CA GLY H1034 -1.520 5.862 -4.515 1.00 27.12 C ATOM 1353 C GLY H1034 -0.237 5.071 -4.685 1.00 26.70 C ATOM 1354 O GLY H1034 0.153 4.319 -3.788 1.00 26.93 O ATOM 1355 H GLY H1034 -1.515 5.312 -2.426 1.00 0.00 H ATOM 1356 N ALA H1035 0.416 5.242 -5.830 1.00 25.80 N ATOM 1357 CA ALA H1035 1.665 4.535 -6.133 1.00 25.47 C ATOM 1358 C ALA H1035 2.783 4.926 -5.168 1.00 24.93 C ATOM 1359 O ALA H1035 2.909 6.092 -4.790 1.00 25.75 O ATOM 1360 CB ALA H1035 2.096 4.807 -7.566 1.00 25.75 C ATOM 1361 H ALA H1035 0.028 5.900 -6.536 1.00 0.00 H ATOM 1362 N VAL H1036 3.587 3.941 -4.765 1.00 24.03 N ATOM 1363 CA VAL H1036 4.797 4.205 -4.000 1.00 23.46 C ATOM 1364 C VAL H1036 5.879 4.640 -4.986 1.00 23.88 C ATOM 1365 O VAL H1036 6.085 3.990 -6.018 1.00 25.11 O ATOM 1366 CB VAL H1036 5.270 2.961 -3.208 1.00 22.40 C ATOM 1367 CG1 VAL H1036 6.563 3.262 -2.457 1.00 22.37 C ATOM 1368 CG2 VAL H1036 4.184 2.488 -2.249 1.00 22.52 C ATOM 1369 H VAL H1036 3.343 2.959 -5.004 1.00 0.00 H ATOM 1370 N THR H1037 6.556 5.737 -4.667 1.00 23.77 N ATOM 1371 CA THR H1037 7.629 6.268 -5.488 1.00 24.13 C ATOM 1372 C THR H1037 8.883 6.398 -4.638 1.00 22.79 C ATOM 1373 O THR H1037 8.840 6.178 -3.413 1.00 21.21 O ATOM 1374 CB THR H1037 7.254 7.655 -6.058 1.00 25.17 C ATOM 1375 OG1 THR H1037 7.208 8.618 -5.001 1.00 27.28 O ATOM 1376 CG2 THR H1037 5.892 7.604 -6.759 1.00 25.89 C ATOM 1377 HG1 THR H1037 6.967 9.503 -5.373 1.00 0.00 H ATOM 1378 H THR H1037 6.306 6.238 -3.790 1.00 0.00 H ATOM 1379 N THR H1038 9.992 6.783 -5.262 1.00 22.70 N ATOM 1380 CA THR H1038 11.223 7.032 -4.511 1.00 23.38 C ATOM 1381 C THR H1038 11.070 8.173 -3.494 1.00 23.29 C ATOM 1382 O THR H1038 11.808 8.206 -2.515 1.00 23.44 O ATOM 1383 CB THR H1038 12.432 7.303 -5.423 1.00 24.41 C ATOM 1384 OG1 THR H1038 12.134 8.402 -6.290 1.00 25.41 O ATOM 1385 CG2 THR H1038 12.767 6.067 -6.248 1.00 24.25 C ATOM 1386 HG1 THR H1038 11.344 8.179 -6.844 1.00 0.00 H ATOM 1387 H THR H1038 9.985 6.908 -6.294 1.00 0.00 H ATOM 1388 N SER H1039 10.100 9.072 -3.699 1.00 23.78 N ATOM 1389 CA SER H1039 9.784 10.120 -2.717 1.00 24.46 C ATOM 1390 C SER H1039 9.156 9.611 -1.414 1.00 24.02 C ATOM 1391 O SER H1039 9.000 10.390 -0.472 1.00 24.55 O ATOM 1392 CB SER H1039 8.875 11.188 -3.343 1.00 25.73 C ATOM 1393 OG SER H1039 9.533 11.817 -4.424 1.00 28.17 O ATOM 1394 HG SER H1039 8.937 12.502 -4.818 1.00 0.00 H ATOM 1395 H SER H1039 9.552 9.028 -4.582 1.00 0.00 H ATOM 1396 N ASN H1040 8.781 8.329 -1.359 1.00 23.08 N ATOM 1397 CA ASN H1040 8.378 7.684 -0.102 1.00 21.85 C ATOM 1398 C ASN H1040 9.526 7.010 0.663 1.00 20.84 C ATOM 1399 O ASN H1040 9.300 6.500 1.758 1.00 19.76 O ATOM 1400 CB ASN H1040 7.267 6.663 -0.353 1.00 22.03 C ATOM 1401 CG ASN H1040 6.000 7.296 -0.888 1.00 23.11 C ATOM 1402 OD1 ASN H1040 5.569 6.992 -1.998 1.00 23.38 O ATOM 1403 ND2 ASN H1040 5.391 8.172 -0.096 1.00 22.84 N ATOM 1404 HD22 ASN H1040 5.794 8.398 0.836 1.00 0.00 H ATOM 1405 HD21 ASN H1040 4.512 8.632 -0.408 1.00 0.00 H ATOM 1406 H ASN H1040 8.774 7.769 -2.236 1.00 0.00 H ATOM 1407 N TYR H1041 10.730 6.990 0.094 1.00 20.30 N ATOM 1408 CA TYR H1041 11.937 6.528 0.794 1.00 20.03 C ATOM 1409 C TYR H1041 11.724 5.223 1.566 1.00 18.65 C ATOM 1410 O TYR H1041 12.033 5.124 2.758 1.00 18.29 O ATOM 1411 CB TYR H1041 12.455 7.637 1.724 1.00 21.58 C ATOM 1412 CG TYR H1041 12.774 8.899 0.962 1.00 23.10 C ATOM 1413 CD1 TYR H1041 11.797 9.863 0.743 1.00 24.80 C ATOM 1414 CD2 TYR H1041 14.043 9.111 0.423 1.00 24.73 C ATOM 1415 CE1 TYR H1041 12.076 11.015 0.023 1.00 25.91 C ATOM 1416 CE2 TYR H1041 14.331 10.261 -0.301 1.00 25.46 C ATOM 1417 CZ TYR H1041 13.342 11.207 -0.492 1.00 26.23 C ATOM 1418 OH TYR H1041 13.609 12.353 -1.205 1.00 28.68 O ATOM 1419 HH TYR H1041 12.794 12.914 -1.243 1.00 0.00 H ATOM 1420 H TYR H1041 10.820 7.316 -0.890 1.00 0.00 H ATOM 1421 N ALA H1042 11.183 4.221 0.877 1.00 18.00 N ATOM 1422 CA ALA H1042 10.757 2.993 1.540 1.00 17.63 C ATOM 1423 C ALA H1042 11.909 2.351 2.316 1.00 16.81 C ATOM 1424 O ALA H1042 13.026 2.251 1.808 1.00 16.73 O ATOM 1425 CB ALA H1042 10.179 2.006 0.540 1.00 17.77 C ATOM 1426 H ALA H1042 11.062 4.315 -0.152 1.00 0.00 H ATOM 1427 N ASN H1043 11.628 1.961 3.560 1.00 16.18 N ATOM 1428 CA ASN H1043 12.546 1.191 4.385 1.00 16.31 C ATOM 1429 C ASN H1043 11.973 -0.192 4.647 1.00 15.91 C ATOM 1430 O ASN H1043 10.753 -0.369 4.696 1.00 16.29 O ATOM 1431 CB ASN H1043 12.779 1.871 5.735 1.00 16.34 C ATOM 1432 CG ASN H1043 13.795 2.978 5.662 1.00 16.76 C ATOM 1433 OD1 ASN H1043 14.832 2.919 6.323 1.00 16.71 O ATOM 1434 ND2 ASN H1043 13.505 4.006 4.861 1.00 16.80 N ATOM 1435 HD22 ASN H1043 12.616 4.011 4.322 1.00 0.00 H ATOM 1436 HD21 ASN H1043 14.169 4.802 4.776 1.00 0.00 H ATOM 1437 H ASN H1043 10.704 2.221 3.961 1.00 0.00 H ATOM 1438 N TRP H1044 12.869 -1.151 4.847 1.00 15.79 N ATOM 1439 CA TRP H1044 12.512 -2.505 5.244 1.00 15.70 C ATOM 1440 C TRP H1044 13.297 -2.862 6.491 1.00 16.04 C ATOM 1441 O TRP H1044 14.515 -2.660 6.535 1.00 15.62 O ATOM 1442 CB TRP H1044 12.829 -3.482 4.119 1.00 15.28 C ATOM 1443 CG TRP H1044 11.934 -3.297 2.947 1.00 15.08 C ATOM 1444 CD1 TRP H1044 12.145 -2.500 1.861 1.00 15.29 C ATOM 1445 CD2 TRP H1044 10.649 -3.893 2.768 1.00 14.55 C ATOM 1446 NE1 TRP H1044 11.077 -2.584 0.998 1.00 15.41 N ATOM 1447 CE2 TRP H1044 10.148 -3.440 1.530 1.00 15.02 C ATOM 1448 CE3 TRP H1044 9.897 -4.814 3.506 1.00 14.43 C ATOM 1449 CZ2 TRP H1044 8.921 -3.862 1.028 1.00 15.07 C ATOM 1450 CZ3 TRP H1044 8.678 -5.230 3.007 1.00 14.60 C ATOM 1451 CH2 TRP H1044 8.197 -4.748 1.784 1.00 15.15 C ATOM 1452 HE1 TRP H1044 10.989 -2.081 0.092 1.00 0.00 H ATOM 1453 H TRP H1044 13.875 -0.924 4.713 1.00 0.00 H ATOM 1454 N VAL H1045 12.598 -3.397 7.489 1.00 16.35 N ATOM 1455 CA VAL H1045 13.170 -3.731 8.794 1.00 16.69 C ATOM 1456 C VAL H1045 12.772 -5.157 9.158 1.00 16.82 C ATOM 1457 O VAL H1045 11.619 -5.547 8.980 1.00 17.58 O ATOM 1458 CB VAL H1045 12.689 -2.748 9.884 1.00 17.71 C ATOM 1459 CG1 VAL H1045 13.299 -3.092 11.240 1.00 18.70 C ATOM 1460 CG2 VAL H1045 13.019 -1.311 9.487 1.00 18.23 C ATOM 1461 H VAL H1045 11.588 -3.589 7.333 1.00 0.00 H ATOM 1462 N GLN H1046 13.722 -5.918 9.688 1.00 16.20 N ATOM 1463 CA GLN H1046 13.495 -7.311 10.076 1.00 16.28 C ATOM 1464 C GLN H1046 13.355 -7.432 11.584 1.00 16.50 C ATOM 1465 O GLN H1046 14.201 -6.928 12.304 1.00 16.66 O ATOM 1466 CB GLN H1046 14.680 -8.149 9.628 1.00 16.43 C ATOM 1467 CG GLN H1046 14.564 -9.639 9.908 1.00 16.58 C ATOM 1468 CD GLN H1046 15.900 -10.320 9.801 1.00 17.43 C ATOM 1469 OE1 GLN H1046 16.809 -10.021 10.574 1.00 18.94 O ATOM 1470 NE2 GLN H1046 16.037 -11.227 8.849 1.00 17.23 N ATOM 1471 HE22 GLN H1046 15.238 -11.445 8.220 1.00 0.00 H ATOM 1472 HE21 GLN H1046 16.944 -11.722 8.729 1.00 0.00 H ATOM 1473 H GLN H1046 14.666 -5.507 9.834 1.00 0.00 H ATOM 1474 N GLU H1047 12.321 -8.146 12.034 1.00 16.45 N ATOM 1475 CA GLU H1047 12.153 -8.511 13.445 1.00 17.40 C ATOM 1476 C GLU H1047 12.438 -9.995 13.629 1.00 18.61 C ATOM 1477 O GLU H1047 11.716 -10.838 13.103 1.00 18.44 O ATOM 1478 CB GLU H1047 10.732 -8.208 13.914 1.00 17.53 C ATOM 1479 CG GLU H1047 10.523 -8.493 15.402 1.00 18.26 C ATOM 1480 CD GLU H1047 9.083 -8.394 15.868 1.00 19.14 C ATOM 1481 OE1 GLU H1047 8.188 -8.089 15.060 1.00 20.81 O ATOM 1482 OE2 GLU H1047 8.840 -8.601 17.082 1.00 21.05 O ATOM 1483 H GLU H1047 11.600 -8.458 11.352 1.00 0.00 H ATOM 1484 N LYS H1048 13.495 -10.310 14.371 1.00 21.65 N ATOM 1485 CA LYS H1048 13.771 -11.687 14.788 1.00 24.16 C ATOM 1486 C LYS H1048 13.335 -11.888 16.251 1.00 26.91 C ATOM 1487 O LYS H1048 13.001 -10.919 16.948 1.00 25.15 O ATOM 1488 CB LYS H1048 15.258 -11.997 14.602 1.00 26.08 C ATOM 1489 CG LYS H1048 15.674 -12.185 13.145 1.00 27.58 C ATOM 1490 CD LYS H1048 17.055 -12.835 13.031 1.00 29.56 C ATOM 1491 CE LYS H1048 17.537 -12.924 11.587 1.00 31.44 C ATOM 1492 NZ LYS H1048 18.723 -13.806 11.381 1.00 32.65 N ATOM 1493 HZ1 LYS H1048 19.521 -13.449 11.944 1.00 0.00 H ATOM 1494 HZ2 LYS H1048 18.490 -14.774 11.682 1.00 0.00 H ATOM 1495 HZ3 LYS H1048 18.982 -13.808 10.374 1.00 0.00 H ATOM 1496 H LYS H1048 14.147 -9.555 14.665 1.00 0.00 H ATOM 1497 N PRO H1049 13.280 -13.134 16.673 1.00 28.91 N ATOM 1498 CA PRO H1049 12.741 -13.382 17.978 1.00 31.84 C ATOM 1499 C PRO H1049 13.352 -12.545 19.027 1.00 34.27 C ATOM 1500 O PRO H1049 14.485 -12.134 19.046 1.00 35.54 O ATOM 1501 CB PRO H1049 12.954 -14.873 18.187 1.00 31.32 C ATOM 1502 CG PRO H1049 12.903 -15.419 16.831 1.00 30.64 C ATOM 1503 CD PRO H1049 13.447 -14.369 15.907 1.00 30.51 C ATOM 1504 N ASP H1050 12.483 -12.354 19.976 1.00 35.76 N ATOM 1505 CA ASP H1050 12.724 -11.503 21.039 1.00 35.39 C ATOM 1506 C ASP H1050 12.944 -10.098 20.764 1.00 32.42 C ATOM 1507 O ASP H1050 13.793 -9.435 21.319 1.00 31.12 O ATOM 1508 CB ASP H1050 13.445 -11.970 22.226 1.00 37.91 C ATOM 1509 CG ASP H1050 12.740 -11.454 23.421 1.00 41.02 C ATOM 1510 OD1 ASP H1050 11.513 -11.644 23.416 1.00 42.51 O ATOM 1511 OD2 ASP H1050 13.331 -10.734 24.235 1.00 44.66 O ATOM 1512 H ASP H1050 11.575 -12.859 19.934 1.00 0.00 H ATOM 1513 N HIS H1051 12.126 -9.689 19.854 1.00 29.16 N ATOM 1514 CA HIS H1051 11.980 -8.241 19.586 1.00 28.30 C ATOM 1515 C HIS H1051 13.301 -7.608 19.117 1.00 26.75 C ATOM 1516 O HIS H1051 13.687 -6.520 19.562 1.00 25.99 O ATOM 1517 CB HIS H1051 11.406 -7.516 20.816 1.00 28.38 C ATOM 1518 CG HIS H1051 10.057 -8.011 21.235 1.00 28.91 C ATOM 1519 ND1 HIS H1051 8.908 -7.727 20.531 1.00 29.03 N ATOM 1520 CD2 HIS H1051 9.673 -8.771 22.287 1.00 29.30 C ATOM 1521 CE1 HIS H1051 7.874 -8.292 21.129 1.00 28.69 C ATOM 1522 NE2 HIS H1051 8.313 -8.934 22.197 1.00 30.08 N ATOM 1523 H HIS H1051 11.569 -10.377 19.309 1.00 0.00 H ATOM 1524 N LEU H1052 13.986 -8.311 18.219 1.00 24.81 N ATOM 1525 CA LEU H1052 15.307 -7.923 17.730 1.00 25.04 C ATOM 1526 C LEU H1052 15.146 -7.348 16.331 1.00 22.83 C ATOM 1527 O LEU H1052 14.958 -8.100 15.362 1.00 22.60 O ATOM 1528 CB LEU H1052 16.254 -9.132 17.709 1.00 26.61 C ATOM 1529 CG LEU H1052 17.587 -9.017 16.950 1.00 29.10 C ATOM 1530 CD1 LEU H1052 18.364 -7.780 17.377 1.00 30.23 C ATOM 1531 CD2 LEU H1052 18.424 -10.276 17.140 1.00 29.96 C ATOM 1532 H LEU H1052 13.559 -9.183 17.845 1.00 0.00 H ATOM 1533 N PHE H1053 15.238 -6.021 16.232 1.00 20.37 N ATOM 1534 CA PHE H1053 15.042 -5.304 14.972 1.00 19.83 C ATOM 1535 C PHE H1053 16.356 -4.904 14.312 1.00 19.67 C ATOM 1536 O PHE H1053 17.272 -4.420 14.986 1.00 19.64 O ATOM 1537 CB PHE H1053 14.179 -4.068 15.202 1.00 19.24 C ATOM 1538 CG PHE H1053 12.751 -4.389 15.537 1.00 18.99 C ATOM 1539 CD1 PHE H1053 12.364 -4.612 16.857 1.00 19.15 C ATOM 1540 CD2 PHE H1053 11.791 -4.491 14.538 1.00 19.46 C ATOM 1541 CE1 PHE H1053 11.051 -4.924 17.166 1.00 19.90 C ATOM 1542 CE2 PHE H1053 10.472 -4.800 14.849 1.00 19.33 C ATOM 1543 CZ PHE H1053 10.106 -5.012 16.167 1.00 19.28 C ATOM 1544 H PHE H1053 15.459 -5.472 17.088 1.00 0.00 H ATOM 1545 N THR H1054 16.425 -5.109 12.994 1.00 19.10 N ATOM 1546 CA THR H1054 17.570 -4.732 12.163 1.00 19.76 C ATOM 1547 C THR H1054 17.037 -4.111 10.875 1.00 19.61 C ATOM 1548 O THR H1054 16.212 -4.724 10.193 1.00 19.39 O ATOM 1549 CB THR H1054 18.416 -5.973 11.788 1.00 21.39 C ATOM 1550 OG1 THR H1054 18.773 -6.696 12.971 1.00 22.54 O ATOM 1551 CG2 THR H1054 19.679 -5.584 11.022 1.00 22.07 C ATOM 1552 HG1 THR H1054 17.951 -6.990 13.438 1.00 0.00 H ATOM 1553 H THR H1054 15.614 -5.565 12.529 1.00 0.00 H ATOM 1554 N GLY H1055 17.497 -2.906 10.543 1.00 18.27 N ATOM 1555 CA GLY H1055 17.169 -2.275 9.273 1.00 17.98 C ATOM 1556 C GLY H1055 17.900 -2.985 8.151 1.00 17.85 C ATOM 1557 O GLY H1055 19.090 -3.291 8.270 1.00 18.73 O ATOM 1558 H GLY H1055 18.110 -2.399 11.213 1.00 0.00 H ATOM 1559 N LEU H1056 17.183 -3.282 7.077 1.00 17.24 N ATOM 1560 CA LEU H1056 17.756 -3.953 5.910 1.00 17.22 C ATOM 1561 C LEU H1056 17.998 -3.001 4.744 1.00 17.04 C ATOM 1562 O LEU H1056 19.070 -3.027 4.128 1.00 17.54 O ATOM 1563 CB LEU H1056 16.818 -5.061 5.453 1.00 17.95 C ATOM 1564 CG LEU H1056 16.461 -6.120 6.489 1.00 18.48 C ATOM 1565 CD1 LEU H1056 15.428 -7.050 5.879 1.00 18.92 C ATOM 1566 CD2 LEU H1056 17.678 -6.903 6.953 1.00 18.96 C ATOM 1567 H LEU H1056 16.174 -3.028 7.063 1.00 0.00 H ATOM 1568 N ILE H1057 16.982 -2.192 4.440 1.00 17.23 N ATOM 1569 CA ILE H1057 16.961 -1.326 3.266 1.00 17.10 C ATOM 1570 C ILE H1057 16.418 0.032 3.691 1.00 17.19 C ATOM 1571 O ILE H1057 15.468 0.087 4.449 1.00 17.46 O ATOM 1572 CB ILE H1057 16.004 -1.881 2.177 1.00 18.09 C ATOM 1573 CG1 ILE H1057 16.405 -3.288 1.709 1.00 18.72 C ATOM 1574 CG2 ILE H1057 15.900 -0.920 0.996 1.00 18.53 C ATOM 1575 CD1 ILE H1057 17.721 -3.359 0.961 1.00 19.47 C ATOM 1576 H ILE H1057 16.159 -2.178 5.075 1.00 0.00 H ATOM 1577 N GLY H1058 17.015 1.111 3.185 1.00 17.09 N ATOM 1578 CA GLY H1058 16.429 2.447 3.258 1.00 18.07 C ATOM 1579 C GLY H1058 16.520 3.138 1.919 1.00 18.45 C ATOM 1580 O GLY H1058 17.154 2.636 0.994 1.00 18.92 O ATOM 1581 H GLY H1058 17.937 0.997 2.718 1.00 0.00 H ATOM 1582 N GLY H1059 15.856 4.284 1.798 1.00 18.24 N ATOM 1583 CA GLY H1059 15.841 5.028 0.542 1.00 18.68 C ATOM 1584 C GLY H1059 15.503 4.161 -0.658 1.00 18.92 C ATOM 1585 O GLY H1059 16.191 4.223 -1.683 1.00 19.06 O ATOM 1586 H GLY H1059 15.336 4.659 2.617 1.00 0.00 H ATOM 1587 N THR H1060 14.457 3.343 -0.509 1.00 18.88 N ATOM 1588 CA THR H1060 13.954 2.410 -1.539 1.00 19.18 C ATOM 1589 C THR H1060 14.816 1.164 -1.772 1.00 18.96 C ATOM 1590 O THR H1060 14.306 0.041 -1.708 1.00 18.82 O ATOM 1591 CB THR H1060 13.696 3.091 -2.903 1.00 19.46 C ATOM 1592 OG1 THR H1060 12.899 4.266 -2.713 1.00 20.08 O ATOM 1593 CG2 THR H1060 12.959 2.142 -3.855 1.00 19.65 C ATOM 1594 HG1 THR H1060 13.377 4.895 -2.117 1.00 0.00 H ATOM 1595 H THR H1060 13.958 3.365 0.403 1.00 0.00 H ATOM 1596 N ASN H1061 16.105 1.357 -2.062 1.00 19.39 N ATOM 1597 CA ASN H1061 16.979 0.255 -2.485 1.00 20.22 C ATOM 1598 C ASN H1061 18.420 0.297 -1.960 1.00 20.73 C ATOM 1599 O ASN H1061 19.284 -0.398 -2.487 1.00 21.20 O ATOM 1600 CB ASN H1061 16.971 0.157 -4.025 1.00 20.99 C ATOM 1601 CG ASN H1061 17.453 1.424 -4.713 1.00 21.68 C ATOM 1602 OD1 ASN H1061 17.991 2.341 -4.090 1.00 22.36 O ATOM 1603 ND2 ASN H1061 17.264 1.470 -6.029 1.00 24.53 N ATOM 1604 HD22 ASN H1061 16.806 0.674 -6.517 1.00 0.00 H ATOM 1605 HD21 ASN H1061 17.575 2.302 -6.570 1.00 0.00 H ATOM 1606 H ASN H1061 16.502 2.315 -1.986 1.00 0.00 H ATOM 1607 N ASN H1062 18.669 1.069 -0.906 1.00 20.91 N ATOM 1608 CA ASN H1062 20.014 1.176 -0.345 1.00 22.65 C ATOM 1609 C ASN H1062 20.149 0.194 0.809 1.00 22.87 C ATOM 1610 O ASN H1062 19.474 0.331 1.826 1.00 22.26 O ATOM 1611 CB ASN H1062 20.300 2.613 0.100 1.00 24.08 C ATOM 1612 CG ASN H1062 20.363 3.571 -1.075 1.00 27.33 C ATOM 1613 OD1 ASN H1062 21.227 3.437 -1.947 1.00 31.18 O ATOM 1614 ND2 ASN H1062 19.439 4.527 -1.122 1.00 30.40 N ATOM 1615 HD22 ASN H1062 18.730 4.603 -0.365 1.00 0.00 H ATOM 1616 HD21 ASN H1062 19.426 5.199 -1.916 1.00 0.00 H ATOM 1617 H ASN H1062 17.891 1.607 -0.473 1.00 0.00 H ATOM 1618 N ARG H1063 21.019 -0.799 0.642 1.00 24.71 N ATOM 1619 CA ARG H1063 21.234 -1.834 1.655 1.00 26.54 C ATOM 1620 C ARG H1063 22.017 -1.223 2.823 1.00 27.57 C ATOM 1621 O ARG H1063 23.033 -0.569 2.599 1.00 28.11 O ATOM 1622 CB ARG H1063 21.995 -3.031 1.045 1.00 28.51 C ATOM 1623 CG ARG H1063 21.333 -4.379 1.263 1.00 30.20 C ATOM 1624 CD ARG H1063 22.228 -5.558 0.896 1.00 31.02 C ATOM 1625 NE ARG H1063 23.107 -5.300 -0.242 1.00 33.34 N ATOM 1626 CZ ARG H1063 22.746 -5.284 -1.528 1.00 34.65 C ATOM 1627 NH1 ARG H1063 21.488 -5.515 -1.915 1.00 36.49 N ATOM 1628 NH2 ARG H1063 23.667 -5.017 -2.451 1.00 36.08 N ATOM 1629 HE ARG H1063 24.108 -5.111 -0.031 1.00 0.00 H ATOM 1630 HH12 ARG H1063 21.243 -5.495 -2.925 1.00 0.00 H ATOM 1631 HH11 ARG H1063 20.754 -5.715 -1.206 1.00 0.00 H ATOM 1632 HH22 ARG H1063 23.405 -5.000 -3.457 1.00 0.00 H ATOM 1633 HH21 ARG H1063 24.649 -4.825 -2.166 1.00 0.00 H ATOM 1634 H ARG H1063 21.567 -0.841 -0.241 1.00 0.00 H ATOM 1635 N ALA H1064 21.543 -1.428 4.053 1.00 27.97 N ATOM 1636 CA ALA H1064 22.230 -0.907 5.250 1.00 29.47 C ATOM 1637 C ALA H1064 23.577 -1.622 5.451 1.00 30.37 C ATOM 1638 O ALA H1064 23.754 -2.747 4.977 1.00 27.96 O ATOM 1639 CB ALA H1064 21.344 -1.056 6.481 1.00 29.96 C ATOM 1640 H ALA H1064 20.664 -1.971 4.171 1.00 0.00 H ATOM 1641 N PRO H1065 24.540 -0.974 6.142 1.00 32.43 N ATOM 1642 CA PRO H1065 25.866 -1.604 6.243 1.00 32.17 C ATOM 1643 C PRO H1065 25.829 -2.959 6.952 1.00 30.81 C ATOM 1644 O PRO H1065 25.114 -3.118 7.941 1.00 31.44 O ATOM 1645 CB PRO H1065 26.684 -0.584 7.050 1.00 33.28 C ATOM 1646 CG PRO H1065 25.667 0.209 7.798 1.00 33.51 C ATOM 1647 CD PRO H1065 24.487 0.302 6.879 1.00 33.93 C ATOM 1648 N GLY H1066 26.561 -3.928 6.408 1.00 29.92 N ATOM 1649 CA GLY H1066 26.613 -5.283 6.956 1.00 28.28 C ATOM 1650 C GLY H1066 25.428 -6.185 6.627 1.00 26.22 C ATOM 1651 O GLY H1066 25.431 -7.358 7.018 1.00 27.74 O ATOM 1652 H GLY H1066 27.120 -3.713 5.558 1.00 0.00 H ATOM 1653 N VAL H1067 24.422 -5.658 5.920 1.00 24.01 N ATOM 1654 CA VAL H1067 23.243 -6.443 5.549 1.00 22.08 C ATOM 1655 C VAL H1067 23.613 -7.385 4.402 1.00 20.27 C ATOM 1656 O VAL H1067 24.281 -6.966 3.450 1.00 19.92 O ATOM 1657 CB VAL H1067 22.052 -5.543 5.160 1.00 21.57 C ATOM 1658 CG1 VAL H1067 20.888 -6.345 4.579 1.00 21.15 C ATOM 1659 CG2 VAL H1067 21.592 -4.767 6.381 1.00 22.30 C ATOM 1660 H VAL H1067 24.479 -4.662 5.625 1.00 0.00 H ATOM 1661 N PRO H1068 23.191 -8.659 4.497 1.00 19.31 N ATOM 1662 CA PRO H1068 23.535 -9.623 3.464 1.00 18.96 C ATOM 1663 C PRO H1068 23.057 -9.267 2.056 1.00 18.28 C ATOM 1664 O PRO H1068 21.971 -8.724 1.894 1.00 17.44 O ATOM 1665 CB PRO H1068 22.847 -10.902 3.955 1.00 19.49 C ATOM 1666 CG PRO H1068 22.876 -10.772 5.429 1.00 19.93 C ATOM 1667 CD PRO H1068 22.559 -9.333 5.650 1.00 19.87 C ATOM 1668 N ALA H1069 23.864 -9.598 1.056 1.00 17.93 N ATOM 1669 CA ALA H1069 23.594 -9.288 -0.337 1.00 17.59 C ATOM 1670 C ALA H1069 22.346 -9.942 -0.906 1.00 17.16 C ATOM 1671 O ALA H1069 21.821 -9.451 -1.896 1.00 17.70 O ATOM 1672 CB ALA H1069 24.792 -9.648 -1.203 1.00 18.50 C ATOM 1673 H ALA H1069 24.741 -10.109 1.283 1.00 0.00 H ATOM 1674 N ARG H1070 21.881 -11.038 -0.298 1.00 16.17 N ATOM 1675 CA ARG H1070 20.625 -11.668 -0.743 1.00 15.54 C ATOM 1676 C ARG H1070 19.394 -10.782 -0.573 1.00 15.73 C ATOM 1677 O ARG H1070 18.374 -11.059 -1.201 1.00 15.67 O ATOM 1678 CB ARG H1070 20.391 -13.015 -0.056 1.00 15.60 C ATOM 1679 CG ARG H1070 20.124 -12.978 1.442 1.00 15.71 C ATOM 1680 CD ARG H1070 20.036 -14.393 1.977 1.00 15.92 C ATOM 1681 NE ARG H1070 19.854 -14.455 3.421 1.00 16.39 N ATOM 1682 CZ ARG H1070 20.831 -14.326 4.322 1.00 16.53 C ATOM 1683 NH1 ARG H1070 22.088 -14.120 3.938 1.00 17.40 N ATOM 1684 NH2 ARG H1070 20.552 -14.401 5.615 1.00 17.50 N ATOM 1685 HE ARG H1070 18.890 -14.612 3.777 1.00 0.00 H ATOM 1686 HH12 ARG H1070 22.840 -14.021 4.650 1.00 0.00 H ATOM 1687 HH11 ARG H1070 22.319 -14.058 2.926 1.00 0.00 H ATOM 1688 HH22 ARG H1070 21.312 -14.301 6.318 1.00 0.00 H ATOM 1689 HH21 ARG H1070 19.573 -14.560 5.927 1.00 0.00 H ATOM 1690 H ARG H1070 22.411 -11.450 0.497 1.00 0.00 H ATOM 1691 N PHE H1071 19.476 -9.745 0.262 1.00 15.84 N ATOM 1692 CA PHE H1071 18.378 -8.786 0.430 1.00 15.95 C ATOM 1693 C PHE H1071 18.505 -7.628 -0.550 1.00 16.30 C ATOM 1694 O PHE H1071 19.575 -7.024 -0.668 1.00 17.02 O ATOM 1695 CB PHE H1071 18.351 -8.221 1.857 1.00 16.04 C ATOM 1696 CG PHE H1071 18.082 -9.247 2.907 1.00 16.42 C ATOM 1697 CD1 PHE H1071 16.783 -9.659 3.170 1.00 16.61 C ATOM 1698 CD2 PHE H1071 19.121 -9.807 3.653 1.00 17.21 C ATOM 1699 CE1 PHE H1071 16.525 -10.622 4.137 1.00 16.75 C ATOM 1700 CE2 PHE H1071 18.863 -10.768 4.621 1.00 17.05 C ATOM 1701 CZ PHE H1071 17.561 -11.175 4.862 1.00 17.26 C ATOM 1702 H PHE H1071 20.348 -9.612 0.813 1.00 0.00 H ATOM 1703 N SER H1072 17.418 -7.303 -1.242 1.00 16.14 N ATOM 1704 CA SER H1072 17.404 -6.132 -2.107 1.00 16.69 C ATOM 1705 C SER H1072 16.052 -5.445 -2.099 1.00 16.21 C ATOM 1706 O SER H1072 15.014 -6.092 -1.932 1.00 17.27 O ATOM 1707 CB SER H1072 17.814 -6.480 -3.534 1.00 17.50 C ATOM 1708 OG SER H1072 16.893 -7.357 -4.131 1.00 18.95 O ATOM 1709 HG SER H1072 16.846 -8.194 -3.604 1.00 0.00 H ATOM 1710 H SER H1072 16.565 -7.893 -1.165 1.00 0.00 H ATOM 1711 N GLY H1073 16.080 -4.130 -2.287 1.00 16.87 N ATOM 1712 CA GLY H1073 14.867 -3.314 -2.332 1.00 17.12 C ATOM 1713 C GLY H1073 14.578 -2.836 -3.734 1.00 17.51 C ATOM 1714 O GLY H1073 15.501 -2.565 -4.508 1.00 19.24 O ATOM 1715 H GLY H1073 17.001 -3.662 -2.407 1.00 0.00 H ATOM 1716 N SER H1074 13.293 -2.721 -4.056 1.00 17.90 N ATOM 1717 CA SER H1074 12.849 -2.271 -5.369 1.00 18.44 C ATOM 1718 C SER H1074 11.492 -1.581 -5.304 1.00 18.34 C ATOM 1719 O SER H1074 10.847 -1.549 -4.253 1.00 17.53 O ATOM 1720 CB SER H1074 12.778 -3.454 -6.344 1.00 20.01 C ATOM 1721 OG SER H1074 11.801 -4.390 -5.972 1.00 23.04 O ATOM 1722 HG SER H1074 12.011 -4.745 -5.072 1.00 0.00 H ATOM 1723 H SER H1074 12.576 -2.962 -3.342 1.00 0.00 H ATOM 1724 N LEU H1075 11.107 -0.993 -6.436 1.00 18.36 N ATOM 1725 CA LEU H1075 9.725 -0.604 -6.697 1.00 19.16 C ATOM 1726 C LEU H1075 9.237 -1.505 -7.815 1.00 19.36 C ATOM 1727 O LEU H1075 9.905 -1.617 -8.840 1.00 19.73 O ATOM 1728 CB LEU H1075 9.644 0.851 -7.142 1.00 19.79 C ATOM 1729 CG LEU H1075 10.104 1.894 -6.135 1.00 20.70 C ATOM 1730 CD1 LEU H1075 10.047 3.289 -6.752 1.00 21.12 C ATOM 1731 CD2 LEU H1075 9.263 1.830 -4.867 1.00 21.34 C ATOM 1732 H LEU H1075 11.823 -0.803 -7.166 1.00 0.00 H ATOM 1733 N ILE H1076 8.102 -2.166 -7.612 1.00 19.88 N ATOM 1734 CA ILE H1076 7.526 -3.076 -8.613 1.00 21.27 C ATOM 1735 C ILE H1076 6.031 -2.839 -8.630 1.00 21.94 C ATOM 1736 O ILE H1076 5.385 -2.925 -7.590 1.00 21.63 O ATOM 1737 CB ILE H1076 7.796 -4.563 -8.284 1.00 22.86 C ATOM 1738 CG1 ILE H1076 9.293 -4.811 -8.059 1.00 23.85 C ATOM 1739 CG2 ILE H1076 7.273 -5.471 -9.399 1.00 23.09 C ATOM 1740 CD1 ILE H1076 9.640 -6.221 -7.619 1.00 25.09 C ATOM 1741 H ILE H1076 7.602 -2.034 -6.710 1.00 0.00 H ATOM 1742 N GLY H1077 5.500 -2.507 -9.793 1.00 22.20 N ATOM 1743 CA GLY H1077 4.079 -2.235 -9.950 1.00 24.84 C ATOM 1744 C GLY H1077 3.499 -1.265 -8.949 1.00 26.46 C ATOM 1745 O GLY H1077 2.537 -1.566 -8.326 1.00 30.28 O ATOM 1746 H GLY H1077 6.119 -2.438 -10.626 1.00 0.00 H ATOM 1747 N ASP H1078 4.100 -0.119 -8.791 1.00 28.47 N ATOM 1748 CA ASP H1078 3.610 0.876 -7.814 1.00 28.54 C ATOM 1749 C ASP H1078 3.571 0.528 -6.301 1.00 24.81 C ATOM 1750 O ASP H1078 2.938 1.160 -5.536 1.00 22.51 O ATOM 1751 CB ASP H1078 2.327 1.601 -8.266 1.00 31.87 C ATOM 1752 CG ASP H1078 2.422 2.129 -9.667 1.00 35.24 C ATOM 1753 OD1 ASP H1078 1.390 2.072 -10.309 1.00 38.47 O ATOM 1754 OD2 ASP H1078 3.490 2.592 -10.077 1.00 39.03 O ATOM 1755 H ASP H1078 4.940 0.099 -9.363 1.00 0.00 H ATOM 1756 N LYS H1079 4.329 -0.469 -5.929 1.00 22.13 N ATOM 1757 CA LYS H1079 4.515 -0.854 -4.563 1.00 20.77 C ATOM 1758 C LYS H1079 6.006 -0.936 -4.317 1.00 19.39 C ATOM 1759 O LYS H1079 6.766 -1.059 -5.190 1.00 20.59 O ATOM 1760 CB LYS H1079 3.922 -2.215 -4.278 1.00 21.08 C ATOM 1761 CG LYS H1079 2.424 -2.311 -4.458 1.00 22.07 C ATOM 1762 CD LYS H1079 1.869 -3.636 -3.968 1.00 23.23 C ATOM 1763 CE LYS H1079 2.203 -4.779 -4.884 1.00 24.53 C ATOM 1764 NZ LYS H1079 1.653 -6.067 -4.435 1.00 25.78 N ATOM 1765 HZ1 LYS H1079 2.035 -6.297 -3.495 1.00 0.00 H ATOM 1766 HZ2 LYS H1079 0.616 -6.001 -4.382 1.00 0.00 H ATOM 1767 HZ3 LYS H1079 1.920 -6.811 -5.111 1.00 0.00 H ATOM 1768 H LYS H1079 4.824 -1.012 -6.665 1.00 0.00 H ATOM 1769 N ALA H1080 6.390 -0.762 -3.090 1.00 17.27 N ATOM 1770 CA ALA H1080 7.762 -1.074 -2.684 1.00 16.78 C ATOM 1771 C ALA H1080 7.868 -2.574 -2.469 1.00 16.41 C ATOM 1772 O ALA H1080 6.886 -3.240 -2.143 1.00 16.14 O ATOM 1773 CB ALA H1080 8.158 -0.319 -1.427 1.00 17.00 C ATOM 1774 H ALA H1080 5.716 -0.397 -2.387 1.00 0.00 H ATOM 1775 N ALA H1081 9.072 -3.102 -2.657 1.00 15.85 N ATOM 1776 CA ALA H1081 9.295 -4.538 -2.604 1.00 16.37 C ATOM 1777 C ALA H1081 10.637 -4.888 -1.992 1.00 16.02 C ATOM 1778 O ALA H1081 11.626 -4.212 -2.246 1.00 17.24 O ATOM 1779 CB ALA H1081 9.199 -5.119 -4.005 1.00 16.78 C ATOM 1780 H ALA H1081 9.877 -2.472 -2.847 1.00 0.00 H ATOM 1781 N LEU H1082 10.650 -5.946 -1.188 1.00 15.24 N ATOM 1782 CA LEU H1082 11.882 -6.544 -0.664 1.00 15.51 C ATOM 1783 C LEU H1082 11.998 -7.950 -1.225 1.00 15.60 C ATOM 1784 O LEU H1082 11.095 -8.745 -1.073 1.00 15.95 O ATOM 1785 CB LEU H1082 11.847 -6.607 0.865 1.00 15.48 C ATOM 1786 CG LEU H1082 13.005 -7.331 1.566 1.00 15.73 C ATOM 1787 CD1 LEU H1082 14.264 -6.482 1.507 1.00 16.01 C ATOM 1788 CD2 LEU H1082 12.633 -7.668 3.001 1.00 16.24 C ATOM 1789 H LEU H1082 9.741 -6.371 -0.917 1.00 0.00 H ATOM 1790 N THR H1083 13.131 -8.261 -1.847 1.00 15.38 N ATOM 1791 CA THR H1083 13.374 -9.568 -2.449 1.00 15.74 C ATOM 1792 C THR H1083 14.517 -10.228 -1.700 1.00 15.67 C ATOM 1793 O THR H1083 15.537 -9.589 -1.433 1.00 15.76 O ATOM 1794 CB THR H1083 13.709 -9.430 -3.952 1.00 16.39 C ATOM 1795 OG1 THR H1083 12.589 -8.848 -4.625 1.00 17.71 O ATOM 1796 CG2 THR H1083 14.004 -10.786 -4.596 1.00 16.90 C ATOM 1797 HG1 THR H1083 11.797 -9.431 -4.510 1.00 0.00 H ATOM 1798 H THR H1083 13.878 -7.540 -1.907 1.00 0.00 H ATOM 1799 N ILE H1084 14.316 -11.483 -1.311 1.00 15.68 N ATOM 1800 CA ILE H1084 15.381 -12.319 -0.796 1.00 15.99 C ATOM 1801 C ILE H1084 15.689 -13.308 -1.910 1.00 16.11 C ATOM 1802 O ILE H1084 14.851 -14.148 -2.231 1.00 16.10 O ATOM 1803 CB ILE H1084 14.998 -13.068 0.498 1.00 16.34 C ATOM 1804 CG1 ILE H1084 14.369 -12.110 1.516 1.00 17.00 C ATOM 1805 CG2 ILE H1084 16.231 -13.730 1.105 1.00 16.94 C ATOM 1806 CD1 ILE H1084 13.884 -12.783 2.786 1.00 17.59 C ATOM 1807 H ILE H1084 13.357 -11.880 -1.379 1.00 0.00 H ATOM 1808 N THR H1085 16.868 -13.182 -2.513 1.00 16.38 N ATOM 1809 CA THR H1085 17.278 -14.036 -3.628 1.00 17.00 C ATOM 1810 C THR H1085 18.098 -15.193 -3.059 1.00 16.94 C ATOM 1811 O THR H1085 19.307 -15.072 -2.832 1.00 17.31 O ATOM 1812 CB THR H1085 18.050 -13.239 -4.693 1.00 17.23 C ATOM 1813 OG1 THR H1085 17.229 -12.151 -5.142 1.00 17.75 O ATOM 1814 CG2 THR H1085 18.412 -14.126 -5.893 1.00 17.29 C ATOM 1815 HG1 THR H1085 17.012 -11.564 -4.375 1.00 0.00 H ATOM 1816 H THR H1085 17.524 -12.448 -2.179 1.00 0.00 H ATOM 1817 N GLY H1086 17.416 -16.298 -2.784 1.00 16.47 N ATOM 1818 CA GLY H1086 18.005 -17.467 -2.152 1.00 17.03 C ATOM 1819 C GLY H1086 17.716 -17.355 -0.677 1.00 17.26 C ATOM 1820 O GLY H1086 18.573 -16.933 0.148 1.00 20.80 O ATOM 1821 H GLY H1086 16.407 -16.329 -3.034 1.00 0.00 H ATOM 1822 N ALA H1087 16.481 -17.678 -0.294 1.00 17.35 N ATOM 1823 CA ALA H1087 16.097 -17.529 1.115 1.00 16.44 C ATOM 1824 C ALA H1087 16.871 -18.524 1.977 1.00 16.47 C ATOM 1825 O ALA H1087 17.205 -19.610 1.510 1.00 17.07 O ATOM 1826 CB ALA H1087 14.597 -17.736 1.297 1.00 16.77 C ATOM 1827 H ALA H1087 15.794 -18.033 -0.989 1.00 0.00 H ATOM 1828 N GLN H1088 17.171 -18.147 3.218 1.00 16.84 N ATOM 1829 CA GLN H1088 17.891 -19.027 4.148 1.00 17.46 C ATOM 1830 C GLN H1088 17.036 -19.267 5.381 1.00 18.20 C ATOM 1831 O GLN H1088 16.160 -18.459 5.704 1.00 17.91 O ATOM 1832 CB GLN H1088 19.258 -18.420 4.499 1.00 17.40 C ATOM 1833 CG GLN H1088 20.108 -18.282 3.241 1.00 17.31 C ATOM 1834 CD GLN H1088 21.487 -17.667 3.406 1.00 17.38 C ATOM 1835 OE1 GLN H1088 22.114 -17.342 2.404 1.00 17.26 O ATOM 1836 NE2 GLN H1088 21.966 -17.527 4.635 1.00 18.17 N ATOM 1837 HE22 GLN H1088 21.393 -17.819 5.453 1.00 0.00 H ATOM 1838 HE21 GLN H1088 22.914 -17.126 4.781 1.00 0.00 H ATOM 1839 H GLN H1088 16.887 -17.200 3.539 1.00 0.00 H ATOM 1840 N THR H1089 17.270 -20.381 6.070 1.00 19.20 N ATOM 1841 CA THR H1089 16.431 -20.754 7.216 1.00 21.10 C ATOM 1842 C THR H1089 16.336 -19.648 8.261 1.00 20.73 C ATOM 1843 O THR H1089 15.252 -19.375 8.786 1.00 21.36 O ATOM 1844 CB THR H1089 16.924 -22.044 7.895 1.00 22.84 C ATOM 1845 OG1 THR H1089 18.279 -21.877 8.333 1.00 27.80 O ATOM 1846 CG2 THR H1089 16.843 -23.201 6.947 1.00 23.28 C ATOM 1847 HG1 THR H1089 18.589 -22.710 8.768 1.00 0.00 H ATOM 1848 H THR H1089 18.060 -20.998 5.792 1.00 0.00 H ATOM 1849 N GLU H1090 17.463 -18.981 8.512 1.00 20.96 N ATOM 1850 CA GLU H1090 17.523 -17.859 9.466 1.00 21.70 C ATOM 1851 C GLU H1090 16.754 -16.597 9.049 1.00 20.24 C ATOM 1852 O GLU H1090 16.633 -15.663 9.845 1.00 21.06 O ATOM 1853 CB GLU H1090 18.975 -17.470 9.782 1.00 23.41 C ATOM 1854 CG GLU H1090 19.789 -16.976 8.598 1.00 24.35 C ATOM 1855 CD GLU H1090 20.626 -18.063 7.947 1.00 25.97 C ATOM 1856 OE1 GLU H1090 20.183 -19.240 7.892 1.00 27.35 O ATOM 1857 OE2 GLU H1090 21.723 -17.730 7.471 1.00 27.02 O ATOM 1858 H GLU H1090 18.332 -19.263 8.016 1.00 0.00 H ATOM 1859 N ASP H1091 16.275 -16.553 7.804 1.00 18.70 N ATOM 1860 CA ASP H1091 15.451 -15.438 7.329 1.00 17.98 C ATOM 1861 C ASP H1091 13.993 -15.558 7.758 1.00 17.53 C ATOM 1862 O ASP H1091 13.214 -14.642 7.521 1.00 16.96 O ATOM 1863 CB ASP H1091 15.563 -15.298 5.805 1.00 17.41 C ATOM 1864 CG ASP H1091 16.996 -15.078 5.341 1.00 17.73 C ATOM 1865 OD1 ASP H1091 17.796 -14.543 6.141 1.00 18.19 O ATOM 1866 OD2 ASP H1091 17.315 -15.433 4.182 1.00 16.20 O ATOM 1867 H ASP H1091 16.493 -17.333 7.152 1.00 0.00 H ATOM 1868 N GLU H1092 13.617 -16.665 8.402 1.00 18.08 N ATOM 1869 CA GLU H1092 12.297 -16.762 9.022 1.00 18.79 C ATOM 1870 C GLU H1092 12.195 -15.665 10.087 1.00 18.11 C ATOM 1871 O GLU H1092 12.966 -15.654 11.043 1.00 19.80 O ATOM 1872 CB GLU H1092 12.052 -18.157 9.616 1.00 19.34 C ATOM 1873 CG GLU H1092 10.668 -18.322 10.245 1.00 20.78 C ATOM 1874 CD GLU H1092 10.164 -19.757 10.328 1.00 22.06 C ATOM 1875 OE1 GLU H1092 10.332 -20.538 9.369 1.00 23.13 O ATOM 1876 OE2 GLU H1092 9.543 -20.096 11.366 1.00 25.62 O ATOM 1877 H GLU H1092 14.273 -17.470 8.463 1.00 0.00 H ATOM 1878 N ALA H1093 11.267 -14.732 9.887 1.00 17.70 N ATOM 1879 CA ALA H1093 11.197 -13.501 10.667 1.00 17.21 C ATOM 1880 C ALA H1093 9.969 -12.705 10.235 1.00 17.11 C ATOM 1881 O ALA H1093 9.275 -13.101 9.293 1.00 17.08 O ATOM 1882 CB ALA H1093 12.464 -12.679 10.457 1.00 17.93 C ATOM 1883 H ALA H1093 10.560 -14.888 9.141 1.00 0.00 H ATOM 1884 N ILE H1094 9.715 -11.582 10.904 1.00 17.10 N ATOM 1885 CA ILE H1094 8.667 -10.653 10.493 1.00 17.41 C ATOM 1886 C ILE H1094 9.350 -9.461 9.821 1.00 16.84 C ATOM 1887 O ILE H1094 10.349 -8.942 10.331 1.00 18.13 O ATOM 1888 CB ILE H1094 7.771 -10.228 11.676 1.00 18.14 C ATOM 1889 CG1 ILE H1094 7.110 -11.474 12.300 1.00 19.49 C ATOM 1890 CG2 ILE H1094 6.702 -9.245 11.206 1.00 18.47 C ATOM 1891 CD1 ILE H1094 6.381 -11.236 13.602 1.00 20.26 C ATOM 1892 H ILE H1094 10.282 -11.360 11.747 1.00 0.00 H ATOM 1893 N TYR H1095 8.850 -9.054 8.659 1.00 15.82 N ATOM 1894 CA TYR H1095 9.453 -7.974 7.884 1.00 15.98 C ATOM 1895 C TYR H1095 8.483 -6.811 7.797 1.00 16.19 C ATOM 1896 O TYR H1095 7.357 -6.983 7.337 1.00 16.84 O ATOM 1897 CB TYR H1095 9.830 -8.455 6.482 1.00 15.55 C ATOM 1898 CG TYR H1095 10.931 -9.480 6.517 1.00 15.36 C ATOM 1899 CD1 TYR H1095 10.653 -10.828 6.749 1.00 15.38 C ATOM 1900 CD2 TYR H1095 12.255 -9.098 6.396 1.00 15.59 C ATOM 1901 CE1 TYR H1095 11.664 -11.766 6.826 1.00 15.08 C ATOM 1902 CE2 TYR H1095 13.272 -10.027 6.475 1.00 15.25 C ATOM 1903 CZ TYR H1095 12.980 -11.352 6.685 1.00 15.42 C ATOM 1904 OH TYR H1095 14.023 -12.250 6.759 1.00 16.15 O ATOM 1905 HH TYR H1095 13.664 -13.160 6.912 1.00 0.00 H ATOM 1906 H TYR H1095 7.998 -9.522 8.288 1.00 0.00 H ATOM 1907 N PHE H1096 8.912 -5.638 8.257 1.00 16.25 N ATOM 1908 CA PHE H1096 8.088 -4.432 8.197 1.00 16.42 C ATOM 1909 C PHE H1096 8.616 -3.479 7.149 1.00 16.53 C ATOM 1910 O PHE H1096 9.833 -3.306 7.018 1.00 17.04 O ATOM 1911 CB PHE H1096 8.104 -3.702 9.543 1.00 16.78 C ATOM 1912 CG PHE H1096 7.395 -4.434 10.639 1.00 16.97 C ATOM 1913 CD1 PHE H1096 8.077 -5.322 11.466 1.00 17.51 C ATOM 1914 CD2 PHE H1096 6.042 -4.219 10.864 1.00 17.47 C ATOM 1915 CE1 PHE H1096 7.420 -5.984 12.480 1.00 17.61 C ATOM 1916 CE2 PHE H1096 5.376 -4.885 11.876 1.00 17.81 C ATOM 1917 CZ PHE H1096 6.063 -5.767 12.684 1.00 17.40 C ATOM 1918 H PHE H1096 9.864 -5.578 8.672 1.00 0.00 H ATOM 1919 N CYS H1097 7.712 -2.825 6.431 1.00 16.50 N ATOM 1920 CA CYS H1097 8.081 -1.690 5.604 1.00 17.56 C ATOM 1921 C CYS H1097 7.626 -0.400 6.274 1.00 17.01 C ATOM 1922 O CYS H1097 6.688 -0.402 7.078 1.00 17.65 O ATOM 1923 CB CYS H1097 7.508 -1.813 4.192 1.00 18.12 C ATOM 1924 SG CYS H1097 5.737 -1.572 4.085 1.00 20.11 S ATOM 1925 H CYS H1097 6.719 -3.132 6.461 1.00 0.00 H ATOM 1926 N ALA H1098 8.312 0.691 5.959 1.00 16.89 N ATOM 1927 CA ALA H1098 7.906 2.025 6.383 1.00 17.03 C ATOM 1928 C ALA H1098 8.012 2.978 5.209 1.00 17.12 C ATOM 1929 O ALA H1098 9.000 2.936 4.463 1.00 17.93 O ATOM 1930 CB ALA H1098 8.762 2.509 7.544 1.00 17.32 C ATOM 1931 H ALA H1098 9.174 0.590 5.386 1.00 0.00 H ATOM 1932 N LEU H1099 6.987 3.812 5.047 1.00 17.16 N ATOM 1933 CA LEU H1099 6.926 4.797 3.965 1.00 18.07 C ATOM 1934 C LEU H1099 6.839 6.212 4.532 1.00 18.42 C ATOM 1935 O LEU H1099 6.189 6.439 5.555 1.00 18.17 O ATOM 1936 CB LEU H1099 5.733 4.525 3.049 1.00 18.27 C ATOM 1937 CG LEU H1099 5.686 3.163 2.348 1.00 18.29 C ATOM 1938 CD1 LEU H1099 4.432 3.040 1.485 1.00 18.65 C ATOM 1939 CD2 LEU H1099 6.944 2.909 1.519 1.00 18.37 C ATOM 1940 H LEU H1099 6.195 3.762 5.719 1.00 0.00 H ATOM 1941 N TRP H1100 7.499 7.145 3.848 1.00 19.68 N ATOM 1942 CA TRP H1100 7.628 8.536 4.283 1.00 21.72 C ATOM 1943 C TRP H1100 6.631 9.387 3.515 1.00 22.14 C ATOM 1944 O TRP H1100 6.564 9.300 2.291 1.00 22.06 O ATOM 1945 CB TRP H1100 9.055 9.015 4.024 1.00 22.90 C ATOM 1946 CG TRP H1100 9.311 10.485 4.231 1.00 24.02 C ATOM 1947 CD1 TRP H1100 9.390 11.450 3.262 1.00 25.50 C ATOM 1948 CD2 TRP H1100 9.563 11.144 5.474 1.00 25.65 C ATOM 1949 NE1 TRP H1100 9.678 12.669 3.831 1.00 26.17 N ATOM 1950 CE2 TRP H1100 9.786 12.511 5.187 1.00 25.51 C ATOM 1951 CE3 TRP H1100 9.625 10.715 6.801 1.00 25.32 C ATOM 1952 CZ2 TRP H1100 10.060 13.453 6.188 1.00 26.42 C ATOM 1953 CZ3 TRP H1100 9.898 11.650 7.799 1.00 25.97 C ATOM 1954 CH2 TRP H1100 10.113 13.005 7.484 1.00 26.23 C ATOM 1955 HE1 TRP H1100 9.795 13.565 3.315 1.00 0.00 H ATOM 1956 H TRP H1100 7.949 6.869 2.952 1.00 0.00 H ATOM 1957 N TYR H1101 5.873 10.217 4.234 1.00 24.26 N ATOM 1958 CA TYR H1101 4.888 11.108 3.616 1.00 26.41 C ATOM 1959 C TYR H1101 5.150 12.550 4.029 1.00 29.13 C ATOM 1960 O TYR H1101 4.535 13.057 4.967 1.00 30.65 O ATOM 1961 CB TYR H1101 3.479 10.678 4.006 1.00 26.47 C ATOM 1962 CG TYR H1101 3.126 9.285 3.548 1.00 26.66 C ATOM 1963 CD1 TYR H1101 2.572 9.060 2.291 1.00 26.74 C ATOM 1964 CD2 TYR H1101 3.351 8.187 4.375 1.00 26.46 C ATOM 1965 CE1 TYR H1101 2.242 7.778 1.869 1.00 26.70 C ATOM 1966 CE2 TYR H1101 3.024 6.903 3.966 1.00 27.12 C ATOM 1967 CZ TYR H1101 2.477 6.699 2.713 1.00 26.78 C ATOM 1968 OH TYR H1101 2.140 5.426 2.316 1.00 26.95 O ATOM 1969 HH TYR H1101 1.765 5.456 1.400 1.00 0.00 H ATOM 1970 H TYR H1101 5.985 10.232 5.268 1.00 0.00 H ATOM 1971 N SER H1102 6.097 13.183 3.335 1.00 31.04 N ATOM 1972 CA SER H1102 6.469 14.603 3.517 1.00 32.67 C ATOM 1973 C SER H1102 7.133 14.961 4.857 1.00 32.64 C ATOM 1974 O SER H1102 8.184 15.607 4.858 1.00 34.37 O ATOM 1975 CB SER H1102 5.279 15.540 3.252 1.00 33.85 C ATOM 1976 OG SER H1102 4.730 15.314 1.964 1.00 36.56 O ATOM 1977 HG SER H1102 4.417 14.377 1.900 1.00 0.00 H ATOM 1978 H SER H1102 6.611 12.639 2.613 1.00 0.00 H ATOM 1979 N ASN H1103 6.504 14.595 5.977 1.00 31.84 N ATOM 1980 CA ASN H1103 7.037 14.894 7.318 1.00 31.88 C ATOM 1981 C ASN H1103 6.731 13.847 8.415 1.00 30.42 C ATOM 1982 O ASN H1103 6.846 14.149 9.605 1.00 30.10 O ATOM 1983 CB ASN H1103 6.524 16.276 7.753 1.00 33.35 C ATOM 1984 CG ASN H1103 5.008 16.353 7.799 1.00 35.04 C ATOM 1985 OD1 ASN H1103 4.312 15.410 7.416 1.00 35.94 O ATOM 1986 ND2 ASN H1103 4.487 17.484 8.263 1.00 36.85 N ATOM 1987 HD22 ASN H1103 5.112 18.254 8.576 1.00 0.00 H ATOM 1988 HD21 ASN H1103 3.455 17.599 8.313 1.00 0.00 H ATOM 1989 H ASN H1103 5.604 14.080 5.900 1.00 0.00 H ATOM 1990 N HIS H1104 6.360 12.627 8.024 1.00 27.66 N ATOM 1991 CA HIS H1104 6.109 11.542 8.985 1.00 26.21 C ATOM 1992 C HIS H1104 6.218 10.185 8.306 1.00 23.57 C ATOM 1993 O HIS H1104 6.174 10.101 7.081 1.00 23.12 O ATOM 1994 CB HIS H1104 4.739 11.695 9.655 1.00 27.32 C ATOM 1995 CG HIS H1104 3.571 11.469 8.742 1.00 28.07 C ATOM 1996 ND1 HIS H1104 2.780 10.342 8.813 1.00 28.93 N ATOM 1997 CD2 HIS H1104 3.045 12.235 7.758 1.00 28.36 C ATOM 1998 CE1 HIS H1104 1.821 10.421 7.908 1.00 28.55 C ATOM 1999 NE2 HIS H1104 1.960 11.559 7.254 1.00 28.81 N ATOM 2000 H HIS H1104 6.245 12.437 7.008 1.00 0.00 H ATOM 2001 N TRP H1105 6.381 9.140 9.116 1.00 21.23 N ATOM 2002 CA TRP H1105 6.439 7.761 8.628 1.00 20.37 C ATOM 2003 C TRP H1105 5.179 6.998 8.982 1.00 20.23 C ATOM 2004 O TRP H1105 4.607 7.212 10.052 1.00 21.79 O ATOM 2005 CB TRP H1105 7.603 7.008 9.266 1.00 19.42 C ATOM 2006 CG TRP H1105 8.952 7.502 8.913 1.00 18.94 C ATOM 2007 CD1 TRP H1105 9.692 8.420 9.594 1.00 19.01 C ATOM 2008 CD2 TRP H1105 9.738 7.110 7.780 1.00 18.43 C ATOM 2009 NE1 TRP H1105 10.895 8.617 8.968 1.00 18.74 N ATOM 2010 CE2 TRP H1105 10.954 7.822 7.851 1.00 18.32 C ATOM 2011 CE3 TRP H1105 9.544 6.206 6.720 1.00 18.44 C ATOM 2012 CZ2 TRP H1105 11.967 7.680 6.896 1.00 18.72 C ATOM 2013 CZ3 TRP H1105 10.556 6.067 5.769 1.00 18.79 C ATOM 2014 CH2 TRP H1105 11.749 6.805 5.862 1.00 18.24 C ATOM 2015 HE1 TRP H1105 11.643 9.265 9.288 1.00 0.00 H ATOM 2016 H TRP H1105 6.471 9.311 10.138 1.00 0.00 H ATOM 2017 N VAL H1106 4.786 6.076 8.103 1.00 19.43 N ATOM 2018 CA VAL H1106 3.758 5.086 8.405 1.00 19.51 C ATOM 2019 C VAL H1106 4.362 3.705 8.153 1.00 19.12 C ATOM 2020 O VAL H1106 4.825 3.427 7.045 1.00 18.48 O ATOM 2021 CB VAL H1106 2.496 5.276 7.541 1.00 20.20 C ATOM 2022 CG1 VAL H1106 1.410 4.276 7.933 1.00 20.73 C ATOM 2023 CG2 VAL H1106 1.987 6.712 7.645 1.00 20.68 C ATOM 2024 H VAL H1106 5.231 6.062 7.163 1.00 0.00 H ATOM 2025 N PHE H1107 4.361 2.862 9.185 1.00 18.99 N ATOM 2026 CA PHE H1107 4.793 1.478 9.071 1.00 19.42 C ATOM 2027 C PHE H1107 3.643 0.594 8.592 1.00 19.57 C ATOM 2028 O PHE H1107 2.477 0.790 8.957 1.00 20.25 O ATOM 2029 CB PHE H1107 5.344 0.961 10.409 1.00 19.54 C ATOM 2030 CG PHE H1107 6.753 1.395 10.692 1.00 19.95 C ATOM 2031 CD1 PHE H1107 7.047 2.714 11.051 1.00 20.70 C ATOM 2032 CD2 PHE H1107 7.794 0.493 10.589 1.00 20.13 C ATOM 2033 CE1 PHE H1107 8.356 3.102 11.306 1.00 21.30 C ATOM 2034 CE2 PHE H1107 9.100 0.875 10.840 1.00 20.37 C ATOM 2035 CZ PHE H1107 9.383 2.181 11.201 1.00 20.80 C ATOM 2036 H PHE H1107 4.038 3.208 10.111 1.00 0.00 H ATOM 2037 N GLY H1108 3.979 -0.387 7.759 1.00 19.06 N ATOM 2038 CA GLY H1108 3.053 -1.445 7.387 1.00 18.67 C ATOM 2039 C GLY H1108 2.808 -2.401 8.541 1.00 18.46 C ATOM 2040 O GLY H1108 3.463 -2.310 9.577 1.00 18.55 O ATOM 2041 H GLY H1108 4.939 -0.398 7.359 1.00 0.00 H ATOM 2042 N GLY H1109 1.866 -3.325 8.363 1.00 18.51 N ATOM 2043 CA GLY H1109 1.498 -4.287 9.413 1.00 18.55 C ATOM 2044 C GLY H1109 2.455 -5.453 9.593 1.00 18.72 C ATOM 2045 O GLY H1109 2.318 -6.243 10.531 1.00 20.08 O ATOM 2046 H GLY H1109 1.373 -3.368 7.449 1.00 0.00 H ATOM 2047 N GLY H1110 3.416 -5.581 8.680 1.00 18.23 N ATOM 2048 CA GLY H1110 4.407 -6.638 8.755 1.00 17.98 C ATOM 2049 C GLY H1110 3.980 -7.899 8.030 1.00 17.70 C ATOM 2050 O GLY H1110 2.788 -8.225 7.973 1.00 18.40 O ATOM 2051 H GLY H1110 3.457 -4.904 7.891 1.00 0.00 H ATOM 2052 N THR H1111 4.968 -8.610 7.490 1.00 16.84 N ATOM 2053 CA THR H1111 4.778 -9.907 6.840 1.00 16.70 C ATOM 2054 C THR H1111 5.529 -10.984 7.617 1.00 16.37 C ATOM 2055 O THR H1111 6.740 -10.877 7.815 1.00 16.10 O ATOM 2056 CB THR H1111 5.309 -9.885 5.391 1.00 16.47 C ATOM 2057 OG1 THR H1111 4.582 -8.917 4.627 1.00 16.17 O ATOM 2058 CG2 THR H1111 5.190 -11.264 4.713 1.00 16.96 C ATOM 2059 HG1 THR H1111 3.621 -9.156 4.622 1.00 0.00 H ATOM 2060 H THR H1111 5.931 -8.220 7.533 1.00 0.00 H ATOM 2061 N LYS H1112 4.815 -12.010 8.057 1.00 17.26 N ATOM 2062 CA LYS H1112 5.426 -13.186 8.675 1.00 18.09 C ATOM 2063 C LYS H1112 5.938 -14.102 7.571 1.00 17.18 C ATOM 2064 O LYS H1112 5.148 -14.727 6.868 1.00 17.78 O ATOM 2065 CB LYS H1112 4.399 -13.937 9.536 1.00 20.90 C ATOM 2066 CG LYS H1112 4.917 -15.191 10.245 1.00 24.28 C ATOM 2067 CD LYS H1112 5.882 -14.888 11.386 1.00 27.01 C ATOM 2068 CE LYS H1112 7.345 -14.957 10.967 1.00 28.63 C ATOM 2069 NZ LYS H1112 7.941 -16.310 11.091 1.00 29.49 N ATOM 2070 HZ1 LYS H1112 7.888 -16.621 12.082 1.00 0.00 H ATOM 2071 HZ2 LYS H1112 7.415 -16.976 10.489 1.00 0.00 H ATOM 2072 HZ3 LYS H1112 8.936 -16.278 10.789 1.00 0.00 H ATOM 2073 H LYS H1112 3.780 -11.978 7.959 1.00 0.00 H ATOM 2074 N LEU H1113 7.263 -14.188 7.425 1.00 16.35 N ATOM 2075 CA LEU H1113 7.882 -15.064 6.450 1.00 16.36 C ATOM 2076 C LEU H1113 8.273 -16.356 7.142 1.00 16.83 C ATOM 2077 O LEU H1113 9.046 -16.322 8.090 1.00 17.80 O ATOM 2078 CB LEU H1113 9.128 -14.408 5.850 1.00 16.29 C ATOM 2079 CG LEU H1113 9.806 -15.241 4.759 1.00 16.37 C ATOM 2080 CD1 LEU H1113 8.943 -15.353 3.511 1.00 16.38 C ATOM 2081 CD2 LEU H1113 11.161 -14.643 4.415 1.00 16.60 C ATOM 2082 H LEU H1113 7.873 -13.605 8.033 1.00 0.00 H ATOM 2083 N THR H1114 7.740 -17.478 6.659 1.00 18.14 N ATOM 2084 CA THR H1114 8.134 -18.813 7.112 1.00 19.67 C ATOM 2085 C THR H1114 9.048 -19.421 6.050 1.00 18.80 C ATOM 2086 O THR H1114 8.789 -19.271 4.861 1.00 18.36 O ATOM 2087 CB THR H1114 6.875 -19.679 7.336 1.00 21.58 C ATOM 2088 OG1 THR H1114 6.139 -19.140 8.443 1.00 24.65 O ATOM 2089 CG2 THR H1114 7.223 -21.119 7.638 1.00 23.31 C ATOM 2090 HG1 THR H1114 5.875 -18.208 8.240 1.00 0.00 H ATOM 2091 H THR H1114 7.008 -17.401 5.924 1.00 0.00 H ATOM 2092 N VAL H1115 10.140 -20.061 6.483 1.00 19.64 N ATOM 2093 CA VAL H1115 11.080 -20.725 5.583 1.00 20.29 C ATOM 2094 C VAL H1115 11.049 -22.208 5.950 1.00 21.46 C ATOM 2095 O VAL H1115 11.588 -22.605 6.986 1.00 22.89 O ATOM 2096 CB VAL H1115 12.508 -20.130 5.691 1.00 19.54 C ATOM 2097 CG1 VAL H1115 13.456 -20.819 4.715 1.00 20.09 C ATOM 2098 CG2 VAL H1115 12.479 -18.627 5.442 1.00 19.03 C ATOM 2099 H VAL H1115 10.328 -20.087 7.506 1.00 0.00 H ATOM 2100 N LEU H1116 10.385 -23.004 5.110 1.00 23.40 N ATOM 2101 CA LEU H1116 10.091 -24.414 5.393 1.00 26.00 C ATOM 2102 C LEU H1116 11.044 -25.330 4.644 1.00 27.03 C ATOM 2103 O LEU H1116 11.195 -25.200 3.439 1.00 26.33 O ATOM 2104 CB LEU H1116 8.633 -24.738 5.002 1.00 27.46 C ATOM 2105 CG LEU H1116 7.632 -25.224 6.059 1.00 30.33 C ATOM 2106 CD1 LEU H1116 7.807 -24.561 7.422 1.00 31.15 C ATOM 2107 CD2 LEU H1116 6.210 -25.044 5.536 1.00 30.33 C ATOM 2108 H LEU H1116 10.058 -22.604 4.207 1.00 0.00 H ATOM 2109 N GLY H1117 11.677 -26.256 5.365 1.00 29.74 N ATOM 2110 CA GLY H1117 12.539 -27.276 4.761 1.00 30.62 C ATOM 2111 C GLY H1117 13.989 -26.845 4.680 1.00 31.79 C ATOM 2112 O GLY H1117 14.515 -26.253 5.618 1.00 32.34 O ATOM 2113 H GLY H1117 11.554 -26.254 6.398 1.00 0.00 H TER 2114 GLY H1117 HETATM 2115 O HOH 1 -1.136 3.089 42.608 1.00 21.81 O HETATM 2116 O HOH 2 4.593 -10.615 -2.767 1.00 25.53 O HETATM 2117 O HOH 3 5.632 -8.488 15.270 1.00 28.71 O HETATM 2118 O HOH 4 1.349 13.657 33.037 1.00 32.71 O HETATM 2119 O HOH 5 13.884 -23.969 6.738 1.00 35.34 O HETATM 2120 O HOH 6 -6.085 4.373 25.803 1.00 35.57 O HETATM 2121 O HOH 7 27.282 12.439 19.838 1.00 35.97 O HETATM 2122 O HOH 8 19.285 17.415 8.473 1.00 29.39 O HETATM 2123 O HOH 9 15.835 -15.322 -8.483 1.00 38.95 O HETATM 2124 O HOH 10 21.272 10.794 30.023 1.00 34.70 O HETATM 2125 O HOH 11 14.022 6.565 -2.023 1.00 21.48 O HETATM 2126 O HOH 12 15.820 -4.638 18.808 1.00 22.47 O HETATM 2127 O HOH 13 12.009 6.694 33.329 1.00 24.90 O HETATM 2128 O HOH 14 15.011 -6.728 22.258 1.00 29.37 O HETATM 2129 O HOH 15 14.847 -17.149 12.209 1.00 38.84 O HETATM 2130 O HOH 16 24.048 -19.050 7.653 1.00 40.79 O HETATM 2131 O HOH 17 25.436 17.545 12.883 1.00 47.43 O HETATM 2132 O HOH 18 12.183 19.111 21.362 1.00 38.19 O HETATM 2133 O HOH 19 17.607 -9.971 -3.623 1.00 18.12 O HETATM 2134 O HOH 20 -1.005 -0.298 23.472 1.00 29.52 O HETATM 2135 O HOH 21 6.006 16.066 26.806 1.00 36.27 O HETATM 2136 O HOH 22 9.228 -18.556 -2.506 1.00 22.58 O HETATM 2137 O HOH 23 19.733 4.180 28.196 1.00 29.11 O HETATM 2138 O HOH 24 21.225 -2.419 23.616 1.00 38.40 O HETATM 2139 O HOH 25 21.148 15.289 28.690 1.00 28.61 O HETATM 2140 O HOH 26 12.611 10.442 10.491 1.00 19.67 O HETATM 2141 O HOH 27 12.988 -6.127 -4.283 1.00 22.41 O HETATM 2142 O HOH 28 0.388 6.540 14.343 1.00 34.73 O HETATM 2143 O HOH 29 20.444 2.127 4.195 1.00 31.66 O HETATM 2144 O HOH 30 15.194 7.981 31.386 1.00 29.12 O HETATM 2145 O HOH 31 20.312 -9.766 -4.115 1.00 22.62 O HETATM 2146 O HOH 32 10.564 13.808 33.649 1.00 42.91 O HETATM 2147 O HOH 33 18.630 -4.236 18.169 1.00 37.24 O HETATM 2148 O HOH 34 16.265 -11.975 -7.664 1.00 32.28 O HETATM 2149 O HOH 35 18.615 8.973 10.916 1.00 20.00 O HETATM 2150 O HOH 36 6.397 -9.593 17.694 1.00 36.84 O HETATM 2151 O HOH 37 10.146 -10.724 18.139 1.00 33.88 O HETATM 2152 O HOH 38 19.501 -10.005 10.281 1.00 35.31 O HETATM 2153 O HOH 39 16.819 5.910 31.962 1.00 32.17 O HETATM 2154 O HOH 40 0.974 -5.299 12.694 1.00 35.78 O HETATM 2155 O HOH 41 11.993 -19.207 -6.292 1.00 24.91 O HETATM 2156 O HOH 42 9.644 21.017 13.579 1.00 47.76 O HETATM 2157 O HOH 43 9.377 19.316 20.375 1.00 32.79 O HETATM 2158 O HOH 44 13.941 20.452 19.776 1.00 33.27 O HETATM 2159 O HOH 45 25.580 17.079 28.503 1.00 36.44 O HETATM 2160 O HOH 46 15.263 -23.903 -3.470 1.00 18.47 O HETATM 2161 O HOH 47 12.470 14.850 25.963 1.00 24.47 O HETATM 2162 O HOH 48 2.655 -2.051 12.166 1.00 23.39 O HETATM 2163 O HOH 49 10.453 -1.739 31.322 1.00 35.49 O HETATM 2164 O HOH 50 5.647 -21.144 -1.333 1.00 17.71 O HETATM 2165 O HOH 51 -2.597 1.750 -3.737 1.00 46.27 O HETATM 2166 O HOH 52 23.075 -3.228 17.467 1.00 41.45 O HETATM 2167 O HOH 53 0.908 1.701 -3.576 1.00 23.77 O HETATM 2168 O HOH 54 14.416 -1.147 30.048 1.00 34.35 O HETATM 2169 O HOH 55 -4.842 7.349 2.284 1.00 45.38 O HETATM 2170 O HOH 56 5.681 -7.110 2.887 1.00 17.32 O HETATM 2171 O HOH 57 7.405 20.055 16.738 1.00 34.15 O HETATM 2172 O HOH 58 21.202 -2.615 9.891 1.00 26.89 O HETATM 2173 O HOH 59 0.879 -8.291 -3.019 1.00 31.18 O HETATM 2174 O HOH 60 -0.870 9.082 14.829 1.00 35.53 O HETATM 2175 O HOH 61 7.360 -10.853 23.923 1.00 51.19 O HETATM 2176 O HOH 62 2.824 6.616 13.269 1.00 30.47 O HETATM 2177 O HOH 63 4.332 -17.427 7.268 1.00 30.87 O HETATM 2178 O HOH 64 24.636 -16.694 1.507 1.00 22.33 O HETATM 2179 O HOH 65 -2.634 -7.593 3.686 1.00 30.23 O HETATM 2180 O HOH 66 15.052 0.979 32.406 1.00 28.68 O HETATM 2181 O HOH 67 19.263 9.315 31.143 1.00 33.34 O HETATM 2182 O HOH 68 16.000 8.288 10.452 1.00 19.21 O HETATM 2183 O HOH 69 0.334 -7.249 7.162 1.00 25.72 O HETATM 2184 O HOH 70 1.333 -10.489 9.664 1.00 25.54 O HETATM 2185 O HOH 71 -6.102 4.922 29.339 1.00 35.34 O HETATM 2186 O HOH 72 -1.133 7.112 21.710 1.00 33.78 O HETATM 2187 O HOH 73 21.277 -16.571 -0.329 1.00 17.20 O HETATM 2188 O HOH 74 31.759 9.025 15.381 1.00 39.23 O HETATM 2189 O HOH 75 -2.671 0.289 1.797 1.00 28.45 O HETATM 2190 O HOH 76 18.314 -12.972 8.373 1.00 20.68 O HETATM 2191 O HOH 77 4.300 16.933 20.964 1.00 40.46 O HETATM 2192 O HOH 78 26.039 18.663 18.087 1.00 37.83 O HETATM 2193 O HOH 79 16.128 -7.881 -6.757 1.00 37.38 O HETATM 2194 O HOH 80 10.224 4.253 -1.925 1.00 20.18 O HETATM 2195 O HOH 81 10.413 -13.017 14.264 1.00 27.51 O HETATM 2196 O HOH 82 -1.773 3.174 9.438 1.00 39.31 O HETATM 2197 O HOH 83 11.714 -0.955 -1.400 1.00 16.72 O HETATM 2198 O HOH 84 16.825 -8.693 13.142 1.00 23.15 O HETATM 2199 O HOH 85 11.415 14.059 -1.522 1.00 41.55 O HETATM 2200 O HOH 86 6.668 -2.664 31.683 1.00 36.37 O HETATM 2201 O HOH 87 1.709 -12.271 -4.917 1.00 25.77 O HETATM 2202 O HOH 88 15.652 -18.927 -6.240 1.00 21.19 O HETATM 2203 O HOH 89 3.201 -4.584 28.312 1.00 37.07 O HETATM 2204 O HOH 90 -0.209 1.182 8.180 1.00 25.65 O HETATM 2205 O HOH 91 22.694 17.238 15.747 1.00 29.00 O HETATM 2206 O HOH 92 28.405 9.263 19.238 1.00 46.93 O HETATM 2207 O HOH 93 19.616 -2.817 14.908 1.00 32.36 O HETATM 2208 O HOH 94 22.688 18.409 21.824 1.00 33.64 O HETATM 2209 O HOH 95 17.355 14.091 30.552 1.00 51.28 O HETATM 2210 O HOH 96 24.182 19.922 12.806 1.00 34.17 O HETATM 2211 O HOH 97 26.510 19.324 27.432 1.00 35.74 O HETATM 2212 O HOH 98 7.754 -6.436 26.797 1.00 36.50 O HETATM 2213 O HOH 99 16.120 16.047 27.727 1.00 31.39 O HETATM 2214 O HOH 100 21.575 -1.782 19.218 1.00 30.86 O HETATM 2215 O HOH 101 22.507 -14.995 7.796 1.00 31.75 O HETATM 2216 O HOH 102 3.660 -22.428 5.749 1.00 32.65 O HETATM 2217 O HOH 103 15.931 -1.268 -7.025 1.00 26.20 O HETATM 2218 O HOH 104 16.904 1.166 7.248 1.00 26.50 O HETATM 2219 O HOH 105 11.557 16.178 30.197 1.00 38.75 O HETATM 2220 O HOH 106 1.499 1.855 21.809 1.00 29.03 O HETATM 2221 O HOH 107 22.627 -0.873 -1.737 1.00 33.68 O HETATM 2222 O HOH 108 -0.082 -4.568 6.488 1.00 23.28 O HETATM 2223 O HOH 109 24.296 -14.081 5.788 1.00 27.51 O HETATM 2224 O HOH 110 24.604 -16.876 5.603 1.00 40.90 O HETATM 2225 O HOH 111 1.231 -5.307 -0.311 1.00 26.98 O HETATM 2226 O HOH 112 12.047 -3.075 29.418 1.00 32.04 O HETATM 2227 O HOH 113 16.866 18.484 22.164 1.00 28.13 O HETATM 2228 O HOH 114 14.960 -26.202 -0.222 1.00 33.99 O HETATM 2229 O HOH 115 3.797 4.307 11.951 1.00 24.25 O HETATM 2230 O HOH 116 10.756 8.941 34.289 1.00 27.37 O HETATM 2231 O HOH 117 4.526 17.250 14.720 1.00 37.99 O HETATM 2232 O HOH 118 27.766 8.568 25.774 1.00 39.67 O HETATM 2233 O HOH 119 6.853 12.039 0.679 1.00 36.10 O HETATM 2234 O HOH 120 9.799 6.682 -8.209 1.00 30.02 O HETATM 2235 O HOH 121 -1.028 -4.825 -1.730 1.00 41.06 O HETATM 2236 O HOH 122 -1.868 13.143 21.421 1.00 37.38 O HETATM 2237 O HOH 123 25.002 2.279 23.535 1.00 29.23 O HETATM 2238 O HOH 124 2.965 9.446 -1.301 1.00 43.18 O HETATM 2239 O HOH 125 2.603 6.572 -1.849 1.00 35.57 O HETATM 2240 O HOH 126 2.001 2.367 11.465 1.00 30.49 O HETATM 2241 O HOH 127 12.859 -5.215 25.288 1.00 38.33 O HETATM 2242 O HOH 128 28.362 12.332 17.420 1.00 31.16 O HETATM 2243 O HOH 129 3.937 11.134 36.914 1.00 28.35 O HETATM 2244 O HOH 130 31.638 1.197 14.744 1.00 39.05 O HETATM 2245 O HOH 131 17.047 5.051 -5.060 1.00 40.56 O HETATM 2246 O HOH 132 8.160 12.367 34.061 1.00 38.12 O HETATM 2247 O HOH 133 24.980 18.567 23.257 1.00 37.65 O HETATM 2248 O HOH 134 16.375 23.060 8.566 1.00 47.04 O HETATM 2249 O HOH 135 -4.401 4.003 -3.705 1.00 32.13 O HETATM 2250 O HOH 136 7.078 0.429 -9.416 1.00 36.12 O HETATM 2251 O HOH 137 2.276 13.385 1.834 1.00 44.08 O HETATM 2252 O HOH 138 -2.312 -3.141 7.047 1.00 39.09 O HETATM 2253 O HOH 139 26.044 17.335 10.037 1.00 44.58 O HETATM 2254 O HOH 140 16.551 7.445 -2.550 1.00 44.74 O HETATM 2255 O HOH 141 -3.881 15.135 23.683 1.00 50.58 O HETATM 2256 O HOH 142 30.744 15.972 10.164 1.00 46.97 O HETATM 2257 O HOH 143 0.939 10.662 12.031 1.00 37.89 O HETATM 2258 O HOH 144 13.053 -0.742 32.378 1.00 50.05 O HETATM 2259 O HOH 145 1.154 -9.365 -5.323 1.00 35.50 O HETATM 2260 O HOH 146 13.691 -8.391 -7.929 1.00 45.60 O HETATM 2261 O HOH 147 20.099 6.793 31.628 1.00 47.42 O HETATM 2262 O HOH 148 4.607 -4.108 26.034 1.00 51.14 O HETATM 2263 O HOH 149 2.290 -18.345 8.887 1.00 39.70 O HETATM 2264 O HOH 150 -0.007 -1.957 11.617 1.00 38.54 O HETATM 2265 O HOH 151 20.399 -11.153 7.965 1.00 29.55 O HETATM 2266 O HOH 152 15.795 9.871 33.266 1.00 44.28 O HETATM 2267 O HOH 153 9.004 -12.645 16.564 1.00 36.77 O HETATM 2268 O HOH 154 21.086 6.360 29.080 1.00 37.46 O HETATM 2269 O HOH 155 11.161 -7.275 24.862 1.00 48.79 O HETATM 2270 O HOH 156 11.805 16.974 27.553 1.00 33.48 O HETATM 2271 O HOH 157 12.849 20.241 24.013 1.00 36.17 O HETATM 2272 O HOH 158 0.350 -5.192 28.699 1.00 44.15 O HETATM 2273 O HOH 159 20.266 8.619 7.508 1.00 27.23 O HETATM 2274 O HOH 160 21.508 13.795 8.716 1.00 28.01 O HETATM 2275 O HOH 161 16.403 15.865 4.662 1.00 43.48 O HETATM 2276 O HOH 162 14.610 9.844 8.603 1.00 19.58 O HETATM 2277 O HOH 163 22.864 3.124 5.171 1.00 40.22 O HETATM 2278 N ALA A 164 12.144 15.500 2.182 1.00 0.24 N HETATM 2279 CA ALA A 164 12.798 14.188 2.322 1.00 0.06 C HETATM 2280 C ALA A 164 13.227 13.935 3.778 1.00 0.23 C HETATM 2281 O ALA A 164 13.499 14.885 4.507 1.00 -0.39 O HETATM 2282 N ALA A 164 13.359 12.644 4.172 1.00 -0.25 N HETATM 2283 CA ALA A 164 13.841 12.187 5.527 1.00 0.13 C HETATM 2284 C ALA A 164 15.261 12.299 5.628 1.00 0.20 C HETATM 2285 O ALA A 164 15.895 12.989 4.824 1.00 -0.39 O HETATM 2286 N ALA A 164 15.883 11.618 6.612 1.00 -0.26 N HETATM 2287 CA ALA A 164 17.351 11.654 6.756 1.00 0.14 C HETATM 2288 C ALA A 164 17.978 10.749 5.682 1.00 0.21 C HETATM 2289 O ALA A 164 18.146 9.554 5.896 1.00 -0.39 O HETATM 2290 N ALA A 164 18.363 11.375 4.554 1.00 -0.26 N HETATM 2291 CA ALA A 164 18.971 10.636 3.421 1.00 0.13 C HETATM 2292 CB ALA A 164 18.607 11.296 2.064 1.00 0.00 C HETATM 2293 CG2 ALA A 164 17.087 11.494 1.881 1.00 -0.06 C HETATM 2294 H22 ALA A 164 16.893 11.963 0.905 1.00 0.02 H HETATM 2295 H23 ALA A 164 16.703 12.142 2.682 1.00 0.02 H HETATM 2296 H24 ALA A 164 16.582 10.518 1.925 1.00 0.02 H HETATM 2297 SEG ALA A 164 19.594 12.999 1.826 1.00 0.00 SE HETATM 2298 C1 ALA A 164 18.493 14.436 2.631 1.00 0.11 C HETATM 2299 O ALA A 164 18.631 14.486 4.085 1.00 -0.36 O HETATM 2300 C5 ALA A 164 19.934 14.895 4.616 1.00 0.11 C HETATM 2301 C4 ALA A 164 20.466 16.204 3.968 1.00 0.11 C HETATM 2302 C3 ALA A 164 20.318 16.172 2.447 1.00 0.11 C HETATM 2303 C2 ALA A 164 18.861 15.833 2.073 1.00 0.10 C HETATM 2304 N2 ALA A 164 18.661 15.920 0.604 1.00 -0.28 N HETATM 2305 C7 ALA A 164 18.327 17.080 -0.016 1.00 0.17 C HETATM 2306 O7 ALA A 164 18.174 18.160 0.560 1.00 -0.40 O HETATM 2307 C8 ALA A 164 18.165 17.003 -1.542 1.00 0.03 C HETATM 2308 H62 ALA A 164 17.896 17.995 -1.933 1.00 0.05 H HETATM 2309 H63 ALA A 164 17.371 16.283 -1.791 1.00 0.05 H HETATM 2310 H64 ALA A 164 19.112 16.675 -1.995 1.00 0.05 H HETATM 2311 H53 ALA A 164 18.777 15.094 0.052 1.00 0.19 H HETATM 2312 H52 ALA A 164 18.201 16.574 2.547 1.00 0.06 H HETATM 2313 O3 ALA A 164 20.693 17.455 1.916 1.00 -0.39 O HETATM 2314 H55 ALA A 164 20.120 18.124 2.272 1.00 0.21 H HETATM 2315 H54 ALA A 164 20.983 15.401 2.032 1.00 0.06 H HETATM 2316 O4 ALA A 164 19.773 17.362 4.492 1.00 -0.39 O HETATM 2317 H57 ALA A 164 20.149 18.151 4.119 1.00 0.21 H HETATM 2318 H56 ALA A 164 21.535 16.296 4.212 1.00 0.06 H HETATM 2319 C6 ALA A 164 19.774 15.078 6.135 1.00 0.07 C HETATM 2320 O6 ALA A 164 20.991 15.562 6.720 1.00 -0.39 O HETATM 2321 H61 ALA A 164 20.871 15.668 7.656 1.00 0.21 H HETATM 2322 H59 ALA A 164 19.515 14.110 6.590 1.00 0.06 H HETATM 2323 H60 ALA A 164 18.968 15.801 6.328 1.00 0.06 H HETATM 2324 H58 ALA A 164 20.663 14.094 4.421 1.00 0.06 H HETATM 2325 H51 ALA A 164 17.441 14.228 2.387 1.00 0.06 H HETATM 2326 H25 ALA A 164 20.514 12.713 3.595 1.00 0.00 H HETATM 2327 H26 ALA A 164 20.912 11.758 0.940 1.00 0.00 H HETATM 2328 H27 ALA A 164 20.809 14.561 1.446 1.00 0.00 H HETATM 2329 H28 ALA A 164 18.674 13.285 0.057 1.00 0.00 H HETATM 2330 H21 ALA A 164 18.939 10.610 1.271 1.00 0.04 H HETATM 2331 C ALA A 164 20.522 10.476 3.541 1.00 0.20 C HETATM 2332 O ALA A 164 21.144 9.957 2.612 1.00 -0.39 O HETATM 2333 N ALA A 164 21.130 10.898 4.677 1.00 -0.26 N HETATM 2334 CA ALA A 164 22.589 10.767 4.885 1.00 0.13 C HETATM 2335 C ALA A 164 22.946 9.270 5.031 1.00 0.21 C HETATM 2336 O ALA A 164 22.357 8.591 5.869 1.00 -0.39 O HETATM 2337 N ALA A 164 23.905 8.756 4.226 1.00 -0.25 N HETATM 2338 CA ALA A 164 24.289 7.306 4.284 1.00 0.13 C HETATM 2339 C ALA A 164 24.829 6.908 5.540 1.00 0.20 C HETATM 2340 O ALA A 164 25.531 7.671 6.201 1.00 -0.39 O HETATM 2341 N ALA A 164 24.511 5.679 5.960 1.00 -0.30 N HETATM 2342 H49 ALA A 164 24.861 5.343 6.835 1.00 0.18 H HETATM 2343 H50 ALA A 164 23.924 5.095 5.399 1.00 0.18 H HETATM 2344 CB ALA A 164 25.298 7.145 3.130 1.00 -0.01 C HETATM 2345 CG ALA A 164 25.907 8.519 3.113 1.00 -0.03 C HETATM 2346 CD ALA A 164 24.676 9.376 3.153 1.00 0.04 C HETATM 2347 H47 ALA A 164 24.925 10.421 3.392 1.00 0.05 H HETATM 2348 H48 ALA A 164 24.132 9.338 2.198 1.00 0.05 H HETATM 2349 H45 ALA A 164 26.490 8.691 2.196 1.00 0.03 H HETATM 2350 H46 ALA A 164 26.547 8.689 3.992 1.00 0.03 H HETATM 2351 H43 ALA A 164 24.796 6.911 2.180 1.00 0.03 H HETATM 2352 H44 ALA A 164 26.047 6.370 3.350 1.00 0.03 H HETATM 2353 H42 ALA A 164 23.402 6.685 4.089 1.00 0.08 H HETATM 2354 CB ALA A 164 22.964 11.519 6.174 1.00 -0.01 C HETATM 2355 CG ALA A 164 24.473 11.769 6.272 1.00 -0.02 C HETATM 2356 CD ALA A 164 24.798 12.239 7.694 1.00 0.06 C HETATM 2357 NE ALA A 164 26.240 12.520 7.811 1.00 -0.27 N HETATM 2358 CZ ALA A 164 26.867 13.688 7.549 1.00 0.29 C HETATM 2359 NH1 ALA A 164 26.203 14.786 7.129 1.00 -0.28 N HETATM 2360 H38 ALA A 164 26.718 15.658 6.940 1.00 0.26 H HETATM 2361 H39 ALA A 164 25.182 14.752 6.998 1.00 0.26 H HETATM 2362 NH2 ALA A 164 28.201 13.756 7.711 1.00 -0.28 N HETATM 2363 H40 ALA A 164 28.724 12.928 8.031 1.00 0.26 H HETATM 2364 H41 ALA A 164 28.699 14.636 7.515 1.00 0.26 H HETATM 2365 H37 ALA A 164 26.835 11.741 8.127 1.00 0.26 H HETATM 2366 H35 ALA A 164 24.520 11.452 8.411 1.00 0.07 H HETATM 2367 H36 ALA A 164 24.229 13.154 7.915 1.00 0.07 H HETATM 2368 H33 ALA A 164 24.768 12.543 5.549 1.00 0.03 H HETATM 2369 H34 ALA A 164 25.018 10.838 6.056 1.00 0.03 H HETATM 2370 H31 ALA A 164 22.646 10.920 7.040 1.00 0.03 H HETATM 2371 H32 ALA A 164 22.442 12.487 6.186 1.00 0.03 H HETATM 2372 H30 ALA A 164 23.131 11.197 4.030 1.00 0.08 H HETATM 2373 H29 ALA A 164 20.574 11.311 5.398 1.00 0.19 H HETATM 2374 H20 ALA A 164 18.538 9.625 3.427 1.00 0.08 H HETATM 2375 H19 ALA A 164 18.236 12.364 4.478 1.00 0.19 H HETATM 2376 CB ALA A 164 17.755 11.158 8.156 1.00 0.04 C HETATM 2377 CG ALA A 164 19.240 11.450 8.470 1.00 0.04 C HETATM 2378 OD1 ALA A 164 19.955 11.951 7.578 1.00 -0.57 O HETATM 2379 OD2 ALA A 164 19.649 11.120 9.597 1.00 -0.57 O HETATM 2380 H17 ALA A 164 17.588 10.072 8.210 1.00 0.05 H HETATM 2381 H18 ALA A 164 17.128 11.663 8.906 1.00 0.05 H HETATM 2382 H16 ALA A 164 17.707 12.686 6.620 1.00 0.08 H HETATM 2383 H15 ALA A 164 15.339 11.079 7.255 1.00 0.19 H HETATM 2384 CB ALA A 164 13.283 10.750 5.531 1.00 -0.01 C HETATM 2385 CG ALA A 164 13.562 10.310 4.149 1.00 -0.03 C HETATM 2386 CD ALA A 164 13.051 11.466 3.364 1.00 0.04 C HETATM 2387 H13 ALA A 164 13.557 11.524 2.389 1.00 0.05 H HETATM 2388 H14 ALA A 164 11.966 11.377 3.209 1.00 0.05 H HETATM 2389 H11 ALA A 164 13.019 9.386 3.904 1.00 0.03 H HETATM 2390 H12 ALA A 164 14.639 10.157 3.985 1.00 0.03 H HETATM 2391 H9 ALA A 164 12.204 10.741 5.744 1.00 0.03 H HETATM 2392 H10 ALA A 164 13.807 10.120 6.265 1.00 0.03 H HETATM 2393 H8 ALA A 164 13.388 12.778 6.337 1.00 0.08 H HETATM 2394 CB ALA A 164 14.062 14.144 1.451 1.00 -0.00 C HETATM 2395 H5 ALA A 164 14.547 13.163 1.558 1.00 0.03 H HETATM 2396 H6 ALA A 164 14.757 14.934 1.773 1.00 0.03 H HETATM 2397 H7 ALA A 164 13.787 14.304 0.398 1.00 0.03 H HETATM 2398 H4 ALA A 164 12.098 13.401 2.003 1.00 0.11 H HETATM 2399 H1 ALA A 164 11.874 15.640 1.221 1.00 0.20 H HETATM 2400 H2 ALA A 164 12.785 16.226 2.460 1.00 0.20 H HETATM 2401 H3 ALA A 164 11.325 15.532 2.769 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 1128 1129 1130 CONECT 1128 1120 CONECT 1129 1120 CONECT 1130 1120 CONECT 1307 1306 1924 CONECT 1924 1307 1923 CONECT 2278 2279 2399 2400 2401 CONECT 2279 2278 2280 2394 2398 CONECT 2280 2279 2281 2282 CONECT 2281 2280 CONECT 2282 2280 2283 2386 CONECT 2283 2282 2284 2384 2393 CONECT 2284 2283 2285 2286 CONECT 2285 2284 CONECT 2286 2284 2287 2383 CONECT 2287 2286 2288 2376 2382 CONECT 2288 2287 2289 2290 CONECT 2289 2288 CONECT 2290 2288 2291 2375 CONECT 2291 2290 2292 2331 2374 CONECT 2292 2291 2293 2297 2330 CONECT 2293 2292 2294 2295 2296 CONECT 2294 2293 CONECT 2295 2293 CONECT 2296 2293 CONECT 2297 2298 2326 2327 2328 CONECT 2297 2292 2329 CONECT 2298 2297 2299 2303 2325 CONECT 2299 2298 2300 CONECT 2300 2299 2301 2319 2324 CONECT 2301 2300 2302 2316 2318 CONECT 2302 2301 2303 2313 2315 CONECT 2303 2298 2302 2304 2312 CONECT 2304 2303 2305 2311 CONECT 2305 2304 2306 2307 CONECT 2306 2305 CONECT 2307 2305 2308 2309 2310 CONECT 2308 2307 CONECT 2309 2307 CONECT 2310 2307 CONECT 2311 2304 CONECT 2312 2303 CONECT 2313 2302 2314 CONECT 2314 2313 CONECT 2315 2302 CONECT 2316 2301 2317 CONECT 2317 2316 CONECT 2318 2301 CONECT 2319 2300 2320 2322 2323 CONECT 2320 2319 2321 CONECT 2321 2320 CONECT 2322 2319 CONECT 2323 2319 CONECT 2324 2300 CONECT 2325 2298 CONECT 2326 2297 CONECT 2327 2297 CONECT 2328 2297 CONECT 2329 2297 CONECT 2330 2292 CONECT 2331 2291 2332 2333 CONECT 2332 2331 CONECT 2333 2331 2334 2373 CONECT 2334 2333 2335 2354 2372 CONECT 2335 2334 2336 2337 CONECT 2336 2335 CONECT 2337 2335 2338 2346 CONECT 2338 2337 2339 2344 2353 CONECT 2339 2338 2340 2341 CONECT 2340 2339 CONECT 2341 2339 2342 2343 CONECT 2342 2341 CONECT 2343 2341 CONECT 2344 2338 2345 2351 2352 CONECT 2345 2344 2346 2349 2350 CONECT 2346 2337 2345 2347 2348 CONECT 2347 2346 CONECT 2348 2346 CONECT 2349 2345 CONECT 2350 2345 CONECT 2351 2344 CONECT 2352 2344 CONECT 2353 2338 CONECT 2354 2334 2355 2370 2371 CONECT 2355 2354 2356 2368 2369 CONECT 2356 2355 2357 2366 2367 CONECT 2357 2356 2358 2365 CONECT 2358 2357 2359 2362 CONECT 2359 2358 2360 2361 CONECT 2360 2359 CONECT 2361 2359 CONECT 2362 2358 2363 2364 CONECT 2363 2362 CONECT 2364 2362 CONECT 2365 2357 CONECT 2366 2356 CONECT 2367 2356 CONECT 2368 2355 CONECT 2369 2355 CONECT 2370 2354 CONECT 2371 2354 CONECT 2372 2334 CONECT 2373 2333 CONECT 2374 2291 CONECT 2375 2290 CONECT 2376 2287 2377 2380 2381 CONECT 2377 2376 2378 2379 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2376 CONECT 2381 2376 CONECT 2382 2287 CONECT 2383 2286 CONECT 2384 2283 2385 2391 2392 CONECT 2385 2384 2386 2389 2390 CONECT 2386 2282 2385 2387 2388 CONECT 2387 2386 CONECT 2388 2386 CONECT 2389 2385 CONECT 2390 2385 CONECT 2391 2384 CONECT 2392 2384 CONECT 2393 2283 CONECT 2394 2279 2395 2396 2397 CONECT 2395 2394 CONECT 2396 2394 CONECT 2397 2394 CONECT 2398 2279 CONECT 2399 2278 CONECT 2400 2278 CONECT 2401 2278 MASTER 0 0 0 0 0 0 0 0 2399 2 137 18 END
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Entry Information
PDB ID
6frj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
scFv-SM3
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=193uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Am. Chem. Soc. Vol. 141: pp. 4063-4072
Ligand Properties
Formula
C
3
5
H
6
5
N
1
1
O
1
3
Se
Molecular Weight
926.916
Exact Mass
927.393
No. of atoms
125
No. of bonds
127
Polar Surface Area
400.98
LOGP Value
-4.63 (
Computed with XLOGP3
)
-4.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([SeH4][C@@H]([C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N)CCC[NH+]=C(N)N)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H]([NH3+])C)CC(=O)O)C)[C@@H]([C@H]([C@H]1O)O)NC(=O)C
InChI String
InChI=1S/C35H63N11O13Se/c1-15(36)32(57)46-12-6-9-21(46)30(55)43-19(13-23(49)50)29(54)44-24(16(2)60-34-25(41-17(3)48)27(52)26(51)22(14-47)59-34)31(56)42-18(7-4-10-40-35(38)39)33(58)45-11-5-8-20(45)28(37)53/h15-16,18-22,24-27,34,47,51-52H,4-14,36H2,1-3H3,60H4,(H2,37,53)(H,41,48)(H,42,56)(H,43,55)(H,44,54)(H,49,50)(H4,38,39,40)/p+2/t15-,16+,18-,19-,20-,21-,22+,24-,25+,26-,27+,34+/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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