Browse entries in the PDBbind-CN Database
HEADER 5A2J_COMPLEX COMPND 5A2J_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 109 ILE VAL VAL THR GLN GLU SER ALA LEU THR THR SER PRO SEQRES 2 H 109 GLY GLU THR VAL THR LEU THR CYS ARG SER SER THR GLY SEQRES 3 H 109 ALA VAL THR THR SER ASN TYR ALA ASN TRP VAL GLN GLU SEQRES 4 H 109 LYS PRO ASP HIS LEU PHE THR GLY LEU ILE GLY GLY THR SEQRES 5 H 109 ASN ASN ARG ALA PRO GLY VAL PRO ALA ARG PHE SER GLY SEQRES 6 H 109 SER LEU ILE GLY ASP LYS ALA ALA LEU THR ILE THR GLY SEQRES 7 H 109 ALA GLN THR GLU ASP GLU ALA ILE TYR PHE CYS ALA LEU SEQRES 8 H 109 TRP TYR SER ASN HIS TRP VAL PHE GLY GLY GLY THR LYS SEQRES 9 H 109 LEU THR VAL LEU GLY HET ALA A 433 91 SSBOND 1 CYS H 22 CYS H 92 SSBOND 2 CYS H 1023 CYS H 1088 ATOM 1 N GLN H 1 11.574 19.329 19.346 1.00 31.15 N ATOM 2 CA GLN H 1 11.577 17.942 18.855 1.00 28.14 C ATOM 3 C GLN H 1 10.503 17.186 19.619 1.00 26.22 C ATOM 4 O GLN H 1 9.806 17.746 20.479 1.00 27.87 O ATOM 5 CB GLN H 1 12.951 17.293 19.064 1.00 27.63 C ATOM 6 HN3 GLN H 1 11.780 19.335 20.365 1.00 0.00 H ATOM 7 HN2 GLN H 1 10.640 19.753 19.177 1.00 0.00 H ATOM 8 HN1 GLN H 1 12.301 19.876 18.841 1.00 0.00 H ATOM 9 N VAL H 2 10.365 15.918 19.296 1.00 23.85 N ATOM 10 CA VAL H 2 9.379 15.071 19.965 1.00 22.00 C ATOM 11 C VAL H 2 10.119 14.188 20.946 1.00 21.39 C ATOM 12 O VAL H 2 11.173 13.641 20.637 1.00 21.80 O ATOM 13 CB VAL H 2 8.584 14.242 18.945 1.00 21.61 C ATOM 14 CG1 VAL H 2 7.770 13.141 19.627 1.00 21.16 C ATOM 15 CG2 VAL H 2 7.672 15.171 18.149 1.00 21.91 C ATOM 16 H VAL H 2 10.968 15.511 18.552 1.00 0.00 H ATOM 17 N GLN H 3 9.550 14.040 22.129 1.00 20.67 N ATOM 18 CA GLN H 3 10.114 13.183 23.131 1.00 21.05 C ATOM 19 C GLN H 3 9.014 12.288 23.674 1.00 19.30 C ATOM 20 O GLN H 3 7.904 12.745 23.926 1.00 17.68 O ATOM 21 CB GLN H 3 10.673 14.019 24.259 1.00 25.33 C ATOM 22 CG GLN H 3 11.524 13.244 25.237 1.00 29.48 C ATOM 23 CD GLN H 3 12.585 14.121 25.879 1.00 34.42 C ATOM 24 OE1 GLN H 3 13.023 15.114 25.288 1.00 38.60 O ATOM 25 NE2 GLN H 3 13.009 13.754 27.092 1.00 37.51 N ATOM 26 HE22 GLN H 3 12.610 12.909 27.549 1.00 0.00 H ATOM 27 HE21 GLN H 3 13.738 14.313 27.579 1.00 0.00 H ATOM 28 H GLN H 3 8.672 14.557 22.339 1.00 0.00 H ATOM 29 N LEU H 4 9.360 11.031 23.867 1.00 17.72 N ATOM 30 CA LEU H 4 8.512 10.077 24.546 1.00 16.78 C ATOM 31 C LEU H 4 9.336 9.502 25.673 1.00 18.17 C ATOM 32 O LEU H 4 10.305 8.792 25.431 1.00 19.04 O ATOM 33 CB LEU H 4 8.074 8.972 23.578 1.00 15.39 C ATOM 34 CG LEU H 4 7.097 9.363 22.478 1.00 14.81 C ATOM 35 CD1 LEU H 4 6.928 8.210 21.507 1.00 14.51 C ATOM 36 CD2 LEU H 4 5.750 9.721 23.064 1.00 14.61 C ATOM 37 H LEU H 4 10.285 10.711 23.515 1.00 0.00 H ATOM 38 N GLN H 5 9.027 9.874 26.908 1.00 18.86 N ATOM 39 CA GLN H 5 9.845 9.412 28.026 1.00 20.00 C ATOM 40 C GLN H 5 9.135 8.363 28.847 1.00 17.83 C ATOM 41 O GLN H 5 8.086 8.619 29.442 1.00 16.82 O ATOM 42 CB GLN H 5 10.295 10.550 28.932 1.00 24.47 C ATOM 43 CG GLN H 5 11.538 10.126 29.710 1.00 28.98 C ATOM 44 CD GLN H 5 11.794 10.972 30.922 1.00 33.71 C ATOM 45 OE1 GLN H 5 12.316 10.485 31.940 1.00 37.06 O ATOM 46 NE2 GLN H 5 11.426 12.249 30.838 1.00 36.22 N ATOM 47 HE22 GLN H 5 10.993 12.609 29.964 1.00 0.00 H ATOM 48 HE21 GLN H 5 11.572 12.886 31.647 1.00 0.00 H ATOM 49 H GLN H 5 8.207 10.491 27.079 1.00 0.00 H ATOM 50 N GLU H 6 9.743 7.183 28.896 1.00 16.50 N ATOM 51 CA GLU H 6 9.185 6.026 29.595 1.00 16.17 C ATOM 52 C GLU H 6 9.747 5.886 30.995 1.00 16.16 C ATOM 53 O GLU H 6 10.858 6.336 31.287 1.00 16.79 O ATOM 54 CB GLU H 6 9.471 4.699 28.870 1.00 16.14 C ATOM 55 CG GLU H 6 8.678 4.414 27.605 1.00 15.99 C ATOM 56 CD GLU H 6 9.518 4.622 26.371 1.00 16.20 C ATOM 57 OE1 GLU H 6 10.459 5.440 26.442 1.00 17.01 O ATOM 58 OE2 GLU H 6 9.273 3.982 25.330 1.00 15.91 O ATOM 59 H GLU H 6 10.659 7.077 28.415 1.00 0.00 H ATOM 60 N SER H 7 8.963 5.225 31.835 1.00 15.37 N ATOM 61 CA SER H 7 9.381 4.872 33.170 1.00 15.51 C ATOM 62 C SER H 7 8.570 3.663 33.633 1.00 14.67 C ATOM 63 O SER H 7 7.560 3.319 33.022 1.00 13.31 O ATOM 64 CB SER H 7 9.169 6.060 34.103 1.00 16.80 C ATOM 65 OG SER H 7 7.812 6.482 34.088 1.00 17.56 O ATOM 66 HG SER H 7 7.561 6.750 33.169 1.00 0.00 H ATOM 67 H SER H 7 8.011 4.951 31.520 1.00 0.00 H ATOM 68 N GLY H 8 9.013 3.034 34.719 1.00 14.28 N ATOM 69 CA GLY H 8 8.228 1.989 35.358 1.00 14.70 C ATOM 70 C GLY H 8 8.779 0.585 35.326 1.00 15.00 C ATOM 71 O GLY H 8 8.287 -0.276 36.054 1.00 15.48 O ATOM 72 H GLY H 8 9.937 3.294 35.118 1.00 0.00 H ATOM 73 N GLY H 9 9.751 0.331 34.459 1.00 15.57 N ATOM 74 CA GLY H 9 10.363 -1.001 34.341 1.00 16.15 C ATOM 75 C GLY H 9 11.146 -1.405 35.573 1.00 16.97 C ATOM 76 O GLY H 9 11.444 -0.581 36.448 1.00 18.65 O ATOM 77 H GLY H 9 10.091 1.098 33.844 1.00 0.00 H ATOM 78 N GLY H 10 11.484 -2.680 35.635 1.00 17.04 N ATOM 79 CA GLY H 10 12.239 -3.233 36.747 1.00 17.94 C ATOM 80 C GLY H 10 12.071 -4.723 36.815 1.00 18.54 C ATOM 81 O GLY H 10 11.501 -5.333 35.903 1.00 17.37 O ATOM 82 H GLY H 10 11.199 -3.312 34.859 1.00 0.00 H ATOM 83 N LEU H 11 12.579 -5.302 37.911 1.00 19.14 N ATOM 84 CA LEU H 11 12.537 -6.731 38.149 1.00 20.06 C ATOM 85 C LEU H 11 11.237 -7.046 38.869 1.00 19.42 C ATOM 86 O LEU H 11 10.832 -6.312 39.790 1.00 19.17 O ATOM 87 CB LEU H 11 13.709 -7.156 39.045 1.00 21.31 C ATOM 88 CG LEU H 11 14.463 -8.491 38.853 1.00 23.96 C ATOM 89 CD1 LEU H 11 14.965 -8.964 40.213 1.00 25.15 C ATOM 90 CD2 LEU H 11 13.679 -9.607 38.179 1.00 23.93 C ATOM 91 H LEU H 11 13.026 -4.695 38.628 1.00 0.00 H ATOM 92 N VAL H 12 10.590 -8.129 38.452 1.00 19.29 N ATOM 93 CA VAL H 12 9.321 -8.553 39.045 1.00 19.95 C ATOM 94 C VAL H 12 9.217 -10.076 38.979 1.00 20.67 C ATOM 95 O VAL H 12 9.751 -10.707 38.054 1.00 19.47 O ATOM 96 CB VAL H 12 8.118 -7.856 38.348 1.00 20.64 C ATOM 97 CG1 VAL H 12 8.185 -8.024 36.846 1.00 20.57 C ATOM 98 CG2 VAL H 12 6.777 -8.360 38.878 1.00 21.03 C ATOM 99 H VAL H 12 10.998 -8.693 37.680 1.00 0.00 H ATOM 100 N GLN H 13 8.572 -10.676 39.979 1.00 21.66 N ATOM 101 CA GLN H 13 8.428 -12.124 40.019 1.00 23.16 C ATOM 102 C GLN H 13 7.305 -12.571 39.096 1.00 22.03 C ATOM 103 O GLN H 13 6.372 -11.806 38.851 1.00 20.12 O ATOM 104 CB GLN H 13 8.103 -12.598 41.431 1.00 26.61 C ATOM 105 CG GLN H 13 9.143 -12.237 42.465 1.00 29.79 C ATOM 106 CD GLN H 13 9.062 -13.163 43.645 1.00 33.96 C ATOM 107 OE1 GLN H 13 8.400 -12.859 44.637 1.00 36.92 O ATOM 108 NE2 GLN H 13 9.706 -14.324 43.533 1.00 36.47 N ATOM 109 HE22 GLN H 13 10.253 -14.535 42.674 1.00 0.00 H ATOM 110 HE21 GLN H 13 9.662 -15.020 44.305 1.00 0.00 H ATOM 111 H GLN H 13 8.165 -10.100 40.743 1.00 0.00 H ATOM 112 N PRO H 14 7.392 -13.807 38.570 1.00 21.13 N ATOM 113 CA PRO H 14 6.260 -14.379 37.862 1.00 20.61 C ATOM 114 C PRO H 14 4.992 -14.301 38.708 1.00 19.35 C ATOM 115 O PRO H 14 5.046 -14.536 39.924 1.00 20.04 O ATOM 116 CB PRO H 14 6.690 -15.842 37.633 1.00 21.45 C ATOM 117 CG PRO H 14 8.177 -15.773 37.612 1.00 21.94 C ATOM 118 CD PRO H 14 8.513 -14.761 38.662 1.00 21.60 C ATOM 119 N GLY H 15 3.882 -13.931 38.074 1.00 17.89 N ATOM 120 CA GLY H 15 2.603 -13.706 38.751 1.00 17.25 C ATOM 121 C GLY H 15 2.410 -12.280 39.218 1.00 16.00 C ATOM 122 O GLY H 15 1.321 -11.902 39.638 1.00 15.69 O ATOM 123 H GLY H 15 3.925 -13.794 37.044 1.00 0.00 H ATOM 124 N GLY H 16 3.462 -11.478 39.103 1.00 15.39 N ATOM 125 CA GLY H 16 3.455 -10.105 39.580 1.00 15.33 C ATOM 126 C GLY H 16 2.834 -9.123 38.634 1.00 14.85 C ATOM 127 O GLY H 16 2.348 -9.494 37.568 1.00 14.32 O ATOM 128 H GLY H 16 4.325 -11.847 38.654 1.00 0.00 H ATOM 129 N SER H 17 2.838 -7.862 39.054 1.00 14.87 N ATOM 130 CA SER H 17 2.236 -6.781 38.288 1.00 15.64 C ATOM 131 C SER H 17 3.202 -5.611 38.208 1.00 15.38 C ATOM 132 O SER H 17 4.030 -5.431 39.100 1.00 15.31 O ATOM 133 CB SER H 17 0.949 -6.326 38.981 1.00 16.67 C ATOM 134 OG SER H 17 0.258 -5.351 38.223 1.00 18.28 O ATOM 135 HG SER H 17 0.018 -5.730 37.340 1.00 0.00 H ATOM 136 H SER H 17 3.288 -7.639 39.965 1.00 0.00 H ATOM 137 N MET H 18 3.066 -4.808 37.151 1.00 15.32 N ATOM 138 CA MET H 18 3.882 -3.630 36.974 1.00 15.78 C ATOM 139 C MET H 18 3.130 -2.648 36.104 1.00 14.70 C ATOM 140 O MET H 18 2.371 -3.066 35.265 1.00 13.99 O ATOM 141 CB MET H 18 5.164 -4.047 36.290 1.00 17.46 C ATOM 142 CG MET H 18 6.142 -2.940 35.983 1.00 19.25 C ATOM 143 SD MET H 18 7.679 -3.748 35.502 1.00 22.47 S ATOM 144 CE MET H 18 8.443 -3.902 37.120 1.00 22.49 C ATOM 145 H MET H 18 2.350 -5.038 36.432 1.00 0.00 H ATOM 146 N LYS H 19 3.359 -1.349 36.317 1.00 13.68 N ATOM 147 CA LYS H 19 2.750 -0.334 35.483 1.00 13.51 C ATOM 148 C LYS H 19 3.815 0.537 34.833 1.00 12.57 C ATOM 149 O LYS H 19 4.659 1.120 35.522 1.00 12.99 O ATOM 150 CB LYS H 19 1.825 0.551 36.307 1.00 14.54 C ATOM 151 CG LYS H 19 1.058 1.516 35.436 1.00 15.42 C ATOM 152 CD LYS H 19 0.186 2.436 36.246 1.00 17.14 C ATOM 153 CE LYS H 19 -0.871 2.997 35.323 1.00 18.73 C ATOM 154 NZ LYS H 19 -1.903 3.755 36.069 1.00 20.25 N ATOM 155 HZ1 LYS H 19 -2.367 3.125 36.754 1.00 0.00 H ATOM 156 HZ2 LYS H 19 -1.454 4.546 36.573 1.00 0.00 H ATOM 157 HZ3 LYS H 19 -2.610 4.124 35.402 1.00 0.00 H ATOM 158 H LYS H 19 3.986 -1.062 37.096 1.00 0.00 H ATOM 159 N LEU H 20 3.757 0.635 33.506 1.00 11.86 N ATOM 160 CA LEU H 20 4.667 1.450 32.736 1.00 11.38 C ATOM 161 C LEU H 20 3.973 2.743 32.352 1.00 11.59 C ATOM 162 O LEU H 20 2.753 2.764 32.111 1.00 10.96 O ATOM 163 CB LEU H 20 5.102 0.725 31.463 1.00 11.78 C ATOM 164 CG LEU H 20 5.558 -0.712 31.635 1.00 11.75 C ATOM 165 CD1 LEU H 20 5.967 -1.270 30.267 1.00 12.08 C ATOM 166 CD2 LEU H 20 6.709 -0.810 32.627 1.00 12.41 C ATOM 167 H LEU H 20 3.022 0.100 33.001 1.00 0.00 H ATOM 168 N SER H 21 4.762 3.803 32.291 1.00 11.51 N ATOM 169 CA SER H 21 4.272 5.135 31.920 1.00 12.15 C ATOM 170 C SER H 21 5.093 5.697 30.769 1.00 12.48 C ATOM 171 O SER H 21 6.279 5.401 30.638 1.00 12.00 O ATOM 172 CB SER H 21 4.359 6.092 33.112 1.00 12.75 C ATOM 173 OG SER H 21 3.497 5.658 34.162 1.00 13.94 O ATOM 174 HG SER H 21 3.565 6.286 34.924 1.00 0.00 H ATOM 175 H SER H 21 5.771 3.687 32.515 1.00 0.00 H ATOM 176 N CYS H 22 4.458 6.536 29.955 1.00 12.42 N ATOM 177 CA CYS H 22 5.147 7.222 28.879 1.00 13.40 C ATOM 178 C CYS H 22 4.556 8.626 28.728 1.00 13.77 C ATOM 179 O CYS H 22 3.370 8.773 28.496 1.00 13.11 O ATOM 180 CB CYS H 22 4.992 6.413 27.600 1.00 14.47 C ATOM 181 SG CYS H 22 5.536 7.265 26.084 1.00 16.26 S ATOM 182 H CYS H 22 3.441 6.704 30.094 1.00 0.00 H ATOM 183 N VAL H 23 5.384 9.650 28.900 1.00 13.79 N ATOM 184 CA VAL H 23 4.926 11.031 28.758 1.00 14.25 C ATOM 185 C VAL H 23 5.469 11.602 27.448 1.00 13.75 C ATOM 186 O VAL H 23 6.664 11.532 27.171 1.00 14.77 O ATOM 187 CB VAL H 23 5.311 11.914 29.979 1.00 15.49 C ATOM 188 CG1 VAL H 23 6.802 11.887 30.259 1.00 16.53 C ATOM 189 CG2 VAL H 23 4.843 13.333 29.786 1.00 16.46 C ATOM 190 H VAL H 23 6.379 9.466 29.141 1.00 0.00 H ATOM 191 N ALA H 24 4.572 12.161 26.646 1.00 12.99 N ATOM 192 CA ALA H 24 4.881 12.719 25.331 1.00 13.54 C ATOM 193 C ALA H 24 4.968 14.246 25.334 1.00 14.09 C ATOM 194 O ALA H 24 4.219 14.918 26.051 1.00 15.11 O ATOM 195 CB ALA H 24 3.802 12.299 24.354 1.00 12.79 C ATOM 196 H ALA H 24 3.586 12.205 26.974 1.00 0.00 H ATOM 197 N SER H 25 5.865 14.788 24.514 1.00 14.17 N ATOM 198 CA SER H 25 5.940 16.237 24.294 1.00 14.69 C ATOM 199 C SER H 25 6.352 16.514 22.863 1.00 15.13 C ATOM 200 O SER H 25 6.929 15.665 22.212 1.00 14.99 O ATOM 201 CB SER H 25 6.914 16.896 25.264 1.00 15.27 C ATOM 202 OG SER H 25 8.193 16.316 25.173 1.00 15.79 O ATOM 203 HG SER H 25 8.540 16.427 24.252 1.00 0.00 H ATOM 204 H SER H 25 6.533 14.166 24.014 1.00 0.00 H ATOM 205 N GLY H 26 5.991 17.684 22.353 1.00 15.51 N ATOM 206 CA GLY H 26 6.430 18.106 21.030 1.00 16.41 C ATOM 207 C GLY H 26 5.452 17.846 19.896 1.00 16.76 C ATOM 208 O GLY H 26 5.694 18.273 18.766 1.00 17.72 O ATOM 209 H GLY H 26 5.380 18.315 22.911 1.00 0.00 H ATOM 210 N PHE H 27 4.369 17.116 20.172 1.00 16.07 N ATOM 211 CA PHE H 27 3.286 16.923 19.195 1.00 15.16 C ATOM 212 C PHE H 27 1.932 16.860 19.901 1.00 14.56 C ATOM 213 O PHE H 27 1.886 16.723 21.121 1.00 15.42 O ATOM 214 CB PHE H 27 3.520 15.682 18.337 1.00 14.57 C ATOM 215 CG PHE H 27 3.378 14.380 19.077 1.00 14.21 C ATOM 216 CD1 PHE H 27 4.344 13.960 19.971 1.00 14.50 C ATOM 217 CD2 PHE H 27 2.294 13.559 18.843 1.00 13.49 C ATOM 218 CE1 PHE H 27 4.227 12.743 20.627 1.00 14.04 C ATOM 219 CE2 PHE H 27 2.159 12.352 19.494 1.00 13.30 C ATOM 220 CZ PHE H 27 3.123 11.935 20.390 1.00 13.11 C ATOM 221 H PHE H 27 4.288 16.669 21.108 1.00 0.00 H ATOM 222 N THR H 28 0.842 16.975 19.140 1.00 13.66 N ATOM 223 CA THR H 28 -0.494 16.959 19.724 1.00 13.40 C ATOM 224 C THR H 28 -0.864 15.512 20.023 1.00 12.90 C ATOM 225 O THR H 28 -1.570 14.863 19.264 1.00 12.53 O ATOM 226 CB THR H 28 -1.535 17.634 18.825 1.00 14.00 C ATOM 227 OG1 THR H 28 -1.076 18.954 18.487 1.00 14.59 O ATOM 228 CG2 THR H 28 -2.868 17.722 19.552 1.00 14.04 C ATOM 229 HG1 THR H 28 -0.956 19.483 19.315 1.00 0.00 H ATOM 230 H THR H 28 0.947 17.078 18.110 1.00 0.00 H ATOM 231 N PHE H 29 -0.365 15.045 21.162 1.00 13.11 N ATOM 232 CA PHE H 29 -0.539 13.669 21.649 1.00 12.51 C ATOM 233 C PHE H 29 -1.972 13.155 21.489 1.00 12.19 C ATOM 234 O PHE H 29 -2.189 12.041 20.981 1.00 11.44 O ATOM 235 CB PHE H 29 -0.105 13.618 23.121 1.00 12.75 C ATOM 236 CG PHE H 29 -0.363 12.298 23.807 1.00 12.18 C ATOM 237 CD1 PHE H 29 0.565 11.253 23.741 1.00 11.64 C ATOM 238 CD2 PHE H 29 -1.524 12.100 24.547 1.00 11.77 C ATOM 239 CE1 PHE H 29 0.317 10.047 24.390 1.00 11.47 C ATOM 240 CE2 PHE H 29 -1.759 10.903 25.197 1.00 11.60 C ATOM 241 CZ PHE H 29 -0.838 9.875 25.130 1.00 11.54 C ATOM 242 H PHE H 29 0.188 15.700 21.751 1.00 0.00 H ATOM 243 N SER H 30 -2.950 13.957 21.897 1.00 12.09 N ATOM 244 CA SER H 30 -4.351 13.533 21.894 1.00 12.24 C ATOM 245 C SER H 30 -4.969 13.260 20.520 1.00 11.97 C ATOM 246 O SER H 30 -6.077 12.730 20.458 1.00 11.83 O ATOM 247 CB SER H 30 -5.227 14.568 22.629 1.00 13.24 C ATOM 248 OG SER H 30 -5.205 15.809 21.947 1.00 14.59 O ATOM 249 HG SER H 30 -4.275 16.145 21.906 1.00 0.00 H ATOM 250 H SER H 30 -2.713 14.914 22.228 1.00 0.00 H ATOM 251 N ASN H 31 -4.270 13.639 19.443 1.00 11.88 N ATOM 252 CA ASN H 31 -4.755 13.471 18.076 1.00 12.47 C ATOM 253 C ASN H 31 -4.314 12.151 17.457 1.00 11.33 C ATOM 254 O ASN H 31 -4.752 11.819 16.361 1.00 11.38 O ATOM 255 CB ASN H 31 -4.251 14.603 17.169 1.00 14.10 C ATOM 256 CG ASN H 31 -5.077 15.861 17.284 1.00 15.88 C ATOM 257 OD1 ASN H 31 -6.144 15.866 17.897 1.00 16.99 O ATOM 258 ND2 ASN H 31 -4.585 16.942 16.695 1.00 18.18 N ATOM 259 HD22 ASN H 31 -3.679 16.891 16.188 1.00 0.00 H ATOM 260 HD21 ASN H 31 -5.105 17.841 16.740 1.00 0.00 H ATOM 261 H ASN H 31 -3.336 14.074 19.587 1.00 0.00 H ATOM 262 N TYR H 32 -3.468 11.406 18.153 1.00 10.63 N ATOM 263 CA TYR H 32 -2.874 10.186 17.601 1.00 10.07 C ATOM 264 C TYR H 32 -3.101 8.953 18.464 1.00 9.34 C ATOM 265 O TYR H 32 -3.120 9.014 19.701 1.00 9.03 O ATOM 266 CB TYR H 32 -1.376 10.359 17.444 1.00 10.37 C ATOM 267 CG TYR H 32 -1.021 11.389 16.410 1.00 10.73 C ATOM 268 CD1 TYR H 32 -0.987 11.066 15.066 1.00 11.31 C ATOM 269 CD2 TYR H 32 -0.738 12.689 16.776 1.00 11.46 C ATOM 270 CE1 TYR H 32 -0.677 12.022 14.117 1.00 12.15 C ATOM 271 CE2 TYR H 32 -0.429 13.654 15.833 1.00 12.26 C ATOM 272 CZ TYR H 32 -0.388 13.312 14.518 1.00 12.77 C ATOM 273 OH TYR H 32 -0.073 14.288 13.601 1.00 15.44 O ATOM 274 HH TYR H 32 -0.081 13.899 12.691 1.00 0.00 H ATOM 275 H TYR H 32 -3.218 11.696 19.120 1.00 0.00 H ATOM 276 N TRP H 33 -3.252 7.809 17.802 1.00 9.13 N ATOM 277 CA TRP H 33 -3.287 6.542 18.528 1.00 8.85 C ATOM 278 C TRP H 33 -1.901 6.308 19.128 1.00 9.11 C ATOM 279 O TRP H 33 -0.898 6.777 18.585 1.00 9.47 O ATOM 280 CB TRP H 33 -3.598 5.361 17.619 1.00 8.76 C ATOM 281 CG TRP H 33 -4.854 5.405 16.797 1.00 8.64 C ATOM 282 CD1 TRP H 33 -5.723 6.447 16.629 1.00 8.78 C ATOM 283 CD2 TRP H 33 -5.332 4.347 15.975 1.00 8.61 C ATOM 284 NE1 TRP H 33 -6.723 6.087 15.762 1.00 9.01 N ATOM 285 CE2 TRP H 33 -6.489 4.807 15.331 1.00 8.94 C ATOM 286 CE3 TRP H 33 -4.872 3.054 15.706 1.00 8.62 C ATOM 287 CZ2 TRP H 33 -7.212 4.016 14.431 1.00 9.13 C ATOM 288 CZ3 TRP H 33 -5.581 2.270 14.849 1.00 8.85 C ATOM 289 CH2 TRP H 33 -6.751 2.760 14.204 1.00 9.12 C ATOM 290 HE1 TRP H 33 -7.525 6.685 15.479 1.00 0.00 H ATOM 291 H TRP H 33 -3.345 7.817 16.766 1.00 0.00 H ATOM 292 N MET H 34 -1.825 5.554 20.221 1.00 9.42 N ATOM 293 CA MET H 34 -0.555 5.146 20.787 1.00 10.09 C ATOM 294 C MET H 34 -0.475 3.643 20.927 1.00 9.67 C ATOM 295 O MET H 34 -1.489 2.964 21.038 1.00 9.24 O ATOM 296 CB MET H 34 -0.284 5.853 22.119 1.00 11.50 C ATOM 297 CG MET H 34 -0.047 7.344 21.998 1.00 12.47 C ATOM 298 SD MET H 34 1.469 7.804 21.147 1.00 14.86 S ATOM 299 CE MET H 34 2.791 7.090 22.113 1.00 15.77 C ATOM 300 H MET H 34 -2.704 5.248 20.684 1.00 0.00 H ATOM 301 N ASN H 35 0.758 3.140 20.888 1.00 8.84 N ATOM 302 CA ASN H 35 1.049 1.705 20.953 1.00 8.63 C ATOM 303 C ASN H 35 2.121 1.413 21.958 1.00 8.58 C ATOM 304 O ASN H 35 2.965 2.266 22.226 1.00 8.70 O ATOM 305 CB ASN H 35 1.565 1.196 19.598 1.00 8.69 C ATOM 306 CG ASN H 35 0.650 1.551 18.447 1.00 8.67 C ATOM 307 OD1 ASN H 35 -0.196 0.737 18.053 1.00 8.95 O ATOM 308 ND2 ASN H 35 0.827 2.736 17.879 1.00 8.82 N ATOM 309 HD22 ASN H 35 1.551 3.386 18.246 1.00 0.00 H ATOM 310 HD21 ASN H 35 0.242 3.016 17.066 1.00 0.00 H ATOM 311 H ASN H 35 1.557 3.801 20.807 1.00 0.00 H ATOM 312 N TRP H 36 2.099 0.199 22.484 1.00 8.58 N ATOM 313 CA TRP H 36 3.259 -0.382 23.134 1.00 8.85 C ATOM 314 C TRP H 36 3.779 -1.529 22.262 1.00 9.17 C ATOM 315 O TRP H 36 3.002 -2.323 21.701 1.00 9.46 O ATOM 316 CB TRP H 36 2.909 -0.912 24.523 1.00 8.97 C ATOM 317 CG TRP H 36 2.668 0.183 25.517 1.00 8.91 C ATOM 318 CD1 TRP H 36 1.468 0.753 25.826 1.00 8.97 C ATOM 319 CD2 TRP H 36 3.655 0.868 26.292 1.00 8.95 C ATOM 320 NE1 TRP H 36 1.641 1.720 26.787 1.00 8.90 N ATOM 321 CE2 TRP H 36 2.971 1.817 27.092 1.00 9.02 C ATOM 322 CE3 TRP H 36 5.033 0.733 26.436 1.00 9.11 C ATOM 323 CZ2 TRP H 36 3.628 2.658 28.002 1.00 9.13 C ATOM 324 CZ3 TRP H 36 5.687 1.577 27.349 1.00 9.32 C ATOM 325 CH2 TRP H 36 4.988 2.523 28.097 1.00 9.30 C ATOM 326 HE1 TRP H 36 0.882 2.288 27.214 1.00 0.00 H ATOM 327 H TRP H 36 1.222 -0.357 22.430 1.00 0.00 H ATOM 328 N VAL H 37 5.104 -1.596 22.163 1.00 9.73 N ATOM 329 CA VAL H 37 5.817 -2.613 21.400 1.00 10.17 C ATOM 330 C VAL H 37 6.950 -3.041 22.322 1.00 10.62 C ATOM 331 O VAL H 37 7.561 -2.189 23.004 1.00 11.58 O ATOM 332 CB VAL H 37 6.389 -2.010 20.091 1.00 10.30 C ATOM 333 CG1 VAL H 37 7.286 -3.008 19.373 1.00 10.69 C ATOM 334 CG2 VAL H 37 5.270 -1.530 19.179 1.00 10.47 C ATOM 335 H VAL H 37 5.667 -0.877 22.662 1.00 0.00 H ATOM 336 N ARG H 38 7.215 -4.333 22.385 1.00 11.03 N ATOM 337 CA ARG H 38 8.324 -4.836 23.197 1.00 11.31 C ATOM 338 C ARG H 38 9.360 -5.590 22.377 1.00 11.98 C ATOM 339 O ARG H 38 9.053 -6.184 21.337 1.00 11.57 O ATOM 340 CB ARG H 38 7.813 -5.704 24.339 1.00 11.44 C ATOM 341 CG ARG H 38 7.146 -6.985 23.897 1.00 11.47 C ATOM 342 CD ARG H 38 6.497 -7.706 25.069 1.00 12.06 C ATOM 343 NE ARG H 38 5.909 -8.963 24.616 1.00 12.99 N ATOM 344 CZ ARG H 38 5.135 -9.759 25.349 1.00 13.30 C ATOM 345 NH1 ARG H 38 4.830 -9.455 26.603 1.00 12.99 N ATOM 346 NH2 ARG H 38 4.660 -10.893 24.809 1.00 14.45 N ATOM 347 HE ARG H 38 6.112 -9.261 23.640 1.00 0.00 H ATOM 348 HH12 ARG H 38 4.223 -10.091 27.159 1.00 0.00 H ATOM 349 HH11 ARG H 38 5.197 -8.581 27.030 1.00 0.00 H ATOM 350 HH22 ARG H 38 4.054 -11.523 25.372 1.00 0.00 H ATOM 351 HH21 ARG H 38 4.898 -11.141 23.828 1.00 0.00 H ATOM 352 H ARG H 38 6.627 -5.003 21.850 1.00 0.00 H ATOM 353 N GLN H 39 10.584 -5.586 22.892 1.00 12.73 N ATOM 354 CA GLN H 39 11.705 -6.269 22.246 1.00 13.84 C ATOM 355 C GLN H 39 12.357 -7.268 23.187 1.00 15.26 C ATOM 356 O GLN H 39 12.722 -6.915 24.315 1.00 14.67 O ATOM 357 CB GLN H 39 12.743 -5.225 21.856 1.00 14.24 C ATOM 358 CG GLN H 39 13.925 -5.784 21.097 1.00 15.12 C ATOM 359 CD GLN H 39 14.900 -4.710 20.690 1.00 15.81 C ATOM 360 OE1 GLN H 39 14.997 -3.664 21.336 1.00 16.56 O ATOM 361 NE2 GLN H 39 15.650 -4.974 19.637 1.00 16.48 N ATOM 362 HE22 GLN H 39 15.530 -5.871 19.125 1.00 0.00 H ATOM 363 HE21 GLN H 39 16.361 -4.285 19.319 1.00 0.00 H ATOM 364 H GLN H 39 10.751 -5.080 23.785 1.00 0.00 H ATOM 365 N SER H 40 12.534 -8.495 22.702 1.00 17.18 N ATOM 366 CA SER H 40 13.315 -9.498 23.421 1.00 19.86 C ATOM 367 C SER H 40 14.295 -10.186 22.454 1.00 22.84 C ATOM 368 O SER H 40 14.020 -10.277 21.247 1.00 22.31 O ATOM 369 CB SER H 40 12.358 -10.526 24.026 1.00 20.26 C ATOM 370 OG SER H 40 11.624 -11.178 22.999 1.00 21.54 O ATOM 371 HG SER H 40 11.101 -10.507 22.492 1.00 0.00 H ATOM 372 H SER H 40 12.105 -8.746 21.788 1.00 0.00 H ATOM 373 N PRO H 41 15.451 -10.680 22.966 1.00 25.54 N ATOM 374 CA PRO H 41 16.343 -11.437 22.054 1.00 28.19 C ATOM 375 C PRO H 41 15.608 -12.581 21.354 1.00 29.86 C ATOM 376 O PRO H 41 15.804 -12.812 20.163 1.00 30.26 O ATOM 377 CB PRO H 41 17.429 -11.991 22.980 1.00 27.76 C ATOM 378 CG PRO H 41 17.308 -11.246 24.263 1.00 27.20 C ATOM 379 CD PRO H 41 15.952 -10.627 24.349 1.00 25.93 C ATOM 380 N GLU H 42 14.740 -13.256 22.103 1.00 32.56 N ATOM 381 CA GLU H 42 14.023 -14.424 21.613 1.00 34.03 C ATOM 382 C GLU H 42 12.988 -14.077 20.558 1.00 33.52 C ATOM 383 O GLU H 42 13.042 -14.591 19.439 1.00 35.54 O ATOM 384 CB GLU H 42 13.325 -15.145 22.766 1.00 36.09 C ATOM 385 CG GLU H 42 14.274 -15.805 23.757 1.00 38.17 C ATOM 386 CD GLU H 42 14.835 -14.855 24.804 1.00 39.92 C ATOM 387 OE1 GLU H 42 14.448 -13.662 24.821 1.00 39.43 O ATOM 388 OE2 GLU H 42 15.670 -15.311 25.619 1.00 42.03 O ATOM 389 H GLU H 42 14.567 -12.936 23.077 1.00 0.00 H ATOM 390 N LYS H 43 12.024 -13.235 20.918 1.00 31.43 N ATOM 391 CA LYS H 43 10.868 -12.991 20.059 1.00 30.50 C ATOM 392 C LYS H 43 10.969 -11.739 19.180 1.00 27.41 C ATOM 393 O LYS H 43 10.009 -11.420 18.495 1.00 26.66 O ATOM 394 CB LYS H 43 9.591 -12.945 20.907 1.00 32.17 C ATOM 395 CG LYS H 43 9.273 -14.246 21.633 1.00 34.56 C ATOM 396 CD LYS H 43 7.941 -14.178 22.366 1.00 36.29 C ATOM 397 CE LYS H 43 7.983 -13.250 23.571 1.00 37.91 C ATOM 398 NZ LYS H 43 6.736 -13.392 24.374 1.00 40.28 N ATOM 399 HZ1 LYS H 43 5.915 -13.147 23.784 1.00 0.00 H ATOM 400 HZ2 LYS H 43 6.647 -14.374 24.703 1.00 0.00 H ATOM 401 HZ3 LYS H 43 6.778 -12.753 25.193 1.00 0.00 H ATOM 402 H LYS H 43 12.094 -12.740 21.830 1.00 0.00 H ATOM 403 N GLY H 44 12.110 -11.042 19.176 1.00 24.73 N ATOM 404 CA GLY H 44 12.277 -9.844 18.333 1.00 22.48 C ATOM 405 C GLY H 44 11.346 -8.714 18.758 1.00 19.97 C ATOM 406 O GLY H 44 11.061 -8.591 19.952 1.00 20.30 O ATOM 407 H GLY H 44 12.897 -11.352 19.781 1.00 0.00 H ATOM 408 N LEU H 45 10.877 -7.899 17.805 1.00 18.42 N ATOM 409 CA LEU H 45 9.897 -6.827 18.091 1.00 17.41 C ATOM 410 C LEU H 45 8.505 -7.385 18.028 1.00 16.35 C ATOM 411 O LEU H 45 8.125 -8.020 17.037 1.00 15.30 O ATOM 412 CB LEU H 45 9.941 -5.654 17.090 1.00 18.35 C ATOM 413 CG LEU H 45 10.972 -4.557 17.247 1.00 19.26 C ATOM 414 CD1 LEU H 45 10.830 -3.535 16.138 1.00 19.20 C ATOM 415 CD2 LEU H 45 10.895 -3.877 18.604 1.00 19.02 C ATOM 416 H LEU H 45 11.213 -8.023 16.829 1.00 0.00 H ATOM 417 N GLU H 46 7.725 -7.109 19.068 1.00 15.07 N ATOM 418 CA GLU H 46 6.385 -7.581 19.185 1.00 14.55 C ATOM 419 C GLU H 46 5.428 -6.451 19.550 1.00 13.39 C ATOM 420 O GLU H 46 5.545 -5.877 20.612 1.00 12.10 O ATOM 421 CB GLU H 46 6.363 -8.636 20.263 1.00 16.49 C ATOM 422 CG GLU H 46 5.098 -9.406 20.367 1.00 19.09 C ATOM 423 CD GLU H 46 5.200 -10.501 21.409 1.00 20.49 C ATOM 424 OE1 GLU H 46 6.244 -10.577 22.110 1.00 21.30 O ATOM 425 OE2 GLU H 46 4.238 -11.288 21.487 1.00 24.39 O ATOM 426 H GLU H 46 8.111 -6.520 19.834 1.00 0.00 H ATOM 427 N TRP H 47 4.471 -6.147 18.680 1.00 11.99 N ATOM 428 CA TRP H 47 3.418 -5.199 19.021 1.00 11.65 C ATOM 429 C TRP H 47 2.535 -5.817 20.123 1.00 11.83 C ATOM 430 O TRP H 47 2.132 -6.972 20.011 1.00 12.10 O ATOM 431 CB TRP H 47 2.631 -4.846 17.773 1.00 11.34 C ATOM 432 CG TRP H 47 1.456 -3.999 18.019 1.00 10.51 C ATOM 433 CD1 TRP H 47 1.405 -2.628 18.022 1.00 10.29 C ATOM 434 CD2 TRP H 47 0.119 -4.454 18.262 1.00 10.42 C ATOM 435 NE1 TRP H 47 0.122 -2.207 18.259 1.00 10.01 N ATOM 436 CE2 TRP H 47 -0.690 -3.309 18.410 1.00 10.18 C ATOM 437 CE3 TRP H 47 -0.477 -5.722 18.337 1.00 10.45 C ATOM 438 CZ2 TRP H 47 -2.057 -3.396 18.660 1.00 10.12 C ATOM 439 CZ3 TRP H 47 -1.839 -5.807 18.594 1.00 10.45 C ATOM 440 CH2 TRP H 47 -2.613 -4.644 18.743 1.00 10.47 C ATOM 441 HE1 TRP H 47 -0.188 -1.216 18.316 1.00 0.00 H ATOM 442 H TRP H 47 4.473 -6.593 17.740 1.00 0.00 H ATOM 443 N VAL H 48 2.259 -5.032 21.165 1.00 11.36 N ATOM 444 CA VAL H 48 1.568 -5.459 22.404 1.00 12.28 C ATOM 445 C VAL H 48 0.131 -4.938 22.458 1.00 11.46 C ATOM 446 O VAL H 48 -0.816 -5.680 22.764 1.00 10.93 O ATOM 447 CB VAL H 48 2.325 -4.898 23.666 1.00 13.25 C ATOM 448 CG1 VAL H 48 1.592 -5.178 24.980 1.00 14.05 C ATOM 449 CG2 VAL H 48 3.743 -5.420 23.711 1.00 14.53 C ATOM 450 H VAL H 48 2.554 -4.037 21.103 1.00 0.00 H ATOM 451 N ALA H 49 -0.037 -3.658 22.155 1.00 10.84 N ATOM 452 CA ALA H 49 -1.325 -2.992 22.378 1.00 10.40 C ATOM 453 C ALA H 49 -1.411 -1.657 21.685 1.00 10.02 C ATOM 454 O ALA H 49 -0.387 -1.004 21.471 1.00 8.81 O ATOM 455 CB ALA H 49 -1.581 -2.794 23.866 1.00 10.88 C ATOM 456 H ALA H 49 0.756 -3.118 21.753 1.00 0.00 H ATOM 457 N GLU H 50 -2.645 -1.261 21.343 1.00 10.22 N ATOM 458 CA GLU H 50 -2.900 0.088 20.818 1.00 10.12 C ATOM 459 C GLU H 50 -4.060 0.708 21.573 1.00 9.86 C ATOM 460 O GLU H 50 -4.924 -0.017 22.110 1.00 9.54 O ATOM 461 CB GLU H 50 -3.253 0.098 19.324 1.00 10.85 C ATOM 462 CG GLU H 50 -4.650 -0.429 19.057 1.00 11.43 C ATOM 463 CD GLU H 50 -5.114 -0.377 17.613 1.00 11.61 C ATOM 464 OE1 GLU H 50 -4.302 -0.337 16.671 1.00 10.86 O ATOM 465 OE2 GLU H 50 -6.354 -0.466 17.422 1.00 11.76 O ATOM 466 H GLU H 50 -3.440 -1.923 21.452 1.00 0.00 H ATOM 467 N ILE H 51 -4.072 2.042 21.607 1.00 9.35 N ATOM 468 CA ILE H 51 -5.216 2.786 22.121 1.00 9.63 C ATOM 469 C ILE H 51 -5.527 3.901 21.143 1.00 9.77 C ATOM 470 O ILE H 51 -4.617 4.606 20.664 1.00 9.65 O ATOM 471 CB ILE H 51 -5.014 3.309 23.562 1.00 9.35 C ATOM 472 CG1 ILE H 51 -6.298 3.976 24.074 1.00 9.62 C ATOM 473 CG2 ILE H 51 -3.831 4.282 23.663 1.00 9.25 C ATOM 474 CD1 ILE H 51 -6.303 4.120 25.597 1.00 9.78 C ATOM 475 H ILE H 51 -3.244 2.565 21.258 1.00 0.00 H ATOM 476 N ARG H 52 -6.810 4.031 20.810 1.00 9.77 N ATOM 477 CA ARG H 52 -7.250 5.059 19.896 1.00 10.08 C ATOM 478 C ARG H 52 -7.683 6.277 20.708 1.00 10.03 C ATOM 479 O ARG H 52 -7.075 6.620 21.729 1.00 10.03 O ATOM 480 CB ARG H 52 -8.362 4.524 18.965 1.00 10.51 C ATOM 481 CG ARG H 52 -7.953 3.227 18.301 1.00 10.71 C ATOM 482 CD ARG H 52 -8.921 2.718 17.254 1.00 11.28 C ATOM 483 NE ARG H 52 -8.393 1.480 16.684 1.00 11.70 N ATOM 484 CZ ARG H 52 -8.849 0.867 15.602 1.00 12.27 C ATOM 485 NH1 ARG H 52 -9.863 1.376 14.909 1.00 13.10 N ATOM 486 NH2 ARG H 52 -8.241 -0.229 15.173 1.00 12.57 N ATOM 487 HE ARG H 52 -7.586 1.041 17.172 1.00 0.00 H ATOM 488 HH12 ARG H 52 -10.212 0.885 14.061 1.00 0.00 H ATOM 489 HH11 ARG H 52 -10.307 2.265 15.215 1.00 0.00 H ATOM 490 HH22 ARG H 52 -8.590 -0.719 14.325 1.00 0.00 H ATOM 491 HH21 ARG H 52 -7.415 -0.599 15.685 1.00 0.00 H ATOM 492 H ARG H 52 -7.510 3.378 21.217 1.00 0.00 H ATOM 493 N LEU H 52A -8.528 7.231 19.948 1.00 10.58 N ATOM 494 CA LEU H 52A -8.717 8.552 20.472 1.00 10.52 C ATOM 495 C LEU H 52A -9.896 8.557 21.448 1.00 11.12 C ATOM 496 O LEU H 52A -10.794 7.705 21.412 1.00 11.24 O ATOM 497 CB LEU H 52A -8.987 9.514 19.311 1.00 10.99 C ATOM 498 CG LEU H 52A -7.909 9.436 18.216 1.00 11.06 C ATOM 499 CD1 LEU H 52A -8.199 10.490 17.184 1.00 11.85 C ATOM 500 CD2 LEU H 52A -6.518 9.626 18.784 1.00 10.88 C ATOM 501 H LEU H 52A -8.974 6.947 19.053 1.00 0.00 H ATOM 502 N LYS H 52B -10.096 9.840 22.103 1.00 13.16 N ATOM 503 CA LYS H 52B -11.312 10.096 22.873 1.00 14.04 C ATOM 504 C LYS H 52B -12.580 9.913 22.042 1.00 13.79 C ATOM 505 O LYS H 52B -13.556 9.268 22.460 1.00 14.09 O ATOM 506 CB LYS H 52B -11.280 11.502 23.447 1.00 15.71 C ATOM 507 CG LYS H 52B -12.567 11.836 24.180 1.00 18.21 C ATOM 508 CD LYS H 52B -12.505 13.168 24.901 1.00 20.64 C ATOM 509 CE LYS H 52B -13.661 13.262 25.908 1.00 23.28 C ATOM 510 NZ LYS H 52B -14.271 14.609 26.008 1.00 27.12 N ATOM 511 HZ1 LYS H 52B -13.548 15.294 26.307 1.00 0.00 H ATOM 512 HZ2 LYS H 52B -14.650 14.886 25.080 1.00 0.00 H ATOM 513 HZ3 LYS H 52B -15.041 14.588 26.707 1.00 0.00 H ATOM 514 H LYS H 52B -9.369 10.580 22.023 1.00 0.00 H ATOM 515 N SER H 52C -12.504 10.387 20.586 1.00 14.18 N ATOM 516 CA SER H 52C -13.680 10.270 19.726 1.00 15.12 C ATOM 517 C SER H 52C -13.969 8.814 19.346 1.00 15.50 C ATOM 518 O SER H 52C -15.034 8.524 18.797 1.00 16.68 O ATOM 519 CB SER H 52C -13.460 11.109 18.485 1.00 15.26 C ATOM 520 OG SER H 52C -12.238 10.742 17.881 1.00 15.12 O ATOM 521 HG SER H 52C -11.497 10.894 18.519 1.00 0.00 H ATOM 522 H SER H 52C -11.621 10.789 20.212 1.00 0.00 H ATOM 523 N ASN H 53 -13.010 7.913 19.606 1.00 14.94 N ATOM 524 CA ASN H 53 -13.217 6.468 19.445 1.00 15.53 C ATOM 525 C ASN H 53 -13.524 5.759 20.760 1.00 16.22 C ATOM 526 O ASN H 53 -13.374 4.534 20.862 1.00 16.50 O ATOM 527 CB ASN H 53 -11.973 5.823 18.804 1.00 15.14 C ATOM 528 CG ASN H 53 -11.487 6.585 17.589 1.00 14.83 C ATOM 529 OD1 ASN H 53 -10.362 7.055 17.554 1.00 13.59 O ATOM 530 ND2 ASN H 53 -12.371 6.752 16.588 1.00 15.81 N ATOM 531 HD22 ASN H 53 -13.321 6.334 16.658 1.00 0.00 H ATOM 532 HD21 ASN H 53 -12.104 7.299 15.745 1.00 0.00 H ATOM 533 H ASN H 53 -12.083 8.251 19.935 1.00 0.00 H ATOM 534 N ASN H 54 -13.935 6.526 21.766 1.00 16.97 N ATOM 535 CA ASN H 54 -14.190 5.992 23.104 1.00 17.85 C ATOM 536 C ASN H 54 -12.941 5.278 23.667 1.00 15.29 C ATOM 537 O ASN H 54 -13.037 4.302 24.406 1.00 15.08 O ATOM 538 CB ASN H 54 -15.430 5.075 23.038 1.00 21.14 C ATOM 539 CG ASN H 54 -16.683 5.829 22.595 1.00 24.71 C ATOM 540 OD1 ASN H 54 -16.880 6.994 22.950 1.00 28.04 O ATOM 541 ND2 ASN H 54 -17.543 5.162 21.826 1.00 28.10 N ATOM 542 HD22 ASN H 54 -17.340 4.181 21.549 1.00 0.00 H ATOM 543 HD21 ASN H 54 -18.418 5.623 21.503 1.00 0.00 H ATOM 544 H ASN H 54 -14.080 7.542 21.595 1.00 0.00 H ATOM 545 N TYR H 55 -11.762 5.772 23.281 1.00 13.53 N ATOM 546 CA TYR H 55 -10.492 5.207 23.728 1.00 12.59 C ATOM 547 C TYR H 55 -10.367 3.707 23.444 1.00 12.36 C ATOM 548 O TYR H 55 -9.792 2.956 24.234 1.00 11.87 O ATOM 549 CB TYR H 55 -10.288 5.507 25.208 1.00 12.63 C ATOM 550 CG TYR H 55 -10.264 6.983 25.541 1.00 12.62 C ATOM 551 CD1 TYR H 55 -9.199 7.777 25.147 1.00 12.98 C ATOM 552 CD2 TYR H 55 -11.294 7.577 26.290 1.00 13.38 C ATOM 553 CE1 TYR H 55 -9.156 9.128 25.457 1.00 13.40 C ATOM 554 CE2 TYR H 55 -11.259 8.929 26.620 1.00 13.83 C ATOM 555 CZ TYR H 55 -10.182 9.693 26.213 1.00 14.19 C ATOM 556 OH TYR H 55 -10.115 11.031 26.525 1.00 15.59 O ATOM 557 HH TYR H 55 -9.280 11.414 26.155 1.00 0.00 H ATOM 558 H TYR H 55 -11.748 6.589 22.638 1.00 0.00 H ATOM 559 N ALA H 56 -10.893 3.276 22.303 1.00 12.28 N ATOM 560 CA ALA H 56 -10.914 1.852 21.962 1.00 12.89 C ATOM 561 C ALA H 56 -9.518 1.258 21.977 1.00 12.55 C ATOM 562 O ALA H 56 -8.566 1.873 21.526 1.00 11.28 O ATOM 563 CB ALA H 56 -11.534 1.645 20.601 1.00 13.13 C ATOM 564 H ALA H 56 -11.299 3.965 21.638 1.00 0.00 H ATOM 565 N THR H 57 -9.421 0.043 22.494 1.00 12.62 N ATOM 566 CA THR H 57 -8.138 -0.657 22.574 1.00 12.87 C ATOM 567 C THR H 57 -8.129 -1.986 21.832 1.00 13.42 C ATOM 568 O THR H 57 -9.177 -2.582 21.568 1.00 14.27 O ATOM 569 CB THR H 57 -7.758 -0.946 24.044 1.00 12.94 C ATOM 570 OG1 THR H 57 -8.760 -1.785 24.660 1.00 13.31 O ATOM 571 CG2 THR H 57 -7.592 0.340 24.830 1.00 13.10 C ATOM 572 HG1 THR H 57 -8.507 -1.963 25.600 1.00 0.00 H ATOM 573 H THR H 57 -10.278 -0.426 22.852 1.00 0.00 H ATOM 574 N HIS H 58 -6.924 -2.443 21.486 1.00 12.93 N ATOM 575 CA HIS H 58 -6.744 -3.805 20.995 1.00 12.92 C ATOM 576 C HIS H 58 -5.386 -4.303 21.462 1.00 12.31 C ATOM 577 O HIS H 58 -4.459 -3.507 21.689 1.00 11.00 O ATOM 578 CB HIS H 58 -6.858 -3.862 19.472 1.00 13.28 C ATOM 579 CG HIS H 58 -7.139 -5.230 18.938 1.00 13.87 C ATOM 580 ND1 HIS H 58 -8.404 -5.783 18.926 1.00 14.48 N ATOM 581 CD2 HIS H 58 -6.315 -6.158 18.399 1.00 14.23 C ATOM 582 CE1 HIS H 58 -8.341 -6.991 18.388 1.00 15.07 C ATOM 583 NE2 HIS H 58 -7.083 -7.243 18.065 1.00 14.57 N ATOM 584 H HIS H 58 -6.098 -1.817 21.568 1.00 0.00 H ATOM 585 N TYR H 59 -5.297 -5.621 21.634 1.00 12.31 N ATOM 586 CA TYR H 59 -4.139 -6.296 22.251 1.00 12.09 C ATOM 587 C TYR H 59 -3.616 -7.439 21.409 1.00 12.68 C ATOM 588 O TYR H 59 -4.383 -8.095 20.693 1.00 13.35 O ATOM 589 CB TYR H 59 -4.543 -6.862 23.605 1.00 11.84 C ATOM 590 CG TYR H 59 -4.952 -5.784 24.554 1.00 11.17 C ATOM 591 CD1 TYR H 59 -3.998 -5.080 25.268 1.00 10.69 C ATOM 592 CD2 TYR H 59 -6.280 -5.396 24.667 1.00 11.21 C ATOM 593 CE1 TYR H 59 -4.362 -4.070 26.113 1.00 10.37 C ATOM 594 CE2 TYR H 59 -6.657 -4.362 25.503 1.00 10.74 C ATOM 595 CZ TYR H 59 -5.699 -3.705 26.229 1.00 10.28 C ATOM 596 OH TYR H 59 -6.040 -2.646 27.060 1.00 10.75 O ATOM 597 HH TYR H 59 -6.679 -2.960 27.748 1.00 0.00 H ATOM 598 H TYR H 59 -6.092 -6.210 21.314 1.00 0.00 H ATOM 599 N ALA H 60 -2.317 -7.697 21.510 1.00 13.01 N ATOM 600 CA ALA H 60 -1.775 -8.977 21.036 1.00 13.50 C ATOM 601 C ALA H 60 -2.408 -10.133 21.816 1.00 14.63 C ATOM 602 O ALA H 60 -2.676 -10.020 23.015 1.00 13.68 O ATOM 603 CB ALA H 60 -0.262 -9.011 21.200 1.00 13.35 C ATOM 604 H ALA H 60 -1.680 -6.989 21.927 1.00 0.00 H ATOM 605 N GLU H 61 -2.629 -11.256 21.135 1.00 15.75 N ATOM 606 CA GLU H 61 -3.223 -12.413 21.797 1.00 18.20 C ATOM 607 C GLU H 61 -2.398 -12.857 23.003 1.00 17.38 C ATOM 608 O GLU H 61 -2.964 -13.300 23.991 1.00 17.97 O ATOM 609 CB GLU H 61 -3.420 -13.585 20.806 1.00 20.36 C ATOM 610 CG GLU H 61 -4.285 -14.731 21.318 1.00 24.80 C ATOM 611 CD GLU H 61 -5.725 -14.338 21.629 1.00 26.84 C ATOM 612 OE1 GLU H 61 -6.298 -13.446 20.937 1.00 28.46 O ATOM 613 OE2 GLU H 61 -6.288 -14.940 22.575 1.00 31.58 O ATOM 614 H GLU H 61 -2.377 -11.309 20.127 1.00 0.00 H ATOM 615 N SER H 62 -1.077 -12.682 22.935 1.00 17.31 N ATOM 616 CA SER H 62 -0.158 -13.075 24.015 1.00 17.44 C ATOM 617 C SER H 62 -0.383 -12.349 25.350 1.00 17.10 C ATOM 618 O SER H 62 -0.034 -12.874 26.409 1.00 17.14 O ATOM 619 CB SER H 62 1.290 -12.839 23.562 1.00 17.11 C ATOM 620 OG SER H 62 1.497 -11.489 23.225 1.00 18.17 O ATOM 621 HG SER H 62 2.436 -11.362 22.937 1.00 0.00 H ATOM 622 H SER H 62 -0.678 -12.247 22.078 1.00 0.00 H ATOM 623 N VAL H 63 -0.975 -11.157 25.297 1.00 15.71 N ATOM 624 CA VAL H 63 -1.203 -10.378 26.504 1.00 15.52 C ATOM 625 C VAL H 63 -2.669 -10.087 26.830 1.00 16.43 C ATOM 626 O VAL H 63 -2.965 -9.512 27.878 1.00 15.71 O ATOM 627 CB VAL H 63 -0.432 -9.031 26.472 1.00 14.59 C ATOM 628 CG1 VAL H 63 1.039 -9.255 26.124 1.00 14.61 C ATOM 629 CG2 VAL H 63 -1.081 -8.039 25.506 1.00 14.13 C ATOM 630 H VAL H 63 -1.279 -10.777 24.378 1.00 0.00 H ATOM 631 N LYS H 64 -3.585 -10.483 25.957 1.00 17.99 N ATOM 632 CA LYS H 64 -5.002 -10.152 26.103 1.00 19.13 C ATOM 633 C LYS H 64 -5.523 -10.756 27.414 1.00 19.72 C ATOM 634 O LYS H 64 -5.216 -11.898 27.729 1.00 20.35 O ATOM 635 CB LYS H 64 -5.785 -10.717 24.902 1.00 20.29 C ATOM 636 CG LYS H 64 -7.098 -10.026 24.572 1.00 21.66 C ATOM 637 CD LYS H 64 -7.782 -10.685 23.367 1.00 22.72 C ATOM 638 CE LYS H 64 -9.198 -10.161 23.186 1.00 22.78 C ATOM 639 NZ LYS H 64 -9.918 -10.848 22.079 1.00 23.30 N ATOM 640 HZ1 LYS H 64 -9.403 -10.700 21.188 1.00 0.00 H ATOM 641 HZ2 LYS H 64 -9.975 -11.866 22.283 1.00 0.00 H ATOM 642 HZ3 LYS H 64 -10.878 -10.456 21.995 1.00 0.00 H ATOM 643 H LYS H 64 -3.285 -11.050 25.138 1.00 0.00 H ATOM 644 N GLY H 65 -6.279 -9.969 28.171 1.00 19.01 N ATOM 645 CA GLY H 65 -6.774 -10.374 29.488 1.00 19.43 C ATOM 646 C GLY H 65 -5.815 -10.164 30.650 1.00 18.38 C ATOM 647 O GLY H 65 -6.216 -10.342 31.816 1.00 20.24 O ATOM 648 H GLY H 65 -6.530 -9.025 27.813 1.00 0.00 H ATOM 649 N ARG H 66 -4.558 -9.834 30.357 1.00 17.35 N ATOM 650 CA ARG H 66 -3.568 -9.552 31.400 1.00 16.73 C ATOM 651 C ARG H 66 -3.033 -8.111 31.382 1.00 15.46 C ATOM 652 O ARG H 66 -2.675 -7.575 32.431 1.00 15.07 O ATOM 653 CB ARG H 66 -2.411 -10.536 31.296 1.00 18.04 C ATOM 654 CG ARG H 66 -2.833 -12.020 31.232 1.00 19.57 C ATOM 655 CD ARG H 66 -1.815 -12.792 30.396 1.00 21.61 C ATOM 656 NE ARG H 66 -0.572 -12.510 31.012 1.00 23.52 N ATOM 657 CZ ARG H 66 0.603 -12.257 30.456 1.00 21.94 C ATOM 658 NH1 ARG H 66 0.878 -12.341 29.151 1.00 21.42 N ATOM 659 NH2 ARG H 66 1.555 -11.943 31.310 1.00 20.99 N ATOM 660 HE ARG H 66 -0.583 -12.500 32.052 1.00 0.00 H ATOM 661 HH12 ARG H 66 1.834 -12.122 28.806 1.00 0.00 H ATOM 662 HH11 ARG H 66 0.136 -12.625 28.480 1.00 0.00 H ATOM 663 HH22 ARG H 66 2.512 -11.728 30.965 1.00 0.00 H ATOM 664 HH21 ARG H 66 1.349 -11.910 32.329 1.00 0.00 H ATOM 665 H ARG H 66 -4.271 -9.775 29.359 1.00 0.00 H ATOM 666 N PHE H 67 -2.949 -7.502 30.201 1.00 14.06 N ATOM 667 CA PHE H 67 -2.383 -6.150 30.058 1.00 13.14 C ATOM 668 C PHE H 67 -3.512 -5.182 29.733 1.00 12.89 C ATOM 669 O PHE H 67 -4.479 -5.542 29.031 1.00 14.11 O ATOM 670 CB PHE H 67 -1.338 -6.072 28.932 1.00 12.72 C ATOM 671 CG PHE H 67 -0.003 -6.726 29.228 1.00 12.98 C ATOM 672 CD1 PHE H 67 0.184 -7.636 30.277 1.00 13.48 C ATOM 673 CD2 PHE H 67 1.077 -6.488 28.376 1.00 13.01 C ATOM 674 CE1 PHE H 67 1.414 -8.251 30.470 1.00 13.59 C ATOM 675 CE2 PHE H 67 2.309 -7.090 28.592 1.00 13.47 C ATOM 676 CZ PHE H 67 2.469 -7.980 29.630 1.00 13.60 C ATOM 677 H PHE H 67 -3.294 -7.996 29.353 1.00 0.00 H ATOM 678 N THR H 68 -3.393 -3.956 30.235 1.00 11.75 N ATOM 679 CA THR H 68 -4.348 -2.901 29.920 1.00 11.66 C ATOM 680 C THR H 68 -3.579 -1.651 29.532 1.00 11.00 C ATOM 681 O THR H 68 -2.759 -1.138 30.309 1.00 10.48 O ATOM 682 CB THR H 68 -5.312 -2.599 31.083 1.00 12.57 C ATOM 683 OG1 THR H 68 -5.951 -3.827 31.483 1.00 13.38 O ATOM 684 CG2 THR H 68 -6.358 -1.557 30.659 1.00 12.64 C ATOM 685 HG1 THR H 68 -6.574 -3.645 32.231 1.00 0.00 H ATOM 686 H THR H 68 -2.597 -3.744 30.870 1.00 0.00 H ATOM 687 N ILE H 69 -3.859 -1.169 28.326 1.00 10.96 N ATOM 688 CA ILE H 69 -3.306 0.097 27.840 1.00 10.37 C ATOM 689 C ILE H 69 -4.351 1.190 28.160 1.00 10.41 C ATOM 690 O ILE H 69 -5.564 0.969 28.051 1.00 9.76 O ATOM 691 CB ILE H 69 -2.952 0.043 26.316 1.00 10.53 C ATOM 692 CG1 ILE H 69 -2.221 1.323 25.858 1.00 10.18 C ATOM 693 CG2 ILE H 69 -4.178 -0.167 25.443 1.00 10.38 C ATOM 694 CD1 ILE H 69 -1.761 1.323 24.405 1.00 10.25 C ATOM 695 H ILE H 69 -4.494 -1.710 27.705 1.00 0.00 H ATOM 696 N SER H 70 -3.878 2.360 28.602 1.00 10.05 N ATOM 697 CA SER H 70 -4.752 3.493 28.848 1.00 10.42 C ATOM 698 C SER H 70 -4.001 4.779 28.580 1.00 10.06 C ATOM 699 O SER H 70 -2.784 4.770 28.409 1.00 10.42 O ATOM 700 CB SER H 70 -5.257 3.484 30.300 1.00 10.63 C ATOM 701 OG SER H 70 -4.153 3.598 31.199 1.00 11.12 O ATOM 702 HG SER H 70 -3.537 2.835 31.062 1.00 0.00 H ATOM 703 H SER H 70 -2.857 2.461 28.774 1.00 0.00 H ATOM 704 N ARG H 71 -4.732 5.872 28.493 1.00 9.99 N ATOM 705 CA ARG H 71 -4.128 7.175 28.208 1.00 9.99 C ATOM 706 C ARG H 71 -4.795 8.271 29.045 1.00 10.39 C ATOM 707 O ARG H 71 -5.964 8.151 29.466 1.00 9.98 O ATOM 708 CB ARG H 71 -4.196 7.508 26.715 1.00 10.08 C ATOM 709 CG ARG H 71 -5.605 7.722 26.160 1.00 10.10 C ATOM 710 CD ARG H 71 -5.582 7.811 24.645 1.00 10.15 C ATOM 711 NE ARG H 71 -4.769 8.904 24.111 1.00 10.31 N ATOM 712 CZ ARG H 71 -4.273 8.935 22.864 1.00 10.20 C ATOM 713 NH1 ARG H 71 -4.494 7.920 22.015 1.00 9.53 N ATOM 714 NH2 ARG H 71 -3.522 9.957 22.476 1.00 10.17 N ATOM 715 HE ARG H 71 -4.562 9.708 24.737 1.00 0.00 H ATOM 716 HH12 ARG H 71 -4.105 7.954 21.051 1.00 0.00 H ATOM 717 HH11 ARG H 71 -5.054 7.099 22.321 1.00 0.00 H ATOM 718 HH22 ARG H 71 -3.137 9.982 21.510 1.00 0.00 H ATOM 719 HH21 ARG H 71 -3.318 10.733 23.138 1.00 0.00 H ATOM 720 H ARG H 71 -5.761 5.808 28.630 1.00 0.00 H ATOM 721 N ASP H 72 -4.017 9.321 29.290 1.00 10.70 N ATOM 722 CA ASP H 72 -4.503 10.524 29.937 1.00 11.35 C ATOM 723 C ASP H 72 -4.052 11.658 29.062 1.00 11.45 C ATOM 724 O ASP H 72 -2.901 12.094 29.134 1.00 11.65 O ATOM 725 CB ASP H 72 -3.949 10.651 31.363 1.00 12.27 C ATOM 726 CG ASP H 72 -4.501 11.860 32.100 1.00 13.37 C ATOM 727 OD1 ASP H 72 -5.072 12.747 31.447 1.00 13.33 O ATOM 728 OD2 ASP H 72 -4.380 11.919 33.348 1.00 15.65 O ATOM 729 H ASP H 72 -3.018 9.278 29.006 1.00 0.00 H ATOM 730 N ASP H 73 -4.956 12.130 28.215 1.00 11.52 N ATOM 731 CA ASP H 73 -4.614 13.176 27.273 1.00 11.99 C ATOM 732 C ASP H 73 -4.279 14.487 28.008 1.00 12.50 C ATOM 733 O ASP H 73 -3.462 15.270 27.524 1.00 13.24 O ATOM 734 CB ASP H 73 -5.753 13.403 26.282 1.00 11.79 C ATOM 735 CG ASP H 73 -5.936 12.246 25.320 1.00 12.03 C ATOM 736 OD1 ASP H 73 -4.959 11.505 25.056 1.00 11.85 O ATOM 737 OD2 ASP H 73 -7.064 12.122 24.815 1.00 12.38 O ATOM 738 H ASP H 73 -5.922 11.745 28.227 1.00 0.00 H ATOM 739 N SER H 74 -4.902 14.725 29.164 1.00 13.12 N ATOM 740 CA SER H 74 -4.576 15.931 29.948 1.00 14.01 C ATOM 741 C SER H 74 -3.126 15.958 30.446 1.00 15.08 C ATOM 742 O SER H 74 -2.621 17.033 30.797 1.00 16.83 O ATOM 743 CB SER H 74 -5.508 16.083 31.156 1.00 14.10 C ATOM 744 OG SER H 74 -5.172 15.183 32.197 1.00 13.81 O ATOM 745 HG SER H 74 -5.243 14.253 31.864 1.00 0.00 H ATOM 746 H SER H 74 -5.620 14.058 29.513 1.00 0.00 H ATOM 747 N LYS H 75 -2.479 14.792 30.510 1.00 15.09 N ATOM 748 CA LYS H 75 -1.091 14.670 30.951 1.00 15.54 C ATOM 749 C LYS H 75 -0.188 14.219 29.781 1.00 14.44 C ATOM 750 O LYS H 75 0.968 13.871 29.998 1.00 13.80 O ATOM 751 CB LYS H 75 -0.979 13.643 32.086 1.00 17.03 C ATOM 752 CG LYS H 75 -1.667 13.964 33.418 1.00 19.37 C ATOM 753 CD LYS H 75 -1.415 12.809 34.400 1.00 21.36 C ATOM 754 CE LYS H 75 -2.182 12.905 35.718 1.00 23.04 C ATOM 755 NZ LYS H 75 -2.051 11.666 36.564 1.00 24.30 N ATOM 756 HZ1 LYS H 75 -2.423 10.849 36.039 1.00 0.00 H ATOM 757 HZ2 LYS H 75 -1.049 11.507 36.791 1.00 0.00 H ATOM 758 HZ3 LYS H 75 -2.592 11.790 37.444 1.00 0.00 H ATOM 759 H LYS H 75 -2.988 13.928 30.232 1.00 0.00 H ATOM 760 N SER H 76 -0.728 14.194 28.567 1.00 13.70 N ATOM 761 CA SER H 76 -0.013 13.673 27.376 1.00 12.96 C ATOM 762 C SER H 76 0.704 12.360 27.665 1.00 12.27 C ATOM 763 O SER H 76 1.852 12.161 27.243 1.00 11.72 O ATOM 764 CB SER H 76 0.982 14.712 26.834 1.00 13.63 C ATOM 765 OG SER H 76 0.298 15.900 26.462 1.00 15.08 O ATOM 766 HG SER H 76 -0.367 15.690 25.759 1.00 0.00 H ATOM 767 H SER H 76 -1.695 14.556 28.446 1.00 0.00 H ATOM 768 N SER H 77 0.000 11.434 28.327 1.00 11.48 N ATOM 769 CA SER H 77 0.617 10.209 28.784 1.00 11.37 C ATOM 770 C SER H 77 -0.160 8.974 28.370 1.00 10.83 C ATOM 771 O SER H 77 -1.392 8.979 28.326 1.00 10.86 O ATOM 772 CB SER H 77 0.777 10.213 30.298 1.00 11.64 C ATOM 773 OG SER H 77 1.669 11.243 30.731 1.00 12.30 O ATOM 774 HG SER H 77 1.314 12.124 30.452 1.00 0.00 H ATOM 775 H SER H 77 -1.009 11.599 28.516 1.00 0.00 H ATOM 776 N VAL H 78 0.597 7.924 28.072 1.00 10.74 N ATOM 777 CA VAL H 78 0.058 6.594 27.817 1.00 10.51 C ATOM 778 C VAL H 78 0.674 5.634 28.830 1.00 10.29 C ATOM 779 O VAL H 78 1.821 5.819 29.260 1.00 10.06 O ATOM 780 CB VAL H 78 0.285 6.132 26.349 1.00 10.95 C ATOM 781 CG1 VAL H 78 1.743 5.966 26.019 1.00 11.79 C ATOM 782 CG2 VAL H 78 -0.469 4.852 26.035 1.00 10.56 C ATOM 783 H VAL H 78 1.627 8.058 28.018 1.00 0.00 H ATOM 784 N TYR H 79 -0.101 4.627 29.223 1.00 10.27 N ATOM 785 CA TYR H 79 0.304 3.694 30.266 1.00 10.73 C ATOM 786 C TYR H 79 0.094 2.258 29.847 1.00 10.61 C ATOM 787 O TYR H 79 -0.724 1.970 28.974 1.00 10.34 O ATOM 788 CB TYR H 79 -0.552 3.929 31.504 1.00 11.40 C ATOM 789 CG TYR H 79 -0.541 5.358 31.979 1.00 12.14 C ATOM 790 CD1 TYR H 79 0.499 5.847 32.766 1.00 12.77 C ATOM 791 CD2 TYR H 79 -1.562 6.224 31.637 1.00 13.07 C ATOM 792 CE1 TYR H 79 0.493 7.152 33.210 1.00 13.59 C ATOM 793 CE2 TYR H 79 -1.566 7.539 32.061 1.00 13.52 C ATOM 794 CZ TYR H 79 -0.546 8.001 32.847 1.00 13.65 C ATOM 795 OH TYR H 79 -0.586 9.323 33.273 1.00 16.07 O ATOM 796 HH TYR H 79 0.211 9.514 33.829 1.00 0.00 H ATOM 797 H TYR H 79 -1.029 4.501 28.770 1.00 0.00 H ATOM 798 N LEU H 80 0.818 1.347 30.488 1.00 10.59 N ATOM 799 CA LEU H 80 0.564 -0.072 30.304 1.00 10.85 C ATOM 800 C LEU H 80 0.576 -0.743 31.677 1.00 10.78 C ATOM 801 O LEU H 80 1.632 -0.858 32.309 1.00 10.76 O ATOM 802 CB LEU H 80 1.600 -0.715 29.376 1.00 10.85 C ATOM 803 CG LEU H 80 1.363 -2.173 28.982 1.00 11.00 C ATOM 804 CD1 LEU H 80 0.152 -2.291 28.079 1.00 11.47 C ATOM 805 CD2 LEU H 80 2.588 -2.784 28.336 1.00 11.08 C ATOM 806 H LEU H 80 1.577 1.653 31.130 1.00 0.00 H ATOM 807 N GLN H 81 -0.607 -1.163 32.116 1.00 11.23 N ATOM 808 CA GLN H 81 -0.755 -2.001 33.313 1.00 11.78 C ATOM 809 C GLN H 81 -0.532 -3.458 32.928 1.00 12.75 C ATOM 810 O GLN H 81 -1.196 -3.973 32.042 1.00 12.53 O ATOM 811 CB GLN H 81 -2.131 -1.793 33.944 1.00 12.38 C ATOM 812 CG GLN H 81 -2.373 -2.614 35.197 1.00 12.73 C ATOM 813 CD GLN H 81 -1.434 -2.221 36.319 1.00 13.32 C ATOM 814 OE1 GLN H 81 -1.406 -1.068 36.733 1.00 14.62 O ATOM 815 NE2 GLN H 81 -0.676 -3.184 36.835 1.00 13.73 N ATOM 816 HE22 GLN H 81 -0.731 -4.150 36.453 1.00 0.00 H ATOM 817 HE21 GLN H 81 -0.028 -2.971 37.620 1.00 0.00 H ATOM 818 H GLN H 81 -1.461 -0.887 31.591 1.00 0.00 H ATOM 819 N MET H 82 0.414 -4.118 33.582 1.00 13.61 N ATOM 820 CA MET H 82 0.738 -5.504 33.271 1.00 14.97 C ATOM 821 C MET H 82 0.488 -6.356 34.502 1.00 15.86 C ATOM 822 O MET H 82 0.946 -6.016 35.586 1.00 18.79 O ATOM 823 CB MET H 82 2.192 -5.632 32.887 1.00 16.25 C ATOM 824 CG MET H 82 2.586 -4.746 31.723 1.00 17.19 C ATOM 825 SD MET H 82 4.321 -4.971 31.280 1.00 22.30 S ATOM 826 CE MET H 82 5.109 -4.165 32.621 1.00 20.91 C ATOM 827 H MET H 82 0.939 -3.633 34.338 1.00 0.00 H ATOM 828 N ASN H 82A -0.502 -7.383 34.325 1.00 17.27 N ATOM 829 CA ASN H 82A -0.827 -8.280 35.431 1.00 18.91 C ATOM 830 C ASN H 82A -0.460 -9.702 35.045 1.00 18.33 C ATOM 831 O ASN H 82A -0.243 -10.032 33.888 1.00 16.64 O ATOM 832 CB ASN H 82A -2.298 -8.195 35.785 1.00 21.78 C ATOM 833 CG ASN H 82A -2.760 -6.777 36.055 1.00 24.97 C ATOM 834 OD1 ASN H 82A -2.600 -6.258 37.152 1.00 29.65 O ATOM 835 ND2 ASN H 82A -3.356 -6.148 35.051 1.00 27.95 N ATOM 836 HD22 ASN H 82A -3.472 -6.625 34.134 1.00 0.00 H ATOM 837 HD21 ASN H 82A -3.707 -5.178 35.181 1.00 0.00 H ATOM 838 H ASN H 82A -0.986 -7.487 33.411 1.00 0.00 H ATOM 839 N ASN H 82B -0.339 -10.721 36.347 1.00 22.15 N ATOM 840 CA ASN H 82B -0.183 -12.134 36.041 1.00 24.01 C ATOM 841 C ASN H 82B 1.012 -12.366 35.132 1.00 22.85 C ATOM 842 O ASN H 82B 0.942 -13.033 34.106 1.00 21.12 O ATOM 843 CB ASN H 82B -1.446 -12.678 35.386 1.00 28.03 C ATOM 844 CG ASN H 82B -2.654 -12.551 36.269 1.00 32.79 C ATOM 845 OD1 ASN H 82B -2.535 -12.291 37.477 1.00 37.79 O ATOM 846 ND2 ASN H 82B -3.838 -12.755 35.685 1.00 36.73 N ATOM 847 HD22 ASN H 82B -3.886 -12.970 34.669 1.00 0.00 H ATOM 848 HD21 ASN H 82B -4.711 -12.699 36.247 1.00 0.00 H ATOM 849 H ASN H 82B -0.373 -10.370 37.325 1.00 0.00 H ATOM 850 N LEU H 82C 2.265 -11.465 35.338 1.00 17.03 N ATOM 851 CA LEU H 82C 3.417 -11.479 34.463 1.00 17.33 C ATOM 852 C LEU H 82C 4.010 -12.893 34.352 1.00 18.81 C ATOM 853 O LEU H 82C 3.971 -13.691 35.313 1.00 18.24 O ATOM 854 CB LEU H 82C 4.442 -10.466 34.959 1.00 17.19 C ATOM 855 CG LEU H 82C 4.008 -9.049 34.563 1.00 16.96 C ATOM 856 CD1 LEU H 82C 4.660 -7.962 35.399 1.00 16.69 C ATOM 857 CD2 LEU H 82C 4.277 -8.848 33.075 1.00 17.08 C ATOM 858 H LEU H 82C 2.274 -10.816 36.151 1.00 0.00 H ATOM 859 N ARG H 83 4.500 -13.196 33.156 1.00 20.11 N ATOM 860 CA ARG H 83 5.186 -14.442 32.867 1.00 22.20 C ATOM 861 C ARG H 83 6.604 -14.162 32.397 1.00 22.25 C ATOM 862 O ARG H 83 6.921 -13.067 31.889 1.00 19.83 O ATOM 863 CB ARG H 83 4.486 -15.199 31.739 1.00 25.47 C ATOM 864 CG ARG H 83 3.009 -15.447 31.915 1.00 28.87 C ATOM 865 CD ARG H 83 2.460 -15.990 30.606 1.00 32.34 C ATOM 866 NE ARG H 83 1.010 -16.060 30.620 1.00 36.08 N ATOM 867 CZ ARG H 83 0.246 -16.208 29.541 1.00 39.52 C ATOM 868 NH1 ARG H 83 0.784 -16.304 28.323 1.00 41.62 N ATOM 869 NH2 ARG H 83 -1.073 -16.255 29.681 1.00 42.21 N ATOM 870 HE ARG H 83 0.533 -15.989 31.542 1.00 0.00 H ATOM 871 HH12 ARG H 83 0.171 -16.419 27.491 1.00 0.00 H ATOM 872 HH11 ARG H 83 1.817 -16.263 28.206 1.00 0.00 H ATOM 873 HH22 ARG H 83 -1.681 -16.370 28.845 1.00 0.00 H ATOM 874 HH21 ARG H 83 -1.499 -16.176 30.627 1.00 0.00 H ATOM 875 H ARG H 83 4.387 -12.505 32.387 1.00 0.00 H ATOM 876 N ALA H 84 7.455 -15.181 32.500 1.00 21.89 N ATOM 877 CA ALA H 84 8.805 -15.098 31.948 1.00 22.42 C ATOM 878 C ALA H 84 8.821 -14.553 30.508 1.00 21.44 C ATOM 879 O ALA H 84 9.662 -13.719 30.171 1.00 20.64 O ATOM 880 CB ALA H 84 9.486 -16.463 31.992 1.00 23.31 C ATOM 881 H ALA H 84 7.153 -16.052 32.982 1.00 0.00 H ATOM 882 N GLU H 85 7.883 -14.992 29.669 1.00 20.96 N ATOM 883 CA GLU H 85 7.884 -14.573 28.264 1.00 21.48 C ATOM 884 C GLU H 85 7.575 -13.081 28.071 1.00 18.85 C ATOM 885 O GLU H 85 7.778 -12.548 26.982 1.00 17.88 O ATOM 886 CB GLU H 85 6.973 -15.459 27.392 1.00 24.38 C ATOM 887 CG GLU H 85 5.473 -15.238 27.520 1.00 27.50 C ATOM 888 CD GLU H 85 4.690 -15.714 26.296 1.00 31.65 C ATOM 889 OE1 GLU H 85 5.131 -15.509 25.141 1.00 36.17 O ATOM 890 OE2 GLU H 85 3.602 -16.272 26.493 1.00 35.42 O ATOM 891 H GLU H 85 7.144 -15.637 30.014 1.00 0.00 H ATOM 892 N ASP H 86 7.121 -12.412 29.134 1.00 17.35 N ATOM 893 CA ASP H 86 6.865 -10.956 29.084 1.00 16.39 C ATOM 894 C ASP H 86 8.117 -10.122 29.291 1.00 15.73 C ATOM 895 O ASP H 86 8.090 -8.896 29.098 1.00 14.98 O ATOM 896 CB ASP H 86 5.836 -10.557 30.136 1.00 16.22 C ATOM 897 CG ASP H 86 4.467 -11.173 29.894 1.00 16.64 C ATOM 898 OD1 ASP H 86 3.989 -11.200 28.727 1.00 16.15 O ATOM 899 OD2 ASP H 86 3.856 -11.581 30.906 1.00 17.03 O ATOM 900 H ASP H 86 6.943 -12.928 30.019 1.00 0.00 H ATOM 901 N THR H 87 9.216 -10.763 29.684 1.00 15.54 N ATOM 902 CA THR H 87 10.492 -10.079 29.779 1.00 15.69 C ATOM 903 C THR H 87 10.857 -9.376 28.469 1.00 15.21 C ATOM 904 O THR H 87 10.724 -9.955 27.401 1.00 15.27 O ATOM 905 CB THR H 87 11.612 -11.059 30.171 1.00 16.71 C ATOM 906 OG1 THR H 87 11.364 -11.551 31.494 1.00 17.77 O ATOM 907 CG2 THR H 87 12.973 -10.388 30.150 1.00 17.06 C ATOM 908 HG1 THR H 87 10.491 -12.018 31.513 1.00 0.00 H ATOM 909 H THR H 87 9.159 -11.773 29.927 1.00 0.00 H ATOM 910 N GLY H 88 11.340 -8.138 28.565 1.00 14.95 N ATOM 911 CA GLY H 88 11.780 -7.403 27.369 1.00 14.61 C ATOM 912 C GLY H 88 11.868 -5.903 27.603 1.00 14.26 C ATOM 913 O GLY H 88 11.594 -5.431 28.693 1.00 14.08 O ATOM 914 H GLY H 88 11.407 -7.685 29.499 1.00 0.00 H ATOM 915 N ILE H 89 12.281 -5.176 26.563 1.00 13.57 N ATOM 916 CA ILE H 89 12.344 -3.725 26.596 1.00 13.55 C ATOM 917 C ILE H 89 11.040 -3.256 25.969 1.00 12.81 C ATOM 918 O ILE H 89 10.700 -3.695 24.859 1.00 12.65 O ATOM 919 CB ILE H 89 13.534 -3.171 25.786 1.00 14.43 C ATOM 920 CG1 ILE H 89 14.862 -3.756 26.279 1.00 15.52 C ATOM 921 CG2 ILE H 89 13.574 -1.651 25.877 1.00 14.28 C ATOM 922 CD1 ILE H 89 16.087 -3.298 25.497 1.00 16.40 C ATOM 923 H ILE H 89 12.570 -5.668 25.693 1.00 0.00 H ATOM 924 N TYR H 90 10.313 -2.408 26.697 1.00 12.18 N ATOM 925 CA TYR H 90 8.997 -1.924 26.293 1.00 11.78 C ATOM 926 C TYR H 90 9.094 -0.487 25.818 1.00 11.50 C ATOM 927 O TYR H 90 9.667 0.382 26.514 1.00 11.37 O ATOM 928 CB TYR H 90 7.995 -2.031 27.455 1.00 11.70 C ATOM 929 CG TYR H 90 7.526 -3.442 27.690 1.00 12.05 C ATOM 930 CD1 TYR H 90 8.394 -4.407 28.190 1.00 12.35 C ATOM 931 CD2 TYR H 90 6.220 -3.818 27.386 1.00 11.85 C ATOM 932 CE1 TYR H 90 7.972 -5.708 28.401 1.00 12.73 C ATOM 933 CE2 TYR H 90 5.781 -5.126 27.582 1.00 12.11 C ATOM 934 CZ TYR H 90 6.657 -6.072 28.088 1.00 12.77 C ATOM 935 OH TYR H 90 6.193 -7.373 28.278 1.00 12.99 O ATOM 936 HH TYR H 90 6.924 -7.933 28.642 1.00 0.00 H ATOM 937 H TYR H 90 10.705 -2.074 27.601 1.00 0.00 H ATOM 938 N TYR H 91 8.566 -0.250 24.621 1.00 11.25 N ATOM 939 CA TYR H 91 8.571 1.072 23.991 1.00 11.35 C ATOM 940 C TYR H 91 7.144 1.546 23.769 1.00 11.09 C ATOM 941 O TYR H 91 6.293 0.796 23.297 1.00 9.97 O ATOM 942 CB TYR H 91 9.251 1.039 22.617 1.00 11.61 C ATOM 943 CG TYR H 91 10.631 0.460 22.623 1.00 12.39 C ATOM 944 CD1 TYR H 91 10.829 -0.912 22.442 1.00 12.86 C ATOM 945 CD2 TYR H 91 11.742 1.269 22.831 1.00 12.90 C ATOM 946 CE1 TYR H 91 12.101 -1.452 22.488 1.00 13.76 C ATOM 947 CE2 TYR H 91 13.025 0.734 22.861 1.00 13.74 C ATOM 948 CZ TYR H 91 13.189 -0.617 22.689 1.00 14.24 C ATOM 949 OH TYR H 91 14.451 -1.179 22.713 1.00 16.11 O ATOM 950 HH TYR H 91 14.378 -2.156 22.573 1.00 0.00 H ATOM 951 H TYR H 91 8.128 -1.041 24.107 1.00 0.00 H ATOM 952 N CYS H 92 6.916 2.818 24.028 1.00 11.42 N ATOM 953 CA CYS H 92 5.710 3.489 23.541 1.00 12.02 C ATOM 954 C CYS H 92 6.061 4.112 22.201 1.00 11.11 C ATOM 955 O CYS H 92 7.149 4.657 22.028 1.00 11.11 O ATOM 956 CB CYS H 92 5.196 4.540 24.524 1.00 13.86 C ATOM 957 SG CYS H 92 6.441 5.756 24.962 1.00 18.44 S ATOM 958 H CYS H 92 7.607 3.356 24.590 1.00 0.00 H ATOM 959 N THR H 93 5.142 4.031 21.242 1.00 9.85 N ATOM 960 CA THR H 93 5.423 4.492 19.895 1.00 9.42 C ATOM 961 C THR H 93 4.135 4.802 19.159 1.00 8.95 C ATOM 962 O THR H 93 3.109 4.149 19.387 1.00 8.58 O ATOM 963 CB THR H 93 6.260 3.449 19.117 1.00 9.39 C ATOM 964 OG1 THR H 93 6.408 3.849 17.751 1.00 9.51 O ATOM 965 CG2 THR H 93 5.622 2.034 19.163 1.00 9.47 C ATOM 966 HG1 THR H 93 6.867 4.725 17.713 1.00 0.00 H ATOM 967 H THR H 93 4.207 3.631 21.461 1.00 0.00 H ATOM 968 N GLY H 94 4.202 5.786 18.277 1.00 8.71 N ATOM 969 CA GLY H 94 3.065 6.121 17.436 1.00 8.66 C ATOM 970 C GLY H 94 3.395 7.168 16.408 1.00 8.94 C ATOM 971 O GLY H 94 4.556 7.561 16.264 1.00 9.31 O ATOM 972 H GLY H 94 5.084 6.329 18.184 1.00 0.00 H ATOM 973 N VAL H 95 2.344 7.614 15.733 1.00 9.00 N ATOM 974 CA VAL H 95 2.350 8.640 14.686 1.00 9.52 C ATOM 975 C VAL H 95 2.777 8.092 13.310 1.00 9.87 C ATOM 976 O VAL H 95 3.958 7.777 13.073 1.00 10.07 O ATOM 977 CB VAL H 95 3.188 9.902 15.053 1.00 9.94 C ATOM 978 CG1 VAL H 95 3.038 10.957 13.968 1.00 10.04 C ATOM 979 CG2 VAL H 95 2.729 10.482 16.382 1.00 9.97 C ATOM 980 H VAL H 95 1.423 7.193 15.970 1.00 0.00 H ATOM 981 N GLY H 96 1.792 7.959 12.428 1.00 9.82 N ATOM 982 CA GLY H 96 1.999 7.713 10.999 1.00 10.51 C ATOM 983 C GLY H 96 2.876 6.559 10.483 1.00 10.53 C ATOM 984 O GLY H 96 3.520 6.766 9.461 1.00 11.86 O ATOM 985 H GLY H 96 0.814 8.034 12.774 1.00 0.00 H ATOM 986 N GLN H 97 2.966 5.360 11.081 1.00 9.85 N ATOM 987 CA GLN H 97 2.303 4.913 12.289 1.00 9.34 C ATOM 988 C GLN H 97 3.265 4.659 13.454 1.00 8.98 C ATOM 989 O GLN H 97 2.808 4.490 14.587 1.00 8.54 O ATOM 990 CB GLN H 97 1.533 3.633 11.983 1.00 9.28 C ATOM 991 CG GLN H 97 0.287 3.836 11.135 1.00 9.46 C ATOM 992 CD GLN H 97 0.526 4.199 9.673 1.00 10.13 C ATOM 993 OE1 GLN H 97 1.316 3.573 8.961 1.00 10.46 O ATOM 994 NE2 GLN H 97 -0.196 5.208 9.210 1.00 10.25 N ATOM 995 HE22 GLN H 97 -0.851 5.711 9.841 1.00 0.00 H ATOM 996 HE21 GLN H 97 -0.108 5.497 8.215 1.00 0.00 H ATOM 997 H GLN H 97 3.589 4.666 10.620 1.00 0.00 H ATOM 998 N PHE H 98 4.577 4.629 13.188 1.00 9.15 N ATOM 999 CA PHE H 98 5.597 4.363 14.215 1.00 9.20 C ATOM 1000 C PHE H 98 6.763 5.356 14.052 1.00 9.48 C ATOM 1001 O PHE H 98 7.949 5.035 14.220 1.00 9.87 O ATOM 1002 CB PHE H 98 6.122 2.937 14.127 1.00 9.53 C ATOM 1003 CG PHE H 98 5.079 1.888 14.385 1.00 9.36 C ATOM 1004 CD1 PHE H 98 4.677 1.583 15.682 1.00 9.50 C ATOM 1005 CD2 PHE H 98 4.481 1.225 13.328 1.00 9.52 C ATOM 1006 CE1 PHE H 98 3.731 0.594 15.917 1.00 9.41 C ATOM 1007 CE2 PHE H 98 3.504 0.270 13.558 1.00 9.74 C ATOM 1008 CZ PHE H 98 3.126 -0.035 14.854 1.00 9.49 C ATOM 1009 H PHE H 98 4.889 4.802 12.211 1.00 0.00 H ATOM 1010 N ALA H 101 6.343 6.722 13.836 1.00 10.05 N ATOM 1011 CA ALA H 101 7.411 7.709 13.662 1.00 10.47 C ATOM 1012 C ALA H 101 8.266 7.853 14.900 1.00 10.86 C ATOM 1013 O ALA H 101 9.487 7.922 14.812 1.00 11.47 O ATOM 1014 CB ALA H 101 6.818 9.051 13.292 1.00 10.72 C ATOM 1015 H ALA H 101 5.338 6.989 13.806 1.00 0.00 H ATOM 1016 N TYR H 102 7.615 7.900 16.056 1.00 11.07 N ATOM 1017 CA TYR H 102 8.263 8.264 17.294 1.00 11.54 C ATOM 1018 C TYR H 102 8.299 7.095 18.241 1.00 10.97 C ATOM 1019 O TYR H 102 7.313 6.391 18.396 1.00 9.79 O ATOM 1020 CB TYR H 102 7.502 9.406 17.948 1.00 12.82 C ATOM 1021 CG TYR H 102 7.325 10.625 17.071 1.00 14.10 C ATOM 1022 CD1 TYR H 102 8.382 11.135 16.326 1.00 15.42 C ATOM 1023 CD2 TYR H 102 6.114 11.297 17.026 1.00 15.05 C ATOM 1024 CE1 TYR H 102 8.217 12.252 15.529 1.00 16.61 C ATOM 1025 CE2 TYR H 102 5.952 12.433 16.252 1.00 16.10 C ATOM 1026 CZ TYR H 102 7.001 12.902 15.503 1.00 16.78 C ATOM 1027 OH TYR H 102 6.839 14.064 14.750 1.00 18.19 O ATOM 1028 HH TYR H 102 7.682 14.266 14.271 1.00 0.00 H ATOM 1029 H TYR H 102 6.602 7.666 16.070 1.00 0.00 H ATOM 1030 N TRP H 103 9.451 6.905 18.874 1.00 11.18 N ATOM 1031 CA TRP H 103 9.656 5.843 19.835 1.00 11.06 C ATOM 1032 C TRP H 103 10.264 6.429 21.094 1.00 11.48 C ATOM 1033 O TRP H 103 11.160 7.274 21.018 1.00 12.19 O ATOM 1034 CB TRP H 103 10.650 4.820 19.258 1.00 10.98 C ATOM 1035 CG TRP H 103 10.074 4.018 18.110 1.00 10.61 C ATOM 1036 CD1 TRP H 103 9.734 4.493 16.870 1.00 10.67 C ATOM 1037 CD2 TRP H 103 9.718 2.623 18.121 1.00 10.22 C ATOM 1038 NE1 TRP H 103 9.195 3.471 16.112 1.00 10.34 N ATOM 1039 CE2 TRP H 103 9.195 2.318 16.849 1.00 10.39 C ATOM 1040 CE3 TRP H 103 9.822 1.599 19.072 1.00 10.42 C ATOM 1041 CZ2 TRP H 103 8.758 1.041 16.508 1.00 10.32 C ATOM 1042 CZ3 TRP H 103 9.397 0.334 18.740 1.00 10.34 C ATOM 1043 CH2 TRP H 103 8.858 0.060 17.464 1.00 10.27 C ATOM 1044 HE1 TRP H 103 8.845 3.563 15.137 1.00 0.00 H ATOM 1045 H TRP H 103 10.242 7.549 18.670 1.00 0.00 H ATOM 1046 N GLY H 104 9.836 5.927 22.248 1.00 11.60 N ATOM 1047 CA GLY H 104 10.512 6.228 23.481 1.00 12.33 C ATOM 1048 C GLY H 104 11.833 5.471 23.586 1.00 13.24 C ATOM 1049 O GLY H 104 12.150 4.618 22.756 1.00 13.01 O ATOM 1050 H GLY H 104 9.000 5.308 22.259 1.00 0.00 H ATOM 1051 N GLN H 105 12.603 5.801 24.612 1.00 14.54 N ATOM 1052 CA GLN H 105 13.912 5.201 24.849 1.00 16.14 C ATOM 1053 C GLN H 105 13.830 3.751 25.322 1.00 15.87 C ATOM 1054 O GLN H 105 14.821 3.027 25.314 1.00 15.90 O ATOM 1055 CB GLN H 105 14.678 6.053 25.884 1.00 18.06 C ATOM 1056 CG GLN H 105 14.441 5.735 27.372 1.00 19.05 C ATOM 1057 CD GLN H 105 13.162 6.301 28.001 1.00 20.81 C ATOM 1058 OE1 GLN H 105 12.273 6.864 27.337 1.00 21.31 O ATOM 1059 NE2 GLN H 105 13.068 6.152 29.318 1.00 22.64 N ATOM 1060 HE22 GLN H 105 13.829 5.676 29.843 1.00 0.00 H ATOM 1061 HE21 GLN H 105 12.233 6.511 29.824 1.00 0.00 H ATOM 1062 H GLN H 105 12.259 6.521 25.279 1.00 0.00 H ATOM 1063 N GLY H 106 12.654 3.342 25.766 1.00 15.21 N ATOM 1064 CA GLY H 106 12.446 1.997 26.265 1.00 14.86 C ATOM 1065 C GLY H 106 12.636 1.906 27.768 1.00 15.03 C ATOM 1066 O GLY H 106 13.432 2.642 28.355 1.00 15.64 O ATOM 1067 H GLY H 106 11.853 4.006 25.757 1.00 0.00 H ATOM 1068 N THR H 107 11.862 1.025 28.387 1.00 14.19 N ATOM 1069 CA THR H 107 12.032 0.675 29.806 1.00 14.42 C ATOM 1070 C THR H 107 12.015 -0.837 29.903 1.00 14.89 C ATOM 1071 O THR H 107 11.201 -1.507 29.257 1.00 13.92 O ATOM 1072 CB THR H 107 10.955 1.325 30.686 1.00 14.35 C ATOM 1073 OG1 THR H 107 11.314 1.217 32.060 1.00 14.04 O ATOM 1074 CG2 THR H 107 9.569 0.701 30.464 1.00 13.98 C ATOM 1075 HG1 THR H 107 12.178 1.676 32.211 1.00 0.00 H ATOM 1076 H THR H 107 11.103 0.562 27.847 1.00 0.00 H ATOM 1077 N THR H 108 12.928 -1.386 30.693 1.00 15.63 N ATOM 1078 CA THR H 108 13.141 -2.831 30.716 1.00 16.14 C ATOM 1079 C THR H 108 12.327 -3.524 31.812 1.00 16.40 C ATOM 1080 O THR H 108 12.375 -3.138 32.994 1.00 16.08 O ATOM 1081 CB THR H 108 14.636 -3.132 30.902 1.00 17.49 C ATOM 1082 OG1 THR H 108 15.379 -2.537 29.824 1.00 19.02 O ATOM 1083 CG2 THR H 108 14.883 -4.622 30.941 1.00 18.15 C ATOM 1084 HG1 THR H 108 16.343 -2.730 29.943 1.00 0.00 H ATOM 1085 H THR H 108 13.503 -0.776 31.308 1.00 0.00 H ATOM 1086 N VAL H 109 11.568 -4.540 31.411 1.00 16.40 N ATOM 1087 CA VAL H 109 10.817 -5.361 32.334 1.00 16.19 C ATOM 1088 C VAL H 109 11.466 -6.742 32.393 1.00 16.64 C ATOM 1089 O VAL H 109 11.586 -7.394 31.380 1.00 15.37 O ATOM 1090 CB VAL H 109 9.374 -5.487 31.842 1.00 16.26 C ATOM 1091 CG1 VAL H 109 8.575 -6.417 32.720 1.00 16.23 C ATOM 1092 CG2 VAL H 109 8.740 -4.099 31.802 1.00 16.25 C ATOM 1093 H VAL H 109 11.513 -4.752 30.394 1.00 0.00 H ATOM 1094 N THR H 110 11.880 -7.171 33.590 1.00 17.88 N ATOM 1095 CA THR H 110 12.502 -8.484 33.762 1.00 19.79 C ATOM 1096 C THR H 110 11.624 -9.330 34.685 1.00 20.14 C ATOM 1097 O THR H 110 11.454 -9.000 35.846 1.00 20.64 O ATOM 1098 CB THR H 110 13.916 -8.343 34.339 1.00 20.72 C ATOM 1099 OG1 THR H 110 14.683 -7.456 33.518 1.00 20.84 O ATOM 1100 CG2 THR H 110 14.623 -9.699 34.404 1.00 21.90 C ATOM 1101 HG1 THR H 110 14.737 -7.822 32.600 1.00 0.00 H ATOM 1102 H THR H 110 11.757 -6.556 34.419 1.00 0.00 H ATOM 1103 N VAL H 111 11.022 -10.379 34.146 1.00 20.45 N ATOM 1104 CA VAL H 111 10.145 -11.235 34.917 1.00 21.65 C ATOM 1105 C VAL H 111 10.961 -12.479 35.244 1.00 23.65 C ATOM 1106 O VAL H 111 11.233 -13.304 34.362 1.00 24.79 O ATOM 1107 CB VAL H 111 8.851 -11.623 34.174 1.00 21.10 C ATOM 1108 CG1 VAL H 111 7.956 -12.480 35.075 1.00 21.30 C ATOM 1109 CG2 VAL H 111 8.094 -10.395 33.687 1.00 20.43 C ATOM 1110 H VAL H 111 11.184 -10.594 33.141 1.00 0.00 H ATOM 1111 N SER H 112 11.377 -12.584 36.502 1.00 25.43 N ATOM 1112 CA SER H 112 12.201 -13.705 36.948 1.00 27.67 C ATOM 1113 C SER H 112 12.134 -13.840 38.458 1.00 28.12 C ATOM 1114 O SER H 112 11.872 -12.858 39.154 1.00 28.62 O ATOM 1115 CB SER H 112 13.651 -13.491 36.512 1.00 29.24 C ATOM 1116 OG SER H 112 14.384 -14.708 36.604 1.00 31.98 O ATOM 1117 HG SER H 112 15.319 -14.551 36.318 1.00 0.00 H ATOM 1118 H SER H 112 11.109 -11.849 37.187 1.00 0.00 H TER 1119 SER H 112 ATOM 1120 N ILE H1003 0.883 -15.427 11.930 1.00 15.86 N ATOM 1121 CA ILE H1003 1.341 -14.621 10.747 1.00 15.20 C ATOM 1122 C ILE H1003 2.828 -14.309 10.892 1.00 14.56 C ATOM 1123 O ILE H1003 3.286 -13.863 11.944 1.00 14.34 O ATOM 1124 CB ILE H1003 0.562 -13.288 10.589 1.00 15.82 C ATOM 1125 CG1 ILE H1003 -0.909 -13.552 10.232 1.00 16.41 C ATOM 1126 CG2 ILE H1003 1.236 -12.406 9.541 1.00 15.58 C ATOM 1127 CD1 ILE H1003 -1.838 -12.359 10.369 1.00 17.30 C ATOM 1128 HN3 ILE H1003 1.041 -14.882 12.801 1.00 0.00 H ATOM 1129 HN2 ILE H1003 1.422 -16.315 11.973 1.00 0.00 H ATOM 1130 HN1 ILE H1003 -0.130 -15.640 11.832 1.00 0.00 H ATOM 1131 N VAL H1004 3.564 -14.535 9.815 1.00 14.65 N ATOM 1132 CA VAL H1004 4.992 -14.262 9.790 1.00 14.09 C ATOM 1133 C VAL H1004 5.293 -13.196 8.743 1.00 12.85 C ATOM 1134 O VAL H1004 4.861 -13.286 7.594 1.00 12.54 O ATOM 1135 CB VAL H1004 5.797 -15.552 9.503 1.00 15.34 C ATOM 1136 CG1 VAL H1004 7.278 -15.247 9.325 1.00 15.88 C ATOM 1137 CG2 VAL H1004 5.539 -16.586 10.599 1.00 16.57 C ATOM 1138 H VAL H1004 3.108 -14.919 8.963 1.00 0.00 H ATOM 1139 N VAL H1005 6.049 -12.185 9.162 1.00 11.35 N ATOM 1140 CA VAL H1005 6.509 -11.140 8.262 1.00 11.02 C ATOM 1141 C VAL H1005 7.991 -11.409 8.074 1.00 10.98 C ATOM 1142 O VAL H1005 8.743 -11.466 9.062 1.00 11.27 O ATOM 1143 CB VAL H1005 6.236 -9.760 8.850 1.00 10.35 C ATOM 1144 CG1 VAL H1005 6.874 -8.667 7.996 1.00 9.99 C ATOM 1145 CG2 VAL H1005 4.737 -9.552 8.948 1.00 10.26 C ATOM 1146 H VAL H1005 6.320 -12.141 10.165 1.00 0.00 H ATOM 1147 N THR H1006 8.394 -11.608 6.823 1.00 10.95 N ATOM 1148 CA THR H1006 9.746 -12.052 6.489 1.00 10.97 C ATOM 1149 C THR H1006 10.542 -10.960 5.801 1.00 9.87 C ATOM 1150 O THR H1006 10.082 -10.337 4.854 1.00 9.72 O ATOM 1151 CB THR H1006 9.730 -13.307 5.585 1.00 11.98 C ATOM 1152 OG1 THR H1006 9.139 -14.385 6.317 1.00 12.95 O ATOM 1153 CG2 THR H1006 11.157 -13.719 5.144 1.00 12.74 C ATOM 1154 HG1 THR H1006 9.673 -14.561 7.132 1.00 0.00 H ATOM 1155 H THR H1006 7.719 -11.441 6.050 1.00 0.00 H ATOM 1156 N GLN H1007 11.758 -10.745 6.307 1.00 9.17 N ATOM 1157 CA GLN H1007 12.685 -9.776 5.764 1.00 8.74 C ATOM 1158 C GLN H1007 13.985 -10.480 5.507 1.00 8.87 C ATOM 1159 O GLN H1007 14.248 -11.509 6.137 1.00 9.29 O ATOM 1160 CB GLN H1007 12.938 -8.676 6.779 1.00 8.36 C ATOM 1161 CG GLN H1007 11.725 -7.842 7.139 1.00 8.03 C ATOM 1162 CD GLN H1007 12.088 -6.746 8.121 1.00 7.98 C ATOM 1163 OE1 GLN H1007 11.669 -6.752 9.289 1.00 8.34 O ATOM 1164 NE2 GLN H1007 12.844 -5.789 7.653 1.00 7.57 N ATOM 1165 HE22 GLN H1007 13.174 -5.822 6.667 1.00 0.00 H ATOM 1166 HE21 GLN H1007 13.116 -4.994 8.266 1.00 0.00 H ATOM 1167 H GLN H1007 12.054 -11.302 7.134 1.00 0.00 H ATOM 1168 N GLU H1008 14.827 -9.917 4.647 1.00 8.67 N ATOM 1169 CA GLU H1008 16.182 -10.435 4.480 1.00 9.12 C ATOM 1170 C GLU H1008 16.938 -10.419 5.809 1.00 9.48 C ATOM 1171 O GLU H1008 16.928 -9.419 6.491 1.00 9.16 O ATOM 1172 CB GLU H1008 16.940 -9.570 3.480 1.00 8.97 C ATOM 1173 CG GLU H1008 16.420 -9.610 2.048 1.00 9.14 C ATOM 1174 CD GLU H1008 15.323 -8.613 1.722 1.00 9.10 C ATOM 1175 OE1 GLU H1008 14.872 -7.892 2.640 1.00 9.09 O ATOM 1176 OE2 GLU H1008 14.916 -8.588 0.535 1.00 9.38 O ATOM 1177 H GLU H1008 14.517 -9.098 4.086 1.00 0.00 H ATOM 1178 N SER H1009 17.638 -11.497 6.165 1.00 9.75 N ATOM 1179 CA SER H1009 18.352 -11.500 7.440 1.00 10.28 C ATOM 1180 C SER H1009 19.460 -10.463 7.417 1.00 10.06 C ATOM 1181 O SER H1009 19.652 -9.713 8.399 1.00 10.30 O ATOM 1182 CB SER H1009 18.912 -12.890 7.780 1.00 11.09 C ATOM 1183 OG SER H1009 17.834 -13.795 8.053 1.00 12.68 O ATOM 1184 HG SER H1009 18.202 -14.688 8.271 1.00 0.00 H ATOM 1185 H SER H1009 17.675 -12.328 5.541 1.00 0.00 H ATOM 1186 N ALA H1010 20.173 -10.383 6.289 1.00 9.62 N ATOM 1187 CA ALA H1010 21.243 -9.390 6.135 1.00 9.81 C ATOM 1188 C ALA H1010 21.328 -8.964 4.688 1.00 9.33 C ATOM 1189 O ALA H1010 20.949 -9.719 3.794 1.00 9.10 O ATOM 1190 CB ALA H1010 22.579 -9.975 6.573 1.00 10.32 C ATOM 1191 H ALA H1010 19.966 -11.036 5.507 1.00 0.00 H ATOM 1192 N LEU H1011 21.762 -7.724 4.485 1.00 8.90 N ATOM 1193 CA LEU H1011 22.170 -7.245 3.186 1.00 8.99 C ATOM 1194 C LEU H1011 23.427 -6.417 3.377 1.00 9.13 C ATOM 1195 O LEU H1011 23.601 -5.766 4.415 1.00 8.89 O ATOM 1196 CB LEU H1011 21.065 -6.386 2.562 1.00 8.68 C ATOM 1197 CG LEU H1011 19.796 -7.109 2.089 1.00 8.78 C ATOM 1198 CD1 LEU H1011 18.710 -6.117 1.711 1.00 8.71 C ATOM 1199 CD2 LEU H1011 20.109 -8.059 0.951 1.00 9.14 C ATOM 1200 H LEU H1011 21.809 -7.073 5.295 1.00 0.00 H ATOM 1201 N THR H1012 24.326 -6.492 2.401 1.00 9.24 N ATOM 1202 CA THR H1012 25.562 -5.737 2.409 1.00 9.49 C ATOM 1203 C THR H1012 25.552 -4.786 1.219 1.00 9.66 C ATOM 1204 O THR H1012 25.209 -5.174 0.104 1.00 9.93 O ATOM 1205 CB THR H1012 26.789 -6.676 2.287 1.00 9.76 C ATOM 1206 OG1 THR H1012 26.745 -7.673 3.315 1.00 9.87 O ATOM 1207 CG2 THR H1012 28.109 -5.885 2.364 1.00 9.87 C ATOM 1208 HG1 THR H1012 27.532 -8.268 3.230 1.00 0.00 H ATOM 1209 H THR H1012 24.133 -7.121 1.595 1.00 0.00 H ATOM 1210 N THR H1013 25.928 -3.541 1.479 1.00 9.60 N ATOM 1211 CA THR H1013 26.008 -2.526 0.448 1.00 9.65 C ATOM 1212 C THR H1013 27.256 -1.695 0.721 1.00 10.06 C ATOM 1213 O THR H1013 28.056 -2.009 1.604 1.00 10.05 O ATOM 1214 CB THR H1013 24.716 -1.655 0.375 1.00 9.48 C ATOM 1215 OG1 THR H1013 24.717 -0.860 -0.826 1.00 9.45 O ATOM 1216 CG2 THR H1013 24.591 -0.731 1.563 1.00 9.65 C ATOM 1217 HG1 THR H1013 24.750 -1.457 -1.615 1.00 0.00 H ATOM 1218 H THR H1013 26.174 -3.284 2.456 1.00 0.00 H ATOM 1219 N SER H1014 27.428 -0.641 -0.068 1.00 10.48 N ATOM 1220 CA SER H1014 28.552 0.290 0.093 1.00 11.02 C ATOM 1221 C SER H1014 28.028 1.698 -0.069 1.00 10.40 C ATOM 1222 O SER H1014 26.987 1.906 -0.678 1.00 10.04 O ATOM 1223 CB SER H1014 29.640 0.049 -0.964 1.00 11.99 C ATOM 1224 OG SER H1014 30.184 -1.252 -0.872 1.00 14.63 O ATOM 1225 HG SER H1014 30.587 -1.377 0.023 1.00 0.00 H ATOM 1226 H SER H1014 26.740 -0.468 -0.829 1.00 0.00 H ATOM 1227 N PRO H1015 28.786 2.703 0.425 1.00 10.06 N ATOM 1228 CA PRO H1015 28.279 4.071 0.287 1.00 9.77 C ATOM 1229 C PRO H1015 28.057 4.426 -1.160 1.00 9.49 C ATOM 1230 O PRO H1015 28.861 4.075 -2.035 1.00 9.13 O ATOM 1231 CB PRO H1015 29.390 4.929 0.898 1.00 10.13 C ATOM 1232 CG PRO H1015 30.050 3.998 1.869 1.00 10.34 C ATOM 1233 CD PRO H1015 29.988 2.647 1.256 1.00 10.35 C ATOM 1234 N GLY H1016 26.939 5.060 -1.415 1.00 9.26 N ATOM 1235 CA GLY H1016 26.577 5.525 -2.743 1.00 9.33 C ATOM 1236 C GLY H1016 25.778 4.557 -3.582 1.00 9.36 C ATOM 1237 O GLY H1016 25.255 4.923 -4.632 1.00 9.23 O ATOM 1238 H GLY H1016 26.280 5.239 -0.630 1.00 0.00 H ATOM 1239 N GLU H1017 25.633 3.325 -3.103 1.00 9.65 N ATOM 1240 CA GLU H1017 24.839 2.332 -3.806 1.00 10.37 C ATOM 1241 C GLU H1017 23.357 2.512 -3.518 1.00 10.03 C ATOM 1242 O GLU H1017 22.951 3.224 -2.585 1.00 9.74 O ATOM 1243 CB GLU H1017 25.281 0.921 -3.423 1.00 10.93 C ATOM 1244 CG GLU H1017 26.697 0.577 -3.844 1.00 11.99 C ATOM 1245 CD GLU H1017 26.889 0.624 -5.347 1.00 13.28 C ATOM 1246 OE1 GLU H1017 26.272 -0.200 -6.033 1.00 14.33 O ATOM 1247 OE2 GLU H1017 27.640 1.498 -5.844 1.00 15.26 O ATOM 1248 H GLU H1017 26.097 3.067 -2.208 1.00 0.00 H ATOM 1249 N THR H1018 22.546 1.879 -4.346 1.00 10.58 N ATOM 1250 CA THR H1018 21.130 1.814 -4.104 1.00 11.28 C ATOM 1251 C THR H1018 20.802 0.415 -3.574 1.00 11.24 C ATOM 1252 O THR H1018 21.120 -0.595 -4.228 1.00 11.90 O ATOM 1253 CB THR H1018 20.334 2.183 -5.365 1.00 11.87 C ATOM 1254 OG1 THR H1018 20.631 3.540 -5.718 1.00 12.78 O ATOM 1255 CG2 THR H1018 18.819 2.030 -5.135 1.00 12.36 C ATOM 1256 HG1 THR H1018 20.122 3.787 -6.530 1.00 0.00 H ATOM 1257 H THR H1018 22.940 1.418 -5.191 1.00 0.00 H ATOM 1258 N VAL H1019 20.221 0.355 -2.377 1.00 10.42 N ATOM 1259 CA VAL H1019 19.875 -0.920 -1.774 1.00 10.39 C ATOM 1260 C VAL H1019 18.387 -0.931 -1.444 1.00 9.92 C ATOM 1261 O VAL H1019 17.826 0.078 -1.038 1.00 9.46 O ATOM 1262 CB VAL H1019 20.755 -1.253 -0.537 1.00 10.70 C ATOM 1263 CG1 VAL H1019 20.598 -0.229 0.592 1.00 10.51 C ATOM 1264 CG2 VAL H1019 20.460 -2.661 -0.033 1.00 10.84 C ATOM 1265 H VAL H1019 20.012 1.236 -1.866 1.00 0.00 H ATOM 1266 N THR H1020 17.756 -2.076 -1.684 1.00 9.89 N ATOM 1267 CA THR H1020 16.328 -2.267 -1.484 1.00 9.77 C ATOM 1268 C THR H1020 16.126 -3.408 -0.491 1.00 9.38 C ATOM 1269 O THR H1020 16.599 -4.534 -0.708 1.00 9.23 O ATOM 1270 CB THR H1020 15.638 -2.593 -2.818 1.00 10.88 C ATOM 1271 OG1 THR H1020 15.858 -1.517 -3.725 1.00 12.07 O ATOM 1272 CG2 THR H1020 14.154 -2.781 -2.631 1.00 10.95 C ATOM 1273 HG1 THR H1020 16.831 -1.402 -3.869 1.00 0.00 H ATOM 1274 H THR H1020 18.315 -2.880 -2.034 1.00 0.00 H ATOM 1275 N LEU H1021 15.469 -3.099 0.617 1.00 9.06 N ATOM 1276 CA LEU H1021 15.096 -4.062 1.660 1.00 8.91 C ATOM 1277 C LEU H1021 13.652 -4.402 1.388 1.00 8.61 C ATOM 1278 O LEU H1021 12.898 -3.530 0.937 1.00 8.47 O ATOM 1279 CB LEU H1021 15.224 -3.451 3.058 1.00 9.40 C ATOM 1280 CG LEU H1021 16.630 -3.280 3.623 1.00 10.08 C ATOM 1281 CD1 LEU H1021 17.435 -2.248 2.849 1.00 10.51 C ATOM 1282 CD2 LEU H1021 16.553 -2.906 5.103 1.00 10.22 C ATOM 1283 H LEU H1021 15.199 -2.105 0.758 1.00 0.00 H ATOM 1284 N THR H1022 13.263 -5.652 1.631 1.00 8.33 N ATOM 1285 CA THR H1022 11.894 -6.072 1.362 1.00 8.20 C ATOM 1286 C THR H1022 11.233 -6.739 2.554 1.00 8.18 C ATOM 1287 O THR H1022 11.888 -7.185 3.507 1.00 7.74 O ATOM 1288 CB THR H1022 11.751 -6.973 0.123 1.00 8.46 C ATOM 1289 OG1 THR H1022 12.302 -8.273 0.388 1.00 8.64 O ATOM 1290 CG2 THR H1022 12.428 -6.367 -1.059 1.00 8.51 C ATOM 1291 HG1 THR H1022 13.261 -8.183 0.615 1.00 0.00 H ATOM 1292 H THR H1022 13.944 -6.336 2.017 1.00 0.00 H ATOM 1293 N CYS H1023 9.909 -6.821 2.447 1.00 8.55 N ATOM 1294 CA CYS H1023 9.064 -7.214 3.546 1.00 9.05 C ATOM 1295 C CYS H1023 7.930 -8.040 2.974 1.00 9.35 C ATOM 1296 O CYS H1023 7.141 -7.528 2.177 1.00 9.27 O ATOM 1297 CB CYS H1023 8.565 -5.949 4.241 1.00 9.57 C ATOM 1298 SG CYS H1023 7.482 -6.241 5.657 1.00 10.39 S ATOM 1299 H CYS H1023 9.467 -6.592 1.534 1.00 0.00 H ATOM 1300 N ARG H1024 7.884 -9.312 3.361 1.00 9.61 N ATOM 1301 CA ARG H1024 6.923 -10.284 2.808 1.00 10.28 C ATOM 1302 C ARG H1024 5.912 -10.732 3.850 1.00 10.54 C ATOM 1303 O ARG H1024 6.272 -10.931 4.997 1.00 10.28 O ATOM 1304 CB ARG H1024 7.680 -11.510 2.307 1.00 11.33 C ATOM 1305 CG ARG H1024 6.813 -12.624 1.780 1.00 12.68 C ATOM 1306 CD ARG H1024 7.621 -13.693 1.056 1.00 13.57 C ATOM 1307 NE ARG H1024 8.112 -13.198 -0.233 1.00 14.23 N ATOM 1308 CZ ARG H1024 7.378 -13.076 -1.340 1.00 14.08 C ATOM 1309 NH1 ARG H1024 6.089 -13.402 -1.351 1.00 14.21 N ATOM 1310 NH2 ARG H1024 7.936 -12.614 -2.452 1.00 14.14 N ATOM 1311 HE ARG H1024 9.112 -12.920 -0.289 1.00 0.00 H ATOM 1312 HH12 ARG H1024 5.534 -13.299 -2.225 1.00 0.00 H ATOM 1313 HH11 ARG H1024 5.636 -13.759 -0.486 1.00 0.00 H ATOM 1314 HH22 ARG H1024 7.368 -12.517 -3.318 1.00 0.00 H ATOM 1315 HH21 ARG H1024 8.942 -12.349 -2.458 1.00 0.00 H ATOM 1316 H ARG H1024 8.556 -9.635 4.086 1.00 0.00 H ATOM 1317 N SER H1025 4.668 -10.931 3.425 1.00 10.42 N ATOM 1318 CA SER H1025 3.614 -11.446 4.295 1.00 10.73 C ATOM 1319 C SER H1025 3.376 -12.933 4.071 1.00 11.09 C ATOM 1320 O SER H1025 3.303 -13.400 2.932 1.00 11.14 O ATOM 1321 CB SER H1025 2.313 -10.709 4.017 1.00 10.64 C ATOM 1322 OG SER H1025 1.259 -11.335 4.733 1.00 10.94 O ATOM 1323 HG SER H1025 0.411 -10.857 4.554 1.00 0.00 H ATOM 1324 H SER H1025 4.437 -10.712 2.435 1.00 0.00 H ATOM 1325 N SER H1026 3.198 -13.680 5.156 1.00 11.35 N ATOM 1326 CA SER H1026 2.866 -15.094 5.024 1.00 11.99 C ATOM 1327 C SER H1026 1.408 -15.341 4.604 1.00 12.20 C ATOM 1328 O SER H1026 1.035 -16.493 4.325 1.00 12.16 O ATOM 1329 CB SER H1026 3.159 -15.829 6.329 1.00 12.42 C ATOM 1330 OG SER H1026 2.313 -15.391 7.366 1.00 12.39 O ATOM 1331 HG SER H1026 1.370 -15.559 7.115 1.00 0.00 H ATOM 1332 H SER H1026 3.296 -13.256 6.100 1.00 0.00 H ATOM 1333 N THR H1027 0.587 -14.289 4.547 1.00 12.10 N ATOM 1334 CA THR H1027 -0.822 -14.458 4.183 1.00 12.73 C ATOM 1335 C THR H1027 -1.072 -14.308 2.683 1.00 12.93 C ATOM 1336 O THR H1027 -2.183 -14.492 2.176 1.00 12.63 O ATOM 1337 CB THR H1027 -1.720 -13.467 4.960 1.00 13.30 C ATOM 1338 OG1 THR H1027 -1.400 -12.128 4.563 1.00 13.36 O ATOM 1339 CG2 THR H1027 -1.498 -13.634 6.425 1.00 13.91 C ATOM 1340 HG1 THR H1027 -0.449 -11.943 4.766 1.00 0.00 H ATOM 1341 H THR H1027 0.952 -13.339 4.763 1.00 0.00 H ATOM 1342 N GLY H1027A -0.039 -13.690 1.833 1.00 11.39 N ATOM 1343 CA GLY H1027A -0.155 -13.391 0.431 1.00 11.53 C ATOM 1344 C GLY H1027A 0.627 -12.129 0.186 1.00 11.36 C ATOM 1345 O GLY H1027A 1.653 -11.866 0.826 1.00 11.40 O ATOM 1346 H GLY H1027A 0.862 -13.446 2.292 1.00 0.00 H ATOM 1347 N ALA H1027B -0.013 -11.255 -0.815 1.00 12.02 N ATOM 1348 CA ALA H1027B 0.665 -10.025 -1.183 1.00 11.89 C ATOM 1349 C ALA H1027B 0.586 -9.074 -0.016 1.00 11.58 C ATOM 1350 O ALA H1027B -0.409 -9.002 0.691 1.00 11.57 O ATOM 1351 CB ALA H1027B 0.042 -9.404 -2.414 1.00 12.31 C ATOM 1352 H ALA H1027B -0.924 -11.513 -1.245 1.00 0.00 H ATOM 1353 N VAL H1027C 1.691 -8.201 0.055 1.00 10.63 N ATOM 1354 CA VAL H1027C 1.591 -6.992 0.820 1.00 10.58 C ATOM 1355 C VAL H1027C 0.955 -5.960 -0.095 1.00 11.50 C ATOM 1356 O VAL H1027C 1.385 -5.764 -1.246 1.00 12.00 O ATOM 1357 CB VAL H1027C 2.970 -6.518 1.295 1.00 10.05 C ATOM 1358 CG1 VAL H1027C 2.831 -5.241 2.120 1.00 9.79 C ATOM 1359 CG2 VAL H1027C 3.672 -7.614 2.084 1.00 9.76 C ATOM 1360 H VAL H1027C 2.573 -8.432 -0.444 1.00 0.00 H ATOM 1361 N THR H1028 -0.063 -5.293 0.426 1.00 12.00 N ATOM 1362 CA THR H1028 -0.733 -4.233 -0.292 1.00 13.08 C ATOM 1363 C THR H1028 -0.815 -2.982 0.585 1.00 12.46 C ATOM 1364 O THR H1028 -0.375 -2.987 1.728 1.00 11.59 O ATOM 1365 CB THR H1028 -2.161 -4.654 -0.698 1.00 14.90 C ATOM 1366 OG1 THR H1028 -2.974 -4.756 0.470 1.00 15.69 O ATOM 1367 CG2 THR H1028 -2.162 -6.000 -1.443 1.00 16.05 C ATOM 1368 HG1 THR H1028 -2.589 -5.434 1.080 1.00 0.00 H ATOM 1369 H THR H1028 -0.391 -5.540 1.382 1.00 0.00 H ATOM 1370 N THR H1029 -1.385 -1.920 0.035 1.00 12.55 N ATOM 1371 CA THR H1029 -1.611 -0.693 0.792 1.00 12.47 C ATOM 1372 C THR H1029 -2.469 -0.942 2.020 1.00 11.99 C ATOM 1373 O THR H1029 -2.344 -0.233 2.984 1.00 10.93 O ATOM 1374 CB THR H1029 -2.244 0.394 -0.088 1.00 13.45 C ATOM 1375 OG1 THR H1029 -3.412 -0.156 -0.721 1.00 14.62 O ATOM 1376 CG2 THR H1029 -1.215 0.864 -1.136 1.00 13.87 C ATOM 1377 HG1 THR H1029 -3.832 0.534 -1.293 1.00 0.00 H ATOM 1378 H THR H1029 -1.679 -1.962 -0.962 1.00 0.00 H ATOM 1379 N SER H1030 -3.287 -1.991 2.002 1.00 11.71 N ATOM 1380 CA SER H1030 -4.097 -2.354 3.180 1.00 11.88 C ATOM 1381 C SER H1030 -3.258 -2.787 4.385 1.00 10.84 C ATOM 1382 O SER H1030 -3.774 -2.832 5.507 1.00 10.57 O ATOM 1383 CB SER H1030 -5.068 -3.486 2.803 1.00 12.95 C ATOM 1384 OG SER H1030 -6.049 -2.960 1.915 1.00 15.63 O ATOM 1385 HG SER H1030 -5.604 -2.611 1.103 1.00 0.00 H ATOM 1386 H SER H1030 -3.357 -2.567 1.139 1.00 0.00 H ATOM 1387 N ASN H1031 -1.976 -3.107 4.158 1.00 9.78 N ATOM 1388 CA ASN H1031 -1.067 -3.489 5.225 1.00 9.11 C ATOM 1389 C ASN H1031 -0.251 -2.323 5.787 1.00 8.65 C ATOM 1390 O ASN H1031 0.498 -2.515 6.737 1.00 8.18 O ATOM 1391 CB ASN H1031 -0.107 -4.588 4.767 1.00 9.28 C ATOM 1392 CG ASN H1031 -0.831 -5.840 4.318 1.00 9.68 C ATOM 1393 OD1 ASN H1031 -0.700 -6.245 3.185 1.00 10.83 O ATOM 1394 ND2 ASN H1031 -1.605 -6.446 5.198 1.00 9.95 N ATOM 1395 HD22 ASN H1031 -1.692 -6.067 6.163 1.00 0.00 H ATOM 1396 HD21 ASN H1031 -2.129 -7.303 4.927 1.00 0.00 H ATOM 1397 H ASN H1031 -1.619 -3.081 3.182 1.00 0.00 H ATOM 1398 N TYR H1032 -0.416 -1.135 5.220 1.00 8.61 N ATOM 1399 CA TYR H1032 0.167 0.084 5.793 1.00 8.76 C ATOM 1400 C TYR H1032 1.611 -0.130 6.241 1.00 7.90 C ATOM 1401 O TYR H1032 1.971 0.171 7.370 1.00 7.63 O ATOM 1402 CB TYR H1032 -0.722 0.566 6.934 1.00 9.36 C ATOM 1403 CG TYR H1032 -2.006 1.124 6.412 1.00 10.48 C ATOM 1404 CD1 TYR H1032 -3.117 0.316 6.159 1.00 11.11 C ATOM 1405 CD2 TYR H1032 -2.077 2.465 6.092 1.00 11.47 C ATOM 1406 CE1 TYR H1032 -4.286 0.872 5.618 1.00 12.56 C ATOM 1407 CE2 TYR H1032 -3.211 3.013 5.584 1.00 12.50 C ATOM 1408 CZ TYR H1032 -4.282 2.240 5.329 1.00 12.68 C ATOM 1409 OH TYR H1032 -5.325 2.951 4.785 1.00 15.43 O ATOM 1410 HH TYR H1032 -6.086 2.341 4.616 1.00 0.00 H ATOM 1411 H TYR H1032 -0.974 -1.066 4.345 1.00 0.00 H ATOM 1412 N ALA H1033 2.470 -0.608 5.337 1.00 7.50 N ATOM 1413 CA ALA H1033 3.797 -1.011 5.778 1.00 7.30 C ATOM 1414 C ALA H1033 4.540 0.158 6.406 1.00 7.40 C ATOM 1415 O ALA H1033 4.522 1.289 5.861 1.00 7.46 O ATOM 1416 CB ALA H1033 4.619 -1.602 4.632 1.00 7.25 C ATOM 1417 H ALA H1033 2.196 -0.691 4.337 1.00 0.00 H ATOM 1418 N ASN H1034 5.198 -0.111 7.530 1.00 7.49 N ATOM 1419 CA ASN H1034 6.099 0.861 8.159 1.00 7.76 C ATOM 1420 C ASN H1034 7.485 0.298 8.165 1.00 7.71 C ATOM 1421 O ASN H1034 7.663 -0.915 8.238 1.00 8.25 O ATOM 1422 CB ASN H1034 5.717 1.183 9.587 1.00 7.84 C ATOM 1423 CG ASN H1034 4.554 2.143 9.689 1.00 7.98 C ATOM 1424 OD1 ASN H1034 4.676 3.228 10.271 1.00 8.30 O ATOM 1425 ND2 ASN H1034 3.421 1.739 9.160 1.00 8.21 N ATOM 1426 HD22 ASN H1034 3.370 0.817 8.681 1.00 0.00 H ATOM 1427 HD21 ASN H1034 2.575 2.341 9.221 1.00 0.00 H ATOM 1428 H ASN H1034 5.070 -1.041 7.978 1.00 0.00 H ATOM 1429 N TRP H1035 8.465 1.194 8.130 1.00 7.73 N ATOM 1430 CA TRP H1035 9.857 0.836 8.228 1.00 7.78 C ATOM 1431 C TRP H1035 10.459 1.633 9.371 1.00 8.46 C ATOM 1432 O TRP H1035 10.323 2.851 9.412 1.00 8.03 O ATOM 1433 CB TRP H1035 10.562 1.169 6.919 1.00 7.77 C ATOM 1434 CG TRP H1035 10.121 0.300 5.827 1.00 7.50 C ATOM 1435 CD1 TRP H1035 9.110 0.535 4.919 1.00 7.62 C ATOM 1436 CD2 TRP H1035 10.668 -0.970 5.492 1.00 7.65 C ATOM 1437 NE1 TRP H1035 9.019 -0.511 4.042 1.00 7.61 N ATOM 1438 CE2 TRP H1035 9.950 -1.458 4.386 1.00 7.60 C ATOM 1439 CE3 TRP H1035 11.715 -1.739 6.016 1.00 7.57 C ATOM 1440 CZ2 TRP H1035 10.265 -2.663 3.778 1.00 7.76 C ATOM 1441 CZ3 TRP H1035 12.010 -2.921 5.429 1.00 7.73 C ATOM 1442 CH2 TRP H1035 11.281 -3.396 4.341 1.00 7.73 C ATOM 1443 HE1 TRP H1035 8.354 -0.577 3.246 1.00 0.00 H ATOM 1444 H TRP H1035 8.216 2.199 8.027 1.00 0.00 H ATOM 1445 N VAL H1036 11.132 0.916 10.272 1.00 9.17 N ATOM 1446 CA VAL H1036 11.699 1.477 11.484 1.00 10.00 C ATOM 1447 C VAL H1036 13.169 1.068 11.585 1.00 10.20 C ATOM 1448 O VAL H1036 13.523 -0.088 11.356 1.00 10.70 O ATOM 1449 CB VAL H1036 10.922 1.010 12.735 1.00 10.80 C ATOM 1450 CG1 VAL H1036 11.488 1.660 13.981 1.00 11.84 C ATOM 1451 CG2 VAL H1036 9.443 1.354 12.569 1.00 11.32 C ATOM 1452 H VAL H1036 11.257 -0.101 10.096 1.00 0.00 H ATOM 1453 N GLN H1037 14.020 2.032 11.909 1.00 10.32 N ATOM 1454 CA GLN H1037 15.455 1.793 12.015 1.00 10.78 C ATOM 1455 C GLN H1037 15.870 1.640 13.451 1.00 11.08 C ATOM 1456 O GLN H1037 15.489 2.472 14.283 1.00 11.73 O ATOM 1457 CB GLN H1037 16.202 2.975 11.431 1.00 10.91 C ATOM 1458 CG GLN H1037 17.706 2.806 11.423 1.00 11.26 C ATOM 1459 CD GLN H1037 18.386 4.113 11.166 1.00 11.34 C ATOM 1460 OE1 GLN H1037 18.284 5.059 11.964 1.00 12.27 O ATOM 1461 NE2 GLN H1037 19.024 4.212 10.018 1.00 11.11 N ATOM 1462 HE22 GLN H1037 19.082 3.391 9.383 1.00 0.00 H ATOM 1463 HE21 GLN H1037 19.470 5.112 9.747 1.00 0.00 H ATOM 1464 H GLN H1037 13.653 2.988 12.093 1.00 0.00 H ATOM 1465 N GLU H1038 16.650 0.607 13.750 1.00 11.34 N ATOM 1466 CA GLU H1038 17.263 0.456 15.070 1.00 12.60 C ATOM 1467 C GLU H1038 18.768 0.678 14.985 1.00 13.64 C ATOM 1468 O GLU H1038 19.495 -0.095 14.355 1.00 12.15 O ATOM 1469 CB GLU H1038 16.994 -0.923 15.656 1.00 13.23 C ATOM 1470 CG GLU H1038 17.473 -1.083 17.093 1.00 13.97 C ATOM 1471 CD GLU H1038 17.472 -2.524 17.550 1.00 14.44 C ATOM 1472 OE1 GLU H1038 17.425 -3.403 16.689 1.00 14.27 O ATOM 1473 OE2 GLU H1038 17.525 -2.783 18.778 1.00 15.24 O ATOM 1474 H GLU H1038 16.830 -0.116 13.024 1.00 0.00 H ATOM 1475 N LYS H1039 19.219 1.723 15.673 1.00 15.56 N ATOM 1476 CA LYS H1039 20.648 1.937 15.852 1.00 18.41 C ATOM 1477 C LYS H1039 21.085 1.556 17.280 1.00 21.37 C ATOM 1478 O LYS H1039 20.237 1.391 18.179 1.00 19.25 O ATOM 1479 CB LYS H1039 20.991 3.379 15.485 1.00 20.42 C ATOM 1480 CG LYS H1039 21.007 3.623 13.989 1.00 21.84 C ATOM 1481 CD LYS H1039 21.251 5.089 13.656 1.00 24.54 C ATOM 1482 CE LYS H1039 21.562 5.308 12.175 1.00 25.29 C ATOM 1483 NZ LYS H1039 21.783 6.747 11.771 1.00 26.48 N ATOM 1484 HZ1 LYS H1039 20.927 7.300 11.980 1.00 0.00 H ATOM 1485 HZ2 LYS H1039 22.587 7.136 12.304 1.00 0.00 H ATOM 1486 HZ3 LYS H1039 21.987 6.792 10.752 1.00 0.00 H ATOM 1487 H LYS H1039 18.543 2.395 16.088 1.00 0.00 H ATOM 1488 N PRO H1040 22.410 1.399 17.503 1.00 23.47 N ATOM 1489 CA PRO H1040 22.905 0.871 18.774 1.00 27.04 C ATOM 1490 C PRO H1040 22.469 1.661 19.995 1.00 29.46 C ATOM 1491 O PRO H1040 22.287 2.881 19.920 1.00 33.30 O ATOM 1492 CB PRO H1040 24.434 0.923 18.613 1.00 26.75 C ATOM 1493 CG PRO H1040 24.652 0.805 17.150 1.00 25.80 C ATOM 1494 CD PRO H1040 23.494 1.534 16.513 1.00 25.07 C ATOM 1495 N ASP H1041 22.343 0.935 21.107 1.00 31.99 N ATOM 1496 CA ASP H1041 21.673 1.390 22.317 1.00 33.80 C ATOM 1497 C ASP H1041 20.159 1.337 22.097 1.00 28.75 C ATOM 1498 O ASP H1041 19.441 2.165 22.633 1.00 30.09 O ATOM 1499 CB ASP H1041 22.131 2.806 22.744 1.00 37.39 C ATOM 1500 CG ASP H1041 21.714 3.157 24.173 1.00 41.65 C ATOM 1501 OD1 ASP H1041 20.520 3.495 24.385 1.00 46.26 O ATOM 1502 OD2 ASP H1041 22.573 3.090 25.085 1.00 44.20 O ATOM 1503 H ASP H1041 22.751 -0.021 21.110 1.00 0.00 H ATOM 1504 N HIS H1042 19.676 0.374 21.308 1.00 25.16 N ATOM 1505 CA HIS H1042 18.222 0.214 21.087 1.00 23.31 C ATOM 1506 C HIS H1042 17.521 1.542 20.785 1.00 21.21 C ATOM 1507 O HIS H1042 16.548 1.909 21.441 1.00 21.09 O ATOM 1508 CB HIS H1042 17.570 -0.428 22.316 1.00 24.24 C ATOM 1509 CG HIS H1042 18.135 -1.765 22.662 1.00 24.81 C ATOM 1510 ND1 HIS H1042 17.643 -2.937 22.132 1.00 25.89 N ATOM 1511 CD2 HIS H1042 19.166 -2.117 23.464 1.00 25.96 C ATOM 1512 CE1 HIS H1042 18.344 -3.956 22.599 1.00 25.78 C ATOM 1513 NE2 HIS H1042 19.272 -3.485 23.409 1.00 26.00 N ATOM 1514 H HIS H1042 20.337 -0.278 20.839 1.00 0.00 H ATOM 1515 N LEU H1043 18.041 2.273 19.812 1.00 20.48 N ATOM 1516 CA LEU H1043 17.495 3.585 19.437 1.00 19.81 C ATOM 1517 C LEU H1043 16.651 3.395 18.192 1.00 17.44 C ATOM 1518 O LEU H1043 17.205 3.127 17.122 1.00 16.19 O ATOM 1519 CB LEU H1043 18.612 4.572 19.123 1.00 21.43 C ATOM 1520 CG LEU H1043 19.578 4.932 20.249 1.00 24.36 C ATOM 1521 CD1 LEU H1043 20.725 5.760 19.681 1.00 25.35 C ATOM 1522 CD2 LEU H1043 18.854 5.661 21.381 1.00 25.05 C ATOM 1523 H LEU H1043 18.865 1.906 19.294 1.00 0.00 H ATOM 1524 N PHE H1044 15.325 3.501 18.339 1.00 15.57 N ATOM 1525 CA PHE H1044 14.394 3.296 17.239 1.00 13.95 C ATOM 1526 C PHE H1044 13.870 4.603 16.666 1.00 14.13 C ATOM 1527 O PHE H1044 13.483 5.505 17.421 1.00 13.54 O ATOM 1528 CB PHE H1044 13.205 2.444 17.695 1.00 13.46 C ATOM 1529 CG PHE H1044 13.542 1.000 17.878 1.00 13.28 C ATOM 1530 CD1 PHE H1044 14.026 0.535 19.089 1.00 13.46 C ATOM 1531 CD2 PHE H1044 13.354 0.098 16.851 1.00 13.38 C ATOM 1532 CE1 PHE H1044 14.326 -0.799 19.261 1.00 13.61 C ATOM 1533 CE2 PHE H1044 13.672 -1.234 17.014 1.00 13.19 C ATOM 1534 CZ PHE H1044 14.168 -1.674 18.219 1.00 13.18 C ATOM 1535 H PHE H1044 14.944 3.739 19.277 1.00 0.00 H ATOM 1536 N THR H1045 13.856 4.678 15.336 1.00 13.55 N ATOM 1537 CA THR H1045 13.326 5.809 14.601 1.00 14.79 C ATOM 1538 C THR H1045 12.459 5.309 13.454 1.00 13.42 C ATOM 1539 O THR H1045 12.906 4.471 12.655 1.00 12.72 O ATOM 1540 CB THR H1045 14.451 6.657 13.986 1.00 16.49 C ATOM 1541 OG1 THR H1045 15.423 6.975 14.987 1.00 19.42 O ATOM 1542 CG2 THR H1045 13.871 7.953 13.391 1.00 18.20 C ATOM 1543 HG1 THR H1045 15.806 6.138 15.351 1.00 0.00 H ATOM 1544 H THR H1045 14.247 3.881 14.795 1.00 0.00 H ATOM 1545 N GLY H1046 11.240 5.825 13.352 1.00 12.27 N ATOM 1546 CA GLY H1046 10.385 5.497 12.240 1.00 11.73 C ATOM 1547 C GLY H1046 10.843 6.250 11.010 1.00 12.12 C ATOM 1548 O GLY H1046 11.097 7.460 11.075 1.00 13.22 O ATOM 1549 H GLY H1046 10.897 6.476 14.087 1.00 0.00 H ATOM 1550 N LEU H1047 10.987 5.542 9.902 1.00 10.76 N ATOM 1551 CA LEU H1047 11.426 6.158 8.651 1.00 11.21 C ATOM 1552 C LEU H1047 10.292 6.350 7.662 1.00 10.24 C ATOM 1553 O LEU H1047 10.163 7.416 7.043 1.00 10.75 O ATOM 1554 CB LEU H1047 12.488 5.292 7.988 1.00 11.82 C ATOM 1555 CG LEU H1047 13.729 5.014 8.803 1.00 13.27 C ATOM 1556 CD1 LEU H1047 14.631 4.114 7.974 1.00 13.98 C ATOM 1557 CD2 LEU H1047 14.424 6.307 9.176 1.00 13.74 C ATOM 1558 H LEU H1047 10.783 4.522 9.921 1.00 0.00 H ATOM 1559 N ILE H1048 9.501 5.295 7.463 1.00 9.31 N ATOM 1560 CA ILE H1048 8.420 5.284 6.494 1.00 9.28 C ATOM 1561 C ILE H1048 7.189 4.735 7.156 1.00 9.21 C ATOM 1562 O ILE H1048 7.269 3.779 7.912 1.00 8.43 O ATOM 1563 CB ILE H1048 8.747 4.368 5.279 1.00 9.12 C ATOM 1564 CG1 ILE H1048 10.003 4.859 4.543 1.00 9.26 C ATOM 1565 CG2 ILE H1048 7.564 4.246 4.327 1.00 9.51 C ATOM 1566 CD1 ILE H1048 9.872 6.140 3.747 1.00 9.92 C ATOM 1567 H ILE H1048 9.667 4.439 8.029 1.00 0.00 H ATOM 1568 N GLY H1049 6.043 5.329 6.853 1.00 9.24 N ATOM 1569 CA GLY H1049 4.765 4.774 7.264 1.00 9.55 C ATOM 1570 C GLY H1049 3.761 4.762 6.142 1.00 9.81 C ATOM 1571 O GLY H1049 3.996 5.341 5.092 1.00 10.14 O ATOM 1572 H GLY H1049 6.059 6.214 6.308 1.00 0.00 H ATOM 1573 N GLY H1050 2.660 4.045 6.322 1.00 9.74 N ATOM 1574 CA GLY H1050 1.615 4.049 5.299 1.00 10.16 C ATOM 1575 C GLY H1050 2.122 3.700 3.905 1.00 9.91 C ATOM 1576 O GLY H1050 1.718 4.314 2.912 1.00 10.22 O ATOM 1577 H GLY H1050 2.540 3.482 7.188 1.00 0.00 H ATOM 1578 N THR H1051 2.995 2.698 3.855 1.00 9.56 N ATOM 1579 CA THR H1051 3.650 2.212 2.640 1.00 9.55 C ATOM 1580 C THR H1051 4.758 3.135 2.097 1.00 9.87 C ATOM 1581 O THR H1051 5.896 2.710 1.892 1.00 8.99 O ATOM 1582 CB THR H1051 2.686 1.913 1.473 1.00 9.87 C ATOM 1583 OG1 THR H1051 1.600 1.105 1.913 1.00 10.19 O ATOM 1584 CG2 THR H1051 3.403 1.161 0.374 1.00 10.19 C ATOM 1585 HG1 THR H1051 1.949 0.249 2.268 1.00 0.00 H ATOM 1586 H THR H1051 3.231 2.223 4.749 1.00 0.00 H ATOM 1587 N ASN H1052 4.412 4.375 1.823 1.00 10.70 N ATOM 1588 CA ASN H1052 5.263 5.251 1.049 1.00 11.34 C ATOM 1589 C ASN H1052 5.512 6.633 1.677 1.00 12.23 C ATOM 1590 O ASN H1052 6.036 7.519 1.008 1.00 11.56 O ATOM 1591 CB ASN H1052 4.602 5.443 -0.321 1.00 12.52 C ATOM 1592 CG ASN H1052 3.313 6.231 -0.226 1.00 13.17 C ATOM 1593 OD1 ASN H1052 2.760 6.400 0.841 1.00 14.03 O ATOM 1594 ND2 ASN H1052 2.827 6.721 -1.361 1.00 15.38 N ATOM 1595 HD22 ASN H1052 3.329 6.555 -2.256 1.00 0.00 H ATOM 1596 HD21 ASN H1052 1.944 7.270 -1.354 1.00 0.00 H ATOM 1597 H ASN H1052 3.501 4.735 2.173 1.00 0.00 H ATOM 1598 N ASN H1053 5.135 6.834 2.941 1.00 12.69 N ATOM 1599 CA ASN H1053 5.159 8.167 3.528 1.00 14.56 C ATOM 1600 C ASN H1053 6.386 8.370 4.401 1.00 15.25 C ATOM 1601 O ASN H1053 6.570 7.692 5.415 1.00 14.83 O ATOM 1602 CB ASN H1053 3.901 8.413 4.340 1.00 15.86 C ATOM 1603 CG ASN H1053 3.744 9.865 4.741 1.00 18.40 C ATOM 1604 OD1 ASN H1053 4.135 10.773 4.010 1.00 20.37 O ATOM 1605 ND2 ASN H1053 3.160 10.090 5.903 1.00 20.74 N ATOM 1606 HD22 ASN H1053 2.845 9.291 6.490 1.00 0.00 H ATOM 1607 HD21 ASN H1053 3.015 11.066 6.232 1.00 0.00 H ATOM 1608 H ASN H1053 4.819 6.027 3.516 1.00 0.00 H ATOM 1609 N ARG H1054 7.224 9.322 4.034 1.00 17.38 N ATOM 1610 CA ARG H1054 8.448 9.556 4.778 1.00 20.24 C ATOM 1611 C ARG H1054 8.141 10.351 6.083 1.00 23.44 C ATOM 1612 O ARG H1054 7.669 11.479 5.988 1.00 23.54 O ATOM 1613 CB ARG H1054 9.411 10.269 3.810 1.00 22.50 C ATOM 1614 CG ARG H1054 10.834 10.497 4.255 1.00 23.99 C ATOM 1615 CD ARG H1054 11.577 11.369 3.243 1.00 25.90 C ATOM 1616 NE ARG H1054 11.894 10.649 2.020 1.00 27.28 N ATOM 1617 CZ ARG H1054 11.505 10.954 0.780 1.00 28.18 C ATOM 1618 NH1 ARG H1054 10.766 12.026 0.504 1.00 29.98 N ATOM 1619 NH2 ARG H1054 11.891 10.176 -0.221 1.00 27.78 N ATOM 1620 HE ARG H1054 12.490 9.803 2.123 1.00 0.00 H ATOM 1621 HH12 ARG H1054 10.485 12.225 -0.477 1.00 0.00 H ATOM 1622 HH11 ARG H1054 10.469 12.664 1.270 1.00 0.00 H ATOM 1623 HH22 ARG H1054 11.598 10.397 -1.194 1.00 0.00 H ATOM 1624 HH21 ARG H1054 12.487 9.344 -0.033 1.00 0.00 H ATOM 1625 H ARG H1054 7.005 9.910 3.204 1.00 0.00 H ATOM 1626 N ALA H1055 8.368 9.764 7.280 1.00 24.10 N ATOM 1627 CA ALA H1055 8.161 10.505 8.570 1.00 27.67 C ATOM 1628 C ALA H1055 8.856 11.891 8.589 1.00 29.69 C ATOM 1629 O ALA H1055 9.894 12.060 7.935 1.00 28.91 O ATOM 1630 CB ALA H1055 8.625 9.653 9.769 1.00 26.88 C ATOM 1631 H ALA H1055 8.693 8.777 7.308 1.00 0.00 H ATOM 1632 N PRO H1056 8.292 12.890 9.326 1.00 32.52 N ATOM 1633 CA PRO H1056 8.874 14.254 9.307 1.00 32.68 C ATOM 1634 C PRO H1056 10.382 14.305 9.585 1.00 28.75 C ATOM 1635 O PRO H1056 10.854 13.691 10.558 1.00 29.50 O ATOM 1636 CB PRO H1056 8.080 15.018 10.404 1.00 35.40 C ATOM 1637 CG PRO H1056 7.228 14.004 11.110 1.00 35.18 C ATOM 1638 CD PRO H1056 7.099 12.811 10.194 1.00 34.71 C ATOM 1639 N GLY H1057 11.124 14.999 8.710 1.00 25.80 N ATOM 1640 CA GLY H1057 12.583 15.198 8.862 1.00 22.70 C ATOM 1641 C GLY H1057 13.433 13.965 8.562 1.00 19.85 C ATOM 1642 O GLY H1057 14.584 13.872 8.982 1.00 20.27 O ATOM 1643 H GLY H1057 10.651 15.418 7.884 1.00 0.00 H ATOM 1644 N VAL H1058 12.869 13.001 7.858 1.00 16.37 N ATOM 1645 CA VAL H1058 13.621 11.787 7.507 1.00 14.60 C ATOM 1646 C VAL H1058 14.371 12.069 6.210 1.00 12.92 C ATOM 1647 O VAL H1058 13.828 12.701 5.297 1.00 12.74 O ATOM 1648 CB VAL H1058 12.699 10.543 7.374 1.00 14.60 C ATOM 1649 CG1 VAL H1058 13.372 9.376 6.649 1.00 14.28 C ATOM 1650 CG2 VAL H1058 12.219 10.101 8.746 1.00 16.01 C ATOM 1651 H VAL H1058 11.881 13.101 7.548 1.00 0.00 H ATOM 1652 N PRO H1059 15.642 11.652 6.129 1.00 11.90 N ATOM 1653 CA PRO H1059 16.417 11.968 4.915 1.00 11.23 C ATOM 1654 C PRO H1059 15.787 11.456 3.623 1.00 10.76 C ATOM 1655 O PRO H1059 15.227 10.357 3.608 1.00 9.73 O ATOM 1656 CB PRO H1059 17.754 11.292 5.160 1.00 11.24 C ATOM 1657 CG PRO H1059 17.868 11.243 6.659 1.00 11.65 C ATOM 1658 CD PRO H1059 16.470 11.014 7.157 1.00 11.79 C ATOM 1659 N ALA H1060 15.901 12.263 2.554 1.00 10.21 N ATOM 1660 CA ALA H1060 15.270 11.971 1.285 1.00 9.97 C ATOM 1661 C ALA H1060 15.780 10.699 0.596 1.00 9.53 C ATOM 1662 O ALA H1060 15.091 10.169 -0.264 1.00 9.30 O ATOM 1663 CB ALA H1060 15.406 13.165 0.330 1.00 10.48 C ATOM 1664 H ALA H1060 16.465 13.132 2.643 1.00 0.00 H ATOM 1665 N ARG H1061 16.960 10.207 0.971 1.00 9.24 N ATOM 1666 CA ARG H1061 17.458 8.973 0.375 1.00 8.98 C ATOM 1667 C ARG H1061 16.598 7.764 0.736 1.00 8.66 C ATOM 1668 O ARG H1061 16.689 6.753 0.068 1.00 8.48 O ATOM 1669 CB ARG H1061 18.914 8.707 0.781 1.00 9.12 C ATOM 1670 CG ARG H1061 19.139 8.394 2.250 1.00 9.30 C ATOM 1671 CD ARG H1061 20.652 8.319 2.533 1.00 9.43 C ATOM 1672 NE ARG H1061 20.982 8.148 3.936 1.00 9.72 N ATOM 1673 CZ ARG H1061 21.082 9.144 4.824 1.00 9.94 C ATOM 1674 NH1 ARG H1061 20.830 10.392 4.488 1.00 10.35 N ATOM 1675 NH2 ARG H1061 21.401 8.876 6.086 1.00 10.32 N ATOM 1676 HE ARG H1061 21.153 7.180 4.276 1.00 0.00 H ATOM 1677 HH12 ARG H1061 20.915 11.149 5.197 1.00 0.00 H ATOM 1678 HH11 ARG H1061 20.546 10.621 3.514 1.00 0.00 H ATOM 1679 HH22 ARG H1061 21.479 9.649 6.778 1.00 0.00 H ATOM 1680 HH21 ARG H1061 21.572 7.894 6.382 1.00 0.00 H ATOM 1681 H ARG H1061 17.526 10.703 1.689 1.00 0.00 H ATOM 1682 N PHE H1062 15.784 7.866 1.785 1.00 8.41 N ATOM 1683 CA PHE H1062 14.856 6.778 2.152 1.00 8.19 C ATOM 1684 C PHE H1062 13.534 6.919 1.428 1.00 8.47 C ATOM 1685 O PHE H1062 12.927 7.991 1.426 1.00 8.62 O ATOM 1686 CB PHE H1062 14.613 6.736 3.668 1.00 8.21 C ATOM 1687 CG PHE H1062 15.839 6.467 4.468 1.00 7.93 C ATOM 1688 CD1 PHE H1062 16.334 5.174 4.614 1.00 7.89 C ATOM 1689 CD2 PHE H1062 16.518 7.512 5.090 1.00 8.08 C ATOM 1690 CE1 PHE H1062 17.478 4.925 5.341 1.00 7.90 C ATOM 1691 CE2 PHE H1062 17.678 7.264 5.799 1.00 8.13 C ATOM 1692 CZ PHE H1062 18.149 5.979 5.951 1.00 7.95 C ATOM 1693 H PHE H1062 15.802 8.733 2.359 1.00 0.00 H ATOM 1694 N SER H1063 13.068 5.821 0.829 1.00 8.45 N ATOM 1695 CA SER H1063 11.748 5.809 0.239 1.00 9.03 C ATOM 1696 C SER H1063 11.094 4.467 0.409 1.00 8.88 C ATOM 1697 O SER H1063 11.774 3.447 0.461 1.00 8.70 O ATOM 1698 CB SER H1063 11.774 6.207 -1.239 1.00 9.48 C ATOM 1699 OG SER H1063 12.514 5.295 -2.022 1.00 9.92 O ATOM 1700 HG SER H1063 13.448 5.263 -1.695 1.00 0.00 H ATOM 1701 H SER H1063 13.659 4.967 0.786 1.00 0.00 H ATOM 1702 N GLY H1064 9.770 4.490 0.524 1.00 8.78 N ATOM 1703 CA GLY H1064 8.995 3.272 0.672 1.00 8.95 C ATOM 1704 C GLY H1064 8.097 3.051 -0.513 1.00 9.49 C ATOM 1705 O GLY H1064 7.565 4.006 -1.079 1.00 9.86 O ATOM 1706 H GLY H1064 9.276 5.405 0.507 1.00 0.00 H ATOM 1707 N SER H1065 7.935 1.782 -0.903 1.00 9.92 N ATOM 1708 CA SER H1065 7.042 1.424 -1.990 1.00 10.23 C ATOM 1709 C SER H1065 6.599 -0.031 -1.891 1.00 10.33 C ATOM 1710 O SER H1065 6.997 -0.758 -0.972 1.00 10.14 O ATOM 1711 CB SER H1065 7.705 1.669 -3.351 1.00 10.58 C ATOM 1712 OG SER H1065 8.563 0.601 -3.727 1.00 10.42 O ATOM 1713 HG SER H1065 8.968 0.800 -4.608 1.00 0.00 H ATOM 1714 H SER H1065 8.463 1.031 -0.414 1.00 0.00 H ATOM 1715 N LEU H1066 5.750 -0.416 -2.834 1.00 10.84 N ATOM 1716 CA LEU H1066 5.393 -1.801 -3.059 1.00 11.52 C ATOM 1717 C LEU H1066 6.100 -2.196 -4.343 1.00 11.89 C ATOM 1718 O LEU H1066 5.978 -1.505 -5.360 1.00 12.59 O ATOM 1719 CB LEU H1066 3.873 -1.972 -3.253 1.00 12.20 C ATOM 1720 CG LEU H1066 3.055 -1.647 -1.996 1.00 12.29 C ATOM 1721 CD1 LEU H1066 1.547 -1.591 -2.273 1.00 13.40 C ATOM 1722 CD2 LEU H1066 3.387 -2.572 -0.829 1.00 11.94 C ATOM 1723 H LEU H1066 5.320 0.311 -3.441 1.00 0.00 H ATOM 1724 N ILE H1067 6.846 -3.286 -4.275 1.00 11.82 N ATOM 1725 CA ILE H1067 7.495 -3.870 -5.426 1.00 12.20 C ATOM 1726 C ILE H1067 7.050 -5.309 -5.510 1.00 11.82 C ATOM 1727 O ILE H1067 7.291 -6.105 -4.594 1.00 11.10 O ATOM 1728 CB ILE H1067 9.023 -3.794 -5.329 1.00 12.75 C ATOM 1729 CG1 ILE H1067 9.441 -2.328 -5.175 1.00 12.96 C ATOM 1730 CG2 ILE H1067 9.656 -4.419 -6.578 1.00 13.46 C ATOM 1731 CD1 ILE H1067 10.917 -2.095 -4.898 1.00 13.47 C ATOM 1732 H ILE H1067 6.971 -3.744 -3.350 1.00 0.00 H ATOM 1733 N GLY H1068 6.392 -5.641 -6.617 1.00 12.00 N ATOM 1734 CA GLY H1068 5.792 -6.965 -6.751 1.00 12.23 C ATOM 1735 C GLY H1068 4.783 -7.163 -5.626 1.00 11.88 C ATOM 1736 O GLY H1068 3.939 -6.291 -5.370 1.00 12.21 O ATOM 1737 H GLY H1068 6.304 -4.953 -7.392 1.00 0.00 H ATOM 1738 N ASP H1069 4.897 -8.309 -4.966 1.00 11.52 N ATOM 1739 CA ASP H1069 4.031 -8.679 -3.864 1.00 11.62 C ATOM 1740 C ASP H1069 4.575 -8.344 -2.490 1.00 10.92 C ATOM 1741 O ASP H1069 4.049 -8.852 -1.508 1.00 10.53 O ATOM 1742 CB ASP H1069 3.673 -10.187 -3.921 1.00 12.29 C ATOM 1743 CG ASP H1069 4.888 -11.104 -3.803 1.00 12.81 C ATOM 1744 OD1 ASP H1069 6.026 -10.634 -3.970 1.00 13.19 O ATOM 1745 OD2 ASP H1069 4.713 -12.332 -3.591 1.00 14.89 O ATOM 1746 H ASP H1069 5.644 -8.973 -5.253 1.00 0.00 H ATOM 1747 N LYS H1070 5.583 -7.466 -2.404 1.00 9.98 N ATOM 1748 CA LYS H1070 6.222 -7.100 -1.143 1.00 9.98 C ATOM 1749 C LYS H1070 6.224 -5.592 -0.915 1.00 9.35 C ATOM 1750 O LYS H1070 6.098 -4.801 -1.862 1.00 9.79 O ATOM 1751 CB LYS H1070 7.669 -7.595 -1.097 1.00 10.26 C ATOM 1752 CG LYS H1070 7.779 -9.104 -1.093 1.00 10.81 C ATOM 1753 CD LYS H1070 9.207 -9.558 -0.844 1.00 11.34 C ATOM 1754 CE LYS H1070 10.061 -9.383 -2.074 1.00 12.20 C ATOM 1755 NZ LYS H1070 11.395 -10.070 -1.937 1.00 12.89 N ATOM 1756 HZ1 LYS H1070 11.908 -9.670 -1.125 1.00 0.00 H ATOM 1757 HZ2 LYS H1070 11.245 -11.088 -1.787 1.00 0.00 H ATOM 1758 HZ3 LYS H1070 11.949 -9.924 -2.805 1.00 0.00 H ATOM 1759 H LYS H1070 5.928 -7.023 -3.279 1.00 0.00 H ATOM 1760 N ALA H1071 6.383 -5.191 0.340 1.00 8.84 N ATOM 1761 CA ALA H1071 6.755 -3.812 0.639 1.00 8.68 C ATOM 1762 C ALA H1071 8.269 -3.690 0.582 1.00 8.48 C ATOM 1763 O ALA H1071 9.000 -4.660 0.832 1.00 8.35 O ATOM 1764 CB ALA H1071 6.243 -3.376 1.996 1.00 8.38 C ATOM 1765 H ALA H1071 6.241 -5.866 1.118 1.00 0.00 H ATOM 1766 N ALA H1072 8.739 -2.495 0.217 1.00 8.39 N ATOM 1767 CA ALA H1072 10.181 -2.271 0.016 1.00 8.20 C ATOM 1768 C ALA H1072 10.614 -0.927 0.528 1.00 8.25 C ATOM 1769 O ALA H1072 9.899 0.063 0.354 1.00 8.80 O ATOM 1770 CB ALA H1072 10.527 -2.390 -1.457 1.00 8.50 C ATOM 1771 H ALA H1072 8.075 -1.708 0.072 1.00 0.00 H ATOM 1772 N LEU H1073 11.756 -0.932 1.221 1.00 7.87 N ATOM 1773 CA LEU H1073 12.485 0.271 1.606 1.00 7.81 C ATOM 1774 C LEU H1073 13.677 0.399 0.680 1.00 8.10 C ATOM 1775 O LEU H1073 14.541 -0.476 0.640 1.00 7.89 O ATOM 1776 CB LEU H1073 12.956 0.168 3.044 1.00 7.88 C ATOM 1777 CG LEU H1073 13.789 1.326 3.580 1.00 8.05 C ATOM 1778 CD1 LEU H1073 12.914 2.566 3.706 1.00 8.42 C ATOM 1779 CD2 LEU H1073 14.445 1.000 4.900 1.00 8.25 C ATOM 1780 H LEU H1073 12.150 -1.852 1.504 1.00 0.00 H ATOM 1781 N THR H1074 13.763 1.519 -0.033 1.00 8.06 N ATOM 1782 CA THR H1074 14.897 1.750 -0.924 1.00 8.58 C ATOM 1783 C THR H1074 15.739 2.877 -0.334 1.00 8.41 C ATOM 1784 O THR H1074 15.189 3.893 0.082 1.00 8.24 O ATOM 1785 CB THR H1074 14.413 2.137 -2.330 1.00 8.87 C ATOM 1786 OG1 THR H1074 13.612 1.083 -2.886 1.00 9.23 O ATOM 1787 CG2 THR H1074 15.584 2.402 -3.279 1.00 9.21 C ATOM 1788 HG1 THR H1074 12.827 0.925 -2.304 1.00 0.00 H ATOM 1789 H THR H1074 13.015 2.237 0.045 1.00 0.00 H ATOM 1790 N ILE H1075 17.051 2.682 -0.270 1.00 8.01 N ATOM 1791 CA ILE H1075 17.966 3.737 0.112 1.00 8.29 C ATOM 1792 C ILE H1075 18.755 4.076 -1.158 1.00 8.48 C ATOM 1793 O ILE H1075 19.566 3.262 -1.646 1.00 8.41 O ATOM 1794 CB ILE H1075 18.925 3.337 1.271 1.00 8.66 C ATOM 1795 CG1 ILE H1075 18.162 2.743 2.460 1.00 8.97 C ATOM 1796 CG2 ILE H1075 19.716 4.548 1.719 1.00 8.70 C ATOM 1797 CD1 ILE H1075 19.086 2.165 3.513 1.00 9.46 C ATOM 1798 H ILE H1075 17.433 1.743 -0.501 1.00 0.00 H ATOM 1799 N THR H1076 18.485 5.251 -1.716 1.00 8.27 N ATOM 1800 CA THR H1076 19.102 5.674 -2.962 1.00 8.46 C ATOM 1801 C THR H1076 20.329 6.480 -2.618 1.00 8.53 C ATOM 1802 O THR H1076 20.242 7.705 -2.381 1.00 9.11 O ATOM 1803 CB THR H1076 18.096 6.462 -3.802 1.00 8.77 C ATOM 1804 OG1 THR H1076 16.966 5.606 -4.079 1.00 9.06 O ATOM 1805 CG2 THR H1076 18.723 6.925 -5.086 1.00 8.99 C ATOM 1806 HG1 THR H1076 16.550 5.325 -3.226 1.00 0.00 H ATOM 1807 H THR H1076 17.811 5.888 -1.246 1.00 0.00 H ATOM 1808 N GLY H1077 21.463 5.780 -2.552 1.00 8.15 N ATOM 1809 CA GLY H1077 22.732 6.381 -2.085 1.00 8.32 C ATOM 1810 C GLY H1077 22.945 6.107 -0.621 1.00 8.29 C ATOM 1811 O GLY H1077 22.796 6.988 0.211 1.00 8.23 O ATOM 1812 H GLY H1077 21.455 4.780 -2.838 1.00 0.00 H ATOM 1813 N ALA H1078 23.234 4.840 -0.301 1.00 8.18 N ATOM 1814 CA ALA H1078 23.471 4.449 1.066 1.00 8.44 C ATOM 1815 C ALA H1078 24.626 5.250 1.665 1.00 8.82 C ATOM 1816 O ALA H1078 25.611 5.601 0.968 1.00 9.05 O ATOM 1817 CB ALA H1078 23.783 2.967 1.139 1.00 8.62 C ATOM 1818 H ALA H1078 23.289 4.124 -1.053 1.00 0.00 H ATOM 1819 N GLN H1079 24.493 5.553 2.953 1.00 9.04 N ATOM 1820 CA GLN H1079 25.523 6.277 3.682 1.00 9.52 C ATOM 1821 C GLN H1079 26.045 5.383 4.813 1.00 10.13 C ATOM 1822 O GLN H1079 25.368 4.483 5.284 1.00 9.81 O ATOM 1823 CB GLN H1079 24.981 7.626 4.149 1.00 9.52 C ATOM 1824 CG GLN H1079 24.561 8.464 2.952 1.00 9.57 C ATOM 1825 CD GLN H1079 24.073 9.887 3.232 1.00 10.03 C ATOM 1826 OE1 GLN H1079 23.546 10.496 2.331 1.00 10.06 O ATOM 1827 NE2 GLN H1079 24.222 10.407 4.459 1.00 10.41 N ATOM 1828 HE22 GLN H1079 24.681 9.850 5.208 1.00 0.00 H ATOM 1829 HE21 GLN H1079 23.878 11.367 4.662 1.00 0.00 H ATOM 1830 H GLN H1079 23.628 5.264 3.453 1.00 0.00 H ATOM 1831 N THR H1080 27.287 5.586 5.197 1.00 10.83 N ATOM 1832 CA THR H1080 27.919 4.759 6.231 1.00 11.30 C ATOM 1833 C THR H1080 27.072 4.645 7.485 1.00 11.41 C ATOM 1834 O THR H1080 26.937 3.576 8.063 1.00 12.10 O ATOM 1835 CB THR H1080 29.236 5.383 6.668 1.00 11.88 C ATOM 1836 OG1 THR H1080 29.001 6.753 7.010 1.00 13.15 O ATOM 1837 CG2 THR H1080 30.253 5.286 5.565 1.00 11.79 C ATOM 1838 HG1 THR H1080 28.646 7.233 6.220 1.00 0.00 H ATOM 1839 H THR H1080 27.835 6.352 4.756 1.00 0.00 H ATOM 1840 N GLU H1081 26.487 5.767 7.904 1.00 11.56 N ATOM 1841 CA GLU H1081 25.664 5.798 9.123 1.00 11.69 C ATOM 1842 C GLU H1081 24.341 5.039 8.993 1.00 10.76 C ATOM 1843 O GLU H1081 23.621 4.890 9.964 1.00 10.54 O ATOM 1844 CB GLU H1081 25.375 7.239 9.543 1.00 12.56 C ATOM 1845 CG GLU H1081 24.579 8.044 8.536 1.00 13.05 C ATOM 1846 CD GLU H1081 25.447 8.856 7.580 1.00 13.92 C ATOM 1847 OE1 GLU H1081 26.591 8.444 7.220 1.00 14.68 O ATOM 1848 OE2 GLU H1081 24.984 9.944 7.176 1.00 14.00 O ATOM 1849 H GLU H1081 26.615 6.642 7.356 1.00 0.00 H ATOM 1850 N ASP H1082 24.034 4.550 7.794 1.00 10.09 N ATOM 1851 CA ASP H1082 22.817 3.780 7.586 1.00 9.84 C ATOM 1852 C ASP H1082 22.996 2.314 7.988 1.00 9.92 C ATOM 1853 O ASP H1082 22.039 1.528 7.944 1.00 9.63 O ATOM 1854 CB ASP H1082 22.381 3.879 6.142 1.00 9.30 C ATOM 1855 CG ASP H1082 21.999 5.293 5.743 1.00 9.06 C ATOM 1856 OD1 ASP H1082 21.607 6.083 6.632 1.00 9.48 O ATOM 1857 OD2 ASP H1082 22.113 5.618 4.544 1.00 8.39 O ATOM 1858 H ASP H1082 24.674 4.721 6.993 1.00 0.00 H ATOM 1859 N GLU H1083 24.213 1.929 8.363 1.00 10.18 N ATOM 1860 CA GLU H1083 24.429 0.606 8.922 1.00 10.72 C ATOM 1861 C GLU H1083 23.638 0.501 10.239 1.00 10.46 C ATOM 1862 O GLU H1083 23.841 1.276 11.190 1.00 10.71 O ATOM 1863 CB GLU H1083 25.918 0.347 9.090 1.00 11.77 C ATOM 1864 CG GLU H1083 26.245 -0.946 9.806 1.00 12.81 C ATOM 1865 CD GLU H1083 27.653 -1.426 9.561 1.00 14.23 C ATOM 1866 OE1 GLU H1083 28.167 -1.383 8.419 1.00 13.80 O ATOM 1867 OE2 GLU H1083 28.265 -1.874 10.551 1.00 17.11 O ATOM 1868 H GLU H1083 25.016 2.581 8.255 1.00 0.00 H ATOM 1869 N ALA H1084 22.677 -0.421 10.241 1.00 9.83 N ATOM 1870 CA ALA H1084 21.653 -0.486 11.276 1.00 10.10 C ATOM 1871 C ALA H1084 20.789 -1.712 11.002 1.00 9.95 C ATOM 1872 O ALA H1084 20.986 -2.396 9.994 1.00 10.18 O ATOM 1873 CB ALA H1084 20.809 0.782 11.241 1.00 10.07 C ATOM 1874 H ALA H1084 22.656 -1.122 9.473 1.00 0.00 H ATOM 1875 N ILE H1085 19.837 -1.976 11.893 1.00 9.95 N ATOM 1876 CA ILE H1085 18.848 -3.014 11.687 1.00 9.80 C ATOM 1877 C ILE H1085 17.548 -2.317 11.315 1.00 9.54 C ATOM 1878 O ILE H1085 17.146 -1.354 11.969 1.00 10.49 O ATOM 1879 CB ILE H1085 18.655 -3.864 12.946 1.00 10.31 C ATOM 1880 CG1 ILE H1085 19.985 -4.533 13.277 1.00 11.04 C ATOM 1881 CG2 ILE H1085 17.528 -4.857 12.726 1.00 10.12 C ATOM 1882 CD1 ILE H1085 20.019 -5.227 14.612 1.00 11.85 C ATOM 1883 H ILE H1085 19.802 -1.417 12.769 1.00 0.00 H ATOM 1884 N TYR H1086 16.891 -2.799 10.276 1.00 8.71 N ATOM 1885 CA TYR H1086 15.671 -2.185 9.774 1.00 8.45 C ATOM 1886 C TYR H1086 14.549 -3.184 9.930 1.00 8.29 C ATOM 1887 O TYR H1086 14.681 -4.309 9.427 1.00 7.80 O ATOM 1888 CB TYR H1086 15.807 -1.837 8.277 1.00 8.29 C ATOM 1889 CG TYR H1086 16.801 -0.726 8.073 1.00 8.21 C ATOM 1890 CD1 TYR H1086 18.157 -0.994 8.104 1.00 8.23 C ATOM 1891 CD2 TYR H1086 16.382 0.606 7.943 1.00 8.06 C ATOM 1892 CE1 TYR H1086 19.091 0.019 7.948 1.00 8.42 C ATOM 1893 CE2 TYR H1086 17.312 1.632 7.792 1.00 8.27 C ATOM 1894 CZ TYR H1086 18.655 1.334 7.790 1.00 8.38 C ATOM 1895 OH TYR H1086 19.564 2.347 7.666 1.00 9.01 O ATOM 1896 HH TYR H1086 20.480 1.971 7.682 1.00 0.00 H ATOM 1897 H TYR H1086 17.258 -3.647 9.800 1.00 0.00 H ATOM 1898 N PHE H1087 13.489 -2.791 10.642 1.00 8.20 N ATOM 1899 CA PHE H1087 12.310 -3.624 10.831 1.00 8.54 C ATOM 1900 C PHE H1087 11.156 -3.095 9.995 1.00 8.85 C ATOM 1901 O PHE H1087 10.944 -1.875 9.894 1.00 9.83 O ATOM 1902 CB PHE H1087 11.866 -3.610 12.301 1.00 8.61 C ATOM 1903 CG PHE H1087 12.807 -4.304 13.226 1.00 8.84 C ATOM 1904 CD1 PHE H1087 12.678 -5.662 13.461 1.00 9.19 C ATOM 1905 CD2 PHE H1087 13.831 -3.605 13.857 1.00 9.16 C ATOM 1906 CE1 PHE H1087 13.546 -6.311 14.313 1.00 9.46 C ATOM 1907 CE2 PHE H1087 14.712 -4.255 14.718 1.00 9.59 C ATOM 1908 CZ PHE H1087 14.559 -5.606 14.944 1.00 9.66 C ATOM 1909 H PHE H1087 13.507 -1.848 11.081 1.00 0.00 H ATOM 1910 N CYS H1088 10.387 -3.991 9.403 1.00 9.05 N ATOM 1911 CA CYS H1088 9.121 -3.594 8.805 1.00 9.90 C ATOM 1912 C CYS H1088 7.974 -4.065 9.678 1.00 9.30 C ATOM 1913 O CYS H1088 8.095 -5.060 10.394 1.00 9.68 O ATOM 1914 CB CYS H1088 9.001 -4.127 7.401 1.00 11.24 C ATOM 1915 SG CYS H1088 8.746 -5.887 7.276 1.00 14.07 S ATOM 1916 H CYS H1088 10.688 -4.986 9.364 1.00 0.00 H ATOM 1917 N ALA H1089 6.881 -3.322 9.646 1.00 8.72 N ATOM 1918 CA ALA H1089 5.660 -3.699 10.355 1.00 8.24 C ATOM 1919 C ALA H1089 4.512 -3.672 9.384 1.00 7.85 C ATOM 1920 O ALA H1089 4.390 -2.721 8.617 1.00 7.44 O ATOM 1921 CB ALA H1089 5.404 -2.736 11.497 1.00 8.59 C ATOM 1922 H ALA H1089 6.890 -2.439 9.097 1.00 0.00 H ATOM 1923 N LEU H1090 3.660 -4.711 9.432 1.00 7.37 N ATOM 1924 CA LEU H1090 2.487 -4.803 8.603 1.00 7.67 C ATOM 1925 C LEU H1090 1.233 -4.873 9.450 1.00 7.71 C ATOM 1926 O LEU H1090 1.206 -5.512 10.496 1.00 8.07 O ATOM 1927 CB LEU H1090 2.542 -6.016 7.688 1.00 7.64 C ATOM 1928 CG LEU H1090 3.703 -6.080 6.700 1.00 7.70 C ATOM 1929 CD1 LEU H1090 3.562 -7.326 5.811 1.00 8.01 C ATOM 1930 CD2 LEU H1090 3.847 -4.813 5.870 1.00 7.86 C ATOM 1931 H LEU H1090 3.858 -5.484 10.099 1.00 0.00 H ATOM 1932 N TRP H1091 0.197 -4.216 8.968 1.00 8.09 N ATOM 1933 CA TRP H1091 -1.115 -4.186 9.633 1.00 8.55 C ATOM 1934 C TRP H1091 -2.053 -5.216 9.053 1.00 9.02 C ATOM 1935 O TRP H1091 -2.197 -5.312 7.827 1.00 8.78 O ATOM 1936 CB TRP H1091 -1.730 -2.823 9.395 1.00 8.80 C ATOM 1937 CG TRP H1091 -3.104 -2.557 9.861 1.00 9.02 C ATOM 1938 CD1 TRP H1091 -4.235 -2.436 9.087 1.00 9.55 C ATOM 1939 CD2 TRP H1091 -3.507 -2.277 11.199 1.00 9.09 C ATOM 1940 NE1 TRP H1091 -5.322 -2.122 9.882 1.00 9.70 N ATOM 1941 CE2 TRP H1091 -4.895 -1.995 11.176 1.00 9.48 C ATOM 1942 CE3 TRP H1091 -2.833 -2.237 12.410 1.00 8.98 C ATOM 1943 CZ2 TRP H1091 -5.618 -1.686 12.340 1.00 9.58 C ATOM 1944 CZ3 TRP H1091 -3.544 -1.927 13.574 1.00 9.25 C ATOM 1945 CH2 TRP H1091 -4.927 -1.638 13.522 1.00 9.42 C ATOM 1946 HE1 TRP H1091 -6.301 -2.002 9.552 1.00 0.00 H ATOM 1947 H TRP H1091 0.312 -3.694 8.076 1.00 0.00 H ATOM 1948 N TYR H1092 -2.731 -5.943 9.946 1.00 9.63 N ATOM 1949 CA TYR H1092 -3.667 -7.000 9.556 1.00 10.84 C ATOM 1950 C TYR H1092 -5.004 -6.775 10.247 1.00 11.96 C ATOM 1951 O TYR H1092 -5.296 -7.412 11.251 1.00 12.45 O ATOM 1952 CB TYR H1092 -3.093 -8.369 9.940 1.00 10.96 C ATOM 1953 CG TYR H1092 -1.849 -8.761 9.155 1.00 10.70 C ATOM 1954 CD1 TYR H1092 -1.950 -9.397 7.914 1.00 11.22 C ATOM 1955 CD2 TYR H1092 -0.573 -8.528 9.665 1.00 10.76 C ATOM 1956 CE1 TYR H1092 -0.821 -9.771 7.213 1.00 10.90 C ATOM 1957 CE2 TYR H1092 0.566 -8.890 8.960 1.00 10.73 C ATOM 1958 CZ TYR H1092 0.440 -9.501 7.732 1.00 10.76 C ATOM 1959 OH TYR H1092 1.579 -9.875 7.048 1.00 11.59 O ATOM 1960 HH TYR H1092 1.323 -10.297 6.190 1.00 0.00 H ATOM 1961 H TYR H1092 -2.588 -5.751 10.958 1.00 0.00 H ATOM 1962 N SER H1093 -5.760 -5.818 9.715 1.00 13.61 N ATOM 1963 CA SER H1093 -7.137 -5.442 10.141 1.00 15.12 C ATOM 1964 C SER H1093 -7.239 -4.719 11.469 1.00 14.75 C ATOM 1965 O SER H1093 -7.949 -3.715 11.562 1.00 15.68 O ATOM 1966 CB SER H1093 -8.101 -6.641 10.153 1.00 16.39 C ATOM 1967 OG SER H1093 -8.229 -7.167 8.851 1.00 18.12 O ATOM 1968 HG SER H1093 -8.850 -7.938 8.867 1.00 0.00 H ATOM 1969 H SER H1093 -5.350 -5.280 8.925 1.00 0.00 H ATOM 1970 N ASN H1094 -6.595 -5.271 12.494 1.00 14.29 N ATOM 1971 CA ASN H1094 -6.707 -4.771 13.848 1.00 14.58 C ATOM 1972 C ASN H1094 -5.476 -5.024 14.714 1.00 13.53 C ATOM 1973 O ASN H1094 -5.554 -4.888 15.926 1.00 14.53 O ATOM 1974 CB ASN H1094 -7.944 -5.399 14.522 1.00 16.04 C ATOM 1975 CG ASN H1094 -7.864 -6.922 14.612 1.00 16.97 C ATOM 1976 OD1 ASN H1094 -6.862 -7.541 14.256 1.00 17.71 O ATOM 1977 ND2 ASN H1094 -8.942 -7.536 15.104 1.00 18.76 N ATOM 1978 HD22 ASN H1094 -9.771 -6.979 15.395 1.00 0.00 H ATOM 1979 HD21 ASN H1094 -8.953 -8.572 15.197 1.00 0.00 H ATOM 1980 H ASN H1094 -5.986 -6.095 12.315 1.00 0.00 H ATOM 1981 N HIS H1095 -4.342 -5.390 14.109 1.00 11.78 N ATOM 1982 CA HIS H1095 -3.111 -5.563 14.864 1.00 11.45 C ATOM 1983 C HIS H1095 -1.926 -5.501 13.914 1.00 10.00 C ATOM 1984 O HIS H1095 -2.116 -5.611 12.705 1.00 9.86 O ATOM 1985 CB HIS H1095 -3.103 -6.883 15.628 1.00 11.99 C ATOM 1986 CG HIS H1095 -3.034 -8.097 14.755 1.00 12.62 C ATOM 1987 ND1 HIS H1095 -1.951 -8.954 14.756 1.00 13.55 N ATOM 1988 CD2 HIS H1095 -3.934 -8.637 13.903 1.00 13.05 C ATOM 1989 CE1 HIS H1095 -2.172 -9.947 13.913 1.00 12.94 C ATOM 1990 NE2 HIS H1095 -3.366 -9.779 13.382 1.00 13.86 N ATOM 1991 H HIS H1095 -4.340 -5.554 13.082 1.00 0.00 H ATOM 1992 N TRP H1096 -0.735 -5.308 14.486 1.00 9.19 N ATOM 1993 CA TRP H1096 0.511 -5.239 13.748 1.00 8.44 C ATOM 1994 C TRP H1096 1.364 -6.477 13.979 1.00 8.63 C ATOM 1995 O TRP H1096 1.379 -7.037 15.074 1.00 8.77 O ATOM 1996 CB TRP H1096 1.352 -4.039 14.223 1.00 8.22 C ATOM 1997 CG TRP H1096 0.751 -2.706 13.925 1.00 8.11 C ATOM 1998 CD1 TRP H1096 -0.039 -1.951 14.758 1.00 8.24 C ATOM 1999 CD2 TRP H1096 0.888 -1.964 12.715 1.00 7.92 C ATOM 2000 NE1 TRP H1096 -0.393 -0.775 14.135 1.00 8.37 N ATOM 2001 CE2 TRP H1096 0.181 -0.746 12.888 1.00 8.03 C ATOM 2002 CE3 TRP H1096 1.592 -2.173 11.517 1.00 7.76 C ATOM 2003 CZ2 TRP H1096 0.100 0.217 11.876 1.00 7.98 C ATOM 2004 CZ3 TRP H1096 1.521 -1.206 10.518 1.00 7.82 C ATOM 2005 CH2 TRP H1096 0.785 -0.027 10.703 1.00 7.83 C ATOM 2006 HE1 TRP H1096 -0.996 -0.031 14.542 1.00 0.00 H ATOM 2007 H TRP H1096 -0.699 -5.201 15.520 1.00 0.00 H ATOM 2008 N VAL H1097 2.097 -6.864 12.941 1.00 8.15 N ATOM 2009 CA VAL H1097 3.125 -7.893 13.024 1.00 8.76 C ATOM 2010 C VAL H1097 4.427 -7.319 12.461 1.00 8.86 C ATOM 2011 O VAL H1097 4.440 -6.770 11.354 1.00 8.99 O ATOM 2012 CB VAL H1097 2.735 -9.172 12.284 1.00 8.66 C ATOM 2013 CG1 VAL H1097 3.808 -10.233 12.535 1.00 9.13 C ATOM 2014 CG2 VAL H1097 1.359 -9.644 12.766 1.00 8.87 C ATOM 2015 H VAL H1097 1.928 -6.409 12.021 1.00 0.00 H ATOM 2016 N PHE H1098 5.521 -7.428 13.235 1.00 9.79 N ATOM 2017 CA PHE H1098 6.834 -6.942 12.832 1.00 10.20 C ATOM 2018 C PHE H1098 7.611 -8.075 12.202 1.00 10.29 C ATOM 2019 O PHE H1098 7.536 -9.254 12.640 1.00 11.29 O ATOM 2020 CB PHE H1098 7.629 -6.391 14.034 1.00 10.77 C ATOM 2021 CG PHE H1098 7.209 -5.021 14.468 1.00 11.32 C ATOM 2022 CD1 PHE H1098 6.103 -4.832 15.298 1.00 12.22 C ATOM 2023 CD2 PHE H1098 7.948 -3.903 14.084 1.00 11.38 C ATOM 2024 CE1 PHE H1098 5.729 -3.555 15.676 1.00 12.56 C ATOM 2025 CE2 PHE H1098 7.588 -2.637 14.475 1.00 11.77 C ATOM 2026 CZ PHE H1098 6.476 -2.456 15.275 1.00 12.19 C ATOM 2027 H PHE H1098 5.425 -7.881 14.166 1.00 0.00 H ATOM 2028 N GLY H1099 8.362 -7.732 11.175 1.00 9.59 N ATOM 2029 CA GLY H1099 9.304 -8.649 10.588 1.00 9.79 C ATOM 2030 C GLY H1099 10.452 -8.887 11.548 1.00 9.59 C ATOM 2031 O GLY H1099 10.533 -8.253 12.608 1.00 9.43 O ATOM 2032 H GLY H1099 8.272 -6.775 10.778 1.00 0.00 H ATOM 2033 N GLY H1100 11.351 -9.779 11.161 1.00 9.53 N ATOM 2034 CA GLY H1100 12.504 -10.161 11.977 1.00 9.71 C ATOM 2035 C GLY H1100 13.670 -9.192 11.939 1.00 9.61 C ATOM 2036 O GLY H1100 14.603 -9.318 12.716 1.00 10.67 O ATOM 2037 H GLY H1100 11.232 -10.230 10.232 1.00 0.00 H ATOM 2038 N GLY H1101 13.612 -8.216 11.039 1.00 9.05 N ATOM 2039 CA GLY H1101 14.645 -7.226 10.882 1.00 8.76 C ATOM 2040 C GLY H1101 15.695 -7.622 9.879 1.00 8.80 C ATOM 2041 O GLY H1101 16.023 -8.815 9.740 1.00 9.19 O ATOM 2042 H GLY H1101 12.780 -8.165 10.418 1.00 0.00 H ATOM 2043 N THR H1102 16.246 -6.628 9.198 1.00 8.54 N ATOM 2044 CA THR H1102 17.376 -6.843 8.285 1.00 8.47 C ATOM 2045 C THR H1102 18.572 -6.122 8.845 1.00 9.25 C ATOM 2046 O THR H1102 18.501 -4.904 9.075 1.00 9.01 O ATOM 2047 CB THR H1102 17.074 -6.253 6.894 1.00 8.29 C ATOM 2048 OG1 THR H1102 15.974 -6.964 6.313 1.00 8.20 O ATOM 2049 CG2 THR H1102 18.276 -6.373 5.976 1.00 8.18 C ATOM 2050 HG1 THR H1102 16.211 -7.921 6.225 1.00 0.00 H ATOM 2051 H THR H1102 15.867 -5.666 9.313 1.00 0.00 H ATOM 2052 N LYS H1103 19.677 -6.845 9.043 1.00 10.43 N ATOM 2053 CA LYS H1103 20.934 -6.198 9.391 1.00 11.64 C ATOM 2054 C LYS H1103 21.598 -5.672 8.112 1.00 11.02 C ATOM 2055 O LYS H1103 22.063 -6.468 7.282 1.00 10.54 O ATOM 2056 CB LYS H1103 21.870 -7.201 10.084 1.00 14.18 C ATOM 2057 CG LYS H1103 21.332 -7.715 11.420 1.00 17.20 C ATOM 2058 CD LYS H1103 22.417 -7.763 12.510 1.00 21.32 C ATOM 2059 CE LYS H1103 23.090 -6.390 12.724 1.00 23.39 C ATOM 2060 NZ LYS H1103 23.607 -6.123 14.109 1.00 25.57 N ATOM 2061 HZ1 LYS H1103 22.819 -6.170 14.787 1.00 0.00 H ATOM 2062 HZ2 LYS H1103 24.321 -6.838 14.355 1.00 0.00 H ATOM 2063 HZ3 LYS H1103 24.037 -5.177 14.141 1.00 0.00 H ATOM 2064 H LYS H1103 19.639 -7.880 8.948 1.00 0.00 H ATOM 2065 N LEU H1104 21.645 -4.350 7.957 1.00 10.78 N ATOM 2066 CA LEU H1104 22.269 -3.736 6.792 1.00 10.39 C ATOM 2067 C LEU H1104 23.681 -3.345 7.150 1.00 10.76 C ATOM 2068 O LEU H1104 23.890 -2.559 8.065 1.00 10.07 O ATOM 2069 CB LEU H1104 21.490 -2.491 6.331 1.00 10.15 C ATOM 2070 CG LEU H1104 22.053 -1.755 5.112 1.00 10.21 C ATOM 2071 CD1 LEU H1104 21.977 -2.612 3.851 1.00 10.35 C ATOM 2072 CD2 LEU H1104 21.336 -0.432 4.892 1.00 10.03 C ATOM 2073 H LEU H1104 21.225 -3.740 8.687 1.00 0.00 H ATOM 2074 N THR H1105 24.646 -3.904 6.413 1.00 11.36 N ATOM 2075 CA THR H1105 26.035 -3.537 6.552 1.00 12.30 C ATOM 2076 C THR H1105 26.357 -2.589 5.408 1.00 12.48 C ATOM 2077 O THR H1105 25.993 -2.849 4.253 1.00 11.55 O ATOM 2078 CB THR H1105 26.947 -4.791 6.472 1.00 13.60 C ATOM 2079 OG1 THR H1105 26.641 -5.669 7.574 1.00 15.61 O ATOM 2080 CG2 THR H1105 28.396 -4.386 6.544 1.00 14.98 C ATOM 2081 HG1 THR H1105 25.691 -5.944 7.522 1.00 0.00 H ATOM 2082 H THR H1105 24.387 -4.629 5.714 1.00 0.00 H ATOM 2083 N VAL H1106 27.036 -1.489 5.731 1.00 12.37 N ATOM 2084 CA VAL H1106 27.484 -0.529 4.734 1.00 12.98 C ATOM 2085 C VAL H1106 29.008 -0.446 4.808 1.00 13.76 C ATOM 2086 O VAL H1106 29.599 -0.002 5.791 1.00 15.18 O ATOM 2087 CB VAL H1106 26.916 0.893 4.950 1.00 12.76 C ATOM 2088 CG1 VAL H1106 27.393 1.808 3.828 1.00 13.07 C ATOM 2089 CG2 VAL H1106 25.408 0.847 5.041 1.00 13.15 C ATOM 2090 H VAL H1106 27.254 -1.310 6.732 1.00 0.00 H ATOM 2091 N LEU H1106A 29.677 -1.234 3.687 1.00 16.49 N ATOM 2092 CA LEU H1106A 31.089 -1.566 3.768 1.00 18.40 C ATOM 2093 C LEU H1106A 31.787 -0.586 2.860 1.00 18.38 C ATOM 2094 O LEU H1106A 31.382 -0.427 1.710 1.00 17.96 O ATOM 2095 CB LEU H1106A 31.270 -3.003 3.266 1.00 20.28 C ATOM 2096 CG LEU H1106A 32.226 -3.935 3.994 1.00 23.50 C ATOM 2097 CD1 LEU H1106A 32.016 -3.893 5.502 1.00 24.23 C ATOM 2098 CD2 LEU H1106A 32.002 -5.350 3.477 1.00 22.64 C ATOM 2099 H LEU H1106A 29.120 -1.535 2.862 1.00 0.00 H ATOM 2100 N GLY H1107 32.817 0.076 3.364 1.00 19.31 N ATOM 2101 CA GLY H1107 33.732 0.837 2.509 1.00 20.43 C ATOM 2102 C GLY H1107 33.666 2.335 2.725 1.00 21.16 C ATOM 2103 O GLY H1107 33.020 2.787 3.680 1.00 22.76 O ATOM 2104 H GLY H1107 32.980 0.055 4.391 1.00 0.00 H TER 2105 GLY H1107 HETATM 2106 O HOH 1 5.920 -16.499 3.993 1.00 25.25 O HETATM 2107 O HOH 2 13.259 -15.895 7.043 1.00 29.42 O HETATM 2108 O HOH 3 15.038 -10.456 -3.422 1.00 32.65 O HETATM 2109 O HOH 4 14.617 -6.513 -3.738 1.00 23.47 O HETATM 2110 O HOH 5 25.375 -9.220 9.307 1.00 25.92 O HETATM 2111 O HOH 6 26.642 -3.523 -3.144 1.00 20.17 O HETATM 2112 O HOH 7 30.221 -1.660 -5.534 1.00 42.43 O HETATM 2113 O HOH 8 23.602 4.795 -8.965 1.00 27.93 O HETATM 2114 O HOH 9 -5.399 -12.639 3.974 1.00 19.71 O HETATM 2115 O HOH 10 -0.315 -3.534 -4.609 1.00 25.45 O HETATM 2116 O HOH 11 18.809 8.717 9.135 1.00 22.17 O HETATM 2117 O HOH 12 15.432 1.960 -6.926 1.00 26.57 O HETATM 2118 O HOH 13 13.260 -12.771 15.637 1.00 38.92 O HETATM 2119 O HOH 14 9.863 17.740 23.441 1.00 27.74 O HETATM 2120 O HOH 15 11.748 14.543 16.970 1.00 28.07 O HETATM 2121 O HOH 16 8.196 13.952 27.100 1.00 20.83 O HETATM 2122 O HOH 17 11.802 10.087 22.588 1.00 26.66 O HETATM 2123 O HOH 18 7.359 8.450 32.188 1.00 21.36 O HETATM 2124 O HOH 19 -4.720 0.888 34.157 1.00 24.41 O HETATM 2125 O HOH 20 6.928 5.406 36.461 1.00 25.48 O HETATM 2126 O HOH 21 11.828 3.899 35.550 1.00 32.16 O HETATM 2127 O HOH 22 6.394 0.090 37.803 1.00 41.68 O HETATM 2128 O HOH 23 14.491 -4.944 34.423 1.00 34.88 O HETATM 2129 O HOH 24 7.901 -8.844 42.274 1.00 27.62 O HETATM 2130 O HOH 25 6.347 -16.412 41.315 1.00 28.87 O HETATM 2131 O HOH 26 17.618 -8.058 15.515 1.00 24.84 O HETATM 2132 O HOH 27 19.872 -5.774 18.879 1.00 41.99 O HETATM 2133 O HOH 28 2.922 -16.352 35.724 1.00 34.60 O HETATM 2134 O HOH 29 -0.742 -9.978 38.884 1.00 20.78 O HETATM 2135 O HOH 30 -0.854 -13.527 39.704 1.00 25.40 O HETATM 2136 O HOH 31 4.218 -7.440 41.741 1.00 18.51 O HETATM 2137 O HOH 32 10.730 -11.954 14.565 1.00 30.18 O HETATM 2138 O HOH 33 4.776 3.934 35.839 1.00 18.29 O HETATM 2139 O HOH 34 -3.240 0.941 36.351 1.00 20.05 O HETATM 2140 O HOH 35 -4.203 5.120 33.643 1.00 29.14 O HETATM 2141 O HOH 36 -0.728 6.381 36.731 1.00 40.76 O HETATM 2142 O HOH 37 -12.835 14.289 20.946 1.00 25.67 O HETATM 2143 O HOH 38 3.170 7.659 35.973 1.00 23.56 O HETATM 2144 O HOH 39 -9.717 -3.766 28.725 1.00 37.31 O HETATM 2145 O HOH 40 4.484 18.119 15.998 1.00 30.81 O HETATM 2146 O HOH 41 2.808 20.179 20.778 1.00 27.28 O HETATM 2147 O HOH 42 0.681 17.387 16.195 1.00 24.72 O HETATM 2148 O HOH 43 0.018 20.235 20.670 1.00 19.87 O HETATM 2149 O HOH 44 -1.932 17.238 35.341 1.00 29.16 O HETATM 2150 O HOH 45 -2.522 16.720 23.039 1.00 21.05 O HETATM 2151 O HOH 46 -2.196 15.521 25.082 1.00 22.46 O HETATM 2152 O HOH 47 -7.497 11.127 22.232 1.00 14.57 O HETATM 2153 O HOH 48 -5.677 9.870 14.668 1.00 12.93 O HETATM 2154 O HOH 49 -5.820 19.378 16.883 1.00 40.08 O HETATM 2155 O HOH 50 -2.354 16.890 15.003 1.00 25.25 O HETATM 2156 O HOH 51 -0.493 6.963 15.958 1.00 6.43 O HETATM 2157 O HOH 52 -9.204 7.382 15.064 1.00 16.82 O HETATM 2158 O HOH 53 -1.953 0.839 15.951 1.00 8.49 O HETATM 2159 O HOH 54 0.175 4.287 15.405 1.00 9.01 O HETATM 2160 O HOH 55 3.468 -12.858 26.467 1.00 23.00 O HETATM 2161 O HOH 56 15.684 -8.431 19.446 1.00 27.71 O HETATM 2162 O HOH 57 17.630 -5.887 17.482 1.00 16.78 O HETATM 2163 O HOH 58 9.363 -9.827 22.356 1.00 27.61 O HETATM 2164 O HOH 59 16.697 -7.337 22.574 1.00 34.34 O HETATM 2165 O HOH 60 4.759 -13.884 21.987 1.00 37.56 O HETATM 2166 O HOH 61 10.818 -9.141 15.257 1.00 16.97 O HETATM 2167 O HOH 62 2.089 -9.089 18.409 1.00 19.58 O HETATM 2168 O HOH 63 -8.192 -0.149 19.586 1.00 20.44 O HETATM 2169 O HOH 64 -9.513 0.348 12.075 1.00 21.35 O HETATM 2170 O HOH 65 -11.447 3.683 14.919 1.00 25.02 O HETATM 2171 O HOH 66 -9.261 -2.163 13.140 1.00 19.76 O HETATM 2172 O HOH 67 -10.736 12.621 19.924 1.00 17.68 O HETATM 2173 O HOH 68 -12.146 0.105 17.487 1.00 26.84 O HETATM 2174 O HOH 69 -15.050 12.872 21.571 1.00 33.80 O HETATM 2175 O HOH 70 -14.974 5.281 16.673 1.00 35.18 O HETATM 2176 O HOH 71 -9.610 2.554 26.887 1.00 23.81 O HETATM 2177 O HOH 72 -7.596 11.015 28.254 1.00 16.06 O HETATM 2178 O HOH 73 -11.947 -0.993 23.529 1.00 26.39 O HETATM 2179 O HOH 74 -10.363 -3.958 24.063 1.00 22.13 O HETATM 2180 O HOH 75 -8.524 -1.940 27.391 1.00 14.00 O HETATM 2181 O HOH 76 -7.962 -6.998 21.737 1.00 20.39 O HETATM 2182 O HOH 77 -10.901 -9.016 18.188 1.00 38.58 O HETATM 2183 O HOH 78 -1.888 -11.364 18.338 1.00 25.36 O HETATM 2184 O HOH 79 0.150 -12.592 20.286 1.00 18.54 O HETATM 2185 O HOH 80 -1.064 -16.337 22.968 1.00 25.18 O HETATM 2186 O HOH 81 -2.503 -13.538 27.948 1.00 28.53 O HETATM 2187 O HOH 82 -6.267 -7.125 27.710 1.00 25.08 O HETATM 2188 O HOH 83 -3.194 1.202 31.976 1.00 12.45 O HETATM 2189 O HOH 84 -5.283 -4.032 34.003 1.00 31.35 O HETATM 2190 O HOH 85 -8.284 0.665 28.373 1.00 15.87 O HETATM 2191 O HOH 86 -7.494 13.739 29.694 1.00 18.87 O HETATM 2192 O HOH 87 -3.228 9.765 34.724 1.00 24.83 O HETATM 2193 O HOH 88 -8.726 14.334 24.725 1.00 30.44 O HETATM 2194 O HOH 89 -4.467 16.361 34.510 1.00 19.39 O HETATM 2195 O HOH 90 2.687 16.168 30.191 1.00 29.28 O HETATM 2196 O HOH 91 -3.288 12.353 38.773 1.00 27.61 O HETATM 2197 O HOH 92 1.383 10.087 35.012 1.00 23.47 O HETATM 2198 O HOH 93 -0.419 -14.751 36.916 1.00 26.49 O HETATM 2199 O HOH 94 -3.157 -12.201 39.991 1.00 15.73 O HETATM 2200 O HOH 95 -4.488 -14.577 33.563 1.00 27.30 O HETATM 2201 O HOH 96 6.717 -17.456 33.973 1.00 26.00 O HETATM 2202 O HOH 97 6.384 -17.646 29.736 1.00 24.23 O HETATM 2203 O HOH 98 11.035 -12.668 26.826 1.00 26.33 O HETATM 2204 O HOH 99 3.183 -16.893 23.691 1.00 36.74 O HETATM 2205 O HOH 100 4.083 -18.638 28.037 1.00 29.19 O HETATM 2206 O HOH 101 -0.826 8.615 12.469 1.00 16.09 O HETATM 2207 O HOH 102 1.889 7.613 7.193 1.00 23.91 O HETATM 2208 O HOH 103 6.811 7.032 10.140 1.00 33.28 O HETATM 2209 O HOH 104 5.567 8.601 8.249 1.00 25.12 O HETATM 2210 O HOH 105 -1.121 5.956 6.386 1.00 18.24 O HETATM 2211 O HOH 106 -0.244 6.549 6.577 1.00 26.41 O HETATM 2212 O HOH 107 6.699 4.931 10.959 1.00 18.78 O HETATM 2213 O HOH 108 10.773 9.602 12.706 1.00 22.29 O HETATM 2214 O HOH 109 9.386 15.668 14.735 1.00 34.14 O HETATM 2215 O HOH 110 11.598 8.708 18.036 1.00 30.07 O HETATM 2216 O HOH 111 14.186 7.058 20.550 1.00 29.66 O HETATM 2217 O HOH 112 14.376 4.119 20.961 1.00 13.50 O HETATM 2218 O HOH 113 17.039 3.578 23.748 1.00 25.45 O HETATM 2219 O HOH 114 17.370 4.394 27.699 1.00 31.00 O HETATM 2220 O HOH 115 13.070 3.337 32.473 1.00 32.84 O HETATM 2221 O HOH 116 14.746 0.160 32.318 1.00 26.30 O HETATM 2222 O HOH 117 15.767 -8.106 31.061 1.00 29.06 O HETATM 2223 O HOH 118 1.794 -13.305 14.346 1.00 19.17 O HETATM 2224 O HOH 119 5.635 -13.494 13.544 1.00 20.14 O HETATM 2225 O HOH 120 6.530 -14.333 5.552 1.00 15.17 O HETATM 2226 O HOH 121 7.155 -11.944 11.884 1.00 15.42 O HETATM 2227 O HOH 122 12.244 -11.714 9.039 1.00 13.88 O HETATM 2228 O HOH 123 9.655 -13.248 12.069 1.00 26.66 O HETATM 2229 O HOH 124 11.532 -10.297 2.266 1.00 16.29 O HETATM 2230 O HOH 125 10.872 -15.400 8.140 1.00 24.56 O HETATM 2231 O HOH 126 9.346 -17.933 6.212 1.00 37.83 O HETATM 2232 O HOH 127 14.509 -14.203 5.672 1.00 19.50 O HETATM 2233 O HOH 128 15.086 -11.389 9.431 1.00 17.54 O HETATM 2234 O HOH 129 13.845 -5.930 4.935 1.00 8.50 O HETATM 2235 O HOH 130 13.926 -10.638 -0.877 1.00 21.31 O HETATM 2236 O HOH 131 16.042 -7.064 -1.393 1.00 24.68 O HETATM 2237 O HOH 132 18.651 -10.187 11.006 1.00 21.73 O HETATM 2238 O HOH 133 24.701 -7.377 7.184 1.00 19.49 O HETATM 2239 O HOH 134 26.494 -6.017 -2.230 1.00 11.19 O HETATM 2240 O HOH 135 29.210 -8.069 4.703 1.00 18.74 O HETATM 2241 O HOH 136 23.808 -2.479 -2.731 1.00 14.57 O HETATM 2242 O HOH 137 29.179 -2.678 -3.035 1.00 19.07 O HETATM 2243 O HOH 138 28.641 3.741 -4.895 1.00 12.56 O HETATM 2244 O HOH 139 31.507 3.147 -2.240 1.00 22.52 O HETATM 2245 O HOH 140 23.324 4.091 -6.496 1.00 13.71 O HETATM 2246 O HOH 141 23.523 0.485 -6.672 1.00 15.31 O HETATM 2247 O HOH 142 22.858 -2.211 -5.145 1.00 29.46 O HETATM 2248 O HOH 143 19.562 4.279 -8.077 1.00 29.09 O HETATM 2249 O HOH 144 18.212 -1.867 -5.331 1.00 25.79 O HETATM 2250 O HOH 145 2.688 -13.409 -2.070 1.00 18.23 O HETATM 2251 O HOH 146 4.048 -14.190 0.400 1.00 17.05 O HETATM 2252 O HOH 147 4.146 -10.867 0.522 1.00 9.85 O HETATM 2253 O HOH 148 -0.484 -9.556 3.403 1.00 17.03 O HETATM 2254 O HOH 149 0.169 -16.851 8.033 1.00 20.02 O HETATM 2255 O HOH 150 -4.369 -15.275 3.356 1.00 19.48 O HETATM 2256 O HOH 151 -3.026 -7.035 1.558 1.00 25.67 O HETATM 2257 O HOH 152 1.754 -5.268 -3.901 1.00 19.41 O HETATM 2258 O HOH 153 1.862 -1.612 2.666 1.00 10.20 O HETATM 2259 O HOH 154 -5.108 -2.558 -0.608 1.00 23.88 O HETATM 2260 O HOH 155 -1.850 -2.447 -2.831 1.00 28.52 O HETATM 2261 O HOH 156 -0.733 2.039 2.854 1.00 9.98 O HETATM 2262 O HOH 157 -4.992 1.465 -1.624 1.00 35.90 O HETATM 2263 O HOH 158 -5.232 -5.018 6.934 1.00 16.62 O HETATM 2264 O HOH 159 -3.255 -8.743 4.293 1.00 18.78 O HETATM 2265 O HOH 160 6.956 0.060 1.984 1.00 7.64 O HETATM 2266 O HOH 161 17.628 4.916 14.804 1.00 13.42 O HETATM 2267 O HOH 162 20.700 6.588 9.206 1.00 12.24 O HETATM 2268 O HOH 163 21.510 -1.480 15.620 1.00 23.04 O HETATM 2269 O HOH 164 24.447 5.623 12.737 1.00 37.14 O HETATM 2270 O HOH 165 -1.124 4.959 3.805 1.00 16.02 O HETATM 2271 O HOH 166 8.678 7.139 0.216 1.00 13.27 O HETATM 2272 O HOH 167 6.353 11.045 1.796 1.00 30.63 O HETATM 2273 O HOH 168 -0.101 10.706 5.047 1.00 20.76 O HETATM 2274 O HOH 169 9.941 13.508 5.966 1.00 23.24 O HETATM 2275 O HOH 170 17.184 14.654 7.519 1.00 36.35 O HETATM 2276 O HOH 171 14.867 8.738 -2.559 1.00 13.75 O HETATM 2277 O HOH 172 15.048 6.025 -2.112 1.00 9.55 O HETATM 2278 O HOH 173 21.048 12.752 6.371 1.00 23.08 O HETATM 2279 O HOH 174 22.484 10.710 8.109 1.00 22.96 O HETATM 2280 O HOH 175 11.042 1.353 -2.136 1.00 13.67 O HETATM 2281 O HOH 176 10.974 3.730 -3.313 1.00 22.40 O HETATM 2282 O HOH 177 7.779 5.819 -2.948 1.00 20.52 O HETATM 2283 O HOH 178 9.466 1.004 -6.138 1.00 24.37 O HETATM 2284 O HOH 179 4.276 0.932 -5.460 1.00 28.30 O HETATM 2285 O HOH 180 7.277 -0.361 -7.496 1.00 28.51 O HETATM 2286 O HOH 181 9.231 -8.407 -5.231 1.00 30.60 O HETATM 2287 O HOH 182 6.273 -4.058 -8.937 1.00 21.37 O HETATM 2288 O HOH 183 13.134 -8.815 -3.990 1.00 20.84 O HETATM 2289 O HOH 184 16.168 4.766 -6.460 1.00 17.92 O HETATM 2290 O HOH 185 22.372 9.661 -0.096 1.00 9.74 O HETATM 2291 O HOH 186 22.790 13.051 1.760 1.00 13.91 O HETATM 2292 O HOH 187 24.736 13.463 4.871 1.00 27.84 O HETATM 2293 O HOH 188 28.628 7.803 3.827 1.00 14.02 O HETATM 2294 O HOH 189 28.956 1.489 8.434 1.00 19.41 O HETATM 2295 O HOH 190 30.897 2.518 5.225 1.00 19.94 O HETATM 2296 O HOH 191 25.739 3.183 11.699 1.00 25.95 O HETATM 2297 O HOH 192 26.066 12.356 7.235 1.00 25.88 O HETATM 2298 O HOH 193 24.269 0.196 13.757 1.00 26.40 O HETATM 2299 O HOH 194 24.091 -3.869 11.168 1.00 28.54 O HETATM 2300 O HOH 195 -8.146 -2.147 9.312 1.00 19.46 O HETATM 2301 O HOH 196 14.027 -10.147 15.349 1.00 34.95 O HETATM 2302 O HOH 197 17.344 -8.635 12.981 1.00 22.66 O HETATM 2303 O HOH 198 5.708 -11.854 15.853 1.00 21.54 O HETATM 2304 O HOH 199 -9.594 0.626 5.995 1.00 33.44 O HETATM 2305 O HOH 200 -10.118 2.591 9.870 1.00 22.33 O HETATM 2306 O HOH 201 -8.199 4.525 10.798 1.00 20.11 O HETATM 2307 O HOH 202 -1.713 2.894 14.004 1.00 7.79 O HETATM 2308 O HOH 203 -6.784 7.734 12.026 1.00 22.11 O HETATM 2309 O HOH 204 -1.224 9.005 6.335 1.00 20.28 O HETATM 2310 O HOH 205 -7.077 9.735 9.797 1.00 30.50 O HETATM 2311 O HOH 206 -7.465 11.245 13.555 1.00 27.40 O HETATM 2312 O HOH 207 -3.168 16.108 11.384 1.00 31.96 O HETATM 2313 N ALA A 208 -8.339 0.527 8.626 1.00 0.24 N HETATM 2314 CA ALA A 208 -6.989 1.082 8.603 1.00 0.06 C HETATM 2315 C ALA A 208 -6.514 1.392 10.009 1.00 0.23 C HETATM 2316 O ALA A 208 -7.311 1.492 10.885 1.00 -0.39 O HETATM 2317 N ALA A 208 -5.211 1.516 10.159 1.00 -0.25 N HETATM 2318 CA ALA A 208 -4.636 1.968 11.419 1.00 0.13 C HETATM 2319 C ALA A 208 -4.705 3.496 11.503 1.00 0.20 C HETATM 2320 O ALA A 208 -5.573 4.084 10.839 1.00 -0.39 O HETATM 2321 N ALA A 208 -3.865 4.139 12.312 1.00 -0.26 N HETATM 2322 CA ALA A 208 -3.921 5.586 12.463 1.00 0.14 C HETATM 2323 C ALA A 208 -3.298 6.249 11.231 1.00 0.21 C HETATM 2324 O ALA A 208 -2.077 6.318 11.111 1.00 -0.39 O HETATM 2325 N ALA A 208 -4.153 6.754 10.340 1.00 -0.26 N HETATM 2326 CA ALA A 208 -3.691 7.395 9.109 1.00 0.16 C HETATM 2327 C ALA A 208 -3.570 8.914 9.238 1.00 0.21 C HETATM 2328 O ALA A 208 -3.311 9.619 8.239 1.00 -0.39 O HETATM 2329 N ALA A 208 -3.709 9.457 10.440 1.00 -0.26 N HETATM 2330 CA ALA A 208 -3.573 10.907 10.572 1.00 0.13 C HETATM 2331 C ALA A 208 -2.131 11.302 10.238 1.00 0.21 C HETATM 2332 O ALA A 208 -1.187 10.716 10.767 1.00 -0.39 O HETATM 2333 N ALA A 208 -1.951 12.290 9.337 1.00 -0.26 N HETATM 2334 CA ALA A 208 -0.588 12.677 8.996 1.00 0.10 C HETATM 2335 C ALA A 208 0.233 13.060 10.245 1.00 0.06 C HETATM 2336 O ALA A 208 -0.285 13.781 11.086 1.00 -0.57 O HETATM 2337 OXT ALA A 208 1.373 12.629 10.350 1.00 -0.57 O HETATM 2338 CB ALA A 208 -0.791 13.894 8.088 1.00 -0.02 C HETATM 2339 CG ALA A 208 -2.136 13.686 7.462 1.00 -0.03 C HETATM 2340 CD ALA A 208 -2.965 12.980 8.513 1.00 0.04 C HETATM 2341 H44 ALA A 208 -3.537 13.702 9.114 1.00 0.05 H HETATM 2342 H45 ALA A 208 -3.655 12.259 8.052 1.00 0.05 H HETATM 2343 H42 ALA A 208 -2.048 13.063 6.559 1.00 0.03 H HETATM 2344 H43 ALA A 208 -2.591 14.652 7.198 1.00 0.03 H HETATM 2345 H40 ALA A 208 -0.008 13.937 7.317 1.00 0.03 H HETATM 2346 H41 ALA A 208 -0.777 14.823 8.677 1.00 0.03 H HETATM 2347 H39 ALA A 208 -0.075 11.865 8.459 1.00 0.07 H HETATM 2348 CB ALA A 208 -3.916 11.367 11.970 1.00 -0.01 C HETATM 2349 CG ALA A 208 -3.689 12.868 12.132 1.00 -0.02 C HETATM 2350 CD ALA A 208 -3.914 13.293 13.552 1.00 0.06 C HETATM 2351 NE ALA A 208 -5.328 13.437 13.756 1.00 -0.27 N HETATM 2352 CZ ALA A 208 -6.031 14.541 13.487 1.00 0.29 C HETATM 2353 NH1 ALA A 208 -5.447 15.633 12.992 1.00 -0.28 N HETATM 2354 H35 ALA A 208 -6.010 16.472 12.793 1.00 0.26 H HETATM 2355 H36 ALA A 208 -4.433 15.637 12.809 1.00 0.26 H HETATM 2356 NH2 ALA A 208 -7.338 14.545 13.715 1.00 -0.28 N HETATM 2357 H37 ALA A 208 -7.797 13.706 14.097 1.00 0.26 H HETATM 2358 H38 ALA A 208 -7.894 15.387 13.510 1.00 0.26 H HETATM 2359 H34 ALA A 208 -5.839 12.629 14.139 1.00 0.26 H HETATM 2360 H32 ALA A 208 -3.411 14.253 13.738 1.00 0.07 H HETATM 2361 H33 ALA A 208 -3.514 12.531 14.237 1.00 0.07 H HETATM 2362 H30 ALA A 208 -4.388 13.411 11.479 1.00 0.03 H HETATM 2363 H31 ALA A 208 -2.655 13.109 11.844 1.00 0.03 H HETATM 2364 H28 ALA A 208 -3.282 10.829 12.690 1.00 0.03 H HETATM 2365 H29 ALA A 208 -4.973 11.141 12.172 1.00 0.03 H HETATM 2366 H27 ALA A 208 -4.256 11.395 9.862 1.00 0.08 H HETATM 2367 H26 ALA A 208 -3.903 8.887 11.239 1.00 0.19 H HETATM 2368 CB ALA A 208 -4.645 7.049 7.933 1.00 0.09 C HETATM 2369 OG1 ALA A 208 -5.960 7.497 8.267 1.00 -0.39 O HETATM 2370 H22 ALA A 208 -5.947 8.436 8.408 1.00 0.21 H HETATM 2371 CG2 ALA A 208 -4.668 5.554 7.693 1.00 -0.03 C HETATM 2372 H23 ALA A 208 -5.348 5.327 6.858 1.00 0.03 H HETATM 2373 H24 ALA A 208 -5.019 5.042 8.601 1.00 0.03 H HETATM 2374 H25 ALA A 208 -3.654 5.207 7.445 1.00 0.03 H HETATM 2375 H21 ALA A 208 -4.301 7.558 7.021 1.00 0.06 H HETATM 2376 H20 ALA A 208 -2.693 6.995 8.877 1.00 0.08 H HETATM 2377 H19 ALA A 208 -5.135 6.693 10.518 1.00 0.19 H HETATM 2378 CB ALA A 208 -3.187 6.056 13.709 1.00 0.04 C HETATM 2379 CG ALA A 208 -3.446 7.500 14.040 1.00 0.04 C HETATM 2380 OD1 ALA A 208 -4.203 8.194 13.306 1.00 -0.57 O HETATM 2381 OD2 ALA A 208 -2.877 7.964 15.049 1.00 -0.57 O HETATM 2382 H17 ALA A 208 -2.107 5.922 13.550 1.00 0.05 H HETATM 2383 H18 ALA A 208 -3.512 5.439 14.560 1.00 0.05 H HETATM 2384 H16 ALA A 208 -4.975 5.890 12.541 1.00 0.08 H HETATM 2385 H15 ALA A 208 -3.183 3.618 12.825 1.00 0.19 H HETATM 2386 CB ALA A 208 -3.214 1.441 11.344 1.00 -0.01 C HETATM 2387 CG ALA A 208 -2.883 1.542 9.891 1.00 -0.03 C HETATM 2388 CD ALA A 208 -4.161 1.250 9.155 1.00 0.04 C HETATM 2389 H13 ALA A 208 -4.273 1.913 8.285 1.00 0.05 H HETATM 2390 H14 ALA A 208 -4.192 0.202 8.823 1.00 0.05 H HETATM 2391 H11 ALA A 208 -2.111 0.806 9.623 1.00 0.03 H HETATM 2392 H12 ALA A 208 -2.525 2.554 9.650 1.00 0.03 H HETATM 2393 H9 ALA A 208 -3.163 0.397 11.688 1.00 0.03 H HETATM 2394 H10 ALA A 208 -2.533 2.060 11.947 1.00 0.03 H HETATM 2395 H8 ALA A 208 -5.166 1.533 12.279 1.00 0.08 H HETATM 2396 CB ALA A 208 -6.999 2.369 7.798 1.00 -0.00 C HETATM 2397 H5 ALA A 208 -5.985 2.795 7.775 1.00 0.03 H HETATM 2398 H6 ALA A 208 -7.688 3.088 8.265 1.00 0.03 H HETATM 2399 H7 ALA A 208 -7.331 2.157 6.771 1.00 0.03 H HETATM 2400 H4 ALA A 208 -6.305 0.357 8.137 1.00 0.11 H HETATM 2401 H1 ALA A 208 -8.636 0.328 7.684 1.00 0.20 H HETATM 2402 H2 ALA A 208 -8.969 1.194 9.043 1.00 0.20 H HETATM 2403 H3 ALA A 208 -8.343 -0.324 9.167 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 1298 1297 1915 CONECT 1915 1298 1914 CONECT 2313 2314 2401 2402 2403 CONECT 2314 2313 2315 2396 2400 CONECT 2315 2314 2316 2317 CONECT 2316 2315 CONECT 2317 2315 2318 2388 CONECT 2318 2317 2319 2386 2395 CONECT 2319 2318 2320 2321 CONECT 2320 2319 CONECT 2321 2319 2322 2385 CONECT 2322 2321 2323 2378 2384 CONECT 2323 2322 2324 2325 CONECT 2324 2323 CONECT 2325 2323 2326 2377 CONECT 2326 2325 2327 2368 2376 CONECT 2327 2326 2328 2329 CONECT 2328 2327 CONECT 2329 2327 2330 2367 CONECT 2330 2329 2331 2348 2366 CONECT 2331 2330 2332 2333 CONECT 2332 2331 CONECT 2333 2331 2334 2340 CONECT 2334 2333 2335 2338 2347 CONECT 2335 2334 2336 2337 CONECT 2336 2335 CONECT 2337 2335 CONECT 2338 2334 2339 2345 2346 CONECT 2339 2338 2340 2343 2344 CONECT 2340 2333 2339 2341 2342 CONECT 2341 2340 CONECT 2342 2340 CONECT 2343 2339 CONECT 2344 2339 CONECT 2345 2338 CONECT 2346 2338 CONECT 2347 2334 CONECT 2348 2330 2349 2364 2365 CONECT 2349 2348 2350 2362 2363 CONECT 2350 2349 2351 2360 2361 CONECT 2351 2350 2352 2359 CONECT 2352 2351 2353 2356 CONECT 2353 2352 2354 2355 CONECT 2354 2353 CONECT 2355 2353 CONECT 2356 2352 2357 2358 CONECT 2357 2356 CONECT 2358 2356 CONECT 2359 2351 CONECT 2360 2350 CONECT 2361 2350 CONECT 2362 2349 CONECT 2363 2349 CONECT 2364 2348 CONECT 2365 2348 CONECT 2366 2330 CONECT 2367 2329 CONECT 2368 2326 2369 2371 2375 CONECT 2369 2368 2370 CONECT 2370 2369 CONECT 2371 2368 2372 2373 2374 CONECT 2372 2371 CONECT 2373 2371 CONECT 2374 2371 CONECT 2375 2368 CONECT 2376 2326 CONECT 2377 2325 CONECT 2378 2322 2379 2382 2383 CONECT 2379 2378 2380 2381 CONECT 2380 2379 CONECT 2381 2379 CONECT 2382 2378 CONECT 2383 2378 CONECT 2384 2322 CONECT 2385 2321 CONECT 2386 2318 2387 2393 2394 CONECT 2387 2386 2388 2391 2392 CONECT 2388 2317 2387 2389 2390 CONECT 2389 2388 CONECT 2390 2388 CONECT 2391 2387 CONECT 2392 2387 CONECT 2393 2386 CONECT 2394 2386 CONECT 2395 2318 CONECT 2396 2314 2397 2398 2399 CONECT 2397 2396 CONECT 2398 2396 CONECT 2399 2396 CONECT 2400 2314 CONECT 2401 2313 CONECT 2402 2313 CONECT 2403 2313 MASTER 0 0 0 0 0 0 0 0 2401 2 103 18 END
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Entry Information
PDB ID
5a2j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
scFv-SM3
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Kd=1.4uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 9830-9834
Ligand Properties
Formula
C
2
7
H
4
7
N
9
O
1
0
Molecular Weight
657.716
Exact Mass
657.345
No. of atoms
93
No. of bonds
94
Polar Surface Area
316.4
LOGP Value
-1.91 (
Computed with XLOGP3
)
-4.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 20
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 2
Canonical SMILES
OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCC[NH+]=C(N)N)[C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C
InChI String
InChI=1S/C27H45N9O10/c1-13(28)24(43)35-10-4-7-17(35)22(41)33-16(12-19(38)39)21(40)34-20(14(2)37)23(42)32-15(6-3-9-31-27(29)30)25(44)36-11-5-8-18(36)26(45)46/h13-18,20,37H,3-12,28H2,1-2H3,(H,32,42)(H,33,41)(H,34,40)(H,38,39)(H,45,46)(H4,29,30,31)/p+2/t13-,14+,15-,16-,17-,18-,20-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01727
P01801
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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