Browse entries in the PDBbind-CN Database
HEADER 3D9L_COMPLEX COMPND 3D9L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 GLU ALA VAL LYS THR PHE ASN SER GLU LEU TYR SER LEU SEQRES 2 A 140 ASN ASP TYR LYS PRO PRO ILE SER LYS ALA LYS MET THR SEQRES 3 A 140 GLN ILE THR LYS ALA ALA ILE LYS ALA ILE LYS PHE TYR SEQRES 4 A 140 LYS HIS VAL VAL GLN SER VAL GLU LYS PHE ILE GLN LYS SEQRES 5 A 140 CYS LYS PRO GLU TYR LYS VAL PRO GLY LEU TYR VAL ILE SEQRES 6 A 140 ASP SER ILE VAL ARG GLN SER ARG HIS GLN PHE GLY GLN SEQRES 7 A 140 GLU LYS ASP VAL PHE ALA PRO ARG PHE SER ASN ASN ILE SEQRES 8 A 140 ILE SER THR PHE GLN ASN LEU TYR ARG CYS PRO GLY ASP SEQRES 9 A 140 ASP LYS SER LYS ILE VAL ARG VAL LEU ASN LEU TRP GLN SEQRES 10 A 140 LYS ASN ASN VAL PHE LYS SER GLU ILE ILE GLN PRO LEU SEQRES 11 A 140 LEU ASP MET ALA ALA ALA LEU GLU HIS HIS HET TYR A 168 151 ATOM 1 N GLU A 2 55.533 7.149 0.068 1.00 51.22 N ATOM 2 CA GLU A 2 54.486 7.079 -1.000 1.00 51.21 C ATOM 3 C GLU A 2 53.312 6.184 -0.592 1.00 50.45 C ATOM 4 O GLU A 2 52.154 6.511 -0.858 1.00 50.52 O ATOM 5 CB GLU A 2 55.090 6.633 -2.338 1.00 51.26 C ATOM 6 CG GLU A 2 54.063 6.381 -3.438 1.00 53.04 C ATOM 7 CD GLU A 2 53.363 7.650 -3.918 1.00 55.62 C ATOM 8 OE1 GLU A 2 54.060 8.644 -4.238 1.00 56.50 O ATOM 9 OE2 GLU A 2 52.113 7.645 -3.996 1.00 56.36 O ATOM 10 HA GLU A 2 54.089 8.086 -1.131 1.00 0.00 H ATOM 11 HB2 GLU A 2 55.773 7.410 -2.680 1.00 0.00 H ATOM 12 HB3 GLU A 2 55.645 5.710 -2.171 1.00 0.00 H ATOM 13 HG2 GLU A 2 54.571 5.924 -4.287 1.00 0.00 H ATOM 14 HG3 GLU A 2 53.308 5.694 -3.055 1.00 0.00 H ATOM 15 HN3 GLU A 2 55.900 6.194 0.255 1.00 0.00 H ATOM 16 HN2 GLU A 2 55.114 7.537 0.937 1.00 0.00 H ATOM 17 HN1 GLU A 2 56.309 7.765 -0.249 1.00 0.00 H ATOM 18 N ALA A 3 53.615 5.050 0.034 1.00 49.68 N ATOM 19 CA ALA A 3 52.603 4.295 0.753 1.00 48.93 C ATOM 20 C ALA A 3 52.159 5.160 1.924 1.00 48.35 C ATOM 21 O ALA A 3 50.981 5.171 2.286 1.00 48.46 O ATOM 22 CB ALA A 3 53.164 2.984 1.252 1.00 48.94 C ATOM 23 HA ALA A 3 51.764 4.057 0.099 1.00 0.00 H ATOM 24 HB1 ALA A 3 53.509 2.392 0.404 1.00 0.00 H ATOM 25 HB2 ALA A 3 54.000 3.180 1.924 1.00 0.00 H ATOM 26 HB3 ALA A 3 52.387 2.438 1.787 1.00 0.00 H ATOM 27 H ALA A 3 54.593 4.698 0.008 1.00 0.00 H ATOM 28 N VAL A 4 53.123 5.888 2.491 1.00 47.43 N ATOM 29 CA VAL A 4 52.911 6.747 3.650 1.00 46.99 C ATOM 30 C VAL A 4 52.186 8.023 3.241 1.00 46.67 C ATOM 31 O VAL A 4 51.290 8.485 3.950 1.00 46.27 O ATOM 32 CB VAL A 4 54.252 7.074 4.385 1.00 47.10 C ATOM 33 CG1 VAL A 4 54.048 8.118 5.489 1.00 46.32 C ATOM 34 CG2 VAL A 4 54.851 5.803 4.983 1.00 47.12 C ATOM 35 HA VAL A 4 52.284 6.203 4.356 1.00 0.00 H ATOM 36 HB VAL A 4 54.940 7.488 3.648 1.00 0.00 H ATOM 37 HG11 VAL A 4 53.661 9.038 5.050 1.00 0.00 H ATOM 38 HG12 VAL A 4 53.337 7.736 6.221 1.00 0.00 H ATOM 39 HG13 VAL A 4 55.001 8.320 5.977 1.00 0.00 H ATOM 40 HG21 VAL A 4 54.149 5.373 5.697 1.00 0.00 H ATOM 41 HG22 VAL A 4 55.047 5.085 4.186 1.00 0.00 H ATOM 42 HG23 VAL A 4 55.784 6.047 5.491 1.00 0.00 H ATOM 43 H VAL A 4 54.079 5.840 2.084 1.00 0.00 H ATOM 44 N LYS A 5 52.581 8.585 2.100 1.00 45.90 N ATOM 45 CA LYS A 5 51.902 9.736 1.524 1.00 45.73 C ATOM 46 C LYS A 5 50.424 9.428 1.337 1.00 44.93 C ATOM 47 O LYS A 5 49.577 10.215 1.740 1.00 45.06 O ATOM 48 CB LYS A 5 52.545 10.135 0.187 1.00 46.19 C ATOM 49 CG LYS A 5 51.897 11.329 -0.520 1.00 48.09 C ATOM 50 CD LYS A 5 52.283 12.664 0.123 1.00 50.09 C ATOM 51 CE LYS A 5 51.641 13.839 -0.605 1.00 50.33 C ATOM 52 NZ LYS A 5 52.404 14.272 -1.822 1.00 51.49 N ATOM 53 HA LYS A 5 52.001 10.578 2.209 1.00 0.00 H ATOM 54 HB2 LYS A 5 53.590 10.381 0.376 1.00 0.00 H ATOM 55 HB3 LYS A 5 52.491 9.277 -0.483 1.00 0.00 H ATOM 56 HG2 LYS A 5 52.217 11.336 -1.562 1.00 0.00 H ATOM 57 HG3 LYS A 5 50.814 11.218 -0.475 1.00 0.00 H ATOM 58 HD2 LYS A 5 51.952 12.666 1.162 1.00 0.00 H ATOM 59 HD3 LYS A 5 53.367 12.774 0.088 1.00 0.00 H ATOM 60 HE2 LYS A 5 51.581 14.682 0.084 1.00 0.00 H ATOM 61 HE3 LYS A 5 50.636 13.549 -0.911 1.00 0.00 H ATOM 62 HZ1 LYS A 5 53.363 14.562 -1.543 1.00 0.00 H ATOM 63 HZ2 LYS A 5 52.461 13.480 -2.494 1.00 0.00 H ATOM 64 HZ3 LYS A 5 51.915 15.073 -2.270 1.00 0.00 H ATOM 65 H LYS A 5 53.404 8.187 1.603 1.00 0.00 H ATOM 66 N THR A 6 50.121 8.271 0.755 1.00 43.91 N ATOM 67 CA THR A 6 48.737 7.871 0.532 1.00 43.16 C ATOM 68 C THR A 6 47.970 7.778 1.858 1.00 42.56 C ATOM 69 O THR A 6 46.889 8.363 1.992 1.00 42.62 O ATOM 70 CB THR A 6 48.638 6.548 -0.246 1.00 43.06 C ATOM 71 OG1 THR A 6 49.386 6.652 -1.463 1.00 43.81 O ATOM 72 CG2 THR A 6 47.190 6.238 -0.584 1.00 43.60 C ATOM 73 HA THR A 6 48.275 8.646 -0.080 1.00 0.00 H ATOM 74 HB THR A 6 49.040 5.748 0.376 1.00 0.00 H ATOM 75 HG1 THR A 6 50.334 6.840 -1.251 1.00 0.00 H ATOM 76 HG23 THR A 6 46.613 6.157 0.337 1.00 0.00 H ATOM 77 HG21 THR A 6 46.783 7.039 -1.200 1.00 0.00 H ATOM 78 HG22 THR A 6 47.139 5.296 -1.130 1.00 0.00 H ATOM 79 H THR A 6 50.888 7.638 0.452 1.00 0.00 H ATOM 80 N PHE A 7 48.541 7.068 2.833 1.00 41.03 N ATOM 81 CA PHE A 7 47.922 6.958 4.134 1.00 40.01 C ATOM 82 C PHE A 7 47.674 8.326 4.755 1.00 39.84 C ATOM 83 O PHE A 7 46.580 8.594 5.260 1.00 38.74 O ATOM 84 CB PHE A 7 48.740 6.097 5.109 1.00 39.52 C ATOM 85 CG PHE A 7 48.156 6.070 6.480 1.00 38.03 C ATOM 86 CD1 PHE A 7 47.046 5.288 6.750 1.00 37.32 C ATOM 87 CD2 PHE A 7 48.663 6.886 7.486 1.00 36.44 C ATOM 88 CE1 PHE A 7 46.471 5.285 8.006 1.00 35.83 C ATOM 89 CE2 PHE A 7 48.095 6.895 8.734 1.00 36.13 C ATOM 90 CZ PHE A 7 46.991 6.097 8.999 1.00 37.05 C ATOM 91 HA PHE A 7 46.966 6.462 3.964 1.00 0.00 H ATOM 92 HB2 PHE A 7 48.779 5.077 4.726 1.00 0.00 H ATOM 93 HB3 PHE A 7 49.751 6.501 5.168 1.00 0.00 H ATOM 94 HD2 PHE A 7 49.521 7.525 7.280 1.00 0.00 H ATOM 95 HE2 PHE A 7 48.510 7.529 9.518 1.00 0.00 H ATOM 96 HZ PHE A 7 46.534 6.110 9.988 1.00 0.00 H ATOM 97 HE1 PHE A 7 45.612 4.647 8.214 1.00 0.00 H ATOM 98 HD1 PHE A 7 46.620 4.667 5.962 1.00 0.00 H ATOM 99 H PHE A 7 49.445 6.587 2.654 1.00 0.00 H ATOM 100 N ASN A 8 48.711 9.166 4.743 1.00 39.64 N ATOM 101 CA ASN A 8 48.606 10.540 5.211 1.00 39.61 C ATOM 102 C ASN A 8 47.476 11.286 4.553 1.00 39.38 C ATOM 103 O ASN A 8 46.770 12.022 5.236 1.00 39.87 O ATOM 104 CB ASN A 8 49.913 11.309 4.994 1.00 39.47 C ATOM 105 CG ASN A 8 50.981 10.899 5.971 1.00 40.35 C ATOM 106 OD1 ASN A 8 50.715 10.134 6.911 1.00 41.50 O ATOM 107 ND2 ASN A 8 52.196 11.389 5.763 1.00 40.41 N ATOM 108 HA ASN A 8 48.399 10.477 6.279 1.00 0.00 H ATOM 109 HB2 ASN A 8 50.270 11.117 3.982 1.00 0.00 H ATOM 110 HB3 ASN A 8 49.718 12.375 5.113 1.00 0.00 H ATOM 111 HD22 ASN A 8 52.369 12.027 4.960 1.00 0.00 H ATOM 112 HD21 ASN A 8 52.976 11.135 6.403 1.00 0.00 H ATOM 113 H ASN A 8 49.627 8.826 4.386 1.00 0.00 H ATOM 114 N SER A 9 47.315 11.093 3.241 1.00 38.91 N ATOM 115 CA SER A 9 46.235 11.718 2.475 1.00 39.14 C ATOM 116 C SER A 9 44.846 11.204 2.874 1.00 39.46 C ATOM 117 O SER A 9 43.905 12.000 2.983 1.00 39.87 O ATOM 118 CB SER A 9 46.458 11.515 0.972 1.00 39.30 C ATOM 119 OG SER A 9 45.368 12.014 0.216 1.00 39.48 O ATOM 120 HA SER A 9 46.262 12.782 2.710 1.00 0.00 H ATOM 121 HB2 SER A 9 46.572 10.450 0.771 1.00 0.00 H ATOM 122 HB3 SER A 9 47.366 12.039 0.674 1.00 0.00 H ATOM 123 HG SER A 9 45.542 11.868 -0.748 1.00 0.00 H ATOM 124 H SER A 9 47.985 10.473 2.743 1.00 0.00 H ATOM 125 N GLU A 10 44.711 9.898 3.105 1.00 39.31 N ATOM 126 CA GLU A 10 43.428 9.352 3.572 1.00 40.07 C ATOM 127 C GLU A 10 43.125 9.830 4.988 1.00 39.51 C ATOM 128 O GLU A 10 42.000 10.223 5.284 1.00 39.27 O ATOM 129 CB GLU A 10 43.379 7.811 3.529 1.00 39.81 C ATOM 130 CG GLU A 10 43.261 7.194 2.139 1.00 43.32 C ATOM 131 CD GLU A 10 41.941 7.482 1.418 1.00 45.69 C ATOM 132 OE1 GLU A 10 40.914 7.831 2.057 1.00 46.41 O ATOM 133 OE2 GLU A 10 41.936 7.344 0.184 1.00 47.67 O ATOM 134 HA GLU A 10 42.669 9.723 2.883 1.00 0.00 H ATOM 135 HB2 GLU A 10 44.293 7.433 3.987 1.00 0.00 H ATOM 136 HB3 GLU A 10 42.519 7.486 4.115 1.00 0.00 H ATOM 137 HG2 GLU A 10 44.074 7.582 1.526 1.00 0.00 H ATOM 138 HG3 GLU A 10 43.365 6.113 2.237 1.00 0.00 H ATOM 139 H GLU A 10 45.519 9.261 2.954 1.00 0.00 H ATOM 140 N LEU A 11 44.139 9.806 5.850 1.00 39.20 N ATOM 141 CA LEU A 11 43.948 10.188 7.232 1.00 38.74 C ATOM 142 C LEU A 11 43.492 11.632 7.345 1.00 38.89 C ATOM 143 O LEU A 11 42.494 11.910 8.000 1.00 38.44 O ATOM 144 CB LEU A 11 45.210 9.947 8.061 1.00 38.76 C ATOM 145 CG LEU A 11 45.219 10.421 9.524 1.00 39.10 C ATOM 146 CD1 LEU A 11 44.145 9.711 10.360 1.00 37.83 C ATOM 147 CD2 LEU A 11 46.605 10.162 10.092 1.00 38.43 C ATOM 148 HA LEU A 11 43.160 9.554 7.638 1.00 0.00 H ATOM 149 HB2 LEU A 11 45.392 8.872 8.068 1.00 0.00 H ATOM 150 HB3 LEU A 11 46.032 10.451 7.553 1.00 0.00 H ATOM 151 HG LEU A 11 44.986 11.485 9.561 1.00 0.00 H ATOM 152 HD21 LEU A 11 46.824 9.096 10.039 1.00 0.00 H ATOM 153 HD22 LEU A 11 47.343 10.715 9.512 1.00 0.00 H ATOM 154 HD23 LEU A 11 46.638 10.490 11.131 1.00 0.00 H ATOM 155 HD11 LEU A 11 43.162 9.919 9.938 1.00 0.00 H ATOM 156 HD12 LEU A 11 44.327 8.636 10.347 1.00 0.00 H ATOM 157 HD13 LEU A 11 44.186 10.075 11.387 1.00 0.00 H ATOM 158 H LEU A 11 45.081 9.509 5.525 1.00 0.00 H ATOM 159 N TYR A 12 44.222 12.544 6.708 1.00 39.09 N ATOM 160 CA TYR A 12 43.943 13.959 6.842 1.00 39.89 C ATOM 161 C TYR A 12 42.705 14.433 6.070 1.00 39.29 C ATOM 162 O TYR A 12 42.199 15.519 6.342 1.00 39.38 O ATOM 163 CB TYR A 12 45.204 14.801 6.544 1.00 41.35 C ATOM 164 CG TYR A 12 46.203 14.758 7.706 1.00 43.26 C ATOM 165 CD1 TYR A 12 46.256 15.792 8.646 1.00 45.84 C ATOM 166 CD2 TYR A 12 47.068 13.663 7.884 1.00 45.16 C ATOM 167 CE1 TYR A 12 47.162 15.748 9.735 1.00 46.85 C ATOM 168 CE2 TYR A 12 47.970 13.608 8.960 1.00 44.88 C ATOM 169 CZ TYR A 12 48.010 14.659 9.881 1.00 45.75 C ATOM 170 OH TYR A 12 48.894 14.631 10.944 1.00 44.71 O ATOM 171 HA TYR A 12 43.676 14.122 7.886 1.00 0.00 H ATOM 172 HB3 TYR A 12 44.906 15.835 6.372 1.00 0.00 H ATOM 173 HB2 TYR A 12 45.687 14.410 5.648 1.00 0.00 H ATOM 174 HD2 TYR A 12 47.038 12.839 7.171 1.00 0.00 H ATOM 175 HE2 TYR A 12 48.634 12.752 9.076 1.00 0.00 H ATOM 176 HE1 TYR A 12 47.193 16.566 10.455 1.00 0.00 H ATOM 177 HD1 TYR A 12 45.589 16.647 8.539 1.00 0.00 H ATOM 178 HH TYR A 12 48.782 15.451 11.487 1.00 0.00 H ATOM 179 H TYR A 12 45.008 12.235 6.102 1.00 0.00 H ATOM 180 N SER A 13 42.205 13.617 5.138 1.00 38.46 N ATOM 181 CA SER A 13 40.943 13.925 4.465 1.00 37.77 C ATOM 182 C SER A 13 39.749 13.786 5.420 1.00 36.91 C ATOM 183 O SER A 13 38.654 14.179 5.077 1.00 36.18 O ATOM 184 CB SER A 13 40.739 13.082 3.195 1.00 37.92 C ATOM 185 OG SER A 13 40.390 11.745 3.519 1.00 39.53 O ATOM 186 HA SER A 13 41.002 14.967 4.151 1.00 0.00 H ATOM 187 HB2 SER A 13 41.663 13.079 2.617 1.00 0.00 H ATOM 188 HB3 SER A 13 39.941 13.524 2.599 1.00 0.00 H ATOM 189 HG SER A 13 41.114 11.337 4.057 1.00 0.00 H ATOM 190 H SER A 13 42.721 12.749 4.887 1.00 0.00 H ATOM 191 N LEU A 14 39.959 13.248 6.625 1.00 36.40 N ATOM 192 CA LEU A 14 38.907 13.301 7.651 1.00 35.74 C ATOM 193 C LEU A 14 38.366 14.713 7.859 1.00 35.71 C ATOM 194 O LEU A 14 37.177 14.895 8.130 1.00 35.17 O ATOM 195 CB LEU A 14 39.405 12.743 8.974 1.00 36.37 C ATOM 196 CG LEU A 14 39.637 11.232 9.053 1.00 35.06 C ATOM 197 CD1 LEU A 14 40.322 10.871 10.349 1.00 34.70 C ATOM 198 CD2 LEU A 14 38.352 10.474 8.918 1.00 37.00 C ATOM 199 HA LEU A 14 38.089 12.681 7.284 1.00 0.00 H ATOM 200 HB2 LEU A 14 40.352 13.233 9.201 1.00 0.00 H ATOM 201 HB3 LEU A 14 38.671 13.003 9.737 1.00 0.00 H ATOM 202 HG LEU A 14 40.282 10.951 8.221 1.00 0.00 H ATOM 203 HD21 LEU A 14 37.675 10.763 9.722 1.00 0.00 H ATOM 204 HD22 LEU A 14 37.895 10.705 7.956 1.00 0.00 H ATOM 205 HD23 LEU A 14 38.554 9.405 8.979 1.00 0.00 H ATOM 206 HD11 LEU A 14 41.283 11.382 10.405 1.00 0.00 H ATOM 207 HD12 LEU A 14 39.697 11.179 11.187 1.00 0.00 H ATOM 208 HD13 LEU A 14 40.479 9.793 10.388 1.00 0.00 H ATOM 209 H LEU A 14 40.869 12.791 6.838 1.00 0.00 H ATOM 210 N ASN A 15 39.245 15.709 7.706 1.00 35.59 N ATOM 211 CA ASN A 15 38.880 17.104 7.842 1.00 36.22 C ATOM 212 C ASN A 15 37.849 17.568 6.817 1.00 35.99 C ATOM 213 O ASN A 15 37.321 18.667 6.944 1.00 35.94 O ATOM 214 CB ASN A 15 40.137 17.996 7.803 1.00 36.75 C ATOM 215 CG ASN A 15 40.981 17.861 9.063 1.00 37.87 C ATOM 216 OD1 ASN A 15 40.602 18.353 10.116 1.00 40.88 O ATOM 217 ND2 ASN A 15 42.122 17.179 8.961 1.00 38.69 N ATOM 218 HA ASN A 15 38.398 17.203 8.815 1.00 0.00 H ATOM 219 HB2 ASN A 15 40.743 17.711 6.943 1.00 0.00 H ATOM 220 HB3 ASN A 15 39.826 19.036 7.699 1.00 0.00 H ATOM 221 HD22 ASN A 15 42.407 16.777 8.045 1.00 0.00 H ATOM 222 HD21 ASN A 15 42.727 17.049 9.797 1.00 0.00 H ATOM 223 H ASN A 15 40.232 15.472 7.480 1.00 0.00 H ATOM 224 N ASP A 16 37.557 16.735 5.814 1.00 35.78 N ATOM 225 CA ASP A 16 36.504 17.050 4.831 1.00 36.09 C ATOM 226 C ASP A 16 35.104 16.661 5.326 1.00 35.23 C ATOM 227 O ASP A 16 34.119 17.020 4.713 1.00 34.06 O ATOM 228 CB ASP A 16 36.744 16.306 3.503 1.00 36.89 C ATOM 229 CG ASP A 16 37.967 16.796 2.748 1.00 38.50 C ATOM 230 OD1 ASP A 16 38.272 18.010 2.786 1.00 38.22 O ATOM 231 OD2 ASP A 16 38.612 15.942 2.093 1.00 40.89 O ATOM 232 HA ASP A 16 36.552 18.129 4.686 1.00 0.00 H ATOM 233 HB2 ASP A 16 36.874 15.246 3.720 1.00 0.00 H ATOM 234 HB3 ASP A 16 35.869 16.442 2.868 1.00 0.00 H ATOM 235 H ASP A 16 38.085 15.843 5.724 1.00 0.00 H ATOM 236 N TYR A 17 35.035 15.896 6.416 1.00 34.87 N ATOM 237 CA TYR A 17 33.792 15.229 6.810 1.00 34.64 C ATOM 238 C TYR A 17 33.311 15.611 8.201 1.00 34.34 C ATOM 239 O TYR A 17 34.106 15.777 9.103 1.00 33.05 O ATOM 240 CB TYR A 17 33.974 13.707 6.710 1.00 35.36 C ATOM 241 CG TYR A 17 34.383 13.278 5.319 1.00 35.45 C ATOM 242 CD1 TYR A 17 35.701 12.915 5.038 1.00 35.12 C ATOM 243 CD2 TYR A 17 33.457 13.269 4.281 1.00 35.93 C ATOM 244 CE1 TYR A 17 36.083 12.529 3.755 1.00 35.50 C ATOM 245 CE2 TYR A 17 33.823 12.905 2.992 1.00 36.89 C ATOM 246 CZ TYR A 17 35.137 12.521 2.739 1.00 37.13 C ATOM 247 OH TYR A 17 35.497 12.166 1.453 1.00 37.60 O ATOM 248 HA TYR A 17 33.019 15.567 6.120 1.00 0.00 H ATOM 249 HB3 TYR A 17 33.032 13.222 6.966 1.00 0.00 H ATOM 250 HB2 TYR A 17 34.745 13.397 7.416 1.00 0.00 H ATOM 251 HD2 TYR A 17 32.424 13.553 4.483 1.00 0.00 H ATOM 252 HE2 TYR A 17 33.089 12.920 2.186 1.00 0.00 H ATOM 253 HE1 TYR A 17 37.113 12.237 3.551 1.00 0.00 H ATOM 254 HD1 TYR A 17 36.444 12.934 5.836 1.00 0.00 H ATOM 255 HH TYR A 17 36.456 11.920 1.436 1.00 0.00 H ATOM 256 H TYR A 17 35.885 15.770 7.001 1.00 0.00 H ATOM 257 N LYS A 18 31.999 15.777 8.354 1.00 34.40 N ATOM 258 CA LYS A 18 31.411 15.929 9.681 1.00 34.37 C ATOM 259 C LYS A 18 31.258 14.531 10.290 1.00 34.03 C ATOM 260 O LYS A 18 30.597 13.674 9.692 1.00 33.60 O ATOM 261 CB LYS A 18 30.052 16.634 9.612 1.00 34.54 C ATOM 262 CG LYS A 18 29.606 17.295 10.917 1.00 36.39 C ATOM 263 CD LYS A 18 30.653 18.302 11.386 1.00 38.97 C ATOM 264 CE LYS A 18 30.102 19.241 12.434 1.00 41.95 C ATOM 265 NZ LYS A 18 30.781 20.574 12.409 1.00 42.43 N ATOM 266 HA LYS A 18 32.060 16.548 10.300 1.00 0.00 H ATOM 267 HB2 LYS A 18 30.108 17.404 8.843 1.00 0.00 H ATOM 268 HB3 LYS A 18 29.301 15.896 9.331 1.00 0.00 H ATOM 269 HG2 LYS A 18 28.659 17.810 10.754 1.00 0.00 H ATOM 270 HG3 LYS A 18 29.475 16.529 11.682 1.00 0.00 H ATOM 271 HD2 LYS A 18 31.499 17.760 11.808 1.00 0.00 H ATOM 272 HD3 LYS A 18 30.988 18.887 10.530 1.00 0.00 H ATOM 273 HE2 LYS A 18 30.244 18.793 13.417 1.00 0.00 H ATOM 274 HE3 LYS A 18 29.037 19.385 12.252 1.00 0.00 H ATOM 275 HZ1 LYS A 18 31.797 20.447 12.589 1.00 0.00 H ATOM 276 HZ2 LYS A 18 30.645 21.013 11.476 1.00 0.00 H ATOM 277 HZ3 LYS A 18 30.371 21.185 13.144 1.00 0.00 H ATOM 278 H LYS A 18 31.384 15.799 7.516 1.00 0.00 H ATOM 279 N PRO A 19 31.891 14.281 11.457 1.00 33.78 N ATOM 280 CA PRO A 19 31.616 13.019 12.147 1.00 34.09 C ATOM 281 C PRO A 19 30.137 12.893 12.538 1.00 34.27 C ATOM 282 O PRO A 19 29.483 13.906 12.788 1.00 34.97 O ATOM 283 CB PRO A 19 32.532 13.084 13.385 1.00 33.71 C ATOM 284 CG PRO A 19 33.637 13.994 12.983 1.00 33.68 C ATOM 285 CD PRO A 19 32.919 15.062 12.172 1.00 33.75 C ATOM 286 HA PRO A 19 31.809 12.146 11.524 1.00 0.00 H ATOM 287 HD3 PRO A 19 32.465 15.811 12.821 1.00 0.00 H ATOM 288 HD2 PRO A 19 33.599 15.551 11.474 1.00 0.00 H ATOM 289 HG3 PRO A 19 34.376 13.470 12.376 1.00 0.00 H ATOM 290 HG2 PRO A 19 34.126 14.427 13.856 1.00 0.00 H ATOM 291 HB2 PRO A 19 31.993 13.487 14.243 1.00 0.00 H ATOM 292 HB3 PRO A 19 32.918 12.095 13.632 1.00 0.00 H ATOM 293 N PRO A 20 29.603 11.661 12.595 1.00 34.64 N ATOM 294 CA PRO A 20 30.304 10.373 12.453 1.00 34.94 C ATOM 295 C PRO A 20 30.883 10.129 11.057 1.00 35.08 C ATOM 296 O PRO A 20 30.279 10.495 10.042 1.00 34.95 O ATOM 297 CB PRO A 20 29.221 9.321 12.768 1.00 34.68 C ATOM 298 CG PRO A 20 28.050 10.055 13.262 1.00 35.06 C ATOM 299 CD PRO A 20 28.160 11.487 12.822 1.00 34.63 C ATOM 300 HA PRO A 20 31.170 10.338 13.115 1.00 0.00 H ATOM 301 HD3 PRO A 20 27.597 11.658 11.905 1.00 0.00 H ATOM 302 HD2 PRO A 20 27.802 12.163 13.598 1.00 0.00 H ATOM 303 HG3 PRO A 20 28.018 10.007 14.350 1.00 0.00 H ATOM 304 HG2 PRO A 20 27.141 9.614 12.853 1.00 0.00 H ATOM 305 HB2 PRO A 20 28.963 8.765 11.866 1.00 0.00 H ATOM 306 HB3 PRO A 20 29.580 8.629 13.530 1.00 0.00 H ATOM 307 N ILE A 21 32.055 9.518 11.038 1.00 35.64 N ATOM 308 CA ILE A 21 32.743 9.115 9.817 1.00 36.17 C ATOM 309 C ILE A 21 32.206 7.766 9.337 1.00 36.84 C ATOM 310 O ILE A 21 31.994 6.860 10.149 1.00 36.25 O ATOM 311 CB ILE A 21 34.292 8.972 10.050 1.00 35.77 C ATOM 312 CG1 ILE A 21 34.898 10.243 10.675 1.00 35.99 C ATOM 313 CG2 ILE A 21 35.009 8.558 8.736 1.00 34.78 C ATOM 314 CD1 ILE A 21 34.752 11.530 9.854 1.00 35.63 C ATOM 315 HA ILE A 21 32.563 9.889 9.071 1.00 0.00 H ATOM 316 HB ILE A 21 34.452 8.173 10.774 1.00 0.00 H ATOM 317 HG12 ILE A 21 34.414 10.405 11.638 1.00 0.00 H ATOM 318 HG13 ILE A 21 35.962 10.064 10.830 1.00 0.00 H ATOM 319 HD11 ILE A 21 35.243 11.402 8.890 1.00 0.00 H ATOM 320 HD12 ILE A 21 33.694 11.742 9.699 1.00 0.00 H ATOM 321 HD13 ILE A 21 35.215 12.357 10.392 1.00 0.00 H ATOM 322 HG21 ILE A 21 34.614 7.602 8.394 1.00 0.00 H ATOM 323 HG22 ILE A 21 34.835 9.318 7.974 1.00 0.00 H ATOM 324 HG23 ILE A 21 36.079 8.465 8.921 1.00 0.00 H ATOM 325 H ILE A 21 32.514 9.312 11.948 1.00 0.00 H ATOM 326 N SER A 22 32.041 7.635 8.020 1.00 37.38 N ATOM 327 CA SER A 22 31.501 6.424 7.403 1.00 38.81 C ATOM 328 C SER A 22 32.439 5.233 7.590 1.00 39.02 C ATOM 329 O SER A 22 33.656 5.394 7.723 1.00 39.16 O ATOM 330 CB SER A 22 31.308 6.645 5.915 1.00 38.77 C ATOM 331 OG SER A 22 32.576 6.600 5.277 1.00 41.89 O ATOM 332 HA SER A 22 30.549 6.208 7.889 1.00 0.00 H ATOM 333 HB2 SER A 22 30.847 7.618 5.746 1.00 0.00 H ATOM 334 HB3 SER A 22 30.665 5.864 5.509 1.00 0.00 H ATOM 335 HG SER A 22 32.992 5.715 5.434 1.00 0.00 H ATOM 336 H SER A 22 32.308 8.429 7.404 1.00 0.00 H ATOM 337 N LYS A 23 31.853 4.044 7.593 1.00 39.10 N ATOM 338 CA LYS A 23 32.596 2.787 7.621 1.00 39.65 C ATOM 339 C LYS A 23 33.567 2.726 6.447 1.00 38.74 C ATOM 340 O LYS A 23 34.714 2.366 6.624 1.00 38.56 O ATOM 341 CB LYS A 23 31.618 1.591 7.588 1.00 40.27 C ATOM 342 CG LYS A 23 32.281 0.214 7.621 1.00 42.93 C ATOM 343 CD LYS A 23 32.997 -0.079 8.965 1.00 44.83 C ATOM 344 CE LYS A 23 33.594 -1.497 9.010 1.00 45.29 C ATOM 345 NZ LYS A 23 32.683 -2.576 8.470 1.00 48.69 N ATOM 346 HA LYS A 23 33.172 2.734 8.545 1.00 0.00 H ATOM 347 HB2 LYS A 23 30.958 1.670 8.452 1.00 0.00 H ATOM 348 HB3 LYS A 23 31.028 1.661 6.674 1.00 0.00 H ATOM 349 HG2 LYS A 23 31.515 -0.545 7.462 1.00 0.00 H ATOM 350 HG3 LYS A 23 33.015 0.162 6.817 1.00 0.00 H ATOM 351 HD2 LYS A 23 33.801 0.645 9.100 1.00 0.00 H ATOM 352 HD3 LYS A 23 32.277 0.025 9.776 1.00 0.00 H ATOM 353 HE2 LYS A 23 33.828 -1.736 10.047 1.00 0.00 H ATOM 354 HE3 LYS A 23 34.512 -1.500 8.422 1.00 0.00 H ATOM 355 HZ1 LYS A 23 31.805 -2.598 9.027 1.00 0.00 H ATOM 356 HZ2 LYS A 23 32.458 -2.372 7.475 1.00 0.00 H ATOM 357 HZ3 LYS A 23 33.161 -3.497 8.537 1.00 0.00 H ATOM 358 H LYS A 23 30.814 4.004 7.575 1.00 0.00 H ATOM 359 N ALA A 24 33.098 3.119 5.264 1.00 38.24 N ATOM 360 CA ALA A 24 33.899 3.143 4.049 1.00 38.47 C ATOM 361 C ALA A 24 35.182 3.956 4.182 1.00 38.96 C ATOM 362 O ALA A 24 36.266 3.469 3.841 1.00 39.82 O ATOM 363 CB ALA A 24 33.051 3.638 2.851 1.00 38.80 C ATOM 364 HA ALA A 24 34.214 2.116 3.866 1.00 0.00 H ATOM 365 HB1 ALA A 24 32.204 2.967 2.705 1.00 0.00 H ATOM 366 HB2 ALA A 24 32.687 4.645 3.056 1.00 0.00 H ATOM 367 HB3 ALA A 24 33.667 3.649 1.952 1.00 0.00 H ATOM 368 H ALA A 24 32.106 3.425 5.205 1.00 0.00 H ATOM 369 N LYS A 25 35.077 5.172 4.712 1.00 39.49 N ATOM 370 CA LYS A 25 36.249 6.023 4.901 1.00 39.90 C ATOM 371 C LYS A 25 37.246 5.425 5.879 1.00 40.00 C ATOM 372 O LYS A 25 38.451 5.434 5.616 1.00 40.70 O ATOM 373 CB LYS A 25 35.853 7.461 5.295 1.00 40.06 C ATOM 374 CG LYS A 25 37.008 8.340 5.821 1.00 40.11 C ATOM 375 CD LYS A 25 38.144 8.573 4.820 1.00 41.60 C ATOM 376 CE LYS A 25 37.656 9.158 3.515 1.00 43.70 C ATOM 377 NZ LYS A 25 38.763 9.823 2.773 1.00 45.73 N ATOM 378 HA LYS A 25 36.754 6.078 3.936 1.00 0.00 H ATOM 379 HB2 LYS A 25 35.432 7.948 4.416 1.00 0.00 H ATOM 380 HB3 LYS A 25 35.093 7.400 6.074 1.00 0.00 H ATOM 381 HG2 LYS A 25 36.597 9.310 6.100 1.00 0.00 H ATOM 382 HG3 LYS A 25 37.427 7.857 6.704 1.00 0.00 H ATOM 383 HD2 LYS A 25 38.865 9.260 5.263 1.00 0.00 H ATOM 384 HD3 LYS A 25 38.631 7.619 4.615 1.00 0.00 H ATOM 385 HE2 LYS A 25 36.877 9.891 3.723 1.00 0.00 H ATOM 386 HE3 LYS A 25 37.245 8.358 2.899 1.00 0.00 H ATOM 387 HZ1 LYS A 25 39.156 10.591 3.354 1.00 0.00 H ATOM 388 HZ2 LYS A 25 39.508 9.127 2.566 1.00 0.00 H ATOM 389 HZ3 LYS A 25 38.396 10.214 1.882 1.00 0.00 H ATOM 390 H LYS A 25 34.141 5.524 4.998 1.00 0.00 H ATOM 391 N MET A 26 36.756 4.896 6.998 1.00 40.00 N ATOM 392 CA MET A 26 37.624 4.216 7.966 1.00 39.85 C ATOM 393 C MET A 26 38.325 2.990 7.368 1.00 39.13 C ATOM 394 O MET A 26 39.497 2.753 7.614 1.00 38.50 O ATOM 395 CB MET A 26 36.847 3.808 9.226 1.00 40.51 C ATOM 396 CG MET A 26 36.405 4.968 10.115 1.00 44.18 C ATOM 397 SD MET A 26 37.750 5.861 10.917 1.00 50.85 S ATOM 398 CE MET A 26 38.804 4.502 11.296 1.00 51.93 C ATOM 399 HA MET A 26 38.393 4.938 8.241 1.00 0.00 H ATOM 400 HB2 MET A 26 35.956 3.263 8.913 1.00 0.00 H ATOM 401 HB3 MET A 26 37.484 3.151 9.818 1.00 0.00 H ATOM 402 HG2 MET A 26 35.751 4.571 10.891 1.00 0.00 H ATOM 403 HG3 MET A 26 35.848 5.674 9.499 1.00 0.00 H ATOM 404 HE1 MET A 26 38.276 3.805 11.947 1.00 0.00 H ATOM 405 HE2 MET A 26 39.088 3.996 10.373 1.00 0.00 H ATOM 406 HE3 MET A 26 39.698 4.867 11.801 1.00 0.00 H ATOM 407 H MET A 26 35.736 4.966 7.190 1.00 0.00 H ATOM 408 N THR A 27 37.591 2.219 6.588 1.00 38.92 N ATOM 409 CA THR A 27 38.132 1.064 5.852 1.00 38.86 C ATOM 410 C THR A 27 39.213 1.501 4.863 1.00 38.56 C ATOM 411 O THR A 27 40.241 0.836 4.752 1.00 38.78 O ATOM 412 CB THR A 27 36.990 0.327 5.119 1.00 39.31 C ATOM 413 OG1 THR A 27 36.011 -0.065 6.089 1.00 39.62 O ATOM 414 CG2 THR A 27 37.486 -0.923 4.340 1.00 39.38 C ATOM 415 HA THR A 27 38.592 0.382 6.567 1.00 0.00 H ATOM 416 HB THR A 27 36.564 1.008 4.382 1.00 0.00 H ATOM 417 HG1 THR A 27 35.658 0.740 6.544 1.00 0.00 H ATOM 418 HG23 THR A 27 38.230 -0.619 3.604 1.00 0.00 H ATOM 419 HG21 THR A 27 37.932 -1.631 5.038 1.00 0.00 H ATOM 420 HG22 THR A 27 36.643 -1.392 3.834 1.00 0.00 H ATOM 421 H THR A 27 36.579 2.438 6.488 1.00 0.00 H ATOM 422 N GLN A 28 38.989 2.624 4.169 1.00 38.33 N ATOM 423 CA GLN A 28 39.990 3.194 3.246 1.00 38.29 C ATOM 424 C GLN A 28 41.286 3.583 3.949 1.00 37.70 C ATOM 425 O GLN A 28 42.375 3.229 3.492 1.00 37.65 O ATOM 426 CB GLN A 28 39.425 4.390 2.464 1.00 38.29 C ATOM 427 CG GLN A 28 38.473 3.960 1.366 1.00 40.99 C ATOM 428 CD GLN A 28 39.126 2.995 0.392 1.00 44.01 C ATOM 429 OE1 GLN A 28 39.882 3.416 -0.484 1.00 45.38 O ATOM 430 NE2 GLN A 28 38.840 1.691 0.541 1.00 42.87 N ATOM 431 HA GLN A 28 40.230 2.401 2.538 1.00 0.00 H ATOM 432 HB2 GLN A 28 38.891 5.041 3.156 1.00 0.00 H ATOM 433 HB3 GLN A 28 40.253 4.939 2.016 1.00 0.00 H ATOM 434 HG2 GLN A 28 37.610 3.473 1.819 1.00 0.00 H ATOM 435 HG3 GLN A 28 38.144 4.844 0.819 1.00 0.00 H ATOM 436 HE22 GLN A 28 38.195 1.383 1.297 1.00 0.00 H ATOM 437 HE21 GLN A 28 39.264 0.989 -0.099 1.00 0.00 H ATOM 438 H GLN A 28 38.078 3.112 4.284 1.00 0.00 H ATOM 439 N ILE A 29 41.152 4.291 5.069 1.00 37.09 N ATOM 440 CA ILE A 29 42.280 4.657 5.913 1.00 36.89 C ATOM 441 C ILE A 29 43.056 3.430 6.419 1.00 36.98 C ATOM 442 O ILE A 29 44.287 3.445 6.452 1.00 36.75 O ATOM 443 CB ILE A 29 41.802 5.508 7.120 1.00 37.11 C ATOM 444 CG1 ILE A 29 41.269 6.874 6.633 1.00 37.47 C ATOM 445 CG2 ILE A 29 42.916 5.637 8.194 1.00 37.31 C ATOM 446 CD1 ILE A 29 40.531 7.665 7.710 1.00 37.79 C ATOM 447 HA ILE A 29 42.958 5.245 5.295 1.00 0.00 H ATOM 448 HB ILE A 29 40.972 4.997 7.609 1.00 0.00 H ATOM 449 HG12 ILE A 29 42.114 7.469 6.287 1.00 0.00 H ATOM 450 HG13 ILE A 29 40.584 6.700 5.803 1.00 0.00 H ATOM 451 HD11 ILE A 29 39.675 7.088 8.060 1.00 0.00 H ATOM 452 HD12 ILE A 29 41.206 7.858 8.544 1.00 0.00 H ATOM 453 HD13 ILE A 29 40.187 8.611 7.292 1.00 0.00 H ATOM 454 HG21 ILE A 29 43.188 4.645 8.554 1.00 0.00 H ATOM 455 HG22 ILE A 29 43.790 6.118 7.754 1.00 0.00 H ATOM 456 HG23 ILE A 29 42.549 6.239 9.026 1.00 0.00 H ATOM 457 H ILE A 29 40.199 4.596 5.353 1.00 0.00 H ATOM 458 N THR A 30 42.311 2.404 6.838 1.00 37.00 N ATOM 459 CA THR A 30 42.827 1.148 7.369 1.00 36.78 C ATOM 460 C THR A 30 43.607 0.371 6.324 1.00 37.07 C ATOM 461 O THR A 30 44.724 -0.069 6.595 1.00 37.03 O ATOM 462 CB THR A 30 41.659 0.272 7.894 1.00 37.76 C ATOM 463 OG1 THR A 30 40.966 0.993 8.924 1.00 36.58 O ATOM 464 CG2 THR A 30 42.155 -1.082 8.451 1.00 34.88 C ATOM 465 HA THR A 30 43.505 1.394 8.186 1.00 0.00 H ATOM 466 HB THR A 30 40.992 0.056 7.059 1.00 0.00 H ATOM 467 HG1 THR A 30 40.218 0.441 9.265 1.00 0.00 H ATOM 468 HG23 THR A 30 42.680 -1.626 7.666 1.00 0.00 H ATOM 469 HG21 THR A 30 42.832 -0.904 9.287 1.00 0.00 H ATOM 470 HG22 THR A 30 41.301 -1.668 8.792 1.00 0.00 H ATOM 471 H THR A 30 41.278 2.510 6.781 1.00 0.00 H ATOM 472 N LYS A 31 43.002 0.204 5.140 1.00 37.59 N ATOM 473 CA LYS A 31 43.639 -0.432 3.992 1.00 37.82 C ATOM 474 C LYS A 31 44.921 0.307 3.603 1.00 37.53 C ATOM 475 O LYS A 31 45.928 -0.323 3.341 1.00 37.59 O ATOM 476 CB LYS A 31 42.669 -0.538 2.803 1.00 37.77 C ATOM 477 CG LYS A 31 41.708 -1.723 2.935 1.00 38.67 C ATOM 478 CD LYS A 31 40.781 -1.911 1.733 1.00 38.98 C ATOM 479 CE LYS A 31 39.808 -3.078 2.023 1.00 40.49 C ATOM 480 NZ LYS A 31 38.869 -3.399 0.904 1.00 40.18 N ATOM 481 HA LYS A 31 43.913 -1.447 4.279 1.00 0.00 H ATOM 482 HB2 LYS A 31 42.086 0.381 2.744 1.00 0.00 H ATOM 483 HB3 LYS A 31 43.249 -0.658 1.888 1.00 0.00 H ATOM 484 HG2 LYS A 31 42.298 -2.631 3.058 1.00 0.00 H ATOM 485 HG3 LYS A 31 41.093 -1.568 3.821 1.00 0.00 H ATOM 486 HD2 LYS A 31 40.214 -0.996 1.562 1.00 0.00 H ATOM 487 HD3 LYS A 31 41.373 -2.140 0.847 1.00 0.00 H ATOM 488 HE2 LYS A 31 39.216 -2.817 2.900 1.00 0.00 H ATOM 489 HE3 LYS A 31 40.399 -3.968 2.237 1.00 0.00 H ATOM 490 HZ1 LYS A 31 38.285 -2.565 0.693 1.00 0.00 H ATOM 491 HZ2 LYS A 31 39.415 -3.664 0.060 1.00 0.00 H ATOM 492 HZ3 LYS A 31 38.256 -4.191 1.184 1.00 0.00 H ATOM 493 H LYS A 31 42.026 0.546 5.034 1.00 0.00 H ATOM 494 N ALA A 32 44.899 1.639 3.602 1.00 36.66 N ATOM 495 CA ALA A 32 46.126 2.387 3.370 1.00 35.95 C ATOM 496 C ALA A 32 47.185 2.119 4.456 1.00 35.74 C ATOM 497 O ALA A 32 48.375 2.049 4.159 1.00 35.46 O ATOM 498 CB ALA A 32 45.854 3.851 3.217 1.00 35.48 C ATOM 499 HA ALA A 32 46.542 2.029 2.429 1.00 0.00 H ATOM 500 HB1 ALA A 32 45.187 4.009 2.369 1.00 0.00 H ATOM 501 HB2 ALA A 32 45.385 4.229 4.125 1.00 0.00 H ATOM 502 HB3 ALA A 32 46.793 4.378 3.045 1.00 0.00 H ATOM 503 H ALA A 32 44.005 2.144 3.767 1.00 0.00 H ATOM 504 N ALA A 33 46.763 1.957 5.703 1.00 35.73 N ATOM 505 CA ALA A 33 47.704 1.645 6.768 1.00 35.58 C ATOM 506 C ALA A 33 48.251 0.227 6.613 1.00 36.27 C ATOM 507 O ALA A 33 49.463 0.022 6.704 1.00 35.83 O ATOM 508 CB ALA A 33 47.044 1.787 8.103 1.00 35.85 C ATOM 509 HA ALA A 33 48.534 2.349 6.701 1.00 0.00 H ATOM 510 HB1 ALA A 33 46.693 2.812 8.226 1.00 0.00 H ATOM 511 HB2 ALA A 33 46.198 1.102 8.163 1.00 0.00 H ATOM 512 HB3 ALA A 33 47.761 1.550 8.889 1.00 0.00 H ATOM 513 H ALA A 33 45.751 2.054 5.921 1.00 0.00 H ATOM 514 N ILE A 34 47.346 -0.734 6.389 1.00 37.26 N ATOM 515 CA ILE A 34 47.676 -2.172 6.342 1.00 38.73 C ATOM 516 C ILE A 34 48.495 -2.494 5.130 1.00 38.83 C ATOM 517 O ILE A 34 49.265 -3.437 5.145 1.00 39.27 O ATOM 518 CB ILE A 34 46.423 -3.106 6.345 1.00 38.85 C ATOM 519 CG1 ILE A 34 45.629 -2.994 7.650 1.00 39.54 C ATOM 520 CG2 ILE A 34 46.823 -4.580 6.146 1.00 40.38 C ATOM 521 CD1 ILE A 34 46.365 -3.433 8.888 1.00 43.36 C ATOM 522 HA ILE A 34 48.240 -2.362 7.255 1.00 0.00 H ATOM 523 HB ILE A 34 45.798 -2.776 5.515 1.00 0.00 H ATOM 524 HG12 ILE A 34 45.340 -1.951 7.781 1.00 0.00 H ATOM 525 HG13 ILE A 34 44.734 -3.608 7.554 1.00 0.00 H ATOM 526 HD11 ILE A 34 46.651 -4.480 8.787 1.00 0.00 H ATOM 527 HD12 ILE A 34 47.258 -2.821 9.014 1.00 0.00 H ATOM 528 HD13 ILE A 34 45.716 -3.314 9.756 1.00 0.00 H ATOM 529 HG21 ILE A 34 47.336 -4.690 5.191 1.00 0.00 H ATOM 530 HG22 ILE A 34 47.487 -4.887 6.954 1.00 0.00 H ATOM 531 HG23 ILE A 34 45.928 -5.202 6.153 1.00 0.00 H ATOM 532 H ILE A 34 46.356 -0.452 6.240 1.00 0.00 H ATOM 533 N LYS A 35 48.306 -1.708 4.075 1.00 40.05 N ATOM 534 CA LYS A 35 49.092 -1.827 2.864 1.00 40.58 C ATOM 535 C LYS A 35 50.448 -1.123 3.035 1.00 40.70 C ATOM 536 O LYS A 35 51.426 -1.461 2.338 1.00 40.44 O ATOM 537 CB LYS A 35 48.318 -1.270 1.657 1.00 40.97 C ATOM 538 CG LYS A 35 47.095 -2.120 1.203 1.00 41.38 C ATOM 539 CD LYS A 35 46.269 -1.408 0.078 1.00 41.44 C ATOM 540 CE LYS A 35 47.055 -1.326 -1.229 1.00 41.98 C ATOM 541 NZ LYS A 35 46.301 -0.710 -2.359 1.00 43.62 N ATOM 542 HA LYS A 35 49.284 -2.883 2.674 1.00 0.00 H ATOM 543 HB2 LYS A 35 47.959 -0.274 1.917 1.00 0.00 H ATOM 544 HB3 LYS A 35 49.009 -1.198 0.817 1.00 0.00 H ATOM 545 HG2 LYS A 35 47.453 -3.077 0.825 1.00 0.00 H ATOM 546 HG3 LYS A 35 46.446 -2.290 2.062 1.00 0.00 H ATOM 547 HD2 LYS A 35 45.350 -1.969 -0.096 1.00 0.00 H ATOM 548 HD3 LYS A 35 46.021 -0.399 0.406 1.00 0.00 H ATOM 549 HE2 LYS A 35 47.342 -2.337 -1.520 1.00 0.00 H ATOM 550 HE3 LYS A 35 47.952 -0.732 -1.052 1.00 0.00 H ATOM 551 HZ1 LYS A 35 45.447 -1.271 -2.551 1.00 0.00 H ATOM 552 HZ2 LYS A 35 46.029 0.261 -2.104 1.00 0.00 H ATOM 553 HZ3 LYS A 35 46.903 -0.692 -3.207 1.00 0.00 H ATOM 554 H LYS A 35 47.565 -0.979 4.121 1.00 0.00 H ATOM 555 N ALA A 36 50.497 -0.151 3.953 1.00 40.30 N ATOM 556 CA ALA A 36 51.751 0.517 4.349 1.00 40.09 C ATOM 557 C ALA A 36 52.435 -0.153 5.566 1.00 40.18 C ATOM 558 O ALA A 36 53.189 0.500 6.301 1.00 40.00 O ATOM 559 CB ALA A 36 51.492 1.989 4.627 1.00 39.56 C ATOM 560 HA ALA A 36 52.443 0.418 3.512 1.00 0.00 H ATOM 561 HB1 ALA A 36 51.101 2.464 3.727 1.00 0.00 H ATOM 562 HB2 ALA A 36 50.765 2.083 5.434 1.00 0.00 H ATOM 563 HB3 ALA A 36 52.425 2.472 4.918 1.00 0.00 H ATOM 564 H ALA A 36 49.611 0.147 4.408 1.00 0.00 H ATOM 565 N ILE A 37 52.192 -1.451 5.765 1.00 40.39 N ATOM 566 CA ILE A 37 52.643 -2.156 6.986 1.00 40.79 C ATOM 567 C ILE A 37 54.173 -2.222 7.143 1.00 41.40 C ATOM 568 O ILE A 37 54.698 -2.373 8.253 1.00 41.72 O ATOM 569 CB ILE A 37 52.054 -3.595 7.084 1.00 40.99 C ATOM 570 CG1 ILE A 37 52.275 -4.167 8.491 1.00 40.88 C ATOM 571 CG2 ILE A 37 52.660 -4.521 6.004 1.00 39.64 C ATOM 572 CD1 ILE A 37 51.407 -5.342 8.826 1.00 40.56 C ATOM 573 HA ILE A 37 52.257 -1.548 7.804 1.00 0.00 H ATOM 574 HB ILE A 37 50.981 -3.539 6.902 1.00 0.00 H ATOM 575 HG12 ILE A 37 53.316 -4.478 8.573 1.00 0.00 H ATOM 576 HG13 ILE A 37 52.075 -3.378 9.215 1.00 0.00 H ATOM 577 HD11 ILE A 37 50.359 -5.048 8.763 1.00 0.00 H ATOM 578 HD12 ILE A 37 51.602 -6.149 8.120 1.00 0.00 H ATOM 579 HD13 ILE A 37 51.630 -5.680 9.838 1.00 0.00 H ATOM 580 HG21 ILE A 37 52.436 -4.119 5.016 1.00 0.00 H ATOM 581 HG22 ILE A 37 53.740 -4.576 6.139 1.00 0.00 H ATOM 582 HG23 ILE A 37 52.229 -5.518 6.098 1.00 0.00 H ATOM 583 H ILE A 37 51.670 -1.983 5.040 1.00 0.00 H ATOM 584 N LYS A 38 54.874 -2.130 6.020 1.00 41.14 N ATOM 585 CA LYS A 38 56.321 -2.040 5.998 1.00 41.24 C ATOM 586 C LYS A 38 56.791 -0.786 6.744 1.00 40.91 C ATOM 587 O LYS A 38 57.862 -0.781 7.360 1.00 41.19 O ATOM 588 CB LYS A 38 56.786 -1.999 4.543 1.00 41.10 C ATOM 589 CG LYS A 38 58.259 -1.919 4.349 1.00 42.53 C ATOM 590 CD LYS A 38 58.588 -1.607 2.898 1.00 44.51 C ATOM 591 CE LYS A 38 60.094 -1.551 2.668 1.00 46.38 C ATOM 592 NZ LYS A 38 60.816 -0.815 3.753 1.00 47.15 N ATOM 593 HA LYS A 38 56.750 -2.908 6.498 1.00 0.00 H ATOM 594 HB2 LYS A 38 56.430 -2.903 4.049 1.00 0.00 H ATOM 595 HB3 LYS A 38 56.336 -1.127 4.070 1.00 0.00 H ATOM 596 HG2 LYS A 38 58.663 -1.132 4.986 1.00 0.00 H ATOM 597 HG3 LYS A 38 58.710 -2.873 4.622 1.00 0.00 H ATOM 598 HD2 LYS A 38 58.161 -2.383 2.263 1.00 0.00 H ATOM 599 HD3 LYS A 38 58.153 -0.643 2.635 1.00 0.00 H ATOM 600 HE2 LYS A 38 60.284 -1.049 1.719 1.00 0.00 H ATOM 601 HE3 LYS A 38 60.478 -2.570 2.622 1.00 0.00 H ATOM 602 HZ1 LYS A 38 60.464 0.162 3.801 1.00 0.00 H ATOM 603 HZ2 LYS A 38 60.649 -1.290 4.663 1.00 0.00 H ATOM 604 HZ3 LYS A 38 61.835 -0.807 3.546 1.00 0.00 H ATOM 605 H LYS A 38 54.362 -2.122 5.115 1.00 0.00 H ATOM 606 N PHE A 39 55.989 0.272 6.665 1.00 40.21 N ATOM 607 CA PHE A 39 56.322 1.558 7.269 1.00 39.77 C ATOM 608 C PHE A 39 55.408 1.861 8.463 1.00 39.00 C ATOM 609 O PHE A 39 55.037 3.016 8.706 1.00 39.00 O ATOM 610 CB PHE A 39 56.205 2.672 6.225 1.00 40.04 C ATOM 611 CG PHE A 39 57.105 2.491 5.024 1.00 40.41 C ATOM 612 CD1 PHE A 39 58.413 2.962 5.039 1.00 40.68 C ATOM 613 CD2 PHE A 39 56.632 1.867 3.874 1.00 41.25 C ATOM 614 CE1 PHE A 39 59.242 2.799 3.938 1.00 41.09 C ATOM 615 CE2 PHE A 39 57.449 1.702 2.763 1.00 40.88 C ATOM 616 CZ PHE A 39 58.757 2.171 2.796 1.00 41.24 C ATOM 617 HA PHE A 39 57.349 1.508 7.631 1.00 0.00 H ATOM 618 HB2 PHE A 39 55.173 2.708 5.877 1.00 0.00 H ATOM 619 HB3 PHE A 39 56.459 3.618 6.704 1.00 0.00 H ATOM 620 HD2 PHE A 39 55.605 1.502 3.844 1.00 0.00 H ATOM 621 HE2 PHE A 39 57.067 1.207 1.870 1.00 0.00 H ATOM 622 HZ PHE A 39 59.403 2.047 1.927 1.00 0.00 H ATOM 623 HE1 PHE A 39 60.269 3.162 3.968 1.00 0.00 H ATOM 624 HD1 PHE A 39 58.793 3.466 5.928 1.00 0.00 H ATOM 625 H PHE A 39 55.089 0.179 6.152 1.00 0.00 H ATOM 626 N TYR A 40 55.064 0.815 9.209 1.00 38.12 N ATOM 627 CA TYR A 40 54.131 0.906 10.333 1.00 37.47 C ATOM 628 C TYR A 40 54.486 1.969 11.378 1.00 36.56 C ATOM 629 O TYR A 40 53.592 2.561 11.982 1.00 36.99 O ATOM 630 CB TYR A 40 53.922 -0.468 10.977 1.00 37.51 C ATOM 631 CG TYR A 40 55.085 -0.978 11.809 1.00 37.98 C ATOM 632 CD1 TYR A 40 56.194 -1.572 11.215 1.00 36.78 C ATOM 633 CD2 TYR A 40 55.046 -0.899 13.205 1.00 38.80 C ATOM 634 CE1 TYR A 40 57.250 -2.052 11.998 1.00 37.94 C ATOM 635 CE2 TYR A 40 56.084 -1.375 13.991 1.00 37.20 C ATOM 636 CZ TYR A 40 57.176 -1.946 13.388 1.00 38.15 C ATOM 637 OH TYR A 40 58.194 -2.406 14.180 1.00 38.72 O ATOM 638 HA TYR A 40 53.189 1.247 9.903 1.00 0.00 H ATOM 639 HB3 TYR A 40 53.736 -1.189 10.181 1.00 0.00 H ATOM 640 HB2 TYR A 40 53.046 -0.408 11.623 1.00 0.00 H ATOM 641 HD2 TYR A 40 54.177 -0.452 13.687 1.00 0.00 H ATOM 642 HE2 TYR A 40 56.033 -1.296 15.077 1.00 0.00 H ATOM 643 HE1 TYR A 40 58.122 -2.505 11.527 1.00 0.00 H ATOM 644 HD1 TYR A 40 56.241 -1.664 10.130 1.00 0.00 H ATOM 645 HH TYR A 40 58.907 -2.788 13.610 1.00 0.00 H ATOM 646 H TYR A 40 55.478 -0.112 8.983 1.00 0.00 H ATOM 647 N LYS A 41 55.776 2.245 11.543 1.00 35.61 N ATOM 648 CA LYS A 41 56.249 3.247 12.501 1.00 34.68 C ATOM 649 C LYS A 41 55.848 4.652 12.085 1.00 35.20 C ATOM 650 O LYS A 41 55.534 5.485 12.936 1.00 34.99 O ATOM 651 CB LYS A 41 57.776 3.170 12.692 1.00 33.84 C ATOM 652 CG LYS A 41 58.255 1.943 13.422 1.00 31.85 C ATOM 653 CD LYS A 41 59.783 1.906 13.526 1.00 33.72 C ATOM 654 CE LYS A 41 60.251 0.624 14.204 1.00 32.36 C ATOM 655 NZ LYS A 41 61.754 0.477 14.184 1.00 32.33 N ATOM 656 HA LYS A 41 55.770 3.021 13.454 1.00 0.00 H ATOM 657 HB2 LYS A 41 58.243 3.184 11.707 1.00 0.00 H ATOM 658 HB3 LYS A 41 58.093 4.047 13.256 1.00 0.00 H ATOM 659 HG2 LYS A 41 57.832 1.942 14.427 1.00 0.00 H ATOM 660 HG3 LYS A 41 57.916 1.057 12.885 1.00 0.00 H ATOM 661 HD2 LYS A 41 60.211 1.957 12.525 1.00 0.00 H ATOM 662 HD3 LYS A 41 60.122 2.763 14.109 1.00 0.00 H ATOM 663 HE2 LYS A 41 59.809 -0.227 13.687 1.00 0.00 H ATOM 664 HE3 LYS A 41 59.914 0.633 15.240 1.00 0.00 H ATOM 665 HZ1 LYS A 41 62.086 0.459 13.199 1.00 0.00 H ATOM 666 HZ2 LYS A 41 62.186 1.281 14.683 1.00 0.00 H ATOM 667 HZ3 LYS A 41 62.021 -0.410 14.657 1.00 0.00 H ATOM 668 H LYS A 41 56.475 1.730 10.971 1.00 0.00 H ATOM 669 N HIS A 42 55.865 4.904 10.777 1.00 35.62 N ATOM 670 CA HIS A 42 55.417 6.178 10.222 1.00 36.31 C ATOM 671 C HIS A 42 53.913 6.307 10.270 1.00 35.99 C ATOM 672 O HIS A 42 53.390 7.395 10.542 1.00 37.06 O ATOM 673 CB HIS A 42 55.898 6.339 8.781 1.00 36.58 C ATOM 674 CG HIS A 42 57.356 6.628 8.668 1.00 39.33 C ATOM 675 ND1 HIS A 42 58.304 5.634 8.536 1.00 41.44 N ATOM 676 CD2 HIS A 42 58.034 7.800 8.662 1.00 41.90 C ATOM 677 CE1 HIS A 42 59.504 6.181 8.455 1.00 42.83 C ATOM 678 NE2 HIS A 42 59.369 7.495 8.529 1.00 43.71 N ATOM 679 HA HIS A 42 55.850 6.967 10.837 1.00 0.00 H ATOM 680 HB2 HIS A 42 55.686 5.416 8.241 1.00 0.00 H ATOM 681 HB3 HIS A 42 55.347 7.160 8.323 1.00 0.00 H ATOM 682 HD2 HIS A 42 57.603 8.798 8.747 1.00 0.00 H ATOM 683 HE1 HIS A 42 60.445 5.642 8.346 1.00 0.00 H ATOM 684 H HIS A 42 56.209 4.168 10.129 1.00 0.00 H ATOM 685 N VAL A 43 53.213 5.209 9.998 1.00 35.46 N ATOM 686 CA VAL A 43 51.741 5.164 10.138 1.00 35.00 C ATOM 687 C VAL A 43 51.309 5.523 11.563 1.00 34.79 C ATOM 688 O VAL A 43 50.436 6.378 11.759 1.00 34.72 O ATOM 689 CB VAL A 43 51.155 3.787 9.721 1.00 34.85 C ATOM 690 CG1 VAL A 43 49.654 3.682 10.051 1.00 35.46 C ATOM 691 CG2 VAL A 43 51.397 3.525 8.219 1.00 36.12 C ATOM 692 HA VAL A 43 51.337 5.912 9.456 1.00 0.00 H ATOM 693 HB VAL A 43 51.674 3.023 10.299 1.00 0.00 H ATOM 694 HG11 VAL A 43 49.510 3.806 11.124 1.00 0.00 H ATOM 695 HG12 VAL A 43 49.111 4.462 9.518 1.00 0.00 H ATOM 696 HG13 VAL A 43 49.283 2.704 9.744 1.00 0.00 H ATOM 697 HG21 VAL A 43 50.914 4.307 7.633 1.00 0.00 H ATOM 698 HG22 VAL A 43 52.468 3.528 8.019 1.00 0.00 H ATOM 699 HG23 VAL A 43 50.979 2.555 7.949 1.00 0.00 H ATOM 700 H VAL A 43 53.716 4.357 9.677 1.00 0.00 H ATOM 701 N VAL A 44 51.916 4.875 12.557 1.00 34.93 N ATOM 702 CA VAL A 44 51.604 5.174 13.956 1.00 34.25 C ATOM 703 C VAL A 44 51.924 6.649 14.228 1.00 35.17 C ATOM 704 O VAL A 44 51.120 7.366 14.822 1.00 34.97 O ATOM 705 CB VAL A 44 52.364 4.223 14.933 1.00 34.53 C ATOM 706 CG1 VAL A 44 52.244 4.691 16.372 1.00 33.24 C ATOM 707 CG2 VAL A 44 51.870 2.737 14.780 1.00 32.89 C ATOM 708 HA VAL A 44 50.543 5.001 14.134 1.00 0.00 H ATOM 709 HB VAL A 44 53.420 4.255 14.663 1.00 0.00 H ATOM 710 HG11 VAL A 44 52.668 5.691 16.464 1.00 0.00 H ATOM 711 HG12 VAL A 44 51.193 4.713 16.659 1.00 0.00 H ATOM 712 HG13 VAL A 44 52.786 4.004 17.022 1.00 0.00 H ATOM 713 HG21 VAL A 44 50.804 2.685 15.002 1.00 0.00 H ATOM 714 HG22 VAL A 44 52.046 2.400 13.758 1.00 0.00 H ATOM 715 HG23 VAL A 44 52.418 2.100 15.474 1.00 0.00 H ATOM 716 H VAL A 44 52.623 4.145 12.335 1.00 0.00 H ATOM 717 N GLN A 45 53.096 7.100 13.781 1.00 35.50 N ATOM 718 CA GLN A 45 53.505 8.482 13.987 1.00 36.52 C ATOM 719 C GLN A 45 52.493 9.492 13.418 1.00 36.69 C ATOM 720 O GLN A 45 52.154 10.472 14.089 1.00 36.98 O ATOM 721 CB GLN A 45 54.892 8.718 13.394 1.00 36.27 C ATOM 722 CG GLN A 45 55.464 10.077 13.692 1.00 39.41 C ATOM 723 CD GLN A 45 56.858 10.248 13.114 1.00 43.35 C ATOM 724 OE1 GLN A 45 57.027 10.476 11.909 1.00 44.21 O ATOM 725 NE2 GLN A 45 57.872 10.122 13.972 1.00 44.44 N ATOM 726 HA GLN A 45 53.541 8.648 15.064 1.00 0.00 H ATOM 727 HB2 GLN A 45 55.570 7.965 13.797 1.00 0.00 H ATOM 728 HB3 GLN A 45 54.826 8.604 12.312 1.00 0.00 H ATOM 729 HG2 GLN A 45 54.810 10.836 13.263 1.00 0.00 H ATOM 730 HG3 GLN A 45 55.512 10.209 14.773 1.00 0.00 H ATOM 731 HE22 GLN A 45 57.682 9.930 14.976 1.00 0.00 H ATOM 732 HE21 GLN A 45 58.852 10.215 13.636 1.00 0.00 H ATOM 733 H GLN A 45 53.732 6.451 13.274 1.00 0.00 H ATOM 734 N SER A 46 52.035 9.248 12.190 1.00 36.66 N ATOM 735 CA SER A 46 51.023 10.082 11.533 1.00 37.54 C ATOM 736 C SER A 46 49.680 10.104 12.248 1.00 37.47 C ATOM 737 O SER A 46 49.055 11.165 12.380 1.00 37.48 O ATOM 738 CB SER A 46 50.797 9.619 10.092 1.00 37.71 C ATOM 739 OG SER A 46 51.985 9.723 9.349 1.00 38.22 O ATOM 740 HA SER A 46 51.425 11.095 11.561 1.00 0.00 H ATOM 741 HB2 SER A 46 50.030 10.241 9.631 1.00 0.00 H ATOM 742 HB3 SER A 46 50.466 8.580 10.096 1.00 0.00 H ATOM 743 HG SER A 46 51.820 9.420 8.421 1.00 0.00 H ATOM 744 H SER A 46 52.413 8.428 11.674 1.00 0.00 H ATOM 745 N VAL A 47 49.217 8.934 12.679 1.00 37.46 N ATOM 746 CA VAL A 47 47.997 8.864 13.483 1.00 37.57 C ATOM 747 C VAL A 47 48.110 9.654 14.803 1.00 37.85 C ATOM 748 O VAL A 47 47.196 10.408 15.161 1.00 37.78 O ATOM 749 CB VAL A 47 47.565 7.417 13.770 1.00 37.80 C ATOM 750 CG1 VAL A 47 46.374 7.390 14.745 1.00 37.86 C ATOM 751 CG2 VAL A 47 47.145 6.711 12.476 1.00 37.67 C ATOM 752 HA VAL A 47 47.224 9.335 12.875 1.00 0.00 H ATOM 753 HB VAL A 47 48.418 6.902 14.212 1.00 0.00 H ATOM 754 HG11 VAL A 47 46.663 7.865 15.682 1.00 0.00 H ATOM 755 HG12 VAL A 47 45.535 7.929 14.306 1.00 0.00 H ATOM 756 HG13 VAL A 47 46.084 6.356 14.934 1.00 0.00 H ATOM 757 HG21 VAL A 47 46.309 7.247 12.026 1.00 0.00 H ATOM 758 HG22 VAL A 47 47.985 6.698 11.782 1.00 0.00 H ATOM 759 HG23 VAL A 47 46.843 5.688 12.703 1.00 0.00 H ATOM 760 H VAL A 47 49.728 8.060 12.442 1.00 0.00 H ATOM 761 N GLU A 48 49.220 9.478 15.518 1.00 37.33 N ATOM 762 CA GLU A 48 49.487 10.228 16.758 1.00 37.45 C ATOM 763 C GLU A 48 49.608 11.747 16.524 1.00 37.95 C ATOM 764 O GLU A 48 49.087 12.546 17.314 1.00 37.40 O ATOM 765 CB GLU A 48 50.754 9.694 17.428 1.00 37.21 C ATOM 766 CG GLU A 48 50.538 8.308 17.975 1.00 38.30 C ATOM 767 CD GLU A 48 51.779 7.622 18.513 1.00 39.10 C ATOM 768 OE1 GLU A 48 52.899 8.166 18.402 1.00 39.95 O ATOM 769 OE2 GLU A 48 51.614 6.508 19.070 1.00 39.76 O ATOM 770 HA GLU A 48 48.630 10.078 17.414 1.00 0.00 H ATOM 771 HB2 GLU A 48 51.560 9.665 16.694 1.00 0.00 H ATOM 772 HB3 GLU A 48 51.032 10.360 18.245 1.00 0.00 H ATOM 773 HG2 GLU A 48 49.812 8.375 18.785 1.00 0.00 H ATOM 774 HG3 GLU A 48 50.131 7.690 17.175 1.00 0.00 H ATOM 775 H GLU A 48 49.924 8.786 15.189 1.00 0.00 H ATOM 776 N LYS A 49 50.289 12.133 15.442 1.00 37.59 N ATOM 777 CA LYS A 49 50.378 13.535 15.060 1.00 38.03 C ATOM 778 C LYS A 49 48.984 14.123 14.805 1.00 37.61 C ATOM 779 O LYS A 49 48.638 15.158 15.365 1.00 37.97 O ATOM 780 CB LYS A 49 51.305 13.730 13.854 1.00 37.88 C ATOM 781 CG LYS A 49 51.347 15.175 13.368 1.00 39.51 C ATOM 782 CD LYS A 49 52.202 15.373 12.117 1.00 39.31 C ATOM 783 CE LYS A 49 52.035 16.806 11.613 1.00 42.59 C ATOM 784 NZ LYS A 49 53.274 17.376 10.973 1.00 42.15 N ATOM 785 HA LYS A 49 50.819 14.082 15.894 1.00 0.00 H ATOM 786 HB2 LYS A 49 52.313 13.428 14.137 1.00 0.00 H ATOM 787 HB3 LYS A 49 50.953 13.098 13.038 1.00 0.00 H ATOM 788 HG2 LYS A 49 50.329 15.494 13.144 1.00 0.00 H ATOM 789 HG3 LYS A 49 51.754 15.796 14.166 1.00 0.00 H ATOM 790 HD2 LYS A 49 53.249 15.191 12.359 1.00 0.00 H ATOM 791 HD3 LYS A 49 51.883 14.675 11.343 1.00 0.00 H ATOM 792 HE2 LYS A 49 51.763 17.438 12.458 1.00 0.00 H ATOM 793 HE3 LYS A 49 51.231 16.820 10.877 1.00 0.00 H ATOM 794 HZ1 LYS A 49 54.050 17.381 11.666 1.00 0.00 H ATOM 795 HZ2 LYS A 49 53.541 16.791 10.156 1.00 0.00 H ATOM 796 HZ3 LYS A 49 53.083 18.348 10.657 1.00 0.00 H ATOM 797 H LYS A 49 50.766 11.416 14.859 1.00 0.00 H ATOM 798 N PHE A 50 48.182 13.434 13.995 1.00 37.35 N ATOM 799 CA PHE A 50 46.802 13.819 13.727 1.00 37.16 C ATOM 800 C PHE A 50 45.990 14.019 15.014 1.00 37.04 C ATOM 801 O PHE A 50 45.299 15.028 15.187 1.00 36.84 O ATOM 802 CB PHE A 50 46.107 12.792 12.806 1.00 36.95 C ATOM 803 CG PHE A 50 44.643 13.095 12.554 1.00 36.59 C ATOM 804 CD1 PHE A 50 44.259 13.945 11.520 1.00 35.82 C ATOM 805 CD2 PHE A 50 43.651 12.543 13.364 1.00 36.16 C ATOM 806 CE1 PHE A 50 42.912 14.249 11.299 1.00 35.95 C ATOM 807 CE2 PHE A 50 42.298 12.833 13.141 1.00 34.69 C ATOM 808 CZ PHE A 50 41.933 13.686 12.109 1.00 35.35 C ATOM 809 HA PHE A 50 46.841 14.780 13.214 1.00 0.00 H ATOM 810 HB2 PHE A 50 46.627 12.781 11.848 1.00 0.00 H ATOM 811 HB3 PHE A 50 46.181 11.808 13.269 1.00 0.00 H ATOM 812 HD2 PHE A 50 43.931 11.878 14.181 1.00 0.00 H ATOM 813 HE2 PHE A 50 41.533 12.389 13.778 1.00 0.00 H ATOM 814 HZ PHE A 50 40.881 13.914 11.934 1.00 0.00 H ATOM 815 HE1 PHE A 50 42.630 14.926 10.493 1.00 0.00 H ATOM 816 HD1 PHE A 50 45.020 14.380 10.873 1.00 0.00 H ATOM 817 H PHE A 50 48.558 12.582 13.532 1.00 0.00 H ATOM 818 N ILE A 51 46.070 13.045 15.902 1.00 37.04 N ATOM 819 CA ILE A 51 45.411 13.124 17.206 1.00 37.12 C ATOM 820 C ILE A 51 45.900 14.295 18.064 1.00 37.10 C ATOM 821 O ILE A 51 45.110 14.907 18.790 1.00 37.10 O ATOM 822 CB ILE A 51 45.500 11.779 17.955 1.00 36.95 C ATOM 823 CG1 ILE A 51 44.589 10.762 17.261 1.00 37.78 C ATOM 824 CG2 ILE A 51 45.135 11.937 19.449 1.00 36.13 C ATOM 825 CD1 ILE A 51 44.773 9.319 17.700 1.00 35.62 C ATOM 826 HA ILE A 51 44.359 13.330 17.009 1.00 0.00 H ATOM 827 HB ILE A 51 46.529 11.420 17.923 1.00 0.00 H ATOM 828 HG12 ILE A 51 43.555 11.045 17.459 1.00 0.00 H ATOM 829 HG13 ILE A 51 44.780 10.815 16.189 1.00 0.00 H ATOM 830 HD11 ILE A 51 45.797 9.007 17.497 1.00 0.00 H ATOM 831 HD12 ILE A 51 44.572 9.237 18.768 1.00 0.00 H ATOM 832 HD13 ILE A 51 44.081 8.682 17.149 1.00 0.00 H ATOM 833 HG21 ILE A 51 45.824 12.640 19.918 1.00 0.00 H ATOM 834 HG22 ILE A 51 44.116 12.314 19.535 1.00 0.00 H ATOM 835 HG23 ILE A 51 45.209 10.969 19.944 1.00 0.00 H ATOM 836 H ILE A 51 46.619 12.194 15.667 1.00 0.00 H ATOM 837 N GLN A 52 47.185 14.629 17.952 1.00 37.13 N ATOM 838 CA GLN A 52 47.735 15.765 18.660 1.00 37.86 C ATOM 839 C GLN A 52 47.170 17.102 18.128 1.00 37.47 C ATOM 840 O GLN A 52 46.867 18.014 18.905 1.00 36.75 O ATOM 841 CB GLN A 52 49.272 15.765 18.570 1.00 37.25 C ATOM 842 CG GLN A 52 49.965 16.817 19.448 1.00 38.79 C ATOM 843 CD GLN A 52 51.396 17.165 18.985 1.00 41.05 C ATOM 844 OE1 GLN A 52 51.922 16.587 18.023 1.00 45.65 O ATOM 845 NE2 GLN A 52 52.022 18.131 19.669 1.00 43.22 N ATOM 846 HA GLN A 52 47.439 15.671 19.705 1.00 0.00 H ATOM 847 HB2 GLN A 52 49.630 14.781 18.872 1.00 0.00 H ATOM 848 HB3 GLN A 52 49.552 15.950 17.533 1.00 0.00 H ATOM 849 HG2 GLN A 52 49.366 17.728 19.432 1.00 0.00 H ATOM 850 HG3 GLN A 52 50.016 16.435 20.468 1.00 0.00 H ATOM 851 HE22 GLN A 52 51.547 18.592 20.471 1.00 0.00 H ATOM 852 HE21 GLN A 52 52.984 18.420 19.398 1.00 0.00 H ATOM 853 H GLN A 52 47.807 14.061 17.342 1.00 0.00 H ATOM 854 N LYS A 53 47.035 17.209 16.809 1.00 37.70 N ATOM 855 CA LYS A 53 46.736 18.491 16.181 1.00 38.76 C ATOM 856 C LYS A 53 45.268 18.732 15.863 1.00 38.56 C ATOM 857 O LYS A 53 44.826 19.881 15.803 1.00 38.67 O ATOM 858 CB LYS A 53 47.554 18.667 14.895 1.00 39.43 C ATOM 859 CG LYS A 53 49.039 18.398 15.035 1.00 41.39 C ATOM 860 CD LYS A 53 49.750 19.530 15.720 1.00 44.79 C ATOM 861 CE LYS A 53 51.251 19.341 15.628 1.00 46.93 C ATOM 862 NZ LYS A 53 51.956 20.652 15.433 1.00 47.95 N ATOM 863 HA LYS A 53 47.013 19.230 16.933 1.00 0.00 H ATOM 864 HB2 LYS A 53 47.156 17.983 14.145 1.00 0.00 H ATOM 865 HB3 LYS A 53 47.428 19.694 14.552 1.00 0.00 H ATOM 866 HG2 LYS A 53 49.179 17.488 15.619 1.00 0.00 H ATOM 867 HG3 LYS A 53 49.468 18.261 14.042 1.00 0.00 H ATOM 868 HD2 LYS A 53 49.476 20.470 15.241 1.00 0.00 H ATOM 869 HD3 LYS A 53 49.454 19.558 16.769 1.00 0.00 H ATOM 870 HE2 LYS A 53 51.476 18.688 14.785 1.00 0.00 H ATOM 871 HE3 LYS A 53 51.608 18.879 16.549 1.00 0.00 H ATOM 872 HZ1 LYS A 53 51.624 21.095 14.553 1.00 0.00 H ATOM 873 HZ2 LYS A 53 51.750 21.278 16.237 1.00 0.00 H ATOM 874 HZ3 LYS A 53 52.981 20.487 15.374 1.00 0.00 H ATOM 875 H LYS A 53 47.145 16.363 16.214 1.00 0.00 H ATOM 876 N CYS A 54 44.509 17.665 15.638 1.00 38.16 N ATOM 877 CA CYS A 54 43.158 17.843 15.125 1.00 37.89 C ATOM 878 C CYS A 54 42.245 18.644 16.068 1.00 38.56 C ATOM 879 O CYS A 54 42.522 18.775 17.274 1.00 38.32 O ATOM 880 CB CYS A 54 42.536 16.495 14.753 1.00 37.65 C ATOM 881 SG CYS A 54 42.162 15.420 16.147 1.00 35.28 S ATOM 882 HA CYS A 54 43.248 18.446 14.221 1.00 0.00 H ATOM 883 HB2 CYS A 54 43.232 15.970 14.098 1.00 0.00 H ATOM 884 HB3 CYS A 54 41.608 16.687 14.215 1.00 0.00 H ATOM 885 HG CYS A 54 41.267 16.052 16.986 1.00 0.00 H ATOM 886 H CYS A 54 44.877 16.711 15.827 1.00 0.00 H ATOM 887 N LYS A 55 41.184 19.201 15.487 1.00 38.48 N ATOM 888 CA LYS A 55 40.087 19.830 16.222 1.00 39.18 C ATOM 889 C LYS A 55 39.409 18.806 17.129 1.00 38.53 C ATOM 890 O LYS A 55 39.405 17.627 16.814 1.00 38.75 O ATOM 891 CB LYS A 55 39.042 20.356 15.238 1.00 39.01 C ATOM 892 CG LYS A 55 39.527 21.436 14.274 1.00 40.70 C ATOM 893 CD LYS A 55 38.357 21.960 13.421 1.00 41.15 C ATOM 894 CE LYS A 55 38.811 22.400 12.029 1.00 43.83 C ATOM 895 NZ LYS A 55 39.277 21.219 11.224 1.00 46.18 N ATOM 896 HA LYS A 55 40.495 20.647 16.818 1.00 0.00 H ATOM 897 HB2 LYS A 55 38.685 19.514 14.646 1.00 0.00 H ATOM 898 HB3 LYS A 55 38.215 20.769 15.816 1.00 0.00 H ATOM 899 HG2 LYS A 55 39.954 22.261 14.844 1.00 0.00 H ATOM 900 HG3 LYS A 55 40.290 21.016 13.618 1.00 0.00 H ATOM 901 HD2 LYS A 55 37.616 21.167 13.315 1.00 0.00 H ATOM 902 HD3 LYS A 55 37.905 22.812 13.929 1.00 0.00 H ATOM 903 HE2 LYS A 55 39.631 23.112 12.128 1.00 0.00 H ATOM 904 HE3 LYS A 55 37.977 22.877 11.515 1.00 0.00 H ATOM 905 HZ1 LYS A 55 40.075 20.763 11.710 1.00 0.00 H ATOM 906 HZ2 LYS A 55 38.496 20.539 11.124 1.00 0.00 H ATOM 907 HZ3 LYS A 55 39.581 21.541 10.283 1.00 0.00 H ATOM 908 H LYS A 55 41.132 19.188 14.448 1.00 0.00 H ATOM 909 N PRO A 56 38.805 19.261 18.246 1.00 38.52 N ATOM 910 CA PRO A 56 38.135 18.376 19.207 1.00 37.90 C ATOM 911 C PRO A 56 37.172 17.345 18.598 1.00 37.56 C ATOM 912 O PRO A 56 37.148 16.205 19.069 1.00 38.07 O ATOM 913 CB PRO A 56 37.380 19.358 20.108 1.00 37.27 C ATOM 914 CG PRO A 56 38.199 20.569 20.062 1.00 38.50 C ATOM 915 CD PRO A 56 38.723 20.672 18.669 1.00 38.06 C ATOM 916 HA PRO A 56 38.864 17.746 19.716 1.00 0.00 H ATOM 917 HD3 PRO A 56 38.040 21.234 18.033 1.00 0.00 H ATOM 918 HD2 PRO A 56 39.705 21.145 18.652 1.00 0.00 H ATOM 919 HG3 PRO A 56 39.024 20.494 20.771 1.00 0.00 H ATOM 920 HG2 PRO A 56 37.594 21.443 20.303 1.00 0.00 H ATOM 921 HB2 PRO A 56 36.379 19.550 19.722 1.00 0.00 H ATOM 922 HB3 PRO A 56 37.308 18.975 21.126 1.00 0.00 H ATOM 923 N GLU A 57 36.409 17.721 17.564 1.00 37.18 N ATOM 924 CA GLU A 57 35.445 16.803 16.930 1.00 37.20 C ATOM 925 C GLU A 57 36.067 15.587 16.245 1.00 36.29 C ATOM 926 O GLU A 57 35.369 14.613 15.969 1.00 37.24 O ATOM 927 CB GLU A 57 34.522 17.535 15.939 1.00 37.83 C ATOM 928 CG GLU A 57 35.231 18.269 14.806 1.00 39.51 C ATOM 929 CD GLU A 57 35.321 19.753 15.066 1.00 44.39 C ATOM 930 OE1 GLU A 57 35.867 20.158 16.124 1.00 45.66 O ATOM 931 OE2 GLU A 57 34.821 20.522 14.213 1.00 46.02 O ATOM 932 HA GLU A 57 34.861 16.421 17.767 1.00 0.00 H ATOM 933 HB2 GLU A 57 33.852 16.798 15.496 1.00 0.00 H ATOM 934 HB3 GLU A 57 33.938 18.265 16.499 1.00 0.00 H ATOM 935 HG2 GLU A 57 36.239 17.867 14.702 1.00 0.00 H ATOM 936 HG3 GLU A 57 34.679 18.106 13.880 1.00 0.00 H ATOM 937 H GLU A 57 36.499 18.690 17.197 1.00 0.00 H ATOM 938 N TYR A 58 37.369 15.644 15.960 1.00 35.57 N ATOM 939 CA TYR A 58 38.062 14.543 15.268 1.00 34.61 C ATOM 940 C TYR A 58 38.831 13.612 16.184 1.00 34.83 C ATOM 941 O TYR A 58 39.453 12.671 15.701 1.00 35.43 O ATOM 942 CB TYR A 58 39.000 15.074 14.171 1.00 34.33 C ATOM 943 CG TYR A 58 38.266 15.744 13.013 1.00 33.30 C ATOM 944 CD1 TYR A 58 37.524 14.992 12.114 1.00 32.08 C ATOM 945 CD2 TYR A 58 38.315 17.127 12.839 1.00 31.14 C ATOM 946 CE1 TYR A 58 36.828 15.595 11.071 1.00 31.65 C ATOM 947 CE2 TYR A 58 37.641 17.747 11.784 1.00 31.86 C ATOM 948 CZ TYR A 58 36.889 16.969 10.908 1.00 32.28 C ATOM 949 OH TYR A 58 36.220 17.551 9.862 1.00 31.56 O ATOM 950 HA TYR A 58 37.262 13.952 14.822 1.00 0.00 H ATOM 951 HB3 TYR A 58 39.577 14.238 13.776 1.00 0.00 H ATOM 952 HB2 TYR A 58 39.677 15.802 14.618 1.00 0.00 H ATOM 953 HD2 TYR A 58 38.889 17.735 13.538 1.00 0.00 H ATOM 954 HE2 TYR A 58 37.703 18.827 11.648 1.00 0.00 H ATOM 955 HE1 TYR A 58 36.237 14.988 10.385 1.00 0.00 H ATOM 956 HD1 TYR A 58 37.485 13.909 12.227 1.00 0.00 H ATOM 957 HH TYR A 58 35.742 16.853 9.348 1.00 0.00 H ATOM 958 H TYR A 58 37.910 16.489 16.234 1.00 0.00 H ATOM 959 N LYS A 59 38.792 13.862 17.495 1.00 35.50 N ATOM 960 CA LYS A 59 39.508 13.030 18.471 1.00 35.93 C ATOM 961 C LYS A 59 38.950 11.608 18.442 1.00 36.70 C ATOM 962 O LYS A 59 39.710 10.633 18.318 1.00 37.21 O ATOM 963 CB LYS A 59 39.440 13.616 19.889 1.00 35.55 C ATOM 964 CG LYS A 59 40.036 15.036 20.058 1.00 35.66 C ATOM 965 CD LYS A 59 41.518 15.133 19.676 1.00 35.64 C ATOM 966 CE LYS A 59 42.066 16.522 20.073 1.00 35.17 C ATOM 967 NZ LYS A 59 43.223 16.941 19.237 1.00 34.55 N ATOM 968 HA LYS A 59 40.561 13.010 18.189 1.00 0.00 H ATOM 969 HB2 LYS A 59 38.392 13.655 20.186 1.00 0.00 H ATOM 970 HB3 LYS A 59 39.980 12.944 20.556 1.00 0.00 H ATOM 971 HG2 LYS A 59 39.472 15.723 19.427 1.00 0.00 H ATOM 972 HG3 LYS A 59 39.929 15.332 21.102 1.00 0.00 H ATOM 973 HD2 LYS A 59 42.079 14.358 20.199 1.00 0.00 H ATOM 974 HD3 LYS A 59 41.625 14.994 18.600 1.00 0.00 H ATOM 975 HE2 LYS A 59 42.382 16.488 21.115 1.00 0.00 H ATOM 976 HE3 LYS A 59 41.269 17.257 19.960 1.00 0.00 H ATOM 977 HZ1 LYS A 59 43.994 16.251 19.343 1.00 0.00 H ATOM 978 HZ2 LYS A 59 42.931 16.986 18.240 1.00 0.00 H ATOM 979 HZ3 LYS A 59 43.551 17.879 19.546 1.00 0.00 H ATOM 980 H LYS A 59 38.237 14.672 17.836 1.00 0.00 H ATOM 981 N VAL A 60 37.628 11.481 18.519 1.00 36.70 N ATOM 982 CA VAL A 60 37.001 10.145 18.448 1.00 37.39 C ATOM 983 C VAL A 60 37.263 9.462 17.085 1.00 37.38 C ATOM 984 O VAL A 60 37.710 8.317 17.057 1.00 38.34 O ATOM 985 CB VAL A 60 35.510 10.163 18.868 1.00 37.51 C ATOM 986 CG1 VAL A 60 34.833 8.816 18.605 1.00 37.88 C ATOM 987 CG2 VAL A 60 35.379 10.518 20.349 1.00 38.72 C ATOM 988 HA VAL A 60 37.490 9.517 19.193 1.00 0.00 H ATOM 989 HB VAL A 60 35.011 10.921 18.264 1.00 0.00 H ATOM 990 HG11 VAL A 60 34.888 8.585 17.541 1.00 0.00 H ATOM 991 HG12 VAL A 60 35.342 8.038 19.174 1.00 0.00 H ATOM 992 HG13 VAL A 60 33.789 8.869 18.913 1.00 0.00 H ATOM 993 HG21 VAL A 60 35.908 9.776 20.947 1.00 0.00 H ATOM 994 HG22 VAL A 60 35.810 11.504 20.525 1.00 0.00 H ATOM 995 HG23 VAL A 60 34.325 10.526 20.628 1.00 0.00 H ATOM 996 H VAL A 60 37.033 12.327 18.630 1.00 0.00 H ATOM 997 N PRO A 61 37.007 10.156 15.951 1.00 37.42 N ATOM 998 CA PRO A 61 37.497 9.638 14.660 1.00 37.57 C ATOM 999 C PRO A 61 38.948 9.152 14.670 1.00 37.52 C ATOM 1000 O PRO A 61 39.220 8.061 14.169 1.00 38.59 O ATOM 1001 CB PRO A 61 37.330 10.842 13.729 1.00 36.95 C ATOM 1002 CG PRO A 61 36.112 11.466 14.230 1.00 36.82 C ATOM 1003 CD PRO A 61 36.203 11.371 15.742 1.00 36.87 C ATOM 1004 HA PRO A 61 36.946 8.746 14.362 1.00 0.00 H ATOM 1005 HD3 PRO A 61 36.700 12.246 16.160 1.00 0.00 H ATOM 1006 HD2 PRO A 61 35.214 11.268 16.188 1.00 0.00 H ATOM 1007 HG3 PRO A 61 35.233 10.934 13.866 1.00 0.00 H ATOM 1008 HG2 PRO A 61 36.060 12.508 13.915 1.00 0.00 H ATOM 1009 HB2 PRO A 61 38.180 11.520 13.806 1.00 0.00 H ATOM 1010 HB3 PRO A 61 37.212 10.525 12.693 1.00 0.00 H ATOM 1011 N GLY A 62 39.857 9.931 15.252 1.00 37.38 N ATOM 1012 CA GLY A 62 41.267 9.543 15.327 1.00 37.28 C ATOM 1013 C GLY A 62 41.491 8.279 16.165 1.00 37.62 C ATOM 1014 O GLY A 62 42.288 7.402 15.793 1.00 35.99 O ATOM 1015 HA3 GLY A 62 41.831 10.362 15.774 1.00 0.00 H ATOM 1016 HA2 GLY A 62 41.633 9.361 14.316 1.00 0.00 H ATOM 1017 H GLY A 62 39.558 10.838 15.664 1.00 0.00 H ATOM 1018 N LEU A 63 40.797 8.190 17.301 1.00 37.69 N ATOM 1019 CA LEU A 63 40.764 6.931 18.079 1.00 38.53 C ATOM 1020 C LEU A 63 40.192 5.738 17.292 1.00 38.44 C ATOM 1021 O LEU A 63 40.682 4.624 17.414 1.00 39.20 O ATOM 1022 CB LEU A 63 39.960 7.102 19.374 1.00 38.31 C ATOM 1023 CG LEU A 63 39.706 5.871 20.257 1.00 38.04 C ATOM 1024 CD1 LEU A 63 41.018 5.172 20.695 1.00 36.86 C ATOM 1025 CD2 LEU A 63 38.947 6.326 21.448 1.00 38.00 C ATOM 1026 HA LEU A 63 41.806 6.708 18.309 1.00 0.00 H ATOM 1027 HB2 LEU A 63 40.490 7.832 19.986 1.00 0.00 H ATOM 1028 HB3 LEU A 63 38.985 7.503 19.095 1.00 0.00 H ATOM 1029 HG LEU A 63 39.144 5.133 19.684 1.00 0.00 H ATOM 1030 HD21 LEU A 63 39.533 7.069 21.989 1.00 0.00 H ATOM 1031 HD22 LEU A 63 38.003 6.768 21.129 1.00 0.00 H ATOM 1032 HD23 LEU A 63 38.749 5.474 22.098 1.00 0.00 H ATOM 1033 HD11 LEU A 63 41.566 4.844 19.812 1.00 0.00 H ATOM 1034 HD12 LEU A 63 41.629 5.873 21.264 1.00 0.00 H ATOM 1035 HD13 LEU A 63 40.779 4.309 21.317 1.00 0.00 H ATOM 1036 H LEU A 63 40.271 9.018 17.645 1.00 0.00 H ATOM 1037 N TYR A 64 39.129 5.963 16.526 1.00 38.45 N ATOM 1038 CA TYR A 64 38.564 4.906 15.677 1.00 37.67 C ATOM 1039 C TYR A 64 39.537 4.445 14.582 1.00 37.99 C ATOM 1040 O TYR A 64 39.498 3.282 14.153 1.00 38.09 O ATOM 1041 CB TYR A 64 37.252 5.369 15.040 1.00 37.77 C ATOM 1042 CG TYR A 64 36.081 5.432 16.001 1.00 37.95 C ATOM 1043 CD1 TYR A 64 36.133 4.778 17.235 1.00 37.45 C ATOM 1044 CD2 TYR A 64 34.901 6.104 15.658 1.00 36.73 C ATOM 1045 CE1 TYR A 64 35.076 4.817 18.101 1.00 37.26 C ATOM 1046 CE2 TYR A 64 33.825 6.139 16.535 1.00 35.59 C ATOM 1047 CZ TYR A 64 33.930 5.495 17.759 1.00 36.28 C ATOM 1048 OH TYR A 64 32.906 5.513 18.664 1.00 37.58 O ATOM 1049 HA TYR A 64 38.374 4.053 16.328 1.00 0.00 H ATOM 1050 HB3 TYR A 64 36.999 4.676 14.237 1.00 0.00 H ATOM 1051 HB2 TYR A 64 37.407 6.365 14.624 1.00 0.00 H ATOM 1052 HD2 TYR A 64 34.827 6.605 14.693 1.00 0.00 H ATOM 1053 HE2 TYR A 64 32.910 6.666 16.265 1.00 0.00 H ATOM 1054 HE1 TYR A 64 35.142 4.310 19.064 1.00 0.00 H ATOM 1055 HD1 TYR A 64 37.032 4.227 17.512 1.00 0.00 H ATOM 1056 HH TYR A 64 33.170 5.002 19.470 1.00 0.00 H ATOM 1057 H TYR A 64 38.689 6.905 16.528 1.00 0.00 H ATOM 1058 N VAL A 65 40.412 5.353 14.140 1.00 37.59 N ATOM 1059 CA VAL A 65 41.489 4.997 13.216 1.00 36.85 C ATOM 1060 C VAL A 65 42.395 4.020 13.928 1.00 37.15 C ATOM 1061 O VAL A 65 42.707 2.983 13.380 1.00 37.94 O ATOM 1062 CB VAL A 65 42.295 6.258 12.721 1.00 37.28 C ATOM 1063 CG1 VAL A 65 43.589 5.858 11.977 1.00 35.47 C ATOM 1064 CG2 VAL A 65 41.406 7.166 11.858 1.00 35.33 C ATOM 1065 HA VAL A 65 41.063 4.546 12.320 1.00 0.00 H ATOM 1066 HB VAL A 65 42.600 6.823 13.602 1.00 0.00 H ATOM 1067 HG11 VAL A 65 44.229 5.284 12.647 1.00 0.00 H ATOM 1068 HG12 VAL A 65 43.334 5.252 11.108 1.00 0.00 H ATOM 1069 HG13 VAL A 65 44.113 6.757 11.653 1.00 0.00 H ATOM 1070 HG21 VAL A 65 41.054 6.609 10.990 1.00 0.00 H ATOM 1071 HG22 VAL A 65 40.552 7.502 12.446 1.00 0.00 H ATOM 1072 HG23 VAL A 65 41.983 8.030 11.528 1.00 0.00 H ATOM 1073 H VAL A 65 40.325 6.338 14.461 1.00 0.00 H ATOM 1074 N ILE A 66 42.805 4.332 15.157 1.00 36.86 N ATOM 1075 CA ILE A 66 43.666 3.404 15.905 1.00 36.06 C ATOM 1076 C ILE A 66 42.946 2.068 16.070 1.00 35.81 C ATOM 1077 O ILE A 66 43.511 1.033 15.769 1.00 36.20 O ATOM 1078 CB ILE A 66 44.036 3.915 17.318 1.00 36.16 C ATOM 1079 CG1 ILE A 66 44.832 5.225 17.260 1.00 35.94 C ATOM 1080 CG2 ILE A 66 44.790 2.797 18.105 1.00 34.16 C ATOM 1081 CD1 ILE A 66 45.163 5.808 18.674 1.00 34.89 C ATOM 1082 HA ILE A 66 44.586 3.307 15.329 1.00 0.00 H ATOM 1083 HB ILE A 66 43.117 4.147 17.856 1.00 0.00 H ATOM 1084 HG12 ILE A 66 45.768 5.039 16.734 1.00 0.00 H ATOM 1085 HG13 ILE A 66 44.247 5.962 16.709 1.00 0.00 H ATOM 1086 HD11 ILE A 66 44.235 6.009 19.209 1.00 0.00 H ATOM 1087 HD12 ILE A 66 45.757 5.085 19.234 1.00 0.00 H ATOM 1088 HD13 ILE A 66 45.727 6.734 18.561 1.00 0.00 H ATOM 1089 HG21 ILE A 66 44.147 1.921 18.195 1.00 0.00 H ATOM 1090 HG22 ILE A 66 45.700 2.528 17.569 1.00 0.00 H ATOM 1091 HG23 ILE A 66 45.047 3.164 19.099 1.00 0.00 H ATOM 1092 H ILE A 66 42.516 5.233 15.588 1.00 0.00 H ATOM 1093 N ASP A 67 41.707 2.102 16.559 1.00 34.83 N ATOM 1094 CA ASP A 67 40.898 0.872 16.722 1.00 35.45 C ATOM 1095 C ASP A 67 40.820 0.042 15.442 1.00 35.39 C ATOM 1096 O ASP A 67 41.064 -1.165 15.440 1.00 35.92 O ATOM 1097 CB ASP A 67 39.480 1.239 17.177 1.00 34.48 C ATOM 1098 CG ASP A 67 38.615 0.055 17.412 1.00 35.42 C ATOM 1099 OD1 ASP A 67 38.870 -0.685 18.404 1.00 37.86 O ATOM 1100 OD2 ASP A 67 37.663 -0.149 16.614 1.00 36.45 O ATOM 1101 HA ASP A 67 41.395 0.262 17.476 1.00 0.00 H ATOM 1102 HB2 ASP A 67 39.550 1.807 18.105 1.00 0.00 H ATOM 1103 HB3 ASP A 67 39.019 1.858 16.408 1.00 0.00 H ATOM 1104 H ASP A 67 41.297 3.017 16.834 1.00 0.00 H ATOM 1105 N SER A 68 40.445 0.702 14.356 1.00 35.54 N ATOM 1106 CA SER A 68 40.228 0.018 13.086 1.00 35.28 C ATOM 1107 C SER A 68 41.494 -0.658 12.578 1.00 35.11 C ATOM 1108 O SER A 68 41.445 -1.784 12.124 1.00 34.85 O ATOM 1109 CB SER A 68 39.736 1.002 12.042 1.00 34.24 C ATOM 1110 OG SER A 68 39.482 0.309 10.848 1.00 36.41 O ATOM 1111 HA SER A 68 39.477 -0.753 13.259 1.00 0.00 H ATOM 1112 HB2 SER A 68 40.497 1.763 11.869 1.00 0.00 H ATOM 1113 HB3 SER A 68 38.820 1.479 12.391 1.00 0.00 H ATOM 1114 HG SER A 68 40.316 -0.123 10.535 1.00 0.00 H ATOM 1115 H SER A 68 40.302 1.731 14.410 1.00 0.00 H ATOM 1116 N ILE A 69 42.612 0.062 12.636 1.00 35.77 N ATOM 1117 CA ILE A 69 43.893 -0.437 12.168 1.00 35.78 C ATOM 1118 C ILE A 69 44.308 -1.612 13.026 1.00 36.21 C ATOM 1119 O ILE A 69 44.589 -2.676 12.501 1.00 36.75 O ATOM 1120 CB ILE A 69 44.988 0.683 12.215 1.00 36.24 C ATOM 1121 CG1 ILE A 69 44.791 1.695 11.088 1.00 35.11 C ATOM 1122 CG2 ILE A 69 46.392 0.073 12.166 1.00 36.70 C ATOM 1123 CD1 ILE A 69 45.661 2.958 11.227 1.00 35.18 C ATOM 1124 HA ILE A 69 43.790 -0.755 11.130 1.00 0.00 H ATOM 1125 HB ILE A 69 44.883 1.215 13.160 1.00 0.00 H ATOM 1126 HG12 ILE A 69 45.037 1.210 10.143 1.00 0.00 H ATOM 1127 HG13 ILE A 69 43.744 1.998 11.077 1.00 0.00 H ATOM 1128 HD11 ILE A 69 45.419 3.463 12.162 1.00 0.00 H ATOM 1129 HD12 ILE A 69 46.713 2.674 11.228 1.00 0.00 H ATOM 1130 HD13 ILE A 69 45.464 3.627 10.389 1.00 0.00 H ATOM 1131 HG21 ILE A 69 46.529 -0.589 13.021 1.00 0.00 H ATOM 1132 HG22 ILE A 69 46.508 -0.494 11.243 1.00 0.00 H ATOM 1133 HG23 ILE A 69 47.135 0.870 12.200 1.00 0.00 H ATOM 1134 H ILE A 69 42.566 1.022 13.033 1.00 0.00 H ATOM 1135 N VAL A 70 44.305 -1.445 14.353 1.00 36.52 N ATOM 1136 CA VAL A 70 44.808 -2.511 15.236 1.00 36.55 C ATOM 1137 C VAL A 70 43.923 -3.765 15.177 1.00 36.33 C ATOM 1138 O VAL A 70 44.429 -4.874 15.097 1.00 36.31 O ATOM 1139 CB VAL A 70 44.953 -2.003 16.694 1.00 36.72 C ATOM 1140 CG1 VAL A 70 45.279 -3.138 17.623 1.00 36.34 C ATOM 1141 CG2 VAL A 70 46.026 -0.928 16.784 1.00 36.53 C ATOM 1142 HA VAL A 70 45.797 -2.793 14.874 1.00 0.00 H ATOM 1143 HB VAL A 70 44.000 -1.570 16.996 1.00 0.00 H ATOM 1144 HG11 VAL A 70 44.479 -3.878 17.585 1.00 0.00 H ATOM 1145 HG12 VAL A 70 46.217 -3.599 17.316 1.00 0.00 H ATOM 1146 HG13 VAL A 70 45.376 -2.757 18.640 1.00 0.00 H ATOM 1147 HG21 VAL A 70 46.980 -1.341 16.457 1.00 0.00 H ATOM 1148 HG22 VAL A 70 45.753 -0.089 16.143 1.00 0.00 H ATOM 1149 HG23 VAL A 70 46.111 -0.586 17.816 1.00 0.00 H ATOM 1150 H VAL A 70 43.946 -0.559 14.763 1.00 0.00 H ATOM 1151 N ARG A 71 42.606 -3.598 15.176 1.00 36.13 N ATOM 1152 CA ARG A 71 41.722 -4.768 15.079 1.00 35.90 C ATOM 1153 C ARG A 71 41.798 -5.470 13.714 1.00 35.33 C ATOM 1154 O ARG A 71 41.700 -6.681 13.637 1.00 35.32 O ATOM 1155 CB ARG A 71 40.274 -4.398 15.391 1.00 35.75 C ATOM 1156 CG ARG A 71 40.011 -4.091 16.894 1.00 36.24 C ATOM 1157 CD ARG A 71 38.642 -3.401 17.061 1.00 38.08 C ATOM 1158 NE ARG A 71 37.580 -4.234 16.541 1.00 42.54 N ATOM 1159 CZ ARG A 71 36.721 -3.909 15.575 1.00 42.56 C ATOM 1160 NH1 ARG A 71 36.712 -2.710 15.006 1.00 42.26 N ATOM 1161 NH2 ARG A 71 35.842 -4.813 15.200 1.00 39.22 N ATOM 1162 HA ARG A 71 42.083 -5.473 15.828 1.00 0.00 H ATOM 1163 HB2 ARG A 71 40.012 -3.514 14.809 1.00 0.00 H ATOM 1164 HB3 ARG A 71 39.635 -5.230 15.093 1.00 0.00 H ATOM 1165 HG2 ARG A 71 40.017 -5.023 17.459 1.00 0.00 H ATOM 1166 HG3 ARG A 71 40.795 -3.434 17.271 1.00 0.00 H ATOM 1167 HD2 ARG A 71 38.651 -2.454 16.521 1.00 0.00 H ATOM 1168 HD3 ARG A 71 38.463 -3.213 18.120 1.00 0.00 H ATOM 1169 HE ARG A 71 37.476 -5.179 16.962 1.00 0.00 H ATOM 1170 HH12 ARG A 71 36.025 -2.496 14.255 1.00 0.00 H ATOM 1171 HH11 ARG A 71 37.392 -1.984 15.311 1.00 0.00 H ATOM 1172 HH22 ARG A 71 35.157 -4.592 14.449 1.00 0.00 H ATOM 1173 HH21 ARG A 71 35.832 -5.748 15.655 1.00 0.00 H ATOM 1174 H ARG A 71 42.201 -2.642 15.244 1.00 0.00 H ATOM 1175 N GLN A 72 41.933 -4.703 12.635 1.00 35.35 N ATOM 1176 CA GLN A 72 42.048 -5.307 11.305 1.00 34.73 C ATOM 1177 C GLN A 72 43.337 -6.106 11.220 1.00 34.03 C ATOM 1178 O GLN A 72 43.344 -7.249 10.802 1.00 33.52 O ATOM 1179 CB GLN A 72 42.003 -4.241 10.197 1.00 34.66 C ATOM 1180 CG GLN A 72 42.186 -4.839 8.770 1.00 36.21 C ATOM 1181 CD GLN A 72 41.099 -5.828 8.407 1.00 36.44 C ATOM 1182 OE1 GLN A 72 39.931 -5.626 8.736 1.00 37.97 O ATOM 1183 NE2 GLN A 72 41.477 -6.914 7.743 1.00 38.26 N ATOM 1184 HA GLN A 72 41.198 -5.972 11.154 1.00 0.00 H ATOM 1185 HB2 GLN A 72 41.039 -3.734 10.241 1.00 0.00 H ATOM 1186 HB3 GLN A 72 42.800 -3.519 10.376 1.00 0.00 H ATOM 1187 HG2 GLN A 72 42.173 -4.024 8.046 1.00 0.00 H ATOM 1188 HG3 GLN A 72 43.149 -5.347 8.725 1.00 0.00 H ATOM 1189 HE22 GLN A 72 42.476 -7.044 7.485 1.00 0.00 H ATOM 1190 HE21 GLN A 72 40.774 -7.634 7.481 1.00 0.00 H ATOM 1191 H GLN A 72 41.957 -3.668 12.736 1.00 0.00 H ATOM 1192 N SER A 73 44.416 -5.476 11.660 1.00 34.25 N ATOM 1193 CA SER A 73 45.752 -6.052 11.658 1.00 34.83 C ATOM 1194 C SER A 73 45.853 -7.343 12.472 1.00 34.73 C ATOM 1195 O SER A 73 46.470 -8.323 12.031 1.00 34.48 O ATOM 1196 CB SER A 73 46.726 -5.003 12.204 1.00 34.87 C ATOM 1197 OG SER A 73 48.062 -5.441 12.135 1.00 36.83 O ATOM 1198 HA SER A 73 46.001 -6.325 10.633 1.00 0.00 H ATOM 1199 HB2 SER A 73 46.476 -4.797 13.245 1.00 0.00 H ATOM 1200 HB3 SER A 73 46.624 -4.089 11.619 1.00 0.00 H ATOM 1201 HG SER A 73 48.658 -4.738 12.496 1.00 0.00 H ATOM 1202 H SER A 73 44.301 -4.511 12.029 1.00 0.00 H ATOM 1203 N ARG A 74 45.266 -7.324 13.670 1.00 34.59 N ATOM 1204 CA ARG A 74 45.184 -8.499 14.533 1.00 34.93 C ATOM 1205 C ARG A 74 44.410 -9.639 13.867 1.00 33.95 C ATOM 1206 O ARG A 74 44.785 -10.789 13.970 1.00 33.93 O ATOM 1207 CB ARG A 74 44.559 -8.130 15.892 1.00 34.95 C ATOM 1208 CG ARG A 74 45.475 -7.275 16.761 1.00 35.60 C ATOM 1209 CD ARG A 74 44.757 -6.723 17.980 1.00 36.18 C ATOM 1210 NE ARG A 74 44.206 -7.798 18.809 1.00 37.85 N ATOM 1211 CZ ARG A 74 44.901 -8.469 19.715 1.00 39.45 C ATOM 1212 NH1 ARG A 74 46.182 -8.196 19.918 1.00 41.67 N ATOM 1213 NH2 ARG A 74 44.319 -9.428 20.408 1.00 41.32 N ATOM 1214 HA ARG A 74 46.200 -8.855 14.704 1.00 0.00 H ATOM 1215 HB2 ARG A 74 43.637 -7.577 15.711 1.00 0.00 H ATOM 1216 HB3 ARG A 74 44.330 -9.050 16.430 1.00 0.00 H ATOM 1217 HG2 ARG A 74 46.314 -7.886 17.094 1.00 0.00 H ATOM 1218 HG3 ARG A 74 45.848 -6.442 16.165 1.00 0.00 H ATOM 1219 HD2 ARG A 74 43.944 -6.077 17.650 1.00 0.00 H ATOM 1220 HD3 ARG A 74 45.462 -6.142 18.575 1.00 0.00 H ATOM 1221 HE ARG A 74 43.206 -8.050 18.678 1.00 0.00 H ATOM 1222 HH12 ARG A 74 46.720 -8.728 20.631 1.00 0.00 H ATOM 1223 HH11 ARG A 74 46.649 -7.450 19.364 1.00 0.00 H ATOM 1224 HH22 ARG A 74 44.861 -9.957 21.120 1.00 0.00 H ATOM 1225 HH21 ARG A 74 43.318 -9.655 20.242 1.00 0.00 H ATOM 1226 H ARG A 74 44.848 -6.432 14.004 1.00 0.00 H ATOM 1227 N HIS A 75 43.331 -9.296 13.176 1.00 33.45 N ATOM 1228 CA HIS A 75 42.536 -10.277 12.470 1.00 32.75 C ATOM 1229 C HIS A 75 43.266 -10.754 11.219 1.00 32.38 C ATOM 1230 O HIS A 75 43.250 -11.938 10.911 1.00 32.33 O ATOM 1231 CB HIS A 75 41.203 -9.636 12.082 1.00 32.97 C ATOM 1232 CG HIS A 75 40.254 -10.571 11.404 1.00 33.44 C ATOM 1233 ND1 HIS A 75 39.560 -11.545 12.087 1.00 34.47 N ATOM 1234 CD2 HIS A 75 39.862 -10.666 10.110 1.00 34.99 C ATOM 1235 CE1 HIS A 75 38.796 -12.214 11.241 1.00 34.48 C ATOM 1236 NE2 HIS A 75 38.959 -11.700 10.034 1.00 35.73 N ATOM 1237 HA HIS A 75 42.364 -11.139 13.114 1.00 0.00 H ATOM 1238 HB2 HIS A 75 40.726 -9.260 12.987 1.00 0.00 H ATOM 1239 HB3 HIS A 75 41.406 -8.804 11.408 1.00 0.00 H ATOM 1240 HD2 HIS A 75 40.200 -10.040 9.284 1.00 0.00 H ATOM 1241 HE1 HIS A 75 38.142 -13.048 11.495 1.00 0.00 H ATOM 1242 H HIS A 75 43.049 -8.296 13.141 1.00 0.00 H ATOM 1243 N GLN A 76 43.895 -9.831 10.490 1.00 31.75 N ATOM 1244 CA GLN A 76 44.515 -10.163 9.192 1.00 31.36 C ATOM 1245 C GLN A 76 45.831 -10.951 9.366 1.00 30.86 C ATOM 1246 O GLN A 76 46.103 -11.914 8.642 1.00 30.43 O ATOM 1247 CB GLN A 76 44.724 -8.873 8.387 1.00 31.33 C ATOM 1248 CG GLN A 76 45.171 -9.079 6.950 1.00 32.01 C ATOM 1249 CD GLN A 76 44.885 -7.875 6.081 1.00 32.65 C ATOM 1250 OE1 GLN A 76 44.065 -7.020 6.423 1.00 32.62 O ATOM 1251 NE2 GLN A 76 45.534 -7.817 4.934 1.00 32.64 N ATOM 1252 HA GLN A 76 43.843 -10.819 8.639 1.00 0.00 H ATOM 1253 HB2 GLN A 76 43.781 -8.326 8.373 1.00 0.00 H ATOM 1254 HB3 GLN A 76 45.481 -8.276 8.895 1.00 0.00 H ATOM 1255 HG2 GLN A 76 46.244 -9.271 6.941 1.00 0.00 H ATOM 1256 HG3 GLN A 76 44.645 -9.941 6.539 1.00 0.00 H ATOM 1257 HE22 GLN A 76 46.218 -8.560 4.685 1.00 0.00 H ATOM 1258 HE21 GLN A 76 45.362 -7.028 4.279 1.00 0.00 H ATOM 1259 H GLN A 76 43.950 -8.855 10.844 1.00 0.00 H ATOM 1260 N PHE A 77 46.620 -10.540 10.354 1.00 30.92 N ATOM 1261 CA PHE A 77 47.967 -11.052 10.565 1.00 31.03 C ATOM 1262 C PHE A 77 48.090 -11.922 11.801 1.00 31.67 C ATOM 1263 O PHE A 77 49.075 -12.628 11.948 1.00 31.44 O ATOM 1264 CB PHE A 77 48.975 -9.893 10.622 1.00 30.31 C ATOM 1265 CG PHE A 77 48.981 -9.063 9.388 1.00 30.10 C ATOM 1266 CD1 PHE A 77 48.412 -7.800 9.385 1.00 28.78 C ATOM 1267 CD2 PHE A 77 49.499 -9.579 8.194 1.00 28.04 C ATOM 1268 CE1 PHE A 77 48.385 -7.047 8.235 1.00 29.23 C ATOM 1269 CE2 PHE A 77 49.489 -8.827 7.044 1.00 28.26 C ATOM 1270 CZ PHE A 77 48.924 -7.557 7.046 1.00 26.51 C ATOM 1271 HA PHE A 77 48.193 -11.693 9.713 1.00 0.00 H ATOM 1272 HB2 PHE A 77 48.722 -9.255 11.469 1.00 0.00 H ATOM 1273 HB3 PHE A 77 49.973 -10.308 10.766 1.00 0.00 H ATOM 1274 HD2 PHE A 77 49.914 -10.587 8.177 1.00 0.00 H ATOM 1275 HE2 PHE A 77 49.925 -9.227 6.129 1.00 0.00 H ATOM 1276 HZ PHE A 77 48.900 -6.964 6.132 1.00 0.00 H ATOM 1277 HE1 PHE A 77 47.943 -6.051 8.248 1.00 0.00 H ATOM 1278 HD1 PHE A 77 47.982 -7.399 10.303 1.00 0.00 H ATOM 1279 H PHE A 77 46.258 -9.817 11.008 1.00 0.00 H ATOM 1280 N GLY A 78 47.085 -11.891 12.668 1.00 32.71 N ATOM 1281 CA GLY A 78 47.140 -12.640 13.928 1.00 34.62 C ATOM 1282 C GLY A 78 47.504 -11.759 15.111 1.00 35.93 C ATOM 1283 O GLY A 78 48.332 -10.842 14.991 1.00 35.20 O ATOM 1284 HA3 GLY A 78 47.888 -13.428 13.835 1.00 0.00 H ATOM 1285 HA2 GLY A 78 46.163 -13.088 14.112 1.00 0.00 H ATOM 1286 H GLY A 78 46.241 -11.324 12.449 1.00 0.00 H ATOM 1287 N GLN A 79 46.882 -12.032 16.261 1.00 37.81 N ATOM 1288 CA GLN A 79 47.140 -11.249 17.481 1.00 39.50 C ATOM 1289 C GLN A 79 48.623 -11.274 17.828 1.00 39.97 C ATOM 1290 O GLN A 79 49.206 -10.230 18.156 1.00 40.41 O ATOM 1291 CB GLN A 79 46.358 -11.800 18.670 1.00 40.23 C ATOM 1292 CG GLN A 79 44.956 -12.302 18.372 1.00 43.36 C ATOM 1293 CD GLN A 79 44.423 -13.144 19.509 1.00 46.58 C ATOM 1294 OE1 GLN A 79 44.350 -12.686 20.652 1.00 48.52 O ATOM 1295 NE2 GLN A 79 44.066 -14.392 19.210 1.00 49.39 N ATOM 1296 HA GLN A 79 46.819 -10.227 17.281 1.00 0.00 H ATOM 1297 HB2 GLN A 79 46.928 -12.630 19.088 1.00 0.00 H ATOM 1298 HB3 GLN A 79 46.277 -11.006 19.413 1.00 0.00 H ATOM 1299 HG2 GLN A 79 44.296 -11.447 18.223 1.00 0.00 H ATOM 1300 HG3 GLN A 79 44.979 -12.904 17.464 1.00 0.00 H ATOM 1301 HE22 GLN A 79 44.145 -14.735 18.231 1.00 0.00 H ATOM 1302 HE21 GLN A 79 43.708 -15.023 19.955 1.00 0.00 H ATOM 1303 H GLN A 79 46.199 -12.816 16.296 1.00 0.00 H ATOM 1304 N GLU A 80 49.214 -12.473 17.746 1.00 40.16 N ATOM 1305 CA GLU A 80 50.640 -12.707 18.012 1.00 40.87 C ATOM 1306 C GLU A 80 51.520 -11.810 17.136 1.00 39.89 C ATOM 1307 O GLU A 80 52.566 -11.331 17.568 1.00 40.13 O ATOM 1308 CB GLU A 80 51.033 -14.182 17.744 1.00 40.74 C ATOM 1309 CG GLU A 80 50.230 -15.281 18.490 1.00 42.52 C ATOM 1310 CD GLU A 80 50.995 -16.657 18.528 1.00 43.11 C ATOM 1311 OE1 GLU A 80 51.130 -17.331 17.457 1.00 45.71 O ATOM 1312 OE2 GLU A 80 51.451 -17.079 19.640 1.00 45.35 O ATOM 1313 HA GLU A 80 50.802 -12.472 19.064 1.00 0.00 H ATOM 1314 HB2 GLU A 80 50.919 -14.362 16.675 1.00 0.00 H ATOM 1315 HB3 GLU A 80 52.081 -14.297 18.021 1.00 0.00 H ATOM 1316 HG2 GLU A 80 50.050 -14.951 19.513 1.00 0.00 H ATOM 1317 HG3 GLU A 80 49.276 -15.424 17.983 1.00 0.00 H ATOM 1318 H GLU A 80 48.627 -13.289 17.477 1.00 0.00 H ATOM 1319 N LYS A 81 51.083 -11.577 15.902 1.00 39.31 N ATOM 1320 CA LYS A 81 51.967 -11.041 14.877 1.00 38.30 C ATOM 1321 C LYS A 81 51.761 -9.576 14.536 1.00 38.05 C ATOM 1322 O LYS A 81 52.617 -8.969 13.892 1.00 37.79 O ATOM 1323 CB LYS A 81 51.868 -11.905 13.631 1.00 38.57 C ATOM 1324 CG LYS A 81 52.524 -13.264 13.809 1.00 37.91 C ATOM 1325 CD LYS A 81 54.048 -13.088 13.858 1.00 39.57 C ATOM 1326 CE LYS A 81 54.706 -14.502 13.822 1.00 40.02 C ATOM 1327 NZ LYS A 81 56.040 -14.333 13.088 1.00 42.42 N ATOM 1328 HA LYS A 81 52.971 -11.076 15.300 1.00 0.00 H ATOM 1329 HB2 LYS A 81 50.815 -12.054 13.392 1.00 0.00 H ATOM 1330 HB3 LYS A 81 52.357 -11.386 12.806 1.00 0.00 H ATOM 1331 HG2 LYS A 81 52.179 -13.716 14.739 1.00 0.00 H ATOM 1332 HG3 LYS A 81 52.258 -13.910 12.972 1.00 0.00 H ATOM 1333 HD2 LYS A 81 54.380 -12.505 12.999 1.00 0.00 H ATOM 1334 HD3 LYS A 81 54.330 -12.573 14.776 1.00 0.00 H ATOM 1335 HE2 LYS A 81 54.066 -15.204 13.287 1.00 0.00 H ATOM 1336 HE3 LYS A 81 54.875 -14.866 14.835 1.00 0.00 H ATOM 1337 HZ1 LYS A 81 55.863 -13.977 12.127 1.00 0.00 H ATOM 1338 HZ2 LYS A 81 56.636 -13.655 13.605 1.00 0.00 H ATOM 1339 HZ3 LYS A 81 56.524 -15.252 13.035 1.00 0.00 H ATOM 1340 H LYS A 81 50.091 -11.781 15.665 1.00 0.00 H ATOM 1341 N ASP A 82 50.625 -9.025 14.968 1.00 37.29 N ATOM 1342 CA ASP A 82 50.287 -7.623 14.768 1.00 36.67 C ATOM 1343 C ASP A 82 51.363 -6.676 15.303 1.00 36.46 C ATOM 1344 O ASP A 82 51.702 -6.716 16.478 1.00 36.19 O ATOM 1345 CB ASP A 82 48.959 -7.330 15.464 1.00 36.33 C ATOM 1346 CG ASP A 82 48.710 -5.855 15.640 1.00 38.63 C ATOM 1347 OD1 ASP A 82 48.662 -5.107 14.634 1.00 36.65 O ATOM 1348 OD2 ASP A 82 48.565 -5.445 16.797 1.00 40.63 O ATOM 1349 HA ASP A 82 50.212 -7.450 13.695 1.00 0.00 H ATOM 1350 HB2 ASP A 82 48.151 -7.752 14.866 1.00 0.00 H ATOM 1351 HB3 ASP A 82 48.968 -7.802 16.446 1.00 0.00 H ATOM 1352 H ASP A 82 49.946 -9.628 15.474 1.00 0.00 H ATOM 1353 N VAL A 83 51.880 -5.819 14.429 1.00 36.13 N ATOM 1354 CA VAL A 83 52.865 -4.793 14.791 1.00 35.89 C ATOM 1355 C VAL A 83 52.211 -3.466 15.220 1.00 36.00 C ATOM 1356 O VAL A 83 52.872 -2.591 15.791 1.00 35.57 O ATOM 1357 CB VAL A 83 53.841 -4.521 13.625 1.00 35.51 C ATOM 1358 CG1 VAL A 83 54.633 -5.804 13.262 1.00 35.76 C ATOM 1359 CG2 VAL A 83 53.090 -3.986 12.409 1.00 36.59 C ATOM 1360 HA VAL A 83 53.413 -5.193 15.645 1.00 0.00 H ATOM 1361 HB VAL A 83 54.554 -3.762 13.946 1.00 0.00 H ATOM 1362 HG11 VAL A 83 55.204 -6.135 14.130 1.00 0.00 H ATOM 1363 HG12 VAL A 83 53.936 -6.587 12.963 1.00 0.00 H ATOM 1364 HG13 VAL A 83 55.314 -5.588 12.439 1.00 0.00 H ATOM 1365 HG21 VAL A 83 52.351 -4.720 12.088 1.00 0.00 H ATOM 1366 HG22 VAL A 83 52.588 -3.056 12.674 1.00 0.00 H ATOM 1367 HG23 VAL A 83 53.796 -3.801 11.600 1.00 0.00 H ATOM 1368 H VAL A 83 51.571 -5.878 13.438 1.00 0.00 H ATOM 1369 N PHE A 84 50.919 -3.305 14.938 1.00 36.23 N ATOM 1370 CA PHE A 84 50.269 -2.015 15.198 1.00 36.58 C ATOM 1371 C PHE A 84 49.990 -1.715 16.679 1.00 36.90 C ATOM 1372 O PHE A 84 50.422 -0.681 17.166 1.00 37.92 O ATOM 1373 CB PHE A 84 49.050 -1.782 14.299 1.00 36.38 C ATOM 1374 CG PHE A 84 49.411 -1.413 12.871 1.00 36.58 C ATOM 1375 CD1 PHE A 84 49.939 -0.154 12.572 1.00 36.84 C ATOM 1376 CD2 PHE A 84 49.225 -2.328 11.835 1.00 36.54 C ATOM 1377 CE1 PHE A 84 50.261 0.198 11.251 1.00 37.73 C ATOM 1378 CE2 PHE A 84 49.552 -2.005 10.506 1.00 36.41 C ATOM 1379 CZ PHE A 84 50.071 -0.734 10.207 1.00 37.23 C ATOM 1380 HA PHE A 84 51.016 -1.272 14.918 1.00 0.00 H ATOM 1381 HB2 PHE A 84 48.456 -2.696 14.280 1.00 0.00 H ATOM 1382 HB3 PHE A 84 48.457 -0.973 14.725 1.00 0.00 H ATOM 1383 HD2 PHE A 84 48.818 -3.314 12.060 1.00 0.00 H ATOM 1384 HE2 PHE A 84 49.404 -2.737 9.712 1.00 0.00 H ATOM 1385 HZ PHE A 84 50.324 -0.470 9.180 1.00 0.00 H ATOM 1386 HE1 PHE A 84 50.657 1.190 11.032 1.00 0.00 H ATOM 1387 HD1 PHE A 84 50.103 0.565 13.375 1.00 0.00 H ATOM 1388 H PHE A 84 50.372 -4.092 14.534 1.00 0.00 H ATOM 1389 N ALA A 85 49.310 -2.612 17.388 1.00 37.18 N ATOM 1390 CA ALA A 85 49.008 -2.397 18.804 1.00 37.43 C ATOM 1391 C ALA A 85 50.270 -2.218 19.667 1.00 37.50 C ATOM 1392 O ALA A 85 50.326 -1.279 20.444 1.00 37.82 O ATOM 1393 CB ALA A 85 48.100 -3.506 19.360 1.00 37.49 C ATOM 1394 HA ALA A 85 48.462 -1.455 18.860 1.00 0.00 H ATOM 1395 HB1 ALA A 85 47.162 -3.519 18.804 1.00 0.00 H ATOM 1396 HB2 ALA A 85 48.599 -4.469 19.255 1.00 0.00 H ATOM 1397 HB3 ALA A 85 47.897 -3.313 20.413 1.00 0.00 H ATOM 1398 H ALA A 85 48.986 -3.485 16.926 1.00 0.00 H ATOM 1399 N PRO A 86 51.286 -3.114 19.539 1.00 37.13 N ATOM 1400 CA PRO A 86 52.550 -2.860 20.267 1.00 36.42 C ATOM 1401 C PRO A 86 53.215 -1.495 19.996 1.00 35.87 C ATOM 1402 O PRO A 86 53.716 -0.857 20.924 1.00 35.66 O ATOM 1403 CB PRO A 86 53.472 -4.016 19.821 1.00 36.61 C ATOM 1404 CG PRO A 86 52.538 -5.099 19.340 1.00 36.77 C ATOM 1405 CD PRO A 86 51.317 -4.390 18.799 1.00 36.84 C ATOM 1406 HA PRO A 86 52.355 -2.821 21.339 1.00 0.00 H ATOM 1407 HD3 PRO A 86 51.414 -4.214 17.728 1.00 0.00 H ATOM 1408 HD2 PRO A 86 50.415 -4.971 18.991 1.00 0.00 H ATOM 1409 HG3 PRO A 86 52.261 -5.754 20.166 1.00 0.00 H ATOM 1410 HG2 PRO A 86 53.013 -5.687 18.555 1.00 0.00 H ATOM 1411 HB2 PRO A 86 54.130 -3.692 19.015 1.00 0.00 H ATOM 1412 HB3 PRO A 86 54.073 -4.372 20.658 1.00 0.00 H ATOM 1413 N ARG A 87 53.255 -1.067 18.742 1.00 35.08 N ATOM 1414 CA ARG A 87 53.833 0.234 18.403 1.00 34.87 C ATOM 1415 C ARG A 87 52.980 1.427 18.925 1.00 35.00 C ATOM 1416 O ARG A 87 53.534 2.416 19.436 1.00 34.46 O ATOM 1417 CB ARG A 87 54.061 0.347 16.884 1.00 34.59 C ATOM 1418 CG ARG A 87 54.764 1.609 16.446 1.00 33.57 C ATOM 1419 CD ARG A 87 56.219 1.636 16.897 1.00 34.78 C ATOM 1420 NE ARG A 87 56.864 2.904 16.558 1.00 34.64 N ATOM 1421 CZ ARG A 87 58.154 3.175 16.763 1.00 35.05 C ATOM 1422 NH1 ARG A 87 58.974 2.264 17.280 1.00 34.72 N ATOM 1423 NH2 ARG A 87 58.627 4.365 16.433 1.00 35.96 N ATOM 1424 HA ARG A 87 54.796 0.294 18.911 1.00 0.00 H ATOM 1425 HB2 ARG A 87 54.662 -0.505 16.566 1.00 0.00 H ATOM 1426 HB3 ARG A 87 53.090 0.310 16.390 1.00 0.00 H ATOM 1427 HG2 ARG A 87 54.731 1.672 15.358 1.00 0.00 H ATOM 1428 HG3 ARG A 87 54.246 2.467 16.874 1.00 0.00 H ATOM 1429 HD2 ARG A 87 56.756 0.824 16.408 1.00 0.00 H ATOM 1430 HD3 ARG A 87 56.257 1.497 17.977 1.00 0.00 H ATOM 1431 HE ARG A 87 56.276 3.646 16.127 1.00 0.00 H ATOM 1432 HH12 ARG A 87 59.977 2.494 17.433 1.00 0.00 H ATOM 1433 HH11 ARG A 87 58.612 1.322 17.532 1.00 0.00 H ATOM 1434 HH22 ARG A 87 59.631 4.587 16.589 1.00 0.00 H ATOM 1435 HH21 ARG A 87 57.995 5.079 16.018 1.00 0.00 H ATOM 1436 H ARG A 87 52.869 -1.667 17.985 1.00 0.00 H ATOM 1437 N PHE A 88 51.657 1.334 18.771 1.00 35.34 N ATOM 1438 CA PHE A 88 50.728 2.308 19.370 1.00 36.17 C ATOM 1439 C PHE A 88 50.874 2.367 20.906 1.00 36.50 C ATOM 1440 O PHE A 88 50.595 3.408 21.524 1.00 36.95 O ATOM 1441 CB PHE A 88 49.257 2.020 18.995 1.00 36.27 C ATOM 1442 CG PHE A 88 48.815 2.608 17.654 1.00 37.43 C ATOM 1443 CD1 PHE A 88 48.805 3.988 17.432 1.00 36.41 C ATOM 1444 CD2 PHE A 88 48.379 1.772 16.623 1.00 38.66 C ATOM 1445 CE1 PHE A 88 48.401 4.517 16.207 1.00 38.25 C ATOM 1446 CE2 PHE A 88 47.966 2.290 15.383 1.00 39.15 C ATOM 1447 CZ PHE A 88 47.983 3.668 15.170 1.00 38.32 C ATOM 1448 HA PHE A 88 51.000 3.279 18.956 1.00 0.00 H ATOM 1449 HB2 PHE A 88 49.122 0.939 18.954 1.00 0.00 H ATOM 1450 HB3 PHE A 88 48.619 2.435 19.775 1.00 0.00 H ATOM 1451 HD2 PHE A 88 48.359 0.694 16.784 1.00 0.00 H ATOM 1452 HE2 PHE A 88 47.634 1.618 14.592 1.00 0.00 H ATOM 1453 HZ PHE A 88 47.675 4.081 14.209 1.00 0.00 H ATOM 1454 HE1 PHE A 88 48.410 5.596 16.053 1.00 0.00 H ATOM 1455 HD1 PHE A 88 49.118 4.662 18.230 1.00 0.00 H ATOM 1456 H PHE A 88 51.270 0.549 18.210 1.00 0.00 H ATOM 1457 N SER A 89 51.320 1.273 21.518 1.00 36.69 N ATOM 1458 CA SER A 89 51.437 1.206 22.982 1.00 36.89 C ATOM 1459 C SER A 89 52.504 2.112 23.572 1.00 36.88 C ATOM 1460 O SER A 89 52.335 2.611 24.690 1.00 37.47 O ATOM 1461 CB SER A 89 51.641 -0.239 23.466 1.00 36.60 C ATOM 1462 OG SER A 89 52.989 -0.650 23.358 1.00 34.48 O ATOM 1463 HA SER A 89 50.483 1.582 23.351 1.00 0.00 H ATOM 1464 HB2 SER A 89 51.021 -0.903 22.863 1.00 0.00 H ATOM 1465 HB3 SER A 89 51.335 -0.307 24.510 1.00 0.00 H ATOM 1466 HG SER A 89 53.274 -0.598 22.411 1.00 0.00 H ATOM 1467 H SER A 89 51.592 0.447 20.948 1.00 0.00 H ATOM 1468 N ASN A 90 53.589 2.330 22.831 1.00 36.86 N ATOM 1469 CA ASN A 90 54.673 3.212 23.257 1.00 36.68 C ATOM 1470 C ASN A 90 54.227 4.582 23.774 1.00 36.26 C ATOM 1471 O ASN A 90 54.615 4.993 24.865 1.00 36.05 O ATOM 1472 CB ASN A 90 55.656 3.411 22.106 1.00 37.00 C ATOM 1473 CG ASN A 90 56.410 2.140 21.758 1.00 38.91 C ATOM 1474 OD1 ASN A 90 56.202 1.095 22.375 1.00 40.67 O ATOM 1475 ND2 ASN A 90 57.290 2.223 20.761 1.00 39.89 N ATOM 1476 HA ASN A 90 55.139 2.708 24.104 1.00 0.00 H ATOM 1477 HB2 ASN A 90 55.103 3.741 21.227 1.00 0.00 H ATOM 1478 HB3 ASN A 90 56.376 4.178 22.390 1.00 0.00 H ATOM 1479 HD22 ASN A 90 57.433 3.127 20.268 1.00 0.00 H ATOM 1480 HD21 ASN A 90 57.834 1.384 20.476 1.00 0.00 H ATOM 1481 H ASN A 90 53.668 1.852 21.911 1.00 0.00 H ATOM 1482 N ASN A 91 53.401 5.271 22.996 1.00 35.79 N ATOM 1483 CA ASN A 91 53.009 6.650 23.299 1.00 35.94 C ATOM 1484 C ASN A 91 51.548 6.760 23.726 1.00 36.02 C ATOM 1485 O ASN A 91 51.019 7.865 23.871 1.00 35.25 O ATOM 1486 CB ASN A 91 53.279 7.550 22.088 1.00 36.03 C ATOM 1487 CG ASN A 91 54.766 7.736 21.824 1.00 36.69 C ATOM 1488 OD1 ASN A 91 55.575 7.580 22.726 1.00 38.45 O ATOM 1489 ND2 ASN A 91 55.129 8.079 20.593 1.00 37.53 N ATOM 1490 HA ASN A 91 53.614 6.982 24.143 1.00 0.00 H ATOM 1491 HB2 ASN A 91 52.820 7.100 21.208 1.00 0.00 H ATOM 1492 HB3 ASN A 91 52.831 8.527 22.270 1.00 0.00 H ATOM 1493 HD22 ASN A 91 54.408 8.202 19.853 1.00 0.00 H ATOM 1494 HD21 ASN A 91 56.134 8.225 20.369 1.00 0.00 H ATOM 1495 H ASN A 91 53.019 4.816 22.142 1.00 0.00 H ATOM 1496 N ILE A 92 50.908 5.613 23.958 1.00 35.70 N ATOM 1497 CA ILE A 92 49.446 5.573 24.087 1.00 36.12 C ATOM 1498 C ILE A 92 48.882 6.453 25.212 1.00 36.07 C ATOM 1499 O ILE A 92 47.815 7.029 25.069 1.00 35.71 O ATOM 1500 CB ILE A 92 48.913 4.137 24.184 1.00 36.34 C ATOM 1501 CG1 ILE A 92 47.426 4.118 23.817 1.00 38.46 C ATOM 1502 CG2 ILE A 92 49.271 3.492 25.570 1.00 36.89 C ATOM 1503 CD1 ILE A 92 46.916 2.784 23.256 1.00 43.09 C ATOM 1504 HA ILE A 92 49.078 6.012 23.160 1.00 0.00 H ATOM 1505 HB ILE A 92 49.409 3.494 23.457 1.00 0.00 H ATOM 1506 HG12 ILE A 92 46.852 4.350 24.714 1.00 0.00 H ATOM 1507 HG13 ILE A 92 47.252 4.890 23.067 1.00 0.00 H ATOM 1508 HD11 ILE A 92 47.467 2.539 22.348 1.00 0.00 H ATOM 1509 HD12 ILE A 92 47.067 1.999 23.997 1.00 0.00 H ATOM 1510 HD13 ILE A 92 45.854 2.870 23.027 1.00 0.00 H ATOM 1511 HG21 ILE A 92 50.354 3.471 25.691 1.00 0.00 H ATOM 1512 HG22 ILE A 92 48.827 4.084 26.370 1.00 0.00 H ATOM 1513 HG23 ILE A 92 48.880 2.475 25.608 1.00 0.00 H ATOM 1514 H ILE A 92 51.454 4.732 24.049 1.00 0.00 H ATOM 1515 N ILE A 93 49.627 6.597 26.302 1.00 36.56 N ATOM 1516 CA ILE A 93 49.183 7.452 27.401 1.00 37.17 C ATOM 1517 C ILE A 93 49.077 8.901 26.927 1.00 37.12 C ATOM 1518 O ILE A 93 48.060 9.541 27.133 1.00 37.53 O ATOM 1519 CB ILE A 93 50.098 7.359 28.635 1.00 37.11 C ATOM 1520 CG1 ILE A 93 50.246 5.900 29.119 1.00 37.00 C ATOM 1521 CG2 ILE A 93 49.612 8.324 29.741 1.00 37.89 C ATOM 1522 CD1 ILE A 93 49.045 5.298 29.760 1.00 38.31 C ATOM 1523 HA ILE A 93 48.201 7.093 27.709 1.00 0.00 H ATOM 1524 HB ILE A 93 51.101 7.680 28.355 1.00 0.00 H ATOM 1525 HG12 ILE A 93 50.506 5.287 28.256 1.00 0.00 H ATOM 1526 HG13 ILE A 93 51.061 5.870 29.843 1.00 0.00 H ATOM 1527 HD11 ILE A 93 48.773 5.882 30.639 1.00 0.00 H ATOM 1528 HD12 ILE A 93 48.217 5.299 29.051 1.00 0.00 H ATOM 1529 HD13 ILE A 93 49.269 4.274 30.058 1.00 0.00 H ATOM 1530 HG21 ILE A 93 49.628 9.346 29.363 1.00 0.00 H ATOM 1531 HG22 ILE A 93 48.595 8.059 30.032 1.00 0.00 H ATOM 1532 HG23 ILE A 93 50.271 8.245 30.606 1.00 0.00 H ATOM 1533 H ILE A 93 50.536 6.096 26.374 1.00 0.00 H ATOM 1534 N SER A 94 50.121 9.392 26.282 1.00 37.19 N ATOM 1535 CA SER A 94 50.125 10.730 25.694 1.00 37.83 C ATOM 1536 C SER A 94 49.012 10.872 24.643 1.00 38.21 C ATOM 1537 O SER A 94 48.323 11.898 24.579 1.00 39.50 O ATOM 1538 CB SER A 94 51.492 10.988 25.056 1.00 37.77 C ATOM 1539 OG SER A 94 51.832 12.361 25.094 1.00 39.31 O ATOM 1540 HA SER A 94 49.938 11.464 26.477 1.00 0.00 H ATOM 1541 HB2 SER A 94 51.466 10.658 24.017 1.00 0.00 H ATOM 1542 HB3 SER A 94 52.249 10.420 25.598 1.00 0.00 H ATOM 1543 HG SER A 94 52.719 12.492 24.674 1.00 0.00 H ATOM 1544 H SER A 94 50.973 8.803 26.189 1.00 0.00 H ATOM 1545 N THR A 95 48.811 9.832 23.846 1.00 37.57 N ATOM 1546 CA THR A 95 47.768 9.825 22.811 1.00 37.98 C ATOM 1547 C THR A 95 46.382 10.050 23.415 1.00 37.53 C ATOM 1548 O THR A 95 45.588 10.811 22.895 1.00 37.62 O ATOM 1549 CB THR A 95 47.780 8.489 22.040 1.00 37.37 C ATOM 1550 OG1 THR A 95 49.064 8.345 21.430 1.00 39.13 O ATOM 1551 CG2 THR A 95 46.700 8.459 20.971 1.00 36.98 C ATOM 1552 HA THR A 95 47.985 10.643 22.124 1.00 0.00 H ATOM 1553 HB THR A 95 47.582 7.671 22.732 1.00 0.00 H ATOM 1554 HG1 THR A 95 49.096 7.492 20.928 1.00 0.00 H ATOM 1555 HG23 THR A 95 45.723 8.569 21.441 1.00 0.00 H ATOM 1556 HG21 THR A 95 46.862 9.278 20.270 1.00 0.00 H ATOM 1557 HG22 THR A 95 46.744 7.509 20.439 1.00 0.00 H ATOM 1558 H THR A 95 49.413 8.991 23.957 1.00 0.00 H ATOM 1559 N PHE A 96 46.116 9.397 24.537 1.00 37.28 N ATOM 1560 CA PHE A 96 44.859 9.573 25.229 1.00 36.98 C ATOM 1561 C PHE A 96 44.729 10.914 25.918 1.00 36.88 C ATOM 1562 O PHE A 96 43.622 11.441 26.017 1.00 37.86 O ATOM 1563 CB PHE A 96 44.569 8.382 26.137 1.00 36.50 C ATOM 1564 CG PHE A 96 43.915 7.257 25.407 1.00 37.61 C ATOM 1565 CD1 PHE A 96 44.614 6.530 24.453 1.00 37.22 C ATOM 1566 CD2 PHE A 96 42.571 6.971 25.614 1.00 38.09 C ATOM 1567 CE1 PHE A 96 43.979 5.500 23.740 1.00 38.65 C ATOM 1568 CE2 PHE A 96 41.947 5.949 24.906 1.00 37.80 C ATOM 1569 CZ PHE A 96 42.660 5.216 23.972 1.00 35.99 C ATOM 1570 HA PHE A 96 44.074 9.595 24.473 1.00 0.00 H ATOM 1571 HB2 PHE A 96 45.509 8.026 26.559 1.00 0.00 H ATOM 1572 HB3 PHE A 96 43.910 8.707 26.942 1.00 0.00 H ATOM 1573 HD2 PHE A 96 42.000 7.553 26.338 1.00 0.00 H ATOM 1574 HE2 PHE A 96 40.896 5.725 25.087 1.00 0.00 H ATOM 1575 HZ PHE A 96 42.171 4.413 23.421 1.00 0.00 H ATOM 1576 HE1 PHE A 96 44.537 4.926 23.001 1.00 0.00 H ATOM 1577 HD1 PHE A 96 45.661 6.760 24.256 1.00 0.00 H ATOM 1578 H PHE A 96 46.826 8.745 24.928 1.00 0.00 H ATOM 1579 N GLN A 97 45.843 11.490 26.364 1.00 36.46 N ATOM 1580 CA GLN A 97 45.806 12.840 26.910 1.00 36.82 C ATOM 1581 C GLN A 97 45.235 13.799 25.851 1.00 36.32 C ATOM 1582 O GLN A 97 44.466 14.706 26.171 1.00 35.93 O ATOM 1583 CB GLN A 97 47.198 13.309 27.384 1.00 36.19 C ATOM 1584 CG GLN A 97 47.546 13.008 28.866 1.00 38.39 C ATOM 1585 CD GLN A 97 46.879 13.949 29.903 1.00 41.60 C ATOM 1586 OE1 GLN A 97 46.517 15.100 29.606 1.00 43.91 O ATOM 1587 NE2 GLN A 97 46.750 13.462 31.131 1.00 41.92 N ATOM 1588 HA GLN A 97 45.160 12.840 27.788 1.00 0.00 H ATOM 1589 HB2 GLN A 97 47.946 12.821 26.759 1.00 0.00 H ATOM 1590 HB3 GLN A 97 47.254 14.388 27.240 1.00 0.00 H ATOM 1591 HG2 GLN A 97 47.233 11.987 29.086 1.00 0.00 H ATOM 1592 HG3 GLN A 97 48.627 13.089 28.982 1.00 0.00 H ATOM 1593 HE22 GLN A 97 47.065 12.493 31.342 1.00 0.00 H ATOM 1594 HE21 GLN A 97 46.334 14.049 31.882 1.00 0.00 H ATOM 1595 H GLN A 97 46.745 10.973 26.322 1.00 0.00 H ATOM 1596 N ASN A 98 45.622 13.575 24.599 1.00 35.89 N ATOM 1597 CA ASN A 98 45.154 14.373 23.474 1.00 36.16 C ATOM 1598 C ASN A 98 43.713 14.036 23.101 1.00 36.68 C ATOM 1599 O ASN A 98 42.923 14.935 22.836 1.00 36.89 O ATOM 1600 CB ASN A 98 46.082 14.174 22.275 1.00 36.21 C ATOM 1601 CG ASN A 98 47.420 14.861 22.461 1.00 37.45 C ATOM 1602 OD1 ASN A 98 47.486 15.956 22.999 1.00 38.96 O ATOM 1603 ND2 ASN A 98 48.494 14.217 22.023 1.00 39.55 N ATOM 1604 HA ASN A 98 45.173 15.421 23.773 1.00 0.00 H ATOM 1605 HB2 ASN A 98 46.252 13.106 22.137 1.00 0.00 H ATOM 1606 HB3 ASN A 98 45.599 14.581 21.387 1.00 0.00 H ATOM 1607 HD22 ASN A 98 48.394 13.286 21.570 1.00 0.00 H ATOM 1608 HD21 ASN A 98 49.436 14.643 22.132 1.00 0.00 H ATOM 1609 H ASN A 98 46.287 12.797 24.415 1.00 0.00 H ATOM 1610 N LEU A 99 43.373 12.744 23.095 1.00 36.21 N ATOM 1611 CA LEU A 99 42.018 12.303 22.785 1.00 36.42 C ATOM 1612 C LEU A 99 40.972 12.929 23.695 1.00 36.80 C ATOM 1613 O LEU A 99 39.872 13.243 23.241 1.00 36.44 O ATOM 1614 CB LEU A 99 41.913 10.771 22.812 1.00 35.84 C ATOM 1615 CG LEU A 99 42.595 10.019 21.652 1.00 37.42 C ATOM 1616 CD1 LEU A 99 42.634 8.507 21.909 1.00 36.31 C ATOM 1617 CD2 LEU A 99 41.870 10.320 20.301 1.00 34.97 C ATOM 1618 HA LEU A 99 41.806 12.649 21.773 1.00 0.00 H ATOM 1619 HB2 LEU A 99 42.362 10.423 23.743 1.00 0.00 H ATOM 1620 HB3 LEU A 99 40.855 10.510 22.801 1.00 0.00 H ATOM 1621 HG LEU A 99 43.623 10.375 21.587 1.00 0.00 H ATOM 1622 HD21 LEU A 99 40.831 9.999 20.369 1.00 0.00 H ATOM 1623 HD22 LEU A 99 41.909 11.391 20.100 1.00 0.00 H ATOM 1624 HD23 LEU A 99 42.367 9.780 19.495 1.00 0.00 H ATOM 1625 HD11 LEU A 99 43.192 8.310 22.824 1.00 0.00 H ATOM 1626 HD12 LEU A 99 41.616 8.131 22.014 1.00 0.00 H ATOM 1627 HD13 LEU A 99 43.122 8.010 21.071 1.00 0.00 H ATOM 1628 H LEU A 99 44.097 12.031 23.318 1.00 0.00 H ATOM 1629 N TYR A 100 41.328 13.114 24.968 1.00 37.14 N ATOM 1630 CA TYR A 100 40.412 13.633 25.973 1.00 37.81 C ATOM 1631 C TYR A 100 40.229 15.155 25.928 1.00 38.07 C ATOM 1632 O TYR A 100 39.478 15.693 26.735 1.00 37.29 O ATOM 1633 CB TYR A 100 40.813 13.179 27.395 1.00 38.04 C ATOM 1634 CG TYR A 100 40.554 11.706 27.722 1.00 38.70 C ATOM 1635 CD1 TYR A 100 41.573 10.904 28.224 1.00 40.11 C ATOM 1636 CD2 TYR A 100 39.295 11.125 27.547 1.00 39.48 C ATOM 1637 CE1 TYR A 100 41.367 9.568 28.535 1.00 39.93 C ATOM 1638 CE2 TYR A 100 39.067 9.780 27.861 1.00 39.69 C ATOM 1639 CZ TYR A 100 40.114 9.011 28.351 1.00 40.99 C ATOM 1640 OH TYR A 100 39.933 7.682 28.666 1.00 41.86 O ATOM 1641 HA TYR A 100 39.443 13.202 25.721 1.00 0.00 H ATOM 1642 HB3 TYR A 100 40.254 13.784 28.109 1.00 0.00 H ATOM 1643 HB2 TYR A 100 41.880 13.367 27.518 1.00 0.00 H ATOM 1644 HD2 TYR A 100 38.476 11.730 27.159 1.00 0.00 H ATOM 1645 HE2 TYR A 100 38.079 9.341 27.722 1.00 0.00 H ATOM 1646 HE1 TYR A 100 42.186 8.962 28.921 1.00 0.00 H ATOM 1647 HD1 TYR A 100 42.561 11.337 28.377 1.00 0.00 H ATOM 1648 HH TYR A 100 40.786 7.303 28.997 1.00 0.00 H ATOM 1649 H TYR A 100 42.300 12.878 25.253 1.00 0.00 H ATOM 1650 N ARG A 101 40.912 15.837 25.007 1.00 39.01 N ATOM 1651 CA ARG A 101 40.572 17.224 24.653 1.00 41.27 C ATOM 1652 C ARG A 101 39.450 17.200 23.612 1.00 41.83 C ATOM 1653 O ARG A 101 39.559 17.801 22.547 1.00 42.78 O ATOM 1654 CB ARG A 101 41.783 17.988 24.099 1.00 41.49 C ATOM 1655 CG ARG A 101 42.983 18.050 25.041 1.00 45.08 C ATOM 1656 CD ARG A 101 44.286 18.326 24.287 1.00 50.52 C ATOM 1657 NE ARG A 101 44.572 19.753 24.138 1.00 54.36 N ATOM 1658 CZ ARG A 101 45.682 20.245 23.581 1.00 57.31 C ATOM 1659 NH1 ARG A 101 46.624 19.428 23.111 1.00 59.30 N ATOM 1660 NH2 ARG A 101 45.862 21.560 23.500 1.00 57.20 N ATOM 1661 HA ARG A 101 40.249 17.743 25.555 1.00 0.00 H ATOM 1662 HB2 ARG A 101 42.100 17.501 23.177 1.00 0.00 H ATOM 1663 HB3 ARG A 101 41.470 19.009 23.880 1.00 0.00 H ATOM 1664 HG2 ARG A 101 42.820 18.846 25.768 1.00 0.00 H ATOM 1665 HG3 ARG A 101 43.072 17.097 25.562 1.00 0.00 H ATOM 1666 HD2 ARG A 101 44.214 17.881 23.295 1.00 0.00 H ATOM 1667 HD3 ARG A 101 45.108 17.862 24.833 1.00 0.00 H ATOM 1668 HE ARG A 101 43.864 20.429 24.489 1.00 0.00 H ATOM 1669 HH12 ARG A 101 47.485 19.821 22.679 1.00 0.00 H ATOM 1670 HH11 ARG A 101 46.498 18.398 23.176 1.00 0.00 H ATOM 1671 HH22 ARG A 101 46.727 21.941 23.066 1.00 0.00 H ATOM 1672 HH21 ARG A 101 45.138 22.208 23.871 1.00 0.00 H ATOM 1673 H ARG A 101 41.709 15.374 24.525 1.00 0.00 H ATOM 1674 N CYS A 102 38.378 16.488 23.927 1.00 42.39 N ATOM 1675 CA CYS A 102 37.259 16.305 23.022 1.00 42.82 C ATOM 1676 C CYS A 102 36.018 16.863 23.702 1.00 43.03 C ATOM 1677 O CYS A 102 36.053 17.117 24.900 1.00 43.11 O ATOM 1678 CB CYS A 102 37.063 14.815 22.722 1.00 42.25 C ATOM 1679 SG CYS A 102 36.665 13.807 24.165 1.00 41.94 S ATOM 1680 HA CYS A 102 37.445 16.821 22.080 1.00 0.00 H ATOM 1681 HB2 CYS A 102 37.984 14.432 22.282 1.00 0.00 H ATOM 1682 HB3 CYS A 102 36.250 14.716 22.003 1.00 0.00 H ATOM 1683 HG CYS A 102 35.491 14.261 24.732 1.00 0.00 H ATOM 1684 H CYS A 102 38.337 16.040 24.865 1.00 0.00 H ATOM 1685 N PRO A 103 34.915 17.036 22.947 1.00 43.62 N ATOM 1686 CA PRO A 103 33.642 17.415 23.574 1.00 44.24 C ATOM 1687 C PRO A 103 33.255 16.414 24.667 1.00 44.55 C ATOM 1688 O PRO A 103 33.456 15.215 24.494 1.00 44.80 O ATOM 1689 CB PRO A 103 32.638 17.334 22.420 1.00 44.47 C ATOM 1690 CG PRO A 103 33.449 17.417 21.176 1.00 43.99 C ATOM 1691 CD PRO A 103 34.799 16.877 21.485 1.00 43.67 C ATOM 1692 HA PRO A 103 33.684 18.395 24.048 1.00 0.00 H ATOM 1693 HD3 PRO A 103 34.872 15.827 21.201 1.00 0.00 H ATOM 1694 HD2 PRO A 103 35.573 17.446 20.970 1.00 0.00 H ATOM 1695 HG3 PRO A 103 33.528 18.455 20.852 1.00 0.00 H ATOM 1696 HG2 PRO A 103 32.983 16.826 20.388 1.00 0.00 H ATOM 1697 HB2 PRO A 103 32.092 16.391 22.456 1.00 0.00 H ATOM 1698 HB3 PRO A 103 31.932 18.163 22.470 1.00 0.00 H ATOM 1699 N GLY A 104 32.727 16.904 25.783 1.00 44.85 N ATOM 1700 CA GLY A 104 32.287 16.040 26.887 1.00 45.45 C ATOM 1701 C GLY A 104 31.352 14.913 26.467 1.00 45.71 C ATOM 1702 O GLY A 104 31.449 13.790 26.981 1.00 46.02 O ATOM 1703 HA3 GLY A 104 31.769 16.659 27.619 1.00 0.00 H ATOM 1704 HA2 GLY A 104 33.170 15.597 27.347 1.00 0.00 H ATOM 1705 H GLY A 104 32.621 17.934 25.879 1.00 0.00 H ATOM 1706 N ASP A 105 30.458 15.210 25.523 1.00 45.67 N ATOM 1707 CA ASP A 105 29.563 14.210 24.933 1.00 46.10 C ATOM 1708 C ASP A 105 30.299 13.033 24.265 1.00 45.92 C ATOM 1709 O ASP A 105 29.691 12.000 23.976 1.00 46.68 O ATOM 1710 CB ASP A 105 28.647 14.878 23.901 1.00 46.23 C ATOM 1711 CG ASP A 105 27.415 15.515 24.523 1.00 47.46 C ATOM 1712 OD1 ASP A 105 27.533 16.196 25.569 1.00 48.29 O ATOM 1713 OD2 ASP A 105 26.318 15.339 23.947 1.00 47.88 O ATOM 1714 HA ASP A 105 28.987 13.795 25.760 1.00 0.00 H ATOM 1715 HB2 ASP A 105 29.214 15.651 23.382 1.00 0.00 H ATOM 1716 HB3 ASP A 105 28.324 14.124 23.184 1.00 0.00 H ATOM 1717 H ASP A 105 30.393 16.193 25.191 1.00 0.00 H ATOM 1718 N ASP A 106 31.597 13.194 24.023 1.00 45.35 N ATOM 1719 CA ASP A 106 32.399 12.217 23.272 1.00 44.63 C ATOM 1720 C ASP A 106 33.308 11.336 24.137 1.00 43.97 C ATOM 1721 O ASP A 106 33.904 10.385 23.638 1.00 43.95 O ATOM 1722 CB ASP A 106 33.249 12.947 22.236 1.00 44.82 C ATOM 1723 CG ASP A 106 32.483 13.288 20.968 1.00 46.74 C ATOM 1724 OD1 ASP A 106 31.227 13.299 20.968 1.00 48.44 O ATOM 1725 OD2 ASP A 106 33.160 13.565 19.952 1.00 49.02 O ATOM 1726 HA ASP A 106 31.682 11.543 22.802 1.00 0.00 H ATOM 1727 HB2 ASP A 106 33.617 13.873 22.679 1.00 0.00 H ATOM 1728 HB3 ASP A 106 34.094 12.312 21.971 1.00 0.00 H ATOM 1729 H ASP A 106 32.066 14.050 24.381 1.00 0.00 H ATOM 1730 N LYS A 107 33.407 11.649 25.426 1.00 43.06 N ATOM 1731 CA LYS A 107 34.195 10.862 26.375 1.00 42.62 C ATOM 1732 C LYS A 107 33.642 9.455 26.584 1.00 41.67 C ATOM 1733 O LYS A 107 34.401 8.509 26.778 1.00 40.89 O ATOM 1734 CB LYS A 107 34.319 11.598 27.719 1.00 43.17 C ATOM 1735 CG LYS A 107 35.140 10.872 28.800 1.00 45.68 C ATOM 1736 CD LYS A 107 34.218 10.132 29.812 1.00 49.09 C ATOM 1737 CE LYS A 107 34.901 9.891 31.176 1.00 48.78 C ATOM 1738 NZ LYS A 107 34.093 8.975 32.046 1.00 46.67 N ATOM 1739 HA LYS A 107 35.186 10.748 25.937 1.00 0.00 H ATOM 1740 HB2 LYS A 107 34.790 12.563 27.531 1.00 0.00 H ATOM 1741 HB3 LYS A 107 33.314 11.755 28.110 1.00 0.00 H ATOM 1742 HG2 LYS A 107 35.795 10.145 28.320 1.00 0.00 H ATOM 1743 HG3 LYS A 107 35.743 11.603 29.338 1.00 0.00 H ATOM 1744 HD2 LYS A 107 33.322 10.732 29.972 1.00 0.00 H ATOM 1745 HD3 LYS A 107 33.937 9.168 29.388 1.00 0.00 H ATOM 1746 HE2 LYS A 107 35.021 10.847 31.685 1.00 0.00 H ATOM 1747 HE3 LYS A 107 35.881 9.445 31.007 1.00 0.00 H ATOM 1748 HZ1 LYS A 107 33.158 9.397 32.217 1.00 0.00 H ATOM 1749 HZ2 LYS A 107 33.979 8.058 31.570 1.00 0.00 H ATOM 1750 HZ3 LYS A 107 34.584 8.837 32.953 1.00 0.00 H ATOM 1751 H LYS A 107 32.903 12.489 25.774 1.00 0.00 H ATOM 1752 N SER A 108 32.321 9.319 26.553 1.00 40.70 N ATOM 1753 CA SER A 108 31.707 8.015 26.709 1.00 40.49 C ATOM 1754 C SER A 108 32.129 7.073 25.571 1.00 39.94 C ATOM 1755 O SER A 108 32.223 5.870 25.763 1.00 39.66 O ATOM 1756 CB SER A 108 30.178 8.144 26.814 1.00 40.94 C ATOM 1757 OG SER A 108 29.637 8.733 25.639 1.00 41.37 O ATOM 1758 HA SER A 108 32.060 7.573 27.641 1.00 0.00 H ATOM 1759 HB2 SER A 108 29.930 8.768 27.673 1.00 0.00 H ATOM 1760 HB3 SER A 108 29.744 7.153 26.949 1.00 0.00 H ATOM 1761 HG SER A 108 28.654 8.805 25.730 1.00 0.00 H ATOM 1762 H SER A 108 31.721 10.157 26.415 1.00 0.00 H ATOM 1763 N LYS A 109 32.427 7.643 24.406 1.00 39.65 N ATOM 1764 CA LYS A 109 32.835 6.873 23.232 1.00 39.80 C ATOM 1765 C LYS A 109 34.262 6.338 23.372 1.00 39.22 C ATOM 1766 O LYS A 109 34.546 5.192 23.011 1.00 38.68 O ATOM 1767 CB LYS A 109 32.690 7.719 21.966 1.00 39.80 C ATOM 1768 CG LYS A 109 31.257 8.143 21.687 1.00 42.36 C ATOM 1769 CD LYS A 109 31.187 9.109 20.524 1.00 45.90 C ATOM 1770 CE LYS A 109 29.753 9.500 20.223 1.00 48.77 C ATOM 1771 NZ LYS A 109 29.554 9.668 18.739 1.00 51.31 N ATOM 1772 HA LYS A 109 32.174 6.010 23.153 1.00 0.00 H ATOM 1773 HB2 LYS A 109 33.301 8.615 22.076 1.00 0.00 H ATOM 1774 HB3 LYS A 109 33.050 7.137 21.118 1.00 0.00 H ATOM 1775 HG2 LYS A 109 30.664 7.259 21.451 1.00 0.00 H ATOM 1776 HG3 LYS A 109 30.850 8.626 22.575 1.00 0.00 H ATOM 1777 HD2 LYS A 109 31.756 10.005 20.771 1.00 0.00 H ATOM 1778 HD3 LYS A 109 31.620 8.637 19.642 1.00 0.00 H ATOM 1779 HE2 LYS A 109 29.524 10.440 20.725 1.00 0.00 H ATOM 1780 HE3 LYS A 109 29.084 8.722 20.589 1.00 0.00 H ATOM 1781 HZ1 LYS A 109 30.189 10.413 18.387 1.00 0.00 H ATOM 1782 HZ2 LYS A 109 29.769 8.771 18.258 1.00 0.00 H ATOM 1783 HZ3 LYS A 109 28.567 9.936 18.551 1.00 0.00 H ATOM 1784 H LYS A 109 32.367 8.678 24.327 1.00 0.00 H ATOM 1785 N ILE A 110 35.143 7.181 23.900 1.00 38.83 N ATOM 1786 CA ILE A 110 36.504 6.802 24.233 1.00 39.19 C ATOM 1787 C ILE A 110 36.534 5.640 25.253 1.00 38.58 C ATOM 1788 O ILE A 110 37.200 4.634 25.029 1.00 38.42 O ATOM 1789 CB ILE A 110 37.310 8.023 24.751 1.00 39.31 C ATOM 1790 CG1 ILE A 110 37.276 9.156 23.712 1.00 39.99 C ATOM 1791 CG2 ILE A 110 38.771 7.641 25.039 1.00 39.17 C ATOM 1792 CD1 ILE A 110 37.859 10.468 24.226 1.00 39.76 C ATOM 1793 HA ILE A 110 36.981 6.447 23.319 1.00 0.00 H ATOM 1794 HB ILE A 110 36.848 8.360 25.679 1.00 0.00 H ATOM 1795 HG12 ILE A 110 37.848 8.842 22.839 1.00 0.00 H ATOM 1796 HG13 ILE A 110 36.239 9.328 23.422 1.00 0.00 H ATOM 1797 HD11 ILE A 110 37.290 10.802 25.094 1.00 0.00 H ATOM 1798 HD12 ILE A 110 38.900 10.315 24.510 1.00 0.00 H ATOM 1799 HD13 ILE A 110 37.802 11.222 23.441 1.00 0.00 H ATOM 1800 HG21 ILE A 110 38.798 6.858 25.797 1.00 0.00 H ATOM 1801 HG22 ILE A 110 39.238 7.278 24.123 1.00 0.00 H ATOM 1802 HG23 ILE A 110 39.310 8.517 25.400 1.00 0.00 H ATOM 1803 H ILE A 110 34.843 8.160 24.084 1.00 0.00 H ATOM 1804 N VAL A 111 35.793 5.782 26.346 1.00 38.45 N ATOM 1805 CA VAL A 111 35.726 4.757 27.394 1.00 38.43 C ATOM 1806 C VAL A 111 35.146 3.454 26.850 1.00 38.65 C ATOM 1807 O VAL A 111 35.582 2.358 27.225 1.00 38.97 O ATOM 1808 CB VAL A 111 34.917 5.249 28.612 1.00 38.57 C ATOM 1809 CG1 VAL A 111 34.831 4.183 29.692 1.00 39.06 C ATOM 1810 CG2 VAL A 111 35.531 6.535 29.187 1.00 37.26 C ATOM 1811 HA VAL A 111 36.745 4.563 27.728 1.00 0.00 H ATOM 1812 HB VAL A 111 33.905 5.463 28.268 1.00 0.00 H ATOM 1813 HG11 VAL A 111 34.342 3.297 29.288 1.00 0.00 H ATOM 1814 HG12 VAL A 111 35.836 3.924 30.026 1.00 0.00 H ATOM 1815 HG13 VAL A 111 34.254 4.566 30.534 1.00 0.00 H ATOM 1816 HG21 VAL A 111 36.556 6.338 29.500 1.00 0.00 H ATOM 1817 HG22 VAL A 111 35.526 7.312 28.422 1.00 0.00 H ATOM 1818 HG23 VAL A 111 34.945 6.864 30.045 1.00 0.00 H ATOM 1819 H VAL A 111 35.238 6.654 26.464 1.00 0.00 H ATOM 1820 N ARG A 112 34.167 3.570 25.957 1.00 38.22 N ATOM 1821 CA ARG A 112 33.586 2.397 25.336 1.00 37.87 C ATOM 1822 C ARG A 112 34.623 1.587 24.543 1.00 37.21 C ATOM 1823 O ARG A 112 34.646 0.359 24.657 1.00 37.38 O ATOM 1824 CB ARG A 112 32.408 2.781 24.451 1.00 37.98 C ATOM 1825 CG ARG A 112 31.674 1.585 23.922 1.00 39.00 C ATOM 1826 CD ARG A 112 30.583 1.964 22.967 1.00 41.54 C ATOM 1827 NE ARG A 112 29.950 0.753 22.459 1.00 44.57 N ATOM 1828 CZ ARG A 112 29.603 0.555 21.192 1.00 43.96 C ATOM 1829 NH1 ARG A 112 29.818 1.493 20.282 1.00 43.90 N ATOM 1830 NH2 ARG A 112 29.041 -0.591 20.844 1.00 45.29 N ATOM 1831 HA ARG A 112 33.223 1.755 26.139 1.00 0.00 H ATOM 1832 HB2 ARG A 112 31.715 3.387 25.034 1.00 0.00 H ATOM 1833 HB3 ARG A 112 32.779 3.365 23.609 1.00 0.00 H ATOM 1834 HG2 ARG A 112 32.383 0.938 23.406 1.00 0.00 H ATOM 1835 HG3 ARG A 112 31.234 1.044 24.760 1.00 0.00 H ATOM 1836 HD2 ARG A 112 31.005 2.531 22.137 1.00 0.00 H ATOM 1837 HD3 ARG A 112 29.842 2.574 23.483 1.00 0.00 H ATOM 1838 HE ARG A 112 29.756 -0.011 23.137 1.00 0.00 H ATOM 1839 HH12 ARG A 112 29.543 1.330 19.292 1.00 0.00 H ATOM 1840 HH11 ARG A 112 30.261 2.393 20.557 1.00 0.00 H ATOM 1841 HH22 ARG A 112 28.766 -0.756 19.855 1.00 0.00 H ATOM 1842 HH21 ARG A 112 28.875 -1.327 21.560 1.00 0.00 H ATOM 1843 H ARG A 112 33.814 4.514 25.701 1.00 0.00 H ATOM 1844 N VAL A 113 35.460 2.269 23.752 1.00 36.48 N ATOM 1845 CA VAL A 113 36.552 1.623 23.002 1.00 35.89 C ATOM 1846 C VAL A 113 37.573 0.968 23.978 1.00 35.83 C ATOM 1847 O VAL A 113 37.982 -0.183 23.790 1.00 35.55 O ATOM 1848 CB VAL A 113 37.265 2.616 22.027 1.00 36.28 C ATOM 1849 CG1 VAL A 113 38.514 1.996 21.426 1.00 36.09 C ATOM 1850 CG2 VAL A 113 36.345 3.070 20.884 1.00 35.03 C ATOM 1851 HA VAL A 113 36.107 0.840 22.388 1.00 0.00 H ATOM 1852 HB VAL A 113 37.535 3.485 22.627 1.00 0.00 H ATOM 1853 HG11 VAL A 113 39.208 1.734 22.224 1.00 0.00 H ATOM 1854 HG12 VAL A 113 38.241 1.099 20.871 1.00 0.00 H ATOM 1855 HG13 VAL A 113 38.986 2.712 20.753 1.00 0.00 H ATOM 1856 HG21 VAL A 113 36.026 2.201 20.309 1.00 0.00 H ATOM 1857 HG22 VAL A 113 35.472 3.572 21.300 1.00 0.00 H ATOM 1858 HG23 VAL A 113 36.887 3.758 20.235 1.00 0.00 H ATOM 1859 H VAL A 113 35.335 3.298 23.663 1.00 0.00 H ATOM 1860 N LEU A 114 37.967 1.696 25.024 1.00 34.78 N ATOM 1861 CA LEU A 114 38.861 1.130 26.044 1.00 34.25 C ATOM 1862 C LEU A 114 38.310 -0.156 26.630 1.00 34.23 C ATOM 1863 O LEU A 114 39.042 -1.139 26.729 1.00 34.34 O ATOM 1864 CB LEU A 114 39.128 2.106 27.176 1.00 33.82 C ATOM 1865 CG LEU A 114 39.999 3.306 26.827 1.00 32.08 C ATOM 1866 CD1 LEU A 114 40.044 4.244 28.011 1.00 30.82 C ATOM 1867 CD2 LEU A 114 41.378 2.796 26.458 1.00 31.46 C ATOM 1868 HA LEU A 114 39.798 0.918 25.529 1.00 0.00 H ATOM 1869 HB2 LEU A 114 38.167 2.481 27.528 1.00 0.00 H ATOM 1870 HB3 LEU A 114 39.619 1.559 27.980 1.00 0.00 H ATOM 1871 HG LEU A 114 39.594 3.860 25.980 1.00 0.00 H ATOM 1872 HD21 LEU A 114 41.803 2.256 27.304 1.00 0.00 H ATOM 1873 HD22 LEU A 114 41.299 2.127 25.601 1.00 0.00 H ATOM 1874 HD23 LEU A 114 42.020 3.639 26.204 1.00 0.00 H ATOM 1875 HD11 LEU A 114 39.034 4.579 28.246 1.00 0.00 H ATOM 1876 HD12 LEU A 114 40.464 3.722 28.871 1.00 0.00 H ATOM 1877 HD13 LEU A 114 40.666 5.105 27.767 1.00 0.00 H ATOM 1878 H LEU A 114 37.637 2.678 25.119 1.00 0.00 H ATOM 1879 N ASN A 115 37.031 -0.131 27.009 1.00 33.46 N ATOM 1880 CA ASN A 115 36.303 -1.308 27.495 1.00 33.47 C ATOM 1881 C ASN A 115 36.327 -2.490 26.517 1.00 32.96 C ATOM 1882 O ASN A 115 36.552 -3.639 26.906 1.00 32.51 O ATOM 1883 CB ASN A 115 34.869 -0.914 27.844 1.00 32.88 C ATOM 1884 CG ASN A 115 34.716 -0.476 29.288 1.00 35.10 C ATOM 1885 OD1 ASN A 115 34.548 -1.308 30.170 1.00 38.90 O ATOM 1886 ND2 ASN A 115 34.757 0.824 29.534 1.00 35.57 N ATOM 1887 HA ASN A 115 36.819 -1.658 28.389 1.00 0.00 H ATOM 1888 HB2 ASN A 115 34.566 -0.092 27.196 1.00 0.00 H ATOM 1889 HB3 ASN A 115 34.219 -1.771 27.669 1.00 0.00 H ATOM 1890 HD22 ASN A 115 34.902 1.497 28.754 1.00 0.00 H ATOM 1891 HD21 ASN A 115 34.644 1.173 30.507 1.00 0.00 H ATOM 1892 H ASN A 115 36.521 0.774 26.957 1.00 0.00 H ATOM 1893 N LEU A 116 36.102 -2.199 25.243 1.00 33.08 N ATOM 1894 CA LEU A 116 36.123 -3.224 24.187 1.00 33.45 C ATOM 1895 C LEU A 116 37.522 -3.804 23.974 1.00 33.57 C ATOM 1896 O LEU A 116 37.688 -5.014 23.808 1.00 33.61 O ATOM 1897 CB LEU A 116 35.585 -2.642 22.873 1.00 33.28 C ATOM 1898 CG LEU A 116 34.060 -2.538 22.820 1.00 33.63 C ATOM 1899 CD1 LEU A 116 33.639 -1.602 21.701 1.00 34.49 C ATOM 1900 CD2 LEU A 116 33.432 -3.935 22.642 1.00 33.17 C ATOM 1901 HA LEU A 116 35.478 -4.040 24.513 1.00 0.00 H ATOM 1902 HB2 LEU A 116 36.002 -1.643 22.743 1.00 0.00 H ATOM 1903 HB3 LEU A 116 35.914 -3.281 22.054 1.00 0.00 H ATOM 1904 HG LEU A 116 33.700 -2.126 23.763 1.00 0.00 H ATOM 1905 HD21 LEU A 116 33.791 -4.378 21.713 1.00 0.00 H ATOM 1906 HD22 LEU A 116 33.716 -4.569 23.482 1.00 0.00 H ATOM 1907 HD23 LEU A 116 32.347 -3.842 22.606 1.00 0.00 H ATOM 1908 HD11 LEU A 116 34.060 -0.612 21.879 1.00 0.00 H ATOM 1909 HD12 LEU A 116 34.005 -1.988 20.749 1.00 0.00 H ATOM 1910 HD13 LEU A 116 32.551 -1.536 21.674 1.00 0.00 H ATOM 1911 H LEU A 116 35.904 -1.212 24.981 1.00 0.00 H ATOM 1912 N TRP A 117 38.511 -2.919 23.967 1.00 33.35 N ATOM 1913 CA TRP A 117 39.932 -3.281 23.923 1.00 33.95 C ATOM 1914 C TRP A 117 40.341 -4.225 25.057 1.00 34.08 C ATOM 1915 O TRP A 117 41.077 -5.190 24.834 1.00 34.75 O ATOM 1916 CB TRP A 117 40.771 -2.005 24.006 1.00 33.70 C ATOM 1917 CG TRP A 117 40.893 -1.263 22.740 1.00 33.87 C ATOM 1918 CD1 TRP A 117 40.287 -1.556 21.553 1.00 33.96 C ATOM 1919 CD2 TRP A 117 41.643 -0.053 22.523 1.00 33.63 C ATOM 1920 NE1 TRP A 117 40.641 -0.632 20.603 1.00 34.23 N ATOM 1921 CE2 TRP A 117 41.479 0.297 21.166 1.00 33.52 C ATOM 1922 CE3 TRP A 117 42.466 0.743 23.340 1.00 34.21 C ATOM 1923 CZ2 TRP A 117 42.087 1.428 20.596 1.00 34.14 C ATOM 1924 CZ3 TRP A 117 43.065 1.867 22.792 1.00 33.22 C ATOM 1925 CH2 TRP A 117 42.878 2.198 21.421 1.00 35.71 C ATOM 1926 HA TRP A 117 40.106 -3.809 22.985 1.00 0.00 H ATOM 1927 HB2 TRP A 117 40.314 -1.345 24.743 1.00 0.00 H ATOM 1928 HB3 TRP A 117 41.773 -2.278 24.337 1.00 0.00 H ATOM 1929 HE1 TRP A 117 40.324 -0.635 19.612 1.00 0.00 H ATOM 1930 HD1 TRP A 117 39.619 -2.401 21.384 1.00 0.00 H ATOM 1931 HZ2 TRP A 117 41.940 1.685 19.547 1.00 0.00 H ATOM 1932 HH2 TRP A 117 43.372 3.081 21.014 1.00 0.00 H ATOM 1933 HZ3 TRP A 117 43.687 2.505 23.420 1.00 0.00 H ATOM 1934 HE3 TRP A 117 42.630 0.481 24.385 1.00 0.00 H ATOM 1935 H TRP A 117 38.264 -1.909 23.994 1.00 0.00 H ATOM 1936 N GLN A 118 39.886 -3.939 26.276 1.00 33.88 N ATOM 1937 CA GLN A 118 40.125 -4.831 27.413 1.00 33.54 C ATOM 1938 C GLN A 118 39.432 -6.192 27.231 1.00 33.95 C ATOM 1939 O GLN A 118 40.037 -7.263 27.458 1.00 33.63 O ATOM 1940 CB GLN A 118 39.655 -4.188 28.727 1.00 33.01 C ATOM 1941 CG GLN A 118 40.313 -4.845 29.966 1.00 33.00 C ATOM 1942 CD GLN A 118 39.665 -4.496 31.302 1.00 33.50 C ATOM 1943 OE1 GLN A 118 38.498 -4.096 31.379 1.00 32.60 O ATOM 1944 NE2 GLN A 118 40.435 -4.662 32.371 1.00 33.73 N ATOM 1945 HA GLN A 118 41.201 -4.998 27.459 1.00 0.00 H ATOM 1946 HB2 GLN A 118 39.913 -3.129 28.712 1.00 0.00 H ATOM 1947 HB3 GLN A 118 38.573 -4.296 28.804 1.00 0.00 H ATOM 1948 HG2 GLN A 118 40.267 -5.927 29.840 1.00 0.00 H ATOM 1949 HG3 GLN A 118 41.356 -4.529 30.003 1.00 0.00 H ATOM 1950 HE22 GLN A 118 41.412 -5.001 32.261 1.00 0.00 H ATOM 1951 HE21 GLN A 118 40.061 -4.453 33.319 1.00 0.00 H ATOM 1952 H GLN A 118 39.348 -3.061 26.424 1.00 0.00 H ATOM 1953 N LYS A 119 38.157 -6.158 26.853 1.00 34.50 N ATOM 1954 CA LYS A 119 37.389 -7.402 26.703 1.00 36.11 C ATOM 1955 C LYS A 119 38.025 -8.292 25.637 1.00 36.83 C ATOM 1956 O LYS A 119 38.146 -9.503 25.818 1.00 37.48 O ATOM 1957 CB LYS A 119 35.909 -7.122 26.392 1.00 35.84 C ATOM 1958 CG LYS A 119 35.092 -8.357 26.056 1.00 37.45 C ATOM 1959 CD LYS A 119 35.081 -8.633 24.560 1.00 39.04 C ATOM 1960 CE LYS A 119 34.855 -10.097 24.248 1.00 41.17 C ATOM 1961 NZ LYS A 119 34.919 -10.318 22.764 1.00 41.59 N ATOM 1962 HA LYS A 119 37.417 -7.933 27.654 1.00 0.00 H ATOM 1963 HB2 LYS A 119 35.462 -6.644 27.264 1.00 0.00 H ATOM 1964 HB3 LYS A 119 35.862 -6.441 25.542 1.00 0.00 H ATOM 1965 HG2 LYS A 119 35.521 -9.216 26.571 1.00 0.00 H ATOM 1966 HG3 LYS A 119 34.067 -8.206 26.396 1.00 0.00 H ATOM 1967 HD2 LYS A 119 34.283 -8.049 24.101 1.00 0.00 H ATOM 1968 HD3 LYS A 119 36.040 -8.329 24.140 1.00 0.00 H ATOM 1969 HE2 LYS A 119 33.875 -10.399 24.617 1.00 0.00 H ATOM 1970 HE3 LYS A 119 35.625 -10.694 24.736 1.00 0.00 H ATOM 1971 HZ1 LYS A 119 34.183 -9.749 22.298 1.00 0.00 H ATOM 1972 HZ2 LYS A 119 35.855 -10.032 22.412 1.00 0.00 H ATOM 1973 HZ3 LYS A 119 34.763 -11.325 22.558 1.00 0.00 H ATOM 1974 H LYS A 119 37.700 -5.244 26.662 1.00 0.00 H ATOM 1975 N ASN A 120 38.457 -7.674 24.544 1.00 38.06 N ATOM 1976 CA ASN A 120 39.046 -8.384 23.419 1.00 39.34 C ATOM 1977 C ASN A 120 40.549 -8.580 23.511 1.00 40.00 C ATOM 1978 O ASN A 120 41.171 -9.089 22.579 1.00 39.75 O ATOM 1979 CB ASN A 120 38.674 -7.669 22.116 1.00 39.10 C ATOM 1980 CG ASN A 120 37.207 -7.812 21.794 1.00 40.09 C ATOM 1981 OD1 ASN A 120 36.680 -8.924 21.772 1.00 42.80 O ATOM 1982 ND2 ASN A 120 36.530 -6.695 21.563 1.00 39.69 N ATOM 1983 HA ASN A 120 38.629 -9.391 23.439 1.00 0.00 H ATOM 1984 HB2 ASN A 120 38.912 -6.610 22.215 1.00 0.00 H ATOM 1985 HB3 ASN A 120 39.257 -8.096 21.300 1.00 0.00 H ATOM 1986 HD22 ASN A 120 37.017 -5.776 21.592 1.00 0.00 H ATOM 1987 HD21 ASN A 120 35.512 -6.738 21.353 1.00 0.00 H ATOM 1988 H ASN A 120 38.371 -6.639 24.490 1.00 0.00 H ATOM 1989 N ASN A 121 41.127 -8.159 24.636 1.00 41.30 N ATOM 1990 CA ASN A 121 42.565 -8.284 24.888 1.00 42.02 C ATOM 1991 C ASN A 121 43.407 -7.680 23.757 1.00 42.42 C ATOM 1992 O ASN A 121 44.484 -8.182 23.422 1.00 42.40 O ATOM 1993 CB ASN A 121 42.940 -9.745 25.186 1.00 42.15 C ATOM 1994 CG ASN A 121 42.554 -10.166 26.595 1.00 43.79 C ATOM 1995 OD1 ASN A 121 43.069 -9.625 27.576 1.00 44.25 O ATOM 1996 ND2 ASN A 121 41.644 -11.143 26.706 1.00 45.69 N ATOM 1997 HA ASN A 121 42.799 -7.699 25.777 1.00 0.00 H ATOM 1998 HB2 ASN A 121 42.426 -10.391 24.474 1.00 0.00 H ATOM 1999 HB3 ASN A 121 44.017 -9.861 25.068 1.00 0.00 H ATOM 2000 HD22 ASN A 121 41.235 -11.572 25.852 1.00 0.00 H ATOM 2001 HD21 ASN A 121 41.347 -11.472 27.647 1.00 0.00 H ATOM 2002 H ASN A 121 40.531 -7.722 25.368 1.00 0.00 H ATOM 2003 N VAL A 122 42.903 -6.580 23.199 1.00 42.46 N ATOM 2004 CA VAL A 122 43.611 -5.821 22.179 1.00 43.48 C ATOM 2005 C VAL A 122 44.952 -5.288 22.694 1.00 44.18 C ATOM 2006 O VAL A 122 45.940 -5.275 21.966 1.00 44.45 O ATOM 2007 CB VAL A 122 42.739 -4.683 21.603 1.00 42.78 C ATOM 2008 CG1 VAL A 122 43.530 -3.858 20.634 1.00 43.74 C ATOM 2009 CG2 VAL A 122 41.530 -5.250 20.908 1.00 42.26 C ATOM 2010 HA VAL A 122 43.827 -6.512 21.364 1.00 0.00 H ATOM 2011 HB VAL A 122 42.414 -4.051 22.429 1.00 0.00 H ATOM 2012 HG11 VAL A 122 44.389 -3.424 21.145 1.00 0.00 H ATOM 2013 HG12 VAL A 122 43.874 -4.491 19.816 1.00 0.00 H ATOM 2014 HG13 VAL A 122 42.900 -3.061 20.238 1.00 0.00 H ATOM 2015 HG21 VAL A 122 41.852 -5.899 20.094 1.00 0.00 H ATOM 2016 HG22 VAL A 122 40.939 -5.825 21.621 1.00 0.00 H ATOM 2017 HG23 VAL A 122 40.927 -4.435 20.508 1.00 0.00 H ATOM 2018 H VAL A 122 41.965 -6.250 23.505 1.00 0.00 H ATOM 2019 N PHE A 123 44.976 -4.849 23.946 1.00 45.21 N ATOM 2020 CA PHE A 123 46.201 -4.381 24.579 1.00 46.07 C ATOM 2021 C PHE A 123 46.283 -5.134 25.883 1.00 47.03 C ATOM 2022 O PHE A 123 45.248 -5.442 26.472 1.00 47.69 O ATOM 2023 CB PHE A 123 46.140 -2.873 24.865 1.00 45.56 C ATOM 2024 CG PHE A 123 46.251 -2.010 23.643 1.00 45.71 C ATOM 2025 CD1 PHE A 123 47.489 -1.547 23.215 1.00 46.39 C ATOM 2026 CD2 PHE A 123 45.119 -1.640 22.927 1.00 45.81 C ATOM 2027 CE1 PHE A 123 47.595 -0.733 22.089 1.00 44.94 C ATOM 2028 CE2 PHE A 123 45.212 -0.838 21.785 1.00 44.37 C ATOM 2029 CZ PHE A 123 46.459 -0.384 21.367 1.00 45.30 C ATOM 2030 HA PHE A 123 47.064 -4.549 23.935 1.00 0.00 H ATOM 2031 HB2 PHE A 123 45.190 -2.655 25.352 1.00 0.00 H ATOM 2032 HB3 PHE A 123 46.959 -2.619 25.539 1.00 0.00 H ATOM 2033 HD2 PHE A 123 44.140 -1.981 23.262 1.00 0.00 H ATOM 2034 HE2 PHE A 123 44.315 -0.571 21.227 1.00 0.00 H ATOM 2035 HZ PHE A 123 46.545 0.242 20.479 1.00 0.00 H ATOM 2036 HE1 PHE A 123 48.572 -0.368 21.773 1.00 0.00 H ATOM 2037 HD1 PHE A 123 48.388 -1.824 23.766 1.00 0.00 H ATOM 2038 H PHE A 123 44.091 -4.839 24.493 1.00 0.00 H ATOM 2039 N LYS A 124 47.491 -5.425 26.357 1.00 48.06 N ATOM 2040 CA LYS A 124 47.608 -6.120 27.636 1.00 49.35 C ATOM 2041 C LYS A 124 47.179 -5.180 28.765 1.00 49.70 C ATOM 2042 O LYS A 124 47.212 -3.957 28.591 1.00 49.19 O ATOM 2043 CB LYS A 124 49.014 -6.691 27.836 1.00 49.67 C ATOM 2044 CG LYS A 124 49.057 -7.870 28.814 1.00 51.14 C ATOM 2045 CD LYS A 124 50.132 -8.872 28.421 1.00 53.17 C ATOM 2046 CE LYS A 124 50.637 -9.644 29.620 1.00 54.01 C ATOM 2047 NZ LYS A 124 51.552 -8.803 30.446 1.00 55.86 N ATOM 2048 HA LYS A 124 46.939 -6.980 27.645 1.00 0.00 H ATOM 2049 HB2 LYS A 124 49.391 -7.028 26.871 1.00 0.00 H ATOM 2050 HB3 LYS A 124 49.658 -5.899 28.220 1.00 0.00 H ATOM 2051 HG2 LYS A 124 49.269 -7.494 29.815 1.00 0.00 H ATOM 2052 HG3 LYS A 124 48.088 -8.369 28.813 1.00 0.00 H ATOM 2053 HD2 LYS A 124 49.715 -9.573 27.698 1.00 0.00 H ATOM 2054 HD3 LYS A 124 50.966 -8.337 27.967 1.00 0.00 H ATOM 2055 HE2 LYS A 124 51.176 -10.527 29.276 1.00 0.00 H ATOM 2056 HE3 LYS A 124 49.788 -9.953 30.230 1.00 0.00 H ATOM 2057 HZ1 LYS A 124 52.366 -8.509 29.869 1.00 0.00 H ATOM 2058 HZ2 LYS A 124 51.040 -7.961 30.780 1.00 0.00 H ATOM 2059 HZ3 LYS A 124 51.885 -9.354 31.262 1.00 0.00 H ATOM 2060 H LYS A 124 48.343 -5.160 25.823 1.00 0.00 H ATOM 2061 N SER A 125 46.760 -5.744 29.899 1.00 50.19 N ATOM 2062 CA SER A 125 46.080 -4.975 30.949 1.00 50.84 C ATOM 2063 C SER A 125 46.951 -3.900 31.607 1.00 50.93 C ATOM 2064 O SER A 125 46.433 -2.959 32.228 1.00 51.04 O ATOM 2065 CB SER A 125 45.497 -5.910 32.004 1.00 51.44 C ATOM 2066 OG SER A 125 44.817 -5.184 33.028 1.00 53.24 O ATOM 2067 HA SER A 125 45.276 -4.437 30.447 1.00 0.00 H ATOM 2068 HB2 SER A 125 46.306 -6.485 32.455 1.00 0.00 H ATOM 2069 HB3 SER A 125 44.793 -6.590 31.525 1.00 0.00 H ATOM 2070 HG SER A 125 45.452 -4.568 33.471 1.00 0.00 H ATOM 2071 H SER A 125 46.920 -6.761 30.044 1.00 0.00 H ATOM 2072 N GLU A 126 48.267 -4.037 31.462 1.00 50.64 N ATOM 2073 CA GLU A 126 49.209 -3.041 31.973 1.00 50.63 C ATOM 2074 C GLU A 126 49.123 -1.732 31.166 1.00 49.79 C ATOM 2075 O GLU A 126 49.541 -0.677 31.635 1.00 49.65 O ATOM 2076 CB GLU A 126 50.634 -3.614 31.987 1.00 51.15 C ATOM 2077 CG GLU A 126 51.168 -4.004 30.603 1.00 53.06 C ATOM 2078 CD GLU A 126 51.539 -5.480 30.481 1.00 56.18 C ATOM 2079 OE1 GLU A 126 51.103 -6.297 31.326 1.00 57.20 O ATOM 2080 OE2 GLU A 126 52.255 -5.828 29.512 1.00 58.37 O ATOM 2081 HA GLU A 126 48.938 -2.799 33.001 1.00 0.00 H ATOM 2082 HB2 GLU A 126 51.300 -2.863 32.412 1.00 0.00 H ATOM 2083 HB3 GLU A 126 50.639 -4.502 32.619 1.00 0.00 H ATOM 2084 HG2 GLU A 126 50.401 -3.780 29.862 1.00 0.00 H ATOM 2085 HG3 GLU A 126 52.057 -3.407 30.396 1.00 0.00 H ATOM 2086 H GLU A 126 48.636 -4.876 30.971 1.00 0.00 H ATOM 2087 N ILE A 127 48.573 -1.832 29.957 1.00 48.86 N ATOM 2088 CA ILE A 127 48.275 -0.686 29.093 1.00 48.08 C ATOM 2089 C ILE A 127 46.850 -0.174 29.367 1.00 47.02 C ATOM 2090 O ILE A 127 46.633 0.985 29.720 1.00 46.40 O ATOM 2091 CB ILE A 127 48.361 -1.078 27.587 1.00 48.19 C ATOM 2092 CG1 ILE A 127 49.690 -1.778 27.234 1.00 48.87 C ATOM 2093 CG2 ILE A 127 48.079 0.118 26.687 1.00 49.38 C ATOM 2094 CD1 ILE A 127 50.969 -1.003 27.604 1.00 49.74 C ATOM 2095 HA ILE A 127 49.012 0.087 29.312 1.00 0.00 H ATOM 2096 HB ILE A 127 47.578 -1.813 27.402 1.00 0.00 H ATOM 2097 HG12 ILE A 127 49.714 -2.735 27.756 1.00 0.00 H ATOM 2098 HG13 ILE A 127 49.702 -1.952 26.158 1.00 0.00 H ATOM 2099 HD11 ILE A 127 50.977 -0.047 27.081 1.00 0.00 H ATOM 2100 HD12 ILE A 127 50.989 -0.830 28.680 1.00 0.00 H ATOM 2101 HD13 ILE A 127 51.843 -1.586 27.312 1.00 0.00 H ATOM 2102 HG21 ILE A 127 47.077 0.496 26.891 1.00 0.00 H ATOM 2103 HG22 ILE A 127 48.812 0.901 26.885 1.00 0.00 H ATOM 2104 HG23 ILE A 127 48.147 -0.190 25.644 1.00 0.00 H ATOM 2105 H ILE A 127 48.341 -2.782 29.604 1.00 0.00 H ATOM 2106 N ILE A 128 45.881 -1.065 29.209 1.00 46.10 N ATOM 2107 CA ILE A 128 44.477 -0.699 29.259 1.00 45.13 C ATOM 2108 C ILE A 128 44.052 -0.090 30.588 1.00 43.82 C ATOM 2109 O ILE A 128 43.371 0.932 30.602 1.00 43.51 O ATOM 2110 CB ILE A 128 43.565 -1.895 28.816 1.00 45.59 C ATOM 2111 CG1 ILE A 128 43.400 -1.886 27.312 1.00 45.68 C ATOM 2112 CG2 ILE A 128 42.190 -1.807 29.427 1.00 46.53 C ATOM 2113 CD1 ILE A 128 42.810 -0.597 26.777 1.00 48.11 C ATOM 2114 HA ILE A 128 44.338 0.103 28.534 1.00 0.00 H ATOM 2115 HB ILE A 128 44.051 -2.810 29.155 1.00 0.00 H ATOM 2116 HG12 ILE A 128 44.379 -2.033 26.856 1.00 0.00 H ATOM 2117 HG13 ILE A 128 42.743 -2.709 27.032 1.00 0.00 H ATOM 2118 HD11 ILE A 128 41.824 -0.441 27.215 1.00 0.00 H ATOM 2119 HD12 ILE A 128 43.462 0.236 27.040 1.00 0.00 H ATOM 2120 HD13 ILE A 128 42.721 -0.662 25.693 1.00 0.00 H ATOM 2121 HG21 ILE A 128 42.275 -1.825 30.514 1.00 0.00 H ATOM 2122 HG22 ILE A 128 41.713 -0.878 29.114 1.00 0.00 H ATOM 2123 HG23 ILE A 128 41.591 -2.655 29.094 1.00 0.00 H ATOM 2124 H ILE A 128 46.135 -2.060 29.044 1.00 0.00 H ATOM 2125 N GLN A 129 44.474 -0.687 31.704 1.00 43.17 N ATOM 2126 CA GLN A 129 43.998 -0.221 32.997 1.00 42.29 C ATOM 2127 C GLN A 129 44.363 1.239 33.309 1.00 41.64 C ATOM 2128 O GLN A 129 43.496 1.991 33.761 1.00 41.31 O ATOM 2129 CB GLN A 129 44.421 -1.163 34.125 1.00 43.04 C ATOM 2130 CG GLN A 129 43.311 -1.407 35.153 1.00 43.85 C ATOM 2131 CD GLN A 129 42.179 -2.292 34.609 1.00 43.83 C ATOM 2132 OE1 GLN A 129 42.339 -2.995 33.600 1.00 43.68 O ATOM 2133 NE2 GLN A 129 41.028 -2.261 35.286 1.00 45.95 N ATOM 2134 HA GLN A 129 42.910 -0.239 32.930 1.00 0.00 H ATOM 2135 HB2 GLN A 129 44.707 -2.120 33.689 1.00 0.00 H ATOM 2136 HB3 GLN A 129 45.279 -0.728 34.637 1.00 0.00 H ATOM 2137 HG2 GLN A 129 43.745 -1.894 36.026 1.00 0.00 H ATOM 2138 HG3 GLN A 129 42.891 -0.445 35.447 1.00 0.00 H ATOM 2139 HE22 GLN A 129 40.936 -1.657 36.128 1.00 0.00 H ATOM 2140 HE21 GLN A 129 40.224 -2.841 34.971 1.00 0.00 H ATOM 2141 H GLN A 129 45.141 -1.483 31.650 1.00 0.00 H ATOM 2142 N PRO A 130 45.640 1.649 33.089 1.00 40.81 N ATOM 2143 CA PRO A 130 45.991 3.074 33.224 1.00 40.20 C ATOM 2144 C PRO A 130 45.116 3.983 32.373 1.00 39.03 C ATOM 2145 O PRO A 130 44.687 5.037 32.829 1.00 39.33 O ATOM 2146 CB PRO A 130 47.437 3.123 32.730 1.00 40.13 C ATOM 2147 CG PRO A 130 47.968 1.790 33.089 1.00 41.31 C ATOM 2148 CD PRO A 130 46.835 0.844 32.774 1.00 40.92 C ATOM 2149 HA PRO A 130 45.852 3.428 34.245 1.00 0.00 H ATOM 2150 HD3 PRO A 130 46.847 0.553 31.724 1.00 0.00 H ATOM 2151 HD2 PRO A 130 46.883 -0.048 33.398 1.00 0.00 H ATOM 2152 HG3 PRO A 130 48.225 1.748 34.148 1.00 0.00 H ATOM 2153 HG2 PRO A 130 48.849 1.551 32.493 1.00 0.00 H ATOM 2154 HB2 PRO A 130 47.476 3.281 31.652 1.00 0.00 H ATOM 2155 HB3 PRO A 130 47.994 3.913 33.233 1.00 0.00 H ATOM 2156 N LEU A 131 44.836 3.565 31.147 1.00 38.45 N ATOM 2157 CA LEU A 131 43.974 4.339 30.274 1.00 37.46 C ATOM 2158 C LEU A 131 42.580 4.432 30.864 1.00 37.92 C ATOM 2159 O LEU A 131 41.983 5.512 30.846 1.00 38.27 O ATOM 2160 CB LEU A 131 43.946 3.741 28.876 1.00 36.71 C ATOM 2161 CG LEU A 131 45.270 3.725 28.100 1.00 35.05 C ATOM 2162 CD1 LEU A 131 45.088 2.995 26.791 1.00 33.54 C ATOM 2163 CD2 LEU A 131 45.822 5.139 27.875 1.00 32.58 C ATOM 2164 HA LEU A 131 44.375 5.349 30.190 1.00 0.00 H ATOM 2165 HB2 LEU A 131 43.604 2.710 28.966 1.00 0.00 H ATOM 2166 HB3 LEU A 131 43.227 4.311 28.288 1.00 0.00 H ATOM 2167 HG LEU A 131 46.008 3.194 28.701 1.00 0.00 H ATOM 2168 HD21 LEU A 131 45.100 5.723 27.305 1.00 0.00 H ATOM 2169 HD22 LEU A 131 45.998 5.617 28.839 1.00 0.00 H ATOM 2170 HD23 LEU A 131 46.759 5.078 27.322 1.00 0.00 H ATOM 2171 HD11 LEU A 131 44.773 1.970 26.989 1.00 0.00 H ATOM 2172 HD12 LEU A 131 44.328 3.502 26.197 1.00 0.00 H ATOM 2173 HD13 LEU A 131 46.032 2.988 26.246 1.00 0.00 H ATOM 2174 H LEU A 131 45.240 2.669 30.806 1.00 0.00 H ATOM 2175 N LEU A 132 42.085 3.311 31.410 1.00 37.87 N ATOM 2176 CA LEU A 132 40.778 3.275 32.075 1.00 38.22 C ATOM 2177 C LEU A 132 40.796 4.145 33.325 1.00 38.17 C ATOM 2178 O LEU A 132 39.885 4.945 33.538 1.00 37.98 O ATOM 2179 CB LEU A 132 40.349 1.836 32.401 1.00 37.91 C ATOM 2180 CG LEU A 132 39.824 1.001 31.219 1.00 38.99 C ATOM 2181 CD1 LEU A 132 39.878 -0.458 31.546 1.00 40.96 C ATOM 2182 CD2 LEU A 132 38.416 1.399 30.849 1.00 38.43 C ATOM 2183 HA LEU A 132 40.037 3.680 31.386 1.00 0.00 H ATOM 2184 HB2 LEU A 132 41.212 1.317 32.818 1.00 0.00 H ATOM 2185 HB3 LEU A 132 39.559 1.885 33.151 1.00 0.00 H ATOM 2186 HG LEU A 132 40.467 1.197 30.361 1.00 0.00 H ATOM 2187 HD21 LEU A 132 37.759 1.242 31.704 1.00 0.00 H ATOM 2188 HD22 LEU A 132 38.400 2.451 30.565 1.00 0.00 H ATOM 2189 HD23 LEU A 132 38.076 0.790 30.011 1.00 0.00 H ATOM 2190 HD11 LEU A 132 40.909 -0.745 31.754 1.00 0.00 H ATOM 2191 HD12 LEU A 132 39.261 -0.656 32.423 1.00 0.00 H ATOM 2192 HD13 LEU A 132 39.503 -1.033 30.699 1.00 0.00 H ATOM 2193 H LEU A 132 42.647 2.437 31.360 1.00 0.00 H ATOM 2194 N ASP A 133 41.850 4.006 34.130 1.00 38.49 N ATOM 2195 CA ASP A 133 42.085 4.910 35.274 1.00 39.23 C ATOM 2196 C ASP A 133 42.026 6.377 34.869 1.00 38.92 C ATOM 2197 O ASP A 133 41.466 7.197 35.589 1.00 38.37 O ATOM 2198 CB ASP A 133 43.426 4.610 35.962 1.00 39.49 C ATOM 2199 CG ASP A 133 43.471 3.221 36.584 1.00 41.09 C ATOM 2200 OD1 ASP A 133 42.390 2.669 36.880 1.00 42.85 O ATOM 2201 OD2 ASP A 133 44.584 2.676 36.774 1.00 43.12 O ATOM 2202 HA ASP A 133 41.278 4.724 35.983 1.00 0.00 H ATOM 2203 HB2 ASP A 133 44.223 4.687 35.222 1.00 0.00 H ATOM 2204 HB3 ASP A 133 43.588 5.349 36.747 1.00 0.00 H ATOM 2205 H ASP A 133 42.527 3.238 33.947 1.00 0.00 H ATOM 2206 N MET A 134 42.580 6.697 33.699 1.00 39.00 N ATOM 2207 CA MET A 134 42.637 8.085 33.229 1.00 39.41 C ATOM 2208 C MET A 134 41.256 8.678 32.952 1.00 39.70 C ATOM 2209 O MET A 134 40.989 9.834 33.293 1.00 39.67 O ATOM 2210 CB MET A 134 43.514 8.170 31.980 1.00 39.72 C ATOM 2211 CG MET A 134 44.616 9.193 32.028 1.00 39.03 C ATOM 2212 SD MET A 134 45.670 8.978 30.567 1.00 39.08 S ATOM 2213 CE MET A 134 44.991 10.213 29.467 1.00 39.78 C ATOM 2214 HA MET A 134 43.073 8.680 34.031 1.00 0.00 H ATOM 2215 HB2 MET A 134 43.970 7.193 31.823 1.00 0.00 H ATOM 2216 HB3 MET A 134 42.870 8.409 31.134 1.00 0.00 H ATOM 2217 HG2 MET A 134 45.208 9.053 32.932 1.00 0.00 H ATOM 2218 HG3 MET A 134 44.187 10.195 32.028 1.00 0.00 H ATOM 2219 HE1 MET A 134 43.940 9.993 29.281 1.00 0.00 H ATOM 2220 HE2 MET A 134 45.082 11.197 29.927 1.00 0.00 H ATOM 2221 HE3 MET A 134 45.539 10.199 28.525 1.00 0.00 H ATOM 2222 H MET A 134 42.982 5.944 33.105 1.00 0.00 H ATOM 2223 N ALA A 135 40.386 7.878 32.333 1.00 40.34 N ATOM 2224 CA ALA A 135 38.986 8.259 32.100 1.00 41.31 C ATOM 2225 C ALA A 135 38.217 8.503 33.391 1.00 41.58 C ATOM 2226 O ALA A 135 37.564 9.548 33.548 1.00 41.89 O ATOM 2227 CB ALA A 135 38.279 7.203 31.260 1.00 41.50 C ATOM 2228 HA ALA A 135 39.006 9.204 31.557 1.00 0.00 H ATOM 2229 HB1 ALA A 135 38.785 7.106 30.299 1.00 0.00 H ATOM 2230 HB2 ALA A 135 38.304 6.247 31.784 1.00 0.00 H ATOM 2231 HB3 ALA A 135 37.244 7.503 31.098 1.00 0.00 H ATOM 2232 H ALA A 135 40.712 6.947 32.002 1.00 0.00 H ATOM 2233 N ALA A 136 38.303 7.547 34.320 1.00 42.20 N ATOM 2234 CA ALA A 136 37.696 7.694 35.654 1.00 42.59 C ATOM 2235 C ALA A 136 38.109 9.005 36.328 1.00 43.19 C ATOM 2236 O ALA A 136 37.274 9.704 36.907 1.00 42.88 O ATOM 2237 CB ALA A 136 38.054 6.507 36.542 1.00 42.40 C ATOM 2238 HA ALA A 136 36.615 7.720 35.516 1.00 0.00 H ATOM 2239 HB1 ALA A 136 37.685 5.589 36.085 1.00 0.00 H ATOM 2240 HB2 ALA A 136 39.137 6.450 36.651 1.00 0.00 H ATOM 2241 HB3 ALA A 136 37.595 6.637 37.522 1.00 0.00 H ATOM 2242 H ALA A 136 38.815 6.670 34.094 1.00 0.00 H ATOM 2243 N ALA A 137 39.395 9.349 36.230 1.00 44.14 N ATOM 2244 CA ALA A 137 39.923 10.521 36.935 1.00 44.94 C ATOM 2245 C ALA A 137 39.404 11.852 36.389 1.00 45.69 C ATOM 2246 O ALA A 137 39.394 12.845 37.103 1.00 45.64 O ATOM 2247 CB ALA A 137 41.454 10.495 36.967 1.00 44.75 C ATOM 2248 HA ALA A 137 39.548 10.454 37.956 1.00 0.00 H ATOM 2249 HB1 ALA A 137 41.790 9.595 37.481 1.00 0.00 H ATOM 2250 HB2 ALA A 137 41.838 10.497 35.947 1.00 0.00 H ATOM 2251 HB3 ALA A 137 41.820 11.375 37.496 1.00 0.00 H ATOM 2252 H ALA A 137 40.034 8.775 35.643 1.00 0.00 H ATOM 2253 N LEU A 138 38.942 11.862 35.142 1.00 47.29 N ATOM 2254 CA LEU A 138 38.489 13.101 34.489 1.00 48.80 C ATOM 2255 C LEU A 138 37.130 13.645 34.938 1.00 50.09 C ATOM 2256 O LEU A 138 36.976 14.857 35.115 1.00 50.42 O ATOM 2257 CB LEU A 138 38.505 12.945 32.967 1.00 48.82 C ATOM 2258 CG LEU A 138 39.859 13.022 32.258 1.00 48.32 C ATOM 2259 CD1 LEU A 138 39.597 12.915 30.799 1.00 47.53 C ATOM 2260 CD2 LEU A 138 40.592 14.335 32.561 1.00 49.19 C ATOM 2261 HA LEU A 138 39.212 13.848 34.816 1.00 0.00 H ATOM 2262 HB2 LEU A 138 38.070 11.973 32.735 1.00 0.00 H ATOM 2263 HB3 LEU A 138 37.875 13.732 32.552 1.00 0.00 H ATOM 2264 HG LEU A 138 40.501 12.215 32.611 1.00 0.00 H ATOM 2265 HD21 LEU A 138 39.983 15.175 32.226 1.00 0.00 H ATOM 2266 HD22 LEU A 138 40.764 14.414 33.634 1.00 0.00 H ATOM 2267 HD23 LEU A 138 41.548 14.345 32.037 1.00 0.00 H ATOM 2268 HD11 LEU A 138 39.106 11.965 30.588 1.00 0.00 H ATOM 2269 HD12 LEU A 138 38.952 13.736 30.486 1.00 0.00 H ATOM 2270 HD13 LEU A 138 40.541 12.966 30.257 1.00 0.00 H ATOM 2271 H LEU A 138 38.900 10.968 34.612 1.00 0.00 H ATOM 2272 N GLU A 139 36.148 12.761 35.107 1.00 51.56 N ATOM 2273 CA GLU A 139 34.813 13.163 35.558 1.00 53.00 C ATOM 2274 C GLU A 139 34.837 13.699 36.982 1.00 53.63 C ATOM 2275 O GLU A 139 34.006 14.537 37.355 1.00 54.01 O ATOM 2276 CB GLU A 139 33.828 11.997 35.437 1.00 53.35 C ATOM 2277 CG GLU A 139 33.285 11.780 34.018 1.00 54.10 C ATOM 2278 CD GLU A 139 31.881 12.356 33.808 1.00 56.32 C ATOM 2279 OE1 GLU A 139 31.271 12.877 34.778 1.00 56.43 O ATOM 2280 OE2 GLU A 139 31.382 12.272 32.659 1.00 56.77 O ATOM 2281 HA GLU A 139 34.478 13.972 34.909 1.00 0.00 H ATOM 2282 HB2 GLU A 139 34.336 11.086 35.753 1.00 0.00 H ATOM 2283 HB3 GLU A 139 32.985 12.190 36.101 1.00 0.00 H ATOM 2284 HG2 GLU A 139 33.964 12.258 33.311 1.00 0.00 H ATOM 2285 HG3 GLU A 139 33.252 10.709 33.821 1.00 0.00 H ATOM 2286 H GLU A 139 36.334 11.756 34.913 1.00 0.00 H ATOM 2287 N HIS A 140 35.801 13.214 37.763 1.00 54.39 N ATOM 2288 CA HIS A 140 36.034 13.676 39.131 1.00 54.90 C ATOM 2289 C HIS A 140 36.462 15.141 39.191 1.00 55.08 C ATOM 2290 O HIS A 140 36.025 15.882 40.078 1.00 55.26 O ATOM 2291 CB HIS A 140 37.090 12.803 39.820 1.00 55.08 C ATOM 2292 CG HIS A 140 36.578 11.466 40.261 1.00 56.29 C ATOM 2293 ND1 HIS A 140 36.386 10.416 39.388 1.00 57.61 N ATOM 2294 CD2 HIS A 140 36.222 11.007 41.485 1.00 57.42 C ATOM 2295 CE1 HIS A 140 35.930 9.368 40.053 1.00 57.76 C ATOM 2296 NE2 HIS A 140 35.821 9.701 41.328 1.00 57.61 N ATOM 2297 HA HIS A 140 35.083 13.589 39.656 1.00 0.00 H ATOM 2298 HB2 HIS A 140 37.912 12.643 39.122 1.00 0.00 H ATOM 2299 HB3 HIS A 140 37.458 13.336 40.697 1.00 0.00 H ATOM 2300 HD2 HIS A 140 36.248 11.568 42.419 1.00 0.00 H ATOM 2301 HE1 HIS A 140 35.686 8.396 39.624 1.00 0.00 H ATOM 2302 H HIS A 140 36.419 12.470 37.381 1.00 0.00 H ATOM 2303 N HIS A 141 37.314 15.554 38.252 1.00 55.17 N ATOM 2304 CA HIS A 141 37.878 16.907 38.272 1.00 55.24 C ATOM 2305 C HIS A 141 36.921 17.939 37.674 1.00 55.21 C ATOM 2306 O HIS A 141 36.668 18.988 38.279 1.00 54.98 O ATOM 2307 CB HIS A 141 39.241 16.954 37.563 1.00 55.31 C ATOM 2308 CG HIS A 141 40.246 15.978 38.102 1.00 55.46 C ATOM 2309 ND1 HIS A 141 40.869 15.036 37.309 1.00 55.04 N ATOM 2310 CD2 HIS A 141 40.733 15.796 39.354 1.00 55.14 C ATOM 2311 CE1 HIS A 141 41.696 14.318 38.050 1.00 54.89 C ATOM 2312 NE2 HIS A 141 41.629 14.755 39.294 1.00 54.34 N ATOM 2313 HA HIS A 141 38.028 17.170 39.319 1.00 0.00 H ATOM 2314 HB2 HIS A 141 39.085 16.737 36.506 1.00 0.00 H ATOM 2315 HB3 HIS A 141 39.648 17.959 37.670 1.00 0.00 H ATOM 2316 HD2 HIS A 141 40.464 16.368 40.242 1.00 0.00 H ATOM 2317 HE1 HIS A 141 42.326 13.503 37.694 1.00 0.00 H ATOM 2318 H HIS A 141 37.584 14.902 37.488 1.00 0.00 H TER 2319 HIS A 141 HETATM 2320 O HOH 1 32.338 10.726 16.228 1.00 44.28 O HETATM 2321 O HOH 2 52.668 5.622 26.764 1.00 28.51 O HETATM 2322 O HOH 3 35.738 13.845 19.234 1.00 30.73 O HETATM 2323 O HOH 4 49.802 5.847 20.456 1.00 28.44 O HETATM 2324 O HOH 5 56.132 5.259 15.609 1.00 32.95 O HETATM 2325 O HOH 6 42.269 -7.069 31.701 1.00 41.59 O HETATM 2326 O HOH 7 53.346 5.016 19.876 1.00 29.52 O HETATM 2327 O HOH 8 32.867 4.253 21.025 1.00 29.05 O HETATM 2328 O HOH 9 49.259 3.497 1.810 1.00 32.23 O HETATM 2329 O HOH 10 41.310 19.049 12.550 1.00 45.90 O HETATM 2330 O HOH 11 48.716 12.143 20.165 1.00 26.84 O HETATM 2331 O HOH 12 51.027 10.430 21.236 1.00 36.56 O HETATM 2332 O HOH 13 48.258 -6.850 18.933 1.00 41.16 O HETATM 2333 O HOH 14 43.033 2.755 0.555 1.00 45.30 O HETATM 2334 O HOH 15 53.686 -2.737 2.958 1.00 37.90 O HETATM 2335 O HOH 16 37.102 -2.277 19.687 1.00 35.79 O HETATM 2336 O HOH 17 37.856 -4.485 20.609 1.00 44.92 O HETATM 2337 O HOH 18 39.200 -6.879 18.802 1.00 43.84 O HETATM 2338 O HOH 19 41.572 -7.610 18.123 1.00 41.28 O HETATM 2339 O HOH 20 56.094 5.042 18.826 1.00 39.24 O HETATM 2340 O HOH 21 55.200 7.170 17.243 1.00 36.52 O HETATM 2341 O HOH 22 28.189 12.357 9.542 1.00 48.12 O HETATM 2342 O HOH 23 58.826 -1.030 17.403 1.00 50.06 O HETATM 2343 O HOH 24 48.430 -6.435 21.572 1.00 42.54 O HETATM 2344 O HOH 25 37.906 -2.569 9.947 1.00 53.16 O HETATM 2345 O HOH 26 44.757 -4.819 2.985 1.00 33.12 O HETATM 2346 O HOH 27 38.380 -3.975 11.993 1.00 48.37 O HETATM 2347 N TYR A 28 31.267 4.464 11.534 1.00 0.24 N HETATM 2348 CA TYR A 28 32.152 3.451 12.159 1.00 0.07 C HETATM 2349 C TYR A 28 31.677 3.075 13.549 1.00 0.23 C HETATM 2350 O TYR A 28 31.212 3.922 14.328 1.00 -0.39 O HETATM 2351 N TYR A 28 31.774 1.781 13.819 1.00 -0.26 N HETATM 2352 CA TYR A 28 31.498 1.210 15.108 1.00 0.16 C HETATM 2353 CB TYR A 28 30.253 0.344 15.057 1.00 0.12 C HETATM 2354 OG TYR A 28 30.201 -0.473 16.205 1.00 -0.27 O HETATM 2355 P TYR A 28 28.877 -0.199 17.106 1.00 0.20 P HETATM 2356 O1P TYR A 28 28.929 -1.284 18.296 1.00 -0.55 O HETATM 2357 O2P TYR A 28 28.882 1.278 17.713 1.00 -0.55 O HETATM 2358 O3P TYR A 28 27.547 -0.427 16.221 1.00 -0.55 O HETATM 2359 H14 TYR A 28 30.283 -0.289 14.158 1.00 0.07 H HETATM 2360 H15 TYR A 28 29.361 0.986 15.024 1.00 0.07 H HETATM 2361 C TYR A 28 32.692 0.355 15.496 1.00 0.21 C HETATM 2362 O TYR A 28 33.202 -0.413 14.667 1.00 -0.39 O HETATM 2363 N TYR A 28 33.143 0.486 16.759 1.00 -0.25 N HETATM 2364 CA TYR A 28 34.266 -0.293 17.278 1.00 0.13 C HETATM 2365 C TYR A 28 33.966 -1.790 17.476 1.00 0.20 C HETATM 2366 O TYR A 28 34.846 -2.547 17.895 1.00 -0.39 O HETATM 2367 N TYR A 28 32.742 -2.212 17.165 1.00 -0.26 N HETATM 2368 CA TYR A 28 32.406 -3.635 17.159 1.00 0.16 C HETATM 2369 C TYR A 28 32.214 -4.185 15.750 1.00 0.21 C HETATM 2370 O TYR A 28 31.905 -5.360 15.594 1.00 -0.39 O HETATM 2371 N TYR A 28 32.394 -3.349 14.729 1.00 -0.26 N HETATM 2372 CA TYR A 28 32.126 -3.774 13.357 1.00 0.15 C HETATM 2373 C TYR A 28 33.093 -4.880 12.946 1.00 0.21 C HETATM 2374 O TYR A 28 34.262 -4.849 13.337 1.00 -0.39 O HETATM 2375 N TYR A 28 32.608 -5.873 12.170 1.00 -0.25 N HETATM 2376 CA TYR A 28 33.502 -6.959 11.752 1.00 0.13 C HETATM 2377 C TYR A 28 34.705 -6.475 10.932 1.00 0.20 C HETATM 2378 O TYR A 28 34.588 -5.526 10.137 1.00 -0.39 O HETATM 2379 N TYR A 28 35.857 -7.105 11.157 1.00 -0.26 N HETATM 2380 CA TYR A 28 37.049 -6.853 10.342 1.00 0.15 C HETATM 2381 C TYR A 28 36.892 -7.473 8.945 1.00 0.21 C HETATM 2382 O TYR A 28 36.142 -8.451 8.787 1.00 -0.39 O HETATM 2383 N TYR A 28 37.560 -6.904 7.936 1.00 -0.26 N HETATM 2384 CA TYR A 28 37.452 -7.451 6.571 1.00 0.14 C HETATM 2385 C TYR A 28 38.354 -8.677 6.361 1.00 0.21 C HETATM 2386 O TYR A 28 39.422 -8.776 6.949 1.00 -0.39 O HETATM 2387 N TYR A 28 37.887 -9.625 5.552 1.00 -0.26 N HETATM 2388 CA TYR A 28 38.648 -10.844 5.242 1.00 0.16 C HETATM 2389 CB TYR A 28 38.511 -11.898 6.360 1.00 0.12 C HETATM 2390 OG TYR A 28 37.336 -12.676 6.223 1.00 -0.27 O HETATM 2391 P TYR A 28 37.359 -13.964 7.205 1.00 0.20 P HETATM 2392 O1P TYR A 28 36.844 -13.483 8.647 1.00 -0.55 O HETATM 2393 O2P TYR A 28 36.406 -15.130 6.625 1.00 -0.55 O HETATM 2394 O3P TYR A 28 38.860 -14.560 7.324 1.00 -0.55 O HETATM 2395 H58 TYR A 28 38.483 -11.382 7.331 1.00 0.07 H HETATM 2396 H59 TYR A 28 39.384 -12.566 6.325 1.00 0.07 H HETATM 2397 C TYR A 28 38.193 -11.385 3.889 1.00 0.21 C HETATM 2398 O TYR A 28 37.184 -10.916 3.362 1.00 -0.39 O HETATM 2399 N TYR A 28 38.942 -12.355 3.312 1.00 -0.25 N HETATM 2400 CA TYR A 28 38.573 -12.938 2.025 1.00 0.12 C HETATM 2401 C TYR A 28 37.378 -13.875 2.148 1.00 0.12 C HETATM 2402 O TYR A 28 36.290 -13.549 1.681 1.00 -0.37 O HETATM 2403 H61 TYR A 28 37.489 -14.835 2.651 1.00 0.14 H HETATM 2404 CB TYR A 28 39.818 -13.745 1.634 1.00 -0.01 C HETATM 2405 CG TYR A 28 40.898 -13.293 2.548 1.00 -0.03 C HETATM 2406 CD TYR A 28 40.193 -12.944 3.812 1.00 0.04 C HETATM 2407 H66 TYR A 28 39.998 -13.839 4.421 1.00 0.05 H HETATM 2408 H67 TYR A 28 40.769 -12.217 4.403 1.00 0.05 H HETATM 2409 H64 TYR A 28 41.414 -12.414 2.135 1.00 0.03 H HETATM 2410 H65 TYR A 28 41.626 -14.100 2.719 1.00 0.03 H HETATM 2411 H62 TYR A 28 40.092 -13.543 0.588 1.00 0.03 H HETATM 2412 H63 TYR A 28 39.633 -14.822 1.763 1.00 0.03 H HETATM 2413 H60 TYR A 28 38.355 -12.153 1.286 1.00 0.08 H HETATM 2414 H57 TYR A 28 39.712 -10.576 5.164 1.00 0.08 H HETATM 2415 H56 TYR A 28 36.984 -9.504 5.139 1.00 0.19 H HETATM 2416 CB TYR A 28 37.623 -6.378 5.463 1.00 0.02 C HETATM 2417 CG TYR A 28 38.989 -5.705 5.386 1.00 -0.05 C HETATM 2418 CD1 TYR A 28 40.066 -6.342 4.762 1.00 -0.07 C HETATM 2419 CE1 TYR A 28 41.318 -5.734 4.680 1.00 -0.04 C HETATM 2420 CZ TYR A 28 41.513 -4.477 5.225 1.00 0.08 C HETATM 2421 CE2 TYR A 28 40.455 -3.799 5.839 1.00 -0.04 C HETATM 2422 CD2 TYR A 28 39.194 -4.418 5.908 1.00 -0.07 C HETATM 2423 H52 TYR A 28 38.367 -3.893 6.372 1.00 0.05 H HETATM 2424 H54 TYR A 28 40.605 -2.810 6.256 1.00 0.05 H HETATM 2425 OH TYR A 28 42.770 -3.916 5.132 1.00 -0.34 O HETATM 2426 H55 TYR A 28 43.353 -4.520 4.687 1.00 0.25 H HETATM 2427 H53 TYR A 28 42.138 -6.246 4.190 1.00 0.05 H HETATM 2428 H51 TYR A 28 39.925 -7.328 4.334 1.00 0.05 H HETATM 2429 H49 TYR A 28 36.871 -5.594 5.636 1.00 0.05 H HETATM 2430 H50 TYR A 28 37.432 -6.862 4.494 1.00 0.05 H HETATM 2431 H48 TYR A 28 36.419 -7.816 6.475 1.00 0.08 H HETATM 2432 H47 TYR A 28 38.135 -6.104 8.108 1.00 0.19 H HETATM 2433 CB TYR A 28 38.291 -7.400 11.043 1.00 0.08 C HETATM 2434 OG TYR A 28 38.712 -6.512 12.064 1.00 -0.39 O HETATM 2435 H46 TYR A 28 38.918 -5.667 11.682 1.00 0.21 H HETATM 2436 H44 TYR A 28 39.101 -7.517 10.308 1.00 0.06 H HETATM 2437 H45 TYR A 28 38.055 -8.378 11.488 1.00 0.06 H HETATM 2438 H43 TYR A 28 37.167 -5.766 10.226 1.00 0.08 H HETATM 2439 H42 TYR A 28 35.910 -7.769 11.903 1.00 0.19 H HETATM 2440 CB TYR A 28 32.598 -7.865 10.914 1.00 -0.01 C HETATM 2441 CG TYR A 28 31.402 -7.032 10.564 1.00 -0.03 C HETATM 2442 CD TYR A 28 31.231 -6.066 11.682 1.00 0.04 C HETATM 2443 H40 TYR A 28 30.803 -5.119 11.323 1.00 0.05 H HETATM 2444 H41 TYR A 28 30.588 -6.484 12.470 1.00 0.05 H HETATM 2445 H38 TYR A 28 30.509 -7.667 10.468 1.00 0.03 H HETATM 2446 H39 TYR A 28 31.573 -6.496 9.619 1.00 0.03 H HETATM 2447 H36 TYR A 28 32.294 -8.748 11.496 1.00 0.03 H HETATM 2448 H37 TYR A 28 33.120 -8.189 10.002 1.00 0.03 H HETATM 2449 H35 TYR A 28 33.875 -7.499 12.635 1.00 0.08 H HETATM 2450 CB TYR A 28 32.239 -2.600 12.399 1.00 0.08 C HETATM 2451 OG TYR A 28 33.565 -2.134 12.372 1.00 -0.39 O HETATM 2452 H34 TYR A 28 33.819 -1.855 13.244 1.00 0.21 H HETATM 2453 H32 TYR A 28 31.574 -1.790 12.734 1.00 0.06 H HETATM 2454 H33 TYR A 28 31.945 -2.923 11.389 1.00 0.06 H HETATM 2455 H31 TYR A 28 31.100 -4.168 13.308 1.00 0.08 H HETATM 2456 H30 TYR A 28 32.717 -2.419 14.904 1.00 0.19 H HETATM 2457 CB TYR A 28 31.136 -3.963 17.968 1.00 0.09 C HETATM 2458 OG1 TYR A 28 30.012 -3.262 17.418 1.00 -0.39 O HETATM 2459 H26 TYR A 28 30.175 -2.327 17.455 1.00 0.21 H HETATM 2460 CG2 TYR A 28 31.316 -3.624 19.445 1.00 -0.03 C HETATM 2461 H27 TYR A 28 30.394 -3.869 19.992 1.00 0.03 H HETATM 2462 H28 TYR A 28 31.531 -2.550 19.551 1.00 0.03 H HETATM 2463 H29 TYR A 28 32.153 -4.208 19.856 1.00 0.03 H HETATM 2464 H25 TYR A 28 30.945 -5.043 17.886 1.00 0.06 H HETATM 2465 H24 TYR A 28 33.250 -4.167 17.622 1.00 0.08 H HETATM 2466 H23 TYR A 28 32.038 -1.542 16.931 1.00 0.19 H HETATM 2467 CB TYR A 28 34.586 0.409 18.602 1.00 -0.01 C HETATM 2468 CG TYR A 28 33.260 0.985 19.039 1.00 -0.03 C HETATM 2469 CD TYR A 28 32.609 1.426 17.763 1.00 0.04 C HETATM 2470 H21 TYR A 28 31.514 1.346 17.833 1.00 0.05 H HETATM 2471 H22 TYR A 28 32.886 2.462 17.518 1.00 0.05 H HETATM 2472 H19 TYR A 28 33.410 1.839 19.715 1.00 0.03 H HETATM 2473 H20 TYR A 28 32.651 0.221 19.544 1.00 0.03 H HETATM 2474 H17 TYR A 28 35.329 1.207 18.452 1.00 0.03 H HETATM 2475 H18 TYR A 28 34.964 -0.309 19.344 1.00 0.03 H HETATM 2476 H16 TYR A 28 35.121 -0.210 16.591 1.00 0.08 H HETATM 2477 H13 TYR A 28 31.354 2.012 15.847 1.00 0.08 H HETATM 2478 H12 TYR A 28 32.056 1.166 13.082 1.00 0.19 H HETATM 2479 CB TYR A 28 33.605 3.914 12.216 1.00 0.04 C HETATM 2480 CG TYR A 28 34.557 2.840 12.724 1.00 -0.05 C HETATM 2481 CD1 TYR A 28 35.076 1.858 11.863 1.00 -0.07 C HETATM 2482 CE1 TYR A 28 35.949 0.867 12.345 1.00 -0.04 C HETATM 2483 CZ TYR A 28 36.298 0.883 13.688 1.00 0.08 C HETATM 2484 CE2 TYR A 28 35.796 1.844 14.540 1.00 -0.04 C HETATM 2485 CD2 TYR A 28 34.934 2.803 14.060 1.00 -0.07 C HETATM 2486 H8 TYR A 28 34.539 3.548 14.742 1.00 0.05 H HETATM 2487 H10 TYR A 28 36.080 1.844 15.586 1.00 0.05 H HETATM 2488 OH TYR A 28 37.151 -0.046 14.199 1.00 -0.34 O HETATM 2489 H11 TYR A 28 36.712 -0.532 14.887 1.00 0.25 H HETATM 2490 H9 TYR A 28 36.342 0.106 11.681 1.00 0.05 H HETATM 2491 H7 TYR A 28 34.800 1.865 10.815 1.00 0.05 H HETATM 2492 H5 TYR A 28 33.669 4.784 12.887 1.00 0.05 H HETATM 2493 H6 TYR A 28 33.918 4.208 11.203 1.00 0.05 H HETATM 2494 H4 TYR A 28 32.112 2.548 11.533 1.00 0.11 H HETATM 2495 H1 TYR A 28 31.612 4.689 10.614 1.00 0.20 H HETATM 2496 H2 TYR A 28 31.256 5.297 12.102 1.00 0.20 H HETATM 2497 H3 TYR A 28 30.332 4.094 11.461 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 2347 2348 2495 2496 2497 CONECT 2348 2347 2349 2479 2494 CONECT 2349 2348 2350 2351 CONECT 2350 2349 CONECT 2351 2349 2352 2478 CONECT 2352 2351 2353 2361 2477 CONECT 2353 2352 2354 2359 2360 CONECT 2354 2353 2355 CONECT 2355 2354 2356 2357 2358 CONECT 2356 2355 CONECT 2357 2355 CONECT 2358 2355 CONECT 2359 2353 CONECT 2360 2353 CONECT 2361 2352 2362 2363 CONECT 2362 2361 CONECT 2363 2361 2364 2469 CONECT 2364 2363 2365 2467 2476 CONECT 2365 2364 2366 2367 CONECT 2366 2365 CONECT 2367 2365 2368 2466 CONECT 2368 2367 2369 2457 2465 CONECT 2369 2368 2370 2371 CONECT 2370 2369 CONECT 2371 2369 2372 2456 CONECT 2372 2371 2373 2450 2455 CONECT 2373 2372 2374 2375 CONECT 2374 2373 CONECT 2375 2373 2376 2442 CONECT 2376 2375 2377 2440 2449 CONECT 2377 2376 2378 2379 CONECT 2378 2377 CONECT 2379 2377 2380 2439 CONECT 2380 2379 2381 2433 2438 CONECT 2381 2380 2382 2383 CONECT 2382 2381 CONECT 2383 2381 2384 2432 CONECT 2384 2383 2385 2416 2431 CONECT 2385 2384 2386 2387 CONECT 2386 2385 CONECT 2387 2385 2388 2415 CONECT 2388 2387 2389 2397 2414 CONECT 2389 2388 2390 2395 2396 CONECT 2390 2389 2391 CONECT 2391 2390 2392 2393 2394 CONECT 2392 2391 CONECT 2393 2391 CONECT 2394 2391 CONECT 2395 2389 CONECT 2396 2389 CONECT 2397 2388 2398 2399 CONECT 2398 2397 CONECT 2399 2397 2400 2406 CONECT 2400 2399 2401 2404 2413 CONECT 2401 2400 2402 2403 CONECT 2402 2401 CONECT 2403 2401 CONECT 2404 2400 2405 2411 2412 CONECT 2405 2404 2406 2409 2410 CONECT 2406 2399 2405 2407 2408 CONECT 2407 2406 CONECT 2408 2406 CONECT 2409 2405 CONECT 2410 2405 CONECT 2411 2404 CONECT 2412 2404 CONECT 2413 2400 CONECT 2414 2388 CONECT 2415 2387 CONECT 2416 2384 2417 2429 2430 CONECT 2417 2416 2418 2422 CONECT 2418 2417 2419 2428 CONECT 2419 2418 2420 2427 CONECT 2420 2419 2421 2425 CONECT 2421 2420 2422 2424 CONECT 2422 2417 2421 2423 CONECT 2423 2422 CONECT 2424 2421 CONECT 2425 2420 2426 CONECT 2426 2425 CONECT 2427 2419 CONECT 2428 2418 CONECT 2429 2416 CONECT 2430 2416 CONECT 2431 2384 CONECT 2432 2383 CONECT 2433 2380 2434 2436 2437 CONECT 2434 2433 2435 CONECT 2435 2434 CONECT 2436 2433 CONECT 2437 2433 CONECT 2438 2380 CONECT 2439 2379 CONECT 2440 2376 2441 2447 2448 CONECT 2441 2440 2442 2445 2446 CONECT 2442 2375 2441 2443 2444 CONECT 2443 2442 CONECT 2444 2442 CONECT 2445 2441 CONECT 2446 2441 CONECT 2447 2440 CONECT 2448 2440 CONECT 2449 2376 CONECT 2450 2372 2451 2453 2454 CONECT 2451 2450 2452 CONECT 2452 2451 CONECT 2453 2450 CONECT 2454 2450 CONECT 2455 2372 CONECT 2456 2371 CONECT 2457 2368 2458 2460 2464 CONECT 2458 2457 2459 CONECT 2459 2458 CONECT 2460 2457 2461 2462 2463 CONECT 2461 2460 CONECT 2462 2460 CONECT 2463 2460 CONECT 2464 2457 CONECT 2465 2368 CONECT 2466 2367 CONECT 2467 2364 2468 2474 2475 CONECT 2468 2467 2469 2472 2473 CONECT 2469 2363 2468 2470 2471 CONECT 2470 2469 CONECT 2471 2469 CONECT 2472 2468 CONECT 2473 2468 CONECT 2474 2467 CONECT 2475 2467 CONECT 2476 2364 CONECT 2477 2352 CONECT 2478 2351 CONECT 2479 2348 2480 2492 2493 CONECT 2480 2479 2481 2485 CONECT 2481 2480 2482 2491 CONECT 2482 2481 2483 2490 CONECT 2483 2482 2484 2488 CONECT 2484 2483 2485 2487 CONECT 2485 2480 2484 2486 CONECT 2486 2485 CONECT 2487 2484 CONECT 2488 2483 2489 CONECT 2489 2488 CONECT 2490 2482 CONECT 2491 2481 CONECT 2492 2479 CONECT 2493 2479 CONECT 2494 2348 CONECT 2495 2347 CONECT 2496 2347 CONECT 2497 2347 MASTER 0 0 0 0 0 0 0 0 2496 1 155 11 END
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145aa, >3D9K_1|Chains... *
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PDBbind
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PDBbind
14-mer
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PDBbind
14-mer
1t29
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PDBbind
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PDBbind
14-mer
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PDBbind
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PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
14-mer
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PDBbind
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PDBbind
14-mer
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PDBbind
14-mer
2l75
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2lo6
RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
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PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
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2oi3
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PDBbind
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2xl3
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2xs0
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2y8o
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PDBbind
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PDBbind
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3wuu
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PDBbind
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PDBbind
14-mer
4ery
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PDBbind
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4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
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4ewr
RCSB PDB
PDBbind
14-mer
4fi9
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14-mer
4gly
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4gxl
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5e0l
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5eoc
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PDBbind
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5h5s
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PDBbind
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PDBbind
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Entry Information
PDB ID
3d9l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CTD INTERACTING DOMAIN of RNA processing factor SCAF8
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=68uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 22659-22669
Ligand Properties
Formula
C
4
9
H
7
3
N
1
0
O
2
3
P
2
Molecular Weight
1232.100
Exact Mass
1231.430
No. of atoms
157
No. of bonds
161
Polar Surface Area
548.41
LOGP Value
-9.30 (
Computed with XLOGP3
)
-5.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 5
Canonical SMILES
O=C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])COP(O)(O)O)CO)CO)Cc1ccc(cc1)O)COP(O)(O)O
InChI String
InChI=1S/C49H74N10O23P2/c1-26(63)40(56-45(70)39-7-4-18-59(39)49(74)37(25-82-84(78,79)80)54-41(66)32(50)19-27-8-12-30(64)13-9-27)46(71)53-35(23-62)47(72)58-17-3-6-38(58)44(69)52-34(22-61)43(68)51-33(20-28-10-14-31(65)15-11-28)42(67)55-36(24-81-83(75,76)77)48(73)57-16-2-5-29(57)21-60/h8-15,21,26,29,32-40,61-65,75-80,83-84H,2-7,16-20,22-25,50H2,1H3,(H,51,68)(H,52,69)(H,53,71)(H,54,66)(H,55,67)(H,56,70)/p+1/t26-,29+,32+,33+,34+,35+,36+,37+,38+,39+,40+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UPN6
P24928
Entrez Gene ID
NCBI Entrez Gene ID:
22828
5430
ASD
Information of known allosteric effects of PDB entries
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