Browse entries in the PDBbind-CN Database
HEADER 3DJV_COMPLEX COMPND 3DJV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU SER ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER GLY ASN SER PRO SER SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN LEU MET MET CYS CYS ARG LYS MET THR GLN GLY LYS SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL LYS ALA VAL CYS SER GLN LYS LYS VAL THR CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER LYS SER THR SEQRES 7 A 124 MET ARG ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN VAL GLU LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLY GLY LYS PRO SER VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL SEQRES 1 B 124 LYS GLU SER ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 B 124 ASP SER GLY ASN SER PRO SER SER SER SER ASN TYR CYS SEQRES 3 B 124 ASN LEU MET MET CYS CYS ARG LYS MET THR GLN GLY LYS SEQRES 4 B 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 B 124 ASP VAL LYS ALA VAL CYS SER GLN LYS LYS VAL THR CYS SEQRES 6 B 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER LYS SER THR SEQRES 7 B 124 MET ARG ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 B 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN VAL GLU LYS SEQRES 9 B 124 HIS ILE ILE VAL ALA CYS GLY GLY LYS PRO SER VAL PRO SEQRES 10 B 124 VAL HIS PHE ASP ALA SER VAL HET C A 3P 33 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 SSBOND 5 CYS B 65 CYS B 72 SSBOND 6 CYS B 26 CYS B 84 SSBOND 7 CYS B 40 CYS B 95 SSBOND 8 CYS B 58 CYS B 110 SSBOND 9 CYS A 32 CYS B 31 SSBOND 10 CYS A 31 CYS B 32 ATOM 1 N LYS A 1 15.512 22.481 32.839 1.00 14.26 N ATOM 2 CA LYS A 1 15.472 21.354 31.862 1.00 14.27 C ATOM 3 C LYS A 1 14.429 21.614 30.775 1.00 13.53 C ATOM 4 O LYS A 1 13.310 22.031 31.074 1.00 13.90 O ATOM 5 CB LYS A 1 15.175 20.035 32.586 1.00 14.26 C ATOM 6 CG LYS A 1 15.109 18.813 31.677 1.00 14.92 C ATOM 7 CD LYS A 1 14.976 17.527 32.484 1.00 15.19 C ATOM 8 CE LYS A 1 14.485 16.370 31.619 1.00 16.48 C ATOM 9 NZ LYS A 1 15.405 16.047 30.489 1.00 17.46 N ATOM 10 HA LYS A 1 16.449 21.279 31.384 1.00 0.00 H ATOM 11 HB2 LYS A 1 15.959 19.868 33.324 1.00 0.00 H ATOM 12 HB3 LYS A 1 14.215 20.134 33.093 1.00 0.00 H ATOM 13 HG2 LYS A 1 14.247 18.908 31.016 1.00 0.00 H ATOM 14 HG3 LYS A 1 16.020 18.765 31.080 1.00 0.00 H ATOM 15 HD2 LYS A 1 15.949 17.269 32.902 1.00 0.00 H ATOM 16 HD3 LYS A 1 14.266 17.689 33.295 1.00 0.00 H ATOM 17 HE2 LYS A 1 13.511 16.634 31.208 1.00 0.00 H ATOM 18 HE3 LYS A 1 14.385 15.485 32.248 1.00 0.00 H ATOM 19 HZ1 LYS A 1 15.502 16.880 29.874 1.00 0.00 H ATOM 20 HZ2 LYS A 1 16.337 15.783 30.867 1.00 0.00 H ATOM 21 HZ3 LYS A 1 15.014 15.254 29.941 1.00 0.00 H ATOM 22 HN3 LYS A 1 14.579 22.583 33.287 1.00 0.00 H ATOM 23 HN2 LYS A 1 15.758 23.361 32.342 1.00 0.00 H ATOM 24 HN1 LYS A 1 16.227 22.282 33.567 1.00 0.00 H ATOM 25 N GLU A 2 14.808 21.377 29.519 1.00 12.51 N ATOM 26 CA GLU A 2 13.894 21.504 28.385 1.00 11.59 C ATOM 27 C GLU A 2 12.612 20.718 28.655 1.00 10.93 C ATOM 28 O GLU A 2 12.665 19.543 29.024 1.00 11.03 O ATOM 29 CB GLU A 2 14.567 20.984 27.113 1.00 11.76 C ATOM 30 CG GLU A 2 13.778 21.233 25.836 1.00 11.47 C ATOM 31 CD GLU A 2 14.438 20.641 24.597 1.00 11.83 C ATOM 32 OE1 GLU A 2 15.035 19.546 24.683 1.00 12.89 O ATOM 33 OE2 GLU A 2 14.347 21.274 23.532 1.00 12.59 O ATOM 34 HA GLU A 2 13.642 22.556 28.250 1.00 0.00 H ATOM 35 HB2 GLU A 2 15.536 21.473 27.016 1.00 0.00 H ATOM 36 HB3 GLU A 2 14.713 19.909 27.219 1.00 0.00 H ATOM 37 HG2 GLU A 2 12.789 20.789 25.948 1.00 0.00 H ATOM 38 HG3 GLU A 2 13.678 22.309 25.695 1.00 0.00 H ATOM 39 H GLU A 2 15.792 21.091 29.339 1.00 0.00 H ATOM 40 N SER A 3 11.462 21.364 28.487 1.00 10.11 N ATOM 41 CA SER A 3 10.191 20.680 28.719 1.00 9.57 C ATOM 42 C SER A 3 9.954 19.652 27.619 1.00 9.38 C ATOM 43 O SER A 3 10.484 19.790 26.514 1.00 8.94 O ATOM 44 CB SER A 3 9.028 21.670 28.788 1.00 9.71 C ATOM 45 OG SER A 3 8.709 22.179 27.502 1.00 9.78 O ATOM 46 HA SER A 3 10.245 20.172 29.682 1.00 0.00 H ATOM 47 HB2 SER A 3 9.304 22.499 29.440 1.00 0.00 H ATOM 48 HB3 SER A 3 8.154 21.164 29.197 1.00 0.00 H ATOM 49 HG SER A 3 7.955 22.816 27.578 1.00 0.00 H ATOM 50 H SER A 3 11.467 22.360 28.189 1.00 0.00 H ATOM 51 N ALA A 4 9.158 18.629 27.921 1.00 9.06 N ATOM 52 CA ALA A 4 8.785 17.643 26.901 1.00 9.08 C ATOM 53 C ALA A 4 8.077 18.312 25.727 1.00 9.21 C ATOM 54 O ALA A 4 8.336 17.976 24.575 1.00 9.64 O ATOM 55 CB ALA A 4 7.920 16.548 27.496 1.00 9.21 C ATOM 56 HA ALA A 4 9.701 17.186 26.527 1.00 0.00 H ATOM 57 HB1 ALA A 4 8.471 16.042 28.288 1.00 0.00 H ATOM 58 HB2 ALA A 4 7.011 16.988 27.908 1.00 0.00 H ATOM 59 HB3 ALA A 4 7.658 15.831 26.718 1.00 0.00 H ATOM 60 H ALA A 4 8.796 18.528 28.891 1.00 0.00 H ATOM 61 N ALA A 5 7.207 19.276 26.025 1.00 9.24 N ATOM 62 CA ALA A 5 6.498 20.020 24.984 1.00 9.09 C ATOM 63 C ALA A 5 7.473 20.749 24.063 1.00 9.28 C ATOM 64 O ALA A 5 7.367 20.646 22.838 1.00 9.04 O ATOM 65 CB ALA A 5 5.514 21.002 25.605 1.00 9.63 C ATOM 66 HA ALA A 5 5.941 19.303 24.381 1.00 0.00 H ATOM 67 HB1 ALA A 5 4.788 20.455 26.207 1.00 0.00 H ATOM 68 HB2 ALA A 5 6.055 21.706 26.237 1.00 0.00 H ATOM 69 HB3 ALA A 5 4.997 21.545 24.814 1.00 0.00 H ATOM 70 H ALA A 5 7.027 19.505 27.023 1.00 0.00 H ATOM 71 N ALA A 6 8.429 21.466 24.656 1.00 9.26 N ATOM 72 CA ALA A 6 9.448 22.191 23.885 1.00 9.58 C ATOM 73 C ALA A 6 10.349 21.249 23.095 1.00 9.81 C ATOM 74 O ALA A 6 10.743 21.554 21.966 1.00 9.75 O ATOM 75 CB ALA A 6 10.289 23.075 24.802 1.00 9.75 C ATOM 76 HA ALA A 6 8.919 22.819 23.168 1.00 0.00 H ATOM 77 HB1 ALA A 6 9.643 23.797 25.301 1.00 0.00 H ATOM 78 HB2 ALA A 6 10.786 22.454 25.548 1.00 0.00 H ATOM 79 HB3 ALA A 6 11.037 23.602 24.210 1.00 0.00 H ATOM 80 H ALA A 6 8.454 21.513 25.695 1.00 0.00 H ATOM 81 N LYS A 7 10.680 20.109 23.692 1.00 9.71 N ATOM 82 CA LYS A 7 11.520 19.125 23.022 1.00 9.38 C ATOM 83 C LYS A 7 10.822 18.611 21.771 1.00 9.02 C ATOM 84 O LYS A 7 11.452 18.474 20.724 1.00 9.10 O ATOM 85 CB LYS A 7 11.878 17.969 23.956 1.00 9.62 C ATOM 86 CG LYS A 7 12.770 16.917 23.318 1.00 10.55 C ATOM 87 CD LYS A 7 13.169 15.846 24.318 1.00 12.70 C ATOM 88 CE LYS A 7 13.806 14.661 23.612 1.00 14.17 C ATOM 89 NZ LYS A 7 14.308 13.663 24.591 1.00 15.91 N ATOM 90 HA LYS A 7 12.451 19.612 22.733 1.00 0.00 H ATOM 91 HB2 LYS A 7 12.395 18.377 24.825 1.00 0.00 H ATOM 92 HB3 LYS A 7 10.954 17.488 24.277 1.00 0.00 H ATOM 93 HG2 LYS A 7 12.233 16.449 22.493 1.00 0.00 H ATOM 94 HG3 LYS A 7 13.670 17.399 22.937 1.00 0.00 H ATOM 95 HD2 LYS A 7 13.883 16.266 25.027 1.00 0.00 H ATOM 96 HD3 LYS A 7 12.282 15.509 24.854 1.00 0.00 H ATOM 97 HE2 LYS A 7 14.639 15.014 23.004 1.00 0.00 H ATOM 98 HE3 LYS A 7 13.064 14.188 22.969 1.00 0.00 H ATOM 99 HZ1 LYS A 7 15.020 14.108 25.204 1.00 0.00 H ATOM 100 HZ2 LYS A 7 13.516 13.319 25.171 1.00 0.00 H ATOM 101 HZ3 LYS A 7 14.738 12.865 24.081 1.00 0.00 H ATOM 102 H LYS A 7 10.334 19.916 24.653 1.00 0.00 H ATOM 103 N PHE A 8 9.516 18.360 21.871 1.00 8.62 N ATOM 104 CA PHE A 8 8.752 17.917 20.708 1.00 8.50 C ATOM 105 C PHE A 8 8.767 18.994 19.621 1.00 8.65 C ATOM 106 O PHE A 8 8.941 18.695 18.438 1.00 9.17 O ATOM 107 CB PHE A 8 7.306 17.547 21.083 1.00 8.92 C ATOM 108 CG PHE A 8 6.487 17.097 19.907 1.00 7.95 C ATOM 109 CD1 PHE A 8 5.814 18.027 19.112 1.00 8.10 C ATOM 110 CD2 PHE A 8 6.418 15.746 19.560 1.00 8.07 C ATOM 111 CE1 PHE A 8 5.078 17.617 17.996 1.00 7.59 C ATOM 112 CE2 PHE A 8 5.688 15.321 18.446 1.00 8.56 C ATOM 113 CZ PHE A 8 5.013 16.262 17.658 1.00 9.03 C ATOM 114 HA PHE A 8 9.229 17.017 20.321 1.00 0.00 H ATOM 115 HB2 PHE A 8 7.333 16.740 21.816 1.00 0.00 H ATOM 116 HB3 PHE A 8 6.828 18.421 21.525 1.00 0.00 H ATOM 117 HD2 PHE A 8 6.943 15.010 20.169 1.00 0.00 H ATOM 118 HE2 PHE A 8 5.644 14.262 18.192 1.00 0.00 H ATOM 119 HZ PHE A 8 4.441 15.940 16.788 1.00 0.00 H ATOM 120 HE1 PHE A 8 4.554 18.355 17.389 1.00 0.00 H ATOM 121 HD1 PHE A 8 5.863 19.086 19.365 1.00 0.00 H ATOM 122 H PHE A 8 9.037 18.481 22.786 1.00 0.00 H ATOM 123 N GLU A 9 8.566 20.248 20.017 1.00 8.24 N ATOM 124 CA GLU A 9 8.567 21.339 19.042 1.00 8.50 C ATOM 125 C GLU A 9 9.925 21.475 18.351 1.00 8.35 C ATOM 126 O GLU A 9 9.991 21.661 17.133 1.00 8.53 O ATOM 127 CB GLU A 9 8.140 22.647 19.694 1.00 8.58 C ATOM 128 CG GLU A 9 6.682 22.631 20.111 1.00 9.89 C ATOM 129 CD GLU A 9 6.168 24.000 20.478 1.00 12.72 C ATOM 130 OE1 GLU A 9 6.496 24.978 19.764 1.00 14.84 O ATOM 131 OE2 GLU A 9 5.416 24.092 21.470 1.00 12.06 O ATOM 132 HA GLU A 9 7.838 21.096 18.269 1.00 0.00 H ATOM 133 HB2 GLU A 9 8.756 22.817 20.577 1.00 0.00 H ATOM 134 HB3 GLU A 9 8.293 23.460 18.984 1.00 0.00 H ATOM 135 HG2 GLU A 9 6.086 22.244 19.284 1.00 0.00 H ATOM 136 HG3 GLU A 9 6.573 21.974 20.974 1.00 0.00 H ATOM 137 H GLU A 9 8.407 20.454 21.024 1.00 0.00 H ATOM 138 N ARG A 10 11.004 21.350 19.123 1.00 8.35 N ATOM 139 CA ARG A 10 12.348 21.443 18.555 1.00 8.12 C ATOM 140 C ARG A 10 12.631 20.292 17.588 1.00 8.41 C ATOM 141 O ARG A 10 13.143 20.498 16.481 1.00 8.24 O ATOM 142 CB ARG A 10 13.400 21.456 19.663 1.00 8.25 C ATOM 143 CG ARG A 10 14.825 21.343 19.135 1.00 8.00 C ATOM 144 CD ARG A 10 15.852 21.454 20.242 1.00 8.14 C ATOM 145 NE ARG A 10 15.688 20.428 21.277 1.00 9.10 N ATOM 146 CZ ARG A 10 16.164 19.184 21.199 1.00 9.66 C ATOM 147 NH1 ARG A 10 16.842 18.774 20.128 1.00 9.55 N ATOM 148 NH2 ARG A 10 15.969 18.342 22.207 1.00 10.27 N ATOM 149 HA ARG A 10 12.401 22.378 17.997 1.00 0.00 H ATOM 150 HB2 ARG A 10 13.308 22.390 20.218 1.00 0.00 H ATOM 151 HB3 ARG A 10 13.210 20.617 20.332 1.00 0.00 H ATOM 152 HG2 ARG A 10 14.942 20.378 18.642 1.00 0.00 H ATOM 153 HG3 ARG A 10 14.997 22.142 18.414 1.00 0.00 H ATOM 154 HD2 ARG A 10 15.758 22.435 20.707 1.00 0.00 H ATOM 155 HD3 ARG A 10 16.846 21.353 19.806 1.00 0.00 H ATOM 156 HE ARG A 10 15.162 20.689 22.135 1.00 0.00 H ATOM 157 HH12 ARG A 10 17.206 17.801 20.084 1.00 0.00 H ATOM 158 HH11 ARG A 10 17.007 19.427 19.336 1.00 0.00 H ATOM 159 HH22 ARG A 10 16.338 17.371 22.152 1.00 0.00 H ATOM 160 HH21 ARG A 10 15.448 18.653 23.051 1.00 0.00 H ATOM 161 H ARG A 10 10.889 21.184 20.143 1.00 0.00 H ATOM 162 N GLN A 11 12.288 19.085 18.016 1.00 8.26 N ATOM 163 CA GLN A 11 12.597 17.899 17.237 1.00 8.65 C ATOM 164 C GLN A 11 11.695 17.697 16.031 1.00 8.14 C ATOM 165 O GLN A 11 12.132 17.142 15.022 1.00 8.43 O ATOM 166 CB GLN A 11 12.537 16.648 18.109 1.00 9.15 C ATOM 167 CG GLN A 11 13.639 16.563 19.152 1.00 10.12 C ATOM 168 CD GLN A 11 13.817 15.145 19.684 1.00 12.46 C ATOM 169 OE1 GLN A 11 14.929 14.620 19.715 1.00 15.93 O ATOM 170 NE2 GLN A 11 12.720 14.515 20.082 1.00 13.20 N ATOM 171 HA GLN A 11 13.607 18.061 16.862 1.00 0.00 H ATOM 172 HB2 GLN A 11 11.576 16.636 18.624 1.00 0.00 H ATOM 173 HB3 GLN A 11 12.611 15.775 17.461 1.00 0.00 H ATOM 174 HG2 GLN A 11 14.576 16.890 18.701 1.00 0.00 H ATOM 175 HG3 GLN A 11 13.388 17.222 19.983 1.00 0.00 H ATOM 176 HE22 GLN A 11 11.799 14.997 20.039 1.00 0.00 H ATOM 177 HE21 GLN A 11 12.781 13.539 20.437 1.00 0.00 H ATOM 178 H GLN A 11 11.790 18.986 18.924 1.00 0.00 H ATOM 179 N HIS A 12 10.442 18.132 16.130 1.00 8.32 N ATOM 180 CA HIS A 12 9.429 17.653 15.189 1.00 8.29 C ATOM 181 C HIS A 12 8.590 18.695 14.462 1.00 8.47 C ATOM 182 O HIS A 12 7.852 18.336 13.544 1.00 9.38 O ATOM 183 CB HIS A 12 8.496 16.629 15.864 1.00 8.53 C ATOM 184 CG HIS A 12 9.220 15.460 16.446 1.00 7.45 C ATOM 185 ND1 HIS A 12 9.903 14.550 15.668 1.00 7.28 N ATOM 186 CD2 HIS A 12 9.390 15.062 17.730 1.00 7.15 C ATOM 187 CE1 HIS A 12 10.456 13.636 16.447 1.00 7.92 C ATOM 188 NE2 HIS A 12 10.158 13.924 17.702 1.00 8.35 N ATOM 189 HA HIS A 12 10.034 17.201 14.403 1.00 0.00 H ATOM 190 HB2 HIS A 12 7.952 17.132 16.664 1.00 0.00 H ATOM 191 HB3 HIS A 12 7.789 16.262 15.120 1.00 0.00 H ATOM 192 HD2 HIS A 12 8.992 15.553 18.618 1.00 0.00 H ATOM 193 HE1 HIS A 12 11.055 12.790 16.112 1.00 0.00 H ATOM 194 H HIS A 12 10.183 18.811 16.874 1.00 0.00 H ATOM 195 N MET A 13 8.689 19.963 14.867 1.00 8.44 N ATOM 196 CA MET A 13 7.847 21.001 14.267 1.00 8.18 C ATOM 197 C MET A 13 8.633 21.922 13.346 1.00 8.12 C ATOM 198 O MET A 13 9.637 22.515 13.745 1.00 8.69 O ATOM 199 CB MET A 13 7.129 21.831 15.338 1.00 8.56 C ATOM 200 CG MET A 13 6.031 21.083 16.088 1.00 7.82 C ATOM 201 SD MET A 13 4.714 20.366 15.079 1.00 8.08 S ATOM 202 CE MET A 13 4.186 21.802 14.143 1.00 7.98 C ATOM 203 HA MET A 13 7.103 20.478 13.667 1.00 0.00 H ATOM 204 HB2 MET A 13 7.870 22.165 16.064 1.00 0.00 H ATOM 205 HB3 MET A 13 6.680 22.698 14.853 1.00 0.00 H ATOM 206 HG2 MET A 13 5.571 21.782 16.787 1.00 0.00 H ATOM 207 HG3 MET A 13 6.502 20.272 16.644 1.00 0.00 H ATOM 208 HE1 MET A 13 3.839 22.574 14.830 1.00 0.00 H ATOM 209 HE2 MET A 13 5.025 22.183 13.560 1.00 0.00 H ATOM 210 HE3 MET A 13 3.375 21.519 13.472 1.00 0.00 H ATOM 211 H MET A 13 9.368 20.216 15.613 1.00 0.00 H ATOM 212 N ASP A 14 8.166 22.028 12.105 1.00 7.59 N ATOM 213 CA ASP A 14 8.651 23.046 11.182 1.00 7.05 C ATOM 214 C ASP A 14 7.489 23.501 10.306 1.00 7.04 C ATOM 215 O ASP A 14 7.414 23.182 9.122 1.00 6.48 O ATOM 216 CB ASP A 14 9.825 22.534 10.340 1.00 7.78 C ATOM 217 CG ASP A 14 10.430 23.620 9.452 1.00 7.94 C ATOM 218 OD1 ASP A 14 10.259 24.824 9.753 1.00 8.69 O ATOM 219 OD2 ASP A 14 11.094 23.272 8.454 1.00 8.39 O ATOM 220 HA ASP A 14 9.032 23.895 11.749 1.00 0.00 H ATOM 221 HB2 ASP A 14 10.599 22.160 11.010 1.00 0.00 H ATOM 222 HB3 ASP A 14 9.472 21.721 9.706 1.00 0.00 H ATOM 223 H ASP A 14 7.433 21.364 11.784 1.00 0.00 H ATOM 224 N SER A 15 6.587 24.251 10.925 1.00 7.27 N ATOM 225 CA SER A 15 5.351 24.672 10.282 1.00 7.63 C ATOM 226 C SER A 15 5.624 25.585 9.099 1.00 8.39 C ATOM 227 O SER A 15 6.396 26.531 9.207 1.00 8.71 O ATOM 228 CB SER A 15 4.464 25.379 11.307 1.00 8.26 C ATOM 229 OG SER A 15 4.157 24.499 12.375 1.00 7.45 O ATOM 230 HA SER A 15 4.839 23.788 9.901 1.00 0.00 H ATOM 231 HB2 SER A 15 3.540 25.698 10.825 1.00 0.00 H ATOM 232 HB3 SER A 15 4.988 26.251 11.697 1.00 0.00 H ATOM 233 HG SER A 15 3.679 23.707 12.022 1.00 0.00 H ATOM 234 H SER A 15 6.769 24.549 11.905 1.00 0.00 H ATOM 235 N GLY A 16 4.979 25.293 7.976 1.00 8.79 N ATOM 236 CA GLY A 16 5.128 26.099 6.768 1.00 9.88 C ATOM 237 C GLY A 16 4.810 25.326 5.506 1.00 11.25 C ATOM 238 O GLY A 16 4.783 24.095 5.514 1.00 11.40 O ATOM 239 HA3 GLY A 16 6.157 26.454 6.710 1.00 0.00 H ATOM 240 HA2 GLY A 16 4.454 26.953 6.833 1.00 0.00 H ATOM 241 H GLY A 16 4.349 24.466 7.956 1.00 0.00 H ATOM 242 N ASN A 17 4.571 26.058 4.422 1.00 12.24 N ATOM 243 CA ASN A 17 4.167 25.465 3.147 1.00 13.44 C ATOM 244 C ASN A 17 5.299 24.915 2.289 1.00 13.96 C ATOM 245 O ASN A 17 5.094 23.974 1.513 1.00 14.52 O ATOM 246 CB ASN A 17 3.353 26.466 2.330 1.00 13.56 C ATOM 247 CG ASN A 17 1.874 26.413 2.650 1.00 14.37 C ATOM 248 OD1 ASN A 17 1.349 25.373 3.055 1.00 16.00 O ATOM 249 ND2 ASN A 17 1.193 27.536 2.471 1.00 14.95 N ATOM 250 HA ASN A 17 3.566 24.600 3.427 1.00 0.00 H ATOM 251 HB2 ASN A 17 3.720 27.470 2.541 1.00 0.00 H ATOM 252 HB3 ASN A 17 3.489 26.246 1.271 1.00 0.00 H ATOM 253 HD22 ASN A 17 1.678 28.389 2.127 1.00 0.00 H ATOM 254 HD21 ASN A 17 0.173 27.564 2.674 1.00 0.00 H ATOM 255 H ASN A 17 4.675 27.091 4.483 1.00 0.00 H ATOM 256 N SER A 18 6.482 25.511 2.411 1.00 14.37 N ATOM 257 CA SER A 18 7.610 25.134 1.559 1.00 14.73 C ATOM 258 C SER A 18 8.907 25.020 2.361 1.00 14.95 C ATOM 259 O SER A 18 9.841 25.792 2.142 1.00 14.78 O ATOM 260 CB SER A 18 7.769 26.135 0.408 1.00 14.75 C ATOM 261 OG SER A 18 6.545 26.311 -0.284 1.00 15.43 O ATOM 262 HA SER A 18 7.397 24.151 1.140 1.00 0.00 H ATOM 263 HB2 SER A 18 8.522 25.763 -0.287 1.00 0.00 H ATOM 264 HB3 SER A 18 8.092 27.095 0.812 1.00 0.00 H ATOM 265 HG SER A 18 6.674 26.960 -1.020 1.00 0.00 H ATOM 266 H SER A 18 6.607 26.258 3.124 1.00 0.00 H ATOM 267 N PRO A 19 8.974 24.037 3.285 1.00 15.16 N ATOM 268 CA PRO A 19 10.123 23.916 4.183 1.00 15.44 C ATOM 269 C PRO A 19 11.447 23.652 3.469 1.00 15.63 C ATOM 270 O PRO A 19 12.495 24.098 3.941 1.00 15.91 O ATOM 271 CB PRO A 19 9.755 22.713 5.055 1.00 15.34 C ATOM 272 CG PRO A 19 8.788 21.925 4.223 1.00 15.21 C ATOM 273 CD PRO A 19 7.984 22.969 3.526 1.00 15.34 C ATOM 274 HA PRO A 19 10.291 24.846 4.726 1.00 0.00 H ATOM 275 HD3 PRO A 19 7.578 22.591 2.588 1.00 0.00 H ATOM 276 HD2 PRO A 19 7.169 23.324 4.157 1.00 0.00 H ATOM 277 HG3 PRO A 19 8.153 21.301 4.852 1.00 0.00 H ATOM 278 HG2 PRO A 19 9.315 21.297 3.505 1.00 0.00 H ATOM 279 HB2 PRO A 19 10.639 22.119 5.284 1.00 0.00 H ATOM 280 HB3 PRO A 19 9.287 23.039 5.984 1.00 0.00 H ATOM 281 N SER A 20 11.391 22.933 2.348 1.00 15.93 N ATOM 282 CA SER A 20 12.596 22.543 1.613 1.00 16.14 C ATOM 283 C SER A 20 12.994 23.535 0.513 1.00 16.39 C ATOM 284 O SER A 20 13.989 23.320 -0.188 1.00 16.75 O ATOM 285 CB SER A 20 12.435 21.142 1.024 1.00 16.27 C ATOM 286 OG SER A 20 11.545 21.152 -0.076 1.00 16.07 O ATOM 287 HA SER A 20 13.407 22.547 2.341 1.00 0.00 H ATOM 288 HB2 SER A 20 12.044 20.475 1.792 1.00 0.00 H ATOM 289 HB3 SER A 20 13.408 20.781 0.692 1.00 0.00 H ATOM 290 HG SER A 20 10.658 21.475 0.222 1.00 0.00 H ATOM 291 H SER A 20 10.462 22.640 1.984 1.00 0.00 H ATOM 292 N SER A 21 12.222 24.613 0.373 1.00 15.95 N ATOM 293 CA SER A 21 12.499 25.655 -0.621 1.00 15.67 C ATOM 294 C SER A 21 13.904 26.228 -0.484 1.00 15.15 C ATOM 295 O SER A 21 14.409 26.405 0.629 1.00 14.86 O ATOM 296 CB SER A 21 11.478 26.786 -0.506 1.00 15.77 C ATOM 297 OG SER A 21 11.731 27.807 -1.459 1.00 16.72 O ATOM 298 HA SER A 21 12.423 25.183 -1.601 1.00 0.00 H ATOM 299 HB2 SER A 21 11.532 27.213 0.495 1.00 0.00 H ATOM 300 HB3 SER A 21 10.480 26.382 -0.674 1.00 0.00 H ATOM 301 HG SER A 21 11.055 28.524 -1.360 1.00 0.00 H ATOM 302 H SER A 21 11.393 24.719 0.992 1.00 0.00 H ATOM 303 N SER A 22 14.526 26.524 -1.623 1.00 14.60 N ATOM 304 CA SER A 22 15.841 27.163 -1.636 1.00 14.06 C ATOM 305 C SER A 22 15.806 28.514 -0.912 1.00 13.15 C ATOM 306 O SER A 22 16.815 28.962 -0.377 1.00 13.17 O ATOM 307 CB SER A 22 16.362 27.332 -3.067 1.00 14.27 C ATOM 308 OG SER A 22 15.400 27.961 -3.894 1.00 15.50 O ATOM 309 HA SER A 22 16.529 26.508 -1.101 1.00 0.00 H ATOM 310 HB2 SER A 22 16.596 26.350 -3.478 1.00 0.00 H ATOM 311 HB3 SER A 22 17.266 27.941 -3.047 1.00 0.00 H ATOM 312 HG SER A 22 14.578 27.410 -3.921 1.00 0.00 H ATOM 313 H SER A 22 14.065 26.295 -2.527 1.00 0.00 H ATOM 314 N SER A 23 14.631 29.142 -0.880 1.00 12.42 N ATOM 315 CA SER A 23 14.450 30.402 -0.160 1.00 12.12 C ATOM 316 C SER A 23 14.721 30.261 1.341 1.00 11.51 C ATOM 317 O SER A 23 14.980 31.255 2.019 1.00 11.56 O ATOM 318 CB SER A 23 13.044 30.965 -0.395 1.00 12.22 C ATOM 319 OG SER A 23 12.061 30.130 0.194 1.00 14.34 O ATOM 320 HA SER A 23 15.185 31.101 -0.559 1.00 0.00 H ATOM 321 HB2 SER A 23 12.860 31.032 -1.467 1.00 0.00 H ATOM 322 HB3 SER A 23 12.979 31.960 0.046 1.00 0.00 H ATOM 323 HG SER A 23 12.114 29.226 -0.207 1.00 0.00 H ATOM 324 H SER A 23 13.821 28.725 -1.381 1.00 0.00 H ATOM 325 N ASN A 24 14.656 29.029 1.849 1.00 10.79 N ATOM 326 CA ASN A 24 14.881 28.764 3.274 1.00 10.65 C ATOM 327 C ASN A 24 16.313 28.376 3.618 1.00 10.20 C ATOM 328 O ASN A 24 16.613 28.095 4.785 1.00 10.01 O ATOM 329 CB ASN A 24 13.934 27.669 3.784 1.00 11.33 C ATOM 330 CG ASN A 24 12.492 28.134 3.869 1.00 13.59 C ATOM 331 OD1 ASN A 24 11.567 27.349 3.661 1.00 17.76 O ATOM 332 ND2 ASN A 24 12.291 29.413 4.185 1.00 15.92 N ATOM 333 HA ASN A 24 14.676 29.712 3.772 1.00 0.00 H ATOM 334 HB2 ASN A 24 13.987 26.818 3.105 1.00 0.00 H ATOM 335 HB3 ASN A 24 14.260 27.360 4.777 1.00 0.00 H ATOM 336 HD22 ASN A 24 13.103 30.041 4.352 1.00 0.00 H ATOM 337 HD21 ASN A 24 11.322 29.783 4.264 1.00 0.00 H ATOM 338 H ASN A 24 14.439 28.233 1.216 1.00 0.00 H ATOM 339 N TYR A 25 17.190 28.353 2.614 1.00 9.52 N ATOM 340 CA TYR A 25 18.569 27.900 2.821 1.00 9.30 C ATOM 341 C TYR A 25 19.249 28.665 3.955 1.00 9.48 C ATOM 342 O TYR A 25 19.779 28.056 4.886 1.00 9.59 O ATOM 343 CB TYR A 25 19.383 28.009 1.530 1.00 9.45 C ATOM 344 CG TYR A 25 20.866 27.731 1.693 1.00 9.47 C ATOM 345 CD1 TYR A 25 21.376 26.437 1.574 1.00 9.90 C ATOM 346 CD2 TYR A 25 21.758 28.769 1.950 1.00 9.65 C ATOM 347 CE1 TYR A 25 22.738 26.192 1.714 1.00 9.45 C ATOM 348 CE2 TYR A 25 23.116 28.534 2.087 1.00 10.69 C ATOM 349 CZ TYR A 25 23.599 27.249 1.963 1.00 9.79 C ATOM 350 OH TYR A 25 24.953 27.021 2.113 1.00 10.97 O ATOM 351 HA TYR A 25 18.525 26.850 3.110 1.00 0.00 H ATOM 352 HB3 TYR A 25 19.267 29.020 1.139 1.00 0.00 H ATOM 353 HB2 TYR A 25 18.980 27.295 0.812 1.00 0.00 H ATOM 354 HD2 TYR A 25 21.380 29.787 2.045 1.00 0.00 H ATOM 355 HE2 TYR A 25 23.798 29.359 2.291 1.00 0.00 H ATOM 356 HE1 TYR A 25 23.125 25.177 1.629 1.00 0.00 H ATOM 357 HD1 TYR A 25 20.698 25.608 1.369 1.00 0.00 H ATOM 358 HH TYR A 25 25.139 26.056 1.996 1.00 0.00 H ATOM 359 H TYR A 25 16.891 28.662 1.667 1.00 0.00 H ATOM 360 N CYS A 26 19.228 29.997 3.886 1.00 9.28 N ATOM 361 CA CYS A 26 19.866 30.800 4.934 1.00 9.46 C ATOM 362 C CYS A 26 19.256 30.565 6.322 1.00 9.65 C ATOM 363 O CYS A 26 19.977 30.431 7.308 1.00 9.87 O ATOM 364 CB CYS A 26 19.867 32.286 4.558 1.00 9.73 C ATOM 365 SG CYS A 26 20.975 32.680 3.191 1.00 9.60 S ATOM 366 HA CYS A 26 20.901 30.466 5.003 1.00 0.00 H ATOM 367 HB2 CYS A 26 20.175 32.863 5.430 1.00 0.00 H ATOM 368 HB3 CYS A 26 18.854 32.571 4.275 1.00 0.00 H ATOM 369 H CYS A 26 18.758 30.467 3.087 1.00 0.00 H ATOM 370 N ASN A 27 17.932 30.473 6.399 1.00 9.84 N ATOM 371 CA ASN A 27 17.288 30.174 7.673 1.00 10.56 C ATOM 372 C ASN A 27 17.848 28.907 8.300 1.00 10.82 C ATOM 373 O ASN A 27 18.146 28.881 9.491 1.00 11.93 O ATOM 374 CB ASN A 27 15.774 30.048 7.503 1.00 10.75 C ATOM 375 CG ASN A 27 15.132 31.353 7.106 1.00 10.96 C ATOM 376 OD1 ASN A 27 15.658 32.430 7.399 1.00 12.38 O ATOM 377 ND2 ASN A 27 13.996 31.270 6.422 1.00 11.11 N ATOM 378 HA ASN A 27 17.500 31.007 8.344 1.00 0.00 H ATOM 379 HB2 ASN A 27 15.568 29.307 6.731 1.00 0.00 H ATOM 380 HB3 ASN A 27 15.341 29.717 8.447 1.00 0.00 H ATOM 381 HD22 ASN A 27 13.590 30.339 6.198 1.00 0.00 H ATOM 382 HD21 ASN A 27 13.512 32.136 6.110 1.00 0.00 H ATOM 383 H ASN A 27 17.353 30.615 5.547 1.00 0.00 H ATOM 384 N LEU A 28 18.001 27.872 7.480 1.00 10.96 N ATOM 385 CA LEU A 28 18.471 26.568 7.945 1.00 11.02 C ATOM 386 C LEU A 28 19.957 26.602 8.267 1.00 10.87 C ATOM 387 O LEU A 28 20.388 26.106 9.317 1.00 10.75 O ATOM 388 CB LEU A 28 18.196 25.494 6.880 1.00 11.37 C ATOM 389 CG LEU A 28 16.743 25.127 6.555 1.00 14.05 C ATOM 390 CD1 LEU A 28 16.669 24.477 5.179 1.00 15.37 C ATOM 391 CD2 LEU A 28 16.173 24.189 7.583 1.00 16.36 C ATOM 392 HA LEU A 28 17.927 26.322 8.857 1.00 0.00 H ATOM 393 HB2 LEU A 28 18.654 25.838 5.953 1.00 0.00 H ATOM 394 HB3 LEU A 28 18.690 24.581 7.211 1.00 0.00 H ATOM 395 HG LEU A 28 16.155 26.045 6.564 1.00 0.00 H ATOM 396 HD21 LEU A 28 16.765 23.274 7.606 1.00 0.00 H ATOM 397 HD22 LEU A 28 16.200 24.666 8.563 1.00 0.00 H ATOM 398 HD23 LEU A 28 15.142 23.949 7.322 1.00 0.00 H ATOM 399 HD11 LEU A 28 17.041 25.174 4.429 1.00 0.00 H ATOM 400 HD12 LEU A 28 17.279 23.574 5.172 1.00 0.00 H ATOM 401 HD13 LEU A 28 15.634 24.219 4.956 1.00 0.00 H ATOM 402 H LEU A 28 17.778 27.994 6.471 1.00 0.00 H ATOM 403 N MET A 29 20.735 27.178 7.353 1.00 10.54 N ATOM 404 CA MET A 29 22.190 27.187 7.468 1.00 10.97 C ATOM 405 C MET A 29 22.684 28.059 8.613 1.00 10.24 C ATOM 406 O MET A 29 23.590 27.660 9.352 1.00 10.74 O ATOM 407 CB MET A 29 22.832 27.662 6.166 1.00 11.37 C ATOM 408 CG MET A 29 22.991 26.589 5.128 1.00 13.34 C ATOM 409 SD MET A 29 24.152 25.294 5.637 1.00 14.83 S ATOM 410 CE MET A 29 25.738 26.012 5.184 1.00 15.02 C ATOM 411 HA MET A 29 22.485 26.159 7.677 1.00 0.00 H ATOM 412 HB2 MET A 29 22.210 28.453 5.747 1.00 0.00 H ATOM 413 HB3 MET A 29 23.819 28.062 6.398 1.00 0.00 H ATOM 414 HG2 MET A 29 23.357 27.044 4.208 1.00 0.00 H ATOM 415 HG3 MET A 29 22.018 26.133 4.944 1.00 0.00 H ATOM 416 HE1 MET A 29 25.755 26.204 4.111 1.00 0.00 H ATOM 417 HE2 MET A 29 25.879 26.948 5.724 1.00 0.00 H ATOM 418 HE3 MET A 29 26.537 25.318 5.443 1.00 0.00 H ATOM 419 H MET A 29 20.292 27.636 6.531 1.00 0.00 H ATOM 420 N MET A 30 22.094 29.244 8.761 1.00 10.27 N ATOM 421 CA MET A 30 22.479 30.146 9.837 1.00 10.07 C ATOM 422 C MET A 30 22.214 29.486 11.182 1.00 10.23 C ATOM 423 O MET A 30 22.970 29.679 12.129 1.00 10.78 O ATOM 424 CB MET A 30 21.742 31.479 9.725 1.00 9.86 C ATOM 425 CG MET A 30 22.142 32.297 8.493 1.00 9.97 C ATOM 426 SD MET A 30 23.881 32.770 8.510 1.00 10.02 S ATOM 427 CE MET A 30 23.831 34.087 9.732 1.00 9.89 C ATOM 428 HA MET A 30 23.546 30.355 9.754 1.00 0.00 H ATOM 429 HB2 MET A 30 20.672 31.279 9.674 1.00 0.00 H ATOM 430 HB3 MET A 30 21.958 32.069 10.616 1.00 0.00 H ATOM 431 HG2 MET A 30 21.534 33.201 8.462 1.00 0.00 H ATOM 432 HG3 MET A 30 21.951 31.701 7.601 1.00 0.00 H ATOM 433 HE1 MET A 30 23.160 34.874 9.389 1.00 0.00 H ATOM 434 HE2 MET A 30 23.470 33.688 10.680 1.00 0.00 H ATOM 435 HE3 MET A 30 24.833 34.495 9.866 1.00 0.00 H ATOM 436 H MET A 30 21.346 29.530 8.097 1.00 0.00 H ATOM 437 N CYS A 31 21.141 28.707 11.251 1.00 9.90 N ATOM 438 CA CYS A 31 20.834 27.948 12.453 1.00 9.79 C ATOM 439 C CYS A 31 21.845 26.822 12.661 1.00 10.07 C ATOM 440 O CYS A 31 22.459 26.719 13.725 1.00 10.56 O ATOM 441 CB CYS A 31 19.417 27.390 12.379 1.00 9.99 C ATOM 442 SG CYS A 31 19.006 26.371 13.796 1.00 9.37 S ATOM 443 HA CYS A 31 20.899 28.621 13.308 1.00 0.00 H ATOM 444 HB2 CYS A 31 19.325 26.787 11.476 1.00 0.00 H ATOM 445 HB3 CYS A 31 18.715 28.223 12.331 1.00 0.00 H ATOM 446 H CYS A 31 20.507 28.638 10.429 1.00 0.00 H ATOM 447 N CYS A 32 22.017 25.989 11.636 1.00 10.16 N ATOM 448 CA CYS A 32 22.918 24.843 11.704 1.00 9.92 C ATOM 449 C CYS A 32 24.351 25.242 12.058 1.00 10.06 C ATOM 450 O CYS A 32 25.000 24.590 12.882 1.00 9.83 O ATOM 451 CB CYS A 32 22.884 24.062 10.382 1.00 9.95 C ATOM 452 SG CYS A 32 24.187 22.835 10.208 1.00 10.59 S ATOM 453 HA CYS A 32 22.563 24.201 12.510 1.00 0.00 H ATOM 454 HB2 CYS A 32 22.975 24.775 9.562 1.00 0.00 H ATOM 455 HB3 CYS A 32 21.923 23.551 10.312 1.00 0.00 H ATOM 456 H CYS A 32 21.490 26.161 10.756 1.00 0.00 H ATOM 457 N ARG A 33 24.828 26.322 11.441 1.00 10.20 N ATOM 458 CA ARG A 33 26.214 26.752 11.608 1.00 10.20 C ATOM 459 C ARG A 33 26.395 27.710 12.785 1.00 10.62 C ATOM 460 O ARG A 33 27.431 28.381 12.903 1.00 10.57 O ATOM 461 CB ARG A 33 26.763 27.336 10.304 1.00 10.27 C ATOM 462 CG ARG A 33 26.735 26.364 9.127 1.00 10.13 C ATOM 463 CD ARG A 33 27.634 25.151 9.346 1.00 9.95 C ATOM 464 NE ARG A 33 27.738 24.333 8.136 1.00 10.42 N ATOM 465 CZ ARG A 33 28.557 24.592 7.123 1.00 10.59 C ATOM 466 NH1 ARG A 33 29.359 25.655 7.164 1.00 9.70 N ATOM 467 NH2 ARG A 33 28.578 23.789 6.065 1.00 11.09 N ATOM 468 HA ARG A 33 26.800 25.866 11.852 1.00 0.00 H ATOM 469 HB2 ARG A 33 26.166 28.210 10.042 1.00 0.00 H ATOM 470 HB3 ARG A 33 27.796 27.640 10.473 1.00 0.00 H ATOM 471 HG2 ARG A 33 25.711 26.019 8.983 1.00 0.00 H ATOM 472 HG3 ARG A 33 27.069 26.889 8.232 1.00 0.00 H ATOM 473 HD2 ARG A 33 27.219 24.543 10.150 1.00 0.00 H ATOM 474 HD3 ARG A 33 28.629 25.494 9.628 1.00 0.00 H ATOM 475 HE ARG A 33 27.130 23.493 8.065 1.00 0.00 H ATOM 476 HH12 ARG A 33 29.999 25.855 6.369 1.00 0.00 H ATOM 477 HH11 ARG A 33 29.345 26.285 7.991 1.00 0.00 H ATOM 478 HH22 ARG A 33 29.219 23.991 5.271 1.00 0.00 H ATOM 479 HH21 ARG A 33 27.953 22.958 6.030 1.00 0.00 H ATOM 480 H ARG A 33 24.197 26.873 10.825 1.00 0.00 H ATOM 481 N LYS A 34 25.375 27.757 13.644 1.00 11.32 N ATOM 482 CA LYS A 34 25.467 28.375 14.976 1.00 12.33 C ATOM 483 C LYS A 34 25.633 29.894 14.941 1.00 12.63 C ATOM 484 O LYS A 34 26.359 30.473 15.764 1.00 13.38 O ATOM 485 CB LYS A 34 26.586 27.721 15.799 1.00 12.10 C ATOM 486 CG LYS A 34 26.452 26.214 15.975 1.00 12.03 C ATOM 487 CD LYS A 34 27.651 25.652 16.725 1.00 13.33 C ATOM 488 CE LYS A 34 27.571 24.139 16.858 1.00 14.51 C ATOM 489 NZ LYS A 34 28.665 23.587 17.710 1.00 15.81 N ATOM 490 HA LYS A 34 24.508 28.192 15.461 1.00 0.00 H ATOM 491 HB2 LYS A 34 27.535 27.922 15.301 1.00 0.00 H ATOM 492 HB3 LYS A 34 26.592 28.179 16.788 1.00 0.00 H ATOM 493 HG2 LYS A 34 25.544 25.998 16.538 1.00 0.00 H ATOM 494 HG3 LYS A 34 26.390 25.743 14.994 1.00 0.00 H ATOM 495 HD2 LYS A 34 28.561 25.912 16.184 1.00 0.00 H ATOM 496 HD3 LYS A 34 27.684 26.093 17.721 1.00 0.00 H ATOM 497 HE2 LYS A 34 27.642 23.695 15.865 1.00 0.00 H ATOM 498 HE3 LYS A 34 26.612 23.876 17.304 1.00 0.00 H ATOM 499 HZ1 LYS A 34 29.585 23.826 17.288 1.00 0.00 H ATOM 500 HZ2 LYS A 34 28.602 23.999 18.663 1.00 0.00 H ATOM 501 HZ3 LYS A 34 28.568 22.553 17.770 1.00 0.00 H ATOM 502 H LYS A 34 24.469 27.335 13.357 1.00 0.00 H ATOM 503 N MET A 35 24.944 30.543 14.006 1.00 12.98 N ATOM 504 CA MET A 35 24.983 32.001 13.924 1.00 13.37 C ATOM 505 C MET A 35 23.656 32.661 14.301 1.00 14.13 C ATOM 506 O MET A 35 23.420 33.830 13.985 1.00 13.93 O ATOM 507 CB MET A 35 25.486 32.451 12.554 1.00 13.35 C ATOM 508 CG MET A 35 26.981 32.253 12.405 1.00 13.60 C ATOM 509 SD MET A 35 27.551 32.518 10.729 1.00 12.65 S ATOM 510 CE MET A 35 27.020 30.988 9.938 1.00 13.01 C ATOM 511 HA MET A 35 25.696 32.344 14.674 1.00 0.00 H ATOM 512 HB2 MET A 35 24.976 31.873 11.784 1.00 0.00 H ATOM 513 HB3 MET A 35 25.256 33.509 12.424 1.00 0.00 H ATOM 514 HG2 MET A 35 27.229 31.234 12.701 1.00 0.00 H ATOM 515 HG3 MET A 35 27.493 32.955 13.063 1.00 0.00 H ATOM 516 HE1 MET A 35 27.497 30.141 10.431 1.00 0.00 H ATOM 517 HE2 MET A 35 25.937 30.895 10.020 1.00 0.00 H ATOM 518 HE3 MET A 35 27.306 31.006 8.886 1.00 0.00 H ATOM 519 H MET A 35 24.370 30.006 13.325 1.00 0.00 H ATOM 520 N THR A 36 22.809 31.908 15.003 1.00 14.67 N ATOM 521 CA THR A 36 21.535 32.433 15.508 1.00 15.22 C ATOM 522 C THR A 36 21.368 32.186 17.011 1.00 15.99 C ATOM 523 O THR A 36 20.253 32.250 17.537 1.00 16.32 O ATOM 524 CB THR A 36 20.322 31.836 14.757 1.00 14.95 C ATOM 525 OG1 THR A 36 20.293 30.416 14.948 1.00 14.08 O ATOM 526 CG2 THR A 36 20.377 32.157 13.258 1.00 14.93 C ATOM 527 HA THR A 36 21.565 33.508 15.328 1.00 0.00 H ATOM 528 HB THR A 36 19.415 32.284 15.163 1.00 0.00 H ATOM 529 HG1 THR A 36 19.516 30.035 14.467 1.00 0.00 H ATOM 530 HG23 THR A 36 20.399 33.238 13.120 1.00 0.00 H ATOM 531 HG21 THR A 36 21.275 31.716 12.826 1.00 0.00 H ATOM 532 HG22 THR A 36 19.496 31.744 12.767 1.00 0.00 H ATOM 533 H THR A 36 23.059 30.918 15.199 1.00 0.00 H ATOM 534 N GLN A 37 22.476 31.908 17.699 1.00 16.71 N ATOM 535 CA GLN A 37 22.466 31.748 19.152 1.00 17.68 C ATOM 536 C GLN A 37 22.789 33.080 19.826 1.00 17.34 C ATOM 537 O GLN A 37 23.820 33.693 19.531 1.00 18.09 O ATOM 538 CB GLN A 37 23.463 30.668 19.586 1.00 17.68 C ATOM 539 CG GLN A 37 23.167 29.286 19.012 1.00 18.52 C ATOM 540 CD GLN A 37 24.084 28.207 19.556 1.00 19.05 C ATOM 541 OE1 GLN A 37 23.633 27.273 20.222 1.00 20.41 O ATOM 542 NE2 GLN A 37 25.380 28.332 19.282 1.00 20.84 N ATOM 543 HA GLN A 37 21.470 31.431 19.461 1.00 0.00 H ATOM 544 HB2 GLN A 37 24.459 30.969 19.260 1.00 0.00 H ATOM 545 HB3 GLN A 37 23.443 30.600 20.674 1.00 0.00 H ATOM 546 HG2 GLN A 37 22.138 29.022 19.255 1.00 0.00 H ATOM 547 HG3 GLN A 37 23.284 29.327 17.929 1.00 0.00 H ATOM 548 HE22 GLN A 37 25.717 29.137 18.716 1.00 0.00 H ATOM 549 HE21 GLN A 37 26.056 27.625 19.634 1.00 0.00 H ATOM 550 H GLN A 37 23.375 31.802 17.186 1.00 0.00 H ATOM 551 N GLY A 38 21.897 33.529 20.706 1.00 16.98 N ATOM 552 CA GLY A 38 22.074 34.785 21.443 1.00 16.31 C ATOM 553 C GLY A 38 21.521 35.987 20.701 1.00 15.95 C ATOM 554 O GLY A 38 20.857 36.843 21.288 1.00 16.11 O ATOM 555 HA3 GLY A 38 23.139 34.941 21.614 1.00 0.00 H ATOM 556 HA2 GLY A 38 21.562 34.701 22.401 1.00 0.00 H ATOM 557 H GLY A 38 21.039 32.966 20.878 1.00 0.00 H ATOM 558 N LYS A 39 21.810 36.049 19.403 1.00 15.42 N ATOM 559 CA LYS A 39 21.308 37.097 18.515 1.00 14.95 C ATOM 560 C LYS A 39 21.354 36.572 17.082 1.00 13.82 C ATOM 561 O LYS A 39 22.031 35.580 16.806 1.00 14.41 O ATOM 562 CB LYS A 39 22.118 38.403 18.673 1.00 15.60 C ATOM 563 CG LYS A 39 23.387 38.551 17.815 1.00 16.89 C ATOM 564 CD LYS A 39 24.517 37.599 18.218 1.00 19.40 C ATOM 565 CE LYS A 39 25.786 37.826 17.389 1.00 19.03 C ATOM 566 NZ LYS A 39 25.649 37.423 15.951 1.00 21.49 N ATOM 567 HA LYS A 39 20.279 37.343 18.778 1.00 0.00 H ATOM 568 HB2 LYS A 39 21.455 39.232 18.425 1.00 0.00 H ATOM 569 HB3 LYS A 39 22.418 38.479 19.718 1.00 0.00 H ATOM 570 HG2 LYS A 39 23.125 38.354 16.776 1.00 0.00 H ATOM 571 HG3 LYS A 39 23.749 39.575 17.909 1.00 0.00 H ATOM 572 HD2 LYS A 39 24.752 37.757 19.271 1.00 0.00 H ATOM 573 HD3 LYS A 39 24.181 36.572 18.072 1.00 0.00 H ATOM 574 HE2 LYS A 39 26.595 37.247 17.833 1.00 0.00 H ATOM 575 HE3 LYS A 39 26.037 38.886 17.427 1.00 0.00 H ATOM 576 HZ1 LYS A 39 25.421 36.410 15.896 1.00 0.00 H ATOM 577 HZ2 LYS A 39 24.887 37.976 15.508 1.00 0.00 H ATOM 578 HZ3 LYS A 39 26.544 37.605 15.454 1.00 0.00 H ATOM 579 H LYS A 39 22.425 35.314 18.999 1.00 0.00 H ATOM 580 N CYS A 40 20.623 37.217 16.179 1.00 12.53 N ATOM 581 CA CYS A 40 20.696 36.863 14.769 1.00 11.19 C ATOM 582 C CYS A 40 21.877 37.588 14.154 1.00 10.54 C ATOM 583 O CYS A 40 21.917 38.820 14.152 1.00 10.59 O ATOM 584 CB CYS A 40 19.429 37.272 14.022 1.00 11.51 C ATOM 585 SG CYS A 40 17.879 36.773 14.775 1.00 10.41 S ATOM 586 HA CYS A 40 20.807 35.782 14.688 1.00 0.00 H ATOM 587 HB2 CYS A 40 19.473 36.833 13.025 1.00 0.00 H ATOM 588 HB3 CYS A 40 19.426 38.359 13.940 1.00 0.00 H ATOM 589 H CYS A 40 19.991 37.984 16.484 1.00 0.00 H ATOM 590 N LYS A 41 22.842 36.836 13.631 1.00 9.61 N ATOM 591 CA LYS A 41 23.912 37.470 12.883 1.00 8.91 C ATOM 592 C LYS A 41 23.266 38.137 11.665 1.00 8.81 C ATOM 593 O LYS A 41 22.583 37.469 10.896 1.00 9.00 O ATOM 594 CB LYS A 41 24.975 36.453 12.467 1.00 8.54 C ATOM 595 CG LYS A 41 26.148 37.089 11.755 1.00 8.37 C ATOM 596 CD LYS A 41 27.229 36.080 11.459 1.00 7.87 C ATOM 597 CE LYS A 41 28.402 36.744 10.765 1.00 7.98 C ATOM 598 NZ LYS A 41 29.505 35.784 10.443 1.00 7.49 N ATOM 599 HA LYS A 41 24.427 38.210 13.496 1.00 0.00 H ATOM 600 HB2 LYS A 41 25.342 35.947 13.360 1.00 0.00 H ATOM 601 HB3 LYS A 41 24.517 35.723 11.800 1.00 0.00 H ATOM 602 HG2 LYS A 41 25.801 37.522 10.817 1.00 0.00 H ATOM 603 HG3 LYS A 41 26.561 37.876 12.386 1.00 0.00 H ATOM 604 HD2 LYS A 41 27.570 35.635 12.394 1.00 0.00 H ATOM 605 HD3 LYS A 41 26.825 35.300 10.813 1.00 0.00 H ATOM 606 HE2 LYS A 41 28.797 37.523 11.417 1.00 0.00 H ATOM 607 HE3 LYS A 41 28.049 37.193 9.837 1.00 0.00 H ATOM 608 HZ1 LYS A 41 29.857 35.355 11.322 1.00 0.00 H ATOM 609 HZ2 LYS A 41 29.142 35.040 9.813 1.00 0.00 H ATOM 610 HZ3 LYS A 41 30.279 36.293 9.970 1.00 0.00 H ATOM 611 H LYS A 41 22.830 35.804 13.757 1.00 0.00 H ATOM 612 N PRO A 42 23.451 39.463 11.508 1.00 8.61 N ATOM 613 CA PRO A 42 22.699 40.188 10.470 1.00 8.28 C ATOM 614 C PRO A 42 23.075 39.877 9.019 1.00 7.92 C ATOM 615 O PRO A 42 22.204 39.922 8.148 1.00 7.91 O ATOM 616 CB PRO A 42 22.952 41.668 10.803 1.00 8.32 C ATOM 617 CG PRO A 42 24.191 41.681 11.612 1.00 8.79 C ATOM 618 CD PRO A 42 24.331 40.350 12.291 1.00 9.08 C ATOM 619 HA PRO A 42 21.652 39.885 10.500 1.00 0.00 H ATOM 620 HD3 PRO A 42 25.364 40.003 12.257 1.00 0.00 H ATOM 621 HD2 PRO A 42 24.002 40.406 13.329 1.00 0.00 H ATOM 622 HG3 PRO A 42 24.134 42.471 12.360 1.00 0.00 H ATOM 623 HG2 PRO A 42 25.051 41.856 10.965 1.00 0.00 H ATOM 624 HB2 PRO A 42 23.086 42.247 9.890 1.00 0.00 H ATOM 625 HB3 PRO A 42 22.119 42.079 11.373 1.00 0.00 H ATOM 626 N VAL A 43 24.353 39.594 8.763 1.00 7.40 N ATOM 627 CA VAL A 43 24.855 39.367 7.405 1.00 7.19 C ATOM 628 C VAL A 43 25.865 38.235 7.453 1.00 6.93 C ATOM 629 O VAL A 43 26.760 38.242 8.285 1.00 7.43 O ATOM 630 CB VAL A 43 25.555 40.630 6.807 1.00 7.02 C ATOM 631 CG1 VAL A 43 26.085 40.352 5.405 1.00 7.32 C ATOM 632 CG2 VAL A 43 24.602 41.820 6.771 1.00 6.90 C ATOM 633 HA VAL A 43 24.003 39.127 6.769 1.00 0.00 H ATOM 634 HB VAL A 43 26.395 40.874 7.457 1.00 0.00 H ATOM 635 HG11 VAL A 43 26.809 39.538 5.446 1.00 0.00 H ATOM 636 HG12 VAL A 43 25.257 40.071 4.754 1.00 0.00 H ATOM 637 HG13 VAL A 43 26.566 41.249 5.015 1.00 0.00 H ATOM 638 HG21 VAL A 43 23.738 41.574 6.153 1.00 0.00 H ATOM 639 HG22 VAL A 43 24.272 42.050 7.784 1.00 0.00 H ATOM 640 HG23 VAL A 43 25.117 42.684 6.350 1.00 0.00 H ATOM 641 H VAL A 43 25.020 39.532 9.559 1.00 0.00 H ATOM 642 N ASN A 44 25.711 37.253 6.572 1.00 6.59 N ATOM 643 CA ASN A 44 26.700 36.184 6.479 1.00 6.13 C ATOM 644 C ASN A 44 26.734 35.578 5.089 1.00 6.42 C ATOM 645 O ASN A 44 25.694 35.367 4.471 1.00 6.49 O ATOM 646 CB ASN A 44 26.428 35.095 7.518 1.00 5.94 C ATOM 647 CG ASN A 44 27.577 34.115 7.641 1.00 6.49 C ATOM 648 OD1 ASN A 44 28.592 34.422 8.253 1.00 8.25 O ATOM 649 ND2 ASN A 44 27.421 32.932 7.058 1.00 5.86 N ATOM 650 HA ASN A 44 27.675 36.627 6.682 1.00 0.00 H ATOM 651 HB2 ASN A 44 26.265 35.568 8.487 1.00 0.00 H ATOM 652 HB3 ASN A 44 25.531 34.549 7.226 1.00 0.00 H ATOM 653 HD22 ASN A 44 26.541 32.715 6.549 1.00 0.00 H ATOM 654 HD21 ASN A 44 28.179 32.222 7.111 1.00 0.00 H ATOM 655 H ASN A 44 24.881 37.246 5.945 1.00 0.00 H ATOM 656 N THR A 45 27.944 35.308 4.610 1.00 5.79 N ATOM 657 CA THR A 45 28.156 34.708 3.300 1.00 5.54 C ATOM 658 C THR A 45 28.633 33.263 3.408 1.00 5.75 C ATOM 659 O THR A 45 29.552 32.963 4.181 1.00 5.12 O ATOM 660 CB THR A 45 29.189 35.534 2.492 1.00 5.36 C ATOM 661 OG1 THR A 45 28.691 36.868 2.330 1.00 5.79 O ATOM 662 CG2 THR A 45 29.456 34.911 1.121 1.00 6.08 C ATOM 663 HA THR A 45 27.196 34.711 2.783 1.00 0.00 H ATOM 664 HB THR A 45 30.131 35.545 3.040 1.00 0.00 H ATOM 665 HG1 THR A 45 27.829 36.840 1.844 1.00 0.00 H ATOM 666 HG23 THR A 45 29.834 33.897 1.252 1.00 0.00 H ATOM 667 HG21 THR A 45 28.529 34.883 0.549 1.00 0.00 H ATOM 668 HG22 THR A 45 30.195 35.510 0.589 1.00 0.00 H ATOM 669 H THR A 45 28.774 35.535 5.195 1.00 0.00 H ATOM 670 N PHE A 46 28.003 32.383 2.629 1.00 5.78 N ATOM 671 CA PHE A 46 28.493 31.019 2.428 1.00 5.73 C ATOM 672 C PHE A 46 29.087 30.872 1.038 1.00 5.81 C ATOM 673 O PHE A 46 28.540 31.385 0.059 1.00 6.19 O ATOM 674 CB PHE A 46 27.382 29.980 2.636 1.00 5.99 C ATOM 675 CG PHE A 46 26.857 29.940 4.039 1.00 5.61 C ATOM 676 CD1 PHE A 46 27.545 29.248 5.037 1.00 4.70 C ATOM 677 CD2 PHE A 46 25.673 30.597 4.364 1.00 5.94 C ATOM 678 CE1 PHE A 46 27.057 29.219 6.346 1.00 6.02 C ATOM 679 CE2 PHE A 46 25.176 30.573 5.667 1.00 5.88 C ATOM 680 CZ PHE A 46 25.864 29.877 6.656 1.00 6.44 C ATOM 681 HA PHE A 46 29.267 30.835 3.173 1.00 0.00 H ATOM 682 HB2 PHE A 46 26.557 30.218 1.965 1.00 0.00 H ATOM 683 HB3 PHE A 46 27.779 28.996 2.387 1.00 0.00 H ATOM 684 HD2 PHE A 46 25.128 31.137 3.590 1.00 0.00 H ATOM 685 HE2 PHE A 46 24.252 31.098 5.910 1.00 0.00 H ATOM 686 HZ PHE A 46 25.472 29.845 7.673 1.00 0.00 H ATOM 687 HE1 PHE A 46 27.605 28.685 7.122 1.00 0.00 H ATOM 688 HD1 PHE A 46 28.470 28.726 4.793 1.00 0.00 H ATOM 689 H PHE A 46 27.130 32.677 2.146 1.00 0.00 H ATOM 690 N VAL A 47 30.214 30.176 0.961 1.00 5.67 N ATOM 691 CA VAL A 47 30.931 29.998 -0.296 1.00 5.94 C ATOM 692 C VAL A 47 30.794 28.545 -0.758 1.00 6.13 C ATOM 693 O VAL A 47 31.043 27.615 0.015 1.00 5.72 O ATOM 694 CB VAL A 47 32.423 30.344 -0.117 1.00 5.96 C ATOM 695 CG1 VAL A 47 33.190 30.127 -1.418 1.00 6.18 C ATOM 696 CG2 VAL A 47 32.585 31.786 0.408 1.00 6.28 C ATOM 697 HA VAL A 47 30.503 30.665 -1.045 1.00 0.00 H ATOM 698 HB VAL A 47 32.849 29.671 0.627 1.00 0.00 H ATOM 699 HG11 VAL A 47 33.105 29.083 -1.719 1.00 0.00 H ATOM 700 HG12 VAL A 47 32.772 30.766 -2.196 1.00 0.00 H ATOM 701 HG13 VAL A 47 34.240 30.378 -1.266 1.00 0.00 H ATOM 702 HG21 VAL A 47 32.143 32.482 -0.304 1.00 0.00 H ATOM 703 HG22 VAL A 47 32.082 31.880 1.370 1.00 0.00 H ATOM 704 HG23 VAL A 47 33.645 32.011 0.528 1.00 0.00 H ATOM 705 H VAL A 47 30.598 29.743 1.825 1.00 0.00 H ATOM 706 N HIS A 48 30.398 28.354 -2.014 1.00 6.64 N ATOM 707 CA HIS A 48 30.149 26.999 -2.533 1.00 7.51 C ATOM 708 C HIS A 48 31.297 26.371 -3.332 1.00 8.03 C ATOM 709 O HIS A 48 31.199 25.236 -3.826 1.00 8.52 O ATOM 710 CB HIS A 48 28.818 26.969 -3.287 1.00 7.75 C ATOM 711 CG HIS A 48 27.680 27.483 -2.469 1.00 7.61 C ATOM 712 ND1 HIS A 48 27.272 26.871 -1.301 1.00 8.27 N ATOM 713 CD2 HIS A 48 26.899 28.578 -2.613 1.00 8.58 C ATOM 714 CE1 HIS A 48 26.275 27.557 -0.774 1.00 8.50 C ATOM 715 NE2 HIS A 48 26.030 28.597 -1.550 1.00 8.39 N ATOM 716 HA HIS A 48 30.086 26.350 -1.659 1.00 0.00 H ATOM 717 HB2 HIS A 48 28.910 27.584 -4.182 1.00 0.00 H ATOM 718 HB3 HIS A 48 28.604 25.940 -3.575 1.00 0.00 H ATOM 719 HD2 HIS A 48 26.950 29.308 -3.421 1.00 0.00 H ATOM 720 HE1 HIS A 48 25.744 27.308 0.145 1.00 0.00 H ATOM 721 H HIS A 48 30.262 29.174 -2.639 1.00 0.00 H ATOM 722 N GLU A 49 32.395 27.105 -3.431 1.00 8.53 N ATOM 723 CA GLU A 49 33.583 26.627 -4.120 1.00 7.99 C ATOM 724 C GLU A 49 34.379 25.703 -3.211 1.00 7.61 C ATOM 725 O GLU A 49 34.208 25.712 -1.984 1.00 7.47 O ATOM 726 CB GLU A 49 34.445 27.811 -4.570 1.00 8.49 C ATOM 727 CG GLU A 49 33.712 28.852 -5.422 1.00 9.73 C ATOM 728 CD GLU A 49 33.265 28.352 -6.793 1.00 11.61 C ATOM 729 OE1 GLU A 49 33.743 27.289 -7.265 1.00 12.96 O ATOM 730 OE2 GLU A 49 32.430 29.042 -7.419 1.00 11.27 O ATOM 731 HA GLU A 49 33.278 26.066 -5.003 1.00 0.00 H ATOM 732 HB2 GLU A 49 34.828 28.310 -3.680 1.00 0.00 H ATOM 733 HB3 GLU A 49 35.279 27.421 -5.154 1.00 0.00 H ATOM 734 HG2 GLU A 49 32.828 29.178 -4.874 1.00 0.00 H ATOM 735 HG3 GLU A 49 34.380 29.701 -5.571 1.00 0.00 H ATOM 736 H GLU A 49 32.408 28.053 -3.003 1.00 0.00 H ATOM 737 N SER A 50 35.247 24.906 -3.822 1.00 5.46 N ATOM 738 CA SER A 50 36.171 24.054 -3.096 1.00 4.95 C ATOM 739 C SER A 50 36.974 24.861 -2.089 1.00 4.80 C ATOM 740 O SER A 50 37.360 25.999 -2.359 1.00 3.17 O ATOM 741 CB SER A 50 37.136 23.401 -4.066 1.00 5.37 C ATOM 742 OG SER A 50 37.912 24.397 -4.700 1.00 6.66 O ATOM 743 HA SER A 50 35.589 23.297 -2.570 1.00 0.00 H ATOM 744 HB2 SER A 50 36.576 22.844 -4.817 1.00 0.00 H ATOM 745 HB3 SER A 50 37.791 22.720 -3.524 1.00 0.00 H ATOM 746 HG SER A 50 37.315 25.015 -5.192 1.00 0.00 H ATOM 747 H SER A 50 35.266 24.891 -4.862 1.00 0.00 H ATOM 748 N LEU A 51 37.242 24.258 -0.938 1.00 5.54 N ATOM 749 CA LEU A 51 38.121 24.880 0.046 1.00 6.19 C ATOM 750 C LEU A 51 39.510 25.173 -0.535 1.00 6.09 C ATOM 751 O LEU A 51 40.159 26.135 -0.124 1.00 5.88 O ATOM 752 CB LEU A 51 38.228 24.011 1.304 1.00 6.46 C ATOM 753 CG LEU A 51 38.990 24.595 2.495 1.00 6.99 C ATOM 754 CD1 LEU A 51 38.397 25.924 2.962 1.00 8.59 C ATOM 755 CD2 LEU A 51 39.045 23.571 3.620 1.00 7.88 C ATOM 756 HA LEU A 51 37.677 25.836 0.323 1.00 0.00 H ATOM 757 HB2 LEU A 51 37.214 23.792 1.639 1.00 0.00 H ATOM 758 HB3 LEU A 51 38.724 23.083 1.020 1.00 0.00 H ATOM 759 HG LEU A 51 40.009 24.817 2.176 1.00 0.00 H ATOM 760 HD21 LEU A 51 38.031 23.317 3.928 1.00 0.00 H ATOM 761 HD22 LEU A 51 39.555 22.674 3.268 1.00 0.00 H ATOM 762 HD23 LEU A 51 39.589 23.991 4.466 1.00 0.00 H ATOM 763 HD11 LEU A 51 38.438 26.645 2.146 1.00 0.00 H ATOM 764 HD12 LEU A 51 37.360 25.772 3.263 1.00 0.00 H ATOM 765 HD13 LEU A 51 38.971 26.299 3.809 1.00 0.00 H ATOM 766 H LEU A 51 36.820 23.330 -0.735 1.00 0.00 H ATOM 767 N ALA A 52 39.958 24.363 -1.497 1.00 5.79 N ATOM 768 CA ALA A 52 41.232 24.624 -2.172 1.00 6.26 C ATOM 769 C ALA A 52 41.228 25.980 -2.871 1.00 6.58 C ATOM 770 O ALA A 52 42.210 26.720 -2.796 1.00 6.76 O ATOM 771 CB ALA A 52 41.562 23.511 -3.167 1.00 6.20 C ATOM 772 HA ALA A 52 42.007 24.644 -1.406 1.00 0.00 H ATOM 773 HB1 ALA A 52 41.634 22.561 -2.637 1.00 0.00 H ATOM 774 HB2 ALA A 52 40.774 23.451 -3.917 1.00 0.00 H ATOM 775 HB3 ALA A 52 42.512 23.730 -3.653 1.00 0.00 H ATOM 776 H ALA A 52 39.394 23.534 -1.772 1.00 0.00 H ATOM 777 N ASP A 53 40.126 26.296 -3.550 1.00 7.04 N ATOM 778 CA ASP A 53 39.999 27.574 -4.253 1.00 7.53 C ATOM 779 C ASP A 53 39.933 28.744 -3.278 1.00 7.38 C ATOM 780 O ASP A 53 40.504 29.800 -3.541 1.00 7.48 O ATOM 781 CB ASP A 53 38.786 27.587 -5.189 1.00 8.07 C ATOM 782 CG ASP A 53 39.002 26.751 -6.444 1.00 9.54 C ATOM 783 OD1 ASP A 53 40.154 26.388 -6.759 1.00 12.72 O ATOM 784 OD2 ASP A 53 38.004 26.460 -7.120 1.00 13.27 O ATOM 785 HA ASP A 53 40.895 27.690 -4.862 1.00 0.00 H ATOM 786 HB2 ASP A 53 37.925 27.191 -4.650 1.00 0.00 H ATOM 787 HB3 ASP A 53 38.585 28.616 -5.486 1.00 0.00 H ATOM 788 H ASP A 53 39.337 25.619 -3.581 1.00 0.00 H ATOM 789 N VAL A 54 39.254 28.546 -2.147 1.00 6.72 N ATOM 790 CA VAL A 54 39.138 29.599 -1.136 1.00 6.72 C ATOM 791 C VAL A 54 40.486 29.819 -0.448 1.00 6.59 C ATOM 792 O VAL A 54 40.918 30.964 -0.277 1.00 6.82 O ATOM 793 CB VAL A 54 37.999 29.317 -0.130 1.00 6.91 C ATOM 794 CG1 VAL A 54 37.913 30.437 0.909 1.00 7.75 C ATOM 795 CG2 VAL A 54 36.668 29.185 -0.878 1.00 6.90 C ATOM 796 HA VAL A 54 38.864 30.527 -1.638 1.00 0.00 H ATOM 797 HB VAL A 54 38.211 28.382 0.389 1.00 0.00 H ATOM 798 HG11 VAL A 54 38.857 30.502 1.450 1.00 0.00 H ATOM 799 HG12 VAL A 54 37.716 31.383 0.406 1.00 0.00 H ATOM 800 HG13 VAL A 54 37.105 30.221 1.608 1.00 0.00 H ATOM 801 HG21 VAL A 54 36.458 30.113 -1.411 1.00 0.00 H ATOM 802 HG22 VAL A 54 36.733 28.362 -1.590 1.00 0.00 H ATOM 803 HG23 VAL A 54 35.869 28.986 -0.163 1.00 0.00 H ATOM 804 H VAL A 54 38.798 27.626 -1.980 1.00 0.00 H ATOM 805 N LYS A 55 41.163 28.727 -0.089 1.00 6.45 N ATOM 806 CA LYS A 55 42.510 28.832 0.482 1.00 6.48 C ATOM 807 C LYS A 55 43.475 29.531 -0.475 1.00 6.27 C ATOM 808 O LYS A 55 44.335 30.300 -0.035 1.00 6.31 O ATOM 809 CB LYS A 55 43.046 27.454 0.884 1.00 6.48 C ATOM 810 CG LYS A 55 42.473 26.938 2.184 1.00 7.57 C ATOM 811 CD LYS A 55 43.019 25.553 2.519 1.00 8.97 C ATOM 812 CE LYS A 55 42.481 25.092 3.862 1.00 11.20 C ATOM 813 NZ LYS A 55 42.818 23.667 4.163 1.00 13.45 N ATOM 814 HA LYS A 55 42.435 29.445 1.380 1.00 0.00 H ATOM 815 HB2 LYS A 55 42.801 26.745 0.093 1.00 0.00 H ATOM 816 HB3 LYS A 55 44.129 27.522 0.987 1.00 0.00 H ATOM 817 HG2 LYS A 55 42.736 27.627 2.987 1.00 0.00 H ATOM 818 HG3 LYS A 55 41.388 26.881 2.096 1.00 0.00 H ATOM 819 HD2 LYS A 55 42.713 24.848 1.746 1.00 0.00 H ATOM 820 HD3 LYS A 55 44.107 25.594 2.561 1.00 0.00 H ATOM 821 HE2 LYS A 55 41.396 25.200 3.859 1.00 0.00 H ATOM 822 HE3 LYS A 55 42.906 25.723 4.643 1.00 0.00 H ATOM 823 HZ1 LYS A 55 42.410 23.053 3.429 1.00 0.00 H ATOM 824 HZ2 LYS A 55 43.852 23.552 4.178 1.00 0.00 H ATOM 825 HZ3 LYS A 55 42.426 23.408 5.091 1.00 0.00 H ATOM 826 H LYS A 55 40.730 27.790 -0.216 1.00 0.00 H ATOM 827 N ALA A 56 43.315 29.284 -1.778 1.00 5.99 N ATOM 828 CA ALA A 56 44.190 29.875 -2.794 1.00 6.33 C ATOM 829 C ALA A 56 44.112 31.405 -2.808 1.00 6.32 C ATOM 830 O ALA A 56 45.032 32.064 -3.278 1.00 7.09 O ATOM 831 CB ALA A 56 43.869 29.317 -4.177 1.00 5.75 C ATOM 832 HA ALA A 56 45.212 29.602 -2.529 1.00 0.00 H ATOM 833 HB1 ALA A 56 44.013 28.237 -4.174 1.00 0.00 H ATOM 834 HB2 ALA A 56 42.833 29.546 -4.428 1.00 0.00 H ATOM 835 HB3 ALA A 56 44.532 29.771 -4.913 1.00 0.00 H ATOM 836 H ALA A 56 42.546 28.653 -2.081 1.00 0.00 H ATOM 837 N VAL A 57 43.019 31.961 -2.285 1.00 6.29 N ATOM 838 CA VAL A 57 42.828 33.416 -2.276 1.00 6.33 C ATOM 839 C VAL A 57 43.923 34.101 -1.447 1.00 6.39 C ATOM 840 O VAL A 57 44.330 35.227 -1.749 1.00 6.49 O ATOM 841 CB VAL A 57 41.406 33.799 -1.791 1.00 6.24 C ATOM 842 CG1 VAL A 57 41.232 35.326 -1.720 1.00 6.02 C ATOM 843 CG2 VAL A 57 40.351 33.179 -2.710 1.00 6.46 C ATOM 844 HA VAL A 57 42.917 33.777 -3.301 1.00 0.00 H ATOM 845 HB VAL A 57 41.273 33.404 -0.784 1.00 0.00 H ATOM 846 HG11 VAL A 57 41.960 35.741 -1.023 1.00 0.00 H ATOM 847 HG12 VAL A 57 41.389 35.755 -2.710 1.00 0.00 H ATOM 848 HG13 VAL A 57 40.224 35.560 -1.377 1.00 0.00 H ATOM 849 HG21 VAL A 57 40.494 33.548 -3.726 1.00 0.00 H ATOM 850 HG22 VAL A 57 40.453 32.094 -2.698 1.00 0.00 H ATOM 851 HG23 VAL A 57 39.357 33.456 -2.358 1.00 0.00 H ATOM 852 H VAL A 57 42.285 31.350 -1.874 1.00 0.00 H ATOM 853 N CYS A 58 44.421 33.389 -0.437 1.00 6.72 N ATOM 854 CA CYS A 58 45.486 33.883 0.432 1.00 7.13 C ATOM 855 C CYS A 58 46.802 34.123 -0.309 1.00 7.72 C ATOM 856 O CYS A 58 47.720 34.718 0.253 1.00 7.86 O ATOM 857 CB CYS A 58 45.700 32.932 1.607 1.00 7.30 C ATOM 858 SG CYS A 58 44.255 32.786 2.671 1.00 8.24 S ATOM 859 HA CYS A 58 45.158 34.853 0.806 1.00 0.00 H ATOM 860 HB2 CYS A 58 46.535 33.300 2.204 1.00 0.00 H ATOM 861 HB3 CYS A 58 45.943 31.945 1.214 1.00 0.00 H ATOM 862 H CYS A 58 44.035 32.440 -0.260 1.00 0.00 H ATOM 863 N SER A 59 46.885 33.665 -1.559 1.00 7.71 N ATOM 864 CA SER A 59 48.042 33.940 -2.415 1.00 8.53 C ATOM 865 C SER A 59 47.670 34.797 -3.620 1.00 8.68 C ATOM 866 O SER A 59 48.447 34.899 -4.570 1.00 8.12 O ATOM 867 CB SER A 59 48.729 32.648 -2.857 1.00 8.79 C ATOM 868 OG SER A 59 47.857 31.835 -3.611 1.00 10.15 O ATOM 869 HA SER A 59 48.750 34.511 -1.815 1.00 0.00 H ATOM 870 HB2 SER A 59 49.053 32.098 -1.974 1.00 0.00 H ATOM 871 HB3 SER A 59 49.597 32.898 -3.466 1.00 0.00 H ATOM 872 HG SER A 59 47.068 31.600 -3.061 1.00 0.00 H ATOM 873 H SER A 59 46.103 33.094 -1.938 1.00 0.00 H ATOM 874 N GLN A 60 46.488 35.409 -3.576 1.00 9.49 N ATOM 875 CA GLN A 60 45.989 36.200 -4.705 1.00 10.54 C ATOM 876 C GLN A 60 46.136 37.712 -4.479 1.00 11.25 C ATOM 877 O GLN A 60 47.174 38.146 -3.987 1.00 11.91 O ATOM 878 CB GLN A 60 44.577 35.742 -5.112 1.00 10.28 C ATOM 879 CG GLN A 60 44.631 34.311 -5.681 1.00 9.77 C ATOM 880 CD GLN A 60 43.286 33.670 -5.985 1.00 10.75 C ATOM 881 OE1 GLN A 60 42.235 34.306 -5.925 1.00 10.85 O ATOM 882 NE2 GLN A 60 43.323 32.388 -6.335 1.00 10.47 N ATOM 883 HA GLN A 60 46.625 36.005 -5.568 1.00 0.00 H ATOM 884 HB2 GLN A 60 43.926 35.759 -4.238 1.00 0.00 H ATOM 885 HB3 GLN A 60 44.183 36.418 -5.871 1.00 0.00 H ATOM 886 HG2 GLN A 60 45.205 34.340 -6.607 1.00 0.00 H ATOM 887 HG3 GLN A 60 45.146 33.681 -4.955 1.00 0.00 H ATOM 888 HE22 GLN A 60 44.233 31.886 -6.374 1.00 0.00 H ATOM 889 HE21 GLN A 60 42.442 31.888 -6.570 1.00 0.00 H ATOM 890 H GLN A 60 45.904 35.324 -2.719 1.00 0.00 H ATOM 891 N LYS A 61 45.126 38.502 -4.840 1.00 12.31 N ATOM 892 CA LYS A 61 45.248 39.968 -4.833 1.00 13.26 C ATOM 893 C LYS A 61 45.132 40.552 -3.420 1.00 13.17 C ATOM 894 O LYS A 61 44.090 40.441 -2.788 1.00 13.31 O ATOM 895 CB LYS A 61 44.197 40.588 -5.770 1.00 13.33 C ATOM 896 CG LYS A 61 44.184 42.117 -5.827 1.00 14.68 C ATOM 897 CD LYS A 61 43.008 42.630 -6.662 1.00 15.00 C ATOM 898 CE LYS A 61 42.757 44.114 -6.422 1.00 17.48 C ATOM 899 NZ LYS A 61 41.468 44.573 -7.020 1.00 19.05 N ATOM 900 HA LYS A 61 46.244 40.220 -5.197 1.00 0.00 H ATOM 901 HB2 LYS A 61 44.384 40.216 -6.777 1.00 0.00 H ATOM 902 HB3 LYS A 61 43.213 40.256 -5.438 1.00 0.00 H ATOM 903 HG2 LYS A 61 44.099 42.510 -4.814 1.00 0.00 H ATOM 904 HG3 LYS A 61 45.116 42.464 -6.273 1.00 0.00 H ATOM 905 HD2 LYS A 61 43.229 42.474 -7.718 1.00 0.00 H ATOM 906 HD3 LYS A 61 42.112 42.071 -6.393 1.00 0.00 H ATOM 907 HE2 LYS A 61 43.573 44.684 -6.866 1.00 0.00 H ATOM 908 HE3 LYS A 61 42.730 44.296 -5.348 1.00 0.00 H ATOM 909 HZ1 LYS A 61 41.486 44.410 -8.047 1.00 0.00 H ATOM 910 HZ2 LYS A 61 40.682 44.040 -6.597 1.00 0.00 H ATOM 911 HZ3 LYS A 61 41.341 45.588 -6.831 1.00 0.00 H ATOM 912 H LYS A 61 44.227 38.071 -5.135 1.00 0.00 H ATOM 913 N LYS A 62 46.209 41.172 -2.935 1.00 13.06 N ATOM 914 CA LYS A 62 46.187 41.882 -1.649 1.00 13.09 C ATOM 915 C LYS A 62 45.251 43.090 -1.705 1.00 12.60 C ATOM 916 O LYS A 62 45.322 43.896 -2.639 1.00 12.52 O ATOM 917 CB LYS A 62 47.592 42.365 -1.272 1.00 13.16 C ATOM 918 CG LYS A 62 48.573 41.261 -0.936 1.00 14.44 C ATOM 919 CD LYS A 62 49.942 41.832 -0.595 1.00 14.81 C ATOM 920 CE LYS A 62 50.615 41.022 0.509 1.00 19.08 C ATOM 921 NZ LYS A 62 49.986 41.269 1.848 1.00 20.21 N ATOM 922 HA LYS A 62 45.826 41.180 -0.897 1.00 0.00 H ATOM 923 HB2 LYS A 62 47.993 42.932 -2.112 1.00 0.00 H ATOM 924 HB3 LYS A 62 47.505 43.018 -0.404 1.00 0.00 H ATOM 925 HG2 LYS A 62 48.198 40.699 -0.081 1.00 0.00 H ATOM 926 HG3 LYS A 62 48.668 40.595 -1.794 1.00 0.00 H ATOM 927 HD2 LYS A 62 50.569 41.810 -1.486 1.00 0.00 H ATOM 928 HD3 LYS A 62 49.825 42.863 -0.260 1.00 0.00 H ATOM 929 HE2 LYS A 62 51.668 41.299 0.558 1.00 0.00 H ATOM 930 HE3 LYS A 62 50.530 39.962 0.270 1.00 0.00 H ATOM 931 HZ1 LYS A 62 50.068 42.278 2.088 1.00 0.00 H ATOM 932 HZ2 LYS A 62 48.982 41.001 1.813 1.00 0.00 H ATOM 933 HZ3 LYS A 62 50.473 40.699 2.569 1.00 0.00 H ATOM 934 H LYS A 62 47.092 41.152 -3.484 1.00 0.00 H ATOM 935 N VAL A 63 44.377 43.199 -0.707 1.00 12.09 N ATOM 936 CA VAL A 63 43.515 44.374 -0.526 1.00 11.95 C ATOM 937 C VAL A 63 43.402 44.692 0.961 1.00 11.94 C ATOM 938 O VAL A 63 43.506 43.797 1.804 1.00 12.50 O ATOM 939 CB VAL A 63 42.083 44.161 -1.106 1.00 11.85 C ATOM 940 CG1 VAL A 63 42.120 43.968 -2.622 1.00 12.84 C ATOM 941 CG2 VAL A 63 41.379 42.995 -0.429 1.00 12.25 C ATOM 942 HA VAL A 63 43.974 45.199 -1.070 1.00 0.00 H ATOM 943 HB VAL A 63 41.510 45.065 -0.897 1.00 0.00 H ATOM 944 HG11 VAL A 63 42.556 44.851 -3.089 1.00 0.00 H ATOM 945 HG12 VAL A 63 42.725 43.093 -2.861 1.00 0.00 H ATOM 946 HG13 VAL A 63 41.106 43.822 -2.993 1.00 0.00 H ATOM 947 HG21 VAL A 63 41.956 42.083 -0.586 1.00 0.00 H ATOM 948 HG22 VAL A 63 41.295 43.194 0.639 1.00 0.00 H ATOM 949 HG23 VAL A 63 40.384 42.875 -0.857 1.00 0.00 H ATOM 950 H VAL A 63 44.301 42.417 -0.025 1.00 0.00 H ATOM 951 N THR A 64 43.172 45.958 1.294 1.00 11.77 N ATOM 952 CA THR A 64 42.951 46.321 2.689 1.00 11.89 C ATOM 953 C THR A 64 41.595 45.815 3.145 1.00 11.48 C ATOM 954 O THR A 64 40.609 45.929 2.421 1.00 12.04 O ATOM 955 CB THR A 64 43.050 47.845 2.898 1.00 11.77 C ATOM 956 OG1 THR A 64 44.299 48.294 2.371 1.00 13.27 O ATOM 957 CG2 THR A 64 42.970 48.198 4.385 1.00 12.64 C ATOM 958 HA THR A 64 43.732 45.853 3.289 1.00 0.00 H ATOM 959 HB THR A 64 42.219 48.331 2.386 1.00 0.00 H ATOM 960 HG1 THR A 64 44.377 49.273 2.498 1.00 0.00 H ATOM 961 HG23 THR A 64 42.017 47.855 4.788 1.00 0.00 H ATOM 962 HG21 THR A 64 43.787 47.711 4.917 1.00 0.00 H ATOM 963 HG22 THR A 64 43.050 49.278 4.505 1.00 0.00 H ATOM 964 H THR A 64 43.150 46.692 0.557 1.00 0.00 H ATOM 965 N CYS A 65 41.561 45.241 4.345 1.00 11.04 N ATOM 966 CA CYS A 65 40.313 44.820 4.960 1.00 10.74 C ATOM 967 C CYS A 65 39.452 46.044 5.232 1.00 10.50 C ATOM 968 O CYS A 65 39.976 47.146 5.429 1.00 10.37 O ATOM 969 CB CYS A 65 40.588 44.097 6.279 1.00 10.31 C ATOM 970 SG CYS A 65 41.758 42.725 6.186 1.00 10.85 S ATOM 971 HA CYS A 65 39.796 44.140 4.283 1.00 0.00 H ATOM 972 HB2 CYS A 65 39.641 43.706 6.652 1.00 0.00 H ATOM 973 HB3 CYS A 65 40.982 44.827 6.986 1.00 0.00 H ATOM 974 H CYS A 65 42.453 45.089 4.858 1.00 0.00 H ATOM 975 N LYS A 66 38.138 45.843 5.253 1.00 10.61 N ATOM 976 CA LYS A 66 37.195 46.919 5.548 1.00 11.19 C ATOM 977 C LYS A 66 37.511 47.592 6.886 1.00 11.01 C ATOM 978 O LYS A 66 37.308 48.797 7.038 1.00 10.74 O ATOM 979 CB LYS A 66 35.760 46.390 5.572 1.00 11.56 C ATOM 980 CG LYS A 66 35.129 46.136 4.210 1.00 13.75 C ATOM 981 CD LYS A 66 33.649 45.810 4.402 1.00 17.34 C ATOM 982 CE LYS A 66 32.934 45.523 3.094 1.00 19.55 C ATOM 983 NZ LYS A 66 31.771 44.602 3.319 1.00 21.42 N ATOM 984 HA LYS A 66 37.294 47.660 4.755 1.00 0.00 H ATOM 985 HB2 LYS A 66 35.758 45.450 6.123 1.00 0.00 H ATOM 986 HB3 LYS A 66 35.143 47.119 6.097 1.00 0.00 H ATOM 987 HG2 LYS A 66 35.230 47.025 3.588 1.00 0.00 H ATOM 988 HG3 LYS A 66 35.629 45.297 3.726 1.00 0.00 H ATOM 989 HD2 LYS A 66 33.566 44.933 5.044 1.00 0.00 H ATOM 990 HD3 LYS A 66 33.165 46.659 4.884 1.00 0.00 H ATOM 991 HE2 LYS A 66 33.632 45.056 2.399 1.00 0.00 H ATOM 992 HE3 LYS A 66 32.573 46.460 2.670 1.00 0.00 H ATOM 993 HZ1 LYS A 66 32.113 43.706 3.721 1.00 0.00 H ATOM 994 HZ2 LYS A 66 31.101 45.046 3.979 1.00 0.00 H ATOM 995 HZ3 LYS A 66 31.295 44.418 2.413 1.00 0.00 H ATOM 996 H LYS A 66 37.770 44.891 5.053 1.00 0.00 H ATOM 997 N ASN A 67 38.016 46.813 7.843 1.00 11.06 N ATOM 998 CA ASN A 67 38.308 47.329 9.183 1.00 10.94 C ATOM 999 C ASN A 67 39.719 47.903 9.351 1.00 10.76 C ATOM 1000 O ASN A 67 40.140 48.213 10.465 1.00 10.84 O ATOM 1001 CB ASN A 67 38.037 46.257 10.249 1.00 11.38 C ATOM 1002 CG ASN A 67 39.048 45.119 10.217 1.00 12.54 C ATOM 1003 OD1 ASN A 67 39.945 45.082 9.372 1.00 12.72 O ATOM 1004 ND2 ASN A 67 38.895 44.176 11.137 1.00 12.45 N ATOM 1005 HA ASN A 67 37.629 48.171 9.321 1.00 0.00 H ATOM 1006 HB2 ASN A 67 38.073 46.727 11.232 1.00 0.00 H ATOM 1007 HB3 ASN A 67 37.042 45.844 10.082 1.00 0.00 H ATOM 1008 HD22 ASN A 67 38.124 44.247 11.831 1.00 0.00 H ATOM 1009 HD21 ASN A 67 39.546 43.365 11.164 1.00 0.00 H ATOM 1010 H ASN A 67 38.208 45.813 7.633 1.00 0.00 H ATOM 1011 N GLY A 68 40.451 48.020 8.246 1.00 10.47 N ATOM 1012 CA GLY A 68 41.780 48.618 8.278 1.00 10.70 C ATOM 1013 C GLY A 68 42.923 47.656 8.541 1.00 10.49 C ATOM 1014 O GLY A 68 44.088 48.063 8.507 1.00 11.14 O ATOM 1015 HA3 GLY A 68 41.790 49.374 9.063 1.00 0.00 H ATOM 1016 HA2 GLY A 68 41.957 49.095 7.314 1.00 0.00 H ATOM 1017 H GLY A 68 40.067 47.678 7.342 1.00 0.00 H ATOM 1018 N GLN A 69 42.610 46.388 8.812 1.00 10.27 N ATOM 1019 CA GLN A 69 43.653 45.371 8.914 1.00 9.91 C ATOM 1020 C GLN A 69 44.240 45.130 7.525 1.00 9.87 C ATOM 1021 O GLN A 69 43.615 45.464 6.510 1.00 9.75 O ATOM 1022 CB GLN A 69 43.130 44.090 9.565 1.00 9.88 C ATOM 1023 CG GLN A 69 42.736 44.323 11.021 1.00 10.40 C ATOM 1024 CD GLN A 69 42.562 43.045 11.797 1.00 11.27 C ATOM 1025 OE1 GLN A 69 41.455 42.710 12.215 1.00 13.51 O ATOM 1026 NE2 GLN A 69 43.658 42.323 12.008 1.00 11.74 N ATOM 1027 HA GLN A 69 44.449 45.725 9.570 1.00 0.00 H ATOM 1028 HB2 GLN A 69 42.257 43.743 9.013 1.00 0.00 H ATOM 1029 HB3 GLN A 69 43.909 43.329 9.526 1.00 0.00 H ATOM 1030 HG2 GLN A 69 43.514 44.917 11.500 1.00 0.00 H ATOM 1031 HG3 GLN A 69 41.795 44.873 11.042 1.00 0.00 H ATOM 1032 HE22 GLN A 69 44.573 42.646 11.635 1.00 0.00 H ATOM 1033 HE21 GLN A 69 43.600 41.435 12.546 1.00 0.00 H ATOM 1034 H GLN A 69 41.615 46.121 8.952 1.00 0.00 H ATOM 1035 N THR A 70 45.449 44.578 7.496 1.00 9.48 N ATOM 1036 CA THR A 70 46.256 44.535 6.290 1.00 9.76 C ATOM 1037 C THR A 70 46.623 43.095 5.942 1.00 9.87 C ATOM 1038 O THR A 70 47.726 42.815 5.464 1.00 10.82 O ATOM 1039 CB THR A 70 47.537 45.386 6.468 1.00 9.56 C ATOM 1040 OG1 THR A 70 48.141 45.073 7.734 1.00 9.94 O ATOM 1041 CG2 THR A 70 47.204 46.877 6.425 1.00 10.32 C ATOM 1042 HA THR A 70 45.671 44.951 5.470 1.00 0.00 H ATOM 1043 HB THR A 70 48.226 45.157 5.655 1.00 0.00 H ATOM 1044 HG1 THR A 70 48.375 44.111 7.758 1.00 0.00 H ATOM 1045 HG23 THR A 70 46.746 47.118 5.466 1.00 0.00 H ATOM 1046 HG21 THR A 70 46.510 47.116 7.231 1.00 0.00 H ATOM 1047 HG22 THR A 70 48.119 47.456 6.547 1.00 0.00 H ATOM 1048 H THR A 70 45.831 44.162 8.369 1.00 0.00 H ATOM 1049 N ASN A 71 45.685 42.186 6.184 1.00 9.59 N ATOM 1050 CA ASN A 71 45.888 40.775 5.869 1.00 9.85 C ATOM 1051 C ASN A 71 44.765 40.203 5.007 1.00 9.47 C ATOM 1052 O ASN A 71 44.515 39.003 5.031 1.00 9.58 O ATOM 1053 CB ASN A 71 46.082 39.958 7.155 1.00 9.94 C ATOM 1054 CG ASN A 71 44.832 39.907 8.013 1.00 10.99 C ATOM 1055 OD1 ASN A 71 44.011 40.831 8.001 1.00 12.75 O ATOM 1056 ND2 ASN A 71 44.676 38.816 8.763 1.00 12.45 N ATOM 1057 HA ASN A 71 46.799 40.702 5.274 1.00 0.00 H ATOM 1058 HB2 ASN A 71 46.360 38.940 6.883 1.00 0.00 H ATOM 1059 HB3 ASN A 71 46.886 40.409 7.737 1.00 0.00 H ATOM 1060 HD22 ASN A 71 45.393 38.063 8.741 1.00 0.00 H ATOM 1061 HD21 ASN A 71 43.837 38.718 9.370 1.00 0.00 H ATOM 1062 H ASN A 71 44.784 42.487 6.608 1.00 0.00 H ATOM 1063 N CYS A 72 44.106 41.074 4.238 1.00 9.25 N ATOM 1064 CA CYS A 72 43.036 40.655 3.349 1.00 9.16 C ATOM 1065 C CYS A 72 43.501 40.426 1.920 1.00 9.10 C ATOM 1066 O CYS A 72 44.504 40.988 1.472 1.00 9.17 O ATOM 1067 CB CYS A 72 41.863 41.627 3.390 1.00 9.16 C ATOM 1068 SG CYS A 72 40.877 41.443 4.890 1.00 9.89 S ATOM 1069 HA CYS A 72 42.697 39.689 3.724 1.00 0.00 H ATOM 1070 HB2 CYS A 72 41.225 41.444 2.525 1.00 0.00 H ATOM 1071 HB3 CYS A 72 42.249 42.645 3.346 1.00 0.00 H ATOM 1072 H CYS A 72 44.366 42.080 4.277 1.00 0.00 H ATOM 1073 N TYR A 73 42.748 39.586 1.225 1.00 9.12 N ATOM 1074 CA TYR A 73 43.065 39.174 -0.127 1.00 9.45 C ATOM 1075 C TYR A 73 41.761 39.038 -0.880 1.00 9.21 C ATOM 1076 O TYR A 73 40.771 38.544 -0.329 1.00 9.30 O ATOM 1077 CB TYR A 73 43.766 37.814 -0.106 1.00 9.79 C ATOM 1078 CG TYR A 73 45.169 37.858 0.442 1.00 10.96 C ATOM 1079 CD1 TYR A 73 45.410 37.751 1.811 1.00 11.38 C ATOM 1080 CD2 TYR A 73 46.257 38.008 -0.413 1.00 11.58 C ATOM 1081 CE1 TYR A 73 46.706 37.793 2.318 1.00 12.90 C ATOM 1082 CE2 TYR A 73 47.552 38.053 0.082 1.00 12.26 C ATOM 1083 CZ TYR A 73 47.768 37.942 1.446 1.00 12.46 C ATOM 1084 OH TYR A 73 49.057 37.994 1.938 1.00 13.65 O ATOM 1085 HA TYR A 73 43.721 39.905 -0.600 1.00 0.00 H ATOM 1086 HB3 TYR A 73 43.808 37.433 -1.127 1.00 0.00 H ATOM 1087 HB2 TYR A 73 43.178 37.134 0.510 1.00 0.00 H ATOM 1088 HD2 TYR A 73 46.089 38.091 -1.487 1.00 0.00 H ATOM 1089 HE2 TYR A 73 48.395 38.175 -0.598 1.00 0.00 H ATOM 1090 HE1 TYR A 73 46.881 37.709 3.391 1.00 0.00 H ATOM 1091 HD1 TYR A 73 44.570 37.633 2.496 1.00 0.00 H ATOM 1092 HH TYR A 73 49.037 37.900 2.923 1.00 0.00 H ATOM 1093 H TYR A 73 41.889 39.205 1.671 1.00 0.00 H ATOM 1094 N GLN A 74 41.763 39.485 -2.135 1.00 9.42 N ATOM 1095 CA GLN A 74 40.604 39.363 -3.010 1.00 9.68 C ATOM 1096 C GLN A 74 40.818 38.217 -3.991 1.00 9.62 C ATOM 1097 O GLN A 74 41.912 38.056 -4.542 1.00 9.83 O ATOM 1098 CB GLN A 74 40.378 40.671 -3.783 1.00 10.30 C ATOM 1099 CG GLN A 74 39.122 40.671 -4.651 1.00 11.27 C ATOM 1100 CD GLN A 74 39.189 41.673 -5.787 1.00 13.67 C ATOM 1101 OE1 GLN A 74 39.246 42.879 -5.561 1.00 16.79 O ATOM 1102 NE2 GLN A 74 39.185 41.173 -7.018 1.00 15.37 N ATOM 1103 HA GLN A 74 39.724 39.159 -2.400 1.00 0.00 H ATOM 1104 HB2 GLN A 74 40.297 41.485 -3.063 1.00 0.00 H ATOM 1105 HB3 GLN A 74 41.240 40.842 -4.428 1.00 0.00 H ATOM 1106 HG2 GLN A 74 38.991 39.675 -5.073 1.00 0.00 H ATOM 1107 HG3 GLN A 74 38.265 40.914 -4.023 1.00 0.00 H ATOM 1108 HE22 GLN A 74 39.136 40.144 -7.161 1.00 0.00 H ATOM 1109 HE21 GLN A 74 39.231 41.811 -7.838 1.00 0.00 H ATOM 1110 H GLN A 74 42.624 39.938 -2.504 1.00 0.00 H ATOM 1111 N SER A 75 39.769 37.429 -4.211 1.00 9.06 N ATOM 1112 CA SER A 75 39.828 36.351 -5.195 1.00 8.86 C ATOM 1113 C SER A 75 39.997 36.922 -6.601 1.00 9.14 C ATOM 1114 O SER A 75 39.383 37.940 -6.953 1.00 9.33 O ATOM 1115 CB SER A 75 38.586 35.456 -5.100 1.00 8.61 C ATOM 1116 OG SER A 75 37.402 36.156 -5.438 1.00 8.75 O ATOM 1117 HA SER A 75 40.697 35.730 -4.977 1.00 0.00 H ATOM 1118 HB2 SER A 75 38.497 35.084 -4.079 1.00 0.00 H ATOM 1119 HB3 SER A 75 38.705 34.614 -5.782 1.00 0.00 H ATOM 1120 HG SER A 75 37.472 36.492 -6.367 1.00 0.00 H ATOM 1121 H SER A 75 38.892 37.583 -3.673 1.00 0.00 H ATOM 1122 N LYS A 76 40.847 36.273 -7.392 1.00 9.15 N ATOM 1123 CA LYS A 76 41.107 36.717 -8.757 1.00 9.74 C ATOM 1124 C LYS A 76 39.871 36.542 -9.632 1.00 9.53 C ATOM 1125 O LYS A 76 39.597 37.366 -10.515 1.00 9.80 O ATOM 1126 CB LYS A 76 42.327 35.998 -9.340 1.00 9.79 C ATOM 1127 CG LYS A 76 43.647 36.563 -8.811 1.00 11.08 C ATOM 1128 CD LYS A 76 44.870 36.112 -9.601 1.00 11.49 C ATOM 1129 CE LYS A 76 45.470 34.823 -9.043 1.00 13.50 C ATOM 1130 NZ LYS A 76 46.887 34.622 -9.456 1.00 15.15 N ATOM 1131 HA LYS A 76 41.338 37.782 -8.734 1.00 0.00 H ATOM 1132 HB2 LYS A 76 42.269 34.941 -9.079 1.00 0.00 H ATOM 1133 HB3 LYS A 76 42.311 36.104 -10.425 1.00 0.00 H ATOM 1134 HG2 LYS A 76 43.595 37.651 -8.849 1.00 0.00 H ATOM 1135 HG3 LYS A 76 43.768 36.242 -7.776 1.00 0.00 H ATOM 1136 HD2 LYS A 76 44.577 35.944 -10.637 1.00 0.00 H ATOM 1137 HD3 LYS A 76 45.624 36.898 -9.561 1.00 0.00 H ATOM 1138 HE2 LYS A 76 44.879 33.980 -9.401 1.00 0.00 H ATOM 1139 HE3 LYS A 76 45.426 34.860 -7.955 1.00 0.00 H ATOM 1140 HZ1 LYS A 76 46.941 34.576 -10.494 1.00 0.00 H ATOM 1141 HZ2 LYS A 76 47.463 35.417 -9.112 1.00 0.00 H ATOM 1142 HZ3 LYS A 76 47.243 33.733 -9.049 1.00 0.00 H ATOM 1143 H LYS A 76 41.337 35.430 -7.029 1.00 0.00 H ATOM 1144 N SER A 77 39.119 35.478 -9.363 1.00 9.06 N ATOM 1145 CA SER A 77 37.895 35.180 -10.095 1.00 8.94 C ATOM 1146 C SER A 77 36.683 35.275 -9.179 1.00 8.51 C ATOM 1147 O SER A 77 36.819 35.252 -7.953 1.00 8.32 O ATOM 1148 CB SER A 77 37.971 33.772 -10.688 1.00 9.25 C ATOM 1149 OG SER A 77 39.021 33.668 -11.628 1.00 10.49 O ATOM 1150 HA SER A 77 37.790 35.911 -10.897 1.00 0.00 H ATOM 1151 HB2 SER A 77 37.027 33.543 -11.183 1.00 0.00 H ATOM 1152 HB3 SER A 77 38.141 33.056 -9.884 1.00 0.00 H ATOM 1153 HG SER A 77 39.045 32.748 -11.994 1.00 0.00 H ATOM 1154 H SER A 77 39.416 34.835 -8.602 1.00 0.00 H ATOM 1155 N THR A 78 35.500 35.367 -9.781 1.00 8.07 N ATOM 1156 CA THR A 78 34.260 35.311 -9.021 1.00 8.27 C ATOM 1157 C THR A 78 34.058 33.897 -8.486 1.00 8.26 C ATOM 1158 O THR A 78 34.624 32.921 -9.005 1.00 8.55 O ATOM 1159 CB THR A 78 33.030 35.718 -9.856 1.00 8.29 C ATOM 1160 OG1 THR A 78 32.935 34.876 -11.010 1.00 9.24 O ATOM 1161 CG2 THR A 78 33.124 37.171 -10.287 1.00 8.66 C ATOM 1162 HA THR A 78 34.350 36.027 -8.204 1.00 0.00 H ATOM 1163 HB THR A 78 32.138 35.600 -9.240 1.00 0.00 H ATOM 1164 HG1 THR A 78 32.145 35.139 -11.545 1.00 0.00 H ATOM 1165 HG23 THR A 78 33.196 37.807 -9.404 1.00 0.00 H ATOM 1166 HG21 THR A 78 34.009 37.308 -10.908 1.00 0.00 H ATOM 1167 HG22 THR A 78 32.234 37.438 -10.857 1.00 0.00 H ATOM 1168 H THR A 78 35.461 35.481 -10.814 1.00 0.00 H ATOM 1169 N MET A 79 33.249 33.806 -7.441 1.00 8.29 N ATOM 1170 CA MET A 79 32.904 32.542 -6.825 1.00 8.05 C ATOM 1171 C MET A 79 31.400 32.469 -6.625 1.00 8.43 C ATOM 1172 O MET A 79 30.738 33.498 -6.440 1.00 8.70 O ATOM 1173 CB MET A 79 33.602 32.414 -5.479 1.00 8.26 C ATOM 1174 CG MET A 79 35.100 32.257 -5.604 1.00 7.58 C ATOM 1175 SD MET A 79 35.811 31.776 -4.039 1.00 7.65 S ATOM 1176 CE MET A 79 37.522 31.568 -4.518 1.00 7.10 C ATOM 1177 HA MET A 79 33.226 31.728 -7.474 1.00 0.00 H ATOM 1178 HB2 MET A 79 33.394 33.309 -4.893 1.00 0.00 H ATOM 1179 HB3 MET A 79 33.203 31.541 -4.962 1.00 0.00 H ATOM 1180 HG2 MET A 79 35.535 33.205 -5.920 1.00 0.00 H ATOM 1181 HG3 MET A 79 35.320 31.492 -6.349 1.00 0.00 H ATOM 1182 HE1 MET A 79 37.591 30.801 -5.289 1.00 0.00 H ATOM 1183 HE2 MET A 79 37.906 32.511 -4.906 1.00 0.00 H ATOM 1184 HE3 MET A 79 38.107 31.266 -3.649 1.00 0.00 H ATOM 1185 H MET A 79 32.845 34.679 -7.046 1.00 0.00 H ATOM 1186 N ARG A 80 30.871 31.251 -6.677 1.00 8.49 N ATOM 1187 CA ARG A 80 29.467 31.009 -6.379 1.00 8.58 C ATOM 1188 C ARG A 80 29.298 31.077 -4.876 1.00 8.67 C ATOM 1189 O ARG A 80 29.889 30.287 -4.138 1.00 8.39 O ATOM 1190 CB ARG A 80 29.016 29.653 -6.910 1.00 9.19 C ATOM 1191 CG ARG A 80 28.839 29.621 -8.422 1.00 11.30 C ATOM 1192 CD ARG A 80 28.999 28.222 -8.954 1.00 16.30 C ATOM 1193 NE ARG A 80 30.269 27.634 -8.524 1.00 18.68 N ATOM 1194 CZ ARG A 80 30.687 26.417 -8.850 1.00 19.89 C ATOM 1195 NH1 ARG A 80 31.853 25.980 -8.402 1.00 20.96 N ATOM 1196 NH2 ARG A 80 29.944 25.631 -9.620 1.00 21.05 N ATOM 1197 HA ARG A 80 28.848 31.762 -6.867 1.00 0.00 H ATOM 1198 HB2 ARG A 80 29.763 28.908 -6.634 1.00 0.00 H ATOM 1199 HB3 ARG A 80 28.063 29.400 -6.445 1.00 0.00 H ATOM 1200 HG2 ARG A 80 27.843 29.986 -8.672 1.00 0.00 H ATOM 1201 HG3 ARG A 80 29.588 30.266 -8.883 1.00 0.00 H ATOM 1202 HD2 ARG A 80 28.971 28.250 -10.043 1.00 0.00 H ATOM 1203 HD3 ARG A 80 28.179 27.605 -8.586 1.00 0.00 H ATOM 1204 HE ARG A 80 30.888 28.211 -7.920 1.00 0.00 H ATOM 1205 HH12 ARG A 80 32.183 25.027 -8.656 1.00 0.00 H ATOM 1206 HH11 ARG A 80 32.439 26.590 -7.796 1.00 0.00 H ATOM 1207 HH22 ARG A 80 30.280 24.679 -9.870 1.00 0.00 H ATOM 1208 HH21 ARG A 80 29.025 25.967 -9.973 1.00 0.00 H ATOM 1209 H ARG A 80 31.478 30.448 -6.938 1.00 0.00 H ATOM 1210 N ILE A 81 28.514 32.049 -4.431 1.00 8.40 N ATOM 1211 CA ILE A 81 28.302 32.272 -3.009 1.00 8.49 C ATOM 1212 C ILE A 81 26.826 32.479 -2.732 1.00 8.31 C ATOM 1213 O ILE A 81 26.041 32.741 -3.647 1.00 8.43 O ATOM 1214 CB ILE A 81 29.103 33.497 -2.477 1.00 8.61 C ATOM 1215 CG1 ILE A 81 28.552 34.814 -3.050 1.00 8.77 C ATOM 1216 CG2 ILE A 81 30.600 33.320 -2.753 1.00 9.27 C ATOM 1217 CD1 ILE A 81 29.291 36.056 -2.570 1.00 8.75 C ATOM 1218 HA ILE A 81 28.663 31.386 -2.487 1.00 0.00 H ATOM 1219 HB ILE A 81 28.977 33.553 -1.396 1.00 0.00 H ATOM 1220 HG12 ILE A 81 28.623 34.771 -4.137 1.00 0.00 H ATOM 1221 HG13 ILE A 81 27.505 34.904 -2.759 1.00 0.00 H ATOM 1222 HD11 ILE A 81 29.220 36.122 -1.484 1.00 0.00 H ATOM 1223 HD12 ILE A 81 30.339 35.990 -2.864 1.00 0.00 H ATOM 1224 HD13 ILE A 81 28.841 36.941 -3.020 1.00 0.00 H ATOM 1225 HG21 ILE A 81 30.956 32.419 -2.253 1.00 0.00 H ATOM 1226 HG22 ILE A 81 30.762 33.230 -3.827 1.00 0.00 H ATOM 1227 HG23 ILE A 81 31.143 34.186 -2.374 1.00 0.00 H ATOM 1228 H ILE A 81 28.038 32.669 -5.117 1.00 0.00 H ATOM 1229 N THR A 82 26.460 32.341 -1.463 1.00 8.35 N ATOM 1230 CA THR A 82 25.118 32.653 -1.011 1.00 8.81 C ATOM 1231 C THR A 82 25.222 33.726 0.046 1.00 9.36 C ATOM 1232 O THR A 82 25.950 33.586 1.026 1.00 8.77 O ATOM 1233 CB THR A 82 24.385 31.409 -0.460 1.00 8.82 C ATOM 1234 OG1 THR A 82 24.180 30.477 -1.524 1.00 8.93 O ATOM 1235 CG2 THR A 82 23.027 31.790 0.142 1.00 8.91 C ATOM 1236 HA THR A 82 24.527 33.004 -1.857 1.00 0.00 H ATOM 1237 HB THR A 82 24.999 30.965 0.324 1.00 0.00 H ATOM 1238 HG1 THR A 82 25.056 30.209 -1.900 1.00 0.00 H ATOM 1239 HG23 THR A 82 23.178 32.501 0.954 1.00 0.00 H ATOM 1240 HG21 THR A 82 22.404 32.244 -0.629 1.00 0.00 H ATOM 1241 HG22 THR A 82 22.538 30.895 0.527 1.00 0.00 H ATOM 1242 H THR A 82 27.158 31.998 -0.772 1.00 0.00 H ATOM 1243 N ASP A 83 24.496 34.809 -0.198 1.00 9.77 N ATOM 1244 CA ASP A 83 24.448 35.958 0.671 1.00 11.17 C ATOM 1245 C ASP A 83 23.224 35.793 1.573 1.00 12.24 C ATOM 1246 O ASP A 83 22.104 35.634 1.082 1.00 11.76 O ATOM 1247 CB ASP A 83 24.352 37.209 -0.212 1.00 10.86 C ATOM 1248 CG ASP A 83 24.280 38.492 0.578 1.00 11.47 C ATOM 1249 OD1 ASP A 83 23.158 38.913 0.919 1.00 10.65 O ATOM 1250 OD2 ASP A 83 25.342 39.110 0.807 1.00 12.88 O ATOM 1251 HA ASP A 83 25.334 36.054 1.299 1.00 0.00 H ATOM 1252 HB2 ASP A 83 25.231 37.247 -0.855 1.00 0.00 H ATOM 1253 HB3 ASP A 83 23.456 37.131 -0.828 1.00 0.00 H ATOM 1254 H ASP A 83 23.927 34.830 -1.068 1.00 0.00 H ATOM 1255 N CYS A 84 23.456 35.799 2.886 1.00 14.62 N ATOM 1256 CA CYS A 84 22.380 35.722 3.869 1.00 15.66 C ATOM 1257 C CYS A 84 22.269 37.030 4.627 1.00 16.72 C ATOM 1258 O CYS A 84 23.236 37.484 5.245 1.00 17.13 O ATOM 1259 CB CYS A 84 22.624 34.586 4.859 1.00 15.96 C ATOM 1260 SG CYS A 84 22.761 32.951 4.125 1.00 16.03 S ATOM 1261 HA CYS A 84 21.451 35.529 3.333 1.00 0.00 H ATOM 1262 HB2 CYS A 84 21.795 34.570 5.567 1.00 0.00 H ATOM 1263 HB3 CYS A 84 23.551 34.796 5.392 1.00 0.00 H ATOM 1264 H CYS A 84 24.438 35.861 3.222 1.00 0.00 H ATOM 1265 N ARG A 85 21.080 37.621 4.576 1.00 17.88 N ATOM 1266 CA ARG A 85 20.819 38.904 5.219 1.00 19.02 C ATOM 1267 C ARG A 85 19.466 38.875 5.901 1.00 19.52 C ATOM 1268 O ARG A 85 18.474 38.448 5.308 1.00 19.58 O ATOM 1269 CB ARG A 85 20.882 40.051 4.200 1.00 19.17 C ATOM 1270 CG ARG A 85 22.306 40.391 3.794 1.00 19.88 C ATOM 1271 CD ARG A 85 22.397 41.457 2.724 1.00 19.83 C ATOM 1272 NE ARG A 85 23.699 41.335 2.080 1.00 20.80 N ATOM 1273 CZ ARG A 85 24.779 42.043 2.396 1.00 21.02 C ATOM 1274 NH1 ARG A 85 24.730 43.001 3.321 1.00 21.37 N ATOM 1275 NH2 ARG A 85 25.912 41.813 1.750 1.00 21.65 N ATOM 1276 HA ARG A 85 21.590 39.078 5.969 1.00 0.00 H ATOM 1277 HB2 ARG A 85 20.325 39.759 3.310 1.00 0.00 H ATOM 1278 HB3 ARG A 85 20.423 40.936 4.641 1.00 0.00 H ATOM 1279 HG2 ARG A 85 22.841 40.743 4.676 1.00 0.00 H ATOM 1280 HG3 ARG A 85 22.782 39.485 3.419 1.00 0.00 H ATOM 1281 HD2 ARG A 85 22.298 42.444 3.175 1.00 0.00 H ATOM 1282 HD3 ARG A 85 21.605 41.313 1.989 1.00 0.00 H ATOM 1283 HE ARG A 85 23.790 40.639 1.313 1.00 0.00 H ATOM 1284 HH12 ARG A 85 25.586 43.543 3.554 1.00 0.00 H ATOM 1285 HH11 ARG A 85 23.835 43.206 3.810 1.00 0.00 H ATOM 1286 HH22 ARG A 85 26.765 42.359 1.986 1.00 0.00 H ATOM 1287 HH21 ARG A 85 25.949 41.087 1.007 1.00 0.00 H ATOM 1288 H ARG A 85 20.308 37.152 4.060 1.00 0.00 H ATOM 1289 N GLU A 86 19.437 39.315 7.157 1.00 19.87 N ATOM 1290 CA GLU A 86 18.192 39.393 7.913 1.00 20.57 C ATOM 1291 C GLU A 86 17.133 40.173 7.149 1.00 20.73 C ATOM 1292 O GLU A 86 17.431 41.198 6.527 1.00 20.73 O ATOM 1293 CB GLU A 86 18.420 40.088 9.245 1.00 20.56 C ATOM 1294 CG GLU A 86 18.736 39.186 10.395 1.00 21.42 C ATOM 1295 CD GLU A 86 18.657 39.933 11.710 1.00 21.07 C ATOM 1296 OE1 GLU A 86 19.502 40.822 11.939 1.00 22.31 O ATOM 1297 OE2 GLU A 86 17.746 39.635 12.508 1.00 22.19 O ATOM 1298 HA GLU A 86 17.849 38.371 8.074 1.00 0.00 H ATOM 1299 HB2 GLU A 86 19.251 40.782 9.124 1.00 0.00 H ATOM 1300 HB3 GLU A 86 17.516 40.645 9.493 1.00 0.00 H ATOM 1301 HG2 GLU A 86 18.022 38.363 10.409 1.00 0.00 H ATOM 1302 HG3 GLU A 86 19.743 38.789 10.270 1.00 0.00 H ATOM 1303 H GLU A 86 20.325 39.611 7.611 1.00 0.00 H ATOM 1304 N THR A 87 15.902 39.676 7.195 1.00 21.16 N ATOM 1305 CA THR A 87 14.764 40.393 6.640 1.00 21.73 C ATOM 1306 C THR A 87 14.329 41.484 7.618 1.00 22.21 C ATOM 1307 O THR A 87 14.725 41.471 8.789 1.00 22.35 O ATOM 1308 CB THR A 87 13.572 39.451 6.395 1.00 21.80 C ATOM 1309 OG1 THR A 87 13.064 38.986 7.653 1.00 21.56 O ATOM 1310 CG2 THR A 87 13.981 38.263 5.522 1.00 22.00 C ATOM 1311 HA THR A 87 15.070 40.825 5.687 1.00 0.00 H ATOM 1312 HB THR A 87 12.794 40.004 5.868 1.00 0.00 H ATOM 1313 HG1 THR A 87 12.297 38.380 7.494 1.00 0.00 H ATOM 1314 HG23 THR A 87 14.365 38.629 4.570 1.00 0.00 H ATOM 1315 HG21 THR A 87 14.755 37.689 6.031 1.00 0.00 H ATOM 1316 HG22 THR A 87 13.113 37.628 5.345 1.00 0.00 H ATOM 1317 H THR A 87 15.747 38.749 7.640 1.00 0.00 H ATOM 1318 N GLY A 88 13.501 42.413 7.141 1.00 22.55 N ATOM 1319 CA GLY A 88 12.958 43.474 7.988 1.00 23.00 C ATOM 1320 C GLY A 88 12.085 42.936 9.111 1.00 23.41 C ATOM 1321 O GLY A 88 11.872 43.612 10.119 1.00 23.60 O ATOM 1322 HA3 GLY A 88 12.359 44.143 7.370 1.00 0.00 H ATOM 1323 HA2 GLY A 88 13.787 44.030 8.426 1.00 0.00 H ATOM 1324 H GLY A 88 13.233 42.382 6.137 1.00 0.00 H ATOM 1325 N SER A 89 11.592 41.712 8.933 1.00 23.70 N ATOM 1326 CA SER A 89 10.690 41.072 9.890 1.00 24.02 C ATOM 1327 C SER A 89 11.406 40.183 10.910 1.00 23.99 C ATOM 1328 O SER A 89 10.819 39.805 11.929 1.00 23.97 O ATOM 1329 CB SER A 89 9.622 40.267 9.144 1.00 24.06 C ATOM 1330 OG SER A 89 8.805 41.122 8.360 1.00 25.34 O ATOM 1331 HA SER A 89 10.225 41.876 10.461 1.00 0.00 H ATOM 1332 HB2 SER A 89 8.999 39.742 9.868 1.00 0.00 H ATOM 1333 HB3 SER A 89 10.110 39.542 8.493 1.00 0.00 H ATOM 1334 HG SER A 89 8.123 40.582 7.887 1.00 0.00 H ATOM 1335 H SER A 89 11.860 41.188 8.076 1.00 0.00 H ATOM 1336 N SER A 90 12.666 39.855 10.630 1.00 23.91 N ATOM 1337 CA SER A 90 13.480 39.023 11.516 1.00 23.94 C ATOM 1338 C SER A 90 13.636 39.620 12.911 1.00 24.07 C ATOM 1339 O SER A 90 14.002 40.790 13.066 1.00 24.25 O ATOM 1340 CB SER A 90 14.860 38.784 10.908 1.00 23.77 C ATOM 1341 OG SER A 90 15.669 37.999 11.770 1.00 23.53 O ATOM 1342 HA SER A 90 12.950 38.076 11.621 1.00 0.00 H ATOM 1343 HB2 SER A 90 15.347 39.745 10.740 1.00 0.00 H ATOM 1344 HB3 SER A 90 14.745 38.265 9.956 1.00 0.00 H ATOM 1345 HG SER A 90 15.780 38.468 12.634 1.00 0.00 H ATOM 1346 H SER A 90 13.088 40.204 9.746 1.00 0.00 H ATOM 1347 N LYS A 91 13.361 38.799 13.920 1.00 23.94 N ATOM 1348 CA LYS A 91 13.463 39.213 15.313 1.00 23.92 C ATOM 1349 C LYS A 91 13.829 38.010 16.179 1.00 23.42 C ATOM 1350 O LYS A 91 13.040 37.074 16.307 1.00 23.23 O ATOM 1351 CB LYS A 91 12.141 39.830 15.785 1.00 23.94 C ATOM 1352 CG LYS A 91 12.270 40.726 17.010 1.00 24.33 C ATOM 1353 CD LYS A 91 10.937 41.324 17.433 1.00 24.60 C ATOM 1354 CE LYS A 91 10.174 40.411 18.387 1.00 25.31 C ATOM 1355 NZ LYS A 91 9.066 41.134 19.058 1.00 26.05 N ATOM 1356 HA LYS A 91 14.244 39.968 15.405 1.00 0.00 H ATOM 1357 HB2 LYS A 91 11.731 40.424 14.969 1.00 0.00 H ATOM 1358 HB3 LYS A 91 11.452 39.020 16.025 1.00 0.00 H ATOM 1359 HG2 LYS A 91 12.667 40.136 17.836 1.00 0.00 H ATOM 1360 HG3 LYS A 91 12.961 41.537 16.780 1.00 0.00 H ATOM 1361 HD2 LYS A 91 11.121 42.277 17.930 1.00 0.00 H ATOM 1362 HD3 LYS A 91 10.329 41.491 16.544 1.00 0.00 H ATOM 1363 HE2 LYS A 91 10.862 40.034 19.144 1.00 0.00 H ATOM 1364 HE3 LYS A 91 9.762 39.574 17.824 1.00 0.00 H ATOM 1365 HZ1 LYS A 91 9.453 41.931 19.602 1.00 0.00 H ATOM 1366 HZ2 LYS A 91 8.403 41.492 18.341 1.00 0.00 H ATOM 1367 HZ3 LYS A 91 8.568 40.484 19.699 1.00 0.00 H ATOM 1368 H LYS A 91 13.062 37.826 13.707 1.00 0.00 H ATOM 1369 N TYR A 92 15.027 38.041 16.763 1.00 23.10 N ATOM 1370 CA TYR A 92 15.479 36.988 17.676 1.00 22.98 C ATOM 1371 C TYR A 92 14.407 36.725 18.743 1.00 22.88 C ATOM 1372 O TYR A 92 13.812 37.674 19.256 1.00 23.12 O ATOM 1373 CB TYR A 92 16.814 37.373 18.334 1.00 23.01 C ATOM 1374 CG TYR A 92 17.403 36.282 19.202 1.00 22.99 C ATOM 1375 CD1 TYR A 92 18.219 35.294 18.654 1.00 22.98 C ATOM 1376 CD2 TYR A 92 17.128 36.224 20.571 1.00 23.16 C ATOM 1377 CE1 TYR A 92 18.752 34.281 19.443 1.00 23.06 C ATOM 1378 CE2 TYR A 92 17.655 35.212 21.370 1.00 22.98 C ATOM 1379 CZ TYR A 92 18.468 34.246 20.797 1.00 23.61 C ATOM 1380 OH TYR A 92 18.994 33.245 21.580 1.00 24.20 O ATOM 1381 HA TYR A 92 15.638 36.074 17.103 1.00 0.00 H ATOM 1382 HB3 TYR A 92 16.651 38.255 18.953 1.00 0.00 H ATOM 1383 HB2 TYR A 92 17.530 37.611 17.547 1.00 0.00 H ATOM 1384 HD2 TYR A 92 16.490 36.984 21.021 1.00 0.00 H ATOM 1385 HE2 TYR A 92 17.430 35.180 22.436 1.00 0.00 H ATOM 1386 HE1 TYR A 92 19.390 33.518 18.997 1.00 0.00 H ATOM 1387 HD1 TYR A 92 18.443 35.316 17.588 1.00 0.00 H ATOM 1388 HH TYR A 92 19.546 32.645 21.019 1.00 0.00 H ATOM 1389 H TYR A 92 15.662 38.840 16.564 1.00 0.00 H ATOM 1390 N PRO A 93 14.157 35.443 19.087 1.00 22.70 N ATOM 1391 CA PRO A 93 14.844 34.226 18.640 1.00 22.51 C ATOM 1392 C PRO A 93 14.349 33.648 17.313 1.00 22.19 C ATOM 1393 O PRO A 93 14.805 32.578 16.905 1.00 22.62 O ATOM 1394 CB PRO A 93 14.597 33.248 19.792 1.00 22.49 C ATOM 1395 CG PRO A 93 13.298 33.685 20.395 1.00 22.72 C ATOM 1396 CD PRO A 93 13.070 35.135 20.036 1.00 22.65 C ATOM 1397 HA PRO A 93 15.894 34.432 18.431 1.00 0.00 H ATOM 1398 HD3 PRO A 93 12.096 35.270 19.566 1.00 0.00 H ATOM 1399 HD2 PRO A 93 13.136 35.769 20.920 1.00 0.00 H ATOM 1400 HG3 PRO A 93 13.340 33.576 21.479 1.00 0.00 H ATOM 1401 HG2 PRO A 93 12.485 33.075 20.001 1.00 0.00 H ATOM 1402 HB2 PRO A 93 14.523 32.226 19.419 1.00 0.00 H ATOM 1403 HB3 PRO A 93 15.401 33.308 20.526 1.00 0.00 H ATOM 1404 N ASN A 94 13.451 34.362 16.641 1.00 21.51 N ATOM 1405 CA ASN A 94 12.971 33.969 15.320 1.00 20.67 C ATOM 1406 C ASN A 94 13.741 34.695 14.223 1.00 20.09 C ATOM 1407 O ASN A 94 13.267 35.683 13.651 1.00 20.25 O ATOM 1408 CB ASN A 94 11.468 34.226 15.198 1.00 21.01 C ATOM 1409 CG ASN A 94 10.666 33.492 16.253 1.00 21.02 C ATOM 1410 OD1 ASN A 94 9.987 34.108 17.076 1.00 21.84 O ATOM 1411 ND2 ASN A 94 10.751 32.168 16.243 1.00 21.82 N ATOM 1412 HA ASN A 94 13.145 32.900 15.196 1.00 0.00 H ATOM 1413 HB2 ASN A 94 11.286 35.296 15.302 1.00 0.00 H ATOM 1414 HB3 ASN A 94 11.136 33.896 14.214 1.00 0.00 H ATOM 1415 HD22 ASN A 94 11.337 31.690 15.529 1.00 0.00 H ATOM 1416 HD21 ASN A 94 10.232 31.608 16.949 1.00 0.00 H ATOM 1417 H ASN A 94 13.077 35.232 17.072 1.00 0.00 H ATOM 1418 N CYS A 95 14.944 34.203 13.946 1.00 19.01 N ATOM 1419 CA CYS A 95 15.801 34.800 12.933 1.00 18.01 C ATOM 1420 C CYS A 95 15.295 34.430 11.545 1.00 17.14 C ATOM 1421 O CYS A 95 14.986 33.263 11.285 1.00 18.67 O ATOM 1422 CB CYS A 95 17.246 34.337 13.126 1.00 17.66 C ATOM 1423 SG CYS A 95 17.930 34.746 14.749 1.00 17.51 S ATOM 1424 HA CYS A 95 15.774 35.885 13.034 1.00 0.00 H ATOM 1425 HB2 CYS A 95 17.864 34.810 12.363 1.00 0.00 H ATOM 1426 HB3 CYS A 95 17.281 33.255 13.001 1.00 0.00 H ATOM 1427 H CYS A 95 15.282 33.369 14.467 1.00 0.00 H ATOM 1428 N ALA A 96 15.193 35.425 10.669 1.00 15.17 N ATOM 1429 CA ALA A 96 14.734 35.206 9.300 1.00 13.33 C ATOM 1430 C ALA A 96 15.672 35.872 8.314 1.00 12.32 C ATOM 1431 O ALA A 96 16.091 37.014 8.515 1.00 11.41 O ATOM 1432 CB ALA A 96 13.314 35.719 9.111 1.00 13.33 C ATOM 1433 HA ALA A 96 14.734 34.132 9.112 1.00 0.00 H ATOM 1434 HB1 ALA A 96 12.645 35.193 9.792 1.00 0.00 H ATOM 1435 HB2 ALA A 96 13.284 36.788 9.323 1.00 0.00 H ATOM 1436 HB3 ALA A 96 12.999 35.542 8.083 1.00 0.00 H ATOM 1437 H ALA A 96 15.448 36.388 10.968 1.00 0.00 H ATOM 1438 N TYR A 97 15.977 35.157 7.237 1.00 10.95 N ATOM 1439 CA TYR A 97 16.968 35.600 6.277 1.00 10.36 C ATOM 1440 C TYR A 97 16.468 35.564 4.850 1.00 10.26 C ATOM 1441 O TYR A 97 15.716 34.661 4.459 1.00 10.23 O ATOM 1442 CB TYR A 97 18.226 34.724 6.383 1.00 9.89 C ATOM 1443 CG TYR A 97 18.963 34.909 7.680 1.00 9.23 C ATOM 1444 CD1 TYR A 97 19.906 35.929 7.825 1.00 8.90 C ATOM 1445 CD2 TYR A 97 18.705 34.083 8.775 1.00 8.91 C ATOM 1446 CE1 TYR A 97 20.576 36.114 9.031 1.00 8.75 C ATOM 1447 CE2 TYR A 97 19.373 34.260 9.984 1.00 7.98 C ATOM 1448 CZ TYR A 97 20.306 35.274 10.103 1.00 8.76 C ATOM 1449 OH TYR A 97 20.966 35.451 11.294 1.00 9.13 O ATOM 1450 HA TYR A 97 17.194 36.638 6.522 1.00 0.00 H ATOM 1451 HB3 TYR A 97 18.897 34.978 5.563 1.00 0.00 H ATOM 1452 HB2 TYR A 97 17.930 33.679 6.298 1.00 0.00 H ATOM 1453 HD2 TYR A 97 17.968 33.285 8.682 1.00 0.00 H ATOM 1454 HE2 TYR A 97 19.162 33.605 10.829 1.00 0.00 H ATOM 1455 HE1 TYR A 97 21.309 36.914 9.133 1.00 0.00 H ATOM 1456 HD1 TYR A 97 20.120 36.588 6.984 1.00 0.00 H ATOM 1457 HH TYR A 97 21.594 36.212 11.212 1.00 0.00 H ATOM 1458 H TYR A 97 15.490 34.252 7.078 1.00 0.00 H ATOM 1459 N LYS A 98 16.903 36.553 4.077 1.00 9.88 N ATOM 1460 CA LYS A 98 16.772 36.512 2.635 1.00 10.01 C ATOM 1461 C LYS A 98 17.993 35.797 2.075 1.00 9.43 C ATOM 1462 O LYS A 98 19.137 36.171 2.366 1.00 8.94 O ATOM 1463 CB LYS A 98 16.673 37.925 2.049 1.00 10.27 C ATOM 1464 CG LYS A 98 15.707 38.062 0.874 1.00 13.58 C ATOM 1465 CD LYS A 98 16.122 37.261 -0.357 1.00 16.16 C ATOM 1466 CE LYS A 98 14.965 37.128 -1.340 1.00 18.07 C ATOM 1467 NZ LYS A 98 15.242 36.109 -2.390 1.00 20.05 N ATOM 1468 HA LYS A 98 15.859 35.982 2.365 1.00 0.00 H ATOM 1469 HB2 LYS A 98 16.344 38.599 2.840 1.00 0.00 H ATOM 1470 HB3 LYS A 98 17.665 38.223 1.710 1.00 0.00 H ATOM 1471 HG2 LYS A 98 14.724 37.717 1.194 1.00 0.00 H ATOM 1472 HG3 LYS A 98 15.649 39.115 0.597 1.00 0.00 H ATOM 1473 HD2 LYS A 98 16.952 37.768 -0.849 1.00 0.00 H ATOM 1474 HD3 LYS A 98 16.440 36.266 -0.044 1.00 0.00 H ATOM 1475 HE2 LYS A 98 14.797 38.092 -1.820 1.00 0.00 H ATOM 1476 HE3 LYS A 98 14.069 36.836 -0.792 1.00 0.00 H ATOM 1477 HZ1 LYS A 98 16.092 36.384 -2.922 1.00 0.00 H ATOM 1478 HZ2 LYS A 98 15.397 35.184 -1.941 1.00 0.00 H ATOM 1479 HZ3 LYS A 98 14.430 36.050 -3.037 1.00 0.00 H ATOM 1480 H LYS A 98 17.351 37.381 4.520 1.00 0.00 H ATOM 1481 N THR A 99 17.732 34.749 1.298 1.00 8.77 N ATOM 1482 CA THR A 99 18.764 33.980 0.617 1.00 8.59 C ATOM 1483 C THR A 99 18.944 34.512 -0.800 1.00 8.52 C ATOM 1484 O THR A 99 17.984 34.553 -1.573 1.00 8.87 O ATOM 1485 CB THR A 99 18.375 32.483 0.559 1.00 8.40 C ATOM 1486 OG1 THR A 99 18.264 31.975 1.891 1.00 8.38 O ATOM 1487 CG2 THR A 99 19.398 31.667 -0.218 1.00 8.31 C ATOM 1488 HA THR A 99 19.698 34.080 1.171 1.00 0.00 H ATOM 1489 HB THR A 99 17.420 32.397 0.041 1.00 0.00 H ATOM 1490 HG1 THR A 99 19.133 32.076 2.355 1.00 0.00 H ATOM 1491 HG23 THR A 99 19.479 32.058 -1.232 1.00 0.00 H ATOM 1492 HG21 THR A 99 20.367 31.735 0.277 1.00 0.00 H ATOM 1493 HG22 THR A 99 19.079 30.625 -0.253 1.00 0.00 H ATOM 1494 H THR A 99 16.740 34.464 1.170 1.00 0.00 H ATOM 1495 N THR A 100 20.169 34.921 -1.128 1.00 8.60 N ATOM 1496 CA THR A 100 20.501 35.368 -2.479 1.00 8.80 C ATOM 1497 C THR A 100 21.734 34.646 -2.998 1.00 8.65 C ATOM 1498 O THR A 100 22.811 34.732 -2.408 1.00 8.97 O ATOM 1499 CB THR A 100 20.770 36.878 -2.541 1.00 9.04 C ATOM 1500 OG1 THR A 100 19.751 37.575 -1.818 1.00 9.59 O ATOM 1501 CG2 THR A 100 20.786 37.352 -3.991 1.00 10.21 C ATOM 1502 HA THR A 100 19.635 35.136 -3.098 1.00 0.00 H ATOM 1503 HB THR A 100 21.742 37.084 -2.093 1.00 0.00 H ATOM 1504 HG1 THR A 100 19.756 37.277 -0.874 1.00 0.00 H ATOM 1505 HG23 THR A 100 21.564 36.819 -4.538 1.00 0.00 H ATOM 1506 HG21 THR A 100 19.817 37.152 -4.448 1.00 0.00 H ATOM 1507 HG22 THR A 100 20.989 38.423 -4.020 1.00 0.00 H ATOM 1508 H THR A 100 20.912 34.922 -0.400 1.00 0.00 H ATOM 1509 N GLN A 101 21.561 33.935 -4.104 1.00 8.73 N ATOM 1510 CA GLN A 101 22.679 33.296 -4.776 1.00 8.89 C ATOM 1511 C GLN A 101 23.269 34.259 -5.795 1.00 8.26 C ATOM 1512 O GLN A 101 22.564 34.764 -6.679 1.00 7.95 O ATOM 1513 CB GLN A 101 22.235 32.006 -5.452 1.00 9.34 C ATOM 1514 CG GLN A 101 21.688 30.964 -4.470 1.00 12.20 C ATOM 1515 CD GLN A 101 21.321 29.661 -5.147 1.00 15.31 C ATOM 1516 OE1 GLN A 101 22.107 29.098 -5.911 1.00 19.07 O ATOM 1517 NE2 GLN A 101 20.125 29.167 -4.863 1.00 17.68 N ATOM 1518 HA GLN A 101 23.441 33.041 -4.039 1.00 0.00 H ATOM 1519 HB2 GLN A 101 21.454 32.245 -6.174 1.00 0.00 H ATOM 1520 HB3 GLN A 101 23.091 31.576 -5.973 1.00 0.00 H ATOM 1521 HG2 GLN A 101 22.448 30.763 -3.715 1.00 0.00 H ATOM 1522 HG3 GLN A 101 20.798 31.370 -3.989 1.00 0.00 H ATOM 1523 HE22 GLN A 101 19.493 29.676 -4.212 1.00 0.00 H ATOM 1524 HE21 GLN A 101 19.818 28.270 -5.291 1.00 0.00 H ATOM 1525 H GLN A 101 20.604 33.833 -4.499 1.00 0.00 H ATOM 1526 N VAL A 102 24.562 34.529 -5.645 1.00 7.31 N ATOM 1527 CA VAL A 102 25.265 35.441 -6.536 1.00 7.71 C ATOM 1528 C VAL A 102 26.640 34.894 -6.873 1.00 7.60 C ATOM 1529 O VAL A 102 27.147 33.987 -6.203 1.00 8.15 O ATOM 1530 CB VAL A 102 25.421 36.868 -5.922 1.00 7.52 C ATOM 1531 CG1 VAL A 102 24.075 37.595 -5.854 1.00 8.25 C ATOM 1532 CG2 VAL A 102 26.081 36.803 -4.546 1.00 8.94 C ATOM 1533 HA VAL A 102 24.661 35.525 -7.440 1.00 0.00 H ATOM 1534 HB VAL A 102 26.073 37.442 -6.580 1.00 0.00 H ATOM 1535 HG11 VAL A 102 23.665 37.692 -6.859 1.00 0.00 H ATOM 1536 HG12 VAL A 102 23.386 37.023 -5.233 1.00 0.00 H ATOM 1537 HG13 VAL A 102 24.220 38.585 -5.422 1.00 0.00 H ATOM 1538 HG21 VAL A 102 25.466 36.200 -3.878 1.00 0.00 H ATOM 1539 HG22 VAL A 102 27.069 36.352 -4.639 1.00 0.00 H ATOM 1540 HG23 VAL A 102 26.177 37.811 -4.142 1.00 0.00 H ATOM 1541 H VAL A 102 25.086 34.076 -4.869 1.00 0.00 H ATOM 1542 N GLU A 103 27.248 35.460 -7.906 1.00 7.54 N ATOM 1543 CA GLU A 103 28.639 35.189 -8.214 1.00 8.04 C ATOM 1544 C GLU A 103 29.388 36.501 -8.047 1.00 7.75 C ATOM 1545 O GLU A 103 29.118 37.475 -8.749 1.00 7.44 O ATOM 1546 CB GLU A 103 28.796 34.621 -9.629 1.00 8.12 C ATOM 1547 CG GLU A 103 28.092 33.285 -9.827 1.00 9.75 C ATOM 1548 CD GLU A 103 28.227 32.751 -11.236 1.00 10.01 C ATOM 1549 OE1 GLU A 103 29.370 32.525 -11.685 1.00 13.22 O ATOM 1550 OE2 GLU A 103 27.186 32.558 -11.903 1.00 13.76 O ATOM 1551 HA GLU A 103 29.045 34.431 -7.544 1.00 0.00 H ATOM 1552 HB2 GLU A 103 28.382 35.338 -10.337 1.00 0.00 H ATOM 1553 HB3 GLU A 103 29.858 34.485 -9.831 1.00 0.00 H ATOM 1554 HG2 GLU A 103 28.522 32.559 -9.137 1.00 0.00 H ATOM 1555 HG3 GLU A 103 27.033 33.413 -9.603 1.00 0.00 H ATOM 1556 H GLU A 103 26.714 36.115 -8.511 1.00 0.00 H ATOM 1557 N LYS A 104 30.303 36.522 -7.081 1.00 7.92 N ATOM 1558 CA LYS A 104 31.065 37.721 -6.744 1.00 8.36 C ATOM 1559 C LYS A 104 32.489 37.347 -6.383 1.00 8.10 C ATOM 1560 O LYS A 104 32.765 36.198 -6.026 1.00 8.12 O ATOM 1561 CB LYS A 104 30.434 38.428 -5.540 1.00 8.44 C ATOM 1562 CG LYS A 104 29.130 39.145 -5.833 1.00 8.91 C ATOM 1563 CD LYS A 104 28.524 39.735 -4.573 1.00 9.42 C ATOM 1564 CE LYS A 104 29.029 41.141 -4.329 1.00 11.14 C ATOM 1565 NZ LYS A 104 28.426 41.740 -3.097 1.00 10.95 N ATOM 1566 HA LYS A 104 31.059 38.383 -7.610 1.00 0.00 H ATOM 1567 HB2 LYS A 104 30.244 37.681 -4.769 1.00 0.00 H ATOM 1568 HB3 LYS A 104 31.148 39.162 -5.165 1.00 0.00 H ATOM 1569 HG2 LYS A 104 29.319 39.948 -6.545 1.00 0.00 H ATOM 1570 HG3 LYS A 104 28.425 38.436 -6.267 1.00 0.00 H ATOM 1571 HD2 LYS A 104 27.439 39.760 -4.678 1.00 0.00 H ATOM 1572 HD3 LYS A 104 28.791 39.108 -3.722 1.00 0.00 H ATOM 1573 HE2 LYS A 104 28.772 41.763 -5.187 1.00 0.00 H ATOM 1574 HE3 LYS A 104 30.113 41.112 -4.214 1.00 0.00 H ATOM 1575 HZ1 LYS A 104 27.392 41.777 -3.201 1.00 0.00 H ATOM 1576 HZ2 LYS A 104 28.672 41.156 -2.273 1.00 0.00 H ATOM 1577 HZ3 LYS A 104 28.796 42.703 -2.964 1.00 0.00 H ATOM 1578 H LYS A 104 30.483 35.649 -6.545 1.00 0.00 H ATOM 1579 N HIS A 105 33.396 38.317 -6.460 1.00 7.98 N ATOM 1580 CA HIS A 105 34.719 38.118 -5.880 1.00 8.40 C ATOM 1581 C HIS A 105 34.569 38.135 -4.366 1.00 7.96 C ATOM 1582 O HIS A 105 33.713 38.840 -3.825 1.00 8.44 O ATOM 1583 CB HIS A 105 35.695 39.205 -6.323 1.00 8.63 C ATOM 1584 CG HIS A 105 35.880 39.277 -7.805 1.00 9.90 C ATOM 1585 ND1 HIS A 105 36.898 38.618 -8.461 1.00 11.24 N ATOM 1586 CD2 HIS A 105 35.166 39.916 -8.762 1.00 11.79 C ATOM 1587 CE1 HIS A 105 36.807 38.856 -9.758 1.00 11.23 C ATOM 1588 NE2 HIS A 105 35.761 39.634 -9.967 1.00 12.55 N ATOM 1589 HA HIS A 105 35.125 37.165 -6.220 1.00 0.00 H ATOM 1590 HB2 HIS A 105 35.320 40.168 -5.975 1.00 0.00 H ATOM 1591 HB3 HIS A 105 36.664 39.007 -5.864 1.00 0.00 H ATOM 1592 HD2 HIS A 105 34.284 40.538 -8.605 1.00 0.00 H ATOM 1593 HE1 HIS A 105 37.481 38.475 -10.525 1.00 0.00 H ATOM 1594 H HIS A 105 33.162 39.214 -6.932 1.00 0.00 H ATOM 1595 N ILE A 106 35.367 37.331 -3.680 1.00 7.41 N ATOM 1596 CA ILE A 106 35.351 37.358 -2.223 1.00 6.88 C ATOM 1597 C ILE A 106 36.611 38.013 -1.684 1.00 6.67 C ATOM 1598 O ILE A 106 37.660 37.961 -2.316 1.00 6.59 O ATOM 1599 CB ILE A 106 35.135 35.943 -1.587 1.00 6.61 C ATOM 1600 CG1 ILE A 106 36.333 35.010 -1.836 1.00 6.64 C ATOM 1601 CG2 ILE A 106 33.803 35.337 -2.080 1.00 7.67 C ATOM 1602 CD1 ILE A 106 36.319 33.734 -0.980 1.00 6.72 C ATOM 1603 HA ILE A 106 34.490 37.959 -1.930 1.00 0.00 H ATOM 1604 HB ILE A 106 35.069 36.059 -0.505 1.00 0.00 H ATOM 1605 HG12 ILE A 106 36.329 34.719 -2.886 1.00 0.00 H ATOM 1606 HG13 ILE A 106 37.248 35.560 -1.617 1.00 0.00 H ATOM 1607 HD11 ILE A 106 36.336 34.006 0.075 1.00 0.00 H ATOM 1608 HD12 ILE A 106 35.416 33.163 -1.195 1.00 0.00 H ATOM 1609 HD13 ILE A 106 37.196 33.131 -1.215 1.00 0.00 H ATOM 1610 HG21 ILE A 106 32.979 35.989 -1.790 1.00 0.00 H ATOM 1611 HG22 ILE A 106 33.828 35.242 -3.166 1.00 0.00 H ATOM 1612 HG23 ILE A 106 33.664 34.354 -1.631 1.00 0.00 H ATOM 1613 H ILE A 106 36.005 36.680 -4.181 1.00 0.00 H ATOM 1614 N ILE A 107 36.489 38.653 -0.525 1.00 6.37 N ATOM 1615 CA ILE A 107 37.642 39.209 0.167 1.00 6.24 C ATOM 1616 C ILE A 107 37.673 38.553 1.528 1.00 6.42 C ATOM 1617 O ILE A 107 36.679 38.587 2.270 1.00 6.32 O ATOM 1618 CB ILE A 107 37.564 40.746 0.302 1.00 6.28 C ATOM 1619 CG1 ILE A 107 37.562 41.400 -1.085 1.00 5.98 C ATOM 1620 CG2 ILE A 107 38.741 41.271 1.123 1.00 6.10 C ATOM 1621 CD1 ILE A 107 37.310 42.901 -1.076 1.00 6.98 C ATOM 1622 HA ILE A 107 38.552 39.011 -0.400 1.00 0.00 H ATOM 1623 HB ILE A 107 36.637 41.000 0.816 1.00 0.00 H ATOM 1624 HG12 ILE A 107 38.533 41.220 -1.548 1.00 0.00 H ATOM 1625 HG13 ILE A 107 36.783 40.927 -1.683 1.00 0.00 H ATOM 1626 HD11 ILE A 107 36.336 43.102 -0.629 1.00 0.00 H ATOM 1627 HD12 ILE A 107 38.088 43.395 -0.493 1.00 0.00 H ATOM 1628 HD13 ILE A 107 37.326 43.277 -2.099 1.00 0.00 H ATOM 1629 HG21 ILE A 107 38.716 40.826 2.118 1.00 0.00 H ATOM 1630 HG22 ILE A 107 39.675 41.005 0.628 1.00 0.00 H ATOM 1631 HG23 ILE A 107 38.669 42.355 1.207 1.00 0.00 H ATOM 1632 H ILE A 107 35.545 38.759 -0.102 1.00 0.00 H ATOM 1633 N VAL A 108 38.796 37.909 1.824 1.00 6.30 N ATOM 1634 CA VAL A 108 38.982 37.241 3.112 1.00 6.41 C ATOM 1635 C VAL A 108 40.250 37.718 3.796 1.00 6.59 C ATOM 1636 O VAL A 108 41.208 38.118 3.131 1.00 6.90 O ATOM 1637 CB VAL A 108 39.033 35.695 2.966 1.00 6.46 C ATOM 1638 CG1 VAL A 108 37.716 35.164 2.388 1.00 6.86 C ATOM 1639 CG2 VAL A 108 40.222 35.255 2.095 1.00 7.41 C ATOM 1640 HA VAL A 108 38.118 37.502 3.723 1.00 0.00 H ATOM 1641 HB VAL A 108 39.172 35.270 3.960 1.00 0.00 H ATOM 1642 HG11 VAL A 108 36.895 35.430 3.054 1.00 0.00 H ATOM 1643 HG12 VAL A 108 37.547 35.607 1.406 1.00 0.00 H ATOM 1644 HG13 VAL A 108 37.773 34.080 2.294 1.00 0.00 H ATOM 1645 HG21 VAL A 108 40.126 35.695 1.102 1.00 0.00 H ATOM 1646 HG22 VAL A 108 41.151 35.591 2.554 1.00 0.00 H ATOM 1647 HG23 VAL A 108 40.228 34.168 2.013 1.00 0.00 H ATOM 1648 H VAL A 108 39.563 37.879 1.122 1.00 0.00 H ATOM 1649 N ALA A 109 40.254 37.675 5.127 1.00 6.82 N ATOM 1650 CA ALA A 109 41.497 37.855 5.869 1.00 6.70 C ATOM 1651 C ALA A 109 42.164 36.496 6.015 1.00 6.62 C ATOM 1652 O ALA A 109 41.494 35.486 6.279 1.00 6.83 O ATOM 1653 CB ALA A 109 41.243 38.463 7.234 1.00 7.01 C ATOM 1654 HA ALA A 109 42.145 38.542 5.325 1.00 0.00 H ATOM 1655 HB1 ALA A 109 40.767 39.436 7.114 1.00 0.00 H ATOM 1656 HB2 ALA A 109 40.589 37.806 7.807 1.00 0.00 H ATOM 1657 HB3 ALA A 109 42.191 38.583 7.759 1.00 0.00 H ATOM 1658 H ALA A 109 39.365 37.512 5.641 1.00 0.00 H ATOM 1659 N CYS A 110 43.482 36.477 5.836 1.00 6.62 N ATOM 1660 CA CYS A 110 44.271 35.256 5.969 1.00 7.39 C ATOM 1661 C CYS A 110 45.238 35.369 7.131 1.00 7.37 C ATOM 1662 O CYS A 110 45.915 36.389 7.304 1.00 7.98 O ATOM 1663 CB CYS A 110 45.023 34.948 4.676 1.00 7.75 C ATOM 1664 SG CYS A 110 43.891 34.683 3.293 1.00 8.73 S ATOM 1665 HA CYS A 110 43.586 34.432 6.168 1.00 0.00 H ATOM 1666 HB2 CYS A 110 45.622 34.049 4.821 1.00 0.00 H ATOM 1667 HB3 CYS A 110 45.679 35.786 4.440 1.00 0.00 H ATOM 1668 H CYS A 110 43.968 37.364 5.593 1.00 0.00 H ATOM 1669 N GLY A 111 45.288 34.312 7.933 1.00 7.24 N ATOM 1670 CA GLY A 111 46.108 34.314 9.133 1.00 6.72 C ATOM 1671 C GLY A 111 46.540 32.919 9.529 1.00 5.98 C ATOM 1672 O GLY A 111 46.076 31.912 8.968 1.00 5.88 O ATOM 1673 HA3 GLY A 111 45.534 34.750 9.951 1.00 0.00 H ATOM 1674 HA2 GLY A 111 46.996 34.919 8.951 1.00 0.00 H ATOM 1675 H GLY A 111 44.730 33.467 7.698 1.00 0.00 H ATOM 1676 N GLY A 112 47.431 32.867 10.507 1.00 5.75 N ATOM 1677 CA GLY A 112 47.981 31.611 10.971 1.00 5.42 C ATOM 1678 C GLY A 112 49.108 31.093 10.099 1.00 5.51 C ATOM 1679 O GLY A 112 49.547 31.751 9.148 1.00 5.17 O ATOM 1680 HA3 GLY A 112 47.184 30.868 10.985 1.00 0.00 H ATOM 1681 HA2 GLY A 112 48.362 31.752 11.982 1.00 0.00 H ATOM 1682 H GLY A 112 47.744 33.752 10.954 1.00 0.00 H ATOM 1683 N LYS A 113 49.596 29.911 10.461 1.00 5.32 N ATOM 1684 CA LYS A 113 50.610 29.209 9.694 1.00 5.88 C ATOM 1685 C LYS A 113 50.163 27.749 9.627 1.00 5.32 C ATOM 1686 O LYS A 113 50.088 27.085 10.658 1.00 5.31 O ATOM 1687 CB LYS A 113 51.975 29.303 10.383 1.00 6.22 C ATOM 1688 CG LYS A 113 52.492 30.714 10.576 1.00 9.16 C ATOM 1689 CD LYS A 113 53.782 30.729 11.369 1.00 13.12 C ATOM 1690 CE LYS A 113 54.202 32.162 11.701 1.00 15.73 C ATOM 1691 NZ LYS A 113 55.546 32.227 12.329 1.00 18.06 N ATOM 1692 HA LYS A 113 50.716 29.646 8.701 1.00 0.00 H ATOM 1693 HB2 LYS A 113 51.893 28.834 11.364 1.00 0.00 H ATOM 1694 HB3 LYS A 113 52.699 28.756 9.779 1.00 0.00 H ATOM 1695 HG2 LYS A 113 52.671 31.163 9.599 1.00 0.00 H ATOM 1696 HG3 LYS A 113 51.741 31.297 11.110 1.00 0.00 H ATOM 1697 HD2 LYS A 113 53.638 30.175 12.297 1.00 0.00 H ATOM 1698 HD3 LYS A 113 54.568 30.253 10.782 1.00 0.00 H ATOM 1699 HE2 LYS A 113 53.473 32.590 12.389 1.00 0.00 H ATOM 1700 HE3 LYS A 113 54.217 32.745 10.780 1.00 0.00 H ATOM 1701 HZ1 LYS A 113 55.541 31.680 13.214 1.00 0.00 H ATOM 1702 HZ2 LYS A 113 56.251 31.828 11.677 1.00 0.00 H ATOM 1703 HZ3 LYS A 113 55.784 33.218 12.534 1.00 0.00 H ATOM 1704 H LYS A 113 49.236 29.470 11.331 1.00 0.00 H ATOM 1705 N PRO A 114 49.825 27.256 8.425 1.00 5.67 N ATOM 1706 CA PRO A 114 49.822 27.950 7.138 1.00 6.06 C ATOM 1707 C PRO A 114 48.807 29.082 7.126 1.00 6.07 C ATOM 1708 O PRO A 114 47.836 29.059 7.893 1.00 6.16 O ATOM 1709 CB PRO A 114 49.399 26.859 6.144 1.00 6.35 C ATOM 1710 CG PRO A 114 48.712 25.842 6.954 1.00 7.45 C ATOM 1711 CD PRO A 114 49.357 25.865 8.298 1.00 5.71 C ATOM 1712 HA PRO A 114 50.787 28.402 6.907 1.00 0.00 H ATOM 1713 HD3 PRO A 114 48.638 25.621 9.081 1.00 0.00 H ATOM 1714 HD2 PRO A 114 50.192 25.166 8.343 1.00 0.00 H ATOM 1715 HG3 PRO A 114 48.825 24.858 6.499 1.00 0.00 H ATOM 1716 HG2 PRO A 114 47.652 26.082 7.040 1.00 0.00 H ATOM 1717 HB2 PRO A 114 48.725 27.268 5.392 1.00 0.00 H ATOM 1718 HB3 PRO A 114 50.272 26.430 5.653 1.00 0.00 H ATOM 1719 N SER A 115 49.028 30.061 6.255 1.00 6.01 N ATOM 1720 CA SER A 115 48.132 31.204 6.167 1.00 6.34 C ATOM 1721 C SER A 115 46.869 30.780 5.442 1.00 6.51 C ATOM 1722 O SER A 115 46.918 30.446 4.260 1.00 6.83 O ATOM 1723 CB SER A 115 48.812 32.350 5.419 1.00 6.21 C ATOM 1724 OG SER A 115 47.975 33.490 5.352 1.00 8.75 O ATOM 1725 HA SER A 115 47.880 31.552 7.169 1.00 0.00 H ATOM 1726 HB2 SER A 115 49.048 32.023 4.406 1.00 0.00 H ATOM 1727 HB3 SER A 115 49.733 32.616 5.938 1.00 0.00 H ATOM 1728 HG SER A 115 48.442 34.213 4.863 1.00 0.00 H ATOM 1729 H SER A 115 49.855 30.009 5.626 1.00 0.00 H ATOM 1730 N VAL A 116 45.750 30.779 6.161 1.00 6.33 N ATOM 1731 CA VAL A 116 44.467 30.328 5.620 1.00 6.36 C ATOM 1732 C VAL A 116 43.379 31.356 5.917 1.00 6.41 C ATOM 1733 O VAL A 116 43.579 32.245 6.745 1.00 5.86 O ATOM 1734 CB VAL A 116 44.060 28.947 6.211 1.00 6.53 C ATOM 1735 CG1 VAL A 116 45.062 27.864 5.793 1.00 7.16 C ATOM 1736 CG2 VAL A 116 43.936 29.024 7.730 1.00 7.80 C ATOM 1737 HA VAL A 116 44.579 30.220 4.541 1.00 0.00 H ATOM 1738 HB VAL A 116 43.084 28.676 5.809 1.00 0.00 H ATOM 1739 HG11 VAL A 116 45.083 27.791 4.706 1.00 0.00 H ATOM 1740 HG12 VAL A 116 46.054 28.127 6.160 1.00 0.00 H ATOM 1741 HG13 VAL A 116 44.758 26.907 6.217 1.00 0.00 H ATOM 1742 HG21 VAL A 116 44.894 29.321 8.157 1.00 0.00 H ATOM 1743 HG22 VAL A 116 43.175 29.758 7.994 1.00 0.00 H ATOM 1744 HG23 VAL A 116 43.651 28.047 8.120 1.00 0.00 H ATOM 1745 H VAL A 116 45.788 31.112 7.146 1.00 0.00 H ATOM 1746 N PRO A 117 42.226 31.262 5.231 1.00 6.63 N ATOM 1747 CA PRO A 117 41.159 32.216 5.552 1.00 6.65 C ATOM 1748 C PRO A 117 40.696 32.125 7.012 1.00 6.68 C ATOM 1749 O PRO A 117 40.427 31.027 7.520 1.00 6.71 O ATOM 1750 CB PRO A 117 40.032 31.802 4.600 1.00 6.60 C ATOM 1751 CG PRO A 117 40.742 31.142 3.456 1.00 7.45 C ATOM 1752 CD PRO A 117 41.846 30.373 4.119 1.00 6.71 C ATOM 1753 HA PRO A 117 41.486 33.249 5.435 1.00 0.00 H ATOM 1754 HD3 PRO A 117 41.491 29.410 4.487 1.00 0.00 H ATOM 1755 HD2 PRO A 117 42.681 30.214 3.437 1.00 0.00 H ATOM 1756 HG3 PRO A 117 41.144 31.885 2.767 1.00 0.00 H ATOM 1757 HG2 PRO A 117 40.072 30.473 2.916 1.00 0.00 H ATOM 1758 HB2 PRO A 117 39.351 31.104 5.087 1.00 0.00 H ATOM 1759 HB3 PRO A 117 39.474 32.674 4.258 1.00 0.00 H ATOM 1760 N VAL A 118 40.630 33.276 7.679 1.00 6.18 N ATOM 1761 CA VAL A 118 40.212 33.344 9.080 1.00 6.80 C ATOM 1762 C VAL A 118 39.015 34.270 9.300 1.00 6.61 C ATOM 1763 O VAL A 118 38.384 34.241 10.353 1.00 7.28 O ATOM 1764 CB VAL A 118 41.384 33.749 10.020 1.00 6.29 C ATOM 1765 CG1 VAL A 118 42.440 32.640 10.066 1.00 7.02 C ATOM 1766 CG2 VAL A 118 42.000 35.084 9.581 1.00 7.97 C ATOM 1767 HA VAL A 118 39.896 32.333 9.338 1.00 0.00 H ATOM 1768 HB VAL A 118 40.989 33.883 11.027 1.00 0.00 H ATOM 1769 HG11 VAL A 118 41.985 31.722 10.440 1.00 0.00 H ATOM 1770 HG12 VAL A 118 42.831 32.471 9.063 1.00 0.00 H ATOM 1771 HG13 VAL A 118 43.252 32.941 10.728 1.00 0.00 H ATOM 1772 HG21 VAL A 118 42.381 34.990 8.564 1.00 0.00 H ATOM 1773 HG22 VAL A 118 41.238 35.863 9.614 1.00 0.00 H ATOM 1774 HG23 VAL A 118 42.817 35.345 10.254 1.00 0.00 H ATOM 1775 H VAL A 118 40.884 34.157 7.187 1.00 0.00 H ATOM 1776 N HIS A 119 38.706 35.089 8.302 1.00 6.59 N ATOM 1777 CA HIS A 119 37.571 36.011 8.395 1.00 6.59 C ATOM 1778 C HIS A 119 37.043 36.279 7.003 1.00 6.38 C ATOM 1779 O HIS A 119 37.812 36.342 6.047 1.00 6.46 O ATOM 1780 CB HIS A 119 38.006 37.317 9.071 1.00 7.22 C ATOM 1781 CG HIS A 119 36.878 38.245 9.405 1.00 8.74 C ATOM 1782 ND1 HIS A 119 36.609 39.382 8.674 1.00 10.71 N ATOM 1783 CD2 HIS A 119 35.966 38.218 10.406 1.00 10.04 C ATOM 1784 CE1 HIS A 119 35.569 40.006 9.198 1.00 9.65 C ATOM 1785 NE2 HIS A 119 35.162 39.322 10.253 1.00 10.75 N ATOM 1786 HA HIS A 119 36.781 35.566 9.000 1.00 0.00 H ATOM 1787 HB2 HIS A 119 38.527 37.066 9.995 1.00 0.00 H ATOM 1788 HB3 HIS A 119 38.689 37.838 8.400 1.00 0.00 H ATOM 1789 HD2 HIS A 119 35.885 37.462 11.187 1.00 0.00 H ATOM 1790 HE1 HIS A 119 35.123 40.928 8.824 1.00 0.00 H ATOM 1791 H HIS A 119 39.282 35.076 7.436 1.00 0.00 H ATOM 1792 N PHE A 120 35.729 36.410 6.881 1.00 5.87 N ATOM 1793 CA PHE A 120 35.144 36.823 5.614 1.00 6.03 C ATOM 1794 C PHE A 120 34.923 38.324 5.672 1.00 6.40 C ATOM 1795 O PHE A 120 34.146 38.813 6.492 1.00 7.43 O ATOM 1796 CB PHE A 120 33.821 36.103 5.341 1.00 5.61 C ATOM 1797 CG PHE A 120 33.335 36.279 3.937 1.00 5.10 C ATOM 1798 CD1 PHE A 120 32.605 37.410 3.577 1.00 5.25 C ATOM 1799 CD2 PHE A 120 33.642 35.329 2.965 1.00 5.79 C ATOM 1800 CE1 PHE A 120 32.175 37.588 2.270 1.00 5.92 C ATOM 1801 CE2 PHE A 120 33.214 35.497 1.653 1.00 5.71 C ATOM 1802 CZ PHE A 120 32.483 36.625 1.307 1.00 6.40 C ATOM 1803 HA PHE A 120 35.821 36.562 4.801 1.00 0.00 H ATOM 1804 HB2 PHE A 120 33.960 35.038 5.529 1.00 0.00 H ATOM 1805 HB3 PHE A 120 33.065 36.495 6.022 1.00 0.00 H ATOM 1806 HD2 PHE A 120 34.222 34.447 3.236 1.00 0.00 H ATOM 1807 HE2 PHE A 120 33.451 34.746 0.899 1.00 0.00 H ATOM 1808 HZ PHE A 120 32.148 36.760 0.279 1.00 0.00 H ATOM 1809 HE1 PHE A 120 31.601 38.473 1.997 1.00 0.00 H ATOM 1810 HD1 PHE A 120 32.369 38.162 4.330 1.00 0.00 H ATOM 1811 H PHE A 120 35.113 36.216 7.696 1.00 0.00 H ATOM 1812 N ASP A 121 35.608 39.059 4.800 1.00 6.77 N ATOM 1813 CA ASP A 121 35.588 40.516 4.888 1.00 6.79 C ATOM 1814 C ASP A 121 34.464 41.171 4.087 1.00 6.85 C ATOM 1815 O ASP A 121 33.748 42.047 4.592 1.00 7.12 O ATOM 1816 CB ASP A 121 36.932 41.090 4.454 1.00 6.96 C ATOM 1817 CG ASP A 121 37.152 42.498 4.969 1.00 7.17 C ATOM 1818 OD1 ASP A 121 37.154 42.679 6.207 1.00 9.90 O ATOM 1819 OD2 ASP A 121 37.334 43.415 4.148 1.00 8.18 O ATOM 1820 HA ASP A 121 35.396 40.748 5.935 1.00 0.00 H ATOM 1821 HB2 ASP A 121 37.727 40.449 4.836 1.00 0.00 H ATOM 1822 HB3 ASP A 121 36.971 41.105 3.365 1.00 0.00 H ATOM 1823 H ASP A 121 36.160 38.593 4.052 1.00 0.00 H ATOM 1824 N ALA A 122 34.337 40.756 2.830 1.00 6.55 N ATOM 1825 CA ALA A 122 33.403 41.370 1.895 1.00 6.51 C ATOM 1826 C ALA A 122 33.240 40.513 0.661 1.00 6.82 C ATOM 1827 O ALA A 122 34.080 39.663 0.371 1.00 6.39 O ATOM 1828 CB ALA A 122 33.899 42.750 1.488 1.00 7.05 C ATOM 1829 HA ALA A 122 32.437 41.462 2.392 1.00 0.00 H ATOM 1830 HB1 ALA A 122 33.985 43.380 2.374 1.00 0.00 H ATOM 1831 HB2 ALA A 122 34.875 42.658 1.011 1.00 0.00 H ATOM 1832 HB3 ALA A 122 33.192 43.197 0.789 1.00 0.00 H ATOM 1833 H ALA A 122 34.926 39.964 2.502 1.00 0.00 H ATOM 1834 N SER A 123 32.147 40.746 -0.056 1.00 7.14 N ATOM 1835 CA SER A 123 32.019 40.278 -1.430 1.00 7.23 C ATOM 1836 C SER A 123 31.891 41.504 -2.328 1.00 7.85 C ATOM 1837 O SER A 123 31.274 42.501 -1.939 1.00 7.99 O ATOM 1838 CB SER A 123 30.823 39.338 -1.591 1.00 7.19 C ATOM 1839 OG SER A 123 29.604 39.988 -1.280 1.00 7.29 O ATOM 1840 HA SER A 123 32.899 39.700 -1.712 1.00 0.00 H ATOM 1841 HB2 SER A 123 30.950 38.486 -0.924 1.00 0.00 H ATOM 1842 HB3 SER A 123 30.784 38.988 -2.622 1.00 0.00 H ATOM 1843 HG SER A 123 28.854 39.352 -1.395 1.00 0.00 H ATOM 1844 H SER A 123 31.362 41.276 0.374 1.00 0.00 H ATOM 1845 N VAL A 124 32.500 41.443 -3.510 1.00 8.25 N ATOM 1846 CA VAL A 124 32.535 42.587 -4.426 1.00 9.37 C ATOM 1847 C VAL A 124 32.213 42.177 -5.859 1.00 9.37 C ATOM 1848 O VAL A 124 32.402 41.026 -6.261 1.00 9.06 O ATOM 1849 CB VAL A 124 33.895 43.357 -4.380 1.00 9.65 C ATOM 1850 CG1 VAL A 124 34.079 44.065 -3.042 1.00 10.84 C ATOM 1851 CG2 VAL A 124 35.074 42.431 -4.672 1.00 10.36 C ATOM 1852 HA VAL A 124 31.759 43.268 -4.077 1.00 0.00 H ATOM 1853 OXT VAL A 124 31.749 42.998 -6.649 1.00 9.73 O ATOM 1854 HB VAL A 124 33.868 44.114 -5.164 1.00 0.00 H ATOM 1855 HG11 VAL A 124 33.268 44.779 -2.895 1.00 0.00 H ATOM 1856 HG12 VAL A 124 34.067 43.329 -2.238 1.00 0.00 H ATOM 1857 HG13 VAL A 124 35.033 44.592 -3.039 1.00 0.00 H ATOM 1858 HG21 VAL A 124 35.102 41.635 -3.928 1.00 0.00 H ATOM 1859 HG22 VAL A 124 34.956 41.997 -5.665 1.00 0.00 H ATOM 1860 HG23 VAL A 124 36.002 43.002 -4.631 1.00 0.00 H ATOM 1861 H VAL A 124 32.965 40.557 -3.792 1.00 0.00 H TER 1862 VAL A 124 ATOM 1863 N LYS B 1 39.499 25.533 22.341 1.00 14.94 N ATOM 1864 CA LYS B 1 38.822 26.677 21.670 1.00 14.54 C ATOM 1865 C LYS B 1 38.881 26.493 20.161 1.00 13.84 C ATOM 1866 O LYS B 1 39.930 26.144 19.613 1.00 14.16 O ATOM 1867 CB LYS B 1 39.484 27.999 22.077 1.00 15.06 C ATOM 1868 CG LYS B 1 38.567 29.219 22.054 1.00 16.46 C ATOM 1869 CD LYS B 1 38.741 30.049 20.795 1.00 18.44 C ATOM 1870 CE LYS B 1 38.099 31.419 20.958 1.00 19.48 C ATOM 1871 NZ LYS B 1 38.415 32.319 19.812 1.00 20.24 N ATOM 1872 HA LYS B 1 37.778 26.708 21.981 1.00 0.00 H ATOM 1873 HB2 LYS B 1 39.869 27.886 23.090 1.00 0.00 H ATOM 1874 HB3 LYS B 1 40.312 28.186 21.393 1.00 0.00 H ATOM 1875 HG2 LYS B 1 37.532 28.881 22.111 1.00 0.00 H ATOM 1876 HG3 LYS B 1 38.792 29.843 22.919 1.00 0.00 H ATOM 1877 HD2 LYS B 1 39.805 30.174 20.593 1.00 0.00 H ATOM 1878 HD3 LYS B 1 38.272 29.532 19.958 1.00 0.00 H ATOM 1879 HE2 LYS B 1 38.468 31.875 21.877 1.00 0.00 H ATOM 1880 HE3 LYS B 1 37.018 31.297 21.023 1.00 0.00 H ATOM 1881 HZ1 LYS B 1 39.445 32.446 19.747 1.00 0.00 H ATOM 1882 HZ2 LYS B 1 38.060 31.894 18.931 1.00 0.00 H ATOM 1883 HZ3 LYS B 1 37.959 33.242 19.962 1.00 0.00 H ATOM 1884 HN3 LYS B 1 40.493 25.493 22.036 1.00 0.00 H ATOM 1885 HN2 LYS B 1 39.019 24.647 22.082 1.00 0.00 H ATOM 1886 HN1 LYS B 1 39.456 25.663 23.372 1.00 0.00 H ATOM 1887 N GLU B 2 37.746 26.720 19.501 1.00 12.85 N ATOM 1888 CA GLU B 2 37.637 26.599 18.051 1.00 11.39 C ATOM 1889 C GLU B 2 38.702 27.457 17.366 1.00 10.49 C ATOM 1890 O GLU B 2 38.856 28.634 17.688 1.00 9.91 O ATOM 1891 CB GLU B 2 36.239 27.030 17.596 1.00 11.72 C ATOM 1892 CG GLU B 2 36.001 26.943 16.091 1.00 11.35 C ATOM 1893 CD GLU B 2 34.620 27.434 15.680 1.00 11.66 C ATOM 1894 OE1 GLU B 2 34.146 28.441 16.246 1.00 12.22 O ATOM 1895 OE2 GLU B 2 34.011 26.810 14.787 1.00 12.12 O ATOM 1896 HA GLU B 2 37.796 25.558 17.771 1.00 0.00 H ATOM 1897 HB2 GLU B 2 35.508 26.391 18.093 1.00 0.00 H ATOM 1898 HB3 GLU B 2 36.085 28.064 17.905 1.00 0.00 H ATOM 1899 HG2 GLU B 2 36.751 27.550 15.584 1.00 0.00 H ATOM 1900 HG3 GLU B 2 36.107 25.903 15.781 1.00 0.00 H ATOM 1901 H GLU B 2 36.902 26.995 20.042 1.00 0.00 H ATOM 1902 N SER B 3 39.439 26.862 16.433 1.00 9.78 N ATOM 1903 CA SER B 3 40.449 27.616 15.691 1.00 9.32 C ATOM 1904 C SER B 3 39.771 28.614 14.761 1.00 9.10 C ATOM 1905 O SER B 3 38.632 28.403 14.333 1.00 8.96 O ATOM 1906 CB SER B 3 41.374 26.688 14.896 1.00 9.40 C ATOM 1907 OG SER B 3 40.731 26.212 13.723 1.00 10.02 O ATOM 1908 HA SER B 3 41.065 28.155 16.411 1.00 0.00 H ATOM 1909 HB2 SER B 3 41.650 25.839 15.521 1.00 0.00 H ATOM 1910 HB3 SER B 3 42.272 27.237 14.613 1.00 0.00 H ATOM 1911 HG SER B 3 41.348 25.616 13.228 1.00 0.00 H ATOM 1912 H SER B 3 39.296 25.852 16.229 1.00 0.00 H ATOM 1913 N ALA B 4 40.469 29.707 14.460 1.00 8.75 N ATOM 1914 CA ALA B 4 39.967 30.693 13.505 1.00 8.75 C ATOM 1915 C ALA B 4 39.728 30.060 12.140 1.00 8.60 C ATOM 1916 O ALA B 4 38.758 30.395 11.457 1.00 8.70 O ATOM 1917 CB ALA B 4 40.936 31.858 13.389 1.00 8.71 C ATOM 1918 HA ALA B 4 39.012 31.068 13.874 1.00 0.00 H ATOM 1919 HB1 ALA B 4 41.050 32.332 14.364 1.00 0.00 H ATOM 1920 HB2 ALA B 4 41.904 31.491 13.047 1.00 0.00 H ATOM 1921 HB3 ALA B 4 40.547 32.583 12.674 1.00 0.00 H ATOM 1922 H ALA B 4 41.392 29.863 14.914 1.00 0.00 H ATOM 1923 N ALA B 5 40.610 29.144 11.743 1.00 8.26 N ATOM 1924 CA ALA B 5 40.432 28.440 10.474 1.00 8.58 C ATOM 1925 C ALA B 5 39.142 27.628 10.481 1.00 8.63 C ATOM 1926 O ALA B 5 38.365 27.676 9.526 1.00 8.83 O ATOM 1927 CB ALA B 5 41.622 27.545 10.191 1.00 8.76 C ATOM 1928 HA ALA B 5 40.362 29.183 9.680 1.00 0.00 H ATOM 1929 HB1 ALA B 5 42.526 28.151 10.136 1.00 0.00 H ATOM 1930 HB2 ALA B 5 41.722 26.812 10.992 1.00 0.00 H ATOM 1931 HB3 ALA B 5 41.470 27.030 9.242 1.00 0.00 H ATOM 1932 H ALA B 5 41.433 28.928 12.341 1.00 0.00 H ATOM 1933 N ALA B 6 38.908 26.900 11.572 1.00 8.79 N ATOM 1934 CA ALA B 6 37.696 26.096 11.725 1.00 9.19 C ATOM 1935 C ALA B 6 36.451 26.979 11.804 1.00 8.80 C ATOM 1936 O ALA B 6 35.413 26.649 11.234 1.00 9.40 O ATOM 1937 CB ALA B 6 37.802 25.209 12.956 1.00 8.93 C ATOM 1938 HA ALA B 6 37.598 25.462 10.844 1.00 0.00 H ATOM 1939 HB1 ALA B 6 38.659 24.544 12.851 1.00 0.00 H ATOM 1940 HB2 ALA B 6 37.930 25.832 13.841 1.00 0.00 H ATOM 1941 HB3 ALA B 6 36.892 24.617 13.055 1.00 0.00 H ATOM 1942 H ALA B 6 39.610 26.904 12.340 1.00 0.00 H ATOM 1943 N LYS B 7 36.565 28.107 12.502 1.00 9.21 N ATOM 1944 CA LYS B 7 35.462 29.067 12.587 1.00 9.29 C ATOM 1945 C LYS B 7 35.104 29.586 11.195 1.00 9.09 C ATOM 1946 O LYS B 7 33.921 29.702 10.853 1.00 9.15 O ATOM 1947 CB LYS B 7 35.823 30.232 13.511 1.00 9.53 C ATOM 1948 CG LYS B 7 34.718 31.277 13.647 1.00 10.79 C ATOM 1949 CD LYS B 7 35.112 32.370 14.620 1.00 13.43 C ATOM 1950 CE LYS B 7 34.038 33.443 14.700 1.00 14.57 C ATOM 1951 NZ LYS B 7 34.325 34.415 15.791 1.00 14.93 N ATOM 1952 HA LYS B 7 34.596 28.555 13.006 1.00 0.00 H ATOM 1953 HB2 LYS B 7 36.041 29.831 14.501 1.00 0.00 H ATOM 1954 HB3 LYS B 7 36.713 30.722 13.115 1.00 0.00 H ATOM 1955 HG2 LYS B 7 34.527 31.722 12.670 1.00 0.00 H ATOM 1956 HG3 LYS B 7 33.811 30.791 14.007 1.00 0.00 H ATOM 1957 HD2 LYS B 7 35.254 31.933 15.609 1.00 0.00 H ATOM 1958 HD3 LYS B 7 36.045 32.824 14.287 1.00 0.00 H ATOM 1959 HE2 LYS B 7 33.075 32.969 14.891 1.00 0.00 H ATOM 1960 HE3 LYS B 7 33.997 33.976 13.750 1.00 0.00 H ATOM 1961 HZ1 LYS B 7 34.360 33.913 16.701 1.00 0.00 H ATOM 1962 HZ2 LYS B 7 35.240 34.875 15.612 1.00 0.00 H ATOM 1963 HZ3 LYS B 7 33.574 35.134 15.819 1.00 0.00 H ATOM 1964 H LYS B 7 37.456 28.311 12.998 1.00 0.00 H ATOM 1965 N PHE B 8 36.118 29.889 10.386 1.00 8.40 N ATOM 1966 CA PHE B 8 35.841 30.355 9.034 1.00 8.64 C ATOM 1967 C PHE B 8 35.113 29.272 8.233 1.00 8.58 C ATOM 1968 O PHE B 8 34.146 29.565 7.535 1.00 9.55 O ATOM 1969 CB PHE B 8 37.114 30.811 8.318 1.00 8.55 C ATOM 1970 CG PHE B 8 36.880 31.243 6.894 1.00 7.95 C ATOM 1971 CD1 PHE B 8 36.847 30.299 5.864 1.00 7.72 C ATOM 1972 CD2 PHE B 8 36.665 32.583 6.586 1.00 8.03 C ATOM 1973 CE1 PHE B 8 36.607 30.687 4.550 1.00 7.39 C ATOM 1974 CE2 PHE B 8 36.439 32.984 5.271 1.00 8.22 C ATOM 1975 CZ PHE B 8 36.411 32.034 4.249 1.00 8.73 C ATOM 1976 HA PHE B 8 35.189 31.225 9.109 1.00 0.00 H ATOM 1977 HB2 PHE B 8 37.538 31.651 8.868 1.00 0.00 H ATOM 1978 HB3 PHE B 8 37.824 29.984 8.316 1.00 0.00 H ATOM 1979 HD2 PHE B 8 36.674 33.327 7.382 1.00 0.00 H ATOM 1980 HE2 PHE B 8 36.284 34.038 5.041 1.00 0.00 H ATOM 1981 HZ PHE B 8 36.236 32.344 3.219 1.00 0.00 H ATOM 1982 HE1 PHE B 8 36.572 29.940 3.757 1.00 0.00 H ATOM 1983 HD1 PHE B 8 37.011 29.246 6.093 1.00 0.00 H ATOM 1984 H PHE B 8 37.099 29.794 10.717 1.00 0.00 H ATOM 1985 N GLU B 9 35.562 28.021 8.357 1.00 8.85 N ATOM 1986 CA GLU B 9 34.918 26.906 7.658 1.00 8.88 C ATOM 1987 C GLU B 9 33.463 26.741 8.105 1.00 8.87 C ATOM 1988 O GLU B 9 32.574 26.513 7.286 1.00 9.06 O ATOM 1989 CB GLU B 9 35.705 25.614 7.865 1.00 8.91 C ATOM 1990 CG GLU B 9 37.045 25.616 7.142 1.00 9.46 C ATOM 1991 CD GLU B 9 37.752 24.279 7.207 1.00 11.00 C ATOM 1992 OE1 GLU B 9 37.067 23.230 7.161 1.00 12.38 O ATOM 1993 OE2 GLU B 9 38.998 24.276 7.299 1.00 10.49 O ATOM 1994 HA GLU B 9 34.913 27.133 6.592 1.00 0.00 H ATOM 1995 HB2 GLU B 9 35.885 25.483 8.932 1.00 0.00 H ATOM 1996 HB3 GLU B 9 35.110 24.780 7.493 1.00 0.00 H ATOM 1997 HG2 GLU B 9 36.875 25.869 6.096 1.00 0.00 H ATOM 1998 HG3 GLU B 9 37.685 26.371 7.598 1.00 0.00 H ATOM 1999 H GLU B 9 36.386 27.834 8.963 1.00 0.00 H ATOM 2000 N ARG B 10 33.227 26.868 9.407 1.00 8.58 N ATOM 2001 CA ARG B 10 31.868 26.757 9.942 1.00 8.73 C ATOM 2002 C ARG B 10 30.960 27.885 9.448 1.00 8.74 C ATOM 2003 O ARG B 10 29.811 27.655 9.061 1.00 9.13 O ATOM 2004 CB ARG B 10 31.902 26.784 11.466 1.00 8.62 C ATOM 2005 CG ARG B 10 30.512 26.802 12.090 1.00 7.97 C ATOM 2006 CD ARG B 10 30.561 26.658 13.612 1.00 8.93 C ATOM 2007 NE ARG B 10 31.380 27.685 14.264 1.00 8.68 N ATOM 2008 CZ ARG B 10 30.964 28.911 14.570 1.00 9.52 C ATOM 2009 NH1 ARG B 10 29.732 29.307 14.268 1.00 9.67 N ATOM 2010 NH2 ARG B 10 31.793 29.755 15.183 1.00 9.82 N ATOM 2011 HA ARG B 10 31.461 25.810 9.587 1.00 0.00 H ATOM 2012 HB2 ARG B 10 32.430 25.898 11.818 1.00 0.00 H ATOM 2013 HB3 ARG B 10 32.439 27.677 11.786 1.00 0.00 H ATOM 2014 HG2 ARG B 10 30.027 27.746 11.842 1.00 0.00 H ATOM 2015 HG3 ARG B 10 29.931 25.977 11.677 1.00 0.00 H ATOM 2016 HD2 ARG B 10 30.975 25.679 13.854 1.00 0.00 H ATOM 2017 HD3 ARG B 10 29.545 26.727 14.000 1.00 0.00 H ATOM 2018 HE ARG B 10 32.360 27.436 14.505 1.00 0.00 H ATOM 2019 HH12 ARG B 10 29.420 30.268 14.513 1.00 0.00 H ATOM 2020 HH11 ARG B 10 29.080 28.656 13.787 1.00 0.00 H ATOM 2021 HH22 ARG B 10 31.473 30.715 15.425 1.00 0.00 H ATOM 2022 HH21 ARG B 10 32.760 29.454 15.420 1.00 0.00 H ATOM 2023 H ARG B 10 34.019 27.049 10.056 1.00 0.00 H ATOM 2024 N GLN B 11 31.465 29.111 9.508 1.00 8.70 N ATOM 2025 CA GLN B 11 30.638 30.264 9.205 1.00 8.38 C ATOM 2026 C GLN B 11 30.448 30.495 7.714 1.00 8.62 C ATOM 2027 O GLN B 11 29.438 31.065 7.302 1.00 8.34 O ATOM 2028 CB GLN B 11 31.246 31.523 9.820 1.00 8.45 C ATOM 2029 CG GLN B 11 31.190 31.562 11.335 1.00 9.58 C ATOM 2030 CD GLN B 11 31.576 32.924 11.884 1.00 11.04 C ATOM 2031 OE1 GLN B 11 32.218 33.730 11.205 1.00 14.43 O ATOM 2032 NE2 GLN B 11 31.195 33.184 13.116 1.00 13.19 N ATOM 2033 HA GLN B 11 29.658 30.053 9.634 1.00 0.00 H ATOM 2034 HB2 GLN B 11 32.290 31.583 9.514 1.00 0.00 H ATOM 2035 HB3 GLN B 11 30.705 32.388 9.435 1.00 0.00 H ATOM 2036 HG2 GLN B 11 30.175 31.328 11.656 1.00 0.00 H ATOM 2037 HG3 GLN B 11 31.877 30.815 11.732 1.00 0.00 H ATOM 2038 HE22 GLN B 11 30.655 32.476 13.654 1.00 0.00 H ATOM 2039 HE21 GLN B 11 31.434 34.097 13.552 1.00 0.00 H ATOM 2040 H GLN B 11 32.461 29.246 9.774 1.00 0.00 H ATOM 2041 N HIS B 12 31.428 30.082 6.915 1.00 8.68 N ATOM 2042 CA HIS B 12 31.504 30.554 5.532 1.00 8.65 C ATOM 2043 C HIS B 12 31.663 29.515 4.437 1.00 9.10 C ATOM 2044 O HIS B 12 31.585 29.871 3.261 1.00 9.83 O ATOM 2045 CB HIS B 12 32.624 31.588 5.392 1.00 8.52 C ATOM 2046 CG HIS B 12 32.475 32.744 6.328 1.00 8.68 C ATOM 2047 ND1 HIS B 12 31.413 33.619 6.252 1.00 8.17 N ATOM 2048 CD2 HIS B 12 33.225 33.148 7.382 1.00 9.29 C ATOM 2049 CE1 HIS B 12 31.529 34.528 7.204 1.00 9.44 C ATOM 2050 NE2 HIS B 12 32.620 34.264 7.903 1.00 9.06 N ATOM 2051 HA HIS B 12 30.512 30.973 5.365 1.00 0.00 H ATOM 2052 HB2 HIS B 12 33.576 31.098 5.594 1.00 0.00 H ATOM 2053 HB3 HIS B 12 32.622 31.966 4.370 1.00 0.00 H ATOM 2054 HD2 HIS B 12 34.137 32.676 7.747 1.00 0.00 H ATOM 2055 HE1 HIS B 12 30.842 35.355 7.383 1.00 0.00 H ATOM 2056 H HIS B 12 32.144 29.420 7.275 1.00 0.00 H ATOM 2057 N MET B 13 31.910 28.258 4.794 1.00 8.93 N ATOM 2058 CA MET B 13 32.131 27.247 3.760 1.00 8.90 C ATOM 2059 C MET B 13 30.962 26.279 3.617 1.00 8.87 C ATOM 2060 O MET B 13 30.522 25.654 4.589 1.00 9.13 O ATOM 2061 CB MET B 13 33.420 26.464 4.010 1.00 8.78 C ATOM 2062 CG MET B 13 34.722 27.257 3.831 1.00 9.30 C ATOM 2063 SD MET B 13 34.949 27.980 2.184 1.00 9.62 S ATOM 2064 CE MET B 13 34.820 26.531 1.150 1.00 10.50 C ATOM 2065 HA MET B 13 32.221 27.797 2.823 1.00 0.00 H ATOM 2066 HB2 MET B 13 33.393 26.090 5.033 1.00 0.00 H ATOM 2067 HB3 MET B 13 33.441 25.623 3.318 1.00 0.00 H ATOM 2068 HG2 MET B 13 35.558 26.585 4.025 1.00 0.00 H ATOM 2069 HG3 MET B 13 34.730 28.066 4.561 1.00 0.00 H ATOM 2070 HE1 MET B 13 35.600 25.820 1.424 1.00 0.00 H ATOM 2071 HE2 MET B 13 33.842 26.071 1.291 1.00 0.00 H ATOM 2072 HE3 MET B 13 34.940 26.820 0.106 1.00 0.00 H ATOM 2073 H MET B 13 31.946 27.996 5.800 1.00 0.00 H ATOM 2074 N ASP B 14 30.464 26.156 2.391 1.00 8.71 N ATOM 2075 CA ASP B 14 29.541 25.079 2.069 1.00 8.99 C ATOM 2076 C ASP B 14 29.863 24.525 0.680 1.00 9.52 C ATOM 2077 O ASP B 14 29.076 24.658 -0.262 1.00 9.87 O ATOM 2078 CB ASP B 14 28.084 25.538 2.170 1.00 9.23 C ATOM 2079 CG ASP B 14 27.105 24.373 2.107 1.00 9.64 C ATOM 2080 OD1 ASP B 14 27.552 23.211 2.254 1.00 10.66 O ATOM 2081 OD2 ASP B 14 25.897 24.627 1.909 1.00 10.82 O ATOM 2082 HA ASP B 14 29.667 24.280 2.800 1.00 0.00 H ATOM 2083 HB2 ASP B 14 27.946 26.061 3.116 1.00 0.00 H ATOM 2084 HB3 ASP B 14 27.873 26.219 1.345 1.00 0.00 H ATOM 2085 H ASP B 14 30.737 26.837 1.654 1.00 0.00 H ATOM 2086 N SER B 15 31.039 23.909 0.586 1.00 10.11 N ATOM 2087 CA SER B 15 31.581 23.396 -0.672 1.00 11.02 C ATOM 2088 C SER B 15 30.824 22.171 -1.145 1.00 11.28 C ATOM 2089 O SER B 15 30.812 21.865 -2.338 1.00 11.48 O ATOM 2090 CB SER B 15 33.051 22.980 -0.493 1.00 11.06 C ATOM 2091 OG SER B 15 33.804 23.983 0.160 1.00 15.03 O ATOM 2092 HA SER B 15 31.487 24.198 -1.404 1.00 0.00 H ATOM 2093 HB2 SER B 15 33.487 22.793 -1.474 1.00 0.00 H ATOM 2094 HB3 SER B 15 33.090 22.066 0.100 1.00 0.00 H ATOM 2095 HG SER B 15 33.779 24.815 -0.376 1.00 0.00 H ATOM 2096 H SER B 15 31.602 23.786 1.452 1.00 0.00 H ATOM 2097 N GLY B 16 30.210 21.464 -0.199 1.00 11.45 N ATOM 2098 CA GLY B 16 29.679 20.133 -0.469 1.00 11.77 C ATOM 2099 C GLY B 16 28.206 20.111 -0.810 1.00 11.89 C ATOM 2100 O GLY B 16 27.622 19.037 -0.970 1.00 12.00 O ATOM 2101 HA3 GLY B 16 29.835 19.516 0.416 1.00 0.00 H ATOM 2102 HA2 GLY B 16 30.231 19.708 -1.308 1.00 0.00 H ATOM 2103 H GLY B 16 30.107 21.870 0.753 1.00 0.00 H ATOM 2104 N ASN B 17 27.600 21.289 -0.921 1.00 12.08 N ATOM 2105 CA ASN B 17 26.154 21.374 -1.106 1.00 12.90 C ATOM 2106 C ASN B 17 25.715 22.439 -2.081 1.00 13.52 C ATOM 2107 O ASN B 17 26.427 23.418 -2.319 1.00 14.10 O ATOM 2108 CB ASN B 17 25.445 21.580 0.238 1.00 12.64 C ATOM 2109 CG ASN B 17 25.526 20.359 1.123 1.00 13.71 C ATOM 2110 OD1 ASN B 17 24.889 19.338 0.853 1.00 13.67 O ATOM 2111 ND2 ASN B 17 26.334 20.446 2.182 1.00 15.08 N ATOM 2112 HA ASN B 17 25.864 20.418 -1.543 1.00 0.00 H ATOM 2113 HB2 ASN B 17 25.910 22.419 0.755 1.00 0.00 H ATOM 2114 HB3 ASN B 17 24.396 21.808 0.050 1.00 0.00 H ATOM 2115 HD22 ASN B 17 26.852 21.328 2.370 1.00 0.00 H ATOM 2116 HD21 ASN B 17 26.446 19.632 2.819 1.00 0.00 H ATOM 2117 H ASN B 17 28.163 22.162 -0.875 1.00 0.00 H ATOM 2118 N SER B 18 24.532 22.212 -2.645 1.00 13.99 N ATOM 2119 CA SER B 18 23.864 23.179 -3.494 1.00 14.30 C ATOM 2120 C SER B 18 22.808 23.919 -2.676 1.00 14.37 C ATOM 2121 O SER B 18 21.965 23.290 -2.038 1.00 13.86 O ATOM 2122 CB SER B 18 23.185 22.471 -4.659 1.00 14.30 C ATOM 2123 OG SER B 18 22.394 23.391 -5.396 1.00 14.62 O ATOM 2124 HA SER B 18 24.600 23.883 -3.882 1.00 0.00 H ATOM 2125 HB2 SER B 18 22.548 21.674 -4.275 1.00 0.00 H ATOM 2126 HB3 SER B 18 23.945 22.043 -5.313 1.00 0.00 H ATOM 2127 HG SER B 18 21.958 22.920 -6.150 1.00 0.00 H ATOM 2128 H SER B 18 24.065 21.300 -2.469 1.00 0.00 H ATOM 2129 N PRO B 19 22.850 25.261 -2.695 1.00 14.51 N ATOM 2130 CA PRO B 19 21.810 26.021 -1.999 1.00 14.53 C ATOM 2131 C PRO B 19 20.422 25.894 -2.644 1.00 14.82 C ATOM 2132 O PRO B 19 19.421 26.213 -2.003 1.00 15.04 O ATOM 2133 CB PRO B 19 22.326 27.465 -2.052 1.00 14.32 C ATOM 2134 CG PRO B 19 23.252 27.506 -3.197 1.00 15.09 C ATOM 2135 CD PRO B 19 23.848 26.134 -3.340 1.00 14.66 C ATOM 2136 HA PRO B 19 21.654 25.651 -0.986 1.00 0.00 H ATOM 2137 HD3 PRO B 19 23.976 25.871 -4.390 1.00 0.00 H ATOM 2138 HD2 PRO B 19 24.810 26.071 -2.831 1.00 0.00 H ATOM 2139 HG3 PRO B 19 24.039 28.238 -3.014 1.00 0.00 H ATOM 2140 HG2 PRO B 19 22.712 27.775 -4.105 1.00 0.00 H ATOM 2141 HB2 PRO B 19 21.500 28.160 -2.203 1.00 0.00 H ATOM 2142 HB3 PRO B 19 22.848 27.718 -1.129 1.00 0.00 H ATOM 2143 N SER B 20 20.366 25.409 -3.887 1.00 14.96 N ATOM 2144 CA SER B 20 19.090 25.191 -4.569 1.00 16.13 C ATOM 2145 C SER B 20 18.541 23.768 -4.384 1.00 16.17 C ATOM 2146 O SER B 20 17.510 23.414 -4.965 1.00 16.57 O ATOM 2147 CB SER B 20 19.201 25.538 -6.054 1.00 16.19 C ATOM 2148 OG SER B 20 20.099 24.664 -6.707 1.00 18.20 O ATOM 2149 HA SER B 20 18.372 25.863 -4.099 1.00 0.00 H ATOM 2150 HB2 SER B 20 19.560 26.562 -6.156 1.00 0.00 H ATOM 2151 HB3 SER B 20 18.218 25.451 -6.516 1.00 0.00 H ATOM 2152 HG SER B 20 20.994 24.743 -6.292 1.00 0.00 H ATOM 2153 H SER B 20 21.251 25.181 -4.383 1.00 0.00 H ATOM 2154 N SER B 21 19.218 22.962 -3.567 1.00 16.46 N ATOM 2155 CA SER B 21 18.761 21.600 -3.291 1.00 16.75 C ATOM 2156 C SER B 21 17.504 21.550 -2.429 1.00 16.81 C ATOM 2157 O SER B 21 17.365 22.308 -1.465 1.00 17.25 O ATOM 2158 CB SER B 21 19.849 20.780 -2.604 1.00 16.52 C ATOM 2159 OG SER B 21 19.382 19.457 -2.388 1.00 16.95 O ATOM 2160 HA SER B 21 18.524 21.174 -4.266 1.00 0.00 H ATOM 2161 HB2 SER B 21 20.099 21.238 -1.647 1.00 0.00 H ATOM 2162 HB3 SER B 21 20.737 20.753 -3.236 1.00 0.00 H ATOM 2163 HG SER B 21 20.090 18.927 -1.942 1.00 0.00 H ATOM 2164 H SER B 21 20.089 23.308 -3.116 1.00 0.00 H ATOM 2165 N SER B 22 16.600 20.643 -2.786 1.00 16.81 N ATOM 2166 CA SER B 22 15.451 20.314 -1.954 1.00 16.34 C ATOM 2167 C SER B 22 15.746 19.097 -1.070 1.00 15.98 C ATOM 2168 O SER B 22 15.040 18.846 -0.092 1.00 16.39 O ATOM 2169 CB SER B 22 14.217 20.050 -2.823 1.00 16.74 C ATOM 2170 OG SER B 22 14.525 19.179 -3.901 1.00 17.24 O ATOM 2171 HA SER B 22 15.248 21.167 -1.307 1.00 0.00 H ATOM 2172 HB2 SER B 22 13.854 20.997 -3.223 1.00 0.00 H ATOM 2173 HB3 SER B 22 13.440 19.595 -2.209 1.00 0.00 H ATOM 2174 HG SER B 22 15.227 19.590 -4.465 1.00 0.00 H ATOM 2175 H SER B 22 16.718 20.150 -3.694 1.00 0.00 H ATOM 2176 N SER B 23 16.795 18.350 -1.412 1.00 14.76 N ATOM 2177 CA SER B 23 17.087 17.092 -0.726 1.00 14.01 C ATOM 2178 C SER B 23 18.098 17.220 0.419 1.00 13.19 C ATOM 2179 O SER B 23 18.413 16.234 1.090 1.00 13.23 O ATOM 2180 CB SER B 23 17.523 16.016 -1.731 1.00 14.31 C ATOM 2181 OG SER B 23 18.658 16.430 -2.465 1.00 15.16 O ATOM 2182 HA SER B 23 16.153 16.787 -0.253 1.00 0.00 H ATOM 2183 HB2 SER B 23 16.703 15.823 -2.423 1.00 0.00 H ATOM 2184 HB3 SER B 23 17.764 15.101 -1.190 1.00 0.00 H ATOM 2185 HG SER B 23 18.915 15.718 -3.103 1.00 0.00 H ATOM 2186 H SER B 23 17.418 18.668 -2.182 1.00 0.00 H ATOM 2187 N ASN B 24 18.588 18.441 0.641 1.00 11.81 N ATOM 2188 CA ASN B 24 19.532 18.729 1.715 1.00 11.37 C ATOM 2189 C ASN B 24 18.803 19.161 2.987 1.00 10.57 C ATOM 2190 O ASN B 24 19.433 19.419 4.017 1.00 10.58 O ATOM 2191 CB ASN B 24 20.503 19.832 1.272 1.00 11.26 C ATOM 2192 CG ASN B 24 21.727 19.956 2.176 1.00 12.77 C ATOM 2193 OD1 ASN B 24 22.237 18.969 2.719 1.00 13.83 O ATOM 2194 ND2 ASN B 24 22.215 21.179 2.324 1.00 14.00 N ATOM 2195 HA ASN B 24 20.089 17.818 1.933 1.00 0.00 H ATOM 2196 HB2 ASN B 24 20.841 19.610 0.260 1.00 0.00 H ATOM 2197 HB3 ASN B 24 19.972 20.784 1.276 1.00 0.00 H ATOM 2198 HD22 ASN B 24 21.756 21.983 1.850 1.00 0.00 H ATOM 2199 HD21 ASN B 24 23.057 21.335 2.914 1.00 0.00 H ATOM 2200 H ASN B 24 18.284 19.220 0.022 1.00 0.00 H ATOM 2201 N TYR B 25 17.475 19.229 2.912 1.00 9.98 N ATOM 2202 CA TYR B 25 16.666 19.699 4.042 1.00 9.03 C ATOM 2203 C TYR B 25 16.977 18.978 5.356 1.00 8.95 C ATOM 2204 O TYR B 25 17.236 19.619 6.374 1.00 9.16 O ATOM 2205 CB TYR B 25 15.176 19.586 3.728 1.00 8.72 C ATOM 2206 CG TYR B 25 14.294 19.921 4.909 1.00 8.22 C ATOM 2207 CD1 TYR B 25 13.929 21.241 5.183 1.00 8.62 C ATOM 2208 CD2 TYR B 25 13.829 18.918 5.757 1.00 8.06 C ATOM 2209 CE1 TYR B 25 13.111 21.551 6.267 1.00 8.47 C ATOM 2210 CE2 TYR B 25 13.024 19.213 6.838 1.00 8.52 C ATOM 2211 CZ TYR B 25 12.666 20.526 7.091 1.00 7.78 C ATOM 2212 OH TYR B 25 11.860 20.804 8.171 1.00 8.89 O ATOM 2213 HA TYR B 25 16.934 20.746 4.184 1.00 0.00 H ATOM 2214 HB3 TYR B 25 14.964 18.564 3.415 1.00 0.00 H ATOM 2215 HB2 TYR B 25 14.940 20.270 2.913 1.00 0.00 H ATOM 2216 HD2 TYR B 25 14.106 17.882 5.563 1.00 0.00 H ATOM 2217 HE2 TYR B 25 12.671 18.415 7.491 1.00 0.00 H ATOM 2218 HE1 TYR B 25 12.824 22.584 6.466 1.00 0.00 H ATOM 2219 HD1 TYR B 25 14.290 22.042 4.538 1.00 0.00 H ATOM 2220 HH TYR B 25 11.696 21.779 8.216 1.00 0.00 H ATOM 2221 H TYR B 25 17.001 18.942 2.032 1.00 0.00 H ATOM 2222 N CYS B 26 16.937 17.651 5.340 1.00 8.39 N ATOM 2223 CA CYS B 26 17.172 16.901 6.574 1.00 8.40 C ATOM 2224 C CYS B 26 18.567 17.138 7.135 1.00 8.61 C ATOM 2225 O CYS B 26 18.732 17.316 8.339 1.00 8.70 O ATOM 2226 CB CYS B 26 16.923 15.411 6.365 1.00 8.14 C ATOM 2227 SG CYS B 26 15.183 14.997 6.184 1.00 8.20 S ATOM 2228 HA CYS B 26 16.459 17.272 7.310 1.00 0.00 H ATOM 2229 HB2 CYS B 26 17.320 14.870 7.224 1.00 0.00 H ATOM 2230 HB3 CYS B 26 17.449 15.095 5.464 1.00 0.00 H ATOM 2231 H CYS B 26 16.739 17.146 4.453 1.00 0.00 H ATOM 2232 N ASN B 27 19.569 17.171 6.262 1.00 8.65 N ATOM 2233 CA ASN B 27 20.931 17.458 6.697 1.00 9.66 C ATOM 2234 C ASN B 27 21.021 18.751 7.478 1.00 10.16 C ATOM 2235 O ASN B 27 21.665 18.807 8.525 1.00 11.08 O ATOM 2236 CB ASN B 27 21.875 17.517 5.511 1.00 9.66 C ATOM 2237 CG ASN B 27 22.076 16.168 4.871 1.00 9.36 C ATOM 2238 OD1 ASN B 27 21.923 15.135 5.522 1.00 10.73 O ATOM 2239 ND2 ASN B 27 22.428 16.166 3.590 1.00 10.01 N ATOM 2240 HA ASN B 27 21.226 16.643 7.357 1.00 0.00 H ATOM 2241 HB2 ASN B 27 21.462 18.200 4.768 1.00 0.00 H ATOM 2242 HB3 ASN B 27 22.841 17.892 5.850 1.00 0.00 H ATOM 2243 HD22 ASN B 27 22.545 17.066 3.082 1.00 0.00 H ATOM 2244 HD21 ASN B 27 22.586 15.265 3.096 1.00 0.00 H ATOM 2245 H ASN B 27 19.379 16.990 5.256 1.00 0.00 H ATOM 2246 N LEU B 28 20.362 19.784 6.964 1.00 10.15 N ATOM 2247 CA LEU B 28 20.415 21.092 7.597 1.00 10.60 C ATOM 2248 C LEU B 28 19.528 21.170 8.825 1.00 10.23 C ATOM 2249 O LEU B 28 19.942 21.720 9.839 1.00 10.18 O ATOM 2250 CB LEU B 28 20.076 22.196 6.600 1.00 11.00 C ATOM 2251 CG LEU B 28 21.074 22.255 5.433 1.00 12.34 C ATOM 2252 CD1 LEU B 28 20.861 23.491 4.598 1.00 13.93 C ATOM 2253 CD2 LEU B 28 22.528 22.187 5.930 1.00 14.60 C ATOM 2254 HA LEU B 28 21.440 21.243 7.936 1.00 0.00 H ATOM 2255 HB2 LEU B 28 19.079 22.013 6.200 1.00 0.00 H ATOM 2256 HB3 LEU B 28 20.087 23.154 7.120 1.00 0.00 H ATOM 2257 HG LEU B 28 20.891 21.381 4.807 1.00 0.00 H ATOM 2258 HD21 LEU B 28 22.723 23.029 6.594 1.00 0.00 H ATOM 2259 HD22 LEU B 28 22.683 21.253 6.470 1.00 0.00 H ATOM 2260 HD23 LEU B 28 23.205 22.231 5.077 1.00 0.00 H ATOM 2261 HD11 LEU B 28 19.849 23.484 4.192 1.00 0.00 H ATOM 2262 HD12 LEU B 28 20.998 24.376 5.220 1.00 0.00 H ATOM 2263 HD13 LEU B 28 21.582 23.504 3.781 1.00 0.00 H ATOM 2264 H LEU B 28 19.801 19.655 6.098 1.00 0.00 H ATOM 2265 N MET B 29 18.322 20.610 8.740 1.00 10.06 N ATOM 2266 CA MET B 29 17.381 20.720 9.850 1.00 10.19 C ATOM 2267 C MET B 29 17.774 19.861 11.050 1.00 9.68 C ATOM 2268 O MET B 29 17.641 20.297 12.201 1.00 9.47 O ATOM 2269 CB MET B 29 15.938 20.448 9.399 1.00 10.94 C ATOM 2270 CG MET B 29 14.881 21.042 10.325 1.00 13.02 C ATOM 2271 SD MET B 29 15.107 22.810 10.616 1.00 15.68 S ATOM 2272 CE MET B 29 13.431 23.409 10.651 1.00 16.49 C ATOM 2273 HA MET B 29 17.428 21.754 10.191 1.00 0.00 H ATOM 2274 HB2 MET B 29 15.802 20.874 8.405 1.00 0.00 H ATOM 2275 HB3 MET B 29 15.789 19.369 9.355 1.00 0.00 H ATOM 2276 HG2 MET B 29 14.928 20.524 11.283 1.00 0.00 H ATOM 2277 HG3 MET B 29 13.900 20.887 9.877 1.00 0.00 H ATOM 2278 HE1 MET B 29 12.950 23.194 9.697 1.00 0.00 H ATOM 2279 HE2 MET B 29 12.886 22.913 11.454 1.00 0.00 H ATOM 2280 HE3 MET B 29 13.435 24.485 10.823 1.00 0.00 H ATOM 2281 H MET B 29 18.050 20.093 7.880 1.00 0.00 H ATOM 2282 N MET B 30 18.271 18.651 10.790 1.00 9.04 N ATOM 2283 CA MET B 30 18.755 17.792 11.875 1.00 9.31 C ATOM 2284 C MET B 30 19.914 18.459 12.610 1.00 9.48 C ATOM 2285 O MET B 30 20.043 18.343 13.834 1.00 10.00 O ATOM 2286 CB MET B 30 19.172 16.416 11.347 1.00 9.10 C ATOM 2287 CG MET B 30 18.015 15.592 10.783 1.00 9.25 C ATOM 2288 SD MET B 30 16.820 15.139 12.048 1.00 9.08 S ATOM 2289 CE MET B 30 17.707 13.806 12.875 1.00 8.89 C ATOM 2290 HA MET B 30 17.936 17.646 12.579 1.00 0.00 H ATOM 2291 HB2 MET B 30 19.908 16.560 10.556 1.00 0.00 H ATOM 2292 HB3 MET B 30 19.625 15.857 12.166 1.00 0.00 H ATOM 2293 HG2 MET B 30 18.417 14.682 10.338 1.00 0.00 H ATOM 2294 HG3 MET B 30 17.509 16.177 10.016 1.00 0.00 H ATOM 2295 HE1 MET B 30 17.913 13.010 12.160 1.00 0.00 H ATOM 2296 HE2 MET B 30 18.646 14.189 13.274 1.00 0.00 H ATOM 2297 HE3 MET B 30 17.097 13.416 13.689 1.00 0.00 H ATOM 2298 H MET B 30 18.316 18.313 9.807 1.00 0.00 H ATOM 2299 N CYS B 31 20.745 19.169 11.850 1.00 9.43 N ATOM 2300 CA CYS B 31 21.826 19.949 12.418 1.00 9.53 C ATOM 2301 C CYS B 31 21.281 21.137 13.221 1.00 9.41 C ATOM 2302 O CYS B 31 21.601 21.297 14.409 1.00 9.68 O ATOM 2303 CB CYS B 31 22.754 20.421 11.299 1.00 9.28 C ATOM 2304 SG CYS B 31 23.963 21.633 11.835 1.00 9.60 S ATOM 2305 HA CYS B 31 22.393 19.324 13.107 1.00 0.00 H ATOM 2306 HB2 CYS B 31 22.146 20.865 10.511 1.00 0.00 H ATOM 2307 HB3 CYS B 31 23.285 19.556 10.903 1.00 0.00 H ATOM 2308 H CYS B 31 20.614 19.164 10.818 1.00 0.00 H ATOM 2309 N CYS B 32 20.455 21.957 12.570 1.00 9.14 N ATOM 2310 CA CYS B 32 19.837 23.123 13.209 1.00 8.90 C ATOM 2311 C CYS B 32 19.145 22.791 14.530 1.00 8.73 C ATOM 2312 O CYS B 32 19.320 23.504 15.513 1.00 9.04 O ATOM 2313 CB CYS B 32 18.854 23.792 12.246 1.00 8.88 C ATOM 2314 SG CYS B 32 17.752 24.987 13.000 1.00 8.87 S ATOM 2315 HA CYS B 32 20.646 23.813 13.450 1.00 0.00 H ATOM 2316 HB2 CYS B 32 18.246 23.012 11.787 1.00 0.00 H ATOM 2317 HB3 CYS B 32 19.430 24.302 11.474 1.00 0.00 H ATOM 2318 H CYS B 32 20.241 21.762 11.571 1.00 0.00 H ATOM 2319 N ARG B 33 18.374 21.707 14.538 1.00 9.00 N ATOM 2320 CA ARG B 33 17.555 21.327 15.694 1.00 9.67 C ATOM 2321 C ARG B 33 18.272 20.402 16.681 1.00 10.59 C ATOM 2322 O ARG B 33 17.640 19.768 17.529 1.00 11.05 O ATOM 2323 CB ARG B 33 16.218 20.734 15.230 1.00 9.20 C ATOM 2324 CG ARG B 33 15.381 21.697 14.391 1.00 8.60 C ATOM 2325 CD ARG B 33 14.966 22.940 15.170 1.00 7.67 C ATOM 2326 NE ARG B 33 14.048 23.777 14.388 1.00 8.21 N ATOM 2327 CZ ARG B 33 12.746 23.530 14.242 1.00 8.52 C ATOM 2328 NH1 ARG B 33 12.188 22.479 14.836 1.00 8.06 N ATOM 2329 NH2 ARG B 33 11.994 24.339 13.507 1.00 9.69 N ATOM 2330 HA ARG B 33 17.361 22.243 16.252 1.00 0.00 H ATOM 2331 HB2 ARG B 33 16.423 19.845 14.633 1.00 0.00 H ATOM 2332 HB3 ARG B 33 15.641 20.453 16.111 1.00 0.00 H ATOM 2333 HG2 ARG B 33 15.966 22.006 13.525 1.00 0.00 H ATOM 2334 HG3 ARG B 33 14.483 21.179 14.055 1.00 0.00 H ATOM 2335 HD2 ARG B 33 15.856 23.520 15.414 1.00 0.00 H ATOM 2336 HD3 ARG B 33 14.470 22.633 16.091 1.00 0.00 H ATOM 2337 HE ARG B 33 14.439 24.618 13.917 1.00 0.00 H ATOM 2338 HH12 ARG B 33 11.172 22.293 14.717 1.00 0.00 H ATOM 2339 HH11 ARG B 33 12.768 21.843 15.419 1.00 0.00 H ATOM 2340 HH22 ARG B 33 10.979 24.145 13.394 1.00 0.00 H ATOM 2341 HH21 ARG B 33 12.420 25.167 13.044 1.00 0.00 H ATOM 2342 H ARG B 33 18.351 21.105 13.690 1.00 0.00 H ATOM 2343 N LYS B 34 19.598 20.346 16.553 1.00 11.61 N ATOM 2344 CA LYS B 34 20.488 19.771 17.576 1.00 12.51 C ATOM 2345 C LYS B 34 20.305 18.263 17.757 1.00 13.12 C ATOM 2346 O LYS B 34 20.377 17.734 18.882 1.00 14.25 O ATOM 2347 CB LYS B 34 20.346 20.531 18.903 1.00 12.43 C ATOM 2348 CG LYS B 34 20.585 22.030 18.768 1.00 13.32 C ATOM 2349 CD LYS B 34 20.471 22.736 20.097 1.00 14.50 C ATOM 2350 CE LYS B 34 20.760 24.220 19.944 1.00 16.15 C ATOM 2351 NZ LYS B 34 20.792 24.909 21.259 1.00 17.12 N ATOM 2352 HA LYS B 34 21.509 19.897 17.216 1.00 0.00 H ATOM 2353 HB2 LYS B 34 19.337 20.374 19.286 1.00 0.00 H ATOM 2354 HB3 LYS B 34 21.069 20.128 19.612 1.00 0.00 H ATOM 2355 HG2 LYS B 34 21.585 22.194 18.365 1.00 0.00 H ATOM 2356 HG3 LYS B 34 19.846 22.445 18.083 1.00 0.00 H ATOM 2357 HD2 LYS B 34 19.461 22.606 20.486 1.00 0.00 H ATOM 2358 HD3 LYS B 34 21.187 22.302 20.795 1.00 0.00 H ATOM 2359 HE2 LYS B 34 19.982 24.670 19.327 1.00 0.00 H ATOM 2360 HE3 LYS B 34 21.727 24.344 19.456 1.00 0.00 H ATOM 2361 HZ1 LYS B 34 19.870 24.800 21.729 1.00 0.00 H ATOM 2362 HZ2 LYS B 34 21.536 24.488 21.851 1.00 0.00 H ATOM 2363 HZ3 LYS B 34 20.992 25.919 21.115 1.00 0.00 H ATOM 2364 H LYS B 34 20.026 20.728 15.686 1.00 0.00 H ATOM 2365 N MET B 35 20.096 17.574 16.640 1.00 13.99 N ATOM 2366 CA MET B 35 19.957 16.119 16.638 1.00 14.75 C ATOM 2367 C MET B 35 21.148 15.425 15.980 1.00 15.49 C ATOM 2368 O MET B 35 21.105 14.224 15.681 1.00 15.56 O ATOM 2369 CB MET B 35 18.622 15.705 16.017 1.00 14.57 C ATOM 2370 CG MET B 35 17.449 15.922 16.963 1.00 14.82 C ATOM 2371 SD MET B 35 15.863 15.639 16.180 1.00 14.37 S ATOM 2372 CE MET B 35 15.680 17.156 15.230 1.00 14.90 C ATOM 2373 HA MET B 35 19.955 15.783 17.675 1.00 0.00 H ATOM 2374 HB2 MET B 35 18.458 16.294 15.115 1.00 0.00 H ATOM 2375 HB3 MET B 35 18.670 14.648 15.756 1.00 0.00 H ATOM 2376 HG2 MET B 35 17.480 16.949 17.326 1.00 0.00 H ATOM 2377 HG3 MET B 35 17.549 15.237 17.805 1.00 0.00 H ATOM 2378 HE1 MET B 35 15.687 18.010 15.907 1.00 0.00 H ATOM 2379 HE2 MET B 35 16.506 17.243 14.524 1.00 0.00 H ATOM 2380 HE3 MET B 35 14.736 17.130 14.685 1.00 0.00 H ATOM 2381 H MET B 35 20.029 18.087 15.738 1.00 0.00 H ATOM 2382 N THR B 36 22.222 16.188 15.777 1.00 15.93 N ATOM 2383 CA THR B 36 23.467 15.636 15.240 1.00 16.77 C ATOM 2384 C THR B 36 24.653 15.842 16.186 1.00 17.39 C ATOM 2385 O THR B 36 25.803 15.664 15.788 1.00 17.52 O ATOM 2386 CB THR B 36 23.799 16.198 13.834 1.00 16.66 C ATOM 2387 OG1 THR B 36 23.978 17.618 13.902 1.00 16.31 O ATOM 2388 CG2 THR B 36 22.685 15.874 12.847 1.00 17.22 C ATOM 2389 HA THR B 36 23.297 14.564 15.145 1.00 0.00 H ATOM 2390 HB THR B 36 24.721 15.731 13.489 1.00 0.00 H ATOM 2391 HG1 THR B 36 23.145 18.039 14.233 1.00 0.00 H ATOM 2392 HG23 THR B 36 22.549 14.794 12.796 1.00 0.00 H ATOM 2393 HG21 THR B 36 21.759 16.342 13.180 1.00 0.00 H ATOM 2394 HG22 THR B 36 22.952 16.255 11.861 1.00 0.00 H ATOM 2395 H THR B 36 22.174 17.201 16.006 1.00 0.00 H ATOM 2396 N GLN B 37 24.364 16.200 17.436 1.00 18.04 N ATOM 2397 CA GLN B 37 25.395 16.384 18.458 1.00 19.04 C ATOM 2398 C GLN B 37 25.610 15.093 19.251 1.00 18.79 C ATOM 2399 O GLN B 37 24.646 14.492 19.733 1.00 19.52 O ATOM 2400 CB GLN B 37 25.015 17.522 19.410 1.00 19.14 C ATOM 2401 CG GLN B 37 24.871 18.897 18.751 1.00 20.06 C ATOM 2402 CD GLN B 37 24.572 20.000 19.757 1.00 20.06 C ATOM 2403 OE1 GLN B 37 25.237 21.039 19.774 1.00 21.25 O ATOM 2404 NE2 GLN B 37 23.575 19.772 20.611 1.00 21.12 N ATOM 2405 HA GLN B 37 26.325 16.643 17.952 1.00 0.00 H ATOM 2406 HB2 GLN B 37 24.063 17.269 19.877 1.00 0.00 H ATOM 2407 HB3 GLN B 37 25.786 17.593 20.177 1.00 0.00 H ATOM 2408 HG2 GLN B 37 25.801 19.137 18.236 1.00 0.00 H ATOM 2409 HG3 GLN B 37 24.057 18.854 18.027 1.00 0.00 H ATOM 2410 HE22 GLN B 37 23.041 18.881 20.561 1.00 0.00 H ATOM 2411 HE21 GLN B 37 23.331 20.485 21.328 1.00 0.00 H ATOM 2412 H GLN B 37 23.369 16.354 17.695 1.00 0.00 H ATOM 2413 N GLY B 38 26.867 14.666 19.372 1.00 18.44 N ATOM 2414 CA GLY B 38 27.214 13.443 20.106 1.00 17.67 C ATOM 2415 C GLY B 38 27.036 12.176 19.288 1.00 17.08 C ATOM 2416 O GLY B 38 27.878 11.272 19.334 1.00 17.22 O ATOM 2417 HA3 GLY B 38 26.577 13.377 20.988 1.00 0.00 H ATOM 2418 HA2 GLY B 38 28.257 13.510 20.416 1.00 0.00 H ATOM 2419 H GLY B 38 27.629 15.219 18.931 1.00 0.00 H ATOM 2420 N LYS B 39 25.919 12.114 18.560 1.00 16.40 N ATOM 2421 CA LYS B 39 25.626 11.050 17.598 1.00 15.60 C ATOM 2422 C LYS B 39 24.584 11.545 16.588 1.00 14.48 C ATOM 2423 O LYS B 39 23.896 12.548 16.828 1.00 15.23 O ATOM 2424 CB LYS B 39 25.138 9.771 18.298 1.00 15.77 C ATOM 2425 CG LYS B 39 23.764 9.876 18.950 1.00 16.81 C ATOM 2426 CD LYS B 39 23.148 8.501 19.169 1.00 18.08 C ATOM 2427 CE LYS B 39 21.709 8.623 19.651 1.00 19.08 C ATOM 2428 NZ LYS B 39 21.111 7.290 19.940 1.00 19.78 N ATOM 2429 HA LYS B 39 26.548 10.798 17.073 1.00 0.00 H ATOM 2430 HB2 LYS B 39 25.100 8.973 17.556 1.00 0.00 H ATOM 2431 HB3 LYS B 39 25.861 9.512 19.072 1.00 0.00 H ATOM 2432 HG2 LYS B 39 23.865 10.377 19.913 1.00 0.00 H ATOM 2433 HG3 LYS B 39 23.108 10.460 18.304 1.00 0.00 H ATOM 2434 HD2 LYS B 39 23.165 7.948 18.230 1.00 0.00 H ATOM 2435 HD3 LYS B 39 23.731 7.963 19.916 1.00 0.00 H ATOM 2436 HE2 LYS B 39 21.118 9.116 18.879 1.00 0.00 H ATOM 2437 HE3 LYS B 39 21.690 9.224 20.560 1.00 0.00 H ATOM 2438 HZ1 LYS B 39 21.120 6.713 19.075 1.00 0.00 H ATOM 2439 HZ2 LYS B 39 21.666 6.816 20.681 1.00 0.00 H ATOM 2440 HZ3 LYS B 39 20.131 7.414 20.266 1.00 0.00 H ATOM 2441 H LYS B 39 25.213 12.868 18.684 1.00 0.00 H ATOM 2442 N CYS B 40 24.472 10.850 15.459 1.00 13.16 N ATOM 2443 CA CYS B 40 23.432 11.155 14.482 1.00 11.76 C ATOM 2444 C CYS B 40 22.159 10.451 14.908 1.00 10.91 C ATOM 2445 O CYS B 40 22.126 9.220 14.994 1.00 10.86 O ATOM 2446 CB CYS B 40 23.821 10.666 13.087 1.00 12.01 C ATOM 2447 SG CYS B 40 25.478 11.086 12.555 1.00 11.45 S ATOM 2448 HA CYS B 40 23.293 12.235 14.441 1.00 0.00 H ATOM 2449 HB2 CYS B 40 23.120 11.097 12.372 1.00 0.00 H ATOM 2450 HB3 CYS B 40 23.729 9.580 13.074 1.00 0.00 H ATOM 2451 H CYS B 40 25.138 10.075 15.269 1.00 0.00 H ATOM 2452 N LYS B 41 21.111 11.219 15.194 1.00 9.79 N ATOM 2453 CA LYS B 41 19.817 10.597 15.442 1.00 8.79 C ATOM 2454 C LYS B 41 19.425 9.860 14.157 1.00 8.65 C ATOM 2455 O LYS B 41 19.377 10.473 13.094 1.00 8.05 O ATOM 2456 CB LYS B 41 18.769 11.634 15.838 1.00 8.78 C ATOM 2457 CG LYS B 41 17.439 11.020 16.244 1.00 8.83 C ATOM 2458 CD LYS B 41 16.460 12.078 16.690 1.00 8.39 C ATOM 2459 CE LYS B 41 15.134 11.457 17.091 1.00 9.03 C ATOM 2460 NZ LYS B 41 14.121 12.505 17.403 1.00 7.89 N ATOM 2461 HA LYS B 41 19.877 9.900 16.278 1.00 0.00 H ATOM 2462 HB2 LYS B 41 19.154 12.212 16.678 1.00 0.00 H ATOM 2463 HB3 LYS B 41 18.600 12.297 14.989 1.00 0.00 H ATOM 2464 HG2 LYS B 41 17.020 10.485 15.392 1.00 0.00 H ATOM 2465 HG3 LYS B 41 17.606 10.322 17.064 1.00 0.00 H ATOM 2466 HD2 LYS B 41 16.877 12.612 17.544 1.00 0.00 H ATOM 2467 HD3 LYS B 41 16.293 12.778 15.871 1.00 0.00 H ATOM 2468 HE2 LYS B 41 15.285 10.834 17.973 1.00 0.00 H ATOM 2469 HE3 LYS B 41 14.767 10.840 16.270 1.00 0.00 H ATOM 2470 HZ1 LYS B 41 14.464 13.094 18.189 1.00 0.00 H ATOM 2471 HZ2 LYS B 41 13.969 13.100 16.563 1.00 0.00 H ATOM 2472 HZ3 LYS B 41 13.226 12.050 17.674 1.00 0.00 H ATOM 2473 H LYS B 41 21.214 12.253 15.240 1.00 0.00 H ATOM 2474 N PRO B 42 19.191 8.535 14.239 1.00 8.36 N ATOM 2475 CA PRO B 42 18.999 7.762 13.001 1.00 8.23 C ATOM 2476 C PRO B 42 17.715 8.068 12.217 1.00 7.76 C ATOM 2477 O PRO B 42 17.707 7.951 10.990 1.00 7.31 O ATOM 2478 CB PRO B 42 19.019 6.305 13.486 1.00 8.50 C ATOM 2479 CG PRO B 42 18.625 6.371 14.910 1.00 8.95 C ATOM 2480 CD PRO B 42 19.150 7.678 15.439 1.00 8.46 C ATOM 2481 HA PRO B 42 19.775 8.013 12.278 1.00 0.00 H ATOM 2482 HD3 PRO B 42 18.480 8.092 16.193 1.00 0.00 H ATOM 2483 HD2 PRO B 42 20.145 7.556 15.867 1.00 0.00 H ATOM 2484 HG3 PRO B 42 19.063 5.539 15.461 1.00 0.00 H ATOM 2485 HG2 PRO B 42 17.540 6.336 15.003 1.00 0.00 H ATOM 2486 HB2 PRO B 42 18.309 5.702 12.919 1.00 0.00 H ATOM 2487 HB3 PRO B 42 20.018 5.880 13.384 1.00 0.00 H ATOM 2488 N VAL B 43 16.646 8.421 12.926 1.00 7.17 N ATOM 2489 CA VAL B 43 15.332 8.628 12.316 1.00 7.02 C ATOM 2490 C VAL B 43 14.642 9.797 12.993 1.00 6.78 C ATOM 2491 O VAL B 43 14.580 9.866 14.221 1.00 6.90 O ATOM 2492 CB VAL B 43 14.421 7.380 12.471 1.00 6.88 C ATOM 2493 CG1 VAL B 43 13.045 7.646 11.878 1.00 7.50 C ATOM 2494 CG2 VAL B 43 15.055 6.139 11.843 1.00 7.48 C ATOM 2495 HA VAL B 43 15.490 8.820 11.255 1.00 0.00 H ATOM 2496 HB VAL B 43 14.306 7.183 13.537 1.00 0.00 H ATOM 2497 HG11 VAL B 43 12.584 8.487 12.396 1.00 0.00 H ATOM 2498 HG12 VAL B 43 13.147 7.881 10.818 1.00 0.00 H ATOM 2499 HG13 VAL B 43 12.422 6.759 11.997 1.00 0.00 H ATOM 2500 HG21 VAL B 43 15.220 6.315 10.780 1.00 0.00 H ATOM 2501 HG22 VAL B 43 16.008 5.933 12.331 1.00 0.00 H ATOM 2502 HG23 VAL B 43 14.388 5.287 11.972 1.00 0.00 H ATOM 2503 H VAL B 43 16.748 8.555 13.952 1.00 0.00 H ATOM 2504 N ASN B 44 14.121 10.718 12.191 1.00 6.12 N ATOM 2505 CA ASN B 44 13.354 11.829 12.735 1.00 6.26 C ATOM 2506 C ASN B 44 12.368 12.389 11.731 1.00 6.51 C ATOM 2507 O ASN B 44 12.680 12.506 10.549 1.00 6.90 O ATOM 2508 CB ASN B 44 14.282 12.942 13.209 1.00 6.10 C ATOM 2509 CG ASN B 44 13.556 13.988 14.012 1.00 6.58 C ATOM 2510 OD1 ASN B 44 13.171 13.748 15.160 1.00 8.72 O ATOM 2511 ND2 ASN B 44 13.349 15.150 13.414 1.00 6.25 N ATOM 2512 HA ASN B 44 12.789 11.437 13.581 1.00 0.00 H ATOM 2513 HB2 ASN B 44 15.066 12.505 13.828 1.00 0.00 H ATOM 2514 HB3 ASN B 44 14.732 13.418 12.338 1.00 0.00 H ATOM 2515 HD22 ASN B 44 13.693 15.305 12.445 1.00 0.00 H ATOM 2516 HD21 ASN B 44 12.842 15.909 13.913 1.00 0.00 H ATOM 2517 H ASN B 44 14.262 10.645 11.163 1.00 0.00 H ATOM 2518 N THR B 45 11.182 12.730 12.221 1.00 5.97 N ATOM 2519 CA THR B 45 10.144 13.318 11.386 1.00 5.76 C ATOM 2520 C THR B 45 9.915 14.776 11.759 1.00 5.52 C ATOM 2521 O THR B 45 9.825 15.110 12.945 1.00 5.32 O ATOM 2522 CB THR B 45 8.819 12.546 11.520 1.00 5.98 C ATOM 2523 OG1 THR B 45 9.020 11.187 11.115 1.00 6.24 O ATOM 2524 CG2 THR B 45 7.734 13.170 10.652 1.00 6.26 C ATOM 2525 HA THR B 45 10.485 13.258 10.352 1.00 0.00 H ATOM 2526 HB THR B 45 8.499 12.588 12.561 1.00 0.00 H ATOM 2527 HG1 THR B 45 9.323 11.166 10.173 1.00 0.00 H ATOM 2528 HG23 THR B 45 7.577 14.205 10.956 1.00 0.00 H ATOM 2529 HG21 THR B 45 8.044 13.140 9.608 1.00 0.00 H ATOM 2530 HG22 THR B 45 6.807 12.610 10.773 1.00 0.00 H ATOM 2531 H THR B 45 10.989 12.573 13.231 1.00 0.00 H ATOM 2532 N PHE B 46 9.851 15.631 10.737 1.00 5.43 N ATOM 2533 CA PHE B 46 9.414 17.017 10.896 1.00 5.22 C ATOM 2534 C PHE B 46 8.023 17.181 10.311 1.00 5.59 C ATOM 2535 O PHE B 46 7.714 16.650 9.239 1.00 6.03 O ATOM 2536 CB PHE B 46 10.384 17.992 10.221 1.00 5.37 C ATOM 2537 CG PHE B 46 11.747 18.015 10.842 1.00 4.54 C ATOM 2538 CD1 PHE B 46 11.991 18.769 11.994 1.00 4.69 C ATOM 2539 CD2 PHE B 46 12.794 17.276 10.281 1.00 5.30 C ATOM 2540 CE1 PHE B 46 13.265 18.782 12.581 1.00 4.71 C ATOM 2541 CE2 PHE B 46 14.064 17.293 10.852 1.00 5.47 C ATOM 2542 CZ PHE B 46 14.302 18.047 12.005 1.00 5.39 C ATOM 2543 HA PHE B 46 9.396 17.249 11.961 1.00 0.00 H ATOM 2544 HB2 PHE B 46 10.487 17.705 9.175 1.00 0.00 H ATOM 2545 HB3 PHE B 46 9.961 18.995 10.281 1.00 0.00 H ATOM 2546 HD2 PHE B 46 12.614 16.680 9.386 1.00 0.00 H ATOM 2547 HE2 PHE B 46 14.873 16.718 10.400 1.00 0.00 H ATOM 2548 HZ PHE B 46 15.296 18.061 12.453 1.00 0.00 H ATOM 2549 HE1 PHE B 46 13.444 19.365 13.485 1.00 0.00 H ATOM 2550 HD1 PHE B 46 11.185 19.351 12.440 1.00 0.00 H ATOM 2551 H PHE B 46 10.123 15.298 9.790 1.00 0.00 H ATOM 2552 N VAL B 47 7.185 17.903 11.038 1.00 4.95 N ATOM 2553 CA VAL B 47 5.802 18.122 10.651 1.00 5.10 C ATOM 2554 C VAL B 47 5.628 19.572 10.215 1.00 5.00 C ATOM 2555 O VAL B 47 6.048 20.499 10.920 1.00 5.08 O ATOM 2556 CB VAL B 47 4.830 17.804 11.823 1.00 5.41 C ATOM 2557 CG1 VAL B 47 3.395 17.992 11.377 1.00 5.73 C ATOM 2558 CG2 VAL B 47 5.042 16.377 12.354 1.00 6.17 C ATOM 2559 HA VAL B 47 5.563 17.451 9.826 1.00 0.00 H ATOM 2560 HB VAL B 47 5.044 18.498 12.636 1.00 0.00 H ATOM 2561 HG11 VAL B 47 3.247 19.024 11.059 1.00 0.00 H ATOM 2562 HG12 VAL B 47 3.184 17.321 10.545 1.00 0.00 H ATOM 2563 HG13 VAL B 47 2.725 17.766 12.207 1.00 0.00 H ATOM 2564 HG21 VAL B 47 4.863 15.662 11.551 1.00 0.00 H ATOM 2565 HG22 VAL B 47 6.066 16.273 12.714 1.00 0.00 H ATOM 2566 HG23 VAL B 47 4.347 16.188 13.172 1.00 0.00 H ATOM 2567 H VAL B 47 7.530 18.330 11.921 1.00 0.00 H ATOM 2568 N HIS B 48 4.973 19.763 9.069 1.00 4.76 N ATOM 2569 CA HIS B 48 4.853 21.092 8.454 1.00 4.73 C ATOM 2570 C HIS B 48 3.476 21.735 8.570 1.00 4.81 C ATOM 2571 O HIS B 48 3.277 22.871 8.125 1.00 4.63 O ATOM 2572 CB HIS B 48 5.288 21.020 6.995 1.00 5.04 C ATOM 2573 CG HIS B 48 6.630 20.394 6.829 1.00 4.81 C ATOM 2574 ND1 HIS B 48 7.758 20.898 7.442 1.00 4.56 N ATOM 2575 CD2 HIS B 48 7.021 19.280 6.170 1.00 6.07 C ATOM 2576 CE1 HIS B 48 8.792 20.125 7.154 1.00 4.95 C ATOM 2577 NE2 HIS B 48 8.371 19.141 6.379 1.00 5.48 N ATOM 2578 HA HIS B 48 5.514 21.745 9.024 1.00 0.00 H ATOM 2579 HB2 HIS B 48 4.557 20.432 6.441 1.00 0.00 H ATOM 2580 HB3 HIS B 48 5.321 22.031 6.590 1.00 0.00 H ATOM 2581 HD2 HIS B 48 6.385 18.617 5.583 1.00 0.00 H ATOM 2582 HE1 HIS B 48 9.816 20.274 7.497 1.00 0.00 H ATOM 2583 H HIS B 48 4.534 18.947 8.597 1.00 0.00 H ATOM 2584 N GLU B 49 2.534 21.012 9.171 1.00 5.16 N ATOM 2585 CA GLU B 49 1.245 21.602 9.517 1.00 5.27 C ATOM 2586 C GLU B 49 1.435 22.582 10.677 1.00 5.13 C ATOM 2587 O GLU B 49 2.508 22.648 11.296 1.00 5.16 O ATOM 2588 CB GLU B 49 0.238 20.499 9.875 1.00 5.68 C ATOM 2589 CG GLU B 49 0.093 19.416 8.789 1.00 6.63 C ATOM 2590 CD GLU B 49 -0.494 19.929 7.480 1.00 8.00 C ATOM 2591 OE1 GLU B 49 -1.139 20.999 7.483 1.00 8.47 O ATOM 2592 OE2 GLU B 49 -0.306 19.272 6.425 1.00 8.24 O ATOM 2593 HA GLU B 49 0.846 22.149 8.662 1.00 0.00 H ATOM 2594 HB2 GLU B 49 0.566 20.020 10.798 1.00 0.00 H ATOM 2595 HB3 GLU B 49 -0.737 20.961 10.033 1.00 0.00 H ATOM 2596 HG2 GLU B 49 1.080 19.001 8.584 1.00 0.00 H ATOM 2597 HG3 GLU B 49 -0.558 18.630 9.172 1.00 0.00 H ATOM 2598 H GLU B 49 2.719 20.014 9.397 1.00 0.00 H ATOM 2599 N SER B 50 0.397 23.357 10.964 1.00 5.09 N ATOM 2600 CA SER B 50 0.448 24.312 12.063 1.00 5.13 C ATOM 2601 C SER B 50 0.610 23.607 13.397 1.00 5.19 C ATOM 2602 O SER B 50 0.164 22.470 13.571 1.00 4.66 O ATOM 2603 CB SER B 50 -0.831 25.136 12.090 1.00 5.15 C ATOM 2604 OG SER B 50 -1.934 24.302 12.422 1.00 6.19 O ATOM 2605 HA SER B 50 1.310 24.960 11.903 1.00 0.00 H ATOM 2606 HB2 SER B 50 -0.996 25.581 11.109 1.00 0.00 H ATOM 2607 HB3 SER B 50 -0.737 25.926 12.835 1.00 0.00 H ATOM 2608 HG SER B 50 -2.763 24.844 12.438 1.00 0.00 H ATOM 2609 H SER B 50 -0.469 23.281 10.394 1.00 0.00 H ATOM 2610 N LEU B 51 1.221 24.303 14.351 1.00 4.92 N ATOM 2611 CA LEU B 51 1.330 23.777 15.700 1.00 5.65 C ATOM 2612 C LEU B 51 -0.063 23.480 16.278 1.00 5.35 C ATOM 2613 O LEU B 51 -0.258 22.467 16.953 1.00 5.51 O ATOM 2614 CB LEU B 51 2.121 24.748 16.588 1.00 5.67 C ATOM 2615 CG LEU B 51 2.324 24.319 18.042 1.00 6.47 C ATOM 2616 CD1 LEU B 51 3.117 23.016 18.136 1.00 7.44 C ATOM 2617 CD2 LEU B 51 3.007 25.452 18.808 1.00 6.99 C ATOM 2618 HA LEU B 51 1.878 22.835 15.670 1.00 0.00 H ATOM 2619 HB2 LEU B 51 3.105 24.882 16.140 1.00 0.00 H ATOM 2620 HB3 LEU B 51 1.592 25.701 16.593 1.00 0.00 H ATOM 2621 HG LEU B 51 1.352 24.122 18.495 1.00 0.00 H ATOM 2622 HD21 LEU B 51 3.973 25.668 18.351 1.00 0.00 H ATOM 2623 HD22 LEU B 51 2.380 26.343 18.772 1.00 0.00 H ATOM 2624 HD23 LEU B 51 3.154 25.151 19.845 1.00 0.00 H ATOM 2625 HD11 LEU B 51 2.577 22.225 17.615 1.00 0.00 H ATOM 2626 HD12 LEU B 51 4.096 23.154 17.676 1.00 0.00 H ATOM 2627 HD13 LEU B 51 3.241 22.743 19.184 1.00 0.00 H ATOM 2628 H LEU B 51 1.626 25.235 14.128 1.00 0.00 H ATOM 2629 N ALA B 52 -1.035 24.341 15.984 1.00 5.75 N ATOM 2630 CA ALA B 52 -2.402 24.105 16.432 1.00 6.07 C ATOM 2631 C ALA B 52 -2.952 22.778 15.915 1.00 6.18 C ATOM 2632 O ALA B 52 -3.562 22.013 16.673 1.00 6.74 O ATOM 2633 CB ALA B 52 -3.303 25.258 16.017 1.00 6.07 C ATOM 2634 HA ALA B 52 -2.384 24.045 17.520 1.00 0.00 H ATOM 2635 HB1 ALA B 52 -2.937 26.182 16.464 1.00 0.00 H ATOM 2636 HB2 ALA B 52 -3.296 25.350 14.931 1.00 0.00 H ATOM 2637 HB3 ALA B 52 -4.319 25.065 16.360 1.00 0.00 H ATOM 2638 H ALA B 52 -0.816 25.192 15.428 1.00 0.00 H ATOM 2639 N ASP B 53 -2.736 22.496 14.629 1.00 5.92 N ATOM 2640 CA ASP B 53 -3.205 21.231 14.055 1.00 6.12 C ATOM 2641 C ASP B 53 -2.528 20.016 14.692 1.00 5.87 C ATOM 2642 O ASP B 53 -3.165 18.982 14.899 1.00 6.20 O ATOM 2643 CB ASP B 53 -3.006 21.191 12.540 1.00 6.22 C ATOM 2644 CG ASP B 53 -4.078 21.966 11.783 1.00 6.87 C ATOM 2645 OD1 ASP B 53 -5.000 22.522 12.422 1.00 7.98 O ATOM 2646 OD2 ASP B 53 -3.990 21.997 10.539 1.00 8.41 O ATOM 2647 HA ASP B 53 -4.272 21.180 14.274 1.00 0.00 H ATOM 2648 HB2 ASP B 53 -2.033 21.622 12.305 1.00 0.00 H ATOM 2649 HB3 ASP B 53 -3.031 20.152 12.213 1.00 0.00 H ATOM 2650 H ASP B 53 -2.231 23.179 14.029 1.00 0.00 H ATOM 2651 N VAL B 54 -1.240 20.140 14.988 1.00 5.43 N ATOM 2652 CA VAL B 54 -0.506 19.030 15.593 1.00 5.70 C ATOM 2653 C VAL B 54 -0.949 18.816 17.045 1.00 5.36 C ATOM 2654 O VAL B 54 -1.189 17.682 17.457 1.00 5.89 O ATOM 2655 CB VAL B 54 1.022 19.200 15.441 1.00 5.57 C ATOM 2656 CG1 VAL B 54 1.766 18.023 16.079 1.00 5.90 C ATOM 2657 CG2 VAL B 54 1.372 19.281 13.956 1.00 6.27 C ATOM 2658 HA VAL B 54 -0.753 18.118 15.050 1.00 0.00 H ATOM 2659 HB VAL B 54 1.326 20.116 15.948 1.00 0.00 H ATOM 2660 HG11 VAL B 54 1.521 17.972 17.140 1.00 0.00 H ATOM 2661 HG12 VAL B 54 1.464 17.096 15.590 1.00 0.00 H ATOM 2662 HG13 VAL B 54 2.840 18.166 15.959 1.00 0.00 H ATOM 2663 HG21 VAL B 54 1.054 18.365 13.458 1.00 0.00 H ATOM 2664 HG22 VAL B 54 0.862 20.135 13.510 1.00 0.00 H ATOM 2665 HG23 VAL B 54 2.450 19.401 13.844 1.00 0.00 H ATOM 2666 H VAL B 54 -0.749 21.035 14.788 1.00 0.00 H ATOM 2667 N LYS B 55 -1.097 19.907 17.793 1.00 5.34 N ATOM 2668 CA LYS B 55 -1.649 19.827 19.145 1.00 5.69 C ATOM 2669 C LYS B 55 -3.019 19.162 19.163 1.00 5.75 C ATOM 2670 O LYS B 55 -3.325 18.399 20.076 1.00 6.83 O ATOM 2671 CB LYS B 55 -1.732 21.206 19.790 1.00 5.58 C ATOM 2672 CG LYS B 55 -0.390 21.740 20.248 1.00 5.66 C ATOM 2673 CD LYS B 55 -0.554 23.113 20.864 1.00 7.24 C ATOM 2674 CE LYS B 55 0.746 23.617 21.437 1.00 9.50 C ATOM 2675 NZ LYS B 55 0.555 24.945 22.089 1.00 11.16 N ATOM 2676 HA LYS B 55 -0.965 19.207 19.725 1.00 0.00 H ATOM 2677 HB2 LYS B 55 -2.151 21.902 19.064 1.00 0.00 H ATOM 2678 HB3 LYS B 55 -2.392 21.144 20.655 1.00 0.00 H ATOM 2679 HG2 LYS B 55 0.034 21.062 20.988 1.00 0.00 H ATOM 2680 HG3 LYS B 55 0.282 21.807 19.392 1.00 0.00 H ATOM 2681 HD2 LYS B 55 -0.897 23.808 20.097 1.00 0.00 H ATOM 2682 HD3 LYS B 55 -1.296 23.058 21.661 1.00 0.00 H ATOM 2683 HE2 LYS B 55 1.477 23.714 20.635 1.00 0.00 H ATOM 2684 HE3 LYS B 55 1.112 22.904 22.176 1.00 0.00 H ATOM 2685 HZ1 LYS B 55 0.209 25.629 21.386 1.00 0.00 H ATOM 2686 HZ2 LYS B 55 -0.140 24.856 22.858 1.00 0.00 H ATOM 2687 HZ3 LYS B 55 1.463 25.273 22.477 1.00 0.00 H ATOM 2688 H LYS B 55 -0.815 20.832 17.410 1.00 0.00 H ATOM 2689 N ALA B 56 -3.835 19.451 18.153 1.00 6.10 N ATOM 2690 CA ALA B 56 -5.191 18.897 18.066 1.00 5.88 C ATOM 2691 C ALA B 56 -5.234 17.369 17.947 1.00 5.99 C ATOM 2692 O ALA B 56 -6.251 16.753 18.274 1.00 6.23 O ATOM 2693 CB ALA B 56 -5.958 19.547 16.918 1.00 5.97 C ATOM 2694 HA ALA B 56 -5.675 19.134 19.013 1.00 0.00 H ATOM 2695 HB1 ALA B 56 -6.023 20.622 17.089 1.00 0.00 H ATOM 2696 HB2 ALA B 56 -5.435 19.358 15.980 1.00 0.00 H ATOM 2697 HB3 ALA B 56 -6.962 19.124 16.868 1.00 0.00 H ATOM 2698 H ALA B 56 -3.502 20.089 17.402 1.00 0.00 H ATOM 2699 N VAL B 57 -4.143 16.760 17.477 1.00 5.30 N ATOM 2700 CA VAL B 57 -4.076 15.298 17.355 1.00 5.40 C ATOM 2701 C VAL B 57 -4.310 14.618 18.714 1.00 5.63 C ATOM 2702 O VAL B 57 -4.862 13.524 18.777 1.00 5.86 O ATOM 2703 CB VAL B 57 -2.734 14.833 16.716 1.00 5.21 C ATOM 2704 CG1 VAL B 57 -2.629 13.314 16.696 1.00 5.39 C ATOM 2705 CG2 VAL B 57 -2.596 15.394 15.296 1.00 5.34 C ATOM 2706 HA VAL B 57 -4.877 14.991 16.683 1.00 0.00 H ATOM 2707 HB VAL B 57 -1.920 15.219 17.329 1.00 0.00 H ATOM 2708 HG11 VAL B 57 -2.678 12.934 17.717 1.00 0.00 H ATOM 2709 HG12 VAL B 57 -3.453 12.902 16.113 1.00 0.00 H ATOM 2710 HG13 VAL B 57 -1.681 13.023 16.244 1.00 0.00 H ATOM 2711 HG21 VAL B 57 -3.424 15.037 14.684 1.00 0.00 H ATOM 2712 HG22 VAL B 57 -2.613 16.483 15.334 1.00 0.00 H ATOM 2713 HG23 VAL B 57 -1.653 15.059 14.865 1.00 0.00 H ATOM 2714 H VAL B 57 -3.323 17.333 17.191 1.00 0.00 H ATOM 2715 N CYS B 58 -3.909 15.285 19.794 1.00 6.08 N ATOM 2716 CA CYS B 58 -4.113 14.753 21.149 1.00 6.51 C ATOM 2717 C CYS B 58 -5.590 14.570 21.520 1.00 6.98 C ATOM 2718 O CYS B 58 -5.910 13.895 22.512 1.00 7.17 O ATOM 2719 CB CYS B 58 -3.405 15.626 22.185 1.00 6.75 C ATOM 2720 SG CYS B 58 -1.624 15.673 21.982 1.00 7.90 S ATOM 2721 HA CYS B 58 -3.671 13.757 21.152 1.00 0.00 H ATOM 2722 HB2 CYS B 58 -3.629 15.235 23.177 1.00 0.00 H ATOM 2723 HB3 CYS B 58 -3.789 16.643 22.101 1.00 0.00 H ATOM 2724 H CYS B 58 -3.440 16.206 19.676 1.00 0.00 H ATOM 2725 N SER B 59 -6.480 15.170 20.732 1.00 6.78 N ATOM 2726 CA SER B 59 -7.922 15.014 20.927 1.00 7.42 C ATOM 2727 C SER B 59 -8.561 14.138 19.851 1.00 7.45 C ATOM 2728 O SER B 59 -9.788 14.041 19.771 1.00 7.04 O ATOM 2729 CB SER B 59 -8.614 16.378 20.988 1.00 7.49 C ATOM 2730 OG SER B 59 -8.622 17.003 19.720 1.00 7.95 O ATOM 2731 HA SER B 59 -8.060 14.506 21.882 1.00 0.00 H ATOM 2732 HB2 SER B 59 -8.084 17.015 21.696 1.00 0.00 H ATOM 2733 HB3 SER B 59 -9.642 16.241 21.324 1.00 0.00 H ATOM 2734 HG SER B 59 -7.690 17.134 19.412 1.00 0.00 H ATOM 2735 H SER B 59 -6.139 15.769 19.953 1.00 0.00 H ATOM 2736 N GLN B 60 -7.727 13.488 19.042 1.00 8.28 N ATOM 2737 CA GLN B 60 -8.208 12.679 17.920 1.00 8.87 C ATOM 2738 C GLN B 60 -8.197 11.169 18.239 1.00 9.54 C ATOM 2739 O GLN B 60 -8.508 10.789 19.367 1.00 9.59 O ATOM 2740 CB GLN B 60 -7.502 13.090 16.614 1.00 9.00 C ATOM 2741 CG GLN B 60 -7.893 14.534 16.224 1.00 8.91 C ATOM 2742 CD GLN B 60 -7.056 15.165 15.117 1.00 9.31 C ATOM 2743 OE1 GLN B 60 -6.380 14.481 14.345 1.00 9.40 O ATOM 2744 NE2 GLN B 60 -7.116 16.493 15.028 1.00 9.01 N ATOM 2745 HA GLN B 60 -9.264 12.891 17.754 1.00 0.00 H ATOM 2746 HB2 GLN B 60 -6.423 13.035 16.756 1.00 0.00 H ATOM 2747 HB3 GLN B 60 -7.797 12.409 15.816 1.00 0.00 H ATOM 2748 HG2 GLN B 60 -8.932 14.524 15.895 1.00 0.00 H ATOM 2749 HG3 GLN B 60 -7.801 15.159 17.112 1.00 0.00 H ATOM 2750 HE22 GLN B 60 -7.698 17.033 15.699 1.00 0.00 H ATOM 2751 HE21 GLN B 60 -6.580 16.989 14.287 1.00 0.00 H ATOM 2752 H GLN B 60 -6.703 13.557 19.212 1.00 0.00 H ATOM 2753 N LYS B 61 -7.877 10.313 17.273 1.00 9.97 N ATOM 2754 CA LYS B 61 -8.070 8.870 17.457 1.00 10.84 C ATOM 2755 C LYS B 61 -7.011 8.217 18.357 1.00 10.75 C ATOM 2756 O LYS B 61 -5.826 8.229 18.043 1.00 10.37 O ATOM 2757 CB LYS B 61 -8.133 8.166 16.094 1.00 10.95 C ATOM 2758 CG LYS B 61 -8.590 6.719 16.137 1.00 12.90 C ATOM 2759 CD LYS B 61 -8.247 6.010 14.832 1.00 15.29 C ATOM 2760 CE LYS B 61 -8.616 4.535 14.887 1.00 17.12 C ATOM 2761 NZ LYS B 61 -7.860 3.744 13.874 1.00 19.15 N ATOM 2762 HA LYS B 61 -9.020 8.749 17.977 1.00 0.00 H ATOM 2763 HB2 LYS B 61 -8.824 8.720 15.459 1.00 0.00 H ATOM 2764 HB3 LYS B 61 -7.136 8.193 15.653 1.00 0.00 H ATOM 2765 HG2 LYS B 61 -8.093 6.210 16.963 1.00 0.00 H ATOM 2766 HG3 LYS B 61 -9.669 6.688 16.289 1.00 0.00 H ATOM 2767 HD2 LYS B 61 -8.795 6.483 14.017 1.00 0.00 H ATOM 2768 HD3 LYS B 61 -7.176 6.101 14.649 1.00 0.00 H ATOM 2769 HE2 LYS B 61 -9.684 4.429 14.694 1.00 0.00 H ATOM 2770 HE3 LYS B 61 -8.387 4.149 15.881 1.00 0.00 H ATOM 2771 HZ1 LYS B 61 -8.078 4.103 12.923 1.00 0.00 H ATOM 2772 HZ2 LYS B 61 -6.840 3.836 14.055 1.00 0.00 H ATOM 2773 HZ3 LYS B 61 -8.137 2.744 13.940 1.00 0.00 H ATOM 2774 H LYS B 61 -7.486 10.670 16.378 1.00 0.00 H ATOM 2775 N LYS B 62 -7.454 7.650 19.477 1.00 11.45 N ATOM 2776 CA LYS B 62 -6.590 6.839 20.335 1.00 12.10 C ATOM 2777 C LYS B 62 -6.124 5.569 19.630 1.00 12.56 C ATOM 2778 O LYS B 62 -6.947 4.784 19.143 1.00 12.55 O ATOM 2779 CB LYS B 62 -7.330 6.452 21.616 1.00 12.48 C ATOM 2780 CG LYS B 62 -6.847 7.164 22.855 1.00 14.36 C ATOM 2781 CD LYS B 62 -5.558 6.548 23.380 1.00 16.51 C ATOM 2782 CE LYS B 62 -5.247 7.062 24.769 1.00 17.24 C ATOM 2783 NZ LYS B 62 -6.078 6.411 25.818 1.00 18.31 N ATOM 2784 HA LYS B 62 -5.715 7.443 20.575 1.00 0.00 H ATOM 2785 HB2 LYS B 62 -8.387 6.681 21.481 1.00 0.00 H ATOM 2786 HB3 LYS B 62 -7.208 5.380 21.770 1.00 0.00 H ATOM 2787 HG2 LYS B 62 -6.668 8.212 22.616 1.00 0.00 H ATOM 2788 HG3 LYS B 62 -7.614 7.095 23.626 1.00 0.00 H ATOM 2789 HD2 LYS B 62 -5.667 5.464 23.415 1.00 0.00 H ATOM 2790 HD3 LYS B 62 -4.738 6.807 22.710 1.00 0.00 H ATOM 2791 HE2 LYS B 62 -5.431 8.136 24.794 1.00 0.00 H ATOM 2792 HE3 LYS B 62 -4.196 6.870 24.986 1.00 0.00 H ATOM 2793 HZ1 LYS B 62 -7.083 6.595 25.626 1.00 0.00 H ATOM 2794 HZ2 LYS B 62 -5.904 5.386 25.809 1.00 0.00 H ATOM 2795 HZ3 LYS B 62 -5.825 6.799 26.749 1.00 0.00 H ATOM 2796 H LYS B 62 -8.448 7.788 19.751 1.00 0.00 H ATOM 2797 N VAL B 63 -4.809 5.362 19.588 1.00 12.75 N ATOM 2798 CA VAL B 63 -4.237 4.179 18.941 1.00 13.42 C ATOM 2799 C VAL B 63 -3.114 3.593 19.784 1.00 13.96 C ATOM 2800 O VAL B 63 -2.628 4.237 20.710 1.00 13.93 O ATOM 2801 CB VAL B 63 -3.705 4.471 17.507 1.00 13.24 C ATOM 2802 CG1 VAL B 63 -4.814 4.970 16.595 1.00 13.26 C ATOM 2803 CG2 VAL B 63 -2.535 5.457 17.547 1.00 13.10 C ATOM 2804 HA VAL B 63 -5.050 3.459 18.853 1.00 0.00 H ATOM 2805 HB VAL B 63 -3.338 3.532 17.092 1.00 0.00 H ATOM 2806 HG11 VAL B 63 -5.595 4.213 16.527 1.00 0.00 H ATOM 2807 HG12 VAL B 63 -5.232 5.890 17.003 1.00 0.00 H ATOM 2808 HG13 VAL B 63 -4.407 5.164 15.603 1.00 0.00 H ATOM 2809 HG21 VAL B 63 -2.866 6.394 17.995 1.00 0.00 H ATOM 2810 HG22 VAL B 63 -1.725 5.034 18.142 1.00 0.00 H ATOM 2811 HG23 VAL B 63 -2.183 5.643 16.532 1.00 0.00 H ATOM 2812 H VAL B 63 -4.172 6.058 20.026 1.00 0.00 H ATOM 2813 N THR B 64 -2.704 2.373 19.454 1.00 14.70 N ATOM 2814 CA THR B 64 -1.577 1.731 20.124 1.00 15.35 C ATOM 2815 C THR B 64 -0.270 2.500 19.899 1.00 15.26 C ATOM 2816 O THR B 64 -0.003 2.971 18.792 1.00 16.28 O ATOM 2817 CB THR B 64 -1.402 0.269 19.657 1.00 15.40 C ATOM 2818 OG1 THR B 64 -1.134 0.244 18.247 1.00 15.99 O ATOM 2819 CG2 THR B 64 -2.663 -0.534 19.943 1.00 15.68 C ATOM 2820 HA THR B 64 -1.805 1.737 21.190 1.00 0.00 H ATOM 2821 HB THR B 64 -0.568 -0.175 20.201 1.00 0.00 H ATOM 2822 HG1 THR B 64 -1.891 0.657 17.761 1.00 0.00 H ATOM 2823 HG23 THR B 64 -2.868 -0.516 21.013 1.00 0.00 H ATOM 2824 HG21 THR B 64 -3.502 -0.095 19.403 1.00 0.00 H ATOM 2825 HG22 THR B 64 -2.518 -1.564 19.616 1.00 0.00 H ATOM 2826 H THR B 64 -3.200 1.861 18.697 1.00 0.00 H ATOM 2827 N CYS B 65 0.519 2.655 20.960 1.00 15.46 N ATOM 2828 CA CYS B 65 1.882 3.185 20.842 1.00 15.30 C ATOM 2829 C CYS B 65 2.789 2.039 20.487 1.00 15.03 C ATOM 2830 O CYS B 65 2.578 0.918 20.960 1.00 15.13 O ATOM 2831 CB CYS B 65 2.391 3.751 22.165 1.00 15.17 C ATOM 2832 SG CYS B 65 1.472 5.092 22.862 1.00 16.84 S ATOM 2833 HA CYS B 65 1.874 3.977 20.093 1.00 0.00 H ATOM 2834 HB2 CYS B 65 3.412 4.098 22.005 1.00 0.00 H ATOM 2835 HB3 CYS B 65 2.394 2.939 22.892 1.00 0.00 H ATOM 2836 H CYS B 65 0.159 2.393 21.900 1.00 0.00 H ATOM 2837 N LYS B 66 3.819 2.320 19.695 1.00 14.72 N ATOM 2838 CA LYS B 66 4.836 1.312 19.399 1.00 14.15 C ATOM 2839 C LYS B 66 5.486 0.770 20.672 1.00 13.51 C ATOM 2840 O LYS B 66 5.889 -0.393 20.714 1.00 13.51 O ATOM 2841 CB LYS B 66 5.896 1.852 18.437 1.00 14.39 C ATOM 2842 CG LYS B 66 5.384 2.026 17.017 1.00 15.53 C ATOM 2843 CD LYS B 66 6.513 1.967 16.003 1.00 18.09 C ATOM 2844 CE LYS B 66 5.964 1.808 14.591 1.00 18.47 C ATOM 2845 NZ LYS B 66 7.036 1.850 13.564 1.00 19.82 N ATOM 2846 HA LYS B 66 4.326 0.482 18.909 1.00 0.00 H ATOM 2847 HB2 LYS B 66 6.236 2.820 18.804 1.00 0.00 H ATOM 2848 HB3 LYS B 66 6.735 1.156 18.420 1.00 0.00 H ATOM 2849 HG2 LYS B 66 4.670 1.232 16.798 1.00 0.00 H ATOM 2850 HG3 LYS B 66 4.886 2.992 16.936 1.00 0.00 H ATOM 2851 HD2 LYS B 66 7.093 2.888 16.060 1.00 0.00 H ATOM 2852 HD3 LYS B 66 7.157 1.119 16.234 1.00 0.00 H ATOM 2853 HE2 LYS B 66 5.258 2.615 14.395 1.00 0.00 H ATOM 2854 HE3 LYS B 66 5.447 0.851 14.521 1.00 0.00 H ATOM 2855 HZ1 LYS B 66 7.530 2.763 13.618 1.00 0.00 H ATOM 2856 HZ2 LYS B 66 7.711 1.078 13.738 1.00 0.00 H ATOM 2857 HZ3 LYS B 66 6.614 1.738 12.620 1.00 0.00 H ATOM 2858 H LYS B 66 3.903 3.270 19.280 1.00 0.00 H ATOM 2859 N ASN B 67 5.582 1.610 21.706 1.00 12.61 N ATOM 2860 CA ASN B 67 6.192 1.195 22.973 1.00 11.92 C ATOM 2861 C ASN B 67 5.193 0.643 23.989 1.00 11.04 C ATOM 2862 O ASN B 67 5.531 0.417 25.153 1.00 10.83 O ATOM 2863 CB ASN B 67 7.027 2.330 23.589 1.00 11.85 C ATOM 2864 CG ASN B 67 6.180 3.410 24.267 1.00 12.36 C ATOM 2865 OD1 ASN B 67 4.946 3.397 24.223 1.00 13.20 O ATOM 2866 ND2 ASN B 67 6.857 4.354 24.906 1.00 11.15 N ATOM 2867 HA ASN B 67 6.854 0.366 22.720 1.00 0.00 H ATOM 2868 HB2 ASN B 67 7.699 1.901 24.332 1.00 0.00 H ATOM 2869 HB3 ASN B 67 7.613 2.797 22.797 1.00 0.00 H ATOM 2870 HD22 ASN B 67 7.897 4.329 24.920 1.00 0.00 H ATOM 2871 HD21 ASN B 67 6.348 5.119 25.393 1.00 0.00 H ATOM 2872 H ASN B 67 5.216 2.579 21.610 1.00 0.00 H ATOM 2873 N GLY B 68 3.952 0.447 23.553 1.00 10.54 N ATOM 2874 CA GLY B 68 2.949 -0.168 24.419 1.00 9.74 C ATOM 2875 C GLY B 68 2.318 0.724 25.470 1.00 9.35 C ATOM 2876 O GLY B 68 1.508 0.251 26.266 1.00 9.12 O ATOM 2877 HA3 GLY B 68 3.425 -1.002 24.935 1.00 0.00 H ATOM 2878 HA2 GLY B 68 2.149 -0.545 23.782 1.00 0.00 H ATOM 2879 H GLY B 68 3.693 0.734 22.587 1.00 0.00 H ATOM 2880 N GLN B 69 2.680 2.009 25.495 1.00 8.53 N ATOM 2881 CA GLN B 69 1.992 2.940 26.383 1.00 8.34 C ATOM 2882 C GLN B 69 0.620 3.231 25.807 1.00 8.34 C ATOM 2883 O GLN B 69 0.329 2.866 24.668 1.00 8.28 O ATOM 2884 CB GLN B 69 2.787 4.229 26.596 1.00 8.31 C ATOM 2885 CG GLN B 69 4.055 4.025 27.392 1.00 8.64 C ATOM 2886 CD GLN B 69 4.640 5.330 27.878 1.00 8.87 C ATOM 2887 OE1 GLN B 69 4.084 5.979 28.762 1.00 10.31 O ATOM 2888 NE2 GLN B 69 5.770 5.717 27.309 1.00 9.00 N ATOM 2889 HA GLN B 69 1.892 2.481 27.366 1.00 0.00 H ATOM 2890 HB2 GLN B 69 3.052 4.637 25.621 1.00 0.00 H ATOM 2891 HB3 GLN B 69 2.156 4.941 27.127 1.00 0.00 H ATOM 2892 HG2 GLN B 69 3.831 3.397 28.255 1.00 0.00 H ATOM 2893 HG3 GLN B 69 4.789 3.524 26.761 1.00 0.00 H ATOM 2894 HE22 GLN B 69 6.204 5.134 26.565 1.00 0.00 H ATOM 2895 HE21 GLN B 69 6.225 6.604 27.606 1.00 0.00 H ATOM 2896 H GLN B 69 3.451 2.345 24.883 1.00 0.00 H ATOM 2897 N THR B 70 -0.229 3.870 26.600 1.00 7.95 N ATOM 2898 CA THR B 70 -1.614 4.051 26.215 1.00 7.92 C ATOM 2899 C THR B 70 -1.959 5.524 26.043 1.00 7.86 C ATOM 2900 O THR B 70 -3.088 5.936 26.299 1.00 8.45 O ATOM 2901 CB THR B 70 -2.547 3.386 27.233 1.00 7.82 C ATOM 2902 OG1 THR B 70 -2.191 3.820 28.553 1.00 7.58 O ATOM 2903 CG2 THR B 70 -2.410 1.866 27.160 1.00 8.41 C ATOM 2904 HA THR B 70 -1.757 3.568 25.249 1.00 0.00 H ATOM 2905 HB THR B 70 -3.576 3.667 27.007 1.00 0.00 H ATOM 2906 HG1 THR B 70 -2.792 3.392 29.213 1.00 0.00 H ATOM 2907 HG23 THR B 70 -2.679 1.526 26.160 1.00 0.00 H ATOM 2908 HG21 THR B 70 -1.379 1.585 27.376 1.00 0.00 H ATOM 2909 HG22 THR B 70 -3.075 1.407 27.892 1.00 0.00 H ATOM 2910 H THR B 70 0.104 4.246 27.511 1.00 0.00 H ATOM 2911 N ASN B 71 -0.983 6.306 25.582 1.00 7.49 N ATOM 2912 CA ASN B 71 -1.162 7.744 25.427 1.00 7.49 C ATOM 2913 C ASN B 71 -0.913 8.236 24.002 1.00 7.26 C ATOM 2914 O ASN B 71 -0.587 9.406 23.800 1.00 7.21 O ATOM 2915 CB ASN B 71 -0.267 8.494 26.423 1.00 7.70 C ATOM 2916 CG ASN B 71 1.219 8.301 26.140 1.00 9.04 C ATOM 2917 OD1 ASN B 71 1.634 7.300 25.543 1.00 10.31 O ATOM 2918 ND2 ASN B 71 2.026 9.276 26.551 1.00 12.56 N ATOM 2919 HA ASN B 71 -2.210 7.956 25.641 1.00 0.00 H ATOM 2920 HB2 ASN B 71 -0.498 9.558 26.367 1.00 0.00 H ATOM 2921 HB3 ASN B 71 -0.481 8.130 27.428 1.00 0.00 H ATOM 2922 HD22 ASN B 71 1.634 10.100 27.050 1.00 0.00 H ATOM 2923 HD21 ASN B 71 3.049 9.214 26.374 1.00 0.00 H ATOM 2924 H ASN B 71 -0.070 5.879 25.326 1.00 0.00 H ATOM 2925 N CYS B 72 -1.062 7.342 23.025 1.00 7.18 N ATOM 2926 CA CYS B 72 -0.835 7.710 21.621 1.00 7.21 C ATOM 2927 C CYS B 72 -2.111 8.014 20.864 1.00 7.28 C ATOM 2928 O CYS B 72 -3.160 7.409 21.103 1.00 7.60 O ATOM 2929 CB CYS B 72 -0.043 6.642 20.875 1.00 7.94 C ATOM 2930 SG CYS B 72 1.638 6.519 21.444 1.00 9.88 S ATOM 2931 HA CYS B 72 -0.250 8.629 21.662 1.00 0.00 H ATOM 2932 HB2 CYS B 72 -0.036 6.889 19.813 1.00 0.00 H ATOM 2933 HB3 CYS B 72 -0.533 5.679 21.019 1.00 0.00 H ATOM 2934 H CYS B 72 -1.343 6.369 23.260 1.00 0.00 H ATOM 2935 N TYR B 73 -1.988 8.953 19.934 1.00 7.04 N ATOM 2936 CA TYR B 73 -3.110 9.446 19.168 1.00 7.21 C ATOM 2937 C TYR B 73 -2.684 9.594 17.725 1.00 7.24 C ATOM 2938 O TYR B 73 -1.561 10.034 17.443 1.00 7.49 O ATOM 2939 CB TYR B 73 -3.557 10.799 19.724 1.00 7.57 C ATOM 2940 CG TYR B 73 -4.101 10.699 21.128 1.00 7.63 C ATOM 2941 CD1 TYR B 73 -3.248 10.732 22.234 1.00 8.30 C ATOM 2942 CD2 TYR B 73 -5.467 10.566 21.352 1.00 8.65 C ATOM 2943 CE1 TYR B 73 -3.739 10.627 23.525 1.00 9.03 C ATOM 2944 CE2 TYR B 73 -5.971 10.467 22.646 1.00 8.68 C ATOM 2945 CZ TYR B 73 -5.102 10.496 23.723 1.00 9.13 C ATOM 2946 OH TYR B 73 -5.603 10.395 25.004 1.00 10.72 O ATOM 2947 HA TYR B 73 -3.944 8.748 19.234 1.00 0.00 H ATOM 2948 HB3 TYR B 73 -4.335 11.203 19.076 1.00 0.00 H ATOM 2949 HB2 TYR B 73 -2.702 11.475 19.728 1.00 0.00 H ATOM 2950 HD2 TYR B 73 -6.151 10.539 20.504 1.00 0.00 H ATOM 2951 HE2 TYR B 73 -7.044 10.367 22.810 1.00 0.00 H ATOM 2952 HE1 TYR B 73 -3.058 10.647 24.376 1.00 0.00 H ATOM 2953 HD1 TYR B 73 -2.175 10.843 22.078 1.00 0.00 H ATOM 2954 HH TYR B 73 -4.856 10.432 25.653 1.00 0.00 H ATOM 2955 H TYR B 73 -1.045 9.351 19.749 1.00 0.00 H ATOM 2956 N GLN B 74 -3.589 9.220 16.825 1.00 7.23 N ATOM 2957 CA GLN B 74 -3.350 9.287 15.391 1.00 6.93 C ATOM 2958 C GLN B 74 -4.140 10.435 14.787 1.00 6.81 C ATOM 2959 O GLN B 74 -5.313 10.639 15.123 1.00 6.73 O ATOM 2960 CB GLN B 74 -3.763 7.971 14.731 1.00 7.34 C ATOM 2961 CG GLN B 74 -3.545 7.938 13.226 1.00 8.79 C ATOM 2962 CD GLN B 74 -3.798 6.575 12.635 1.00 11.27 C ATOM 2963 OE1 GLN B 74 -4.476 6.448 11.618 1.00 15.37 O ATOM 2964 NE2 GLN B 74 -3.250 5.542 13.267 1.00 12.38 N ATOM 2965 HA GLN B 74 -2.287 9.455 15.217 1.00 0.00 H ATOM 2966 HB2 GLN B 74 -3.182 7.165 15.179 1.00 0.00 H ATOM 2967 HB3 GLN B 74 -4.822 7.806 14.928 1.00 0.00 H ATOM 2968 HG2 GLN B 74 -4.222 8.653 12.759 1.00 0.00 H ATOM 2969 HG3 GLN B 74 -2.515 8.225 13.016 1.00 0.00 H ATOM 2970 HE22 GLN B 74 -2.684 5.698 14.125 1.00 0.00 H ATOM 2971 HE21 GLN B 74 -3.388 4.577 12.903 1.00 0.00 H ATOM 2972 H GLN B 74 -4.507 8.864 17.160 1.00 0.00 H ATOM 2973 N SER B 75 -3.501 11.183 13.893 1.00 6.41 N ATOM 2974 CA SER B 75 -4.190 12.275 13.215 1.00 6.75 C ATOM 2975 C SER B 75 -5.312 11.737 12.329 1.00 7.54 C ATOM 2976 O SER B 75 -5.143 10.730 11.631 1.00 7.86 O ATOM 2977 CB SER B 75 -3.218 13.129 12.395 1.00 6.29 C ATOM 2978 OG SER B 75 -2.573 12.387 11.373 1.00 6.29 O ATOM 2979 HA SER B 75 -4.629 12.915 13.981 1.00 0.00 H ATOM 2980 HB2 SER B 75 -2.460 13.536 13.064 1.00 0.00 H ATOM 2981 HB3 SER B 75 -3.773 13.948 11.936 1.00 0.00 H ATOM 2982 HG SER B 75 -3.253 12.019 10.755 1.00 0.00 H ATOM 2983 H SER B 75 -2.503 10.988 13.676 1.00 0.00 H ATOM 2984 N LYS B 76 -6.452 12.416 12.375 1.00 8.25 N ATOM 2985 CA LYS B 76 -7.624 12.056 11.574 1.00 9.61 C ATOM 2986 C LYS B 76 -7.349 12.184 10.077 1.00 9.23 C ATOM 2987 O LYS B 76 -7.892 11.432 9.266 1.00 9.86 O ATOM 2988 CB LYS B 76 -8.839 12.907 11.982 1.00 9.60 C ATOM 2989 CG LYS B 76 -8.626 14.423 11.929 1.00 11.64 C ATOM 2990 CD LYS B 76 -9.813 15.218 12.473 1.00 11.57 C ATOM 2991 CE LYS B 76 -9.500 16.715 12.484 1.00 15.10 C ATOM 2992 NZ LYS B 76 -10.649 17.561 12.933 1.00 16.76 N ATOM 2993 HA LYS B 76 -7.850 11.009 11.773 1.00 0.00 H ATOM 2994 HB2 LYS B 76 -9.663 12.659 11.313 1.00 0.00 H ATOM 2995 HB3 LYS B 76 -9.109 12.640 13.004 1.00 0.00 H ATOM 2996 HG2 LYS B 76 -7.744 14.670 12.519 1.00 0.00 H ATOM 2997 HG3 LYS B 76 -8.460 14.714 10.892 1.00 0.00 H ATOM 2998 HD2 LYS B 76 -10.684 15.039 11.842 1.00 0.00 H ATOM 2999 HD3 LYS B 76 -10.029 14.890 13.490 1.00 0.00 H ATOM 3000 HE2 LYS B 76 -9.222 17.017 11.474 1.00 0.00 H ATOM 3001 HE3 LYS B 76 -8.660 16.887 13.157 1.00 0.00 H ATOM 3002 HZ1 LYS B 76 -11.456 17.415 12.293 1.00 0.00 H ATOM 3003 HZ2 LYS B 76 -10.919 17.291 13.900 1.00 0.00 H ATOM 3004 HZ3 LYS B 76 -10.368 18.562 12.916 1.00 0.00 H ATOM 3005 H LYS B 76 -6.515 13.239 13.007 1.00 0.00 H ATOM 3006 N SER B 77 -6.503 13.143 9.721 1.00 8.71 N ATOM 3007 CA SER B 77 -6.136 13.373 8.335 1.00 8.12 C ATOM 3008 C SER B 77 -4.639 13.182 8.171 1.00 7.52 C ATOM 3009 O SER B 77 -3.893 13.242 9.144 1.00 7.10 O ATOM 3010 CB SER B 77 -6.540 14.785 7.923 1.00 8.54 C ATOM 3011 OG SER B 77 -7.950 14.908 7.874 1.00 9.86 O ATOM 3012 HA SER B 77 -6.656 12.661 7.695 1.00 0.00 H ATOM 3013 HB2 SER B 77 -6.127 15.003 6.938 1.00 0.00 H ATOM 3014 HB3 SER B 77 -6.143 15.497 8.647 1.00 0.00 H ATOM 3015 HG SER B 77 -8.313 14.265 7.214 1.00 0.00 H ATOM 3016 H SER B 77 -6.090 13.749 10.458 1.00 0.00 H ATOM 3017 N THR B 78 -4.196 12.934 6.946 1.00 6.68 N ATOM 3018 CA THR B 78 -2.769 12.932 6.685 1.00 6.44 C ATOM 3019 C THR B 78 -2.264 14.357 6.863 1.00 6.33 C ATOM 3020 O THR B 78 -3.030 15.329 6.772 1.00 6.64 O ATOM 3021 CB THR B 78 -2.416 12.422 5.274 1.00 6.41 C ATOM 3022 OG1 THR B 78 -3.066 13.237 4.294 1.00 7.30 O ATOM 3023 CG2 THR B 78 -2.830 10.959 5.112 1.00 7.26 C ATOM 3024 HA THR B 78 -2.291 12.246 7.384 1.00 0.00 H ATOM 3025 HB THR B 78 -1.337 12.486 5.133 1.00 0.00 H ATOM 3026 HG1 THR B 78 -2.838 12.908 3.389 1.00 0.00 H ATOM 3027 HG23 THR B 78 -2.326 10.354 5.866 1.00 0.00 H ATOM 3028 HG21 THR B 78 -3.909 10.872 5.237 1.00 0.00 H ATOM 3029 HG22 THR B 78 -2.549 10.611 4.118 1.00 0.00 H ATOM 3030 H THR B 78 -4.868 12.742 6.176 1.00 0.00 H ATOM 3031 N MET B 79 -0.973 14.455 7.143 1.00 5.90 N ATOM 3032 CA MET B 79 -0.302 15.723 7.320 1.00 5.84 C ATOM 3033 C MET B 79 0.929 15.761 6.446 1.00 5.43 C ATOM 3034 O MET B 79 1.520 14.711 6.135 1.00 5.68 O ATOM 3035 CB MET B 79 0.113 15.881 8.775 1.00 5.60 C ATOM 3036 CG MET B 79 -1.063 16.046 9.716 1.00 5.33 C ATOM 3037 SD MET B 79 -0.492 16.530 11.346 1.00 6.61 S ATOM 3038 CE MET B 79 -2.049 17.038 12.070 1.00 6.48 C ATOM 3039 HA MET B 79 -0.977 16.533 7.044 1.00 0.00 H ATOM 3040 HB2 MET B 79 0.675 14.996 9.074 1.00 0.00 H ATOM 3041 HB3 MET B 79 0.751 16.760 8.860 1.00 0.00 H ATOM 3042 HG2 MET B 79 -1.601 15.101 9.789 1.00 0.00 H ATOM 3043 HG3 MET B 79 -1.731 16.814 9.326 1.00 0.00 H ATOM 3044 HE1 MET B 79 -2.471 17.855 11.484 1.00 0.00 H ATOM 3045 HE2 MET B 79 -2.740 16.195 12.071 1.00 0.00 H ATOM 3046 HE3 MET B 79 -1.880 17.373 13.094 1.00 0.00 H ATOM 3047 H MET B 79 -0.418 13.581 7.240 1.00 0.00 H ATOM 3048 N ARG B 80 1.309 16.972 6.045 1.00 5.25 N ATOM 3049 CA ARG B 80 2.555 17.173 5.325 1.00 5.20 C ATOM 3050 C ARG B 80 3.701 17.067 6.315 1.00 4.94 C ATOM 3051 O ARG B 80 3.796 17.855 7.266 1.00 4.88 O ATOM 3052 CB ARG B 80 2.573 18.530 4.632 1.00 5.58 C ATOM 3053 CG ARG B 80 1.529 18.682 3.539 1.00 7.35 C ATOM 3054 CD ARG B 80 1.577 20.080 2.925 1.00 10.39 C ATOM 3055 NE ARG B 80 1.349 21.139 3.910 1.00 14.14 N ATOM 3056 CZ ARG B 80 2.301 21.938 4.403 1.00 15.27 C ATOM 3057 NH1 ARG B 80 1.983 22.864 5.299 1.00 16.65 N ATOM 3058 NH2 ARG B 80 3.567 21.817 4.006 1.00 16.15 N ATOM 3059 HA ARG B 80 2.656 16.411 4.552 1.00 0.00 H ATOM 3060 HB2 ARG B 80 2.398 19.300 5.383 1.00 0.00 H ATOM 3061 HB3 ARG B 80 3.558 18.675 4.188 1.00 0.00 H ATOM 3062 HG2 ARG B 80 1.718 17.944 2.760 1.00 0.00 H ATOM 3063 HG3 ARG B 80 0.540 18.513 3.965 1.00 0.00 H ATOM 3064 HD2 ARG B 80 0.809 20.149 2.154 1.00 0.00 H ATOM 3065 HD3 ARG B 80 2.558 20.229 2.473 1.00 0.00 H ATOM 3066 HE ARG B 80 0.377 21.280 4.251 1.00 0.00 H ATOM 3067 HH12 ARG B 80 2.720 23.488 5.686 1.00 0.00 H ATOM 3068 HH11 ARG B 80 0.997 22.966 5.614 1.00 0.00 H ATOM 3069 HH22 ARG B 80 4.297 22.445 4.398 1.00 0.00 H ATOM 3070 HH21 ARG B 80 3.825 21.094 3.304 1.00 0.00 H ATOM 3071 H ARG B 80 0.702 17.791 6.251 1.00 0.00 H ATOM 3072 N ILE B 81 4.547 16.068 6.098 1.00 5.00 N ATOM 3073 CA ILE B 81 5.699 15.826 6.954 1.00 5.25 C ATOM 3074 C ILE B 81 6.943 15.537 6.108 1.00 5.19 C ATOM 3075 O ILE B 81 6.852 15.273 4.902 1.00 5.01 O ATOM 3076 CB ILE B 81 5.440 14.666 7.965 1.00 5.55 C ATOM 3077 CG1 ILE B 81 5.416 13.308 7.248 1.00 4.92 C ATOM 3078 CG2 ILE B 81 4.143 14.903 8.731 1.00 5.36 C ATOM 3079 CD1 ILE B 81 5.025 12.117 8.128 1.00 6.52 C ATOM 3080 HA ILE B 81 5.871 16.731 7.536 1.00 0.00 H ATOM 3081 HB ILE B 81 6.260 14.649 8.682 1.00 0.00 H ATOM 3082 HG12 ILE B 81 4.701 13.371 6.427 1.00 0.00 H ATOM 3083 HG13 ILE B 81 6.412 13.120 6.847 1.00 0.00 H ATOM 3084 HD11 ILE B 81 5.736 12.024 8.949 1.00 0.00 H ATOM 3085 HD12 ILE B 81 4.024 12.276 8.529 1.00 0.00 H ATOM 3086 HD13 ILE B 81 5.037 11.206 7.530 1.00 0.00 H ATOM 3087 HG21 ILE B 81 4.213 15.842 9.280 1.00 0.00 H ATOM 3088 HG22 ILE B 81 3.311 14.953 8.028 1.00 0.00 H ATOM 3089 HG23 ILE B 81 3.981 14.083 9.431 1.00 0.00 H ATOM 3090 H ILE B 81 4.381 15.436 5.289 1.00 0.00 H ATOM 3091 N THR B 82 8.103 15.626 6.747 1.00 5.33 N ATOM 3092 CA THR B 82 9.351 15.207 6.129 1.00 5.44 C ATOM 3093 C THR B 82 9.967 14.108 6.969 1.00 5.60 C ATOM 3094 O THR B 82 10.168 14.269 8.173 1.00 5.87 O ATOM 3095 CB THR B 82 10.334 16.379 5.956 1.00 5.61 C ATOM 3096 OG1 THR B 82 9.766 17.329 5.047 1.00 5.60 O ATOM 3097 CG2 THR B 82 11.670 15.898 5.396 1.00 5.66 C ATOM 3098 HA THR B 82 9.135 14.833 5.128 1.00 0.00 H ATOM 3099 HB THR B 82 10.509 16.832 6.932 1.00 0.00 H ATOM 3100 HG1 THR B 82 8.908 17.662 5.412 1.00 0.00 H ATOM 3101 HG23 THR B 82 12.110 15.174 6.082 1.00 0.00 H ATOM 3102 HG21 THR B 82 11.508 15.429 4.425 1.00 0.00 H ATOM 3103 HG22 THR B 82 12.342 16.748 5.283 1.00 0.00 H ATOM 3104 H THR B 82 8.120 16.005 7.715 1.00 0.00 H ATOM 3105 N ASP B 83 10.262 12.993 6.308 1.00 5.51 N ATOM 3106 CA ASP B 83 10.917 11.862 6.937 1.00 5.68 C ATOM 3107 C ASP B 83 12.416 12.003 6.715 1.00 5.47 C ATOM 3108 O ASP B 83 12.866 12.183 5.580 1.00 5.05 O ATOM 3109 CB ASP B 83 10.387 10.568 6.316 1.00 5.84 C ATOM 3110 CG ASP B 83 11.039 9.333 6.886 1.00 6.89 C ATOM 3111 OD1 ASP B 83 12.106 8.934 6.383 1.00 7.71 O ATOM 3112 OD2 ASP B 83 10.469 8.741 7.823 1.00 8.46 O ATOM 3113 HA ASP B 83 10.714 11.833 8.008 1.00 0.00 H ATOM 3114 HB2 ASP B 83 9.314 10.510 6.496 1.00 0.00 H ATOM 3115 HB3 ASP B 83 10.573 10.596 5.242 1.00 0.00 H ATOM 3116 H ASP B 83 10.013 12.929 5.300 1.00 0.00 H ATOM 3117 N CYS B 84 13.182 11.953 7.805 1.00 5.59 N ATOM 3118 CA CYS B 84 14.637 12.028 7.734 1.00 6.41 C ATOM 3119 C CYS B 84 15.244 10.725 8.234 1.00 7.29 C ATOM 3120 O CYS B 84 15.041 10.355 9.393 1.00 7.26 O ATOM 3121 CB CYS B 84 15.164 13.197 8.580 1.00 5.95 C ATOM 3122 SG CYS B 84 14.564 14.823 8.099 1.00 5.22 S ATOM 3123 HA CYS B 84 14.923 12.192 6.695 1.00 0.00 H ATOM 3124 HB2 CYS B 84 16.251 13.203 8.506 1.00 0.00 H ATOM 3125 HB3 CYS B 84 14.872 13.022 9.616 1.00 0.00 H ATOM 3126 H CYS B 84 12.728 11.857 8.736 1.00 0.00 H ATOM 3127 N ARG B 85 15.969 10.033 7.355 1.00 8.90 N ATOM 3128 CA ARG B 85 16.629 8.767 7.690 1.00 10.68 C ATOM 3129 C ARG B 85 18.109 8.865 7.424 1.00 11.52 C ATOM 3130 O ARG B 85 18.525 9.319 6.360 1.00 10.91 O ATOM 3131 CB ARG B 85 16.088 7.621 6.833 1.00 10.93 C ATOM 3132 CG ARG B 85 14.607 7.471 6.865 1.00 12.18 C ATOM 3133 CD ARG B 85 14.157 6.499 7.928 1.00 14.02 C ATOM 3134 NE ARG B 85 12.753 6.709 8.249 1.00 14.55 N ATOM 3135 CZ ARG B 85 12.030 5.917 9.031 1.00 15.00 C ATOM 3136 NH1 ARG B 85 10.759 6.213 9.262 1.00 16.30 N ATOM 3137 NH2 ARG B 85 12.569 4.827 9.573 1.00 15.54 N ATOM 3138 HA ARG B 85 16.434 8.571 8.744 1.00 0.00 H ATOM 3139 HB2 ARG B 85 16.390 7.796 5.800 1.00 0.00 H ATOM 3140 HB3 ARG B 85 16.532 6.691 7.188 1.00 0.00 H ATOM 3141 HG2 ARG B 85 14.159 8.444 7.066 1.00 0.00 H ATOM 3142 HG3 ARG B 85 14.269 7.111 5.893 1.00 0.00 H ATOM 3143 HD2 ARG B 85 14.757 6.646 8.826 1.00 0.00 H ATOM 3144 HD3 ARG B 85 14.294 5.481 7.564 1.00 0.00 H ATOM 3145 HE ARG B 85 12.282 7.539 7.836 1.00 0.00 H ATOM 3146 HH12 ARG B 85 10.185 5.598 9.873 1.00 0.00 H ATOM 3147 HH11 ARG B 85 10.336 7.060 8.832 1.00 0.00 H ATOM 3148 HH22 ARG B 85 11.995 4.212 10.185 1.00 0.00 H ATOM 3149 HH21 ARG B 85 13.564 4.590 9.385 1.00 0.00 H ATOM 3150 H ARG B 85 16.071 10.407 6.390 1.00 0.00 H ATOM 3151 N GLU B 86 18.906 8.407 8.378 1.00 13.30 N ATOM 3152 CA GLU B 86 20.340 8.379 8.195 1.00 15.80 C ATOM 3153 C GLU B 86 20.686 7.490 7.006 1.00 17.62 C ATOM 3154 O GLU B 86 20.145 6.389 6.868 1.00 17.82 O ATOM 3155 CB GLU B 86 21.014 7.861 9.456 1.00 15.44 C ATOM 3156 CG GLU B 86 22.357 8.473 9.679 1.00 15.76 C ATOM 3157 CD GLU B 86 23.073 7.911 10.881 1.00 14.19 C ATOM 3158 OE1 GLU B 86 22.453 7.152 11.661 1.00 14.83 O ATOM 3159 OE2 GLU B 86 24.263 8.244 11.044 1.00 14.20 O ATOM 3160 HA GLU B 86 20.699 9.389 7.999 1.00 0.00 H ATOM 3161 HB2 GLU B 86 20.379 8.090 10.312 1.00 0.00 H ATOM 3162 HB3 GLU B 86 21.132 6.781 9.371 1.00 0.00 H ATOM 3163 HG2 GLU B 86 22.970 8.295 8.796 1.00 0.00 H ATOM 3164 HG3 GLU B 86 22.230 9.546 9.821 1.00 0.00 H ATOM 3165 H GLU B 86 18.495 8.063 9.269 1.00 0.00 H ATOM 3166 N THR B 87 21.567 7.982 6.139 1.00 20.34 N ATOM 3167 CA THR B 87 22.000 7.213 4.969 1.00 22.62 C ATOM 3168 C THR B 87 23.012 6.144 5.369 1.00 23.47 C ATOM 3169 O THR B 87 23.577 6.188 6.471 1.00 24.24 O ATOM 3170 CB THR B 87 22.630 8.099 3.866 1.00 22.95 C ATOM 3171 OG1 THR B 87 23.863 8.662 4.339 1.00 24.28 O ATOM 3172 CG2 THR B 87 21.679 9.202 3.426 1.00 23.74 C ATOM 3173 HA THR B 87 21.099 6.752 4.564 1.00 0.00 H ATOM 3174 HB THR B 87 22.830 7.470 2.998 1.00 0.00 H ATOM 3175 HG1 THR B 87 23.686 9.214 5.141 1.00 0.00 H ATOM 3176 HG23 THR B 87 20.749 8.758 3.070 1.00 0.00 H ATOM 3177 HG21 THR B 87 21.470 9.858 4.271 1.00 0.00 H ATOM 3178 HG22 THR B 87 22.139 9.777 2.623 1.00 0.00 H ATOM 3179 H THR B 87 21.957 8.933 6.295 1.00 0.00 H ATOM 3180 N GLY B 88 23.241 5.190 4.467 1.00 24.27 N ATOM 3181 CA GLY B 88 24.205 4.117 4.688 1.00 24.71 C ATOM 3182 C GLY B 88 25.637 4.604 4.824 1.00 25.05 C ATOM 3183 O GLY B 88 26.456 3.961 5.482 1.00 25.35 O ATOM 3184 HA3 GLY B 88 24.154 3.428 3.845 1.00 0.00 H ATOM 3185 HA2 GLY B 88 23.931 3.591 5.602 1.00 0.00 H ATOM 3186 H GLY B 88 22.713 5.211 3.572 1.00 0.00 H ATOM 3187 N SER B 89 25.931 5.744 4.201 1.00 25.32 N ATOM 3188 CA SER B 89 27.275 6.320 4.227 1.00 25.80 C ATOM 3189 C SER B 89 27.497 7.244 5.422 1.00 25.71 C ATOM 3190 O SER B 89 28.640 7.551 5.769 1.00 25.83 O ATOM 3191 CB SER B 89 27.572 7.061 2.918 1.00 25.79 C ATOM 3192 OG SER B 89 27.782 6.152 1.852 1.00 26.49 O ATOM 3193 HA SER B 89 27.970 5.487 4.334 1.00 0.00 H ATOM 3194 HB2 SER B 89 28.467 7.669 3.049 1.00 0.00 H ATOM 3195 HB3 SER B 89 26.728 7.706 2.675 1.00 0.00 H ATOM 3196 HG SER B 89 27.971 6.657 1.022 1.00 0.00 H ATOM 3197 H SER B 89 25.181 6.240 3.679 1.00 0.00 H ATOM 3198 N SER B 90 26.403 7.681 6.044 1.00 25.86 N ATOM 3199 CA SER B 90 26.469 8.556 7.212 1.00 25.93 C ATOM 3200 C SER B 90 27.292 7.957 8.347 1.00 26.11 C ATOM 3201 O SER B 90 27.092 6.804 8.739 1.00 26.10 O ATOM 3202 CB SER B 90 25.070 8.883 7.721 1.00 25.97 C ATOM 3203 OG SER B 90 25.139 9.708 8.870 1.00 25.93 O ATOM 3204 HA SER B 90 26.966 9.469 6.884 1.00 0.00 H ATOM 3205 HB2 SER B 90 24.555 7.957 7.975 1.00 0.00 H ATOM 3206 HB3 SER B 90 24.516 9.403 6.939 1.00 0.00 H ATOM 3207 HG SER B 90 25.639 9.237 9.583 1.00 0.00 H ATOM 3208 H SER B 90 25.471 7.390 5.686 1.00 0.00 H ATOM 3209 N LYS B 91 28.219 8.758 8.862 1.00 26.08 N ATOM 3210 CA LYS B 91 29.061 8.366 9.980 1.00 26.22 C ATOM 3211 C LYS B 91 29.388 9.622 10.780 1.00 26.10 C ATOM 3212 O LYS B 91 29.989 10.560 10.251 1.00 26.17 O ATOM 3213 CB LYS B 91 30.342 7.689 9.475 1.00 26.16 C ATOM 3214 CG LYS B 91 31.162 6.974 10.546 1.00 26.36 C ATOM 3215 CD LYS B 91 32.487 6.469 9.979 1.00 26.57 C ATOM 3216 CE LYS B 91 33.435 5.998 11.076 1.00 27.36 C ATOM 3217 NZ LYS B 91 33.100 4.640 11.598 1.00 27.65 N ATOM 3218 HA LYS B 91 28.542 7.646 10.613 1.00 0.00 H ATOM 3219 HB2 LYS B 91 30.061 6.956 8.719 1.00 0.00 H ATOM 3220 HB3 LYS B 91 30.972 8.454 9.021 1.00 0.00 H ATOM 3221 HG2 LYS B 91 31.365 7.668 11.362 1.00 0.00 H ATOM 3222 HG3 LYS B 91 30.591 6.127 10.925 1.00 0.00 H ATOM 3223 HD2 LYS B 91 32.287 5.636 9.305 1.00 0.00 H ATOM 3224 HD3 LYS B 91 32.964 7.277 9.425 1.00 0.00 H ATOM 3225 HE2 LYS B 91 33.390 6.708 11.902 1.00 0.00 H ATOM 3226 HE3 LYS B 91 34.448 5.975 10.673 1.00 0.00 H ATOM 3227 HZ1 LYS B 91 32.139 4.650 11.995 1.00 0.00 H ATOM 3228 HZ2 LYS B 91 33.149 3.950 10.822 1.00 0.00 H ATOM 3229 HZ3 LYS B 91 33.780 4.378 12.340 1.00 0.00 H ATOM 3230 H LYS B 91 28.347 9.704 8.448 1.00 0.00 H ATOM 3231 N TYR B 92 28.977 9.637 12.048 1.00 25.89 N ATOM 3232 CA TYR B 92 29.271 10.751 12.952 1.00 25.74 C ATOM 3233 C TYR B 92 30.775 11.073 12.936 1.00 25.49 C ATOM 3234 O TYR B 92 31.600 10.155 12.947 1.00 25.67 O ATOM 3235 CB TYR B 92 28.799 10.422 14.375 1.00 25.73 C ATOM 3236 CG TYR B 92 29.005 11.550 15.363 1.00 25.91 C ATOM 3237 CD1 TYR B 92 28.059 12.566 15.496 1.00 25.81 C ATOM 3238 CD2 TYR B 92 30.156 11.613 16.151 1.00 26.04 C ATOM 3239 CE1 TYR B 92 28.248 13.610 16.394 1.00 26.03 C ATOM 3240 CE2 TYR B 92 30.355 12.657 17.053 1.00 26.31 C ATOM 3241 CZ TYR B 92 29.394 13.649 17.169 1.00 26.02 C ATOM 3242 OH TYR B 92 29.579 14.682 18.057 1.00 26.57 O ATOM 3243 HA TYR B 92 28.730 11.633 12.607 1.00 0.00 H ATOM 3244 HB3 TYR B 92 29.351 9.551 14.728 1.00 0.00 H ATOM 3245 HB2 TYR B 92 27.735 10.186 14.339 1.00 0.00 H ATOM 3246 HD2 TYR B 92 30.912 10.833 16.059 1.00 0.00 H ATOM 3247 HE2 TYR B 92 31.258 12.693 17.662 1.00 0.00 H ATOM 3248 HE1 TYR B 92 27.497 14.394 16.487 1.00 0.00 H ATOM 3249 HD1 TYR B 92 27.156 12.541 14.886 1.00 0.00 H ATOM 3250 HH TYR B 92 28.804 15.297 18.013 1.00 0.00 H ATOM 3251 H TYR B 92 28.429 8.830 12.408 1.00 0.00 H ATOM 3252 N PRO B 93 31.141 12.374 12.916 1.00 25.22 N ATOM 3253 CA PRO B 93 30.299 13.571 13.006 1.00 24.88 C ATOM 3254 C PRO B 93 29.777 14.097 11.667 1.00 24.51 C ATOM 3255 O PRO B 93 29.281 15.224 11.605 1.00 24.75 O ATOM 3256 CB PRO B 93 31.241 14.595 13.644 1.00 25.00 C ATOM 3257 CG PRO B 93 32.599 14.212 13.139 1.00 25.09 C ATOM 3258 CD PRO B 93 32.568 12.734 12.800 1.00 25.19 C ATOM 3259 HA PRO B 93 29.387 13.360 13.564 1.00 0.00 H ATOM 3260 HD3 PRO B 93 32.931 12.560 11.787 1.00 0.00 H ATOM 3261 HD2 PRO B 93 33.171 12.161 13.504 1.00 0.00 H ATOM 3262 HG3 PRO B 93 33.348 14.401 13.908 1.00 0.00 H ATOM 3263 HG2 PRO B 93 32.841 14.792 12.248 1.00 0.00 H ATOM 3264 HB2 PRO B 93 30.983 15.606 13.330 1.00 0.00 H ATOM 3265 HB3 PRO B 93 31.201 14.532 14.731 1.00 0.00 H ATOM 3266 N ASN B 94 29.893 13.296 10.613 1.00 23.84 N ATOM 3267 CA ASN B 94 29.332 13.654 9.312 1.00 23.07 C ATOM 3268 C ASN B 94 27.991 12.951 9.105 1.00 22.37 C ATOM 3269 O ASN B 94 27.907 11.921 8.427 1.00 22.65 O ATOM 3270 CB ASN B 94 30.318 13.326 8.185 1.00 23.15 C ATOM 3271 CG ASN B 94 31.654 14.029 8.356 1.00 23.34 C ATOM 3272 OD1 ASN B 94 32.649 13.409 8.732 1.00 23.83 O ATOM 3273 ND2 ASN B 94 31.679 15.332 8.092 1.00 23.57 N ATOM 3274 HA ASN B 94 29.157 14.730 9.289 1.00 0.00 H ATOM 3275 HB2 ASN B 94 30.489 12.250 8.172 1.00 0.00 H ATOM 3276 HB3 ASN B 94 29.880 13.635 7.236 1.00 0.00 H ATOM 3277 HD22 ASN B 94 30.814 15.815 7.777 1.00 0.00 H ATOM 3278 HD21 ASN B 94 32.564 15.868 8.201 1.00 0.00 H ATOM 3279 H ASN B 94 30.396 12.392 10.717 1.00 0.00 H ATOM 3280 N CYS B 95 26.949 13.509 9.721 1.00 21.09 N ATOM 3281 CA CYS B 95 25.609 12.935 9.674 1.00 19.80 C ATOM 3282 C CYS B 95 24.917 13.269 8.366 1.00 18.58 C ATOM 3283 O CYS B 95 24.713 14.442 8.047 1.00 19.28 O ATOM 3284 CB CYS B 95 24.765 13.449 10.838 1.00 19.52 C ATOM 3285 SG CYS B 95 25.454 13.113 12.456 1.00 19.89 S ATOM 3286 HA CYS B 95 25.712 11.853 9.751 1.00 0.00 H ATOM 3287 HB2 CYS B 95 23.783 12.979 10.781 1.00 0.00 H ATOM 3288 HB3 CYS B 95 24.657 14.528 10.731 1.00 0.00 H ATOM 3289 H CYS B 95 27.097 14.388 10.256 1.00 0.00 H ATOM 3290 N ALA B 96 24.550 12.232 7.620 1.00 16.67 N ATOM 3291 CA ALA B 96 23.901 12.391 6.322 1.00 14.73 C ATOM 3292 C ALA B 96 22.533 11.723 6.326 1.00 13.26 C ATOM 3293 O ALA B 96 22.381 10.595 6.812 1.00 13.07 O ATOM 3294 CB ALA B 96 24.773 11.814 5.218 1.00 14.86 C ATOM 3295 HA ALA B 96 23.764 13.455 6.132 1.00 0.00 H ATOM 3296 HB1 ALA B 96 25.730 12.335 5.203 1.00 0.00 H ATOM 3297 HB2 ALA B 96 24.939 10.753 5.405 1.00 0.00 H ATOM 3298 HB3 ALA B 96 24.273 11.942 4.258 1.00 0.00 H ATOM 3299 H ALA B 96 24.732 11.271 7.974 1.00 0.00 H ATOM 3300 N TYR B 97 21.547 12.425 5.774 1.00 11.17 N ATOM 3301 CA TYR B 97 20.160 11.975 5.789 1.00 9.52 C ATOM 3302 C TYR B 97 19.528 11.967 4.410 1.00 9.09 C ATOM 3303 O TYR B 97 19.786 12.851 3.591 1.00 8.87 O ATOM 3304 CB TYR B 97 19.320 12.888 6.692 1.00 9.02 C ATOM 3305 CG TYR B 97 19.714 12.801 8.142 1.00 7.70 C ATOM 3306 CD1 TYR B 97 19.145 11.844 8.974 1.00 7.61 C ATOM 3307 CD2 TYR B 97 20.673 13.658 8.676 1.00 7.31 C ATOM 3308 CE1 TYR B 97 19.514 11.743 10.297 1.00 6.68 C ATOM 3309 CE2 TYR B 97 21.061 13.561 10.003 1.00 6.15 C ATOM 3310 CZ TYR B 97 20.477 12.599 10.811 1.00 7.93 C ATOM 3311 OH TYR B 97 20.839 12.495 12.138 1.00 7.46 O ATOM 3312 HA TYR B 97 20.175 10.952 6.166 1.00 0.00 H ATOM 3313 HB3 TYR B 97 18.272 12.602 6.598 1.00 0.00 H ATOM 3314 HB2 TYR B 97 19.445 13.918 6.358 1.00 0.00 H ATOM 3315 HD2 TYR B 97 21.126 14.418 8.040 1.00 0.00 H ATOM 3316 HE2 TYR B 97 21.817 14.234 10.407 1.00 0.00 H ATOM 3317 HE1 TYR B 97 19.051 10.993 10.938 1.00 0.00 H ATOM 3318 HD1 TYR B 97 18.395 11.163 8.573 1.00 0.00 H ATOM 3319 HH TYR B 97 20.327 11.761 12.562 1.00 0.00 H ATOM 3320 H TYR B 97 21.774 13.330 5.314 1.00 0.00 H ATOM 3321 N LYS B 98 18.681 10.969 4.180 1.00 8.30 N ATOM 3322 CA LYS B 98 17.742 10.992 3.069 1.00 7.73 C ATOM 3323 C LYS B 98 16.486 11.743 3.498 1.00 7.08 C ATOM 3324 O LYS B 98 15.868 11.413 4.511 1.00 6.74 O ATOM 3325 CB LYS B 98 17.379 9.568 2.633 1.00 8.01 C ATOM 3326 CG LYS B 98 16.119 9.458 1.764 1.00 9.26 C ATOM 3327 CD LYS B 98 16.339 10.027 0.374 1.00 11.39 C ATOM 3328 CE LYS B 98 15.071 9.951 -0.463 1.00 12.64 C ATOM 3329 NZ LYS B 98 15.386 10.301 -1.881 1.00 14.55 N ATOM 3330 HA LYS B 98 18.205 11.496 2.221 1.00 0.00 H ATOM 3331 HB2 LYS B 98 18.218 9.163 2.066 1.00 0.00 H ATOM 3332 HB3 LYS B 98 17.225 8.968 3.530 1.00 0.00 H ATOM 3333 HG2 LYS B 98 15.842 8.407 1.675 1.00 0.00 H ATOM 3334 HG3 LYS B 98 15.309 10.006 2.246 1.00 0.00 H ATOM 3335 HD2 LYS B 98 16.645 11.070 0.461 1.00 0.00 H ATOM 3336 HD3 LYS B 98 17.126 9.459 -0.122 1.00 0.00 H ATOM 3337 HE2 LYS B 98 14.334 10.652 -0.071 1.00 0.00 H ATOM 3338 HE3 LYS B 98 14.667 8.939 -0.420 1.00 0.00 H ATOM 3339 HZ1 LYS B 98 15.770 11.266 -1.921 1.00 0.00 H ATOM 3340 HZ2 LYS B 98 16.088 9.631 -2.254 1.00 0.00 H ATOM 3341 HZ3 LYS B 98 14.518 10.248 -2.451 1.00 0.00 H ATOM 3342 H LYS B 98 18.690 10.145 4.815 1.00 0.00 H ATOM 3343 N THR B 99 16.123 12.750 2.708 1.00 6.21 N ATOM 3344 CA THR B 99 14.923 13.547 2.919 1.00 5.98 C ATOM 3345 C THR B 99 13.796 12.978 2.063 1.00 6.05 C ATOM 3346 O THR B 99 13.959 12.825 0.854 1.00 5.59 O ATOM 3347 CB THR B 99 15.185 15.009 2.492 1.00 5.96 C ATOM 3348 OG1 THR B 99 16.206 15.575 3.326 1.00 5.93 O ATOM 3349 CG2 THR B 99 13.920 15.857 2.585 1.00 5.34 C ATOM 3350 HA THR B 99 14.649 13.520 3.974 1.00 0.00 H ATOM 3351 HB THR B 99 15.510 15.004 1.452 1.00 0.00 H ATOM 3352 HG1 THR B 99 17.039 15.048 3.230 1.00 0.00 H ATOM 3353 HG23 THR B 99 13.147 15.424 1.950 1.00 0.00 H ATOM 3354 HG21 THR B 99 13.574 15.879 3.618 1.00 0.00 H ATOM 3355 HG22 THR B 99 14.139 16.872 2.252 1.00 0.00 H ATOM 3356 H THR B 99 16.730 12.980 1.895 1.00 0.00 H ATOM 3357 N THR B 100 12.668 12.649 2.688 1.00 5.83 N ATOM 3358 CA THR B 100 11.489 12.230 1.930 1.00 6.11 C ATOM 3359 C THR B 100 10.300 13.100 2.297 1.00 6.53 C ATOM 3360 O THR B 100 9.934 13.195 3.470 1.00 6.47 O ATOM 3361 CB THR B 100 11.109 10.753 2.177 1.00 6.08 C ATOM 3362 OG1 THR B 100 12.256 9.921 1.984 1.00 5.78 O ATOM 3363 CG2 THR B 100 10.004 10.320 1.201 1.00 6.11 C ATOM 3364 HA THR B 100 11.745 12.341 0.876 1.00 0.00 H ATOM 3365 HB THR B 100 10.747 10.651 3.200 1.00 0.00 H ATOM 3366 HG1 THR B 100 12.967 10.188 2.619 1.00 0.00 H ATOM 3367 HG23 THR B 100 9.127 10.951 1.344 1.00 0.00 H ATOM 3368 HG21 THR B 100 10.364 10.423 0.177 1.00 0.00 H ATOM 3369 HG22 THR B 100 9.740 9.280 1.392 1.00 0.00 H ATOM 3370 H THR B 100 12.624 12.690 3.726 1.00 0.00 H ATOM 3371 N GLN B 101 9.721 13.749 1.292 1.00 7.59 N ATOM 3372 CA GLN B 101 8.478 14.492 1.477 1.00 8.24 C ATOM 3373 C GLN B 101 7.355 13.482 1.500 1.00 8.47 C ATOM 3374 O GLN B 101 7.214 12.669 0.577 1.00 8.31 O ATOM 3375 CB GLN B 101 8.259 15.485 0.337 1.00 9.06 C ATOM 3376 CG GLN B 101 9.319 16.561 0.258 1.00 11.54 C ATOM 3377 CD GLN B 101 9.162 17.436 -0.966 1.00 14.40 C ATOM 3378 OE1 GLN B 101 8.111 17.436 -1.621 1.00 17.04 O ATOM 3379 NE2 GLN B 101 10.207 18.188 -1.288 1.00 15.94 N ATOM 3380 HA GLN B 101 8.516 15.063 2.405 1.00 0.00 H ATOM 3381 HB2 GLN B 101 8.256 14.935 -0.604 1.00 0.00 H ATOM 3382 HB3 GLN B 101 7.291 15.965 0.479 1.00 0.00 H ATOM 3383 HG2 GLN B 101 9.250 17.187 1.148 1.00 0.00 H ATOM 3384 HG3 GLN B 101 10.299 16.085 0.225 1.00 0.00 H ATOM 3385 HE22 GLN B 101 11.070 18.155 -0.708 1.00 0.00 H ATOM 3386 HE21 GLN B 101 10.163 18.810 -2.120 1.00 0.00 H ATOM 3387 H GLN B 101 10.164 13.727 0.351 1.00 0.00 H ATOM 3388 N VAL B 102 6.572 13.505 2.570 1.00 8.18 N ATOM 3389 CA VAL B 102 5.485 12.541 2.706 1.00 8.44 C ATOM 3390 C VAL B 102 4.196 13.169 3.221 1.00 7.86 C ATOM 3391 O VAL B 102 4.215 14.206 3.879 1.00 7.29 O ATOM 3392 CB VAL B 102 5.914 11.209 3.469 1.00 9.65 C ATOM 3393 CG1 VAL B 102 7.418 11.136 3.797 1.00 9.44 C ATOM 3394 CG2 VAL B 102 5.055 10.901 4.674 1.00 9.75 C ATOM 3395 HA VAL B 102 5.250 12.210 1.695 1.00 0.00 H ATOM 3396 HB VAL B 102 5.726 10.415 2.747 1.00 0.00 H ATOM 3397 HG11 VAL B 102 7.993 11.179 2.872 1.00 0.00 H ATOM 3398 HG12 VAL B 102 7.691 11.977 4.435 1.00 0.00 H ATOM 3399 HG13 VAL B 102 7.631 10.201 4.315 1.00 0.00 H ATOM 3400 HG21 VAL B 102 5.123 11.723 5.387 1.00 0.00 H ATOM 3401 HG22 VAL B 102 4.019 10.778 4.358 1.00 0.00 H ATOM 3402 HG23 VAL B 102 5.405 9.981 5.143 1.00 0.00 H ATOM 3403 H VAL B 102 6.733 14.213 3.315 1.00 0.00 H ATOM 3404 N GLU B 103 3.075 12.558 2.860 1.00 6.90 N ATOM 3405 CA GLU B 103 1.802 12.904 3.458 1.00 7.51 C ATOM 3406 C GLU B 103 1.263 11.631 4.075 1.00 7.23 C ATOM 3407 O GLU B 103 0.839 10.718 3.376 1.00 7.23 O ATOM 3408 CB GLU B 103 0.859 13.539 2.434 1.00 7.79 C ATOM 3409 CG GLU B 103 1.318 14.951 2.077 1.00 10.15 C ATOM 3410 CD GLU B 103 0.427 15.669 1.097 1.00 12.95 C ATOM 3411 OE1 GLU B 103 -0.803 15.723 1.313 1.00 13.07 O ATOM 3412 OE2 GLU B 103 0.982 16.216 0.123 1.00 15.02 O ATOM 3413 HA GLU B 103 1.909 13.665 4.231 1.00 0.00 H ATOM 3414 HB2 GLU B 103 0.847 12.928 1.532 1.00 0.00 H ATOM 3415 HB3 GLU B 103 -0.146 13.585 2.853 1.00 0.00 H ATOM 3416 HG2 GLU B 103 1.358 15.538 2.994 1.00 0.00 H ATOM 3417 HG3 GLU B 103 2.317 14.886 1.645 1.00 0.00 H ATOM 3418 H GLU B 103 3.111 11.815 2.133 1.00 0.00 H ATOM 3419 N LYS B 104 1.355 11.563 5.400 1.00 6.86 N ATOM 3420 CA LYS B 104 0.927 10.391 6.149 1.00 7.47 C ATOM 3421 C LYS B 104 0.224 10.859 7.406 1.00 7.24 C ATOM 3422 O LYS B 104 0.324 12.029 7.787 1.00 7.27 O ATOM 3423 CB LYS B 104 2.127 9.513 6.529 1.00 7.32 C ATOM 3424 CG LYS B 104 2.618 8.584 5.414 1.00 8.29 C ATOM 3425 CD LYS B 104 3.724 7.653 5.920 1.00 8.87 C ATOM 3426 CE LYS B 104 4.313 6.815 4.791 1.00 11.69 C ATOM 3427 NZ LYS B 104 5.559 6.105 5.225 1.00 13.64 N ATOM 3428 HA LYS B 104 0.255 9.796 5.531 1.00 0.00 H ATOM 3429 HB2 LYS B 104 2.951 10.168 6.813 1.00 0.00 H ATOM 3430 HB3 LYS B 104 1.842 8.898 7.383 1.00 0.00 H ATOM 3431 HG2 LYS B 104 1.782 7.983 5.057 1.00 0.00 H ATOM 3432 HG3 LYS B 104 3.007 9.187 4.593 1.00 0.00 H ATOM 3433 HD2 LYS B 104 4.517 8.254 6.365 1.00 0.00 H ATOM 3434 HD3 LYS B 104 3.308 6.987 6.675 1.00 0.00 H ATOM 3435 HE2 LYS B 104 4.552 7.469 3.952 1.00 0.00 H ATOM 3436 HE3 LYS B 104 3.576 6.076 4.476 1.00 0.00 H ATOM 3437 HZ1 LYS B 104 6.270 6.804 5.521 1.00 0.00 H ATOM 3438 HZ2 LYS B 104 5.338 5.475 6.022 1.00 0.00 H ATOM 3439 HZ3 LYS B 104 5.932 5.545 4.432 1.00 0.00 H ATOM 3440 H LYS B 104 1.746 12.375 5.919 1.00 0.00 H ATOM 3441 N HIS B 105 -0.508 9.951 8.039 1.00 7.64 N ATOM 3442 CA HIS B 105 -1.062 10.248 9.353 1.00 7.71 C ATOM 3443 C HIS B 105 0.078 10.166 10.333 1.00 7.73 C ATOM 3444 O HIS B 105 0.967 9.324 10.196 1.00 8.46 O ATOM 3445 CB HIS B 105 -2.138 9.240 9.748 1.00 7.82 C ATOM 3446 CG HIS B 105 -3.092 8.919 8.649 1.00 9.47 C ATOM 3447 ND1 HIS B 105 -4.326 9.518 8.535 1.00 10.90 N ATOM 3448 CD2 HIS B 105 -2.983 8.070 7.600 1.00 8.48 C ATOM 3449 CE1 HIS B 105 -4.941 9.046 7.464 1.00 8.91 C ATOM 3450 NE2 HIS B 105 -4.146 8.171 6.877 1.00 11.63 N ATOM 3451 HA HIS B 105 -1.526 11.234 9.345 1.00 0.00 H ATOM 3452 HB2 HIS B 105 -1.648 8.317 10.059 1.00 0.00 H ATOM 3453 HB3 HIS B 105 -2.703 9.650 10.585 1.00 0.00 H ATOM 3454 HD2 HIS B 105 -2.132 7.427 7.372 1.00 0.00 H ATOM 3455 HE1 HIS B 105 -5.936 9.331 7.123 1.00 0.00 H ATOM 3456 H HIS B 105 -0.686 9.027 7.597 1.00 0.00 H ATOM 3457 N ILE B 106 0.069 11.056 11.313 1.00 6.99 N ATOM 3458 CA ILE B 106 1.080 10.995 12.358 1.00 6.36 C ATOM 3459 C ILE B 106 0.479 10.372 13.603 1.00 6.32 C ATOM 3460 O ILE B 106 -0.718 10.516 13.867 1.00 5.37 O ATOM 3461 CB ILE B 106 1.718 12.381 12.662 1.00 6.50 C ATOM 3462 CG1 ILE B 106 0.718 13.328 13.339 1.00 5.81 C ATOM 3463 CG2 ILE B 106 2.280 13.007 11.381 1.00 6.76 C ATOM 3464 CD1 ILE B 106 1.357 14.606 13.849 1.00 6.53 C ATOM 3465 HA ILE B 106 1.897 10.369 12.000 1.00 0.00 H ATOM 3466 HB ILE B 106 2.540 12.222 13.360 1.00 0.00 H ATOM 3467 HG12 ILE B 106 -0.054 13.591 12.616 1.00 0.00 H ATOM 3468 HG13 ILE B 106 0.263 12.807 14.182 1.00 0.00 H ATOM 3469 HD11 ILE B 106 2.126 14.359 14.581 1.00 0.00 H ATOM 3470 HD12 ILE B 106 1.808 15.143 13.015 1.00 0.00 H ATOM 3471 HD13 ILE B 106 0.595 15.230 14.316 1.00 0.00 H ATOM 3472 HG21 ILE B 106 3.042 12.350 10.961 1.00 0.00 H ATOM 3473 HG22 ILE B 106 1.474 13.139 10.659 1.00 0.00 H ATOM 3474 HG23 ILE B 106 2.722 13.976 11.615 1.00 0.00 H ATOM 3475 H ILE B 106 -0.660 11.798 11.336 1.00 0.00 H ATOM 3476 N ILE B 107 1.312 9.643 14.336 1.00 6.29 N ATOM 3477 CA ILE B 107 0.938 9.122 15.646 1.00 6.90 C ATOM 3478 C ILE B 107 1.893 9.776 16.623 1.00 7.00 C ATOM 3479 O ILE B 107 3.117 9.699 16.449 1.00 7.02 O ATOM 3480 CB ILE B 107 1.071 7.584 15.732 1.00 6.60 C ATOM 3481 CG1 ILE B 107 0.164 6.901 14.694 1.00 7.29 C ATOM 3482 CG2 ILE B 107 0.751 7.103 17.160 1.00 7.22 C ATOM 3483 CD1 ILE B 107 0.349 5.391 14.582 1.00 7.16 C ATOM 3484 HA ILE B 107 -0.108 9.343 15.858 1.00 0.00 H ATOM 3485 HB ILE B 107 2.100 7.306 15.503 1.00 0.00 H ATOM 3486 HG12 ILE B 107 -0.873 7.097 14.967 1.00 0.00 H ATOM 3487 HG13 ILE B 107 0.371 7.342 13.719 1.00 0.00 H ATOM 3488 HD11 ILE B 107 1.378 5.173 14.295 1.00 0.00 H ATOM 3489 HD12 ILE B 107 0.133 4.927 15.544 1.00 0.00 H ATOM 3490 HD13 ILE B 107 -0.331 4.998 13.827 1.00 0.00 H ATOM 3491 HG21 ILE B 107 1.448 7.562 17.861 1.00 0.00 H ATOM 3492 HG22 ILE B 107 -0.269 7.389 17.418 1.00 0.00 H ATOM 3493 HG23 ILE B 107 0.848 6.018 17.207 1.00 0.00 H ATOM 3494 H ILE B 107 2.261 9.437 13.964 1.00 0.00 H ATOM 3495 N VAL B 108 1.332 10.439 17.631 1.00 7.10 N ATOM 3496 CA VAL B 108 2.135 11.095 18.655 1.00 7.40 C ATOM 3497 C VAL B 108 1.688 10.652 20.033 1.00 7.27 C ATOM 3498 O VAL B 108 0.515 10.331 20.235 1.00 7.90 O ATOM 3499 CB VAL B 108 2.058 12.648 18.566 1.00 7.11 C ATOM 3500 CG1 VAL B 108 2.655 13.139 17.264 1.00 7.98 C ATOM 3501 CG2 VAL B 108 0.611 13.156 18.713 1.00 8.17 C ATOM 3502 HA VAL B 108 3.170 10.801 18.482 1.00 0.00 H ATOM 3503 HB VAL B 108 2.639 13.050 19.396 1.00 0.00 H ATOM 3504 HG11 VAL B 108 3.700 12.833 17.207 1.00 0.00 H ATOM 3505 HG12 VAL B 108 2.103 12.710 16.428 1.00 0.00 H ATOM 3506 HG13 VAL B 108 2.590 14.226 17.223 1.00 0.00 H ATOM 3507 HG21 VAL B 108 -0.003 12.735 17.917 1.00 0.00 H ATOM 3508 HG22 VAL B 108 0.215 12.847 19.681 1.00 0.00 H ATOM 3509 HG23 VAL B 108 0.601 14.244 18.645 1.00 0.00 H ATOM 3510 H VAL B 108 0.295 10.490 17.690 1.00 0.00 H ATOM 3511 N ALA B 109 2.626 10.624 20.975 1.00 7.49 N ATOM 3512 CA ALA B 109 2.277 10.433 22.374 1.00 7.64 C ATOM 3513 C ALA B 109 1.990 11.811 22.943 1.00 7.75 C ATOM 3514 O ALA B 109 2.705 12.775 22.643 1.00 8.39 O ATOM 3515 CB ALA B 109 3.423 9.782 23.133 1.00 7.48 C ATOM 3516 HA ALA B 109 1.412 9.776 22.469 1.00 0.00 H ATOM 3517 HB1 ALA B 109 3.645 8.811 22.690 1.00 0.00 H ATOM 3518 HB2 ALA B 109 4.305 10.420 23.074 1.00 0.00 H ATOM 3519 HB3 ALA B 109 3.137 9.650 24.177 1.00 0.00 H ATOM 3520 H ALA B 109 3.624 10.740 20.707 1.00 0.00 H ATOM 3521 N CYS B 110 0.940 11.903 23.752 1.00 7.97 N ATOM 3522 CA CYS B 110 0.577 13.168 24.379 1.00 8.40 C ATOM 3523 C CYS B 110 0.696 13.098 25.887 1.00 8.30 C ATOM 3524 O CYS B 110 0.418 12.063 26.497 1.00 8.72 O ATOM 3525 CB CYS B 110 -0.838 13.568 23.992 1.00 8.76 C ATOM 3526 SG CYS B 110 -1.048 13.748 22.221 1.00 10.32 S ATOM 3527 HA CYS B 110 1.276 13.923 24.018 1.00 0.00 H ATOM 3528 HB2 CYS B 110 -1.075 14.519 24.470 1.00 0.00 H ATOM 3529 HB3 CYS B 110 -1.527 12.802 24.349 1.00 0.00 H ATOM 3530 H CYS B 110 0.366 11.057 23.941 1.00 0.00 H ATOM 3531 N GLY B 111 1.121 14.209 26.473 1.00 7.54 N ATOM 3532 CA GLY B 111 1.312 14.302 27.918 1.00 7.37 C ATOM 3533 C GLY B 111 1.234 15.731 28.404 1.00 7.38 C ATOM 3534 O GLY B 111 1.190 16.672 27.608 1.00 7.56 O ATOM 3535 HA3 GLY B 111 2.291 13.896 28.172 1.00 0.00 H ATOM 3536 HA2 GLY B 111 0.538 13.717 28.415 1.00 0.00 H ATOM 3537 H GLY B 111 1.325 15.042 25.884 1.00 0.00 H ATOM 3538 N GLY B 112 1.228 15.895 29.722 1.00 7.37 N ATOM 3539 CA GLY B 112 1.119 17.218 30.326 1.00 7.78 C ATOM 3540 C GLY B 112 -0.329 17.652 30.452 1.00 8.04 C ATOM 3541 O GLY B 112 -1.247 16.933 30.043 1.00 7.70 O ATOM 3542 HA3 GLY B 112 1.652 17.937 29.704 1.00 0.00 H ATOM 3543 HA2 GLY B 112 1.570 17.193 31.318 1.00 0.00 H ATOM 3544 H GLY B 112 1.303 15.060 30.338 1.00 0.00 H ATOM 3545 N LYS B 113 -0.521 18.831 31.038 1.00 8.19 N ATOM 3546 CA LYS B 113 -1.837 19.439 31.177 1.00 8.70 C ATOM 3547 C LYS B 113 -1.663 20.920 30.856 1.00 8.91 C ATOM 3548 O LYS B 113 -1.099 21.649 31.664 1.00 9.08 O ATOM 3549 CB LYS B 113 -2.377 19.257 32.596 1.00 8.64 C ATOM 3550 CG LYS B 113 -2.603 17.804 33.013 1.00 8.98 C ATOM 3551 CD LYS B 113 -3.828 17.221 32.331 1.00 10.42 C ATOM 3552 CE LYS B 113 -4.142 15.839 32.880 1.00 11.78 C ATOM 3553 NZ LYS B 113 -5.443 15.312 32.383 1.00 13.25 N ATOM 3554 HA LYS B 113 -2.555 18.970 30.505 1.00 0.00 H ATOM 3555 HB2 LYS B 113 -1.665 19.703 33.290 1.00 0.00 H ATOM 3556 HB3 LYS B 113 -3.329 19.783 32.667 1.00 0.00 H ATOM 3557 HG2 LYS B 113 -1.728 17.215 32.738 1.00 0.00 H ATOM 3558 HG3 LYS B 113 -2.743 17.761 34.093 1.00 0.00 H ATOM 3559 HD2 LYS B 113 -4.681 17.877 32.504 1.00 0.00 H ATOM 3560 HD3 LYS B 113 -3.640 17.147 31.260 1.00 0.00 H ATOM 3561 HE2 LYS B 113 -4.179 15.895 33.968 1.00 0.00 H ATOM 3562 HE3 LYS B 113 -3.349 15.154 32.579 1.00 0.00 H ATOM 3563 HZ1 LYS B 113 -6.209 15.954 32.671 1.00 0.00 H ATOM 3564 HZ2 LYS B 113 -5.416 15.247 31.345 1.00 0.00 H ATOM 3565 HZ3 LYS B 113 -5.610 14.368 32.786 1.00 0.00 H ATOM 3566 H LYS B 113 0.304 19.340 31.413 1.00 0.00 H ATOM 3567 N PRO B 114 -2.130 21.365 29.672 1.00 9.59 N ATOM 3568 CA PRO B 114 -2.912 20.615 28.688 1.00 9.55 C ATOM 3569 C PRO B 114 -2.117 19.496 28.021 1.00 9.33 C ATOM 3570 O PRO B 114 -0.888 19.562 27.944 1.00 8.94 O ATOM 3571 CB PRO B 114 -3.291 21.683 27.653 1.00 9.79 C ATOM 3572 CG PRO B 114 -2.207 22.696 27.754 1.00 10.47 C ATOM 3573 CD PRO B 114 -1.850 22.738 29.211 1.00 10.00 C ATOM 3574 HA PRO B 114 -3.763 20.115 29.150 1.00 0.00 H ATOM 3575 HD3 PRO B 114 -0.798 22.989 29.348 1.00 0.00 H ATOM 3576 HD2 PRO B 114 -2.467 23.462 29.743 1.00 0.00 H ATOM 3577 HG3 PRO B 114 -2.560 23.671 27.417 1.00 0.00 H ATOM 3578 HG2 PRO B 114 -1.346 22.397 27.157 1.00 0.00 H ATOM 3579 HB2 PRO B 114 -3.327 21.255 26.651 1.00 0.00 H ATOM 3580 HB3 PRO B 114 -4.258 22.127 27.892 1.00 0.00 H ATOM 3581 N SER B 115 -2.829 18.473 27.563 1.00 9.43 N ATOM 3582 CA SER B 115 -2.203 17.342 26.909 1.00 9.50 C ATOM 3583 C SER B 115 -1.736 17.762 25.520 1.00 9.40 C ATOM 3584 O SER B 115 -2.547 18.123 24.661 1.00 9.66 O ATOM 3585 CB SER B 115 -3.189 16.178 26.822 1.00 9.94 C ATOM 3586 OG SER B 115 -2.587 15.069 26.193 1.00 11.31 O ATOM 3587 HA SER B 115 -1.340 17.012 27.487 1.00 0.00 H ATOM 3588 HB2 SER B 115 -4.061 16.488 26.246 1.00 0.00 H ATOM 3589 HB3 SER B 115 -3.501 15.895 27.827 1.00 0.00 H ATOM 3590 HG SER B 115 -3.238 14.325 26.145 1.00 0.00 H ATOM 3591 H SER B 115 -3.863 18.484 27.677 1.00 0.00 H ATOM 3592 N VAL B 116 -0.420 17.737 25.332 1.00 8.82 N ATOM 3593 CA VAL B 116 0.209 18.166 24.085 1.00 8.32 C ATOM 3594 C VAL B 116 1.178 17.076 23.619 1.00 7.98 C ATOM 3595 O VAL B 116 1.556 16.208 24.411 1.00 7.71 O ATOM 3596 CB VAL B 116 0.958 19.516 24.255 1.00 8.40 C ATOM 3597 CG1 VAL B 116 -0.029 20.650 24.576 1.00 8.80 C ATOM 3598 CG2 VAL B 116 2.042 19.410 25.329 1.00 8.97 C ATOM 3599 HA VAL B 116 -0.569 18.321 23.337 1.00 0.00 H ATOM 3600 HB VAL B 116 1.448 19.753 23.310 1.00 0.00 H ATOM 3601 HG11 VAL B 116 -0.748 20.746 23.762 1.00 0.00 H ATOM 3602 HG12 VAL B 116 -0.556 20.420 25.502 1.00 0.00 H ATOM 3603 HG13 VAL B 116 0.519 21.585 24.691 1.00 0.00 H ATOM 3604 HG21 VAL B 116 1.584 19.142 26.281 1.00 0.00 H ATOM 3605 HG22 VAL B 116 2.762 18.644 25.042 1.00 0.00 H ATOM 3606 HG23 VAL B 116 2.550 20.369 25.427 1.00 0.00 H ATOM 3607 H VAL B 116 0.187 17.398 26.105 1.00 0.00 H ATOM 3608 N PRO B 117 1.564 17.095 22.328 1.00 8.05 N ATOM 3609 CA PRO B 117 2.501 16.074 21.851 1.00 7.91 C ATOM 3610 C PRO B 117 3.838 16.141 22.579 1.00 7.99 C ATOM 3611 O PRO B 117 4.416 17.219 22.725 1.00 7.83 O ATOM 3612 CB PRO B 117 2.671 16.421 20.365 1.00 8.02 C ATOM 3613 CG PRO B 117 1.442 17.192 20.014 1.00 8.08 C ATOM 3614 CD PRO B 117 1.157 18.007 21.243 1.00 8.16 C ATOM 3615 HA PRO B 117 2.136 15.062 22.023 1.00 0.00 H ATOM 3616 HD3 PRO B 117 1.747 18.923 21.255 1.00 0.00 H ATOM 3617 HD2 PRO B 117 0.099 18.257 21.314 1.00 0.00 H ATOM 3618 HG3 PRO B 117 0.613 16.520 19.794 1.00 0.00 H ATOM 3619 HG2 PRO B 117 1.622 17.838 19.154 1.00 0.00 H ATOM 3620 HB2 PRO B 117 3.563 17.028 20.211 1.00 0.00 H ATOM 3621 HB3 PRO B 117 2.742 15.515 19.764 1.00 0.00 H ATOM 3622 N VAL B 118 4.309 14.984 23.036 1.00 8.06 N ATOM 3623 CA VAL B 118 5.591 14.895 23.742 1.00 8.35 C ATOM 3624 C VAL B 118 6.575 13.914 23.096 1.00 8.75 C ATOM 3625 O VAL B 118 7.744 13.872 23.468 1.00 9.08 O ATOM 3626 CB VAL B 118 5.408 14.551 25.258 1.00 8.74 C ATOM 3627 CG1 VAL B 118 4.675 15.670 25.977 1.00 9.28 C ATOM 3628 CG2 VAL B 118 4.692 13.209 25.440 1.00 8.48 C ATOM 3629 HA VAL B 118 6.026 15.891 23.660 1.00 0.00 H ATOM 3630 HB VAL B 118 6.398 14.455 25.705 1.00 0.00 H ATOM 3631 HG11 VAL B 118 5.249 16.593 25.891 1.00 0.00 H ATOM 3632 HG12 VAL B 118 3.693 15.808 25.525 1.00 0.00 H ATOM 3633 HG13 VAL B 118 4.559 15.409 27.029 1.00 0.00 H ATOM 3634 HG21 VAL B 118 3.708 13.257 24.973 1.00 0.00 H ATOM 3635 HG22 VAL B 118 5.279 12.419 24.972 1.00 0.00 H ATOM 3636 HG23 VAL B 118 4.581 12.999 26.504 1.00 0.00 H ATOM 3637 H VAL B 118 3.752 14.118 22.888 1.00 0.00 H ATOM 3638 N HIS B 119 6.093 13.126 22.139 1.00 8.49 N ATOM 3639 CA HIS B 119 6.916 12.126 21.468 1.00 9.11 C ATOM 3640 C HIS B 119 6.306 11.834 20.114 1.00 8.67 C ATOM 3641 O HIS B 119 5.082 11.711 19.991 1.00 8.96 O ATOM 3642 CB HIS B 119 6.984 10.834 22.296 1.00 9.66 C ATOM 3643 CG HIS B 119 7.840 9.763 21.690 1.00 12.49 C ATOM 3644 ND1 HIS B 119 9.217 9.774 21.769 1.00 15.47 N ATOM 3645 CD2 HIS B 119 7.512 8.642 21.004 1.00 14.50 C ATOM 3646 CE1 HIS B 119 9.699 8.709 21.154 1.00 14.80 C ATOM 3647 NE2 HIS B 119 8.686 8.008 20.677 1.00 15.33 N ATOM 3648 HA HIS B 119 7.930 12.509 21.353 1.00 0.00 H ATOM 3649 HB2 HIS B 119 7.386 11.078 23.279 1.00 0.00 H ATOM 3650 HB3 HIS B 119 5.972 10.443 22.405 1.00 0.00 H ATOM 3651 HD2 HIS B 119 6.505 8.306 20.758 1.00 0.00 H ATOM 3652 HE1 HIS B 119 10.754 8.452 21.057 1.00 0.00 H ATOM 3653 H HIS B 119 5.096 13.226 21.860 1.00 0.00 H ATOM 3654 N PHE B 120 7.156 11.753 19.098 1.00 8.00 N ATOM 3655 CA PHE B 120 6.700 11.329 17.783 1.00 7.95 C ATOM 3656 C PHE B 120 6.835 9.822 17.674 1.00 8.20 C ATOM 3657 O PHE B 120 7.943 9.285 17.723 1.00 8.86 O ATOM 3658 CB PHE B 120 7.484 12.014 16.662 1.00 7.90 C ATOM 3659 CG PHE B 120 6.835 11.869 15.317 1.00 6.96 C ATOM 3660 CD1 PHE B 120 7.022 10.717 14.550 1.00 7.83 C ATOM 3661 CD2 PHE B 120 5.991 12.864 14.836 1.00 7.66 C ATOM 3662 CE1 PHE B 120 6.384 10.567 13.322 1.00 8.12 C ATOM 3663 CE2 PHE B 120 5.364 12.732 13.606 1.00 7.80 C ATOM 3664 CZ PHE B 120 5.553 11.582 12.847 1.00 7.56 C ATOM 3665 HA PHE B 120 5.655 11.619 17.670 1.00 0.00 H ATOM 3666 HB2 PHE B 120 7.567 13.076 16.895 1.00 0.00 H ATOM 3667 HB3 PHE B 120 8.480 11.574 16.616 1.00 0.00 H ATOM 3668 HD2 PHE B 120 5.820 13.759 15.434 1.00 0.00 H ATOM 3669 HE2 PHE B 120 4.722 13.531 13.234 1.00 0.00 H ATOM 3670 HZ PHE B 120 5.054 11.474 11.884 1.00 0.00 H ATOM 3671 HE1 PHE B 120 6.533 9.661 12.734 1.00 0.00 H ATOM 3672 HD1 PHE B 120 7.675 9.926 14.917 1.00 0.00 H ATOM 3673 H PHE B 120 8.157 11.995 19.243 1.00 0.00 H ATOM 3674 N ASP B 121 5.705 9.141 17.502 1.00 8.28 N ATOM 3675 CA ASP B 121 5.713 7.684 17.543 1.00 9.07 C ATOM 3676 C ASP B 121 5.929 7.041 16.177 1.00 8.55 C ATOM 3677 O ASP B 121 6.787 6.161 16.017 1.00 9.23 O ATOM 3678 CB ASP B 121 4.429 7.157 18.185 1.00 9.25 C ATOM 3679 CG ASP B 121 4.586 5.748 18.722 1.00 11.42 C ATOM 3680 OD1 ASP B 121 5.548 5.502 19.487 1.00 13.98 O ATOM 3681 OD2 ASP B 121 3.749 4.886 18.391 1.00 12.50 O ATOM 3682 HA ASP B 121 6.569 7.400 18.156 1.00 0.00 H ATOM 3683 HB2 ASP B 121 4.153 7.816 19.008 1.00 0.00 H ATOM 3684 HB3 ASP B 121 3.637 7.160 17.437 1.00 0.00 H ATOM 3685 H ASP B 121 4.813 9.650 17.338 1.00 0.00 H ATOM 3686 N ALA B 122 5.144 7.476 15.196 1.00 8.48 N ATOM 3687 CA ALA B 122 5.150 6.847 13.878 1.00 8.26 C ATOM 3688 C ALA B 122 4.410 7.682 12.854 1.00 8.76 C ATOM 3689 O ALA B 122 3.593 8.539 13.199 1.00 8.95 O ATOM 3690 CB ALA B 122 4.524 5.446 13.957 1.00 8.46 C ATOM 3691 HA ALA B 122 6.189 6.766 13.558 1.00 0.00 H ATOM 3692 HB1 ALA B 122 5.099 4.831 14.650 1.00 0.00 H ATOM 3693 HB2 ALA B 122 3.496 5.528 14.310 1.00 0.00 H ATOM 3694 HB3 ALA B 122 4.535 4.988 12.968 1.00 0.00 H ATOM 3695 H ALA B 122 4.511 8.283 15.371 1.00 0.00 H ATOM 3696 N SER B 123 4.705 7.432 11.585 1.00 8.82 N ATOM 3697 CA SER B 123 3.881 7.942 10.509 1.00 9.70 C ATOM 3698 C SER B 123 3.357 6.736 9.758 1.00 9.84 C ATOM 3699 O SER B 123 4.122 5.814 9.457 1.00 10.45 O ATOM 3700 CB SER B 123 4.683 8.858 9.587 1.00 9.94 C ATOM 3701 OG SER B 123 5.824 8.192 9.078 1.00 11.58 O ATOM 3702 HA SER B 123 3.061 8.544 10.900 1.00 0.00 H ATOM 3703 HB2 SER B 123 5.003 9.737 10.147 1.00 0.00 H ATOM 3704 HB3 SER B 123 4.051 9.169 8.755 1.00 0.00 H ATOM 3705 HG SER B 123 5.538 7.395 8.565 1.00 0.00 H ATOM 3706 H SER B 123 5.543 6.859 11.359 1.00 0.00 H ATOM 3707 N VAL B 124 2.057 6.731 9.475 1.00 9.50 N ATOM 3708 CA VAL B 124 1.416 5.552 8.881 1.00 9.70 C ATOM 3709 C VAL B 124 0.431 5.936 7.780 1.00 9.11 C ATOM 3710 O VAL B 124 -0.042 7.079 7.728 1.00 8.45 O ATOM 3711 CB VAL B 124 0.728 4.668 9.966 1.00 9.69 C ATOM 3712 CG1 VAL B 124 -0.471 5.395 10.596 1.00 10.50 C ATOM 3713 CG2 VAL B 124 0.316 3.317 9.392 1.00 12.45 C ATOM 3714 HA VAL B 124 2.206 4.959 8.420 1.00 0.00 H ATOM 3715 OXT VAL B 124 0.094 5.104 6.926 1.00 8.57 O ATOM 3716 HB VAL B 124 1.455 4.485 10.757 1.00 0.00 H ATOM 3717 HG11 VAL B 124 -0.130 6.318 11.064 1.00 0.00 H ATOM 3718 HG12 VAL B 124 -1.201 5.627 9.821 1.00 0.00 H ATOM 3719 HG13 VAL B 124 -0.929 4.753 11.348 1.00 0.00 H ATOM 3720 HG21 VAL B 124 -0.384 3.471 8.571 1.00 0.00 H ATOM 3721 HG22 VAL B 124 1.200 2.795 9.025 1.00 0.00 H ATOM 3722 HG23 VAL B 124 -0.161 2.723 10.171 1.00 0.00 H ATOM 3723 H VAL B 124 1.486 7.576 9.678 1.00 0.00 H TER 3724 VAL B 124 HETATM 3725 O HOH 1 6.727 24.805 17.075 1.00 19.32 O HETATM 3726 O HOH 2 17.479 41.021 3.262 1.00 23.78 O HETATM 3727 O HOH 3 7.458 27.760 11.406 1.00 28.51 O HETATM 3728 O HOH 4 26.946 40.245 10.245 1.00 17.37 O HETATM 3729 O HOH 5 20.483 38.204 0.698 1.00 16.63 O HETATM 3730 O HOH 6 35.509 25.334 -6.629 1.00 17.31 O HETATM 3731 O HOH 7 9.861 12.341 19.851 1.00 13.71 O HETATM 3732 O HOH 8 36.206 21.672 -0.233 1.00 14.03 O HETATM 3733 O HOH 9 46.760 42.966 9.743 1.00 19.20 O HETATM 3734 O HOH 10 16.454 31.959 4.169 1.00 15.70 O HETATM 3735 O HOH 11 39.649 28.418 7.018 1.00 11.71 O HETATM 3736 O HOH 12 44.865 30.029 10.892 1.00 12.57 O HETATM 3737 O HOH 13 37.147 43.969 8.201 1.00 23.43 O HETATM 3738 O HOH 14 40.968 30.607 -6.116 1.00 18.01 O HETATM 3739 O HOH 15 9.962 14.836 21.411 1.00 19.10 O HETATM 3740 O HOH 16 6.089 19.496 28.797 1.00 16.52 O HETATM 3741 O HOH 17 46.497 27.858 9.998 1.00 12.25 O HETATM 3742 O HOH 18 3.529 22.336 22.484 1.00 16.62 O HETATM 3743 O HOH 19 19.145 39.672 16.860 1.00 34.33 O HETATM 3744 O HOH 20 4.079 26.258 22.222 1.00 33.23 O HETATM 3745 O HOH 21 4.194 28.083 14.780 1.00 16.94 O HETATM 3746 O HOH 22 35.820 35.629 -12.652 1.00 25.43 O HETATM 3747 O HOH 23 26.615 21.663 7.917 1.00 24.70 O HETATM 3748 O HOH 24 11.338 24.171 21.452 1.00 18.58 O HETATM 3749 O HOH 25 32.648 29.874 -10.009 1.00 23.56 O HETATM 3750 O HOH 26 15.851 22.668 2.012 1.00 21.93 O HETATM 3751 O HOH 27 9.361 24.472 16.212 1.00 17.61 O HETATM 3752 O HOH 28 30.153 39.461 -10.250 1.00 21.60 O HETATM 3753 O HOH 29 25.820 31.287 -6.315 1.00 21.59 O HETATM 3754 O HOH 30 35.325 33.370 10.418 1.00 18.09 O HETATM 3755 O HOH 31 45.340 29.300 2.323 1.00 17.42 O HETATM 3756 O HOH 32 11.476 24.346 27.984 1.00 21.91 O HETATM 3757 O HOH 33 22.325 28.765 15.792 1.00 23.11 O HETATM 3758 O HOH 34 49.238 42.548 8.503 1.00 27.10 O HETATM 3759 O HOH 35 16.747 25.127 1.865 1.00 21.51 O HETATM 3760 O HOH 36 15.054 33.869 0.893 1.00 18.37 O HETATM 3761 O HOH 37 11.962 42.009 4.423 1.00 34.69 O HETATM 3762 O HOH 38 47.219 41.293 2.512 1.00 24.36 O HETATM 3763 O HOH 39 45.340 25.512 9.003 1.00 22.40 O HETATM 3764 O HOH 40 42.459 28.805 -7.499 1.00 32.61 O HETATM 3765 O HOH 41 43.216 47.829 -0.958 1.00 19.05 O HETATM 3766 O HOH 42 31.556 32.478 -10.224 1.00 22.52 O HETATM 3767 O HOH 43 17.224 15.921 20.459 1.00 26.19 O HETATM 3768 O HOH 44 30.279 42.761 1.190 1.00 18.21 O HETATM 3769 O HOH 45 47.331 30.533 -0.368 1.00 21.07 O HETATM 3770 O HOH 46 28.196 40.206 12.667 1.00 25.26 O HETATM 3771 O HOH 47 29.080 44.485 -3.548 1.00 31.06 O HETATM 3772 O HOH 48 45.496 43.721 3.146 1.00 27.51 O HETATM 3773 O HOH 49 7.026 24.454 23.823 1.00 30.22 O HETATM 3774 O HOH 50 8.942 21.725 0.623 1.00 28.09 O HETATM 3775 O HOH 51 12.914 17.056 27.888 1.00 24.81 O HETATM 3776 O HOH 52 27.339 22.975 12.939 1.00 24.86 O HETATM 3777 O HOH 53 37.787 44.725 1.824 1.00 24.42 O HETATM 3778 O HOH 54 12.766 28.047 7.552 1.00 40.22 O HETATM 3779 O HOH 55 38.027 50.722 8.962 1.00 23.88 O HETATM 3780 O HOH 56 31.934 40.947 -8.854 1.00 31.85 O HETATM 3781 O HOH 57 27.599 43.999 3.679 1.00 36.50 O HETATM 3782 O HOH 58 0.332 30.658 2.203 1.00 24.63 O HETATM 3783 O HOH 59 48.459 34.841 3.061 1.00 25.28 O HETATM 3784 O HOH 60 46.699 44.221 -4.967 1.00 27.99 O HETATM 3785 O HOH 61 18.949 33.980 -5.432 1.00 23.29 O HETATM 3786 O HOH 62 17.562 30.991 11.293 1.00 20.91 O HETATM 3787 O HOH 63 39.962 33.201 -7.552 1.00 22.91 O HETATM 3788 O HOH 64 48.751 41.547 -4.524 1.00 28.67 O HETATM 3789 O HOH 65 25.189 28.563 -6.083 1.00 32.11 O HETATM 3790 O HOH 66 27.157 42.996 9.453 1.00 32.62 O HETATM 3791 O HOH 67 24.443 32.550 -8.682 1.00 31.61 O HETATM 3792 O HOH 68 36.640 29.148 -7.388 1.00 30.45 O HETATM 3793 O HOH 69 2.770 23.382 24.875 1.00 25.05 O HETATM 3794 O HOH 70 11.838 25.351 6.925 1.00 29.48 O HETATM 3795 O HOH 71 13.066 26.364 -4.319 1.00 36.98 O HETATM 3796 O HOH 72 27.651 43.221 -0.393 1.00 35.31 O HETATM 3797 O HOH 73 46.196 31.192 -6.534 1.00 34.37 O HETATM 3798 O HOH 74 30.158 35.647 13.338 1.00 24.96 O HETATM 3799 O HOH 75 13.652 23.753 23.180 1.00 22.08 O HETATM 3800 O HOH 76 38.390 40.785 7.627 1.00 31.46 O HETATM 3801 O HOH 77 15.176 17.717 26.556 1.00 32.02 O HETATM 3802 O HOH 78 15.403 33.077 -2.080 1.00 39.06 O HETATM 3803 O HOH 79 39.708 25.716 -9.333 1.00 24.39 O HETATM 3804 O HOH 80 12.972 33.970 5.276 1.00 26.53 O HETATM 3805 O HOH 81 -1.354 25.249 3.568 1.00 26.11 O HETATM 3806 O HOH 82 47.958 33.438 -7.040 1.00 38.61 O HETATM 3807 O HOH 83 20.500 41.005 14.428 1.00 27.21 O HETATM 3808 O HOH 84 31.006 35.548 -12.833 1.00 35.51 O HETATM 3809 O HOH 85 18.112 29.353 16.240 1.00 37.63 O HETATM 3810 O HOH 86 25.520 32.561 17.265 1.00 28.52 O HETATM 3811 O HOH 87 17.494 31.833 17.335 1.00 29.95 O HETATM 3812 O HOH 88 28.284 29.991 17.806 1.00 29.93 O HETATM 3813 O HOH 89 14.261 23.440 -3.349 1.00 47.31 O HETATM 3814 O HOH 90 17.555 20.841 29.069 1.00 46.66 O HETATM 3815 O HOH 91 17.895 19.942 24.886 1.00 41.64 O HETATM 3816 O HOH 92 30.532 45.133 -5.604 1.00 34.47 O HETATM 3817 O HOH 93 1.525 33.044 1.712 1.00 36.69 O HETATM 3818 O HOH 94 45.443 45.900 -7.212 1.00 37.69 O HETATM 3819 O HOH 95 8.813 25.703 6.590 1.00 41.77 O HETATM 3820 O HOH 96 24.657 34.846 16.507 1.00 35.28 O HETATM 3821 O HOH 97 30.065 28.196 18.626 1.00 42.94 O HETATM 3822 O HOH 98 15.952 31.709 14.740 1.00 50.48 O HETATM 3823 O HOH 99 5.150 25.517 14.847 1.00 15.02 O HETATM 3824 O HOH 100 51.690 29.816 4.928 1.00 32.01 O HETATM 3825 O HOH 101 7.559 25.304 13.473 1.00 15.49 O HETATM 3826 O HOH 102 41.883 40.771 9.580 1.00 21.45 O HETATM 3827 O HOH 103 27.987 38.438 0.298 1.00 16.96 O HETATM 3828 O HOH 104 39.810 49.794 4.798 1.00 37.24 O HETATM 3829 O HOH 105 17.665 29.969 13.816 1.00 33.54 O HETATM 3830 O HOH 106 38.365 45.052 -4.152 1.00 34.44 O HETATM 3831 O HOH 107 16.944 18.354 28.524 1.00 40.04 O HETATM 3832 O HOH 108 37.521 32.754 12.202 1.00 31.47 O HETATM 3833 O HOH 109 26.014 42.513 -4.307 1.00 35.08 O HETATM 3834 O HOH 110 12.597 29.433 -3.653 1.00 39.62 O HETATM 3835 O HOH 111 14.307 40.672 19.538 1.00 38.67 O HETATM 3836 O HOH 112 -1.536 27.168 1.800 1.00 28.84 O HETATM 3837 O HOH 113 34.883 31.852 -11.575 1.00 33.81 O HETATM 3838 O HOH 114 26.658 39.961 14.934 1.00 39.48 O HETATM 3839 O HOH 115 10.402 36.795 17.377 1.00 35.72 O HETATM 3840 O HOH 116 23.831 23.400 15.116 1.00 28.35 O HETATM 3841 O HOH 117 10.460 30.341 2.407 1.00 49.14 O HETATM 3842 O HOH 118 16.889 41.411 14.164 1.00 39.72 O HETATM 3843 O HOH 119 36.759 31.436 -8.372 1.00 37.89 O HETATM 3844 O HOH 120 15.006 26.042 -6.369 1.00 49.49 O HETATM 3845 O HOH 121 21.692 36.420 -8.541 1.00 29.89 O HETATM 3846 O HOH 122 39.337 42.164 -9.586 1.00 39.70 O HETATM 3847 O HOH 123 36.068 20.863 2.280 1.00 26.46 O HETATM 3848 O HOH 124 39.092 30.781 -7.853 1.00 28.61 O HETATM 3849 O HOH 125 39.952 30.169 -10.382 1.00 39.48 O HETATM 3850 O HOH 126 6.778 23.970 27.847 1.00 37.71 O HETATM 3851 O HOH 127 5.575 21.990 29.523 1.00 29.39 O HETATM 3852 O HOH 128 5.442 24.868 25.732 1.00 35.34 O HETATM 3853 O HOH 129 13.248 25.017 25.893 1.00 35.44 O HETATM 3854 O HOH 130 19.133 20.535 22.677 1.00 48.32 O HETATM 3855 O HOH 131 23.861 23.794 17.423 1.00 33.37 O HETATM 3856 O HOH 132 27.395 34.360 15.296 1.00 33.23 O HETATM 3857 O HOH 133 19.864 43.179 10.735 1.00 33.63 O HETATM 3858 O HOH 134 41.870 22.448 1.187 1.00 22.95 O HETATM 3859 O HOH 135 45.495 24.375 5.425 1.00 29.61 O HETATM 3860 O HOH 136 39.507 41.988 9.600 1.00 29.68 O HETATM 3861 O HOH 137 45.586 41.078 10.930 1.00 28.04 O HETATM 3862 O HOH 138 49.418 34.334 8.121 1.00 30.44 O HETATM 3863 O HOH 139 26.395 21.729 5.192 1.00 28.58 O HETATM 3864 O HOH 140 11.124 15.030 27.651 1.00 28.34 O HETATM 3865 O HOH 141 9.663 30.064 5.379 1.00 44.56 O HETATM 3866 O HOH 142 6.870 29.107 7.898 1.00 32.01 O HETATM 3867 O HOH 143 38.145 40.484 11.759 1.00 37.69 O HETATM 3868 O HOH 144 47.521 28.779 -5.048 1.00 38.93 O HETATM 3869 O HOH 145 19.018 15.529 3.575 1.00 14.29 O HETATM 3870 O HOH 146 1.930 27.062 13.505 1.00 11.17 O HETATM 3871 O HOH 147 2.112 3.353 6.152 1.00 28.38 O HETATM 3872 O HOH 148 34.249 35.827 9.276 1.00 14.43 O HETATM 3873 O HOH 149 0.314 5.718 29.041 1.00 15.45 O HETATM 3874 O HOH 150 20.886 23.087 0.490 1.00 16.30 O HETATM 3875 O HOH 151 32.227 23.088 3.063 1.00 21.98 O HETATM 3876 O HOH 152 7.105 5.522 11.240 1.00 18.53 O HETATM 3877 O HOH 153 -1.854 23.046 9.215 1.00 11.35 O HETATM 3878 O HOH 154 34.997 23.274 2.994 1.00 24.65 O HETATM 3879 O HOH 155 -5.475 18.296 13.479 1.00 17.70 O HETATM 3880 O HOH 156 -5.583 15.400 11.516 1.00 21.05 O HETATM 3881 O HOH 157 -0.385 0.790 23.004 1.00 23.19 O HETATM 3882 O HOH 158 38.615 21.068 6.414 1.00 37.11 O HETATM 3883 O HOH 159 40.961 26.006 6.531 1.00 14.11 O HETATM 3884 O HOH 160 15.785 7.945 15.824 1.00 16.56 O HETATM 3885 O HOH 161 17.735 13.501 0.554 1.00 16.62 O HETATM 3886 O HOH 162 4.709 19.884 21.987 1.00 12.94 O HETATM 3887 O HOH 163 10.859 13.419 -1.421 1.00 24.97 O HETATM 3888 O HOH 164 -0.427 27.174 15.221 1.00 15.51 O HETATM 3889 O HOH 165 -0.496 28.675 12.423 1.00 12.26 O HETATM 3890 O HOH 166 31.340 7.522 13.915 1.00 37.15 O HETATM 3891 O HOH 167 34.555 24.057 11.264 1.00 18.15 O HETATM 3892 O HOH 168 -5.525 18.480 28.272 1.00 24.27 O HETATM 3893 O HOH 169 23.348 16.801 9.624 1.00 23.77 O HETATM 3894 O HOH 170 -4.157 25.754 11.822 1.00 19.44 O HETATM 3895 O HOH 171 -6.818 15.909 25.368 1.00 30.09 O HETATM 3896 O HOH 172 -2.022 4.257 23.057 1.00 21.56 O HETATM 3897 O HOH 173 -4.415 0.879 17.210 1.00 27.37 O HETATM 3898 O HOH 174 -0.797 10.033 1.481 1.00 16.98 O HETATM 3899 O HOH 175 23.051 19.252 15.622 1.00 24.93 O HETATM 3900 O HOH 176 -3.447 19.235 9.525 1.00 19.20 O HETATM 3901 O HOH 177 2.075 3.535 16.842 1.00 27.65 O HETATM 3902 O HOH 178 29.767 21.632 2.719 1.00 21.88 O HETATM 3903 O HOH 179 -6.298 12.460 4.971 1.00 19.15 O HETATM 3904 O HOH 180 -0.704 22.465 5.223 1.00 24.63 O HETATM 3905 O HOH 181 21.003 4.552 11.145 1.00 34.09 O HETATM 3906 O HOH 182 -5.821 18.383 21.719 1.00 22.22 O HETATM 3907 O HOH 183 32.364 23.837 6.461 1.00 16.83 O HETATM 3908 O HOH 184 -5.419 17.957 10.815 1.00 18.91 O HETATM 3909 O HOH 185 3.627 18.463 28.263 1.00 19.39 O HETATM 3910 O HOH 186 -2.734 19.597 22.513 1.00 20.77 O HETATM 3911 O HOH 187 25.902 8.306 15.109 1.00 29.68 O HETATM 3912 O HOH 188 -9.224 17.709 16.939 1.00 31.40 O HETATM 3913 O HOH 189 -2.815 11.817 1.853 1.00 17.23 O HETATM 3914 O HOH 190 1.604 20.563 28.776 1.00 22.44 O HETATM 3915 O HOH 191 5.216 16.910 2.789 1.00 19.66 O HETATM 3916 O HOH 192 2.060 20.102 31.756 1.00 17.85 O HETATM 3917 O HOH 193 42.691 27.031 18.505 1.00 24.17 O HETATM 3918 O HOH 194 -4.726 13.659 25.121 1.00 25.06 O HETATM 3919 O HOH 195 -2.103 18.534 4.678 1.00 19.95 O HETATM 3920 O HOH 196 25.261 17.844 11.169 1.00 34.43 O HETATM 3921 O HOH 197 40.007 23.759 9.980 1.00 27.47 O HETATM 3922 O HOH 198 24.487 22.927 3.379 1.00 18.64 O HETATM 3923 O HOH 199 39.218 23.940 15.783 1.00 27.00 O HETATM 3924 O HOH 200 35.053 30.551 17.649 1.00 28.85 O HETATM 3925 O HOH 201 11.365 18.968 3.294 1.00 28.06 O HETATM 3926 O HOH 202 43.392 29.061 12.893 1.00 21.46 O HETATM 3927 O HOH 203 12.364 17.839 0.411 1.00 31.79 O HETATM 3928 O HOH 204 23.098 6.692 14.171 1.00 27.63 O HETATM 3929 O HOH 205 9.709 3.835 25.489 1.00 29.31 O HETATM 3930 O HOH 206 -4.813 22.904 18.902 1.00 20.69 O HETATM 3931 O HOH 207 -1.629 15.788 3.904 1.00 23.37 O HETATM 3932 O HOH 208 15.367 5.222 15.735 1.00 24.80 O HETATM 3933 O HOH 209 23.087 13.323 2.602 1.00 34.02 O HETATM 3934 O HOH 210 -9.800 4.882 19.335 1.00 29.35 O HETATM 3935 O HOH 211 -5.181 18.266 24.433 1.00 24.39 O HETATM 3936 O HOH 212 34.108 24.287 14.038 1.00 23.08 O HETATM 3937 O HOH 213 -2.119 14.305 29.929 1.00 24.67 O HETATM 3938 O HOH 214 7.832 17.570 2.982 1.00 22.27 O HETATM 3939 O HOH 215 20.179 18.140 21.650 1.00 36.46 O HETATM 3940 O HOH 216 -7.512 20.161 13.899 1.00 33.06 O HETATM 3941 O HOH 217 27.800 16.687 14.065 1.00 37.46 O HETATM 3942 O HOH 218 22.336 26.354 -6.905 1.00 36.56 O HETATM 3943 O HOH 219 24.762 18.722 4.092 1.00 29.54 O HETATM 3944 O HOH 220 18.501 24.474 -0.016 1.00 23.82 O HETATM 3945 O HOH 221 7.944 4.398 14.267 1.00 33.20 O HETATM 3946 O HOH 222 4.968 7.082 21.713 1.00 36.50 O HETATM 3947 O HOH 223 -3.708 18.068 7.080 1.00 23.42 O HETATM 3948 O HOH 224 16.695 8.214 18.442 1.00 23.35 O HETATM 3949 O HOH 225 15.494 13.433 -1.432 1.00 26.96 O HETATM 3950 O HOH 226 -4.037 2.466 23.736 1.00 28.92 O HETATM 3951 O HOH 227 7.034 6.086 8.098 1.00 35.80 O HETATM 3952 O HOH 228 21.661 24.833 15.953 1.00 27.83 O HETATM 3953 O HOH 229 12.616 4.525 15.561 1.00 44.15 O HETATM 3954 O HOH 230 20.353 4.256 5.127 1.00 35.80 O HETATM 3955 O HOH 231 0.780 27.862 17.497 1.00 30.70 O HETATM 3956 O HOH 232 -6.490 24.472 11.727 1.00 25.59 O HETATM 3957 O HOH 233 5.634 -2.152 18.570 1.00 29.14 O HETATM 3958 O HOH 234 -5.215 14.754 29.351 1.00 35.12 O HETATM 3959 O HOH 235 19.322 13.907 19.214 1.00 33.30 O HETATM 3960 O HOH 236 17.924 5.200 10.207 1.00 28.37 O HETATM 3961 O HOH 237 37.648 31.023 16.992 1.00 30.45 O HETATM 3962 O HOH 238 0.439 23.802 31.313 1.00 29.49 O HETATM 3963 O HOH 239 -3.876 9.475 26.909 1.00 44.96 O HETATM 3964 O HOH 240 14.786 20.291 -6.315 1.00 33.54 O HETATM 3965 O HOH 241 21.909 13.417 18.468 1.00 42.27 O HETATM 3966 O HOH 242 1.846 7.823 29.322 1.00 34.58 O HETATM 3967 O HOH 243 -9.513 11.880 7.150 1.00 33.22 O HETATM 3968 O HOH 244 15.870 12.237 20.343 1.00 38.02 O HETATM 3969 O HOH 245 -4.544 1.800 14.456 1.00 37.21 O HETATM 3970 O HOH 246 -5.965 20.792 24.971 1.00 44.61 O HETATM 3971 O HOH 247 20.713 2.198 6.951 1.00 35.50 O HETATM 3972 O HOH 248 -3.529 21.950 23.490 1.00 38.93 O HETATM 3973 O HOH 249 -1.287 1.807 16.125 1.00 40.68 O HETATM 3974 O HOH 250 36.275 23.217 15.831 1.00 34.46 O HETATM 3975 O HOH 251 25.053 5.018 8.623 1.00 43.86 O HETATM 3976 O HOH 252 9.464 13.460 25.673 1.00 39.15 O HETATM 3977 O HOH 253 9.359 6.335 6.612 1.00 20.55 O HETATM 3978 O HOH 254 27.788 7.439 17.001 1.00 40.97 O HETATM 3979 O HOH 255 -8.617 13.810 5.404 1.00 30.20 O HETATM 3980 O HOH 256 8.684 7.301 28.126 1.00 45.53 O HETATM 3981 O HOH 257 20.618 3.744 2.416 1.00 23.29 O HETATM 3982 O HOH 258 5.994 4.662 21.554 1.00 31.72 O HETATM 3983 O HOH 259 17.097 19.610 -5.634 1.00 21.91 O HETATM 3984 O HOH 260 0.288 8.090 32.283 1.00 31.21 O HETATM 3985 O HOH 261 19.415 27.444 17.711 1.00 35.83 O HETATM 3986 O HOH 262 4.510 4.142 7.007 1.00 28.06 O HETATM 3987 O HOH 263 29.696 32.143 14.938 1.00 22.31 O HETATM 3988 O HOH 264 34.791 22.723 5.762 1.00 26.30 O HETATM 3989 O HOH 265 13.063 15.547 -1.100 1.00 39.64 O HETATM 3990 O HOH 266 17.870 25.371 17.099 1.00 25.37 O HETATM 3991 O HOH 267 9.589 15.422 24.095 1.00 25.32 O HETATM 3992 O HOH 268 10.198 4.525 11.343 1.00 37.81 O HETATM 3993 O HOH 269 24.199 5.394 1.520 1.00 37.56 O HETATM 3994 O HOH 270 -6.749 24.173 17.662 1.00 36.91 O HETATM 3995 O HOH 271 16.042 24.454 18.742 1.00 35.17 O HETATM 3996 O HOH 272 -3.559 21.319 6.088 1.00 29.88 O HETATM 3997 O HOH 273 -6.328 8.313 10.989 1.00 29.14 O HETATM 3998 O HOH 274 40.915 22.530 6.435 1.00 27.24 O HETATM 3999 O HOH 275 -0.358 26.228 19.378 1.00 28.73 O HETATM 4000 O HOH 276 26.920 7.594 12.708 1.00 42.45 O HETATM 4001 O HOH 277 -2.236 3.072 13.809 1.00 39.85 O HETATM 4002 O HOH 278 9.880 26.360 14.545 1.00 39.75 O HETATM 4003 O HOH 279 13.703 24.875 17.738 1.00 36.07 O HETATM 4004 O HOH 280 20.032 14.107 -2.320 1.00 33.89 O HETATM 4005 O HOH 281 -7.970 13.021 24.018 1.00 35.65 O HETATM 4006 O HOH 282 -8.621 8.699 8.814 1.00 45.35 O HETATM 4007 O HOH 283 32.857 10.606 9.514 1.00 49.57 O HETATM 4008 O HOH 284 8.289 9.669 9.125 1.00 15.96 O HETATM 4009 O HOH 285 38.033 19.947 4.010 1.00 32.49 O HETATM 4010 O HOH 286 4.851 10.338 27.383 1.00 31.07 O HETATM 4011 O HOH 287 4.939 8.554 29.725 1.00 28.95 O HETATM 4012 O HOH 288 27.459 17.820 3.252 1.00 41.11 O HETATM 4013 O HOH 289 27.859 16.947 0.761 1.00 30.65 O HETATM 4014 O HOH 290 10.631 20.053 -3.356 1.00 47.76 O HETATM 4015 O HOH 291 -6.113 2.849 25.652 1.00 36.51 O HETATM 4016 O HOH 292 37.595 17.351 4.692 1.00 43.31 O HETATM 4017 O HOH 293 -11.792 11.580 18.067 1.00 37.98 O HETATM 4018 O HOH 294 7.646 9.273 30.025 1.00 33.96 O HETATM 4019 O HOH 295 11.176 24.969 18.633 1.00 30.90 O HETATM 4020 O HOH 296 14.024 26.375 12.217 1.00 32.42 O HETATM 4021 O HOH 297 30.747 31.035 18.016 1.00 34.61 O HETATM 4022 O HOH 298 43.257 24.965 7.404 1.00 17.97 O HETATM 4023 O HOH 299 42.623 22.666 8.804 1.00 20.56 O HETATM 4024 O HOH 300 38.153 22.065 10.738 1.00 36.33 O HETATM 4025 O HOH 301 24.536 20.020 7.696 1.00 38.45 O HETATM 4026 O HOH 302 7.755 11.408 -1.650 1.00 29.70 O HETATM 4027 O HOH 303 21.597 16.350 0.319 1.00 23.46 O HETATM 4028 O HOH 304 -6.112 21.221 20.572 1.00 36.41 O HETATM 4029 O HOH 305 -3.559 -0.324 23.756 1.00 25.97 O HETATM 4030 O HOH 306 13.651 9.481 4.271 1.00 12.36 O HETATM 4031 O HOH 307 19.935 10.033 0.270 1.00 36.75 O HETATM 4032 O HOH 308 2.634 22.602 27.567 1.00 28.65 O HETATM 4033 O HOH 309 -6.702 22.888 15.057 1.00 44.02 O HETATM 4034 P C A 3 32.093 38.128 12.167 1.00 0.20 P HETATM 4035 O1P C A 3 32.958 39.374 12.156 1.00 -0.55 O HETATM 4036 O2P C A 3 32.848 36.828 12.020 1.00 -0.55 O HETATM 4037 O3P C A 3 31.049 38.119 13.258 1.00 -0.55 O HETATM 4038 O3' C A 3 31.187 38.156 10.838 1.00 -0.27 O HETATM 4039 C3' C A 3 31.353 39.076 9.782 1.00 0.15 C HETATM 4040 C4' C A 3 30.301 40.187 9.860 1.00 0.12 C HETATM 4041 C5' C A 3 30.903 41.559 10.173 1.00 0.07 C HETATM 4042 O5' C A 3 31.296 42.259 8.982 1.00 -0.39 O HETATM 4043 H1 C A 3 30.536 42.388 8.426 1.00 0.21 H HETATM 4044 H2 C A 3 30.154 42.161 10.708 1.00 0.06 H HETATM 4045 H3 C A 3 31.788 41.421 10.812 1.00 0.06 H HETATM 4046 O4' C A 3 29.640 40.194 8.589 1.00 -0.34 O HETATM 4047 C1' C A 3 30.563 39.545 7.711 1.00 0.21 C HETATM 4048 C2' C A 3 31.094 38.350 8.475 1.00 0.14 C HETATM 4049 O2' C A 3 32.332 37.872 7.967 1.00 -0.38 O HETATM 4050 H7 C A 3 32.917 38.606 7.819 1.00 0.21 H HETATM 4051 H6 C A 3 30.364 37.531 8.555 1.00 0.07 H HETATM 4052 N1 C A 3 30.123 39.512 6.313 1.00 -0.15 N HETATM 4053 C2 C A 3 29.762 38.390 5.508 1.00 0.35 C HETATM 4054 N3 C A 3 29.422 38.627 4.220 1.00 -0.19 N HETATM 4055 C4 C A 3 29.428 39.877 3.687 1.00 0.09 C HETATM 4056 C5 C A 3 29.791 40.965 4.459 1.00 0.00 C HETATM 4057 C6 C A 3 30.135 40.739 5.774 1.00 0.07 C HETATM 4058 H11 C A 3 30.426 41.585 6.395 1.00 0.13 H HETATM 4059 H10 C A 3 29.805 41.970 4.040 1.00 0.03 H HETATM 4060 N4 C A 3 29.084 40.093 2.398 1.00 -0.43 N HETATM 4061 H12 C A 3 29.096 41.029 2.023 1.00 0.03 H HETATM 4062 H9 C A 3 29.157 37.856 3.641 1.00 0.24 H HETATM 4063 O2 C A 3 29.737 37.207 5.927 1.00 -0.38 O HETATM 4064 H8 C A 3 31.434 40.215 7.656 1.00 0.10 H HETATM 4065 H4 C A 3 29.576 39.942 10.650 1.00 0.07 H HETATM 4066 H5 C A 3 32.367 39.501 9.805 1.00 0.07 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 365 364 1260 CONECT 442 441 2314 CONECT 452 451 2304 CONECT 585 584 1423 CONECT 858 857 1664 CONECT 970 969 1068 CONECT 1068 970 1067 CONECT 1260 365 1259 CONECT 1423 585 1422 CONECT 1664 858 1663 CONECT 1863 1864 1884 1885 1886 CONECT 1884 1863 CONECT 1885 1863 CONECT 1886 1863 CONECT 2227 2226 3122 CONECT 2304 452 2303 CONECT 2314 442 2313 CONECT 2447 2446 3285 CONECT 2720 2719 3526 CONECT 2832 2831 2930 CONECT 2930 2832 2929 CONECT 3122 2227 3121 CONECT 3285 2447 3284 CONECT 3526 2720 3525 CONECT 4034 4035 4036 4037 4038 CONECT 4035 4034 CONECT 4036 4034 CONECT 4037 4034 CONECT 4038 4034 4039 CONECT 4039 4038 4040 4048 4066 CONECT 4040 4039 4041 4046 4065 CONECT 4041 4040 4042 4044 4045 CONECT 4042 4041 4043 CONECT 4043 4042 CONECT 4044 4041 CONECT 4045 4041 CONECT 4046 4040 4047 CONECT 4047 4046 4048 4052 4064 CONECT 4048 4039 4047 4049 4051 CONECT 4049 4048 4050 CONECT 4050 4049 CONECT 4051 4048 CONECT 4052 4047 4053 4057 CONECT 4053 4052 4054 4063 CONECT 4054 4053 4055 4062 CONECT 4055 4054 4056 4060 CONECT 4056 4055 4057 4059 CONECT 4057 4052 4056 4058 CONECT 4058 4057 CONECT 4059 4056 CONECT 4060 4055 4061 CONECT 4061 4060 CONECT 4062 4054 CONECT 4063 4053 CONECT 4064 4047 CONECT 4065 4040 CONECT 4066 4039 MASTER 0 0 0 0 0 0 0 0 4064 2 61 20 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 3djv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1n3z
RCSB PDB
PDBbind
124aa, >1N3Z_1|Chain... *
3djo
RCSB PDB
PDBbind
124aa, >3DJO_1|Chains... at 100%
3djp
RCSB PDB
PDBbind
124aa, >3DJP_1|Chains... at 100%
3djq
RCSB PDB
PDBbind
124aa, >3DJQ_1|Chains... at 100%
3djx
RCSB PDB
PDBbind
124aa, >3DJX_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1rpf
RCSB PDB
PDBbind
C3P
Entry Information
PDB ID
3djv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Seminal ribonuclease
Ligand Name
C3P
EC.Number
E.C.3.1.27.5
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=27.9uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Eur.J.Med.Chem. Vol. 44: pp. 4496-4508
Ligand Properties
Formula
C
9
H
1
5
N
3
O
8
P
Molecular Weight
324.204
Exact Mass
324.060
No. of atoms
36
No. of bonds
37
Polar Surface Area
194.84
LOGP Value
-4.02 (
Computed with XLOGP3
)
-2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@@H]([C@H]([C@@H]1OP(O)(O)O)O)n1ccc(=N)[nH]c1=O
InChI String
InChI=1S/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14,16-18,21H,3H2,(H2,10,11,15)/t4-,6+,7-,8+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00669
Entrez Gene ID
NCBI Entrez Gene ID:
280930
ASD
Information of known allosteric effects of PDB entries
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