Browse entries in the PDBbind-CN Database
HEADER 1N3Z_COMPLEX COMPND 1N3Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 16 LYS GLU SER ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 16 ASP SER GLY SEQRES 1 A 9 SER SER ASN TYR CYS ASN LEU MET MET SEQRES 1 A 92 ARG LYS MET THR GLN GLY LYS CYS LYS PRO VAL ASN THR SEQRES 2 A 92 PHE VAL HIS GLU SER LEU ALA ASP VAL LYS ALA VAL CYS SEQRES 3 A 92 SER GLN LYS LYS VAL THR CYS LYS ASN GLY GLN THR ASN SEQRES 4 A 92 CYS TYR GLN SER LYS SER THR MET ARG ILE THR ASP CYS SEQRES 5 A 92 ARG GLU THR GLY SER SER LYS TYR PRO ASN CYS ALA TYR SEQRES 6 A 92 LYS THR THR GLN VAL GLU LYS HIS ILE ILE VAL ALA CYS SEQRES 7 A 92 GLY GLY LYS PRO SER VAL PRO VAL HIS PHE ASP ALA SER SEQRES 8 A 92 VAL HET U A 3P 32 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 ATOM 1 N LYS A 1 13.139 -5.854 28.936 1.00 25.26 N ATOM 2 CA LYS A 1 13.576 -4.679 28.129 1.00 24.01 C ATOM 3 C LYS A 1 15.080 -4.763 28.002 1.00 22.92 C ATOM 4 O LYS A 1 15.773 -5.000 28.998 1.00 23.70 O ATOM 5 CB LYS A 1 13.187 -3.361 28.826 1.00 25.49 C ATOM 6 CG LYS A 1 13.842 -2.118 28.212 1.00 26.65 C ATOM 7 CD LYS A 1 12.824 -1.141 27.628 1.00 28.73 C ATOM 8 CE LYS A 1 13.381 -0.362 26.430 1.00 28.72 C ATOM 9 NZ LYS A 1 12.325 -0.249 25.370 1.00 30.32 N ATOM 10 HA LYS A 1 13.093 -4.692 27.152 1.00 0.00 H ATOM 11 HB2 LYS A 1 12.105 -3.246 28.764 1.00 0.00 H ATOM 12 HB3 LYS A 1 13.485 -3.425 29.873 1.00 0.00 H ATOM 13 HG2 LYS A 1 14.412 -1.606 28.987 1.00 0.00 H ATOM 14 HG3 LYS A 1 14.516 -2.436 27.417 1.00 0.00 H ATOM 15 HD2 LYS A 1 11.947 -1.701 27.304 1.00 0.00 H ATOM 16 HD3 LYS A 1 12.535 -0.431 28.403 1.00 0.00 H ATOM 17 HE2 LYS A 1 14.247 -0.887 26.026 1.00 0.00 H ATOM 18 HE3 LYS A 1 13.680 0.635 26.752 1.00 0.00 H ATOM 19 HZ1 LYS A 1 12.041 -1.201 25.063 1.00 0.00 H ATOM 20 HZ2 LYS A 1 11.500 0.253 25.756 1.00 0.00 H ATOM 21 HZ3 LYS A 1 12.705 0.279 24.559 1.00 0.00 H ATOM 22 HN3 LYS A 1 13.590 -5.817 29.873 1.00 0.00 H ATOM 23 HN2 LYS A 1 13.419 -6.730 28.450 1.00 0.00 H ATOM 24 HN1 LYS A 1 12.105 -5.832 29.046 1.00 0.00 H ATOM 25 N GLU A 2 15.576 -4.566 26.783 1.00 21.00 N ATOM 26 CA GLU A 2 17.020 -4.628 26.487 1.00 18.57 C ATOM 27 C GLU A 2 17.638 -3.255 26.798 1.00 17.35 C ATOM 28 O GLU A 2 17.014 -2.219 26.548 1.00 17.04 O ATOM 29 CB GLU A 2 17.165 -5.034 25.002 1.00 18.80 C ATOM 30 CG GLU A 2 18.420 -4.676 24.267 1.00 17.74 C ATOM 31 CD GLU A 2 18.303 -5.037 22.765 1.00 17.17 C ATOM 32 OE1 GLU A 2 17.506 -4.390 22.036 1.00 15.47 O ATOM 33 OE2 GLU A 2 19.012 -5.963 22.336 1.00 16.29 O ATOM 34 HA GLU A 2 17.547 -5.362 27.096 1.00 0.00 H ATOM 35 HB2 GLU A 2 17.067 -6.119 24.957 1.00 0.00 H ATOM 36 HB3 GLU A 2 16.337 -4.573 24.463 1.00 0.00 H ATOM 37 HG2 GLU A 2 18.598 -3.605 24.364 1.00 0.00 H ATOM 38 HG3 GLU A 2 19.257 -5.223 24.702 1.00 0.00 H ATOM 39 H GLU A 2 14.917 -4.359 26.005 1.00 0.00 H ATOM 40 N SER A 3 18.832 -3.229 27.367 1.00 15.56 N ATOM 41 CA SER A 3 19.448 -1.938 27.675 1.00 14.94 C ATOM 42 C SER A 3 19.999 -1.294 26.410 1.00 14.72 C ATOM 43 O SER A 3 20.103 -1.952 25.373 1.00 14.11 O ATOM 44 CB SER A 3 20.600 -2.124 28.653 1.00 15.31 C ATOM 45 OG SER A 3 21.614 -2.947 28.071 1.00 16.00 O ATOM 46 HA SER A 3 18.682 -1.299 28.113 1.00 0.00 H ATOM 47 HB2 SER A 3 20.228 -2.598 29.561 1.00 0.00 H ATOM 48 HB3 SER A 3 21.024 -1.151 28.900 1.00 0.00 H ATOM 49 HG SER A 3 22.356 -3.060 28.716 1.00 0.00 H ATOM 50 H SER A 3 19.327 -4.115 27.593 1.00 0.00 H ATOM 51 N ALA A 4 20.373 -0.019 26.488 1.00 13.78 N ATOM 52 CA ALA A 4 20.956 0.642 25.334 1.00 13.40 C ATOM 53 C ALA A 4 22.265 -0.042 24.946 1.00 13.38 C ATOM 54 O ALA A 4 22.544 -0.225 23.742 1.00 12.05 O ATOM 55 CB ALA A 4 21.216 2.096 25.633 1.00 14.15 C ATOM 56 HA ALA A 4 20.251 0.573 24.505 1.00 0.00 H ATOM 57 HB1 ALA A 4 20.276 2.587 25.886 1.00 0.00 H ATOM 58 HB2 ALA A 4 21.906 2.175 26.473 1.00 0.00 H ATOM 59 HB3 ALA A 4 21.653 2.574 24.756 1.00 0.00 H ATOM 60 H ALA A 4 20.247 0.505 27.378 1.00 0.00 H ATOM 61 N ALA A 5 23.077 -0.425 25.941 1.00 12.68 N ATOM 62 CA ALA A 5 24.356 -1.082 25.622 1.00 12.64 C ATOM 63 C ALA A 5 24.156 -2.454 24.959 1.00 12.64 C ATOM 64 O ALA A 5 24.903 -2.841 24.042 1.00 12.78 O ATOM 65 CB ALA A 5 25.222 -1.215 26.874 1.00 13.17 C ATOM 66 HA ALA A 5 24.871 -0.446 24.902 1.00 0.00 H ATOM 67 HB1 ALA A 5 25.426 -0.224 27.280 1.00 0.00 H ATOM 68 HB2 ALA A 5 24.694 -1.812 27.618 1.00 0.00 H ATOM 69 HB3 ALA A 5 26.161 -1.703 26.614 1.00 0.00 H ATOM 70 H ALA A 5 22.806 -0.259 26.931 1.00 0.00 H ATOM 71 N ALA A 6 23.142 -3.191 25.400 1.00 11.78 N ATOM 72 CA ALA A 6 22.876 -4.514 24.826 1.00 12.07 C ATOM 73 C ALA A 6 22.359 -4.400 23.396 1.00 11.01 C ATOM 74 O ALA A 6 22.668 -5.237 22.550 1.00 11.66 O ATOM 75 CB ALA A 6 21.860 -5.270 25.693 1.00 11.18 C ATOM 76 HA ALA A 6 23.814 -5.068 24.805 1.00 0.00 H ATOM 77 HB1 ALA A 6 22.261 -5.390 26.699 1.00 0.00 H ATOM 78 HB2 ALA A 6 20.929 -4.704 25.736 1.00 0.00 H ATOM 79 HB3 ALA A 6 21.671 -6.251 25.257 1.00 0.00 H ATOM 80 H ALA A 6 22.532 -2.826 26.159 1.00 0.00 H ATOM 81 N LYS A 7 21.576 -3.357 23.147 1.00 10.45 N ATOM 82 CA LYS A 7 21.019 -3.104 21.841 1.00 10.35 C ATOM 83 C LYS A 7 22.169 -2.740 20.912 1.00 9.52 C ATOM 84 O LYS A 7 22.172 -3.167 19.745 1.00 10.08 O ATOM 85 CB LYS A 7 20.005 -1.966 21.902 1.00 11.45 C ATOM 86 CG LYS A 7 19.328 -1.634 20.563 1.00 12.89 C ATOM 87 CD LYS A 7 18.456 -0.413 20.761 1.00 15.49 C ATOM 88 CE LYS A 7 17.787 0.041 19.479 1.00 17.68 C ATOM 89 NZ LYS A 7 16.262 -0.039 19.499 1.00 20.41 N ATOM 90 HA LYS A 7 20.498 -3.989 21.475 1.00 0.00 H ATOM 91 HB2 LYS A 7 19.229 -2.241 22.616 1.00 0.00 H ATOM 92 HB3 LYS A 7 20.519 -1.072 22.253 1.00 0.00 H ATOM 93 HG2 LYS A 7 20.086 -1.427 19.808 1.00 0.00 H ATOM 94 HG3 LYS A 7 18.716 -2.476 20.240 1.00 0.00 H ATOM 95 HD2 LYS A 7 17.684 -0.650 21.493 1.00 0.00 H ATOM 96 HD3 LYS A 7 19.075 0.401 21.139 1.00 0.00 H ATOM 97 HE2 LYS A 7 18.151 -0.585 18.664 1.00 0.00 H ATOM 98 HE3 LYS A 7 18.072 1.077 19.294 1.00 0.00 H ATOM 99 HZ1 LYS A 7 15.970 -1.024 19.661 1.00 0.00 H ATOM 100 HZ2 LYS A 7 15.894 0.563 20.263 1.00 0.00 H ATOM 101 HZ3 LYS A 7 15.887 0.289 18.586 1.00 0.00 H ATOM 102 H LYS A 7 21.356 -2.699 23.922 1.00 0.00 H ATOM 103 N PHE A 8 23.149 -1.968 21.411 1.00 8.91 N ATOM 104 CA PHE A 8 24.278 -1.610 20.567 1.00 7.31 C ATOM 105 C PHE A 8 25.047 -2.882 20.170 1.00 7.86 C ATOM 106 O PHE A 8 25.392 -3.080 18.983 1.00 6.59 O ATOM 107 CB PHE A 8 25.214 -0.604 21.262 1.00 7.53 C ATOM 108 CG PHE A 8 26.476 -0.322 20.482 1.00 6.66 C ATOM 109 CD1 PHE A 8 27.591 -1.194 20.568 1.00 7.07 C ATOM 110 CD2 PHE A 8 26.560 0.795 19.663 1.00 6.21 C ATOM 111 CE1 PHE A 8 28.791 -0.946 19.829 1.00 7.53 C ATOM 112 CE2 PHE A 8 27.753 1.067 18.924 1.00 7.57 C ATOM 113 CZ PHE A 8 28.869 0.200 19.001 1.00 6.87 C ATOM 114 HA PHE A 8 23.894 -1.124 19.670 1.00 0.00 H ATOM 115 HB2 PHE A 8 24.675 0.333 21.398 1.00 0.00 H ATOM 116 HB3 PHE A 8 25.492 -1.006 22.236 1.00 0.00 H ATOM 117 HD2 PHE A 8 25.709 1.471 19.582 1.00 0.00 H ATOM 118 HE2 PHE A 8 27.804 1.954 18.293 1.00 0.00 H ATOM 119 HZ PHE A 8 29.774 0.411 18.432 1.00 0.00 H ATOM 120 HE1 PHE A 8 29.635 -1.631 19.903 1.00 0.00 H ATOM 121 HD1 PHE A 8 27.533 -2.072 21.211 1.00 0.00 H ATOM 122 H PHE A 8 23.101 -1.629 22.393 1.00 0.00 H ATOM 123 N GLU A 9 25.336 -3.752 21.139 1.00 7.47 N ATOM 124 CA GLU A 9 26.042 -4.967 20.780 1.00 8.30 C ATOM 125 C GLU A 9 25.250 -5.823 19.751 1.00 7.77 C ATOM 126 O GLU A 9 25.807 -6.333 18.775 1.00 7.83 O ATOM 127 CB GLU A 9 26.331 -5.772 22.036 1.00 9.45 C ATOM 128 CG GLU A 9 27.319 -5.096 22.955 1.00 13.01 C ATOM 129 CD GLU A 9 27.728 -5.984 24.137 1.00 14.58 C ATOM 130 OE1 GLU A 9 28.036 -7.178 23.920 1.00 15.81 O ATOM 131 OE2 GLU A 9 27.737 -5.488 25.280 1.00 16.10 O ATOM 132 HA GLU A 9 26.979 -4.685 20.300 1.00 0.00 H ATOM 133 HB2 GLU A 9 25.397 -5.919 22.578 1.00 0.00 H ATOM 134 HB3 GLU A 9 26.736 -6.741 21.743 1.00 0.00 H ATOM 135 HG2 GLU A 9 28.212 -4.843 22.383 1.00 0.00 H ATOM 136 HG3 GLU A 9 26.867 -4.183 23.344 1.00 0.00 H ATOM 137 H GLU A 9 25.063 -3.564 22.125 1.00 0.00 H ATOM 138 N ARG A 10 23.945 -5.979 19.942 1.00 7.73 N ATOM 139 CA ARG A 10 23.168 -6.785 18.975 1.00 7.93 C ATOM 140 C ARG A 10 23.093 -6.185 17.553 1.00 7.59 C ATOM 141 O ARG A 10 23.174 -6.904 16.551 1.00 7.05 O ATOM 142 CB ARG A 10 21.742 -6.997 19.492 1.00 8.72 C ATOM 143 CG ARG A 10 20.782 -7.589 18.498 1.00 8.49 C ATOM 144 CD ARG A 10 19.378 -7.741 19.097 1.00 10.66 C ATOM 145 NE ARG A 10 18.738 -6.468 19.504 1.00 11.49 N ATOM 146 CZ ARG A 10 18.167 -5.581 18.676 1.00 12.01 C ATOM 147 NH1 ARG A 10 18.131 -5.778 17.352 1.00 10.76 N ATOM 148 NH2 ARG A 10 17.596 -4.488 19.189 1.00 12.35 N ATOM 149 HA ARG A 10 23.707 -7.728 18.891 1.00 0.00 H ATOM 150 HB2 ARG A 10 21.791 -7.664 20.353 1.00 0.00 H ATOM 151 HB3 ARG A 10 21.349 -6.030 19.805 1.00 0.00 H ATOM 152 HG2 ARG A 10 20.727 -6.937 17.626 1.00 0.00 H ATOM 153 HG3 ARG A 10 21.146 -8.570 18.194 1.00 0.00 H ATOM 154 HD2 ARG A 10 19.451 -8.381 19.976 1.00 0.00 H ATOM 155 HD3 ARG A 10 18.741 -8.219 18.353 1.00 0.00 H ATOM 156 HE ARG A 10 18.731 -6.243 20.519 1.00 0.00 H ATOM 157 HH12 ARG A 10 17.681 -5.073 16.733 1.00 0.00 H ATOM 158 HH11 ARG A 10 18.553 -6.636 16.942 1.00 0.00 H ATOM 159 HH22 ARG A 10 17.149 -3.791 18.560 1.00 0.00 H ATOM 160 HH21 ARG A 10 17.598 -4.334 20.218 1.00 0.00 H ATOM 161 H ARG A 10 23.476 -5.541 20.760 1.00 0.00 H ATOM 162 N GLN A 11 22.907 -4.877 17.464 1.00 7.03 N ATOM 163 CA GLN A 11 22.807 -4.265 16.148 1.00 7.61 C ATOM 164 C GLN A 11 24.149 -4.039 15.462 1.00 7.36 C ATOM 165 O GLN A 11 24.207 -4.105 14.244 1.00 7.24 O ATOM 166 CB GLN A 11 22.123 -2.901 16.229 1.00 7.43 C ATOM 167 CG GLN A 11 20.756 -2.903 16.855 1.00 8.63 C ATOM 168 CD GLN A 11 20.032 -1.595 16.605 1.00 10.57 C ATOM 169 OE1 GLN A 11 18.967 -1.575 16.001 1.00 12.62 O ATOM 170 NE2 GLN A 11 20.614 -0.491 17.059 1.00 10.72 N ATOM 171 HA GLN A 11 22.229 -4.980 15.563 1.00 0.00 H ATOM 172 HB2 GLN A 11 22.761 -2.239 16.814 1.00 0.00 H ATOM 173 HB3 GLN A 11 22.029 -2.511 15.216 1.00 0.00 H ATOM 174 HG2 GLN A 11 20.172 -3.719 16.430 1.00 0.00 H ATOM 175 HG3 GLN A 11 20.858 -3.053 17.930 1.00 0.00 H ATOM 176 HE22 GLN A 11 21.519 -0.552 17.567 1.00 0.00 H ATOM 177 HE21 GLN A 11 20.165 0.434 16.906 1.00 0.00 H ATOM 178 H GLN A 11 22.833 -4.295 18.323 1.00 0.00 H ATOM 179 N HIS A 12 25.214 -3.783 16.221 1.00 6.89 N ATOM 180 CA HIS A 12 26.500 -3.416 15.605 1.00 7.63 C ATOM 181 C HIS A 12 27.772 -4.248 15.766 1.00 7.84 C ATOM 182 O HIS A 12 28.758 -4.004 15.077 1.00 9.21 O ATOM 183 CB HIS A 12 26.834 -1.978 16.028 1.00 7.15 C ATOM 184 CG HIS A 12 25.718 -1.010 15.792 1.00 7.23 C ATOM 185 ND1 HIS A 12 25.254 -0.656 14.541 1.00 6.59 N ATOM 186 CD2 HIS A 12 24.911 -0.376 16.681 1.00 6.62 C ATOM 187 CE1 HIS A 12 24.204 0.152 14.692 1.00 7.24 C ATOM 188 NE2 HIS A 12 23.955 0.351 15.972 1.00 8.61 N ATOM 189 HA HIS A 12 26.269 -3.603 14.556 1.00 0.00 H ATOM 190 HB2 HIS A 12 27.072 -1.978 17.092 1.00 0.00 H ATOM 191 HB3 HIS A 12 27.704 -1.645 15.462 1.00 0.00 H ATOM 192 HD2 HIS A 12 24.996 -0.427 17.766 1.00 0.00 H ATOM 193 HE1 HIS A 12 23.632 0.587 13.873 1.00 0.00 H ATOM 194 H HIS A 12 25.136 -3.843 17.256 1.00 0.00 H ATOM 195 N MET A 13 27.802 -5.213 16.666 1.00 8.46 N ATOM 196 CA MET A 13 29.050 -5.937 16.850 1.00 8.69 C ATOM 197 C MET A 13 29.068 -7.299 16.154 1.00 9.86 C ATOM 198 O MET A 13 28.126 -8.094 16.308 1.00 9.92 O ATOM 199 CB MET A 13 29.305 -6.154 18.351 1.00 9.03 C ATOM 200 CG MET A 13 29.620 -4.899 19.155 1.00 8.61 C ATOM 201 SD MET A 13 31.153 -4.071 18.583 1.00 11.39 S ATOM 202 CE MET A 13 32.431 -5.398 18.521 1.00 10.51 C ATOM 203 HA MET A 13 29.830 -5.325 16.398 1.00 0.00 H ATOM 204 HB2 MET A 13 28.414 -6.612 18.780 1.00 0.00 H ATOM 205 HB3 MET A 13 30.148 -6.838 18.453 1.00 0.00 H ATOM 206 HG2 MET A 13 29.740 -5.175 20.203 1.00 0.00 H ATOM 207 HG3 MET A 13 28.788 -4.202 19.057 1.00 0.00 H ATOM 208 HE1 MET A 13 32.556 -5.827 19.515 1.00 0.00 H ATOM 209 HE2 MET A 13 32.113 -6.175 17.826 1.00 0.00 H ATOM 210 HE3 MET A 13 33.377 -4.974 18.186 1.00 0.00 H ATOM 211 H MET A 13 26.958 -5.449 17.227 1.00 0.00 H ATOM 212 N ASP A 14 30.109 -7.559 15.374 1.00 10.11 N ATOM 213 CA ASP A 14 30.266 -8.874 14.754 1.00 11.97 C ATOM 214 C ASP A 14 31.768 -9.079 14.713 1.00 13.48 C ATOM 215 O ASP A 14 32.381 -9.127 13.640 1.00 12.24 O ATOM 216 CB ASP A 14 29.621 -8.959 13.354 1.00 11.15 C ATOM 217 CG ASP A 14 29.619 -10.387 12.818 1.00 11.88 C ATOM 218 OD1 ASP A 14 29.847 -11.310 13.640 1.00 12.56 O ATOM 219 OD2 ASP A 14 29.409 -10.598 11.619 1.00 12.22 O ATOM 220 HA ASP A 14 29.753 -9.655 15.316 1.00 0.00 H ATOM 221 HB2 ASP A 14 28.592 -8.604 13.417 1.00 0.00 H ATOM 222 HB3 ASP A 14 30.182 -8.325 12.668 1.00 0.00 H ATOM 223 H ASP A 14 30.821 -6.820 15.202 1.00 0.00 H ATOM 224 N SER A 15 32.329 -9.103 15.911 1.00 17.16 N ATOM 225 CA SER A 15 33.750 -9.252 16.117 1.00 20.96 C ATOM 226 C SER A 15 34.123 -10.433 15.335 1.00 23.00 C ATOM 227 O SER A 15 33.621 -11.553 15.553 1.00 23.28 O ATOM 228 CB SER A 15 34.096 -9.435 17.586 1.00 20.38 C ATOM 229 OG SER A 15 33.392 -8.503 18.386 1.00 21.38 O ATOM 230 HA SER A 15 34.293 -8.361 15.803 1.00 0.00 H ATOM 231 HB2 SER A 15 35.167 -9.287 17.723 1.00 0.00 H ATOM 232 HB3 SER A 15 33.828 -10.446 17.894 1.00 0.00 H ATOM 233 HG SER A 15 33.636 -7.584 18.111 1.00 0.00 H ATOM 234 H SER A 15 31.716 -9.010 16.746 1.00 0.00 H ATOM 235 N GLY A 16 35.097 -10.216 14.485 1.00 26.82 N ATOM 236 CA GLY A 16 35.544 -11.226 13.557 1.00 30.22 C ATOM 237 C GLY A 16 36.801 -10.734 12.880 1.00 31.50 C ATOM 238 O GLY A 16 36.926 -10.777 11.662 1.00 34.30 O ATOM 239 HA3 GLY A 16 34.771 -11.407 12.810 1.00 0.00 H ATOM 240 HA2 GLY A 16 35.753 -12.151 14.093 1.00 0.00 H ATOM 241 H GLY A 16 35.562 -9.286 14.479 1.00 0.00 H TER 242 GLY A 16 ATOM 243 N SER A 22 31.048 -12.188 1.607 1.00 29.65 N ATOM 244 CA SER A 22 29.954 -12.651 0.762 1.00 28.85 C ATOM 245 C SER A 22 28.828 -11.604 0.600 1.00 27.45 C ATOM 246 O SER A 22 28.432 -10.927 1.549 1.00 26.71 O ATOM 247 CB SER A 22 29.395 -13.945 1.349 1.00 30.19 C ATOM 248 OG SER A 22 28.783 -13.697 2.610 1.00 32.50 O ATOM 249 HA SER A 22 30.354 -12.822 -0.237 1.00 0.00 H ATOM 250 HB2 SER A 22 30.207 -14.661 1.479 1.00 0.00 H ATOM 251 HB3 SER A 22 28.654 -14.358 0.665 1.00 0.00 H ATOM 252 HG SER A 22 28.043 -13.050 2.495 1.00 0.00 H ATOM 253 HN3 SER A 22 30.683 -11.968 2.556 1.00 0.00 H ATOM 254 HN2 SER A 22 31.469 -11.334 1.190 1.00 0.00 H ATOM 255 HN1 SER A 22 31.770 -12.933 1.677 1.00 0.00 H ATOM 256 N SER A 23 28.299 -11.491 -0.605 1.00 25.41 N ATOM 257 CA SER A 23 27.268 -10.503 -0.863 1.00 24.18 C ATOM 258 C SER A 23 25.962 -10.695 -0.073 1.00 22.42 C ATOM 259 O SER A 23 25.152 -9.768 -0.005 1.00 22.30 O ATOM 260 CB SER A 23 26.973 -10.443 -2.379 1.00 25.07 C ATOM 261 OG SER A 23 26.752 -11.745 -2.911 1.00 27.06 O ATOM 262 HA SER A 23 27.674 -9.557 -0.506 1.00 0.00 H ATOM 263 HB2 SER A 23 27.822 -9.989 -2.889 1.00 0.00 H ATOM 264 HB3 SER A 23 26.084 -9.835 -2.545 1.00 0.00 H ATOM 265 HG SER A 23 27.559 -12.300 -2.767 1.00 0.00 H ATOM 266 H SER A 23 28.623 -12.113 -1.373 1.00 0.00 H ATOM 267 N ASN A 24 25.750 -11.871 0.523 1.00 19.90 N ATOM 268 CA ASN A 24 24.515 -12.085 1.286 1.00 18.12 C ATOM 269 C ASN A 24 24.674 -11.808 2.781 1.00 15.65 C ATOM 270 O ASN A 24 23.724 -11.995 3.549 1.00 14.48 O ATOM 271 CB ASN A 24 23.988 -13.517 1.100 1.00 19.98 C ATOM 272 CG ASN A 24 22.887 -13.588 0.067 1.00 23.47 C ATOM 273 OD1 ASN A 24 22.029 -12.693 0.018 1.00 24.75 O ATOM 274 ND2 ASN A 24 22.899 -14.644 -0.781 1.00 24.12 N ATOM 275 HA ASN A 24 23.799 -11.367 0.886 1.00 0.00 H ATOM 276 HB2 ASN A 24 24.811 -14.156 0.781 1.00 0.00 H ATOM 277 HB3 ASN A 24 23.600 -13.875 2.053 1.00 0.00 H ATOM 278 HD22 ASN A 24 23.641 -15.369 -0.699 1.00 0.00 H ATOM 279 HD21 ASN A 24 22.167 -14.730 -1.514 1.00 0.00 H ATOM 280 H ASN A 24 26.456 -12.631 0.447 1.00 0.00 H ATOM 281 N TYR A 25 25.859 -11.362 3.185 1.00 12.43 N ATOM 282 CA TYR A 25 26.135 -11.096 4.600 1.00 11.17 C ATOM 283 C TYR A 25 25.075 -10.249 5.304 1.00 10.52 C ATOM 284 O TYR A 25 24.548 -10.639 6.362 1.00 9.73 O ATOM 285 CB TYR A 25 27.493 -10.409 4.759 1.00 10.48 C ATOM 286 CG TYR A 25 27.777 -9.969 6.168 1.00 10.15 C ATOM 287 CD1 TYR A 25 28.341 -10.846 7.084 1.00 9.97 C ATOM 288 CD2 TYR A 25 27.487 -8.679 6.592 1.00 9.62 C ATOM 289 CE1 TYR A 25 28.613 -10.445 8.397 1.00 9.94 C ATOM 290 CE2 TYR A 25 27.751 -8.270 7.899 1.00 9.20 C ATOM 291 CZ TYR A 25 28.319 -9.154 8.797 1.00 10.02 C ATOM 292 OH TYR A 25 28.628 -8.771 10.090 1.00 8.50 O ATOM 293 HA TYR A 25 26.128 -12.076 5.078 1.00 0.00 H ATOM 294 HB3 TYR A 25 27.515 -9.532 4.112 1.00 0.00 H ATOM 295 HB2 TYR A 25 28.272 -11.107 4.451 1.00 0.00 H ATOM 296 HD2 TYR A 25 27.045 -7.972 5.890 1.00 0.00 H ATOM 297 HE2 TYR A 25 27.510 -7.254 8.212 1.00 0.00 H ATOM 298 HE1 TYR A 25 29.055 -11.148 9.103 1.00 0.00 H ATOM 299 HD1 TYR A 25 28.576 -11.865 6.775 1.00 0.00 H ATOM 300 HH TYR A 25 29.024 -9.538 10.575 1.00 0.00 H ATOM 301 H TYR A 25 26.607 -11.198 2.482 1.00 0.00 H ATOM 302 N CYS A 26 24.746 -9.097 4.720 1.00 9.23 N ATOM 303 CA CYS A 26 23.762 -8.213 5.341 1.00 8.33 C ATOM 304 C CYS A 26 22.393 -8.841 5.388 1.00 7.58 C ATOM 305 O CYS A 26 21.680 -8.683 6.364 1.00 8.43 O ATOM 306 CB CYS A 26 23.712 -6.865 4.617 1.00 7.77 C ATOM 307 SG CYS A 26 25.209 -5.875 4.950 1.00 8.35 S ATOM 308 HA CYS A 26 24.080 -8.045 6.370 1.00 0.00 H ATOM 309 HB2 CYS A 26 22.837 -6.311 4.958 1.00 0.00 H ATOM 310 HB3 CYS A 26 23.634 -7.041 3.544 1.00 0.00 H ATOM 311 HG CYS A 26 26.088 -6.905 5.217 1.00 0.00 H ATOM 312 H CYS A 26 25.191 -8.826 3.820 1.00 0.00 H ATOM 313 N ASN A 27 22.008 -9.545 4.341 1.00 7.60 N ATOM 314 CA ASN A 27 20.705 -10.192 4.335 1.00 8.91 C ATOM 315 C ASN A 27 20.592 -11.189 5.496 1.00 8.62 C ATOM 316 O ASN A 27 19.580 -11.263 6.167 1.00 9.13 O ATOM 317 CB ASN A 27 20.486 -10.899 3.010 1.00 8.55 C ATOM 318 CG ASN A 27 20.146 -9.941 1.925 1.00 9.36 C ATOM 319 OD1 ASN A 27 19.580 -8.871 2.178 1.00 7.85 O ATOM 320 ND2 ASN A 27 20.482 -10.308 0.697 1.00 8.82 N ATOM 321 HA ASN A 27 19.936 -9.430 4.462 1.00 0.00 H ATOM 322 HB2 ASN A 27 21.397 -11.432 2.739 1.00 0.00 H ATOM 323 HB3 ASN A 27 19.669 -11.612 3.121 1.00 0.00 H ATOM 324 HD22 ASN A 27 20.957 -11.219 0.538 1.00 0.00 H ATOM 325 HD21 ASN A 27 20.271 -9.685 -0.108 1.00 0.00 H ATOM 326 H ASN A 27 22.637 -9.638 3.518 1.00 0.00 H ATOM 327 N LEU A 28 21.642 -11.942 5.752 1.00 9.56 N ATOM 328 CA LEU A 28 21.590 -12.889 6.868 1.00 10.02 C ATOM 329 C LEU A 28 21.611 -12.181 8.226 1.00 8.72 C ATOM 330 O LEU A 28 20.762 -12.426 9.065 1.00 9.14 O ATOM 331 CB LEU A 28 22.775 -13.859 6.795 1.00 11.77 C ATOM 332 CG LEU A 28 22.819 -14.828 7.981 1.00 12.49 C ATOM 333 CD1 LEU A 28 21.577 -15.725 8.028 1.00 12.66 C ATOM 334 CD2 LEU A 28 24.073 -15.640 7.831 1.00 13.65 C ATOM 335 HA LEU A 28 20.650 -13.433 6.780 1.00 0.00 H ATOM 336 HB2 LEU A 28 22.697 -14.437 5.874 1.00 0.00 H ATOM 337 HB3 LEU A 28 23.699 -13.281 6.782 1.00 0.00 H ATOM 338 HG LEU A 28 22.823 -14.277 8.922 1.00 0.00 H ATOM 339 HD21 LEU A 28 24.041 -16.184 6.887 1.00 0.00 H ATOM 340 HD22 LEU A 28 24.937 -14.976 7.841 1.00 0.00 H ATOM 341 HD23 LEU A 28 24.147 -16.347 8.657 1.00 0.00 H ATOM 342 HD11 LEU A 28 20.686 -15.105 8.124 1.00 0.00 H ATOM 343 HD12 LEU A 28 21.517 -16.309 7.110 1.00 0.00 H ATOM 344 HD13 LEU A 28 21.648 -16.397 8.883 1.00 0.00 H ATOM 345 H LEU A 28 22.499 -11.865 5.168 1.00 0.00 H ATOM 346 N MET A 29 22.579 -11.277 8.402 1.00 8.39 N ATOM 347 CA MET A 29 22.772 -10.578 9.663 1.00 7.90 C ATOM 348 C MET A 29 21.676 -9.652 10.081 1.00 7.47 C ATOM 349 O MET A 29 21.353 -9.596 11.245 1.00 8.18 O ATOM 350 CB MET A 29 24.095 -9.826 9.644 1.00 7.16 C ATOM 351 CG MET A 29 25.303 -10.772 9.590 1.00 7.70 C ATOM 352 SD MET A 29 25.344 -12.165 10.755 1.00 10.08 S ATOM 353 CE MET A 29 25.646 -11.312 12.313 1.00 8.74 C ATOM 354 HA MET A 29 22.768 -11.369 10.412 1.00 0.00 H ATOM 355 HB2 MET A 29 24.118 -9.178 8.768 1.00 0.00 H ATOM 356 HB3 MET A 29 24.166 -9.218 10.546 1.00 0.00 H ATOM 357 HG2 MET A 29 26.194 -10.171 9.770 1.00 0.00 H ATOM 358 HG3 MET A 29 25.345 -11.189 8.584 1.00 0.00 H ATOM 359 HE1 MET A 29 26.590 -10.770 12.252 1.00 0.00 H ATOM 360 HE2 MET A 29 24.834 -10.610 12.505 1.00 0.00 H ATOM 361 HE3 MET A 29 25.696 -12.041 13.121 1.00 0.00 H ATOM 362 H MET A 29 23.218 -11.065 7.609 1.00 0.00 H ATOM 363 N MET A 30 21.113 -8.903 9.146 1.00 7.75 N ATOM 364 CA MET A 30 20.022 -8.008 9.500 1.00 7.37 C ATOM 365 C MET A 30 18.847 -8.826 10.011 1.00 8.12 C ATOM 366 O MET A 30 18.108 -8.383 10.876 1.00 7.24 O ATOM 367 CB MET A 30 19.613 -7.167 8.282 1.00 6.82 C ATOM 368 CG MET A 30 20.675 -6.127 7.887 1.00 6.87 C ATOM 369 SD MET A 30 21.126 -4.934 9.200 1.00 6.91 S ATOM 370 CE MET A 30 19.631 -3.873 9.133 1.00 7.63 C ATOM 371 HA MET A 30 20.347 -7.327 10.287 1.00 0.00 H ATOM 372 HB2 MET A 30 19.450 -7.836 7.437 1.00 0.00 H ATOM 373 HB3 MET A 30 18.685 -6.645 8.515 1.00 0.00 H ATOM 374 HG2 MET A 30 20.295 -5.563 7.035 1.00 0.00 H ATOM 375 HG3 MET A 30 21.578 -6.662 7.593 1.00 0.00 H ATOM 376 HE1 MET A 30 19.539 -3.439 8.137 1.00 0.00 H ATOM 377 HE2 MET A 30 18.749 -4.476 9.351 1.00 0.00 H ATOM 378 HE3 MET A 30 19.719 -3.076 9.871 1.00 0.00 H ATOM 379 H MET A 30 21.449 -8.954 8.163 1.00 0.00 H TER 380 MET A 30 ATOM 381 N ARG A 33 19.914 -10.678 13.596 1.00 9.22 N ATOM 382 CA ARG A 33 20.017 -9.671 14.666 1.00 9.75 C ATOM 383 C ARG A 33 18.710 -8.909 14.887 1.00 10.68 C ATOM 384 O ARG A 33 18.677 -7.902 15.594 1.00 11.18 O ATOM 385 CB ARG A 33 21.182 -8.692 14.402 1.00 8.74 C ATOM 386 CG ARG A 33 22.529 -9.367 14.328 1.00 6.70 C ATOM 387 CD ARG A 33 22.885 -10.057 15.633 1.00 6.44 C ATOM 388 NE ARG A 33 24.240 -10.608 15.528 1.00 7.65 N ATOM 389 CZ ARG A 33 25.350 -9.915 15.733 1.00 6.60 C ATOM 390 NH1 ARG A 33 25.282 -8.636 16.056 1.00 8.01 N ATOM 391 NH2 ARG A 33 26.527 -10.484 15.560 1.00 6.72 N ATOM 392 HA ARG A 33 20.225 -10.219 15.585 1.00 0.00 H ATOM 393 HB2 ARG A 33 20.998 -8.183 13.456 1.00 0.00 H ATOM 394 HB3 ARG A 33 21.207 -7.959 15.208 1.00 0.00 H ATOM 395 HG2 ARG A 33 22.509 -10.109 13.530 1.00 0.00 H ATOM 396 HG3 ARG A 33 23.288 -8.617 14.106 1.00 0.00 H ATOM 397 HD2 ARG A 33 22.177 -10.863 15.826 1.00 0.00 H ATOM 398 HD3 ARG A 33 22.845 -9.337 16.450 1.00 0.00 H ATOM 399 HE ARG A 33 24.336 -11.612 15.275 1.00 0.00 H ATOM 400 HH12 ARG A 33 26.154 -8.093 16.217 1.00 0.00 H ATOM 401 HH11 ARG A 33 24.356 -8.172 16.150 1.00 0.00 H ATOM 402 HH22 ARG A 33 27.397 -9.938 15.722 1.00 0.00 H ATOM 403 HH21 ARG A 33 26.585 -11.479 15.262 1.00 0.00 H ATOM 404 HN3 ARG A 33 19.663 -10.208 12.703 1.00 0.00 H ATOM 405 HN2 ARG A 33 19.179 -11.371 13.843 1.00 0.00 H ATOM 406 HN1 ARG A 33 20.828 -11.164 13.489 1.00 0.00 H ATOM 407 N LYS A 34 17.638 -9.413 14.286 1.00 11.39 N ATOM 408 CA LYS A 34 16.294 -8.851 14.443 1.00 12.70 C ATOM 409 C LYS A 34 16.098 -7.392 14.032 1.00 12.83 C ATOM 410 O LYS A 34 15.380 -6.637 14.690 1.00 13.68 O ATOM 411 CB LYS A 34 15.848 -9.039 15.891 1.00 14.93 C ATOM 412 CG LYS A 34 16.027 -10.454 16.394 1.00 16.95 C ATOM 413 CD LYS A 34 14.867 -11.295 15.943 1.00 19.79 C ATOM 414 CE LYS A 34 15.148 -12.790 16.137 1.00 22.38 C ATOM 415 NZ LYS A 34 14.174 -13.653 15.358 1.00 24.67 N ATOM 416 HA LYS A 34 15.679 -9.406 13.734 1.00 0.00 H ATOM 417 HB2 LYS A 34 16.433 -8.370 16.523 1.00 0.00 H ATOM 418 HB3 LYS A 34 14.793 -8.776 15.965 1.00 0.00 H ATOM 419 HG2 LYS A 34 16.953 -10.868 15.995 1.00 0.00 H ATOM 420 HG3 LYS A 34 16.072 -10.450 17.483 1.00 0.00 H ATOM 421 HD2 LYS A 34 13.985 -11.022 16.522 1.00 0.00 H ATOM 422 HD3 LYS A 34 14.680 -11.104 14.886 1.00 0.00 H ATOM 423 HE2 LYS A 34 15.063 -13.030 17.197 1.00 0.00 H ATOM 424 HE3 LYS A 34 16.161 -13.006 15.797 1.00 0.00 H ATOM 425 HZ1 LYS A 34 13.205 -13.458 15.681 1.00 0.00 H ATOM 426 HZ2 LYS A 34 14.253 -13.435 14.344 1.00 0.00 H ATOM 427 HZ3 LYS A 34 14.398 -14.656 15.516 1.00 0.00 H ATOM 428 H LYS A 34 17.758 -10.246 13.675 1.00 0.00 H ATOM 429 N MET A 35 16.745 -6.987 12.942 1.00 11.73 N ATOM 430 CA MET A 35 16.606 -5.620 12.462 1.00 11.20 C ATOM 431 C MET A 35 15.664 -5.596 11.264 1.00 11.23 C ATOM 432 O MET A 35 15.578 -4.615 10.551 1.00 10.62 O ATOM 433 CB MET A 35 17.985 -5.018 12.157 1.00 9.82 C ATOM 434 CG MET A 35 18.630 -4.476 13.413 1.00 7.79 C ATOM 435 SD MET A 35 20.300 -3.850 13.186 1.00 8.91 S ATOM 436 CE MET A 35 21.261 -5.378 13.023 1.00 8.28 C ATOM 437 HA MET A 35 16.162 -4.993 13.235 1.00 0.00 H ATOM 438 HB2 MET A 35 18.626 -5.791 11.732 1.00 0.00 H ATOM 439 HB3 MET A 35 17.869 -4.208 11.437 1.00 0.00 H ATOM 440 HG2 MET A 35 18.664 -5.277 14.151 1.00 0.00 H ATOM 441 HG3 MET A 35 18.010 -3.663 13.790 1.00 0.00 H ATOM 442 HE1 MET A 35 21.149 -5.975 13.928 1.00 0.00 H ATOM 443 HE2 MET A 35 20.898 -5.944 12.166 1.00 0.00 H ATOM 444 HE3 MET A 35 22.313 -5.131 12.878 1.00 0.00 H ATOM 445 H MET A 35 17.356 -7.654 12.428 1.00 0.00 H ATOM 446 N THR A 36 14.954 -6.706 11.062 1.00 11.80 N ATOM 447 CA THR A 36 13.944 -6.792 10.018 1.00 12.69 C ATOM 448 C THR A 36 12.577 -7.194 10.618 1.00 13.53 C ATOM 449 O THR A 36 11.742 -7.779 9.904 1.00 14.38 O ATOM 450 CB THR A 36 14.329 -7.762 8.889 1.00 12.47 C ATOM 451 OG1 THR A 36 14.460 -9.093 9.400 1.00 12.42 O ATOM 452 CG2 THR A 36 15.644 -7.332 8.272 1.00 12.42 C ATOM 453 HA THR A 36 13.872 -5.799 9.575 1.00 0.00 H ATOM 454 HB THR A 36 13.545 -7.746 8.132 1.00 0.00 H ATOM 455 HG1 THR A 36 14.708 -9.705 8.663 1.00 0.00 H ATOM 456 HG23 THR A 36 15.547 -6.319 7.882 1.00 0.00 H ATOM 457 HG21 THR A 36 16.426 -7.357 9.031 1.00 0.00 H ATOM 458 HG22 THR A 36 15.902 -8.012 7.460 1.00 0.00 H ATOM 459 H THR A 36 15.127 -7.534 11.668 1.00 0.00 H ATOM 460 N GLN A 37 12.347 -6.925 11.910 1.00 14.73 N ATOM 461 CA GLN A 37 11.004 -7.248 12.416 1.00 16.94 C ATOM 462 C GLN A 37 10.188 -5.983 12.660 1.00 16.34 C ATOM 463 O GLN A 37 10.636 -5.035 13.298 1.00 17.09 O ATOM 464 CB GLN A 37 11.009 -8.206 13.617 1.00 18.59 C ATOM 465 CG GLN A 37 11.663 -7.888 14.861 1.00 23.23 C ATOM 466 CD GLN A 37 11.523 -9.052 15.821 1.00 24.73 C ATOM 467 OE1 GLN A 37 11.637 -10.237 15.440 1.00 27.74 O ATOM 468 NE2 GLN A 37 11.119 -8.725 17.029 1.00 26.73 N ATOM 469 HA GLN A 37 10.502 -7.809 11.628 1.00 0.00 H ATOM 470 HB2 GLN A 37 9.963 -8.388 13.863 1.00 0.00 H ATOM 471 HB3 GLN A 37 11.464 -9.131 13.264 1.00 0.00 H ATOM 472 HG2 GLN A 37 12.720 -7.695 14.677 1.00 0.00 H ATOM 473 HG3 GLN A 37 11.203 -7.001 15.297 1.00 0.00 H ATOM 474 HE22 GLN A 37 11.041 -7.723 17.298 1.00 0.00 H ATOM 475 HE21 GLN A 37 10.878 -9.468 17.716 1.00 0.00 H ATOM 476 H GLN A 37 13.078 -6.510 12.522 1.00 0.00 H ATOM 477 N GLY A 38 9.032 -5.963 12.012 1.00 15.94 N ATOM 478 CA GLY A 38 8.154 -4.808 12.028 1.00 14.89 C ATOM 479 C GLY A 38 8.429 -3.945 10.789 1.00 14.66 C ATOM 480 O GLY A 38 7.519 -3.463 10.105 1.00 15.13 O ATOM 481 HA3 GLY A 38 8.339 -4.222 12.928 1.00 0.00 H ATOM 482 HA2 GLY A 38 7.116 -5.139 12.018 1.00 0.00 H ATOM 483 H GLY A 38 8.744 -6.805 11.473 1.00 0.00 H ATOM 484 N LYS A 39 9.706 -3.743 10.469 1.00 12.80 N ATOM 485 CA LYS A 39 10.073 -2.956 9.337 1.00 11.00 C ATOM 486 C LYS A 39 11.517 -3.330 9.018 1.00 10.99 C ATOM 487 O LYS A 39 12.190 -3.975 9.816 1.00 10.53 O ATOM 488 CB LYS A 39 9.973 -1.470 9.667 1.00 10.82 C ATOM 489 CG LYS A 39 11.231 -0.914 10.292 1.00 11.72 C ATOM 490 CD LYS A 39 11.131 0.566 10.623 1.00 12.64 C ATOM 491 CE LYS A 39 10.842 1.401 9.395 1.00 13.29 C ATOM 492 NZ LYS A 39 11.843 2.490 9.270 1.00 13.53 N ATOM 493 HA LYS A 39 9.413 -3.144 8.490 1.00 0.00 H ATOM 494 HB2 LYS A 39 9.772 -0.923 8.746 1.00 0.00 H ATOM 495 HB3 LYS A 39 9.146 -1.324 10.362 1.00 0.00 H ATOM 496 HG2 LYS A 39 11.433 -1.462 11.212 1.00 0.00 H ATOM 497 HG3 LYS A 39 12.057 -1.059 9.596 1.00 0.00 H ATOM 498 HD2 LYS A 39 10.328 0.712 11.346 1.00 0.00 H ATOM 499 HD3 LYS A 39 12.075 0.894 11.059 1.00 0.00 H ATOM 500 HE2 LYS A 39 9.846 1.835 9.480 1.00 0.00 H ATOM 501 HE3 LYS A 39 10.886 0.767 8.509 1.00 0.00 H ATOM 502 HZ1 LYS A 39 11.800 3.097 10.113 1.00 0.00 H ATOM 503 HZ2 LYS A 39 12.794 2.077 9.186 1.00 0.00 H ATOM 504 HZ3 LYS A 39 11.634 3.056 8.423 1.00 0.00 H ATOM 505 H LYS A 39 10.451 -4.168 11.057 1.00 0.00 H ATOM 506 N CYS A 40 11.981 -2.956 7.833 1.00 10.05 N ATOM 507 CA CYS A 40 13.368 -3.207 7.476 1.00 9.84 C ATOM 508 C CYS A 40 14.160 -1.986 7.979 1.00 9.71 C ATOM 509 O CYS A 40 13.856 -0.859 7.594 1.00 10.22 O ATOM 510 CB CYS A 40 13.549 -3.305 5.957 1.00 10.14 C ATOM 511 SG CYS A 40 12.419 -4.432 5.066 1.00 11.88 S ATOM 512 HA CYS A 40 13.703 -4.148 7.913 1.00 0.00 H ATOM 513 HB2 CYS A 40 14.568 -3.641 5.767 1.00 0.00 H ATOM 514 HB3 CYS A 40 13.414 -2.306 5.543 1.00 0.00 H ATOM 515 HG CYS A 40 11.388 -3.913 5.823 1.00 0.00 H ATOM 516 H CYS A 40 11.350 -2.481 7.156 1.00 0.00 H ATOM 517 N LYS A 41 15.140 -2.189 8.857 1.00 9.59 N ATOM 518 CA LYS A 41 15.957 -1.057 9.291 1.00 9.68 C ATOM 519 C LYS A 41 16.627 -0.631 7.969 1.00 9.52 C ATOM 520 O LYS A 41 17.268 -1.435 7.309 1.00 10.26 O ATOM 521 CB LYS A 41 17.004 -1.495 10.310 1.00 8.95 C ATOM 522 CG LYS A 41 17.872 -0.350 10.768 1.00 8.81 C ATOM 523 CD LYS A 41 18.696 -0.715 11.973 1.00 9.35 C ATOM 524 CE LYS A 41 19.518 0.507 12.362 1.00 9.61 C ATOM 525 NZ LYS A 41 20.192 0.197 13.611 1.00 12.20 N ATOM 526 HA LYS A 41 15.390 -0.265 9.781 1.00 0.00 H ATOM 527 HB2 LYS A 41 16.495 -1.918 11.176 1.00 0.00 H ATOM 528 HB3 LYS A 41 17.638 -2.256 9.856 1.00 0.00 H ATOM 529 HG2 LYS A 41 18.542 -0.069 9.955 1.00 0.00 H ATOM 530 HG3 LYS A 41 17.234 0.497 11.021 1.00 0.00 H ATOM 531 HD2 LYS A 41 18.042 -1.000 12.797 1.00 0.00 H ATOM 532 HD3 LYS A 41 19.358 -1.546 11.732 1.00 0.00 H ATOM 533 HE2 LYS A 41 18.865 1.369 12.495 1.00 0.00 H ATOM 534 HE3 LYS A 41 20.252 0.725 11.586 1.00 0.00 H ATOM 535 HZ1 LYS A 41 19.484 -0.014 14.343 1.00 0.00 H ATOM 536 HZ2 LYS A 41 20.809 -0.629 13.475 1.00 0.00 H ATOM 537 HZ3 LYS A 41 20.764 1.013 13.906 1.00 0.00 H ATOM 538 H LYS A 41 15.322 -3.143 9.230 1.00 0.00 H ATOM 539 N PRO A 42 16.528 0.646 7.584 1.00 9.58 N ATOM 540 CA PRO A 42 17.156 1.010 6.295 1.00 9.50 C ATOM 541 C PRO A 42 18.687 0.989 6.113 1.00 9.27 C ATOM 542 O PRO A 42 19.176 0.677 5.028 1.00 9.81 O ATOM 543 CB PRO A 42 16.546 2.366 5.960 1.00 9.35 C ATOM 544 CG PRO A 42 15.819 2.823 7.198 1.00 10.53 C ATOM 545 CD PRO A 42 15.857 1.771 8.262 1.00 8.91 C ATOM 546 HA PRO A 42 16.938 0.195 5.605 1.00 0.00 H ATOM 547 HD3 PRO A 42 16.430 2.107 9.127 1.00 0.00 H ATOM 548 HD2 PRO A 42 14.851 1.496 8.579 1.00 0.00 H ATOM 549 HG3 PRO A 42 14.781 3.036 6.944 1.00 0.00 H ATOM 550 HG2 PRO A 42 16.292 3.729 7.575 1.00 0.00 H ATOM 551 HB2 PRO A 42 17.329 3.078 5.698 1.00 0.00 H ATOM 552 HB3 PRO A 42 15.850 2.271 5.127 1.00 0.00 H ATOM 553 N VAL A 43 19.429 1.325 7.156 1.00 9.47 N ATOM 554 CA VAL A 43 20.890 1.328 7.105 1.00 9.26 C ATOM 555 C VAL A 43 21.422 0.865 8.459 1.00 8.40 C ATOM 556 O VAL A 43 20.888 1.231 9.497 1.00 8.58 O ATOM 557 CB VAL A 43 21.422 2.749 6.841 1.00 9.88 C ATOM 558 CG1 VAL A 43 22.981 2.743 6.796 1.00 11.26 C ATOM 559 CG2 VAL A 43 20.852 3.248 5.536 1.00 11.14 C ATOM 560 HA VAL A 43 21.217 0.667 6.302 1.00 0.00 H ATOM 561 HB VAL A 43 21.113 3.414 7.647 1.00 0.00 H ATOM 562 HG11 VAL A 43 23.369 2.388 7.751 1.00 0.00 H ATOM 563 HG12 VAL A 43 23.318 2.082 5.997 1.00 0.00 H ATOM 564 HG13 VAL A 43 23.342 3.754 6.609 1.00 0.00 H ATOM 565 HG21 VAL A 43 21.159 2.583 4.729 1.00 0.00 H ATOM 566 HG22 VAL A 43 19.764 3.267 5.600 1.00 0.00 H ATOM 567 HG23 VAL A 43 21.223 4.254 5.340 1.00 0.00 H ATOM 568 H VAL A 43 18.957 1.596 8.042 1.00 0.00 H ATOM 569 N ASN A 44 22.470 0.063 8.450 1.00 7.29 N ATOM 570 CA ASN A 44 23.044 -0.406 9.701 1.00 7.38 C ATOM 571 C ASN A 44 24.494 -0.720 9.443 1.00 7.80 C ATOM 572 O ASN A 44 24.826 -1.118 8.335 1.00 8.90 O ATOM 573 CB ASN A 44 22.377 -1.694 10.184 1.00 6.99 C ATOM 574 CG ASN A 44 22.847 -2.065 11.539 1.00 7.78 C ATOM 575 OD1 ASN A 44 22.619 -1.313 12.489 1.00 9.04 O ATOM 576 ND2 ASN A 44 23.552 -3.200 11.657 1.00 7.11 N ATOM 577 HA ASN A 44 22.904 0.365 10.459 1.00 0.00 H ATOM 578 HB2 ASN A 44 21.297 -1.548 10.210 1.00 0.00 H ATOM 579 HB3 ASN A 44 22.617 -2.500 9.491 1.00 0.00 H ATOM 580 HD22 ASN A 44 23.716 -3.799 10.823 1.00 0.00 H ATOM 581 HD21 ASN A 44 23.935 -3.481 12.582 1.00 0.00 H ATOM 582 H ASN A 44 22.887 -0.235 7.545 1.00 0.00 H ATOM 583 N THR A 45 25.342 -0.581 10.457 1.00 6.63 N ATOM 584 CA THR A 45 26.760 -0.884 10.313 1.00 7.09 C ATOM 585 C THR A 45 27.174 -1.921 11.351 1.00 7.21 C ATOM 586 O THR A 45 26.771 -1.814 12.527 1.00 6.73 O ATOM 587 CB THR A 45 27.626 0.393 10.536 1.00 7.07 C ATOM 588 OG1 THR A 45 27.247 1.386 9.571 1.00 8.40 O ATOM 589 CG2 THR A 45 29.148 0.088 10.420 1.00 7.59 C ATOM 590 HA THR A 45 26.920 -1.263 9.304 1.00 0.00 H ATOM 591 HB THR A 45 27.446 0.760 11.546 1.00 0.00 H ATOM 592 HG1 THR A 45 27.399 1.033 8.659 1.00 0.00 H ATOM 593 HG23 THR A 45 29.423 -0.666 11.157 1.00 0.00 H ATOM 594 HG21 THR A 45 29.368 -0.283 9.419 1.00 0.00 H ATOM 595 HG22 THR A 45 29.715 1.001 10.603 1.00 0.00 H ATOM 596 H THR A 45 24.985 -0.248 11.375 1.00 0.00 H ATOM 597 N PHE A 46 27.968 -2.915 10.903 1.00 7.04 N ATOM 598 CA PHE A 46 28.519 -3.960 11.786 1.00 6.69 C ATOM 599 C PHE A 46 30.018 -3.667 11.904 1.00 7.33 C ATOM 600 O PHE A 46 30.647 -3.252 10.931 1.00 7.25 O ATOM 601 CB PHE A 46 28.304 -5.363 11.198 1.00 6.15 C ATOM 602 CG PHE A 46 26.894 -5.826 11.293 1.00 6.51 C ATOM 603 CD1 PHE A 46 26.391 -6.315 12.500 1.00 6.33 C ATOM 604 CD2 PHE A 46 26.053 -5.776 10.167 1.00 6.12 C ATOM 605 CE1 PHE A 46 25.054 -6.760 12.586 1.00 6.56 C ATOM 606 CE2 PHE A 46 24.719 -6.214 10.231 1.00 6.88 C ATOM 607 CZ PHE A 46 24.216 -6.712 11.441 1.00 6.17 C ATOM 608 HA PHE A 46 28.021 -3.946 12.755 1.00 0.00 H ATOM 609 HB2 PHE A 46 28.594 -5.347 10.147 1.00 0.00 H ATOM 610 HB3 PHE A 46 28.938 -6.067 11.738 1.00 0.00 H ATOM 611 HD2 PHE A 46 26.444 -5.390 9.226 1.00 0.00 H ATOM 612 HE2 PHE A 46 24.082 -6.167 9.348 1.00 0.00 H ATOM 613 HZ PHE A 46 23.185 -7.061 11.503 1.00 0.00 H ATOM 614 HE1 PHE A 46 24.665 -7.140 13.531 1.00 0.00 H ATOM 615 HD1 PHE A 46 27.033 -6.353 13.380 1.00 0.00 H ATOM 616 H PHE A 46 28.202 -2.946 9.890 1.00 0.00 H ATOM 617 N VAL A 47 30.575 -3.850 13.101 1.00 7.39 N ATOM 618 CA VAL A 47 31.990 -3.583 13.354 1.00 7.81 C ATOM 619 C VAL A 47 32.653 -4.922 13.646 1.00 8.61 C ATOM 620 O VAL A 47 32.177 -5.680 14.488 1.00 8.55 O ATOM 621 CB VAL A 47 32.136 -2.653 14.547 1.00 7.83 C ATOM 622 CG1 VAL A 47 33.594 -2.300 14.765 1.00 6.69 C ATOM 623 CG2 VAL A 47 31.332 -1.393 14.306 1.00 8.08 C ATOM 624 HA VAL A 47 32.457 -3.102 12.495 1.00 0.00 H ATOM 625 HB VAL A 47 31.763 -3.158 15.438 1.00 0.00 H ATOM 626 HG11 VAL A 47 34.163 -3.211 14.952 1.00 0.00 H ATOM 627 HG12 VAL A 47 33.983 -1.803 13.876 1.00 0.00 H ATOM 628 HG13 VAL A 47 33.681 -1.633 15.623 1.00 0.00 H ATOM 629 HG21 VAL A 47 31.700 -0.895 13.409 1.00 0.00 H ATOM 630 HG22 VAL A 47 30.282 -1.653 14.174 1.00 0.00 H ATOM 631 HG23 VAL A 47 31.438 -0.727 15.162 1.00 0.00 H ATOM 632 H VAL A 47 29.982 -4.195 13.883 1.00 0.00 H ATOM 633 N HIS A 48 33.756 -5.202 12.957 1.00 10.16 N ATOM 634 CA HIS A 48 34.427 -6.489 13.125 1.00 12.48 C ATOM 635 C HIS A 48 35.651 -6.512 14.040 1.00 13.41 C ATOM 636 O HIS A 48 36.485 -7.413 13.961 1.00 16.74 O ATOM 637 CB HIS A 48 34.772 -7.026 11.747 1.00 10.98 C ATOM 638 CG HIS A 48 33.605 -7.043 10.820 1.00 10.96 C ATOM 639 ND1 HIS A 48 32.471 -7.790 11.030 1.00 11.04 N ATOM 640 CD2 HIS A 48 33.384 -6.352 9.678 1.00 11.01 C ATOM 641 CE1 HIS A 48 31.622 -7.528 10.045 1.00 10.66 C ATOM 642 NE2 HIS A 48 32.137 -6.660 9.203 1.00 12.11 N ATOM 643 HA HIS A 48 33.718 -7.127 13.653 1.00 0.00 H ATOM 644 HB2 HIS A 48 35.551 -6.398 11.314 1.00 0.00 H ATOM 645 HB3 HIS A 48 35.146 -8.044 11.854 1.00 0.00 H ATOM 646 HD2 HIS A 48 34.086 -5.661 9.211 1.00 0.00 H ATOM 647 HE1 HIS A 48 30.631 -7.972 9.947 1.00 0.00 H ATOM 648 H HIS A 48 34.143 -4.500 12.294 1.00 0.00 H ATOM 649 N GLU A 49 35.751 -5.530 14.920 1.00 14.15 N ATOM 650 CA GLU A 49 36.842 -5.464 15.867 1.00 13.75 C ATOM 651 C GLU A 49 36.343 -6.110 17.172 1.00 14.01 C ATOM 652 O GLU A 49 35.142 -6.372 17.350 1.00 14.27 O ATOM 653 CB GLU A 49 37.237 -3.997 16.079 1.00 13.54 C ATOM 654 CG GLU A 49 37.528 -3.255 14.784 1.00 13.30 C ATOM 655 CD GLU A 49 38.742 -3.822 14.046 1.00 14.89 C ATOM 656 OE1 GLU A 49 39.507 -4.602 14.687 1.00 15.74 O ATOM 657 OE2 GLU A 49 38.944 -3.506 12.853 1.00 13.72 O ATOM 658 HA GLU A 49 37.726 -5.993 15.510 1.00 0.00 H ATOM 659 HB2 GLU A 49 36.420 -3.490 16.592 1.00 0.00 H ATOM 660 HB3 GLU A 49 38.130 -3.966 16.703 1.00 0.00 H ATOM 661 HG2 GLU A 49 36.656 -3.330 14.134 1.00 0.00 H ATOM 662 HG3 GLU A 49 37.717 -2.207 15.016 1.00 0.00 H ATOM 663 H GLU A 49 35.025 -4.785 14.931 1.00 0.00 H ATOM 664 N SER A 50 37.260 -6.387 18.090 1.00 14.19 N ATOM 665 CA SER A 50 36.873 -7.005 19.352 1.00 14.22 C ATOM 666 C SER A 50 35.995 -6.041 20.129 1.00 14.45 C ATOM 667 O SER A 50 36.069 -4.821 19.947 1.00 14.26 O ATOM 668 CB SER A 50 38.117 -7.299 20.176 1.00 15.45 C ATOM 669 OG SER A 50 38.654 -6.069 20.642 1.00 15.69 O ATOM 670 HA SER A 50 36.333 -7.930 19.151 1.00 0.00 H ATOM 671 HB2 SER A 50 38.854 -7.811 19.558 1.00 0.00 H ATOM 672 HB3 SER A 50 37.855 -7.930 21.025 1.00 0.00 H ATOM 673 HG SER A 50 39.465 -6.247 21.181 1.00 0.00 H ATOM 674 H SER A 50 38.259 -6.162 17.908 1.00 0.00 H ATOM 675 N LEU A 51 35.149 -6.590 20.990 1.00 15.08 N ATOM 676 CA LEU A 51 34.275 -5.773 21.803 1.00 15.39 C ATOM 677 C LEU A 51 35.144 -4.843 22.662 1.00 15.22 C ATOM 678 O LEU A 51 34.785 -3.698 22.930 1.00 14.81 O ATOM 679 CB LEU A 51 33.400 -6.671 22.662 1.00 15.69 C ATOM 680 CG LEU A 51 32.480 -5.923 23.595 1.00 16.19 C ATOM 681 CD1 LEU A 51 31.519 -5.010 22.793 1.00 16.11 C ATOM 682 CD2 LEU A 51 31.769 -6.947 24.448 1.00 17.39 C ATOM 683 HA LEU A 51 33.618 -5.165 21.181 1.00 0.00 H ATOM 684 HB2 LEU A 51 32.791 -7.289 22.002 1.00 0.00 H ATOM 685 HB3 LEU A 51 34.049 -7.311 23.260 1.00 0.00 H ATOM 686 HG LEU A 51 33.033 -5.251 24.252 1.00 0.00 H ATOM 687 HD21 LEU A 51 31.198 -7.619 23.807 1.00 0.00 H ATOM 688 HD22 LEU A 51 32.504 -7.520 25.014 1.00 0.00 H ATOM 689 HD23 LEU A 51 31.094 -6.439 25.136 1.00 0.00 H ATOM 690 HD11 LEU A 51 32.100 -4.291 22.216 1.00 0.00 H ATOM 691 HD12 LEU A 51 30.919 -5.620 22.117 1.00 0.00 H ATOM 692 HD13 LEU A 51 30.864 -4.479 23.483 1.00 0.00 H ATOM 693 H LEU A 51 35.113 -7.625 21.082 1.00 0.00 H ATOM 694 N ALA A 52 36.300 -5.328 23.081 1.00 15.53 N ATOM 695 CA ALA A 52 37.221 -4.504 23.878 1.00 15.88 C ATOM 696 C ALA A 52 37.710 -3.282 23.090 1.00 15.73 C ATOM 697 O ALA A 52 37.780 -2.163 23.625 1.00 16.23 O ATOM 698 CB ALA A 52 38.432 -5.348 24.323 1.00 16.02 C ATOM 699 HA ALA A 52 36.676 -4.149 24.753 1.00 0.00 H ATOM 700 HB1 ALA A 52 38.086 -6.187 24.927 1.00 0.00 H ATOM 701 HB2 ALA A 52 38.955 -5.723 23.443 1.00 0.00 H ATOM 702 HB3 ALA A 52 39.108 -4.729 24.913 1.00 0.00 H ATOM 703 H ALA A 52 36.562 -6.306 22.844 1.00 0.00 H ATOM 704 N ASP A 53 38.068 -3.481 21.828 1.00 15.48 N ATOM 705 CA ASP A 53 38.539 -2.354 21.026 1.00 15.54 C ATOM 706 C ASP A 53 37.429 -1.331 20.768 1.00 14.57 C ATOM 707 O ASP A 53 37.689 -0.143 20.661 1.00 13.55 O ATOM 708 CB ASP A 53 39.064 -2.827 19.679 1.00 17.47 C ATOM 709 CG ASP A 53 40.482 -3.374 19.755 1.00 19.78 C ATOM 710 OD1 ASP A 53 41.105 -3.350 20.842 1.00 20.60 O ATOM 711 OD2 ASP A 53 40.969 -3.832 18.704 1.00 21.13 O ATOM 712 HA ASP A 53 39.337 -1.883 21.600 1.00 0.00 H ATOM 713 HB2 ASP A 53 38.407 -3.613 19.306 1.00 0.00 H ATOM 714 HB3 ASP A 53 39.052 -1.986 18.986 1.00 0.00 H ATOM 715 H ASP A 53 38.014 -4.433 21.412 1.00 0.00 H ATOM 716 N VAL A 54 36.195 -1.804 20.624 1.00 13.67 N ATOM 717 CA VAL A 54 35.100 -0.880 20.380 1.00 12.69 C ATOM 718 C VAL A 54 34.742 -0.122 21.668 1.00 12.93 C ATOM 719 O VAL A 54 34.537 1.086 21.628 1.00 12.83 O ATOM 720 CB VAL A 54 33.852 -1.614 19.768 1.00 12.68 C ATOM 721 CG1 VAL A 54 32.648 -0.643 19.703 1.00 12.85 C ATOM 722 CG2 VAL A 54 34.203 -2.135 18.326 1.00 11.96 C ATOM 723 HA VAL A 54 35.428 -0.149 19.641 1.00 0.00 H ATOM 724 HB VAL A 54 33.586 -2.461 20.400 1.00 0.00 H ATOM 725 HG11 VAL A 54 32.406 -0.299 20.708 1.00 0.00 H ATOM 726 HG12 VAL A 54 32.905 0.212 19.077 1.00 0.00 H ATOM 727 HG13 VAL A 54 31.788 -1.160 19.278 1.00 0.00 H ATOM 728 HG21 VAL A 54 34.475 -1.291 17.692 1.00 0.00 H ATOM 729 HG22 VAL A 54 35.040 -2.830 18.386 1.00 0.00 H ATOM 730 HG23 VAL A 54 33.336 -2.643 17.904 1.00 0.00 H ATOM 731 H VAL A 54 36.015 -2.826 20.685 1.00 0.00 H ATOM 732 N LYS A 55 34.687 -0.815 22.810 1.00 13.08 N ATOM 733 CA LYS A 55 34.378 -0.142 24.076 1.00 13.46 C ATOM 734 C LYS A 55 35.436 0.933 24.383 1.00 13.21 C ATOM 735 O LYS A 55 35.113 1.938 25.043 1.00 14.53 O ATOM 736 CB LYS A 55 34.322 -1.140 25.232 1.00 13.31 C ATOM 737 CG LYS A 55 33.123 -1.989 25.193 1.00 14.68 C ATOM 738 CD LYS A 55 33.102 -2.921 26.387 1.00 17.10 C ATOM 739 CE LYS A 55 31.783 -3.705 26.424 1.00 17.56 C ATOM 740 NZ LYS A 55 31.580 -4.405 27.739 1.00 20.22 N ATOM 741 HA LYS A 55 33.400 0.328 23.971 1.00 0.00 H ATOM 742 HB2 LYS A 55 35.204 -1.779 25.184 1.00 0.00 H ATOM 743 HB3 LYS A 55 34.327 -0.587 26.171 1.00 0.00 H ATOM 744 HG2 LYS A 55 32.234 -1.358 25.213 1.00 0.00 H ATOM 745 HG3 LYS A 55 33.129 -2.578 24.276 1.00 0.00 H ATOM 746 HD2 LYS A 55 33.935 -3.620 26.313 1.00 0.00 H ATOM 747 HD3 LYS A 55 33.200 -2.337 27.302 1.00 0.00 H ATOM 748 HE2 LYS A 55 31.793 -4.449 25.627 1.00 0.00 H ATOM 749 HE3 LYS A 55 30.957 -3.012 26.263 1.00 0.00 H ATOM 750 HZ1 LYS A 55 32.360 -5.074 27.898 1.00 0.00 H ATOM 751 HZ2 LYS A 55 31.562 -3.702 28.505 1.00 0.00 H ATOM 752 HZ3 LYS A 55 30.678 -4.922 27.720 1.00 0.00 H ATOM 753 H LYS A 55 34.865 -1.840 22.801 1.00 0.00 H ATOM 754 N ALA A 56 36.671 0.724 23.886 1.00 12.79 N ATOM 755 CA ALA A 56 37.811 1.633 24.095 1.00 12.77 C ATOM 756 C ALA A 56 37.675 2.957 23.392 1.00 13.10 C ATOM 757 O ALA A 56 38.401 3.911 23.697 1.00 14.11 O ATOM 758 CB ALA A 56 39.077 0.978 23.633 1.00 12.91 C ATOM 759 HA ALA A 56 37.834 1.837 25.166 1.00 0.00 H ATOM 760 HB1 ALA A 56 39.238 0.062 24.201 1.00 0.00 H ATOM 761 HB2 ALA A 56 38.996 0.740 22.572 1.00 0.00 H ATOM 762 HB3 ALA A 56 39.915 1.657 23.791 1.00 0.00 H ATOM 763 H ALA A 56 36.829 -0.133 23.319 1.00 0.00 H ATOM 764 N VAL A 57 36.773 3.007 22.413 1.00 12.76 N ATOM 765 CA VAL A 57 36.535 4.225 21.670 1.00 11.92 C ATOM 766 C VAL A 57 35.934 5.273 22.621 1.00 11.97 C ATOM 767 O VAL A 57 36.118 6.477 22.438 1.00 12.19 O ATOM 768 CB VAL A 57 35.575 3.936 20.480 1.00 10.61 C ATOM 769 CG1 VAL A 57 35.174 5.237 19.814 1.00 11.03 C ATOM 770 CG2 VAL A 57 36.274 3.019 19.469 1.00 9.46 C ATOM 771 HA VAL A 57 37.470 4.609 21.263 1.00 0.00 H ATOM 772 HB VAL A 57 34.678 3.441 20.851 1.00 0.00 H ATOM 773 HG11 VAL A 57 34.667 5.874 20.539 1.00 0.00 H ATOM 774 HG12 VAL A 57 36.065 5.744 19.443 1.00 0.00 H ATOM 775 HG13 VAL A 57 34.502 5.026 18.982 1.00 0.00 H ATOM 776 HG21 VAL A 57 37.175 3.508 19.099 1.00 0.00 H ATOM 777 HG22 VAL A 57 36.542 2.081 19.956 1.00 0.00 H ATOM 778 HG23 VAL A 57 35.600 2.818 18.636 1.00 0.00 H ATOM 779 H VAL A 57 36.229 2.153 22.178 1.00 0.00 H ATOM 780 N CYS A 58 35.228 4.796 23.639 1.00 12.93 N ATOM 781 CA CYS A 58 34.582 5.657 24.637 1.00 15.37 C ATOM 782 C CYS A 58 35.576 6.498 25.430 1.00 16.25 C ATOM 783 O CYS A 58 35.184 7.402 26.185 1.00 16.70 O ATOM 784 CB CYS A 58 33.748 4.824 25.616 1.00 14.13 C ATOM 785 SG CYS A 58 32.239 4.160 24.850 1.00 14.66 S ATOM 786 HA CYS A 58 33.940 6.335 24.075 1.00 0.00 H ATOM 787 HB2 CYS A 58 33.465 5.454 26.459 1.00 0.00 H ATOM 788 HB3 CYS A 58 34.355 3.992 25.973 1.00 0.00 H ATOM 789 HG CYS A 58 33.073 3.607 23.900 1.00 0.00 H ATOM 790 H CYS A 58 35.128 3.765 23.734 1.00 0.00 H ATOM 791 N SER A 59 36.858 6.180 25.275 1.00 17.60 N ATOM 792 CA SER A 59 37.877 6.924 25.981 1.00 18.91 C ATOM 793 C SER A 59 38.838 7.477 24.965 1.00 18.57 C ATOM 794 O SER A 59 39.959 7.833 25.307 1.00 19.52 O ATOM 795 CB SER A 59 38.579 6.044 27.024 1.00 20.02 C ATOM 796 OG SER A 59 39.235 4.969 26.402 1.00 22.79 O ATOM 797 HA SER A 59 37.429 7.749 26.535 1.00 0.00 H ATOM 798 HB2 SER A 59 37.838 5.656 27.723 1.00 0.00 H ATOM 799 HB3 SER A 59 39.309 6.644 27.567 1.00 0.00 H ATOM 800 HG SER A 59 38.574 4.420 25.911 1.00 0.00 H ATOM 801 H SER A 59 37.127 5.397 24.646 1.00 0.00 H ATOM 802 N GLN A 60 38.386 7.556 23.711 1.00 18.26 N ATOM 803 CA GLN A 60 39.199 8.107 22.639 1.00 18.09 C ATOM 804 C GLN A 60 38.799 9.550 22.272 1.00 18.36 C ATOM 805 O GLN A 60 38.507 10.340 23.162 1.00 19.35 O ATOM 806 CB GLN A 60 39.195 7.139 21.442 1.00 18.51 C ATOM 807 CG GLN A 60 40.182 5.956 21.705 1.00 17.43 C ATOM 808 CD GLN A 60 39.958 4.702 20.860 1.00 18.50 C ATOM 809 OE1 GLN A 60 39.581 4.781 19.698 1.00 17.01 O ATOM 810 NE2 GLN A 60 40.216 3.535 21.449 1.00 17.63 N ATOM 811 HA GLN A 60 40.228 8.197 22.988 1.00 0.00 H ATOM 812 HB2 GLN A 60 38.189 6.745 21.300 1.00 0.00 H ATOM 813 HB3 GLN A 60 39.504 7.674 20.544 1.00 0.00 H ATOM 814 HG2 GLN A 60 41.193 6.314 21.511 1.00 0.00 H ATOM 815 HG3 GLN A 60 40.093 5.673 22.754 1.00 0.00 H ATOM 816 HE22 GLN A 60 40.535 3.511 22.439 1.00 0.00 H ATOM 817 HE21 GLN A 60 40.099 2.648 20.919 1.00 0.00 H ATOM 818 H GLN A 60 37.428 7.215 23.496 1.00 0.00 H ATOM 819 N LYS A 61 38.755 9.906 20.998 1.00 18.66 N ATOM 820 CA LYS A 61 38.477 11.294 20.643 1.00 19.23 C ATOM 821 C LYS A 61 37.070 11.799 20.752 1.00 18.97 C ATOM 822 O LYS A 61 36.220 11.329 20.052 1.00 18.76 O ATOM 823 CB LYS A 61 38.941 11.559 19.225 1.00 20.63 C ATOM 824 CG LYS A 61 38.927 13.012 18.838 1.00 23.03 C ATOM 825 CD LYS A 61 39.313 13.136 17.391 1.00 26.07 C ATOM 826 CE LYS A 61 38.315 13.999 16.625 1.00 28.16 C ATOM 827 NZ LYS A 61 38.636 15.463 16.741 1.00 29.92 N ATOM 828 HA LYS A 61 39.025 11.839 21.412 1.00 0.00 H ATOM 829 HB2 LYS A 61 39.960 11.187 19.122 1.00 0.00 H ATOM 830 HB3 LYS A 61 38.287 11.016 18.543 1.00 0.00 H ATOM 831 HG2 LYS A 61 37.927 13.421 18.986 1.00 0.00 H ATOM 832 HG3 LYS A 61 39.638 13.562 19.455 1.00 0.00 H ATOM 833 HD2 LYS A 61 40.301 13.591 17.324 1.00 0.00 H ATOM 834 HD3 LYS A 61 39.341 12.142 16.944 1.00 0.00 H ATOM 835 HE2 LYS A 61 37.317 13.824 17.026 1.00 0.00 H ATOM 836 HE3 LYS A 61 38.338 13.715 15.573 1.00 0.00 H ATOM 837 HZ1 LYS A 61 38.610 15.744 17.742 1.00 0.00 H ATOM 838 HZ2 LYS A 61 39.585 15.640 16.354 1.00 0.00 H ATOM 839 HZ3 LYS A 61 37.934 16.014 16.207 1.00 0.00 H ATOM 840 H LYS A 61 38.918 9.199 20.253 1.00 0.00 H ATOM 841 N LYS A 62 36.824 12.802 21.586 1.00 19.44 N ATOM 842 CA LYS A 62 35.466 13.349 21.716 1.00 19.88 C ATOM 843 C LYS A 62 35.077 14.216 20.497 1.00 19.36 C ATOM 844 O LYS A 62 35.857 15.043 20.009 1.00 19.08 O ATOM 845 CB LYS A 62 35.325 14.169 23.011 1.00 21.35 C ATOM 846 CG LYS A 62 33.898 14.213 23.523 1.00 22.82 C ATOM 847 CD LYS A 62 33.802 15.076 24.739 1.00 25.29 C ATOM 848 CE LYS A 62 32.984 14.397 25.816 1.00 26.14 C ATOM 849 NZ LYS A 62 31.741 15.193 26.151 1.00 27.90 N ATOM 850 HA LYS A 62 34.783 12.500 21.758 1.00 0.00 H ATOM 851 HB2 LYS A 62 35.957 13.722 23.778 1.00 0.00 H ATOM 852 HB3 LYS A 62 35.658 15.189 22.817 1.00 0.00 H ATOM 853 HG2 LYS A 62 33.250 14.617 22.745 1.00 0.00 H ATOM 854 HG3 LYS A 62 33.576 13.202 23.774 1.00 0.00 H ATOM 855 HD2 LYS A 62 34.805 15.270 25.120 1.00 0.00 H ATOM 856 HD3 LYS A 62 33.328 16.020 24.471 1.00 0.00 H ATOM 857 HE2 LYS A 62 33.594 14.296 26.714 1.00 0.00 H ATOM 858 HE3 LYS A 62 32.688 13.408 25.466 1.00 0.00 H ATOM 859 HZ1 LYS A 62 32.016 16.137 26.491 1.00 0.00 H ATOM 860 HZ2 LYS A 62 31.152 15.288 25.299 1.00 0.00 H ATOM 861 HZ3 LYS A 62 31.204 14.699 26.892 1.00 0.00 H ATOM 862 H LYS A 62 37.598 13.204 22.152 1.00 0.00 H ATOM 863 N VAL A 63 33.871 13.982 19.983 1.00 18.33 N ATOM 864 CA VAL A 63 33.367 14.728 18.834 1.00 16.95 C ATOM 865 C VAL A 63 31.898 14.957 19.112 1.00 16.43 C ATOM 866 O VAL A 63 31.311 14.341 20.014 1.00 17.56 O ATOM 867 CB VAL A 63 33.512 13.948 17.516 1.00 16.53 C ATOM 868 CG1 VAL A 63 34.952 13.738 17.218 1.00 16.17 C ATOM 869 CG2 VAL A 63 32.788 12.617 17.600 1.00 16.05 C ATOM 870 HA VAL A 63 33.933 15.651 18.712 1.00 0.00 H ATOM 871 HB VAL A 63 33.061 14.527 16.710 1.00 0.00 H ATOM 872 HG11 VAL A 63 35.447 14.705 17.124 1.00 0.00 H ATOM 873 HG12 VAL A 63 35.410 13.171 18.028 1.00 0.00 H ATOM 874 HG13 VAL A 63 35.052 13.185 16.284 1.00 0.00 H ATOM 875 HG21 VAL A 63 33.213 12.024 18.410 1.00 0.00 H ATOM 876 HG22 VAL A 63 31.730 12.792 17.793 1.00 0.00 H ATOM 877 HG23 VAL A 63 32.903 12.082 16.657 1.00 0.00 H ATOM 878 H VAL A 63 33.272 13.248 20.412 1.00 0.00 H ATOM 879 N THR A 64 31.280 15.850 18.354 1.00 15.63 N ATOM 880 CA THR A 64 29.860 16.128 18.587 1.00 13.93 C ATOM 881 C THR A 64 29.029 15.031 17.911 1.00 13.55 C ATOM 882 O THR A 64 29.456 14.521 16.832 1.00 13.53 O ATOM 883 CB THR A 64 29.431 17.475 17.953 1.00 14.53 C ATOM 884 OG1 THR A 64 30.468 18.442 18.116 1.00 13.95 O ATOM 885 CG2 THR A 64 28.163 17.974 18.594 1.00 14.22 C ATOM 886 HA THR A 64 29.700 16.166 19.664 1.00 0.00 H ATOM 887 HB THR A 64 29.250 17.319 16.890 1.00 0.00 H ATOM 888 HG1 THR A 64 30.644 18.576 19.081 1.00 0.00 H ATOM 889 HG23 THR A 64 27.376 17.231 18.466 1.00 0.00 H ATOM 890 HG21 THR A 64 28.336 18.142 19.657 1.00 0.00 H ATOM 891 HG22 THR A 64 27.862 18.909 18.122 1.00 0.00 H ATOM 892 H THR A 64 31.797 16.349 17.602 1.00 0.00 H ATOM 893 N CYS A 65 27.867 14.706 18.509 1.00 11.13 N ATOM 894 CA CYS A 65 26.933 13.701 17.971 1.00 10.97 C ATOM 895 C CYS A 65 26.087 14.350 16.878 1.00 10.83 C ATOM 896 O CYS A 65 25.888 15.574 16.885 1.00 9.47 O ATOM 897 CB CYS A 65 25.967 13.188 19.047 1.00 11.27 C ATOM 898 SG CYS A 65 26.796 12.441 20.496 1.00 13.31 S ATOM 899 HA CYS A 65 27.526 12.868 17.593 1.00 0.00 H ATOM 900 HB2 CYS A 65 25.320 12.436 18.596 1.00 0.00 H ATOM 901 HB3 CYS A 65 25.362 14.026 19.392 1.00 0.00 H ATOM 902 HG CYS A 65 27.042 13.577 19.751 1.00 0.00 H ATOM 903 H CYS A 65 27.616 15.189 19.395 1.00 0.00 H ATOM 904 N LYS A 66 25.560 13.530 15.962 1.00 9.90 N ATOM 905 CA LYS A 66 24.731 14.064 14.902 1.00 10.45 C ATOM 906 C LYS A 66 23.524 14.807 15.451 1.00 10.27 C ATOM 907 O LYS A 66 23.088 15.791 14.870 1.00 9.73 O ATOM 908 CB LYS A 66 24.289 12.937 13.945 1.00 11.01 C ATOM 909 CG LYS A 66 25.455 12.372 13.095 1.00 12.85 C ATOM 910 CD LYS A 66 25.900 13.303 11.958 1.00 14.53 C ATOM 911 CE LYS A 66 27.232 12.838 11.295 1.00 14.72 C ATOM 912 NZ LYS A 66 28.538 13.143 12.043 1.00 15.30 N ATOM 913 HA LYS A 66 25.330 14.784 14.344 1.00 0.00 H ATOM 914 HB2 LYS A 66 23.865 12.125 14.536 1.00 0.00 H ATOM 915 HB3 LYS A 66 23.527 13.331 13.272 1.00 0.00 H ATOM 916 HG2 LYS A 66 26.307 12.199 13.752 1.00 0.00 H ATOM 917 HG3 LYS A 66 25.136 11.425 12.659 1.00 0.00 H ATOM 918 HD2 LYS A 66 25.119 13.325 11.198 1.00 0.00 H ATOM 919 HD3 LYS A 66 26.041 14.306 12.361 1.00 0.00 H ATOM 920 HE2 LYS A 66 27.295 13.316 10.318 1.00 0.00 H ATOM 921 HE3 LYS A 66 27.173 11.757 11.166 1.00 0.00 H ATOM 922 HZ1 LYS A 66 28.634 14.171 12.165 1.00 0.00 H ATOM 923 HZ2 LYS A 66 28.518 12.683 12.975 1.00 0.00 H ATOM 924 HZ3 LYS A 66 29.343 12.781 11.494 1.00 0.00 H ATOM 925 H LYS A 66 25.746 12.508 16.011 1.00 0.00 H ATOM 926 N ASN A 67 22.989 14.342 16.570 1.00 9.83 N ATOM 927 CA ASN A 67 21.839 14.997 17.152 1.00 11.31 C ATOM 928 C ASN A 67 22.179 16.214 18.024 1.00 12.44 C ATOM 929 O ASN A 67 21.261 16.872 18.547 1.00 12.81 O ATOM 930 CB ASN A 67 21.002 13.983 17.945 1.00 11.72 C ATOM 931 CG ASN A 67 21.649 13.557 19.265 1.00 12.03 C ATOM 932 OD1 ASN A 67 22.778 13.934 19.595 1.00 12.19 O ATOM 933 ND2 ASN A 67 20.910 12.756 20.035 1.00 13.57 N ATOM 934 HA ASN A 67 21.261 15.390 16.316 1.00 0.00 H ATOM 935 HB2 ASN A 67 20.033 14.431 18.164 1.00 0.00 H ATOM 936 HB3 ASN A 67 20.859 13.096 17.328 1.00 0.00 H ATOM 937 HD22 ASN A 67 19.963 12.461 19.721 1.00 0.00 H ATOM 938 HD21 ASN A 67 21.281 12.427 20.949 1.00 0.00 H ATOM 939 H ASN A 67 23.397 13.504 17.031 1.00 0.00 H ATOM 940 N GLY A 68 23.476 16.517 18.175 1.00 12.38 N ATOM 941 CA GLY A 68 23.892 17.679 18.946 1.00 13.65 C ATOM 942 C GLY A 68 24.478 17.419 20.322 1.00 14.88 C ATOM 943 O GLY A 68 25.068 18.334 20.938 1.00 14.77 O ATOM 944 HA3 GLY A 68 23.018 18.318 19.076 1.00 0.00 H ATOM 945 HA2 GLY A 68 24.645 18.209 18.362 1.00 0.00 H ATOM 946 H GLY A 68 24.197 15.911 17.734 1.00 0.00 H ATOM 947 N GLN A 69 24.293 16.198 20.827 1.00 15.43 N ATOM 948 CA GLN A 69 24.846 15.820 22.126 1.00 16.56 C ATOM 949 C GLN A 69 26.365 15.774 22.031 1.00 16.38 C ATOM 950 O GLN A 69 26.939 15.691 20.937 1.00 16.31 O ATOM 951 CB GLN A 69 24.313 14.455 22.546 1.00 18.16 C ATOM 952 CG GLN A 69 22.890 14.507 23.051 1.00 21.71 C ATOM 953 CD GLN A 69 22.631 15.715 23.952 1.00 24.23 C ATOM 954 OE1 GLN A 69 23.127 15.785 25.100 1.00 26.54 O ATOM 955 NE2 GLN A 69 21.848 16.674 23.445 1.00 25.21 N ATOM 956 HA GLN A 69 24.548 16.557 22.872 1.00 0.00 H ATOM 957 HB2 GLN A 69 24.352 13.787 21.686 1.00 0.00 H ATOM 958 HB3 GLN A 69 24.949 14.062 23.339 1.00 0.00 H ATOM 959 HG2 GLN A 69 22.217 14.558 22.195 1.00 0.00 H ATOM 960 HG3 GLN A 69 22.687 13.598 23.618 1.00 0.00 H ATOM 961 HE22 GLN A 69 21.458 16.574 22.486 1.00 0.00 H ATOM 962 HE21 GLN A 69 21.630 17.520 24.010 1.00 0.00 H ATOM 963 H GLN A 69 23.744 15.501 20.285 1.00 0.00 H ATOM 964 N THR A 70 27.042 15.816 23.175 1.00 16.36 N ATOM 965 CA THR A 70 28.496 15.807 23.144 1.00 16.82 C ATOM 966 C THR A 70 29.092 14.525 23.753 1.00 16.90 C ATOM 967 O THR A 70 30.318 14.416 23.980 1.00 17.55 O ATOM 968 CB THR A 70 29.088 17.085 23.819 1.00 17.29 C ATOM 969 OG1 THR A 70 28.461 17.274 25.086 1.00 16.55 O ATOM 970 CG2 THR A 70 28.845 18.344 22.921 1.00 16.80 C ATOM 971 HA THR A 70 28.785 15.817 22.093 1.00 0.00 H ATOM 972 HB THR A 70 30.162 16.954 23.949 1.00 0.00 H ATOM 973 HG1 THR A 70 28.832 18.083 25.519 1.00 0.00 H ATOM 974 HG23 THR A 70 29.325 18.197 21.954 1.00 0.00 H ATOM 975 HG21 THR A 70 27.774 18.486 22.779 1.00 0.00 H ATOM 976 HG22 THR A 70 29.268 19.223 23.408 1.00 0.00 H ATOM 977 H THR A 70 26.536 15.855 24.083 1.00 0.00 H ATOM 978 N ASN A 71 28.238 13.521 23.965 1.00 16.46 N ATOM 979 CA ASN A 71 28.752 12.266 24.492 1.00 15.00 C ATOM 980 C ASN A 71 29.202 11.295 23.386 1.00 14.80 C ATOM 981 O ASN A 71 29.106 10.078 23.559 1.00 13.67 O ATOM 982 CB ASN A 71 27.723 11.602 25.413 1.00 16.32 C ATOM 983 CG ASN A 71 26.485 11.155 24.698 1.00 17.14 C ATOM 984 OD1 ASN A 71 25.893 11.909 23.932 1.00 18.52 O ATOM 985 ND2 ASN A 71 26.065 9.910 24.958 1.00 17.83 N ATOM 986 HA ASN A 71 29.641 12.511 25.074 1.00 0.00 H ATOM 987 HB2 ASN A 71 28.186 10.732 25.879 1.00 0.00 H ATOM 988 HB3 ASN A 71 27.437 12.317 26.185 1.00 0.00 H ATOM 989 HD22 ASN A 71 26.600 9.307 25.615 1.00 0.00 H ATOM 990 HD21 ASN A 71 25.204 9.546 24.503 1.00 0.00 H ATOM 991 H ASN A 71 27.225 13.634 23.758 1.00 0.00 H ATOM 992 N CYS A 72 29.709 11.831 22.269 1.00 12.51 N ATOM 993 CA CYS A 72 30.186 10.991 21.175 1.00 12.28 C ATOM 994 C CYS A 72 31.690 10.983 21.081 1.00 12.63 C ATOM 995 O CYS A 72 32.371 11.951 21.427 1.00 12.90 O ATOM 996 CB CYS A 72 29.582 11.406 19.822 1.00 11.19 C ATOM 997 SG CYS A 72 27.843 10.876 19.711 1.00 12.39 S ATOM 998 HA CYS A 72 29.851 9.980 21.406 1.00 0.00 H ATOM 999 HB2 CYS A 72 30.151 10.941 19.017 1.00 0.00 H ATOM 1000 HB3 CYS A 72 29.634 12.490 19.723 1.00 0.00 H ATOM 1001 HG CYS A 72 28.520 10.225 20.722 1.00 0.00 H ATOM 1002 H CYS A 72 29.764 12.866 22.179 1.00 0.00 H ATOM 1003 N TYR A 73 32.194 9.871 20.575 1.00 12.47 N ATOM 1004 CA TYR A 73 33.605 9.643 20.457 1.00 12.50 C ATOM 1005 C TYR A 73 33.920 8.960 19.144 1.00 12.48 C ATOM 1006 O TYR A 73 33.195 8.086 18.677 1.00 11.93 O ATOM 1007 CB TYR A 73 34.056 8.756 21.622 1.00 14.04 C ATOM 1008 CG TYR A 73 33.826 9.363 22.990 1.00 15.25 C ATOM 1009 CD1 TYR A 73 32.591 9.247 23.632 1.00 16.00 C ATOM 1010 CD2 TYR A 73 34.846 10.079 23.635 1.00 16.08 C ATOM 1011 CE1 TYR A 73 32.366 9.838 24.891 1.00 16.99 C ATOM 1012 CE2 TYR A 73 34.630 10.666 24.886 1.00 17.11 C ATOM 1013 CZ TYR A 73 33.395 10.543 25.495 1.00 17.04 C ATOM 1014 OH TYR A 73 33.174 11.183 26.681 1.00 19.41 O ATOM 1015 HA TYR A 73 34.132 10.597 20.484 1.00 0.00 H ATOM 1016 HB3 TYR A 73 35.122 8.560 21.510 1.00 0.00 H ATOM 1017 HB2 TYR A 73 33.507 7.816 21.568 1.00 0.00 H ATOM 1018 HD2 TYR A 73 35.819 10.179 23.155 1.00 0.00 H ATOM 1019 HE2 TYR A 73 35.431 11.217 25.378 1.00 0.00 H ATOM 1020 HE1 TYR A 73 31.398 9.742 25.382 1.00 0.00 H ATOM 1021 HD1 TYR A 73 31.787 8.690 23.151 1.00 0.00 H ATOM 1022 HH TYR A 73 32.251 10.999 26.987 1.00 0.00 H ATOM 1023 H TYR A 73 31.540 9.131 20.249 1.00 0.00 H ATOM 1024 N GLN A 74 35.050 9.350 18.580 1.00 12.98 N ATOM 1025 CA GLN A 74 35.570 8.847 17.316 1.00 12.87 C ATOM 1026 C GLN A 74 36.774 7.939 17.592 1.00 12.85 C ATOM 1027 O GLN A 74 37.645 8.273 18.445 1.00 12.47 O ATOM 1028 CB GLN A 74 36.006 10.031 16.483 1.00 13.92 C ATOM 1029 CG GLN A 74 36.579 9.681 15.177 1.00 17.12 C ATOM 1030 CD GLN A 74 36.738 10.911 14.312 1.00 18.66 C ATOM 1031 OE1 GLN A 74 35.750 11.558 13.939 1.00 20.63 O ATOM 1032 NE2 GLN A 74 37.985 11.250 13.988 1.00 21.46 N ATOM 1033 HA GLN A 74 34.807 8.276 16.787 1.00 0.00 H ATOM 1034 HB2 GLN A 74 35.137 10.667 16.314 1.00 0.00 H ATOM 1035 HB3 GLN A 74 36.756 10.586 17.046 1.00 0.00 H ATOM 1036 HG2 GLN A 74 37.556 9.221 15.327 1.00 0.00 H ATOM 1037 HG3 GLN A 74 35.919 8.974 14.675 1.00 0.00 H ATOM 1038 HE22 GLN A 74 38.784 10.676 14.325 1.00 0.00 H ATOM 1039 HE21 GLN A 74 38.159 12.089 13.398 1.00 0.00 H ATOM 1040 H GLN A 74 35.611 10.071 19.077 1.00 0.00 H ATOM 1041 N SER A 75 36.812 6.792 16.910 1.00 12.06 N ATOM 1042 CA SER A 75 37.913 5.835 17.072 1.00 12.27 C ATOM 1043 C SER A 75 39.259 6.494 16.652 1.00 13.12 C ATOM 1044 O SER A 75 39.315 7.306 15.715 1.00 12.12 O ATOM 1045 CB SER A 75 37.656 4.563 16.224 1.00 11.38 C ATOM 1046 OG SER A 75 37.571 4.844 14.832 1.00 9.50 O ATOM 1047 HA SER A 75 37.971 5.546 18.122 1.00 0.00 H ATOM 1048 HB2 SER A 75 36.719 4.110 16.547 1.00 0.00 H ATOM 1049 HB3 SER A 75 38.473 3.861 16.390 1.00 0.00 H ATOM 1050 HG SER A 75 38.421 5.249 14.526 1.00 0.00 H ATOM 1051 H SER A 75 36.042 6.571 16.247 1.00 0.00 H ATOM 1052 N LYS A 76 40.339 6.167 17.364 1.00 13.77 N ATOM 1053 CA LYS A 76 41.633 6.734 16.991 1.00 14.74 C ATOM 1054 C LYS A 76 42.149 6.126 15.659 1.00 14.18 C ATOM 1055 O LYS A 76 42.908 6.771 14.924 1.00 13.33 O ATOM 1056 CB LYS A 76 42.637 6.518 18.137 1.00 15.40 C ATOM 1057 CG LYS A 76 43.513 5.284 18.022 1.00 18.10 C ATOM 1058 CD LYS A 76 44.478 5.195 19.240 1.00 19.83 C ATOM 1059 CE LYS A 76 44.316 3.845 19.977 1.00 20.84 C ATOM 1060 NZ LYS A 76 44.825 3.849 21.381 1.00 21.17 N ATOM 1061 HA LYS A 76 41.517 7.805 16.826 1.00 0.00 H ATOM 1062 HB2 LYS A 76 43.290 7.390 18.179 1.00 0.00 H ATOM 1063 HB3 LYS A 76 42.073 6.443 19.067 1.00 0.00 H ATOM 1064 HG2 LYS A 76 42.882 4.395 17.996 1.00 0.00 H ATOM 1065 HG3 LYS A 76 44.097 5.341 17.103 1.00 0.00 H ATOM 1066 HD2 LYS A 76 45.506 5.289 18.889 1.00 0.00 H ATOM 1067 HD3 LYS A 76 44.256 6.008 19.931 1.00 0.00 H ATOM 1068 HE2 LYS A 76 44.859 3.083 19.418 1.00 0.00 H ATOM 1069 HE3 LYS A 76 43.256 3.592 19.998 1.00 0.00 H ATOM 1070 HZ1 LYS A 76 45.840 4.077 21.380 1.00 0.00 H ATOM 1071 HZ2 LYS A 76 44.309 4.563 21.934 1.00 0.00 H ATOM 1072 HZ3 LYS A 76 44.680 2.910 21.804 1.00 0.00 H ATOM 1073 H LYS A 76 40.261 5.518 18.173 1.00 0.00 H ATOM 1074 N SER A 77 41.721 4.897 15.347 1.00 13.45 N ATOM 1075 CA SER A 77 42.125 4.217 14.127 1.00 13.73 C ATOM 1076 C SER A 77 40.921 3.824 13.304 1.00 12.80 C ATOM 1077 O SER A 77 39.791 3.839 13.787 1.00 12.24 O ATOM 1078 CB SER A 77 42.884 2.923 14.451 1.00 14.47 C ATOM 1079 OG SER A 77 43.996 3.166 15.306 1.00 19.22 O ATOM 1080 HA SER A 77 42.759 4.911 13.575 1.00 0.00 H ATOM 1081 HB2 SER A 77 43.242 2.481 13.521 1.00 0.00 H ATOM 1082 HB3 SER A 77 42.204 2.228 14.944 1.00 0.00 H ATOM 1083 HG SER A 77 44.460 2.312 15.493 1.00 0.00 H ATOM 1084 H SER A 77 41.076 4.410 16.001 1.00 0.00 H ATOM 1085 N THR A 78 41.170 3.469 12.053 1.00 12.16 N ATOM 1086 CA THR A 78 40.100 2.982 11.196 1.00 12.46 C ATOM 1087 C THR A 78 39.803 1.586 11.766 1.00 12.19 C ATOM 1088 O THR A 78 40.626 0.985 12.490 1.00 12.43 O ATOM 1089 CB THR A 78 40.539 2.839 9.683 1.00 12.57 C ATOM 1090 OG1 THR A 78 41.656 1.961 9.594 1.00 13.33 O ATOM 1091 CG2 THR A 78 40.933 4.180 9.083 1.00 12.81 C ATOM 1092 HA THR A 78 39.253 3.668 11.192 1.00 0.00 H ATOM 1093 HB THR A 78 39.688 2.444 9.128 1.00 0.00 H ATOM 1094 HG1 THR A 78 41.930 1.872 8.647 1.00 0.00 H ATOM 1095 HG23 THR A 78 40.088 4.866 9.143 1.00 0.00 H ATOM 1096 HG21 THR A 78 41.776 4.591 9.638 1.00 0.00 H ATOM 1097 HG22 THR A 78 41.216 4.041 8.040 1.00 0.00 H ATOM 1098 H THR A 78 42.138 3.539 11.680 1.00 0.00 H ATOM 1099 N MET A 79 38.613 1.089 11.477 1.00 11.67 N ATOM 1100 CA MET A 79 38.211 -0.231 11.922 1.00 11.32 C ATOM 1101 C MET A 79 37.551 -0.932 10.714 1.00 11.09 C ATOM 1102 O MET A 79 37.075 -0.282 9.776 1.00 10.68 O ATOM 1103 CB MET A 79 37.214 -0.120 13.084 1.00 11.90 C ATOM 1104 CG MET A 79 37.777 0.455 14.399 1.00 10.54 C ATOM 1105 SD MET A 79 36.587 0.233 15.728 1.00 13.29 S ATOM 1106 CE MET A 79 37.603 0.417 17.206 1.00 11.80 C ATOM 1107 HA MET A 79 39.070 -0.799 12.279 1.00 0.00 H ATOM 1108 HB2 MET A 79 36.395 0.522 12.762 1.00 0.00 H ATOM 1109 HB3 MET A 79 36.831 -1.119 13.293 1.00 0.00 H ATOM 1110 HG2 MET A 79 37.980 1.518 14.270 1.00 0.00 H ATOM 1111 HG3 MET A 79 38.702 -0.063 14.653 1.00 0.00 H ATOM 1112 HE1 MET A 79 38.383 -0.345 17.207 1.00 0.00 H ATOM 1113 HE2 MET A 79 38.060 1.407 17.210 1.00 0.00 H ATOM 1114 HE3 MET A 79 36.978 0.300 18.092 1.00 0.00 H ATOM 1115 H MET A 79 37.948 1.659 10.916 1.00 0.00 H ATOM 1116 N ARG A 80 37.557 -2.259 10.742 1.00 11.67 N ATOM 1117 CA ARG A 80 36.951 -3.069 9.695 1.00 11.21 C ATOM 1118 C ARG A 80 35.464 -3.106 10.000 1.00 11.10 C ATOM 1119 O ARG A 80 35.041 -3.597 11.050 1.00 10.40 O ATOM 1120 CB ARG A 80 37.518 -4.479 9.729 1.00 13.55 C ATOM 1121 CG ARG A 80 38.947 -4.551 9.202 1.00 16.29 C ATOM 1122 CD ARG A 80 39.566 -5.919 9.428 1.00 19.18 C ATOM 1123 NE ARG A 80 39.933 -6.161 10.817 1.00 21.96 N ATOM 1124 CZ ARG A 80 39.324 -7.048 11.610 1.00 24.56 C ATOM 1125 NH1 ARG A 80 38.303 -7.779 11.148 1.00 25.06 N ATOM 1126 NH2 ARG A 80 39.764 -7.239 12.866 1.00 26.28 N ATOM 1127 HA ARG A 80 37.150 -2.654 8.707 1.00 0.00 H ATOM 1128 HB2 ARG A 80 37.508 -4.835 10.759 1.00 0.00 H ATOM 1129 HB3 ARG A 80 36.887 -5.124 9.117 1.00 0.00 H ATOM 1130 HG2 ARG A 80 38.940 -4.340 8.133 1.00 0.00 H ATOM 1131 HG3 ARG A 80 39.550 -3.802 9.715 1.00 0.00 H ATOM 1132 HD2 ARG A 80 40.463 -6.000 8.813 1.00 0.00 H ATOM 1133 HD3 ARG A 80 38.848 -6.679 9.122 1.00 0.00 H ATOM 1134 HE ARG A 80 40.718 -5.609 11.217 1.00 0.00 H ATOM 1135 HH12 ARG A 80 37.833 -8.468 11.770 1.00 0.00 H ATOM 1136 HH11 ARG A 80 37.979 -7.659 10.167 1.00 0.00 H ATOM 1137 HH22 ARG A 80 39.291 -7.929 13.484 1.00 0.00 H ATOM 1138 HH21 ARG A 80 40.578 -6.697 13.220 1.00 0.00 H ATOM 1139 H ARG A 80 38.013 -2.739 11.544 1.00 0.00 H ATOM 1140 N ILE A 81 34.681 -2.569 9.077 1.00 9.77 N ATOM 1141 CA ILE A 81 33.227 -2.527 9.239 1.00 9.61 C ATOM 1142 C ILE A 81 32.525 -2.930 7.914 1.00 9.65 C ATOM 1143 O ILE A 81 33.142 -3.008 6.838 1.00 9.91 O ATOM 1144 CB ILE A 81 32.756 -1.101 9.660 1.00 8.87 C ATOM 1145 CG1 ILE A 81 32.910 -0.125 8.479 1.00 9.46 C ATOM 1146 CG2 ILE A 81 33.569 -0.583 10.836 1.00 8.03 C ATOM 1147 CD1 ILE A 81 32.285 1.247 8.722 1.00 9.63 C ATOM 1148 HA ILE A 81 32.957 -3.234 10.023 1.00 0.00 H ATOM 1149 HB ILE A 81 31.709 -1.168 9.955 1.00 0.00 H ATOM 1150 HG12 ILE A 81 33.974 0.012 8.284 1.00 0.00 H ATOM 1151 HG13 ILE A 81 32.435 -0.568 7.604 1.00 0.00 H ATOM 1152 HD11 ILE A 81 31.217 1.131 8.907 1.00 0.00 H ATOM 1153 HD12 ILE A 81 32.757 1.712 9.588 1.00 0.00 H ATOM 1154 HD13 ILE A 81 32.437 1.875 7.844 1.00 0.00 H ATOM 1155 HG21 ILE A 81 33.448 -1.256 11.685 1.00 0.00 H ATOM 1156 HG22 ILE A 81 34.621 -0.535 10.556 1.00 0.00 H ATOM 1157 HG23 ILE A 81 33.219 0.413 11.108 1.00 0.00 H ATOM 1158 H ILE A 81 35.109 -2.168 8.218 1.00 0.00 H ATOM 1159 N THR A 82 31.239 -3.221 8.017 1.00 9.08 N ATOM 1160 CA THR A 82 30.416 -3.560 6.869 1.00 9.54 C ATOM 1161 C THR A 82 29.145 -2.695 6.969 1.00 9.65 C ATOM 1162 O THR A 82 28.491 -2.662 8.031 1.00 10.09 O ATOM 1163 CB THR A 82 30.000 -5.054 6.873 1.00 8.96 C ATOM 1164 OG1 THR A 82 31.166 -5.875 6.751 1.00 9.28 O ATOM 1165 CG2 THR A 82 29.039 -5.355 5.692 1.00 9.41 C ATOM 1166 HA THR A 82 30.978 -3.380 5.953 1.00 0.00 H ATOM 1167 HB THR A 82 29.488 -5.270 7.811 1.00 0.00 H ATOM 1168 HG1 THR A 82 31.773 -5.699 7.513 1.00 0.00 H ATOM 1169 HG23 THR A 82 28.149 -4.732 5.781 1.00 0.00 H ATOM 1170 HG21 THR A 82 29.543 -5.138 4.750 1.00 0.00 H ATOM 1171 HG22 THR A 82 28.752 -6.406 5.718 1.00 0.00 H ATOM 1172 H THR A 82 30.799 -3.207 8.959 1.00 0.00 H ATOM 1173 N ASP A 83 28.817 -1.979 5.900 1.00 8.97 N ATOM 1174 CA ASP A 83 27.611 -1.151 5.854 1.00 9.81 C ATOM 1175 C ASP A 83 26.533 -1.957 5.128 1.00 9.84 C ATOM 1176 O ASP A 83 26.787 -2.523 4.080 1.00 9.88 O ATOM 1177 CB ASP A 83 27.861 0.132 5.049 1.00 11.34 C ATOM 1178 CG ASP A 83 28.706 1.157 5.803 1.00 13.97 C ATOM 1179 OD1 ASP A 83 28.495 1.354 7.025 1.00 15.10 O ATOM 1180 OD2 ASP A 83 29.574 1.796 5.183 1.00 14.67 O ATOM 1181 HA ASP A 83 27.316 -0.882 6.868 1.00 0.00 H ATOM 1182 HB2 ASP A 83 28.377 -0.132 4.126 1.00 0.00 H ATOM 1183 HB3 ASP A 83 26.899 0.584 4.809 1.00 0.00 H ATOM 1184 H ASP A 83 29.438 -2.008 5.067 1.00 0.00 H ATOM 1185 N CYS A 84 25.337 -2.017 5.701 1.00 8.61 N ATOM 1186 CA CYS A 84 24.209 -2.719 5.113 1.00 9.08 C ATOM 1187 C CYS A 84 23.210 -1.635 4.769 1.00 8.58 C ATOM 1188 O CYS A 84 22.844 -0.818 5.629 1.00 8.95 O ATOM 1189 CB CYS A 84 23.566 -3.657 6.127 1.00 8.45 C ATOM 1190 SG CYS A 84 24.703 -4.952 6.689 1.00 10.11 S ATOM 1191 HA CYS A 84 24.520 -3.314 4.254 1.00 0.00 H ATOM 1192 HB2 CYS A 84 22.698 -4.129 5.667 1.00 0.00 H ATOM 1193 HB3 CYS A 84 23.246 -3.073 6.990 1.00 0.00 H ATOM 1194 HG CYS A 84 25.743 -4.143 7.098 1.00 0.00 H ATOM 1195 H CYS A 84 25.201 -1.539 6.614 1.00 0.00 H ATOM 1196 N ARG A 85 22.786 -1.612 3.515 1.00 9.00 N ATOM 1197 CA ARG A 85 21.828 -0.607 3.074 1.00 9.52 C ATOM 1198 C ARG A 85 20.716 -1.295 2.306 1.00 9.88 C ATOM 1199 O ARG A 85 20.985 -2.120 1.431 1.00 9.37 O ATOM 1200 CB ARG A 85 22.488 0.419 2.148 1.00 9.46 C ATOM 1201 CG ARG A 85 23.639 1.129 2.737 1.00 12.27 C ATOM 1202 CD ARG A 85 24.222 2.068 1.717 1.00 12.24 C ATOM 1203 NE ARG A 85 25.165 2.997 2.343 1.00 14.44 N ATOM 1204 CZ ARG A 85 26.468 2.759 2.475 1.00 14.67 C ATOM 1205 NH1 ARG A 85 26.984 1.621 2.031 1.00 15.40 N ATOM 1206 NH2 ARG A 85 27.265 3.666 3.037 1.00 16.21 N ATOM 1207 HA ARG A 85 21.442 -0.092 3.953 1.00 0.00 H ATOM 1208 HB2 ARG A 85 22.831 -0.101 1.254 1.00 0.00 H ATOM 1209 HB3 ARG A 85 21.737 1.159 1.871 1.00 0.00 H ATOM 1210 HG2 ARG A 85 23.310 1.696 3.608 1.00 0.00 H ATOM 1211 HG3 ARG A 85 24.396 0.406 3.041 1.00 0.00 H ATOM 1212 HD2 ARG A 85 23.416 2.636 1.252 1.00 0.00 H ATOM 1213 HD3 ARG A 85 24.743 1.489 0.955 1.00 0.00 H ATOM 1214 HE ARG A 85 24.794 3.898 2.707 1.00 0.00 H ATOM 1215 HH12 ARG A 85 28.002 1.436 2.135 1.00 0.00 H ATOM 1216 HH11 ARG A 85 26.370 0.913 1.579 1.00 0.00 H ATOM 1217 HH22 ARG A 85 28.282 3.474 3.137 1.00 0.00 H ATOM 1218 HH21 ARG A 85 26.870 4.567 3.376 1.00 0.00 H ATOM 1219 H ARG A 85 23.140 -2.318 2.838 1.00 0.00 H ATOM 1220 N GLU A 86 19.475 -0.941 2.632 1.00 10.41 N ATOM 1221 CA GLU A 86 18.305 -1.492 1.970 1.00 11.88 C ATOM 1222 C GLU A 86 18.377 -1.179 0.470 1.00 12.48 C ATOM 1223 O GLU A 86 18.767 -0.076 0.070 1.00 12.62 O ATOM 1224 CB GLU A 86 17.035 -0.871 2.570 1.00 12.88 C ATOM 1225 CG GLU A 86 15.966 -1.883 2.919 1.00 14.34 C ATOM 1226 CD GLU A 86 14.619 -1.227 3.195 1.00 13.82 C ATOM 1227 OE1 GLU A 86 14.617 -0.053 3.618 1.00 14.08 O ATOM 1228 OE2 GLU A 86 13.585 -1.880 2.989 1.00 13.85 O ATOM 1229 HA GLU A 86 18.277 -2.572 2.114 1.00 0.00 H ATOM 1230 HB2 GLU A 86 17.310 -0.335 3.478 1.00 0.00 H ATOM 1231 HB3 GLU A 86 16.621 -0.169 1.846 1.00 0.00 H ATOM 1232 HG2 GLU A 86 15.854 -2.577 2.086 1.00 0.00 H ATOM 1233 HG3 GLU A 86 16.278 -2.431 3.808 1.00 0.00 H ATOM 1234 H GLU A 86 19.338 -0.243 3.390 1.00 0.00 H ATOM 1235 N THR A 87 18.051 -2.165 -0.359 1.00 11.82 N ATOM 1236 CA THR A 87 18.084 -1.966 -1.806 1.00 11.93 C ATOM 1237 C THR A 87 16.738 -1.405 -2.239 1.00 11.05 C ATOM 1238 O THR A 87 15.793 -1.401 -1.485 1.00 10.09 O ATOM 1239 CB THR A 87 18.339 -3.302 -2.547 1.00 11.74 C ATOM 1240 OG1 THR A 87 17.230 -4.168 -2.321 1.00 12.88 O ATOM 1241 CG2 THR A 87 19.623 -3.981 -2.050 1.00 12.76 C ATOM 1242 HA THR A 87 18.894 -1.279 -2.054 1.00 0.00 H ATOM 1243 HB THR A 87 18.457 -3.095 -3.611 1.00 0.00 H ATOM 1244 HG1 THR A 87 17.135 -4.334 -1.350 1.00 0.00 H ATOM 1245 HG23 THR A 87 20.472 -3.320 -2.222 1.00 0.00 H ATOM 1246 HG21 THR A 87 19.533 -4.189 -0.984 1.00 0.00 H ATOM 1247 HG22 THR A 87 19.772 -4.915 -2.592 1.00 0.00 H ATOM 1248 H THR A 87 17.769 -3.089 0.027 1.00 0.00 H ATOM 1249 N GLY A 88 16.662 -0.919 -3.467 1.00 11.82 N ATOM 1250 CA GLY A 88 15.411 -0.378 -3.956 1.00 12.14 C ATOM 1251 C GLY A 88 14.324 -1.428 -4.022 1.00 13.23 C ATOM 1252 O GLY A 88 13.147 -1.124 -3.838 1.00 14.57 O ATOM 1253 HA3 GLY A 88 15.570 0.027 -4.955 1.00 0.00 H ATOM 1254 HA2 GLY A 88 15.088 0.421 -3.288 1.00 0.00 H ATOM 1255 H GLY A 88 17.501 -0.925 -4.081 1.00 0.00 H ATOM 1256 N SER A 89 14.693 -2.676 -4.269 1.00 13.65 N ATOM 1257 CA SER A 89 13.696 -3.724 -4.359 1.00 14.23 C ATOM 1258 C SER A 89 13.173 -4.216 -3.019 1.00 14.09 C ATOM 1259 O SER A 89 12.178 -4.951 -2.960 1.00 13.83 O ATOM 1260 CB SER A 89 14.252 -4.897 -5.154 1.00 14.94 C ATOM 1261 OG SER A 89 15.426 -5.396 -4.567 1.00 16.31 O ATOM 1262 HA SER A 89 12.841 -3.277 -4.867 1.00 0.00 H ATOM 1263 HB2 SER A 89 14.474 -4.566 -6.169 1.00 0.00 H ATOM 1264 HB3 SER A 89 13.505 -5.690 -5.187 1.00 0.00 H ATOM 1265 HG SER A 89 16.109 -4.680 -4.539 1.00 0.00 H ATOM 1266 H SER A 89 15.699 -2.904 -4.398 1.00 0.00 H ATOM 1267 N SER A 90 13.836 -3.807 -1.943 1.00 13.17 N ATOM 1268 CA SER A 90 13.444 -4.209 -0.593 1.00 13.84 C ATOM 1269 C SER A 90 12.037 -3.731 -0.254 1.00 14.66 C ATOM 1270 O SER A 90 11.667 -2.578 -0.530 1.00 14.48 O ATOM 1271 CB SER A 90 14.398 -3.632 0.441 1.00 12.79 C ATOM 1272 OG SER A 90 14.049 -4.076 1.726 1.00 13.14 O ATOM 1273 HA SER A 90 13.475 -5.298 -0.569 1.00 0.00 H ATOM 1274 HB2 SER A 90 14.347 -2.544 0.410 1.00 0.00 H ATOM 1275 HB3 SER A 90 15.414 -3.954 0.213 1.00 0.00 H ATOM 1276 HG SER A 90 14.678 -3.693 2.388 1.00 0.00 H ATOM 1277 H SER A 90 14.658 -3.182 -2.064 1.00 0.00 H ATOM 1278 N LYS A 91 11.268 -4.621 0.371 1.00 15.07 N ATOM 1279 CA LYS A 91 9.902 -4.299 0.737 1.00 15.24 C ATOM 1280 C LYS A 91 9.448 -5.242 1.822 1.00 14.06 C ATOM 1281 O LYS A 91 9.244 -6.425 1.592 1.00 13.93 O ATOM 1282 CB LYS A 91 8.986 -4.404 -0.486 1.00 16.64 C ATOM 1283 CG LYS A 91 7.570 -3.978 -0.178 1.00 19.26 C ATOM 1284 CD LYS A 91 6.740 -4.033 -1.446 1.00 21.72 C ATOM 1285 CE LYS A 91 5.646 -2.967 -1.433 1.00 23.74 C ATOM 1286 NZ LYS A 91 4.864 -2.927 -0.136 1.00 26.15 N ATOM 1287 HA LYS A 91 9.854 -3.275 1.107 1.00 0.00 H ATOM 1288 HB2 LYS A 91 9.381 -3.765 -1.276 1.00 0.00 H ATOM 1289 HB3 LYS A 91 8.975 -5.439 -0.828 1.00 0.00 H ATOM 1290 HG2 LYS A 91 7.142 -4.649 0.567 1.00 0.00 H ATOM 1291 HG3 LYS A 91 7.573 -2.960 0.211 1.00 0.00 H ATOM 1292 HD2 LYS A 91 7.390 -3.866 -2.305 1.00 0.00 H ATOM 1293 HD3 LYS A 91 6.278 -5.017 -1.527 1.00 0.00 H ATOM 1294 HE2 LYS A 91 4.953 -3.172 -2.249 1.00 0.00 H ATOM 1295 HE3 LYS A 91 6.110 -1.993 -1.588 1.00 0.00 H ATOM 1296 HZ1 LYS A 91 4.407 -3.848 0.020 1.00 0.00 H ATOM 1297 HZ2 LYS A 91 5.511 -2.722 0.652 1.00 0.00 H ATOM 1298 HZ3 LYS A 91 4.139 -2.184 -0.193 1.00 0.00 H ATOM 1299 H LYS A 91 11.652 -5.560 0.600 1.00 0.00 H ATOM 1300 N TYR A 92 9.312 -4.696 3.019 1.00 13.20 N ATOM 1301 CA TYR A 92 8.908 -5.482 4.177 1.00 12.94 C ATOM 1302 C TYR A 92 7.650 -6.297 3.871 1.00 13.32 C ATOM 1303 O TYR A 92 6.741 -5.791 3.203 1.00 14.45 O ATOM 1304 CB TYR A 92 8.661 -4.559 5.370 1.00 12.29 C ATOM 1305 CG TYR A 92 8.421 -5.315 6.624 1.00 10.13 C ATOM 1306 CD1 TYR A 92 9.475 -5.779 7.396 1.00 10.47 C ATOM 1307 CD2 TYR A 92 7.124 -5.594 7.044 1.00 10.81 C ATOM 1308 CE1 TYR A 92 9.250 -6.521 8.588 1.00 9.81 C ATOM 1309 CE2 TYR A 92 6.882 -6.321 8.220 1.00 10.19 C ATOM 1310 CZ TYR A 92 7.939 -6.780 8.984 1.00 10.46 C ATOM 1311 OH TYR A 92 7.674 -7.492 10.124 1.00 11.55 O ATOM 1312 HA TYR A 92 9.712 -6.177 4.421 1.00 0.00 H ATOM 1313 HB3 TYR A 92 7.789 -3.940 5.161 1.00 0.00 H ATOM 1314 HB2 TYR A 92 9.534 -3.920 5.506 1.00 0.00 H ATOM 1315 HD2 TYR A 92 6.281 -5.242 6.449 1.00 0.00 H ATOM 1316 HE2 TYR A 92 5.858 -6.524 8.532 1.00 0.00 H ATOM 1317 HE1 TYR A 92 10.089 -6.881 9.183 1.00 0.00 H ATOM 1318 HD1 TYR A 92 10.498 -5.571 7.083 1.00 0.00 H ATOM 1319 HH TYR A 92 8.526 -7.748 10.557 1.00 0.00 H ATOM 1320 H TYR A 92 9.498 -3.680 3.136 1.00 0.00 H ATOM 1321 N PRO A 93 7.577 -7.563 4.343 1.00 13.71 N ATOM 1322 CA PRO A 93 8.548 -8.306 5.150 1.00 13.60 C ATOM 1323 C PRO A 93 9.602 -8.981 4.326 1.00 13.10 C ATOM 1324 O PRO A 93 10.232 -9.898 4.808 1.00 14.43 O ATOM 1325 CB PRO A 93 7.699 -9.351 5.847 1.00 13.41 C ATOM 1326 CG PRO A 93 6.743 -9.736 4.721 1.00 14.08 C ATOM 1327 CD PRO A 93 6.401 -8.414 4.047 1.00 14.06 C ATOM 1328 HA PRO A 93 9.093 -7.643 5.822 1.00 0.00 H ATOM 1329 HD3 PRO A 93 6.275 -8.545 2.972 1.00 0.00 H ATOM 1330 HD2 PRO A 93 5.492 -7.984 4.469 1.00 0.00 H ATOM 1331 HG3 PRO A 93 5.846 -10.209 5.121 1.00 0.00 H ATOM 1332 HG2 PRO A 93 7.227 -10.414 4.018 1.00 0.00 H ATOM 1333 HB2 PRO A 93 8.297 -10.201 6.175 1.00 0.00 H ATOM 1334 HB3 PRO A 93 7.166 -8.932 6.701 1.00 0.00 H ATOM 1335 N ASN A 94 9.768 -8.574 3.082 1.00 12.92 N ATOM 1336 CA ASN A 94 10.825 -9.169 2.261 1.00 13.23 C ATOM 1337 C ASN A 94 11.968 -8.149 2.128 1.00 12.06 C ATOM 1338 O ASN A 94 12.136 -7.515 1.078 1.00 11.18 O ATOM 1339 CB ASN A 94 10.264 -9.540 0.897 1.00 13.46 C ATOM 1340 CG ASN A 94 9.316 -10.690 0.981 1.00 14.49 C ATOM 1341 OD1 ASN A 94 9.678 -11.764 1.459 1.00 15.01 O ATOM 1342 ND2 ASN A 94 8.078 -10.477 0.544 1.00 15.65 N ATOM 1343 HA ASN A 94 11.207 -10.078 2.726 1.00 0.00 H ATOM 1344 HB2 ASN A 94 9.738 -8.678 0.485 1.00 0.00 H ATOM 1345 HB3 ASN A 94 11.089 -9.810 0.238 1.00 0.00 H ATOM 1346 HD22 ASN A 94 7.819 -9.551 0.147 1.00 0.00 H ATOM 1347 HD21 ASN A 94 7.369 -11.236 0.599 1.00 0.00 H ATOM 1348 H ASN A 94 9.152 -7.835 2.687 1.00 0.00 H ATOM 1349 N CYS A 95 12.731 -7.982 3.213 1.00 10.63 N ATOM 1350 CA CYS A 95 13.828 -7.020 3.247 1.00 10.24 C ATOM 1351 C CYS A 95 14.994 -7.463 2.384 1.00 10.07 C ATOM 1352 O CYS A 95 15.188 -8.658 2.177 1.00 10.93 O ATOM 1353 CB CYS A 95 14.280 -6.811 4.690 1.00 9.95 C ATOM 1354 SG CYS A 95 12.924 -6.267 5.780 1.00 10.69 S ATOM 1355 HA CYS A 95 13.465 -6.077 2.838 1.00 0.00 H ATOM 1356 HB2 CYS A 95 15.064 -6.054 4.704 1.00 0.00 H ATOM 1357 HB3 CYS A 95 14.678 -7.752 5.071 1.00 0.00 H ATOM 1358 HG CYS A 95 12.134 -7.226 5.180 1.00 0.00 H ATOM 1359 H CYS A 95 12.537 -8.555 4.059 1.00 0.00 H ATOM 1360 N ALA A 96 15.759 -6.509 1.859 1.00 9.38 N ATOM 1361 CA ALA A 96 16.908 -6.843 1.001 1.00 9.63 C ATOM 1362 C ALA A 96 17.964 -5.779 1.191 1.00 9.59 C ATOM 1363 O ALA A 96 17.652 -4.593 1.181 1.00 10.52 O ATOM 1364 CB ALA A 96 16.498 -6.876 -0.434 1.00 9.90 C ATOM 1365 HA ALA A 96 17.293 -7.825 1.274 1.00 0.00 H ATOM 1366 HB1 ALA A 96 15.722 -7.629 -0.572 1.00 0.00 H ATOM 1367 HB2 ALA A 96 16.112 -5.898 -0.723 1.00 0.00 H ATOM 1368 HB3 ALA A 96 17.361 -7.125 -1.052 1.00 0.00 H ATOM 1369 H ALA A 96 15.542 -5.512 2.058 1.00 0.00 H ATOM 1370 N TYR A 97 19.216 -6.212 1.321 1.00 9.27 N ATOM 1371 CA TYR A 97 20.352 -5.337 1.592 1.00 9.28 C ATOM 1372 C TYR A 97 21.556 -5.524 0.689 1.00 9.63 C ATOM 1373 O TYR A 97 21.860 -6.643 0.258 1.00 10.37 O ATOM 1374 CB TYR A 97 20.847 -5.587 3.033 1.00 7.81 C ATOM 1375 CG TYR A 97 19.837 -5.193 4.066 1.00 7.40 C ATOM 1376 CD1 TYR A 97 18.871 -6.089 4.491 1.00 7.04 C ATOM 1377 CD2 TYR A 97 19.815 -3.908 4.575 1.00 6.56 C ATOM 1378 CE1 TYR A 97 17.874 -5.716 5.414 1.00 6.69 C ATOM 1379 CE2 TYR A 97 18.834 -3.513 5.496 1.00 6.20 C ATOM 1380 CZ TYR A 97 17.863 -4.429 5.904 1.00 6.28 C ATOM 1381 OH TYR A 97 16.850 -4.032 6.765 1.00 7.08 O ATOM 1382 HA TYR A 97 19.970 -4.331 1.419 1.00 0.00 H ATOM 1383 HB3 TYR A 97 21.756 -5.008 3.195 1.00 0.00 H ATOM 1384 HB2 TYR A 97 21.068 -6.648 3.147 1.00 0.00 H ATOM 1385 HD2 TYR A 97 20.571 -3.191 4.256 1.00 0.00 H ATOM 1386 HE2 TYR A 97 18.830 -2.497 5.891 1.00 0.00 H ATOM 1387 HE1 TYR A 97 17.122 -6.436 5.736 1.00 0.00 H ATOM 1388 HD1 TYR A 97 18.882 -7.107 4.102 1.00 0.00 H ATOM 1389 HH TYR A 97 17.247 -3.710 7.613 1.00 0.00 H ATOM 1390 H TYR A 97 19.395 -7.232 1.224 1.00 0.00 H ATOM 1391 N LYS A 98 22.244 -4.407 0.463 1.00 10.47 N ATOM 1392 CA LYS A 98 23.502 -4.331 -0.290 1.00 11.41 C ATOM 1393 C LYS A 98 24.554 -4.322 0.846 1.00 11.44 C ATOM 1394 O LYS A 98 24.432 -3.546 1.813 1.00 11.38 O ATOM 1395 CB LYS A 98 23.583 -3.002 -1.068 1.00 12.52 C ATOM 1396 CG LYS A 98 24.896 -2.772 -1.846 1.00 15.14 C ATOM 1397 CD LYS A 98 25.139 -1.254 -2.090 1.00 16.47 C ATOM 1398 CE LYS A 98 26.183 -0.981 -3.166 1.00 18.21 C ATOM 1399 NZ LYS A 98 26.143 0.446 -3.675 1.00 18.68 N ATOM 1400 HA LYS A 98 23.625 -5.132 -1.019 1.00 0.00 H ATOM 1401 HB2 LYS A 98 22.760 -2.979 -1.782 1.00 0.00 H ATOM 1402 HB3 LYS A 98 23.467 -2.186 -0.355 1.00 0.00 H ATOM 1403 HG2 LYS A 98 25.728 -3.179 -1.271 1.00 0.00 H ATOM 1404 HG3 LYS A 98 24.836 -3.283 -2.807 1.00 0.00 H ATOM 1405 HD2 LYS A 98 24.198 -0.796 -2.395 1.00 0.00 H ATOM 1406 HD3 LYS A 98 25.476 -0.802 -1.157 1.00 0.00 H ATOM 1407 HE2 LYS A 98 26.004 -1.655 -4.004 1.00 0.00 H ATOM 1408 HE3 LYS A 98 27.172 -1.175 -2.750 1.00 0.00 H ATOM 1409 HZ1 LYS A 98 25.207 0.641 -4.083 1.00 0.00 H ATOM 1410 HZ2 LYS A 98 26.321 1.099 -2.886 1.00 0.00 H ATOM 1411 HZ3 LYS A 98 26.874 0.573 -4.404 1.00 0.00 H ATOM 1412 H LYS A 98 21.861 -3.521 0.849 1.00 0.00 H ATOM 1413 N THR A 99 25.556 -5.194 0.725 1.00 10.74 N ATOM 1414 CA THR A 99 26.646 -5.328 1.682 1.00 10.20 C ATOM 1415 C THR A 99 27.881 -4.608 1.118 1.00 10.66 C ATOM 1416 O THR A 99 28.259 -4.844 -0.041 1.00 11.16 O ATOM 1417 CB THR A 99 27.026 -6.819 1.861 1.00 9.98 C ATOM 1418 OG1 THR A 99 25.893 -7.536 2.345 1.00 9.92 O ATOM 1419 CG2 THR A 99 28.221 -6.989 2.832 1.00 9.77 C ATOM 1420 HA THR A 99 26.330 -4.906 2.636 1.00 0.00 H ATOM 1421 HB THR A 99 27.332 -7.217 0.893 1.00 0.00 H ATOM 1422 HG1 THR A 99 25.151 -7.457 1.694 1.00 0.00 H ATOM 1423 HG23 THR A 99 29.079 -6.436 2.450 1.00 0.00 H ATOM 1424 HG21 THR A 99 27.947 -6.604 3.814 1.00 0.00 H ATOM 1425 HG22 THR A 99 28.475 -8.046 2.913 1.00 0.00 H ATOM 1426 H THR A 99 25.559 -5.819 -0.106 1.00 0.00 H ATOM 1427 N THR A 100 28.514 -3.758 1.925 1.00 10.81 N ATOM 1428 CA THR A 100 29.727 -3.026 1.509 1.00 11.70 C ATOM 1429 C THR A 100 30.731 -3.029 2.676 1.00 12.79 C ATOM 1430 O THR A 100 30.467 -2.482 3.760 1.00 11.32 O ATOM 1431 CB THR A 100 29.429 -1.527 1.110 1.00 11.61 C ATOM 1432 OG1 THR A 100 28.381 -1.474 0.135 1.00 12.47 O ATOM 1433 CG2 THR A 100 30.685 -0.850 0.508 1.00 12.22 C ATOM 1434 HA THR A 100 30.127 -3.530 0.629 1.00 0.00 H ATOM 1435 HB THR A 100 29.131 -1.000 2.017 1.00 0.00 H ATOM 1436 HG1 THR A 100 27.560 -1.879 0.512 1.00 0.00 H ATOM 1437 HG23 THR A 100 31.496 -0.880 1.236 1.00 0.00 H ATOM 1438 HG21 THR A 100 30.985 -1.382 -0.395 1.00 0.00 H ATOM 1439 HG22 THR A 100 30.454 0.186 0.261 1.00 0.00 H ATOM 1440 H THR A 100 28.140 -3.604 2.883 1.00 0.00 H ATOM 1441 N GLN A 101 31.876 -3.669 2.466 1.00 13.99 N ATOM 1442 CA GLN A 101 32.903 -3.691 3.517 1.00 16.46 C ATOM 1443 C GLN A 101 33.839 -2.539 3.250 1.00 16.04 C ATOM 1444 O GLN A 101 34.157 -2.246 2.086 1.00 16.52 O ATOM 1445 CB GLN A 101 33.752 -4.966 3.513 1.00 18.64 C ATOM 1446 CG GLN A 101 33.061 -6.200 3.116 1.00 23.13 C ATOM 1447 CD GLN A 101 33.982 -7.395 3.218 1.00 25.98 C ATOM 1448 OE1 GLN A 101 33.716 -8.328 3.983 1.00 29.25 O ATOM 1449 NE2 GLN A 101 35.089 -7.372 2.456 1.00 28.34 N ATOM 1450 HA GLN A 101 32.392 -3.634 4.478 1.00 0.00 H ATOM 1451 HB2 GLN A 101 34.582 -4.812 2.823 1.00 0.00 H ATOM 1452 HB3 GLN A 101 34.141 -5.111 4.521 1.00 0.00 H ATOM 1453 HG2 GLN A 101 32.203 -6.354 3.770 1.00 0.00 H ATOM 1454 HG3 GLN A 101 32.718 -6.101 2.086 1.00 0.00 H ATOM 1455 HE22 GLN A 101 35.270 -6.564 1.827 1.00 0.00 H ATOM 1456 HE21 GLN A 101 35.764 -8.162 2.496 1.00 0.00 H ATOM 1457 H GLN A 101 32.045 -4.153 1.561 1.00 0.00 H ATOM 1458 N VAL A 102 34.272 -1.882 4.316 1.00 15.32 N ATOM 1459 CA VAL A 102 35.192 -0.765 4.194 1.00 14.85 C ATOM 1460 C VAL A 102 35.937 -0.694 5.496 1.00 14.53 C ATOM 1461 O VAL A 102 35.606 -1.376 6.449 1.00 13.53 O ATOM 1462 CB VAL A 102 34.448 0.585 3.980 1.00 14.94 C ATOM 1463 CG1 VAL A 102 33.801 0.604 2.631 1.00 17.43 C ATOM 1464 CG2 VAL A 102 33.368 0.780 5.052 1.00 14.72 C ATOM 1465 HA VAL A 102 35.843 -0.919 3.333 1.00 0.00 H ATOM 1466 HB VAL A 102 35.178 1.392 4.052 1.00 0.00 H ATOM 1467 HG11 VAL A 102 34.564 0.488 1.862 1.00 0.00 H ATOM 1468 HG12 VAL A 102 33.086 -0.216 2.561 1.00 0.00 H ATOM 1469 HG13 VAL A 102 33.283 1.553 2.491 1.00 0.00 H ATOM 1470 HG21 VAL A 102 32.647 -0.035 4.992 1.00 0.00 H ATOM 1471 HG22 VAL A 102 33.833 0.784 6.038 1.00 0.00 H ATOM 1472 HG23 VAL A 102 32.859 1.729 4.885 1.00 0.00 H ATOM 1473 H VAL A 102 33.946 -2.172 5.260 1.00 0.00 H ATOM 1474 N GLU A 103 36.963 0.137 5.525 1.00 14.86 N ATOM 1475 CA GLU A 103 37.737 0.333 6.728 1.00 15.27 C ATOM 1476 C GLU A 103 37.635 1.824 6.957 1.00 14.64 C ATOM 1477 O GLU A 103 38.112 2.601 6.146 1.00 15.24 O ATOM 1478 CB GLU A 103 39.182 -0.128 6.512 1.00 17.05 C ATOM 1479 CG GLU A 103 39.303 -1.645 6.686 1.00 19.15 C ATOM 1480 CD GLU A 103 40.721 -2.174 6.624 1.00 21.07 C ATOM 1481 OE1 GLU A 103 41.640 -1.524 7.185 1.00 22.20 O ATOM 1482 OE2 GLU A 103 40.906 -3.257 6.017 1.00 21.62 O ATOM 1483 HA GLU A 103 37.383 -0.240 7.585 1.00 0.00 H ATOM 1484 HB2 GLU A 103 39.496 0.142 5.504 1.00 0.00 H ATOM 1485 HB3 GLU A 103 39.827 0.367 7.237 1.00 0.00 H ATOM 1486 HG2 GLU A 103 38.882 -1.911 7.656 1.00 0.00 H ATOM 1487 HG3 GLU A 103 38.725 -2.126 5.896 1.00 0.00 H ATOM 1488 H GLU A 103 37.219 0.661 4.664 1.00 0.00 H ATOM 1489 N LYS A 104 36.967 2.220 8.036 1.00 13.48 N ATOM 1490 CA LYS A 104 36.784 3.633 8.360 1.00 12.30 C ATOM 1491 C LYS A 104 36.780 3.831 9.849 1.00 11.51 C ATOM 1492 O LYS A 104 36.742 2.865 10.612 1.00 10.69 O ATOM 1493 CB LYS A 104 35.437 4.144 7.863 1.00 14.89 C ATOM 1494 CG LYS A 104 35.098 3.784 6.452 1.00 16.36 C ATOM 1495 CD LYS A 104 33.648 4.084 6.228 1.00 19.58 C ATOM 1496 CE LYS A 104 33.470 5.494 5.734 1.00 20.98 C ATOM 1497 NZ LYS A 104 34.166 5.624 4.416 1.00 24.22 N ATOM 1498 HA LYS A 104 37.603 4.171 7.883 1.00 0.00 H ATOM 1499 HB2 LYS A 104 34.662 3.735 8.511 1.00 0.00 H ATOM 1500 HB3 LYS A 104 35.439 5.231 7.942 1.00 0.00 H ATOM 1501 HG2 LYS A 104 35.707 4.371 5.765 1.00 0.00 H ATOM 1502 HG3 LYS A 104 35.286 2.723 6.286 1.00 0.00 H ATOM 1503 HD2 LYS A 104 33.249 3.391 5.487 1.00 0.00 H ATOM 1504 HD3 LYS A 104 33.107 3.962 7.166 1.00 0.00 H ATOM 1505 HE2 LYS A 104 33.903 6.193 6.450 1.00 0.00 H ATOM 1506 HE3 LYS A 104 32.409 5.711 5.613 1.00 0.00 H ATOM 1507 HZ1 LYS A 104 35.177 5.414 4.537 1.00 0.00 H ATOM 1508 HZ2 LYS A 104 33.750 4.954 3.738 1.00 0.00 H ATOM 1509 HZ3 LYS A 104 34.053 6.594 4.060 1.00 0.00 H ATOM 1510 H LYS A 104 36.562 1.501 8.669 1.00 0.00 H ATOM 1511 N HIS A 105 36.814 5.088 10.272 1.00 10.47 N ATOM 1512 CA HIS A 105 36.742 5.365 11.691 1.00 10.61 C ATOM 1513 C HIS A 105 35.240 5.277 12.053 1.00 10.26 C ATOM 1514 O HIS A 105 34.375 5.520 11.204 1.00 10.59 O ATOM 1515 CB HIS A 105 37.242 6.792 12.005 1.00 12.22 C ATOM 1516 CG HIS A 105 38.730 6.960 11.885 1.00 12.49 C ATOM 1517 ND1 HIS A 105 39.589 7.045 12.966 1.00 14.04 N ATOM 1518 CD2 HIS A 105 39.520 7.000 10.777 1.00 13.27 C ATOM 1519 CE1 HIS A 105 40.865 7.121 12.491 1.00 12.96 C ATOM 1520 NE2 HIS A 105 40.880 7.098 11.171 1.00 13.00 N ATOM 1521 HA HIS A 105 37.360 4.665 12.253 1.00 0.00 H ATOM 1522 HB2 HIS A 105 36.762 7.483 11.312 1.00 0.00 H ATOM 1523 HB3 HIS A 105 36.950 7.041 13.025 1.00 0.00 H ATOM 1524 HD2 HIS A 105 39.164 6.963 9.748 1.00 0.00 H ATOM 1525 HE1 HIS A 105 41.754 7.191 13.118 1.00 0.00 H ATOM 1526 H HIS A 105 36.892 5.869 9.589 1.00 0.00 H ATOM 1527 N ILE A 106 34.941 4.913 13.298 1.00 10.01 N ATOM 1528 CA ILE A 106 33.553 4.887 13.749 1.00 9.02 C ATOM 1529 C ILE A 106 33.347 5.957 14.810 1.00 9.52 C ATOM 1530 O ILE A 106 34.298 6.374 15.498 1.00 8.94 O ATOM 1531 CB ILE A 106 33.116 3.511 14.301 1.00 8.60 C ATOM 1532 CG1 ILE A 106 33.823 3.199 15.637 1.00 8.83 C ATOM 1533 CG2 ILE A 106 33.376 2.442 13.251 1.00 9.16 C ATOM 1534 CD1 ILE A 106 33.334 1.914 16.354 1.00 7.25 C ATOM 1535 HA ILE A 106 32.930 5.085 12.877 1.00 0.00 H ATOM 1536 HB ILE A 106 32.047 3.528 14.514 1.00 0.00 H ATOM 1537 HG12 ILE A 106 34.889 3.090 15.438 1.00 0.00 H ATOM 1538 HG13 ILE A 106 33.664 4.042 16.309 1.00 0.00 H ATOM 1539 HD11 ILE A 106 32.271 2.006 16.577 1.00 0.00 H ATOM 1540 HD12 ILE A 106 33.497 1.053 15.706 1.00 0.00 H ATOM 1541 HD13 ILE A 106 33.891 1.783 17.282 1.00 0.00 H ATOM 1542 HG21 ILE A 106 32.806 2.672 12.351 1.00 0.00 H ATOM 1543 HG22 ILE A 106 34.439 2.419 13.013 1.00 0.00 H ATOM 1544 HG23 ILE A 106 33.068 1.471 13.639 1.00 0.00 H ATOM 1545 H ILE A 106 35.702 4.645 13.954 1.00 0.00 H ATOM 1546 N ILE A 107 32.115 6.463 14.889 1.00 8.87 N ATOM 1547 CA ILE A 107 31.779 7.460 15.889 1.00 8.83 C ATOM 1548 C ILE A 107 30.595 6.853 16.635 1.00 8.84 C ATOM 1549 O ILE A 107 29.601 6.492 16.001 1.00 7.68 O ATOM 1550 CB ILE A 107 31.352 8.814 15.274 1.00 9.17 C ATOM 1551 CG1 ILE A 107 32.527 9.438 14.524 1.00 9.17 C ATOM 1552 CG2 ILE A 107 30.896 9.742 16.401 1.00 8.96 C ATOM 1553 CD1 ILE A 107 32.166 10.646 13.728 1.00 10.03 C ATOM 1554 HA ILE A 107 32.642 7.680 16.517 1.00 0.00 H ATOM 1555 HB ILE A 107 30.534 8.661 14.570 1.00 0.00 H ATOM 1556 HG12 ILE A 107 33.287 9.722 15.252 1.00 0.00 H ATOM 1557 HG13 ILE A 107 32.937 8.690 13.845 1.00 0.00 H ATOM 1558 HD11 ILE A 107 31.415 10.379 12.985 1.00 0.00 H ATOM 1559 HD12 ILE A 107 31.765 11.411 14.393 1.00 0.00 H ATOM 1560 HD13 ILE A 107 33.055 11.028 13.226 1.00 0.00 H ATOM 1561 HG21 ILE A 107 30.053 9.290 16.924 1.00 0.00 H ATOM 1562 HG22 ILE A 107 31.719 9.895 17.099 1.00 0.00 H ATOM 1563 HG23 ILE A 107 30.592 10.700 15.980 1.00 0.00 H ATOM 1564 H ILE A 107 31.384 6.138 14.224 1.00 0.00 H ATOM 1565 N VAL A 108 30.724 6.728 17.961 1.00 8.57 N ATOM 1566 CA VAL A 108 29.673 6.141 18.786 1.00 8.72 C ATOM 1567 C VAL A 108 29.327 7.040 19.943 1.00 8.98 C ATOM 1568 O VAL A 108 30.171 7.811 20.391 1.00 9.42 O ATOM 1569 CB VAL A 108 30.108 4.771 19.367 1.00 9.04 C ATOM 1570 CG1 VAL A 108 30.275 3.763 18.263 1.00 9.47 C ATOM 1571 CG2 VAL A 108 31.448 4.915 20.154 1.00 9.94 C ATOM 1572 HA VAL A 108 28.807 6.011 18.137 1.00 0.00 H ATOM 1573 HB VAL A 108 29.331 4.426 20.049 1.00 0.00 H ATOM 1574 HG11 VAL A 108 29.328 3.642 17.737 1.00 0.00 H ATOM 1575 HG12 VAL A 108 31.037 4.112 17.566 1.00 0.00 H ATOM 1576 HG13 VAL A 108 30.581 2.807 18.689 1.00 0.00 H ATOM 1577 HG21 VAL A 108 32.225 5.279 19.482 1.00 0.00 H ATOM 1578 HG22 VAL A 108 31.313 5.622 20.973 1.00 0.00 H ATOM 1579 HG23 VAL A 108 31.739 3.944 20.555 1.00 0.00 H ATOM 1580 H VAL A 108 31.598 7.059 18.417 1.00 0.00 H ATOM 1581 N ALA A 109 28.080 6.967 20.408 1.00 8.74 N ATOM 1582 CA ALA A 109 27.683 7.715 21.598 1.00 9.84 C ATOM 1583 C ALA A 109 27.963 6.735 22.759 1.00 10.51 C ATOM 1584 O ALA A 109 27.816 5.518 22.608 1.00 10.37 O ATOM 1585 CB ALA A 109 26.200 8.092 21.558 1.00 8.84 C ATOM 1586 HA ALA A 109 28.223 8.657 21.692 1.00 0.00 H ATOM 1587 HB1 ALA A 109 26.007 8.711 20.682 1.00 0.00 H ATOM 1588 HB2 ALA A 109 25.597 7.185 21.504 1.00 0.00 H ATOM 1589 HB3 ALA A 109 25.943 8.647 22.460 1.00 0.00 H ATOM 1590 H ALA A 109 27.382 6.371 19.918 1.00 0.00 H ATOM 1591 N CYS A 110 28.392 7.258 23.900 1.00 11.58 N ATOM 1592 CA CYS A 110 28.687 6.394 25.047 1.00 12.55 C ATOM 1593 C CYS A 110 27.892 6.847 26.257 1.00 13.31 C ATOM 1594 O CYS A 110 27.630 8.033 26.445 1.00 13.29 O ATOM 1595 CB CYS A 110 30.190 6.418 25.369 1.00 13.06 C ATOM 1596 SG CYS A 110 31.255 5.769 24.040 1.00 14.56 S ATOM 1597 HA CYS A 110 28.402 5.373 24.793 1.00 0.00 H ATOM 1598 HB2 CYS A 110 30.357 5.818 26.264 1.00 0.00 H ATOM 1599 HB3 CYS A 110 30.480 7.450 25.566 1.00 0.00 H ATOM 1600 HG CYS A 110 30.091 5.338 23.437 1.00 0.00 H ATOM 1601 H CYS A 110 28.520 8.287 23.981 1.00 0.00 H ATOM 1602 N GLY A 111 27.508 5.887 27.082 1.00 13.41 N ATOM 1603 CA GLY A 111 26.742 6.216 28.257 1.00 14.36 C ATOM 1604 C GLY A 111 26.814 5.111 29.297 1.00 15.11 C ATOM 1605 O GLY A 111 27.292 3.997 29.023 1.00 14.74 O ATOM 1606 HA3 GLY A 111 25.701 6.366 27.971 1.00 0.00 H ATOM 1607 HA2 GLY A 111 27.135 7.136 28.690 1.00 0.00 H ATOM 1608 H GLY A 111 27.758 4.897 26.883 1.00 0.00 H ATOM 1609 N GLY A 112 26.328 5.436 30.489 1.00 15.83 N ATOM 1610 CA GLY A 112 26.308 4.493 31.591 1.00 17.68 C ATOM 1611 C GLY A 112 27.587 4.555 32.389 1.00 18.78 C ATOM 1612 O GLY A 112 28.521 5.294 32.041 1.00 17.97 O ATOM 1613 HA3 GLY A 112 26.185 3.485 31.194 1.00 0.00 H ATOM 1614 HA2 GLY A 112 25.469 4.729 32.246 1.00 0.00 H ATOM 1615 H GLY A 112 25.951 6.394 30.637 1.00 0.00 H ATOM 1616 N LYS A 113 27.607 3.783 33.476 1.00 20.32 N ATOM 1617 CA LYS A 113 28.774 3.665 34.363 1.00 21.82 C ATOM 1618 C LYS A 113 28.979 2.172 34.490 1.00 21.19 C ATOM 1619 O LYS A 113 28.136 1.483 35.066 1.00 22.51 O ATOM 1620 CB LYS A 113 28.489 4.249 35.762 1.00 23.92 C ATOM 1621 CG LYS A 113 28.810 5.761 35.929 1.00 26.51 C ATOM 1622 CD LYS A 113 29.677 6.292 34.768 1.00 28.62 C ATOM 1623 CE LYS A 113 30.452 7.565 35.097 1.00 29.97 C ATOM 1624 NZ LYS A 113 31.224 7.899 33.847 1.00 31.18 N ATOM 1625 HA LYS A 113 29.634 4.204 33.967 1.00 0.00 H ATOM 1626 HB2 LYS A 113 27.431 4.103 35.979 1.00 0.00 H ATOM 1627 HB3 LYS A 113 29.087 3.696 36.486 1.00 0.00 H ATOM 1628 HG2 LYS A 113 27.875 6.320 35.956 1.00 0.00 H ATOM 1629 HG3 LYS A 113 29.347 5.907 36.866 1.00 0.00 H ATOM 1630 HD2 LYS A 113 30.393 5.517 34.493 1.00 0.00 H ATOM 1631 HD3 LYS A 113 29.024 6.499 33.920 1.00 0.00 H ATOM 1632 HE2 LYS A 113 31.132 7.393 35.931 1.00 0.00 H ATOM 1633 HE3 LYS A 113 29.767 8.374 35.350 1.00 0.00 H ATOM 1634 HZ1 LYS A 113 31.864 7.113 33.616 1.00 0.00 H ATOM 1635 HZ2 LYS A 113 30.560 8.050 33.061 1.00 0.00 H ATOM 1636 HZ3 LYS A 113 31.779 8.764 34.005 1.00 0.00 H ATOM 1637 H LYS A 113 26.753 3.236 33.708 1.00 0.00 H ATOM 1638 N PRO A 114 30.063 1.635 33.897 1.00 20.38 N ATOM 1639 CA PRO A 114 31.094 2.346 33.116 1.00 19.36 C ATOM 1640 C PRO A 114 30.550 2.848 31.753 1.00 17.94 C ATOM 1641 O PRO A 114 29.590 2.296 31.205 1.00 17.95 O ATOM 1642 CB PRO A 114 32.163 1.286 32.922 1.00 19.33 C ATOM 1643 CG PRO A 114 31.336 0.013 32.835 1.00 19.55 C ATOM 1644 CD PRO A 114 30.296 0.179 33.895 1.00 19.60 C ATOM 1645 HA PRO A 114 31.456 3.244 33.617 1.00 0.00 H ATOM 1646 HD3 PRO A 114 29.386 -0.364 33.641 1.00 0.00 H ATOM 1647 HD2 PRO A 114 30.663 -0.162 34.863 1.00 0.00 H ATOM 1648 HG3 PRO A 114 31.953 -0.864 33.032 1.00 0.00 H ATOM 1649 HG2 PRO A 114 30.875 -0.083 31.852 1.00 0.00 H ATOM 1650 HB2 PRO A 114 32.727 1.455 32.005 1.00 0.00 H ATOM 1651 HB3 PRO A 114 32.849 1.256 33.769 1.00 0.00 H ATOM 1652 N SER A 115 31.177 3.884 31.222 1.00 16.86 N ATOM 1653 CA SER A 115 30.770 4.456 29.950 1.00 15.72 C ATOM 1654 C SER A 115 31.016 3.438 28.838 1.00 14.49 C ATOM 1655 O SER A 115 32.159 3.037 28.604 1.00 14.55 O ATOM 1656 CB SER A 115 31.598 5.718 29.680 1.00 16.07 C ATOM 1657 OG SER A 115 31.304 6.311 28.416 1.00 17.42 O ATOM 1658 HA SER A 115 29.711 4.712 29.981 1.00 0.00 H ATOM 1659 HB2 SER A 115 32.655 5.453 29.704 1.00 0.00 H ATOM 1660 HB3 SER A 115 31.390 6.446 30.464 1.00 0.00 H ATOM 1661 HG SER A 115 31.864 7.118 28.293 1.00 0.00 H ATOM 1662 H SER A 115 31.984 4.301 31.729 1.00 0.00 H ATOM 1663 N VAL A 116 29.951 3.007 28.165 1.00 13.16 N ATOM 1664 CA VAL A 116 30.102 2.052 27.077 1.00 11.70 C ATOM 1665 C VAL A 116 29.304 2.531 25.862 1.00 11.17 C ATOM 1666 O VAL A 116 28.445 3.407 25.983 1.00 10.84 O ATOM 1667 CB VAL A 116 29.604 0.625 27.496 1.00 12.16 C ATOM 1668 CG1 VAL A 116 30.434 0.110 28.675 1.00 11.90 C ATOM 1669 CG2 VAL A 116 28.095 0.645 27.822 1.00 11.54 C ATOM 1670 HA VAL A 116 31.161 1.985 26.829 1.00 0.00 H ATOM 1671 HB VAL A 116 29.742 -0.061 26.660 1.00 0.00 H ATOM 1672 HG11 VAL A 116 31.483 0.054 28.383 1.00 0.00 H ATOM 1673 HG12 VAL A 116 30.326 0.792 29.519 1.00 0.00 H ATOM 1674 HG13 VAL A 116 30.082 -0.881 28.960 1.00 0.00 H ATOM 1675 HG21 VAL A 116 27.911 1.337 28.644 1.00 0.00 H ATOM 1676 HG22 VAL A 116 27.539 0.968 26.942 1.00 0.00 H ATOM 1677 HG23 VAL A 116 27.773 -0.356 28.110 1.00 0.00 H ATOM 1678 H VAL A 116 29.004 3.355 28.419 1.00 0.00 H ATOM 1679 N PRO A 117 29.583 1.974 24.670 1.00 11.16 N ATOM 1680 CA PRO A 117 28.807 2.428 23.506 1.00 11.06 C ATOM 1681 C PRO A 117 27.292 2.177 23.633 1.00 10.10 C ATOM 1682 O PRO A 117 26.856 1.080 24.017 1.00 10.57 O ATOM 1683 CB PRO A 117 29.438 1.647 22.332 1.00 11.39 C ATOM 1684 CG PRO A 117 30.838 1.276 22.830 1.00 10.43 C ATOM 1685 CD PRO A 117 30.582 0.954 24.282 1.00 10.99 C ATOM 1686 HA PRO A 117 28.859 3.509 23.380 1.00 0.00 H ATOM 1687 HD3 PRO A 117 30.181 -0.053 24.397 1.00 0.00 H ATOM 1688 HD2 PRO A 117 31.493 1.051 24.873 1.00 0.00 H ATOM 1689 HG3 PRO A 117 31.530 2.112 22.726 1.00 0.00 H ATOM 1690 HG2 PRO A 117 31.232 0.411 22.296 1.00 0.00 H ATOM 1691 HB2 PRO A 117 28.858 0.752 22.108 1.00 0.00 H ATOM 1692 HB3 PRO A 117 29.498 2.272 21.441 1.00 0.00 H ATOM 1693 N VAL A 118 26.491 3.198 23.335 1.00 10.63 N ATOM 1694 CA VAL A 118 25.032 3.064 23.370 1.00 10.87 C ATOM 1695 C VAL A 118 24.328 3.489 22.047 1.00 11.49 C ATOM 1696 O VAL A 118 23.098 3.511 21.952 1.00 11.97 O ATOM 1697 CB VAL A 118 24.430 3.846 24.561 1.00 11.07 C ATOM 1698 CG1 VAL A 118 25.007 3.276 25.883 1.00 11.19 C ATOM 1699 CG2 VAL A 118 24.722 5.354 24.437 1.00 11.24 C ATOM 1700 HA VAL A 118 24.843 1.998 23.496 1.00 0.00 H ATOM 1701 HB VAL A 118 23.347 3.726 24.559 1.00 0.00 H ATOM 1702 HG11 VAL A 118 24.747 2.221 25.966 1.00 0.00 H ATOM 1703 HG12 VAL A 118 26.092 3.385 25.881 1.00 0.00 H ATOM 1704 HG13 VAL A 118 24.587 3.823 26.727 1.00 0.00 H ATOM 1705 HG21 VAL A 118 25.800 5.514 24.423 1.00 0.00 H ATOM 1706 HG22 VAL A 118 24.285 5.733 23.513 1.00 0.00 H ATOM 1707 HG23 VAL A 118 24.287 5.878 25.288 1.00 0.00 H ATOM 1708 H VAL A 118 26.911 4.112 23.071 1.00 0.00 H ATOM 1709 N HIS A 119 25.107 3.818 21.025 1.00 11.00 N ATOM 1710 CA HIS A 119 24.517 4.214 19.759 1.00 10.01 C ATOM 1711 C HIS A 119 25.605 4.333 18.711 1.00 9.45 C ATOM 1712 O HIS A 119 26.671 4.854 18.989 1.00 9.07 O ATOM 1713 CB HIS A 119 23.800 5.561 19.921 1.00 11.36 C ATOM 1714 CG HIS A 119 23.352 6.174 18.622 1.00 12.08 C ATOM 1715 ND1 HIS A 119 22.229 5.777 17.926 1.00 13.65 N ATOM 1716 CD2 HIS A 119 23.878 7.202 17.910 1.00 13.07 C ATOM 1717 CE1 HIS A 119 22.106 6.561 16.830 1.00 13.51 C ATOM 1718 NE2 HIS A 119 23.082 7.446 16.771 1.00 13.30 N ATOM 1719 HA HIS A 119 23.794 3.462 19.444 1.00 0.00 H ATOM 1720 HB2 HIS A 119 22.923 5.410 20.550 1.00 0.00 H ATOM 1721 HB3 HIS A 119 24.482 6.256 20.412 1.00 0.00 H ATOM 1722 HD2 HIS A 119 24.778 7.755 18.177 1.00 0.00 H ATOM 1723 HE1 HIS A 119 21.307 6.473 16.094 1.00 0.00 H ATOM 1724 H HIS A 119 26.141 3.792 21.131 1.00 0.00 H ATOM 1725 N PHE A 120 25.357 3.819 17.516 1.00 7.53 N ATOM 1726 CA PHE A 120 26.331 3.941 16.437 1.00 7.44 C ATOM 1727 C PHE A 120 25.968 5.240 15.701 1.00 6.69 C ATOM 1728 O PHE A 120 24.923 5.311 15.068 1.00 6.89 O ATOM 1729 CB PHE A 120 26.248 2.751 15.468 1.00 7.20 C ATOM 1730 CG PHE A 120 27.367 2.740 14.451 1.00 7.32 C ATOM 1731 CD1 PHE A 120 27.252 3.457 13.266 1.00 8.15 C ATOM 1732 CD2 PHE A 120 28.549 2.073 14.717 1.00 8.15 C ATOM 1733 CE1 PHE A 120 28.317 3.518 12.357 1.00 8.58 C ATOM 1734 CE2 PHE A 120 29.627 2.128 13.808 1.00 9.24 C ATOM 1735 CZ PHE A 120 29.500 2.857 12.629 1.00 8.80 C ATOM 1736 HA PHE A 120 27.348 3.954 16.830 1.00 0.00 H ATOM 1737 HB2 PHE A 120 26.294 1.828 16.046 1.00 0.00 H ATOM 1738 HB3 PHE A 120 25.297 2.799 14.938 1.00 0.00 H ATOM 1739 HD2 PHE A 120 28.649 1.499 15.638 1.00 0.00 H ATOM 1740 HE2 PHE A 120 30.556 1.602 14.028 1.00 0.00 H ATOM 1741 HZ PHE A 120 30.330 2.906 11.924 1.00 0.00 H ATOM 1742 HE1 PHE A 120 28.212 4.088 11.434 1.00 0.00 H ATOM 1743 HD1 PHE A 120 26.322 3.978 13.041 1.00 0.00 H ATOM 1744 H PHE A 120 24.459 3.323 17.345 1.00 0.00 H ATOM 1745 N ASP A 121 26.818 6.251 15.782 1.00 6.57 N ATOM 1746 CA ASP A 121 26.475 7.531 15.182 1.00 7.82 C ATOM 1747 C ASP A 121 26.850 7.712 13.727 1.00 8.42 C ATOM 1748 O ASP A 121 26.068 8.261 12.961 1.00 9.08 O ATOM 1749 CB ASP A 121 27.089 8.677 15.993 1.00 8.41 C ATOM 1750 CG ASP A 121 26.257 9.968 15.915 1.00 9.65 C ATOM 1751 OD1 ASP A 121 25.033 9.894 16.021 1.00 11.03 O ATOM 1752 OD2 ASP A 121 26.828 11.067 15.763 1.00 10.53 O ATOM 1753 HA ASP A 121 25.385 7.546 15.206 1.00 0.00 H ATOM 1754 HB2 ASP A 121 27.159 8.369 17.036 1.00 0.00 H ATOM 1755 HB3 ASP A 121 28.088 8.881 15.608 1.00 0.00 H ATOM 1756 H ASP A 121 27.727 6.131 16.272 1.00 0.00 H ATOM 1757 N ALA A 122 28.027 7.236 13.345 1.00 7.81 N ATOM 1758 CA ALA A 122 28.526 7.454 12.010 1.00 8.87 C ATOM 1759 C ALA A 122 29.844 6.742 11.778 1.00 9.57 C ATOM 1760 O ALA A 122 30.479 6.264 12.709 1.00 9.50 O ATOM 1761 CB ALA A 122 28.763 8.945 11.814 1.00 9.25 C ATOM 1762 HA ALA A 122 27.788 7.064 11.309 1.00 0.00 H ATOM 1763 HB1 ALA A 122 27.824 9.482 11.951 1.00 0.00 H ATOM 1764 HB2 ALA A 122 29.493 9.295 12.544 1.00 0.00 H ATOM 1765 HB3 ALA A 122 29.141 9.122 10.807 1.00 0.00 H ATOM 1766 H ALA A 122 28.602 6.695 14.022 1.00 0.00 H ATOM 1767 N SER A 123 30.240 6.667 10.523 1.00 11.13 N ATOM 1768 CA SER A 123 31.545 6.110 10.168 1.00 13.81 C ATOM 1769 C SER A 123 32.122 7.283 9.414 1.00 15.15 C ATOM 1770 O SER A 123 31.390 8.050 8.764 1.00 16.03 O ATOM 1771 CB SER A 123 31.433 4.888 9.265 1.00 13.83 C ATOM 1772 OG SER A 123 30.823 5.214 8.029 1.00 15.22 O ATOM 1773 HA SER A 123 32.128 5.754 11.017 1.00 0.00 H ATOM 1774 HB2 SER A 123 30.834 4.129 9.768 1.00 0.00 H ATOM 1775 HB3 SER A 123 32.431 4.494 9.075 1.00 0.00 H ATOM 1776 HG SER A 123 30.765 4.401 7.466 1.00 0.00 H ATOM 1777 H SER A 123 29.611 7.011 9.769 1.00 0.00 H ATOM 1778 N VAL A 124 33.426 7.456 9.474 1.00 16.79 N ATOM 1779 CA VAL A 124 33.986 8.608 8.806 1.00 18.96 C ATOM 1780 C VAL A 124 35.351 8.317 8.166 1.00 19.93 C ATOM 1781 O VAL A 124 36.095 7.410 8.635 1.00 20.24 O ATOM 1782 CB VAL A 124 34.008 9.805 9.824 1.00 19.20 C ATOM 1783 CG1 VAL A 124 34.667 9.396 11.117 1.00 19.81 C ATOM 1784 CG2 VAL A 124 34.687 10.991 9.230 1.00 21.16 C ATOM 1785 HA VAL A 124 33.357 8.883 7.959 1.00 0.00 H ATOM 1786 OXT VAL A 124 35.646 8.986 7.152 1.00 21.62 O ATOM 1787 HB VAL A 124 32.978 10.083 10.045 1.00 0.00 H ATOM 1788 HG11 VAL A 124 34.113 8.568 11.559 1.00 0.00 H ATOM 1789 HG12 VAL A 124 35.692 9.084 10.918 1.00 0.00 H ATOM 1790 HG13 VAL A 124 34.670 10.241 11.805 1.00 0.00 H ATOM 1791 HG21 VAL A 124 35.713 10.729 8.972 1.00 0.00 H ATOM 1792 HG22 VAL A 124 34.153 11.302 8.332 1.00 0.00 H ATOM 1793 HG23 VAL A 124 34.690 11.807 9.953 1.00 0.00 H ATOM 1794 H VAL A 124 34.033 6.785 9.986 1.00 0.00 H TER 1795 VAL A 124 HETATM 1796 O HOH 1 22.822 2.447 17.275 1.00 9.22 O HETATM 1797 O HOH 2 27.512 -1.450 24.184 1.00 9.07 O HETATM 1798 O HOH 3 26.057 -1.174 1.314 1.00 11.91 O HETATM 1799 O HOH 4 23.363 11.382 17.341 1.00 14.18 O HETATM 1800 O HOH 5 22.364 0.645 19.187 1.00 20.26 O HETATM 1801 O HOH 6 23.102 9.150 14.183 1.00 14.79 O HETATM 1802 O HOH 7 22.926 0.847 28.525 1.00 14.25 O HETATM 1803 O HOH 8 23.307 -8.614 1.623 1.00 11.34 O HETATM 1804 O HOH 9 18.150 -5.718 30.570 1.00 15.90 O HETATM 1805 O HOH 10 39.958 -5.705 17.321 1.00 14.61 O HETATM 1806 O HOH 11 8.468 -9.946 11.232 1.00 20.50 O HETATM 1807 O HOH 12 10.354 -1.184 6.051 1.00 14.76 O HETATM 1808 O HOH 13 14.729 -9.856 11.985 1.00 15.87 O HETATM 1809 O HOH 14 28.691 -13.225 10.836 1.00 14.51 O HETATM 1810 O HOH 15 17.042 -3.409 16.391 1.00 19.77 O HETATM 1811 O HOH 16 18.999 3.175 9.910 1.00 18.93 O HETATM 1812 O HOH 17 21.524 1.274 21.917 1.00 19.38 O HETATM 1813 O HOH 18 7.360 -7.935 -0.077 1.00 19.55 O HETATM 1814 O HOH 19 40.388 2.930 17.389 1.00 14.04 O HETATM 1815 O HOH 20 12.622 0.702 5.313 1.00 29.13 O HETATM 1816 O HOH 21 13.006 -9.720 5.635 1.00 27.20 O HETATM 1817 O HOH 22 10.448 -1.521 -3.000 1.00 31.66 O HETATM 1818 O HOH 23 25.150 2.493 34.180 1.00 25.84 O HETATM 1819 O HOH 24 27.846 -13.240 14.347 1.00 14.48 O HETATM 1820 O HOH 25 18.495 -14.849 15.170 1.00 26.07 O HETATM 1821 O HOH 26 29.788 1.706 2.590 1.00 22.95 O HETATM 1822 O HOH 27 17.157 -9.939 5.948 1.00 25.45 O HETATM 1823 O HOH 28 12.525 -12.390 1.785 1.00 19.66 O HETATM 1824 O HOH 29 39.986 1.040 20.038 1.00 18.96 O HETATM 1825 O HOH 30 27.940 7.489 8.541 1.00 22.00 O HETATM 1826 O HOH 31 15.239 2.133 2.453 1.00 29.10 O HETATM 1827 O HOH 32 25.904 1.683 29.619 1.00 30.49 O HETATM 1828 O HOH 33 36.510 3.234 27.401 1.00 23.75 O HETATM 1829 O HOH 34 41.459 -2.669 12.295 1.00 30.12 O HETATM 1830 O HOH 35 11.255 -7.228 -1.837 1.00 32.96 O HETATM 1831 O HOH 36 39.131 14.185 23.035 1.00 21.22 O HETATM 1832 O HOH 37 5.477 -11.577 1.887 1.00 39.41 O HETATM 1833 O HOH 38 33.223 8.105 27.924 1.00 17.38 O HETATM 1834 O HOH 39 38.623 7.037 7.249 1.00 24.46 O HETATM 1835 O HOH 40 9.179 -2.204 27.810 1.00 34.13 O HETATM 1836 O HOH 41 40.882 -0.983 9.890 1.00 24.18 O HETATM 1837 O HOH 42 21.671 -0.365 -1.765 1.00 20.99 O HETATM 1838 O HOH 43 13.720 -10.554 0.577 1.00 20.39 O HETATM 1839 O HOH 44 43.033 1.598 7.217 1.00 36.61 O HETATM 1840 O HOH 45 36.695 -8.217 23.412 1.00 23.02 O HETATM 1841 O HOH 46 43.555 9.408 15.405 1.00 40.34 O HETATM 1842 O HOH 47 29.409 -6.209 27.100 1.00 22.11 O HETATM 1843 O HOH 48 11.376 -9.584 8.003 1.00 25.70 O HETATM 1844 O HOH 49 25.579 15.944 26.098 1.00 34.72 O HETATM 1845 O HOH 50 21.281 -1.301 -3.881 1.00 29.07 O HETATM 1846 O HOH 51 20.090 -8.321 23.538 1.00 32.60 O HETATM 1847 O HOH 52 9.750 -3.292 30.228 1.00 23.12 O HETATM 1848 O HOH 53 13.511 -4.357 13.156 1.00 29.95 O HETATM 1849 O HOH 54 38.054 -1.683 26.340 1.00 21.42 O HETATM 1850 O HOH 55 20.585 17.763 21.232 1.00 37.59 O HETATM 1851 O HOH 56 23.502 20.961 23.052 1.00 39.74 O HETATM 1852 O HOH 57 28.559 -3.114 25.878 1.00 22.14 O HETATM 1853 O HOH 58 17.203 1.590 24.084 1.00 27.37 O HETATM 1854 O HOH 59 18.399 -17.864 5.788 1.00 27.31 O HETATM 1855 O HOH 60 34.594 3.471 29.476 1.00 39.55 O HETATM 1856 O HOH 61 20.738 -8.020 -1.710 1.00 28.75 O HETATM 1857 O HOH 62 41.273 0.504 17.809 1.00 30.97 O HETATM 1858 O HOH 63 16.523 -0.779 24.389 1.00 41.53 O HETATM 1859 O HOH 64 40.389 10.239 15.188 1.00 45.80 O HETATM 1860 O HOH 65 38.749 9.911 7.913 1.00 34.37 O HETATM 1861 O HOH 66 33.505 1.342 27.590 1.00 43.99 O HETATM 1862 O HOH 67 41.297 -2.848 23.968 1.00 33.98 O HETATM 1863 O HOH 68 30.539 4.214 5.370 1.00 28.55 O HETATM 1864 O HOH 69 21.227 -18.168 16.102 1.00 25.76 O HETATM 1865 O HOH 70 44.543 -1.541 7.237 1.00 46.09 O HETATM 1866 O HOH 71 10.502 -1.764 3.521 1.00 24.58 O HETATM 1867 O HOH 72 15.788 -11.729 -1.404 1.00 45.42 O HETATM 1868 O HOH 73 43.893 0.224 12.009 1.00 29.01 O HETATM 1869 O HOH 74 17.538 -15.375 18.206 1.00 44.17 O HETATM 1870 O HOH 75 30.338 12.085 27.726 1.00 42.29 O HETATM 1871 O HOH 76 14.758 -10.479 7.173 1.00 25.00 O HETATM 1872 O HOH 77 14.991 1.597 11.658 1.00 25.12 O HETATM 1873 O HOH 78 15.540 -14.264 13.364 1.00 31.56 O HETATM 1874 O HOH 79 16.941 3.336 11.785 1.00 34.51 O HETATM 1875 O HOH 80 22.980 -7.073 -3.443 1.00 48.37 O HETATM 1876 O HOH 81 23.342 -11.469 -2.877 1.00 51.83 O HETATM 1877 O HOH 82 6.884 -1.945 7.830 1.00 41.28 O HETATM 1878 O HOH 83 9.968 -5.121 -4.498 1.00 51.06 O HETATM 1879 O HOH 84 13.636 -4.943 24.820 1.00 33.52 O HETATM 1880 O HOH 85 19.448 -17.655 8.876 1.00 44.47 O HETATM 1881 O HOH 86 12.510 -11.259 12.667 1.00 40.41 O HETATM 1882 O HOH 87 43.155 -4.322 10.145 1.00 46.78 O HETATM 1883 O HOH 88 14.014 -0.226 12.934 1.00 35.05 O HETATM 1884 O HOH 89 15.351 -3.047 22.448 1.00 30.44 O HETATM 1885 O HOH 90 15.111 0.757 17.496 1.00 33.87 O HETATM 1886 O HOH 91 37.643 7.531 4.669 1.00 33.24 O HETATM 1887 O HOH 92 16.447 -14.783 5.452 1.00 27.82 O HETATM 1888 O HOH 93 19.913 -13.224 0.450 1.00 29.29 O HETATM 1889 O HOH 94 23.794 4.973 3.361 1.00 35.45 O HETATM 1890 O HOH 95 23.484 6.477 6.132 1.00 34.20 O HETATM 1891 O HOH 96 13.305 -8.269 -1.596 1.00 39.81 O HETATM 1892 O HOH 97 28.794 3.696 8.074 1.00 31.04 O HETATM 1893 O HOH 98 36.625 17.785 19.777 1.00 33.88 O HETATM 1894 O HOH 99 38.536 -9.656 15.324 1.00 50.16 O HETATM 1895 O HOH 100 35.269 -9.619 21.454 1.00 17.40 O HETATM 1896 O HOH 101 41.058 9.764 26.906 1.00 43.06 O HETATM 1897 O HOH 102 25.080 20.138 24.560 1.00 36.79 O HETATM 1898 O HOH 103 26.499 9.903 8.755 1.00 44.99 O HETATM 1899 O HOH 104 19.054 -11.547 17.568 1.00 21.02 O HETATM 1900 O HOH 105 39.026 16.855 22.286 1.00 35.34 O HETATM 1901 O HOH 106 36.011 4.199 2.158 1.00 38.67 O HETATM 1902 O HOH 107 42.101 3.831 24.044 1.00 38.30 O HETATM 1903 O HOH 108 5.592 -3.268 3.161 1.00 34.56 O HETATM 1904 O HOH 109 37.925 18.481 17.809 1.00 39.20 O HETATM 1905 O HOH 110 40.795 -1.446 16.524 1.00 31.83 O HETATM 1906 O HOH 111 6.999 -13.409 1.469 1.00 25.01 O HETATM 1907 O HOH 112 27.543 0.396 31.578 1.00 20.16 O HETATM 1908 O HOH 113 40.671 -8.234 17.349 1.00 42.51 O HETATM 1909 O HOH 114 44.284 0.083 18.518 1.00 42.03 O HETATM 1910 O HOH 115 33.559 5.156 35.400 1.00 47.02 O HETATM 1911 O HOH 116 19.949 7.980 15.032 1.00 14.61 O HETATM 1912 O HOH 117 26.264 -14.650 -1.864 1.00 36.91 O HETATM 1913 O HOH 118 26.786 -8.648 20.034 1.00 13.19 O HETATM 1914 O HOH 119 28.979 -7.789 21.511 1.00 16.23 O HETATM 1915 O HOH 120 40.993 12.760 22.832 1.00 46.49 O HETATM 1916 O HOH 121 31.394 19.699 20.572 1.00 28.50 O HETATM 1917 O HOH 122 30.497 10.535 8.552 1.00 47.93 O HETATM 1918 O HOH 123 47.187 1.572 18.173 1.00 57.32 O HETATM 1919 O HOH 124 8.832 -7.682 -2.166 1.00 38.71 O HETATM 1920 O HOH 125 41.507 -6.518 21.304 1.00 29.05 O HETATM 1921 O HOH 126 32.556 5.170 33.184 1.00 44.95 O HETATM 1922 O HOH 127 26.731 -14.386 0.681 1.00 26.61 O HETATM 1923 O HOH 128 32.559 18.123 22.123 1.00 24.84 O HETATM 1924 O HOH 129 31.576 2.919 0.933 1.00 29.48 O HETATM 1925 O HOH 130 29.075 12.553 14.844 1.00 17.94 O HETATM 1926 O HOH 131 42.336 0.999 4.901 1.00 38.48 O HETATM 1927 O HOH 132 29.568 -13.465 -2.808 1.00 35.21 O HETATM 1928 O HOH 133 12.637 -12.306 4.168 1.00 37.34 O HETATM 1929 O HOH 134 20.167 6.626 7.114 1.00 45.32 O HETATM 1930 O HOH 135 38.163 3.966 3.503 1.00 36.47 O HETATM 1931 O HOH 136 6.985 -1.311 3.064 1.00 38.27 O HETATM 1932 O HOH 137 19.170 5.477 8.834 1.00 42.81 O HETATM 1933 O HOH 138 26.823 0.778 37.355 1.00 51.90 O HETATM 1934 O HOH 139 13.374 -12.743 7.700 1.00 50.89 O HETATM 1935 O HOH 140 31.829 15.301 22.184 1.00 41.90 O HETATM 1936 N1 U A 3 23.493 4.323 11.348 1.00 -0.16 N HETATM 1937 C2 U A 3 24.336 3.266 11.082 1.00 0.33 C HETATM 1938 N3 U A 3 25.478 3.613 10.406 1.00 -0.19 N HETATM 1939 C4 U A 3 25.846 4.879 10.000 1.00 0.18 C HETATM 1940 C5 U A 3 24.927 5.908 10.350 1.00 0.01 C HETATM 1941 C6 U A 3 23.805 5.602 10.990 1.00 0.06 C HETATM 1942 H3 U A 3 23.108 6.401 11.238 1.00 0.12 H HETATM 1943 H2 U A 3 25.144 6.944 10.093 1.00 0.03 H HETATM 1944 O4 U A 3 26.866 5.023 9.340 1.00 -0.41 O HETATM 1945 H1 U A 3 26.110 2.870 10.184 1.00 0.23 H HETATM 1946 O2 U A 3 24.112 2.114 11.426 1.00 -0.38 O HETATM 1947 C1' U A 3 22.218 4.013 12.013 1.00 0.21 C HETATM 1948 O4' U A 3 21.176 4.593 11.287 1.00 -0.34 O HETATM 1949 C4' U A 3 20.060 4.780 12.177 1.00 0.12 C HETATM 1950 C5' U A 3 19.433 6.126 11.904 1.00 0.07 C HETATM 1951 O5' U A 3 20.397 7.169 12.177 1.00 -0.39 O HETATM 1952 H4 U A 3 20.664 7.122 13.087 1.00 0.21 H HETATM 1953 H5 U A 3 19.123 6.179 10.850 1.00 0.06 H HETATM 1954 H6 U A 3 18.554 6.260 12.552 1.00 0.06 H HETATM 1955 C3' U A 3 20.570 4.661 13.606 1.00 0.15 C HETATM 1956 O3' U A 3 20.029 3.462 14.179 1.00 -0.27 O HETATM 1957 P U A 3 18.786 3.504 15.195 1.00 0.20 P HETATM 1958 O1P U A 3 18.985 2.313 16.076 1.00 -0.55 O HETATM 1959 O2P U A 3 17.521 3.640 14.419 1.00 -0.55 O HETATM 1960 O3P U A 3 19.018 4.810 16.072 1.00 -0.55 O HETATM 1961 C2' U A 3 22.074 4.418 13.478 1.00 0.14 C HETATM 1962 O2' U A 3 22.627 3.457 14.329 1.00 -0.38 O HETATM 1963 H10 U A 3 22.214 2.617 14.167 1.00 0.21 H HETATM 1964 H9 U A 3 22.606 5.363 13.662 1.00 0.07 H HETATM 1965 H8 U A 3 20.333 5.551 14.207 1.00 0.07 H HETATM 1966 H7 U A 3 19.309 3.996 11.998 1.00 0.07 H HETATM 1967 H11 U A 3 22.101 2.920 11.975 1.00 0.10 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 243 244 253 254 255 CONECT 253 243 CONECT 254 243 CONECT 255 243 CONECT 307 306 311 1190 CONECT 381 382 404 405 406 CONECT 404 381 CONECT 405 381 CONECT 406 381 CONECT 511 510 515 1354 CONECT 785 784 789 1596 CONECT 898 897 902 997 CONECT 997 898 996 1001 CONECT 1190 307 1189 1194 CONECT 1354 511 1353 1358 CONECT 1596 785 1595 1600 CONECT 1936 1937 1941 1947 CONECT 1937 1936 1938 1946 CONECT 1938 1937 1939 1945 CONECT 1939 1938 1940 1944 CONECT 1940 1939 1941 1943 CONECT 1941 1936 1940 1942 CONECT 1942 1941 CONECT 1943 1940 CONECT 1944 1939 CONECT 1945 1938 CONECT 1946 1937 CONECT 1947 1936 1948 1961 1967 CONECT 1948 1947 1949 CONECT 1949 1948 1950 1955 1966 CONECT 1950 1949 1951 1953 1954 CONECT 1951 1950 1952 CONECT 1952 1951 CONECT 1953 1950 CONECT 1954 1950 CONECT 1955 1949 1956 1961 1965 CONECT 1956 1955 1957 CONECT 1957 1956 1958 1959 1960 CONECT 1958 1957 CONECT 1959 1957 CONECT 1960 1957 CONECT 1961 1947 1955 1962 1964 CONECT 1962 1961 1963 CONECT 1963 1962 CONECT 1964 1961 CONECT 1965 1955 CONECT 1966 1949 CONECT 1967 1947 MASTER 0 0 0 0 0 0 0 0 1964 3 52 11 END
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Related entries of code: 1n3z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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%
3djv
RCSB PDB
PDBbind
124aa, >3DJV_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
1o0n
RCSB PDB
PDBbind
U3P
4rsk
RCSB PDB
PDBbind
U3P
4wyz
RCSB PDB
PDBbind
U3P
Entry Information
PDB ID
1n3z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bovine seminal ribonuclease
Ligand Name
U3P
EC.Number
E.C.3.1.27.5
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=63.2uM
Release Year
2003
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
4
N
2
O
9
P
Molecular Weight
325.189
Exact Mass
325.044
No. of atoms
35
No. of bonds
36
Polar Surface Area
188.06
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
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(=O)[nH]c1=O
InChI String
InChI=1S/C9H15N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14,16-18,21H,3H2,(H,10,13,15)/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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