Browse entries in the PDBbind-CN Database
HEADER 4E3B_COMPLEX COMPND 4E3B_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 ALA VAL VAL GLN ARG VAL GLU ILE HIS LYS LEU ARG GLN SEQRES 2 A 102 GLY GLU ASN LEU ILE LEU GLY PHE SER ILE GLY GLY GLY SEQRES 3 A 102 ILE ASP GLN ASP PRO SER GLN ASN PRO PHE SER GLU ASP SEQRES 4 A 102 LYS THR ASP LYS GLY ILE TYR VAL THR ARG VAL SER GLU SEQRES 5 A 102 GLY GLY PRO ALA GLU ILE ALA GLY LEU GLN ILE GLY ASP SEQRES 6 A 102 LYS ILE MET GLN VAL ASN GLY TRP ASP MET THR MET VAL SEQRES 7 A 102 THR HIS ASP GLN ALA ARG LYS ARG LEU THR LYS ARG SER SEQRES 8 A 102 GLU GLU VAL VAL ARG LEU LEU VAL THR ARG GLN HET SER A 230 139 ATOM 1 N ALA A 12 19.453 11.625 35.175 1.00 28.04 N ATOM 2 CA ALA A 12 18.536 12.217 34.203 1.00 23.17 C ATOM 3 C ALA A 12 19.223 12.542 32.879 1.00 21.83 C ATOM 4 O ALA A 12 20.424 12.833 32.847 1.00 25.73 O ATOM 5 CB ALA A 12 17.873 13.460 34.786 1.00 18.66 C ATOM 6 HA ALA A 12 17.769 11.473 33.988 1.00 0.00 H ATOM 7 HB1 ALA A 12 17.314 13.186 35.681 1.00 0.00 H ATOM 8 HB2 ALA A 12 18.639 14.192 35.044 1.00 0.00 H ATOM 9 HB3 ALA A 12 17.194 13.888 34.049 1.00 0.00 H ATOM 10 HN3 ALA A 12 20.228 12.291 35.369 1.00 0.00 H ATOM 11 HN2 ALA A 12 19.842 10.741 34.789 1.00 0.00 H ATOM 12 HN1 ALA A 12 18.939 11.423 36.056 1.00 0.00 H ATOM 13 N VAL A 13 18.452 12.481 31.793 1.00 17.62 N ATOM 14 CA VAL A 13 18.954 12.746 30.449 1.00 14.31 C ATOM 15 C VAL A 13 18.281 13.990 29.880 1.00 13.36 C ATOM 16 O VAL A 13 17.067 14.170 30.021 1.00 15.27 O ATOM 17 CB VAL A 13 18.690 11.552 29.503 1.00 16.55 C ATOM 18 CG1 VAL A 13 19.113 11.877 28.071 1.00 19.90 C ATOM 19 CG2 VAL A 13 19.388 10.301 30.013 1.00 20.60 C ATOM 20 HA VAL A 13 20.030 12.901 30.521 1.00 0.00 H ATOM 21 HB VAL A 13 17.617 11.360 29.491 1.00 0.00 H ATOM 22 HG11 VAL A 13 18.547 12.737 27.713 1.00 0.00 H ATOM 23 HG12 VAL A 13 20.178 12.108 28.052 1.00 0.00 H ATOM 24 HG13 VAL A 13 18.914 11.017 27.431 1.00 0.00 H ATOM 25 HG21 VAL A 13 20.462 10.481 30.064 1.00 0.00 H ATOM 26 HG22 VAL A 13 19.011 10.056 31.006 1.00 0.00 H ATOM 27 HG23 VAL A 13 19.189 9.473 29.333 1.00 0.00 H ATOM 28 H VAL A 13 17.449 12.234 31.909 1.00 0.00 H ATOM 29 N VAL A 14 19.074 14.850 29.251 1.00 11.98 N ATOM 30 CA VAL A 14 18.585 16.087 28.662 1.00 12.09 C ATOM 31 C VAL A 14 17.907 15.821 27.314 1.00 11.73 C ATOM 32 O VAL A 14 18.453 15.121 26.455 1.00 15.55 O ATOM 33 CB VAL A 14 19.740 17.126 28.506 1.00 11.78 C ATOM 34 CG1 VAL A 14 19.251 18.385 27.794 1.00 10.29 C ATOM 35 CG2 VAL A 14 20.368 17.471 29.860 1.00 11.22 C ATOM 36 HA VAL A 14 17.841 16.508 29.338 1.00 0.00 H ATOM 37 HB VAL A 14 20.514 16.668 27.890 1.00 0.00 H ATOM 38 HG11 VAL A 14 18.882 18.120 26.803 1.00 0.00 H ATOM 39 HG12 VAL A 14 18.447 18.839 28.373 1.00 0.00 H ATOM 40 HG13 VAL A 14 20.076 19.091 27.699 1.00 0.00 H ATOM 41 HG21 VAL A 14 19.607 17.895 30.515 1.00 0.00 H ATOM 42 HG22 VAL A 14 20.775 16.566 30.312 1.00 0.00 H ATOM 43 HG23 VAL A 14 21.168 18.197 29.714 1.00 0.00 H ATOM 44 H VAL A 14 20.088 14.630 29.176 1.00 0.00 H ATOM 45 N GLN A 15 16.705 16.355 27.142 1.00 11.70 N ATOM 46 CA GLN A 15 16.025 16.280 25.856 1.00 11.44 C ATOM 47 C GLN A 15 15.616 17.680 25.413 1.00 7.54 C ATOM 48 O GLN A 15 15.333 18.550 26.234 1.00 11.62 O ATOM 49 CB GLN A 15 14.773 15.389 25.934 1.00 14.67 C ATOM 50 CG GLN A 15 15.029 13.955 26.375 1.00 18.75 C ATOM 51 CD GLN A 15 15.795 13.144 25.339 1.00 30.38 C ATOM 52 OE1 GLN A 15 15.981 13.582 24.201 1.00 31.02 O ATOM 53 NE2 GLN A 15 16.247 11.956 25.732 1.00 34.07 N ATOM 54 HA GLN A 15 16.715 15.842 25.135 1.00 0.00 H ATOM 55 HB2 GLN A 15 14.079 15.842 26.642 1.00 0.00 H ATOM 56 HB3 GLN A 15 14.315 15.362 24.945 1.00 0.00 H ATOM 57 HG2 GLN A 15 15.606 13.973 27.299 1.00 0.00 H ATOM 58 HG3 GLN A 15 14.070 13.470 26.557 1.00 0.00 H ATOM 59 HE22 GLN A 15 16.067 11.626 26.702 1.00 0.00 H ATOM 60 HE21 GLN A 15 16.780 11.357 25.070 1.00 0.00 H ATOM 61 H GLN A 15 16.240 16.835 27.939 1.00 0.00 H ATOM 62 N ARG A 16 15.565 17.893 24.108 1.00 11.92 N ATOM 63 CA ARG A 16 15.140 19.169 23.565 1.00 11.63 C ATOM 64 C ARG A 16 13.986 18.897 22.619 1.00 12.93 C ATOM 65 O ARG A 16 14.125 18.143 21.655 1.00 18.42 O ATOM 66 CB ARG A 16 16.306 19.857 22.846 1.00 10.76 C ATOM 67 CG ARG A 16 17.415 20.302 23.811 1.00 14.54 C ATOM 68 CD ARG A 16 18.618 20.902 23.097 1.00 17.31 C ATOM 69 NE ARG A 16 19.647 21.309 24.052 1.00 13.44 N ATOM 70 CZ ARG A 16 19.690 22.505 24.630 1.00 13.52 C ATOM 71 NH1 ARG A 16 18.755 23.413 24.353 1.00 18.10 N ATOM 72 NH2 ARG A 16 20.660 22.795 25.495 1.00 16.48 N ATOM 73 HA ARG A 16 14.817 19.843 24.358 1.00 0.00 H ATOM 74 HB2 ARG A 16 16.731 19.160 22.123 1.00 0.00 H ATOM 75 HB3 ARG A 16 15.925 20.734 22.323 1.00 0.00 H ATOM 76 HG2 ARG A 16 17.005 21.049 24.491 1.00 0.00 H ATOM 77 HG3 ARG A 16 17.747 19.435 24.383 1.00 0.00 H ATOM 78 HD2 ARG A 16 18.296 21.774 22.527 1.00 0.00 H ATOM 79 HD3 ARG A 16 19.036 20.159 22.418 1.00 0.00 H ATOM 80 HE ARG A 16 20.389 20.622 24.294 1.00 0.00 H ATOM 81 HH12 ARG A 16 18.789 24.349 24.805 1.00 0.00 H ATOM 82 HH11 ARG A 16 17.991 23.186 23.684 1.00 0.00 H ATOM 83 HH22 ARG A 16 20.692 23.732 25.946 1.00 0.00 H ATOM 84 HH21 ARG A 16 21.386 22.085 25.720 1.00 0.00 H ATOM 85 H ARG A 16 15.836 17.128 23.457 1.00 0.00 H ATOM 86 N VAL A 17 12.832 19.476 22.923 1.00 10.29 N ATOM 87 CA VAL A 17 11.662 19.222 22.095 1.00 13.09 C ATOM 88 C VAL A 17 11.144 20.526 21.503 1.00 12.00 C ATOM 89 O VAL A 17 11.307 21.602 22.075 1.00 15.68 O ATOM 90 CB VAL A 17 10.558 18.491 22.858 1.00 20.30 C ATOM 91 CG1 VAL A 17 11.076 17.163 23.402 1.00 26.61 C ATOM 92 CG2 VAL A 17 10.044 19.349 23.976 1.00 14.62 C ATOM 93 HA VAL A 17 11.971 18.563 21.284 1.00 0.00 H ATOM 94 HB VAL A 17 9.737 18.286 22.171 1.00 0.00 H ATOM 95 HG11 VAL A 17 11.409 16.538 22.574 1.00 0.00 H ATOM 96 HG12 VAL A 17 11.911 17.349 24.077 1.00 0.00 H ATOM 97 HG13 VAL A 17 10.276 16.656 23.942 1.00 0.00 H ATOM 98 HG21 VAL A 17 10.860 19.578 24.661 1.00 0.00 H ATOM 99 HG22 VAL A 17 9.641 20.275 23.566 1.00 0.00 H ATOM 100 HG23 VAL A 17 9.258 18.815 24.510 1.00 0.00 H ATOM 101 H VAL A 17 12.764 20.107 23.747 1.00 0.00 H ATOM 102 N GLU A 18 10.551 20.427 20.327 1.00 9.65 N ATOM 103 CA GLU A 18 10.092 21.608 19.621 1.00 10.73 C ATOM 104 C GLU A 18 8.612 21.413 19.360 1.00 8.66 C ATOM 105 O GLU A 18 8.227 20.579 18.539 1.00 12.30 O ATOM 106 CB GLU A 18 10.872 21.744 18.309 1.00 12.37 C ATOM 107 CG GLU A 18 10.434 22.882 17.391 1.00 12.64 C ATOM 108 CD GLU A 18 11.175 22.861 16.077 1.00 11.65 C ATOM 109 OE1 GLU A 18 12.353 22.432 16.076 1.00 18.20 O ATOM 110 OE2 GLU A 18 10.601 23.246 15.034 1.00 14.66 O ATOM 111 HA GLU A 18 10.253 22.518 20.198 1.00 0.00 H ATOM 112 HB2 GLU A 18 11.922 21.900 18.558 1.00 0.00 H ATOM 113 HB3 GLU A 18 10.766 20.810 17.758 1.00 0.00 H ATOM 114 HG2 GLU A 18 9.366 22.786 17.195 1.00 0.00 H ATOM 115 HG3 GLU A 18 10.627 23.832 17.890 1.00 0.00 H ATOM 116 H GLU A 18 10.411 19.489 19.901 1.00 0.00 H ATOM 117 N ILE A 19 7.794 22.150 20.110 1.00 7.64 N ATOM 118 CA ILE A 19 6.347 22.014 20.026 1.00 8.30 C ATOM 119 C ILE A 19 5.753 23.039 19.074 1.00 12.84 C ATOM 120 O ILE A 19 6.007 24.236 19.189 1.00 10.80 O ATOM 121 CB ILE A 19 5.711 22.184 21.415 1.00 8.55 C ATOM 122 CG1 ILE A 19 6.149 21.056 22.356 1.00 12.20 C ATOM 123 CG2 ILE A 19 4.192 22.231 21.299 1.00 12.88 C ATOM 124 CD1 ILE A 19 5.565 21.165 23.773 1.00 13.02 C ATOM 125 HA ILE A 19 6.132 21.016 19.645 1.00 0.00 H ATOM 126 HB ILE A 19 6.055 23.128 21.838 1.00 0.00 H ATOM 127 HG12 ILE A 19 5.831 20.107 21.925 1.00 0.00 H ATOM 128 HG13 ILE A 19 7.236 21.074 22.430 1.00 0.00 H ATOM 129 HD11 ILE A 19 5.883 22.105 24.225 1.00 0.00 H ATOM 130 HD12 ILE A 19 4.477 21.137 23.719 1.00 0.00 H ATOM 131 HD13 ILE A 19 5.922 20.331 24.377 1.00 0.00 H ATOM 132 HG21 ILE A 19 3.903 23.072 20.669 1.00 0.00 H ATOM 133 HG22 ILE A 19 3.834 21.303 20.854 1.00 0.00 H ATOM 134 HG23 ILE A 19 3.757 22.352 22.291 1.00 0.00 H ATOM 135 H ILE A 19 8.200 22.841 20.773 1.00 0.00 H ATOM 136 N HIS A 20 4.955 22.554 18.128 1.00 10.12 N ATOM 137 CA HIS A 20 4.210 23.423 17.239 1.00 10.42 C ATOM 138 C HIS A 20 2.763 23.444 17.711 1.00 10.03 C ATOM 139 O HIS A 20 2.037 22.462 17.582 1.00 14.34 O ATOM 140 CB HIS A 20 4.369 22.968 15.785 1.00 13.02 C ATOM 141 CG HIS A 20 5.761 23.159 15.263 1.00 12.56 C ATOM 142 ND1 HIS A 20 6.037 23.925 14.147 1.00 18.71 N ATOM 143 CD2 HIS A 20 6.952 22.702 15.705 1.00 15.11 C ATOM 144 CE1 HIS A 20 7.335 23.923 13.925 1.00 24.89 C ATOM 145 NE2 HIS A 20 7.919 23.185 14.855 1.00 14.00 N ATOM 146 HA HIS A 20 4.594 24.443 17.269 1.00 0.00 H ATOM 147 HB2 HIS A 20 4.116 21.910 15.722 1.00 0.00 H ATOM 148 HB3 HIS A 20 3.682 23.543 15.163 1.00 0.00 H ATOM 149 HD2 HIS A 20 7.117 22.067 16.575 1.00 0.00 H ATOM 150 HE1 HIS A 20 7.843 24.442 13.112 1.00 0.00 H ATOM 151 H HIS A 20 4.863 21.523 18.023 1.00 0.00 H ATOM 152 N LYS A 21 2.377 24.570 18.302 1.00 9.72 N ATOM 153 CA LYS A 21 1.053 24.697 18.919 1.00 11.24 C ATOM 154 C LYS A 21 -0.077 24.513 17.909 1.00 14.12 C ATOM 155 O LYS A 21 0.077 24.830 16.726 1.00 14.07 O ATOM 156 CB LYS A 21 0.929 26.039 19.645 1.00 11.27 C ATOM 157 CG LYS A 21 1.925 26.240 20.782 1.00 10.14 C ATOM 158 CD LYS A 21 1.684 27.559 21.510 1.00 10.44 C ATOM 159 CE LYS A 21 2.859 27.951 22.421 1.00 11.90 C ATOM 160 NZ LYS A 21 2.646 29.340 22.954 1.00 13.06 N ATOM 161 HA LYS A 21 0.955 23.893 19.649 1.00 0.00 H ATOM 162 HB2 LYS A 21 1.079 26.835 18.916 1.00 0.00 H ATOM 163 HB3 LYS A 21 -0.077 26.111 20.057 1.00 0.00 H ATOM 164 HG2 LYS A 21 1.823 25.419 21.492 1.00 0.00 H ATOM 165 HG3 LYS A 21 2.935 26.241 20.372 1.00 0.00 H ATOM 166 HD2 LYS A 21 1.537 28.346 20.770 1.00 0.00 H ATOM 167 HD3 LYS A 21 0.785 27.463 22.119 1.00 0.00 H ATOM 168 HE2 LYS A 21 3.787 27.920 21.850 1.00 0.00 H ATOM 169 HE3 LYS A 21 2.923 27.249 23.253 1.00 0.00 H ATOM 170 HZ1 LYS A 21 2.587 30.009 22.160 1.00 0.00 H ATOM 171 HZ2 LYS A 21 1.761 29.369 23.500 1.00 0.00 H ATOM 172 HZ3 LYS A 21 3.443 29.600 23.569 1.00 0.00 H ATOM 173 H LYS A 21 3.029 25.380 18.327 1.00 0.00 H ATOM 174 N LEU A 22 -1.203 23.987 18.398 1.00 13.94 N ATOM 175 CA LEU A 22 -2.408 23.786 17.598 1.00 15.57 C ATOM 176 C LEU A 22 -3.441 24.871 17.868 1.00 13.13 C ATOM 177 O LEU A 22 -3.730 25.204 19.013 1.00 16.54 O ATOM 178 CB LEU A 22 -3.028 22.427 17.925 1.00 14.30 C ATOM 179 CG LEU A 22 -4.387 22.086 17.307 1.00 17.34 C ATOM 180 CD1 LEU A 22 -4.179 21.787 15.843 1.00 23.07 C ATOM 181 CD2 LEU A 22 -4.967 20.892 18.034 1.00 29.87 C ATOM 182 HA LEU A 22 -2.119 23.829 16.548 1.00 0.00 H ATOM 183 HB2 LEU A 22 -2.323 21.662 17.599 1.00 0.00 H ATOM 184 HB3 LEU A 22 -3.143 22.375 19.008 1.00 0.00 H ATOM 185 HG LEU A 22 -5.085 22.918 17.401 1.00 0.00 H ATOM 186 HD21 LEU A 22 -4.291 20.043 17.933 1.00 0.00 H ATOM 187 HD22 LEU A 22 -5.091 21.136 19.089 1.00 0.00 H ATOM 188 HD23 LEU A 22 -5.935 20.640 17.602 1.00 0.00 H ATOM 189 HD11 LEU A 22 -3.753 22.662 15.352 1.00 0.00 H ATOM 190 HD12 LEU A 22 -3.498 20.943 15.739 1.00 0.00 H ATOM 191 HD13 LEU A 22 -5.137 21.541 15.384 1.00 0.00 H ATOM 192 H LEU A 22 -1.223 23.706 19.399 1.00 0.00 H ATOM 193 N ARG A 23 -4.031 25.393 16.798 1.00 21.74 N ATOM 194 CA ARG A 23 -5.122 26.359 16.906 1.00 45.48 C ATOM 195 C ARG A 23 -6.409 25.667 17.353 1.00 21.61 C ATOM 196 O ARG A 23 -6.878 24.732 16.707 1.00 36.37 O ATOM 197 CB ARG A 23 -5.355 27.055 15.561 1.00 27.29 C ATOM 198 CG ARG A 23 -6.488 28.079 15.573 1.00 53.88 C ATOM 199 CD ARG A 23 -6.098 29.346 16.324 1.00 63.83 C ATOM 200 NE ARG A 23 -5.008 30.068 15.668 1.00 74.54 N ATOM 201 CZ ARG A 23 -4.455 31.186 16.133 1.00 56.91 C ATOM 202 NH1 ARG A 23 -4.888 31.722 17.263 1.00 76.64 N ATOM 203 NH2 ARG A 23 -3.467 31.769 15.467 1.00 70.61 N ATOM 204 HA ARG A 23 -4.842 27.104 17.651 1.00 0.00 H ATOM 205 HB2 ARG A 23 -4.435 27.566 15.277 1.00 0.00 H ATOM 206 HB3 ARG A 23 -5.591 26.293 14.818 1.00 0.00 H ATOM 207 HG2 ARG A 23 -6.738 28.341 14.545 1.00 0.00 H ATOM 208 HG3 ARG A 23 -7.359 27.636 16.056 1.00 0.00 H ATOM 209 HD2 ARG A 23 -5.782 29.074 17.331 1.00 0.00 H ATOM 210 HD3 ARG A 23 -6.967 30.001 16.382 1.00 0.00 H ATOM 211 HE ARG A 23 -4.639 29.681 14.776 1.00 0.00 H ATOM 212 HH12 ARG A 23 -4.454 32.596 17.624 1.00 0.00 H ATOM 213 HH11 ARG A 23 -5.662 31.270 17.790 1.00 0.00 H ATOM 214 HH22 ARG A 23 -3.037 32.642 15.833 1.00 0.00 H ATOM 215 HH21 ARG A 23 -3.122 31.353 14.579 1.00 0.00 H ATOM 216 H ARG A 23 -3.706 25.105 15.853 1.00 0.00 H ATOM 217 N GLN A 24 -6.970 26.123 18.468 1.00 29.64 N ATOM 218 CA GLN A 24 -8.214 25.566 18.986 1.00 47.91 C ATOM 219 C GLN A 24 -9.107 26.719 19.401 1.00 26.77 C ATOM 220 O GLN A 24 -9.019 27.210 20.526 1.00 47.72 O ATOM 221 CB GLN A 24 -7.941 24.648 20.181 1.00 31.77 C ATOM 222 CG GLN A 24 -8.945 23.519 20.337 1.00 55.66 C ATOM 223 CD GLN A 24 -8.789 22.451 19.272 1.00 66.09 C ATOM 224 OE1 GLN A 24 -8.493 22.748 18.112 1.00 42.39 O ATOM 225 NE2 GLN A 24 -8.980 21.196 19.663 1.00 45.41 N ATOM 226 HA GLN A 24 -8.701 24.968 18.216 1.00 0.00 H ATOM 227 HB2 GLN A 24 -6.950 24.211 20.058 1.00 0.00 H ATOM 228 HB3 GLN A 24 -7.960 25.252 21.088 1.00 0.00 H ATOM 229 HG2 GLN A 24 -8.806 23.060 21.316 1.00 0.00 H ATOM 230 HG3 GLN A 24 -9.951 23.934 20.272 1.00 0.00 H ATOM 231 HE22 GLN A 24 -9.229 20.992 20.652 1.00 0.00 H ATOM 232 HE21 GLN A 24 -8.881 20.418 18.980 1.00 0.00 H ATOM 233 H GLN A 24 -6.509 26.899 18.985 1.00 0.00 H ATOM 234 N GLY A 25 -9.967 27.150 18.482 1.00 27.31 N ATOM 235 CA GLY A 25 -10.701 28.385 18.665 1.00 45.04 C ATOM 236 C GLY A 25 -9.755 29.568 18.579 1.00 30.72 C ATOM 237 O GLY A 25 -8.949 29.666 17.649 1.00 35.79 O ATOM 238 HA3 GLY A 25 -11.182 28.378 19.643 1.00 0.00 H ATOM 239 HA2 GLY A 25 -11.461 28.472 17.888 1.00 0.00 H ATOM 240 H GLY A 25 -10.115 26.591 17.618 1.00 0.00 H ATOM 241 N GLU A 26 -9.844 30.457 19.562 1.00 30.71 N ATOM 242 CA GLU A 26 -8.993 31.641 19.633 1.00 37.42 C ATOM 243 C GLU A 26 -7.613 31.317 20.220 1.00 63.49 C ATOM 244 O GLU A 26 -6.691 32.131 20.148 1.00 35.03 O ATOM 245 CB GLU A 26 -9.693 32.720 20.470 1.00 65.28 C ATOM 246 CG GLU A 26 -8.948 34.045 20.598 1.00 60.35 C ATOM 247 CD GLU A 26 -9.724 35.064 21.423 1.00 67.06 C ATOM 248 OE1 GLU A 26 -9.115 36.050 21.897 1.00 37.67 O ATOM 249 OE2 GLU A 26 -10.947 34.878 21.597 1.00 80.40 O ATOM 250 HA GLU A 26 -8.832 32.009 18.620 1.00 0.00 H ATOM 251 HB2 GLU A 26 -10.662 32.923 20.013 1.00 0.00 H ATOM 252 HB3 GLU A 26 -9.843 32.321 21.473 1.00 0.00 H ATOM 253 HG2 GLU A 26 -7.987 33.863 21.079 1.00 0.00 H ATOM 254 HG3 GLU A 26 -8.783 34.453 19.601 1.00 0.00 H ATOM 255 H GLU A 26 -10.549 30.303 20.311 1.00 0.00 H ATOM 256 N ASN A 27 -7.471 30.122 20.787 1.00 28.56 N ATOM 257 CA ASN A 27 -6.255 29.760 21.516 1.00 27.50 C ATOM 258 C ASN A 27 -5.275 28.869 20.759 1.00 27.48 C ATOM 259 O ASN A 27 -5.667 28.101 19.883 1.00 24.88 O ATOM 260 CB ASN A 27 -6.615 29.074 22.838 1.00 45.56 C ATOM 261 CG ASN A 27 -7.466 29.944 23.736 1.00 66.38 C ATOM 262 OD1 ASN A 27 -7.395 31.172 23.683 1.00 48.34 O ATOM 263 ND2 ASN A 27 -8.278 29.308 24.573 1.00 56.62 N ATOM 264 HA ASN A 27 -5.743 30.709 21.675 1.00 0.00 H ATOM 265 HB2 ASN A 27 -7.164 28.158 22.618 1.00 0.00 H ATOM 266 HB3 ASN A 27 -5.693 28.826 23.364 1.00 0.00 H ATOM 267 HD22 ASN A 27 -8.304 28.268 24.583 1.00 0.00 H ATOM 268 HD21 ASN A 27 -8.887 29.850 25.219 1.00 0.00 H ATOM 269 H ASN A 27 -8.242 29.429 20.710 1.00 0.00 H ATOM 270 N LEU A 28 -3.996 28.968 21.128 1.00 21.26 N ATOM 271 CA LEU A 28 -2.965 28.065 20.644 1.00 14.45 C ATOM 272 C LEU A 28 -2.617 27.102 21.769 1.00 11.82 C ATOM 273 O LEU A 28 -2.104 27.510 22.814 1.00 19.84 O ATOM 274 CB LEU A 28 -1.704 28.836 20.247 1.00 21.76 C ATOM 275 CG LEU A 28 -1.744 29.641 18.946 1.00 27.49 C ATOM 276 CD1 LEU A 28 -0.489 30.490 18.831 1.00 28.04 C ATOM 277 CD2 LEU A 28 -1.884 28.721 17.746 1.00 26.35 C ATOM 278 HA LEU A 28 -3.335 27.534 19.767 1.00 0.00 H ATOM 279 HB2 LEU A 28 -1.480 29.533 21.055 1.00 0.00 H ATOM 280 HB3 LEU A 28 -0.894 28.112 20.158 1.00 0.00 H ATOM 281 HG LEU A 28 -2.614 30.297 18.964 1.00 0.00 H ATOM 282 HD21 LEU A 28 -1.034 28.039 17.712 1.00 0.00 H ATOM 283 HD22 LEU A 28 -2.808 28.149 17.834 1.00 0.00 H ATOM 284 HD23 LEU A 28 -1.910 29.317 16.834 1.00 0.00 H ATOM 285 HD11 LEU A 28 -0.435 31.174 19.678 1.00 0.00 H ATOM 286 HD12 LEU A 28 0.388 29.842 18.829 1.00 0.00 H ATOM 287 HD13 LEU A 28 -0.522 31.061 17.903 1.00 0.00 H ATOM 288 H LEU A 28 -3.726 29.723 21.790 1.00 0.00 H ATOM 289 N ILE A 29 -2.899 25.825 21.571 1.00 11.18 N ATOM 290 CA ILE A 29 -2.717 24.902 22.677 1.00 15.22 C ATOM 291 C ILE A 29 -1.532 23.951 22.464 1.00 13.62 C ATOM 292 O ILE A 29 -1.101 23.692 21.329 1.00 10.62 O ATOM 293 CB ILE A 29 -4.022 24.151 23.043 1.00 26.70 C ATOM 294 CG1 ILE A 29 -4.440 23.209 21.924 1.00 17.73 C ATOM 295 CG2 ILE A 29 -5.161 25.133 23.348 1.00 23.54 C ATOM 296 CD1 ILE A 29 -4.020 21.790 22.149 1.00 21.36 C ATOM 297 HA ILE A 29 -2.463 25.513 23.543 1.00 0.00 H ATOM 298 HB ILE A 29 -3.819 23.565 23.939 1.00 0.00 H ATOM 299 HG12 ILE A 29 -5.526 23.238 21.836 1.00 0.00 H ATOM 300 HG13 ILE A 29 -3.992 23.558 20.994 1.00 0.00 H ATOM 301 HD11 ILE A 29 -2.934 21.742 22.228 1.00 0.00 H ATOM 302 HD12 ILE A 29 -4.469 21.421 23.071 1.00 0.00 H ATOM 303 HD13 ILE A 29 -4.352 21.177 21.311 1.00 0.00 H ATOM 304 HG21 ILE A 29 -4.877 25.767 24.188 1.00 0.00 H ATOM 305 HG22 ILE A 29 -5.350 25.752 22.471 1.00 0.00 H ATOM 306 HG23 ILE A 29 -6.062 24.575 23.601 1.00 0.00 H ATOM 307 H ILE A 29 -3.242 25.491 20.648 1.00 0.00 H ATOM 308 N LEU A 30 -1.009 23.452 23.576 1.00 12.11 N ATOM 309 CA LEU A 30 0.203 22.650 23.588 1.00 9.85 C ATOM 310 C LEU A 30 -0.065 21.157 23.777 1.00 12.96 C ATOM 311 O LEU A 30 0.724 20.317 23.351 1.00 11.04 O ATOM 312 CB LEU A 30 1.162 23.154 24.673 1.00 11.03 C ATOM 313 CG LEU A 30 1.751 24.549 24.439 1.00 11.30 C ATOM 314 CD1 LEU A 30 0.747 25.664 24.682 1.00 15.74 C ATOM 315 CD2 LEU A 30 2.956 24.739 25.342 1.00 13.36 C ATOM 316 HA LEU A 30 0.661 22.765 22.606 1.00 0.00 H ATOM 317 HB2 LEU A 30 0.620 23.173 25.618 1.00 0.00 H ATOM 318 HB3 LEU A 30 1.989 22.448 24.744 1.00 0.00 H ATOM 319 HG LEU A 30 2.041 24.609 23.390 1.00 0.00 H ATOM 320 HD21 LEU A 30 2.647 24.641 26.383 1.00 0.00 H ATOM 321 HD22 LEU A 30 3.705 23.981 25.111 1.00 0.00 H ATOM 322 HD23 LEU A 30 3.378 25.731 25.179 1.00 0.00 H ATOM 323 HD11 LEU A 30 -0.099 25.543 24.006 1.00 0.00 H ATOM 324 HD12 LEU A 30 0.399 25.619 25.714 1.00 0.00 H ATOM 325 HD13 LEU A 30 1.224 26.627 24.500 1.00 0.00 H ATOM 326 H LEU A 30 -1.487 23.643 24.479 1.00 0.00 H ATOM 327 N GLY A 31 -1.190 20.814 24.392 1.00 10.89 N ATOM 328 CA GLY A 31 -1.508 19.409 24.583 1.00 10.65 C ATOM 329 C GLY A 31 -0.828 18.721 25.763 1.00 7.44 C ATOM 330 O GLY A 31 -0.548 17.526 25.717 1.00 10.48 O ATOM 331 HA3 GLY A 31 -1.221 18.876 23.676 1.00 0.00 H ATOM 332 HA2 GLY A 31 -2.586 19.328 24.726 1.00 0.00 H ATOM 333 H GLY A 31 -1.842 21.548 24.736 1.00 0.00 H ATOM 334 N PHE A 32 -0.571 19.454 26.838 1.00 7.19 N ATOM 335 CA PHE A 32 -0.034 18.822 28.038 1.00 6.89 C ATOM 336 C PHE A 32 -0.386 19.624 29.262 1.00 7.70 C ATOM 337 O PHE A 32 -0.853 20.759 29.153 1.00 10.03 O ATOM 338 CB PHE A 32 1.486 18.531 27.937 1.00 9.27 C ATOM 339 CG PHE A 32 2.400 19.746 28.055 1.00 6.91 C ATOM 340 CD1 PHE A 32 3.026 20.054 29.262 1.00 7.50 C ATOM 341 CD2 PHE A 32 2.699 20.528 26.948 1.00 7.99 C ATOM 342 CE1 PHE A 32 3.928 21.135 29.366 1.00 9.05 C ATOM 343 CE2 PHE A 32 3.592 21.611 27.052 1.00 7.64 C ATOM 344 CZ PHE A 32 4.204 21.909 28.267 1.00 6.71 C ATOM 345 HA PHE A 32 -0.508 17.845 28.132 1.00 0.00 H ATOM 346 HB2 PHE A 32 1.748 17.835 28.734 1.00 0.00 H ATOM 347 HB3 PHE A 32 1.674 18.062 26.971 1.00 0.00 H ATOM 348 HD2 PHE A 32 2.237 20.301 25.987 1.00 0.00 H ATOM 349 HE2 PHE A 32 3.806 22.221 26.175 1.00 0.00 H ATOM 350 HZ PHE A 32 4.895 22.748 28.344 1.00 0.00 H ATOM 351 HE1 PHE A 32 4.406 21.355 30.321 1.00 0.00 H ATOM 352 HD1 PHE A 32 2.815 19.448 30.143 1.00 0.00 H ATOM 353 H PHE A 32 -0.752 20.478 26.825 1.00 0.00 H ATOM 354 N SER A 33 -0.171 19.028 30.431 1.00 7.90 N ATOM 355 CA SER A 33 -0.483 19.689 31.686 1.00 11.52 C ATOM 356 C SER A 33 0.783 19.798 32.521 1.00 10.18 C ATOM 357 O SER A 33 1.710 18.989 32.364 1.00 9.85 O ATOM 358 CB SER A 33 -1.557 18.926 32.458 1.00 9.56 C ATOM 359 OG SER A 33 -2.782 18.925 31.724 1.00 11.27 O ATOM 360 HA SER A 33 -0.871 20.685 31.471 1.00 0.00 H ATOM 361 HB2 SER A 33 -1.716 19.405 33.424 1.00 0.00 H ATOM 362 HB3 SER A 33 -1.228 17.898 32.613 1.00 0.00 H ATOM 363 HG SER A 33 -3.470 18.428 32.233 1.00 0.00 H ATOM 364 H SER A 33 0.229 18.068 30.447 1.00 0.00 H ATOM 365 N ILE A 34 0.825 20.814 33.380 1.00 7.84 N ATOM 366 CA ILE A 34 1.973 21.026 34.267 1.00 8.06 C ATOM 367 C ILE A 34 1.566 21.106 35.725 1.00 10.92 C ATOM 368 O ILE A 34 0.449 21.536 36.052 1.00 11.15 O ATOM 369 CB ILE A 34 2.789 22.320 33.938 1.00 10.90 C ATOM 370 CG1 ILE A 34 1.890 23.563 33.965 1.00 15.45 C ATOM 371 CG2 ILE A 34 3.540 22.188 32.617 1.00 9.04 C ATOM 372 CD1 ILE A 34 2.661 24.880 34.004 1.00 13.75 C ATOM 373 HA ILE A 34 2.602 20.153 34.093 1.00 0.00 H ATOM 374 HB ILE A 34 3.540 22.446 34.718 1.00 0.00 H ATOM 375 HG12 ILE A 34 1.266 23.556 33.071 1.00 0.00 H ATOM 376 HG13 ILE A 34 1.256 23.510 34.850 1.00 0.00 H ATOM 377 HD11 ILE A 34 3.282 24.910 34.899 1.00 0.00 H ATOM 378 HD12 ILE A 34 3.293 24.956 33.119 1.00 0.00 H ATOM 379 HD13 ILE A 34 1.957 25.712 34.021 1.00 0.00 H ATOM 380 HG21 ILE A 34 4.233 21.349 32.677 1.00 0.00 H ATOM 381 HG22 ILE A 34 2.827 22.015 31.811 1.00 0.00 H ATOM 382 HG23 ILE A 34 4.095 23.106 32.423 1.00 0.00 H ATOM 383 H ILE A 34 0.023 21.474 33.423 1.00 0.00 H ATOM 384 N GLY A 35 2.491 20.689 36.586 1.00 11.03 N ATOM 385 CA GLY A 35 2.401 20.876 38.026 1.00 10.03 C ATOM 386 C GLY A 35 3.706 21.467 38.529 1.00 10.65 C ATOM 387 O GLY A 35 4.721 21.416 37.832 1.00 10.32 O ATOM 388 HA3 GLY A 35 2.224 19.915 38.509 1.00 0.00 H ATOM 389 HA2 GLY A 35 1.579 21.554 38.256 1.00 0.00 H ATOM 390 H GLY A 35 3.327 20.201 36.207 1.00 0.00 H ATOM 391 N GLY A 36 3.695 22.040 39.724 1.00 11.81 N ATOM 392 CA GLY A 36 4.926 22.525 40.322 1.00 12.24 C ATOM 393 C GLY A 36 5.066 24.031 40.313 1.00 16.71 C ATOM 394 O GLY A 36 4.130 24.749 39.966 1.00 16.30 O ATOM 395 HA3 GLY A 36 5.765 22.100 39.771 1.00 0.00 H ATOM 396 HA2 GLY A 36 4.962 22.184 41.357 1.00 0.00 H ATOM 397 H GLY A 36 2.797 22.143 40.238 1.00 0.00 H ATOM 398 N GLY A 37 6.243 24.511 40.708 1.00 14.03 N ATOM 399 CA GLY A 37 6.485 25.936 40.817 1.00 15.56 C ATOM 400 C GLY A 37 6.957 26.288 42.215 1.00 16.97 C ATOM 401 O GLY A 37 6.684 25.562 43.170 1.00 17.43 O ATOM 402 HA3 GLY A 37 5.562 26.475 40.603 1.00 0.00 H ATOM 403 HA2 GLY A 37 7.249 26.227 40.096 1.00 0.00 H ATOM 404 H GLY A 37 7.008 23.847 40.944 1.00 0.00 H ATOM 405 N ILE A 38 7.655 27.409 42.344 1.00 22.89 N ATOM 406 CA ILE A 38 8.258 27.768 43.629 1.00 22.70 C ATOM 407 C ILE A 38 7.223 28.067 44.707 1.00 18.44 C ATOM 408 O ILE A 38 7.545 28.067 45.901 1.00 20.60 O ATOM 409 CB ILE A 38 9.210 28.963 43.493 1.00 19.43 C ATOM 410 CG1 ILE A 38 8.449 30.204 43.025 1.00 27.65 C ATOM 411 CG2 ILE A 38 10.354 28.617 42.551 1.00 27.92 C ATOM 412 CD1 ILE A 38 9.295 31.458 42.963 1.00 31.37 C ATOM 413 HA ILE A 38 8.824 26.890 43.941 1.00 0.00 H ATOM 414 HB ILE A 38 9.638 29.190 44.469 1.00 0.00 H ATOM 415 HG12 ILE A 38 8.053 30.008 42.029 1.00 0.00 H ATOM 416 HG13 ILE A 38 7.624 30.381 43.715 1.00 0.00 H ATOM 417 HD11 ILE A 38 9.691 31.677 43.955 1.00 0.00 H ATOM 418 HD12 ILE A 38 10.120 31.304 42.267 1.00 0.00 H ATOM 419 HD13 ILE A 38 8.682 32.292 42.622 1.00 0.00 H ATOM 420 HG21 ILE A 38 10.905 27.764 42.948 1.00 0.00 H ATOM 421 HG22 ILE A 38 9.952 28.366 41.569 1.00 0.00 H ATOM 422 HG23 ILE A 38 11.022 29.474 42.463 1.00 0.00 H ATOM 423 H ILE A 38 7.775 28.038 41.525 1.00 0.00 H ATOM 424 N ASP A 39 5.988 28.325 44.291 1.00 22.29 N ATOM 425 CA ASP A 39 4.910 28.644 45.218 1.00 20.86 C ATOM 426 C ASP A 39 4.096 27.410 45.621 1.00 27.04 C ATOM 427 O ASP A 39 3.104 27.519 46.347 1.00 27.09 O ATOM 428 CB ASP A 39 3.992 29.715 44.622 1.00 22.93 C ATOM 429 CG ASP A 39 3.366 29.290 43.304 1.00 23.01 C ATOM 430 OD1 ASP A 39 3.998 28.514 42.553 1.00 22.25 O ATOM 431 OD2 ASP A 39 2.235 29.739 43.018 1.00 29.91 O ATOM 432 HA ASP A 39 5.375 29.030 46.125 1.00 0.00 H ATOM 433 HB2 ASP A 39 3.194 29.926 45.334 1.00 0.00 H ATOM 434 HB3 ASP A 39 4.576 30.620 44.454 1.00 0.00 H ATOM 435 H ASP A 39 5.784 28.298 43.272 1.00 0.00 H ATOM 436 N GLN A 40 4.512 26.239 45.148 1.00 20.94 N ATOM 437 CA GLN A 40 3.783 25.005 45.441 1.00 19.17 C ATOM 438 C GLN A 40 4.540 24.100 46.428 1.00 19.39 C ATOM 439 O GLN A 40 5.726 24.310 46.703 1.00 21.70 O ATOM 440 CB GLN A 40 3.457 24.253 44.149 1.00 18.35 C ATOM 441 CG GLN A 40 2.711 25.097 43.114 1.00 18.77 C ATOM 442 CD GLN A 40 1.378 25.608 43.628 1.00 28.71 C ATOM 443 OE1 GLN A 40 0.667 24.909 44.353 1.00 25.46 O ATOM 444 NE2 GLN A 40 1.033 26.836 43.257 1.00 27.89 N ATOM 445 HA GLN A 40 2.849 25.289 45.925 1.00 0.00 H ATOM 446 HB2 GLN A 40 4.392 23.911 43.705 1.00 0.00 H ATOM 447 HB3 GLN A 40 2.839 23.391 44.400 1.00 0.00 H ATOM 448 HG2 GLN A 40 3.333 25.951 42.846 1.00 0.00 H ATOM 449 HG3 GLN A 40 2.533 24.487 42.228 1.00 0.00 H ATOM 450 HE22 GLN A 40 1.664 27.391 42.644 1.00 0.00 H ATOM 451 HE21 GLN A 40 0.132 27.243 43.580 1.00 0.00 H ATOM 452 H GLN A 40 5.369 26.200 44.560 1.00 0.00 H ATOM 453 N ASP A 41 3.838 23.105 46.965 1.00 21.70 N ATOM 454 CA ASP A 41 4.420 22.155 47.913 1.00 21.89 C ATOM 455 C ASP A 41 5.126 21.033 47.153 1.00 20.50 C ATOM 456 O ASP A 41 4.464 20.152 46.603 1.00 18.07 O ATOM 457 CB ASP A 41 3.309 21.560 48.784 1.00 19.37 C ATOM 458 CG ASP A 41 3.841 20.616 49.856 1.00 23.16 C ATOM 459 OD1 ASP A 41 5.059 20.330 49.858 1.00 22.27 O ATOM 460 OD2 ASP A 41 3.030 20.144 50.683 1.00 27.07 O ATOM 461 HA ASP A 41 5.143 22.672 48.544 1.00 0.00 H ATOM 462 HB2 ASP A 41 2.774 22.375 49.271 1.00 0.00 H ATOM 463 HB3 ASP A 41 2.622 21.008 48.143 1.00 0.00 H ATOM 464 H ASP A 41 2.838 22.999 46.701 1.00 0.00 H ATOM 465 N PRO A 42 6.470 21.049 47.123 1.00 17.24 N ATOM 466 CA PRO A 42 7.168 20.042 46.317 1.00 20.50 C ATOM 467 C PRO A 42 6.970 18.614 46.830 1.00 18.82 C ATOM 468 O PRO A 42 7.176 17.659 46.089 1.00 18.98 O ATOM 469 CB PRO A 42 8.637 20.462 46.431 1.00 16.51 C ATOM 470 CG PRO A 42 8.722 21.141 47.758 1.00 21.00 C ATOM 471 CD PRO A 42 7.403 21.853 47.935 1.00 19.81 C ATOM 472 HA PRO A 42 6.791 20.013 45.295 1.00 0.00 H ATOM 473 HD3 PRO A 42 7.101 21.862 48.982 1.00 0.00 H ATOM 474 HD2 PRO A 42 7.459 22.877 47.566 1.00 0.00 H ATOM 475 HG3 PRO A 42 9.545 21.856 47.768 1.00 0.00 H ATOM 476 HG2 PRO A 42 8.869 20.409 48.552 1.00 0.00 H ATOM 477 HB2 PRO A 42 9.292 19.591 46.399 1.00 0.00 H ATOM 478 HB3 PRO A 42 8.907 21.147 45.628 1.00 0.00 H ATOM 479 N SER A 43 6.578 18.457 48.087 1.00 22.66 N ATOM 480 CA SER A 43 6.426 17.110 48.619 1.00 22.54 C ATOM 481 C SER A 43 5.219 16.389 48.013 1.00 19.05 C ATOM 482 O SER A 43 5.051 15.181 48.215 1.00 23.14 O ATOM 483 CB SER A 43 6.338 17.127 50.150 1.00 24.59 C ATOM 484 OG SER A 43 5.092 17.629 50.603 1.00 24.32 O ATOM 485 HA SER A 43 7.317 16.551 48.334 1.00 0.00 H ATOM 486 HB2 SER A 43 7.136 17.758 50.542 1.00 0.00 H ATOM 487 HB3 SER A 43 6.465 16.110 50.522 1.00 0.00 H ATOM 488 HG SER A 43 4.972 18.555 50.275 1.00 0.00 H ATOM 489 H SER A 43 6.382 19.285 48.685 1.00 0.00 H ATOM 490 N GLN A 44 4.394 17.132 47.271 1.00 17.58 N ATOM 491 CA GLN A 44 3.167 16.604 46.675 1.00 18.45 C ATOM 492 C GLN A 44 3.372 16.175 45.223 1.00 19.77 C ATOM 493 O GLN A 44 2.458 15.649 44.592 1.00 20.90 O ATOM 494 CB GLN A 44 2.056 17.657 46.722 1.00 22.74 C ATOM 495 CG GLN A 44 1.740 18.198 48.106 1.00 26.82 C ATOM 496 CD GLN A 44 0.957 17.219 48.959 1.00 26.27 C ATOM 497 OE1 GLN A 44 0.452 16.212 48.467 1.00 27.73 O ATOM 498 NE2 GLN A 44 0.857 17.511 50.251 1.00 37.05 N ATOM 499 HA GLN A 44 2.885 15.728 47.259 1.00 0.00 H ATOM 500 HB2 GLN A 44 2.357 18.494 46.092 1.00 0.00 H ATOM 501 HB3 GLN A 44 1.148 17.209 46.319 1.00 0.00 H ATOM 502 HG2 GLN A 44 2.678 18.428 48.612 1.00 0.00 H ATOM 503 HG3 GLN A 44 1.154 19.111 47.997 1.00 0.00 H ATOM 504 HE22 GLN A 44 1.300 18.374 50.625 1.00 0.00 H ATOM 505 HE21 GLN A 44 0.335 16.876 50.889 1.00 0.00 H ATOM 506 H GLN A 44 4.635 18.131 47.110 1.00 0.00 H ATOM 507 N ASN A 45 4.568 16.415 44.700 1.00 16.79 N ATOM 508 CA ASN A 45 4.897 16.094 43.311 1.00 16.74 C ATOM 509 C ASN A 45 5.239 14.615 43.196 1.00 18.50 C ATOM 510 O ASN A 45 6.266 14.180 43.702 1.00 22.71 O ATOM 511 CB ASN A 45 6.099 16.940 42.880 1.00 17.35 C ATOM 512 CG ASN A 45 6.498 16.719 41.432 1.00 18.07 C ATOM 513 OD1 ASN A 45 6.149 15.711 40.821 1.00 18.24 O ATOM 514 ND2 ASN A 45 7.261 17.659 40.885 1.00 16.49 N ATOM 515 HA ASN A 45 4.045 16.311 42.667 1.00 0.00 H ATOM 516 HB2 ASN A 45 5.848 17.992 43.014 1.00 0.00 H ATOM 517 HB3 ASN A 45 6.947 16.686 43.516 1.00 0.00 H ATOM 518 HD22 ASN A 45 7.532 18.496 41.439 1.00 0.00 H ATOM 519 HD21 ASN A 45 7.587 17.558 39.903 1.00 0.00 H ATOM 520 H ASN A 45 5.299 16.848 45.300 1.00 0.00 H ATOM 521 N PRO A 46 4.387 13.835 42.516 1.00 22.42 N ATOM 522 CA PRO A 46 4.614 12.389 42.432 1.00 22.65 C ATOM 523 C PRO A 46 5.699 11.999 41.427 1.00 23.19 C ATOM 524 O PRO A 46 6.102 10.833 41.393 1.00 26.65 O ATOM 525 CB PRO A 46 3.254 11.855 41.978 1.00 31.28 C ATOM 526 CG PRO A 46 2.666 12.965 41.198 1.00 27.13 C ATOM 527 CD PRO A 46 3.143 14.243 41.840 1.00 23.68 C ATOM 528 HA PRO A 46 4.968 11.985 43.380 1.00 0.00 H ATOM 529 HD3 PRO A 46 3.338 15.009 41.089 1.00 0.00 H ATOM 530 HD2 PRO A 46 2.412 14.617 42.557 1.00 0.00 H ATOM 531 HG3 PRO A 46 1.578 12.912 41.229 1.00 0.00 H ATOM 532 HG2 PRO A 46 3.002 12.916 40.162 1.00 0.00 H ATOM 533 HB2 PRO A 46 3.375 10.968 41.356 1.00 0.00 H ATOM 534 HB3 PRO A 46 2.628 11.612 42.837 1.00 0.00 H ATOM 535 N PHE A 47 6.183 12.960 40.640 1.00 19.48 N ATOM 536 CA PHE A 47 7.082 12.645 39.534 1.00 20.99 C ATOM 537 C PHE A 47 8.553 12.872 39.845 1.00 26.48 C ATOM 538 O PHE A 47 9.420 12.261 39.223 1.00 28.53 O ATOM 539 CB PHE A 47 6.689 13.440 38.282 1.00 15.39 C ATOM 540 CG PHE A 47 5.282 13.191 37.834 1.00 16.95 C ATOM 541 CD1 PHE A 47 4.965 12.036 37.144 1.00 21.72 C ATOM 542 CD2 PHE A 47 4.277 14.099 38.109 1.00 16.49 C ATOM 543 CE1 PHE A 47 3.674 11.790 36.743 1.00 24.08 C ATOM 544 CE2 PHE A 47 2.976 13.856 37.715 1.00 18.99 C ATOM 545 CZ PHE A 47 2.676 12.699 37.026 1.00 24.71 C ATOM 546 HA PHE A 47 6.967 11.576 39.357 1.00 0.00 H ATOM 547 HB2 PHE A 47 6.800 14.503 38.499 1.00 0.00 H ATOM 548 HB3 PHE A 47 7.364 13.164 37.472 1.00 0.00 H ATOM 549 HD2 PHE A 47 4.514 15.019 38.644 1.00 0.00 H ATOM 550 HE2 PHE A 47 2.190 14.575 37.947 1.00 0.00 H ATOM 551 HZ PHE A 47 1.653 12.504 36.706 1.00 0.00 H ATOM 552 HE1 PHE A 47 3.438 10.875 36.200 1.00 0.00 H ATOM 553 HD1 PHE A 47 5.748 11.313 36.916 1.00 0.00 H ATOM 554 H PHE A 47 5.916 13.949 40.817 1.00 0.00 H ATOM 555 N SER A 48 8.835 13.744 40.806 1.00 18.54 N ATOM 556 CA SER A 48 10.210 14.155 41.076 1.00 17.91 C ATOM 557 C SER A 48 11.006 13.113 41.860 1.00 25.94 C ATOM 558 O SER A 48 10.473 12.447 42.748 1.00 31.46 O ATOM 559 CB SER A 48 10.214 15.482 41.829 1.00 20.09 C ATOM 560 OG SER A 48 9.413 15.374 42.996 1.00 19.68 O ATOM 561 HA SER A 48 10.702 14.265 40.109 1.00 0.00 H ATOM 562 HB2 SER A 48 9.813 16.265 41.185 1.00 0.00 H ATOM 563 HB3 SER A 48 11.236 15.734 42.113 1.00 0.00 H ATOM 564 HG SER A 48 9.419 16.237 43.480 1.00 0.00 H ATOM 565 H SER A 48 8.062 14.142 41.377 1.00 0.00 H ATOM 566 N GLU A 49 12.289 12.987 41.536 1.00 27.37 N ATOM 567 CA GLU A 49 13.174 12.095 42.280 1.00 25.90 C ATOM 568 C GLU A 49 13.470 12.673 43.659 1.00 23.64 C ATOM 569 O GLU A 49 13.551 11.941 44.645 1.00 29.86 O ATOM 570 CB GLU A 49 14.482 11.872 41.515 1.00 30.00 C ATOM 571 CG GLU A 49 15.312 10.713 42.043 1.00 56.92 C ATOM 572 CD GLU A 49 16.799 10.895 41.800 1.00 79.26 C ATOM 573 OE1 GLU A 49 17.208 12.004 41.395 1.00 53.63 O ATOM 574 OE2 GLU A 49 17.560 9.928 42.018 1.00 84.39 O ATOM 575 HA GLU A 49 12.671 11.135 42.399 1.00 0.00 H ATOM 576 HB2 GLU A 49 14.240 11.674 40.471 1.00 0.00 H ATOM 577 HB3 GLU A 49 15.079 12.781 41.582 1.00 0.00 H ATOM 578 HG2 GLU A 49 15.143 10.624 43.116 1.00 0.00 H ATOM 579 HG3 GLU A 49 14.987 9.798 41.548 1.00 0.00 H ATOM 580 H GLU A 49 12.670 13.534 40.738 1.00 0.00 H ATOM 581 N ASP A 50 13.628 13.994 43.711 1.00 25.42 N ATOM 582 CA ASP A 50 13.935 14.709 44.949 1.00 22.74 C ATOM 583 C ASP A 50 12.736 15.559 45.341 1.00 25.27 C ATOM 584 O ASP A 50 12.391 16.509 44.646 1.00 23.24 O ATOM 585 CB ASP A 50 15.170 15.599 44.744 1.00 30.67 C ATOM 586 CG ASP A 50 15.611 16.313 46.015 1.00 33.80 C ATOM 587 OD1 ASP A 50 16.825 16.574 46.149 1.00 49.62 O ATOM 588 OD2 ASP A 50 14.763 16.622 46.879 1.00 31.37 O ATOM 589 HA ASP A 50 14.149 13.995 45.744 1.00 0.00 H ATOM 590 HB2 ASP A 50 15.992 14.976 44.393 1.00 0.00 H ATOM 591 HB3 ASP A 50 14.936 16.349 43.988 1.00 0.00 H ATOM 592 H ASP A 50 13.529 14.541 42.832 1.00 0.00 H ATOM 593 N LYS A 51 12.111 15.226 46.464 1.00 23.20 N ATOM 594 CA LYS A 51 10.865 15.883 46.852 1.00 25.48 C ATOM 595 C LYS A 51 11.048 17.305 47.390 1.00 19.87 C ATOM 596 O LYS A 51 10.093 17.909 47.889 1.00 23.20 O ATOM 597 CB LYS A 51 10.090 15.027 47.851 1.00 20.78 C ATOM 598 CG LYS A 51 9.734 13.650 47.330 1.00 22.12 C ATOM 599 CD LYS A 51 9.028 13.733 45.980 1.00 21.65 C ATOM 600 CE LYS A 51 8.620 12.351 45.513 1.00 22.73 C ATOM 601 NZ LYS A 51 8.049 12.395 44.151 1.00 21.68 N ATOM 602 HA LYS A 51 10.288 15.984 45.933 1.00 0.00 H ATOM 603 HB2 LYS A 51 10.699 14.909 48.747 1.00 0.00 H ATOM 604 HB3 LYS A 51 9.167 15.547 48.106 1.00 0.00 H ATOM 605 HG2 LYS A 51 10.647 13.065 47.218 1.00 0.00 H ATOM 606 HG3 LYS A 51 9.075 13.159 48.046 1.00 0.00 H ATOM 607 HD2 LYS A 51 8.139 14.357 46.077 1.00 0.00 H ATOM 608 HD3 LYS A 51 9.703 14.175 45.248 1.00 0.00 H ATOM 609 HE2 LYS A 51 7.874 11.949 46.199 1.00 0.00 H ATOM 610 HE3 LYS A 51 9.496 11.703 45.511 1.00 0.00 H ATOM 611 HZ1 LYS A 51 7.209 13.008 44.148 1.00 0.00 H ATOM 612 HZ2 LYS A 51 8.758 12.773 43.491 1.00 0.00 H ATOM 613 HZ3 LYS A 51 7.779 11.434 43.858 1.00 0.00 H ATOM 614 H LYS A 51 12.514 14.488 47.076 1.00 0.00 H ATOM 615 N THR A 52 12.266 17.836 47.296 1.00 20.72 N ATOM 616 CA THR A 52 12.490 19.256 47.562 1.00 21.60 C ATOM 617 C THR A 52 12.499 20.050 46.251 1.00 21.50 C ATOM 618 O THR A 52 12.581 21.279 46.263 1.00 20.00 O ATOM 619 CB THR A 52 13.812 19.512 48.300 1.00 22.93 C ATOM 620 OG1 THR A 52 14.911 19.230 47.422 1.00 28.12 O ATOM 621 CG2 THR A 52 13.912 18.635 49.537 1.00 30.17 C ATOM 622 HA THR A 52 11.671 19.585 48.201 1.00 0.00 H ATOM 623 HB THR A 52 13.844 20.557 48.609 1.00 0.00 H ATOM 624 HG1 THR A 52 14.869 18.283 47.137 1.00 0.00 H ATOM 625 HG23 THR A 52 13.076 18.851 50.202 1.00 0.00 H ATOM 626 HG21 THR A 52 13.881 17.586 49.241 1.00 0.00 H ATOM 627 HG22 THR A 52 14.850 18.841 50.052 1.00 0.00 H ATOM 628 H THR A 52 13.069 17.232 47.030 1.00 0.00 H ATOM 629 N ASP A 53 12.408 19.335 45.132 1.00 19.42 N ATOM 630 CA ASP A 53 12.431 19.935 43.799 1.00 18.79 C ATOM 631 C ASP A 53 11.149 20.723 43.544 1.00 18.37 C ATOM 632 O ASP A 53 10.075 20.138 43.390 1.00 18.58 O ATOM 633 CB ASP A 53 12.584 18.822 42.752 1.00 17.39 C ATOM 634 CG ASP A 53 12.786 19.342 41.340 1.00 21.38 C ATOM 635 OD1 ASP A 53 12.485 20.520 41.067 1.00 19.20 O ATOM 636 OD2 ASP A 53 13.259 18.550 40.497 1.00 23.29 O ATOM 637 HA ASP A 53 13.273 20.624 43.729 1.00 0.00 H ATOM 638 HB2 ASP A 53 13.445 18.211 43.021 1.00 0.00 H ATOM 639 HB3 ASP A 53 11.684 18.207 42.768 1.00 0.00 H ATOM 640 H ASP A 53 12.316 18.302 45.209 1.00 0.00 H ATOM 641 N LYS A 54 11.264 22.050 43.502 1.00 16.90 N ATOM 642 CA LYS A 54 10.102 22.908 43.285 1.00 18.13 C ATOM 643 C LYS A 54 9.855 23.216 41.804 1.00 16.52 C ATOM 644 O LYS A 54 9.088 24.121 41.475 1.00 16.21 O ATOM 645 CB LYS A 54 10.250 24.218 44.062 1.00 19.91 C ATOM 646 CG LYS A 54 10.463 24.051 45.569 1.00 22.40 C ATOM 647 CD LYS A 54 10.622 25.405 46.240 1.00 31.31 C ATOM 648 CE LYS A 54 10.816 25.262 47.739 1.00 39.82 C ATOM 649 NZ LYS A 54 11.189 26.556 48.374 1.00 68.46 N ATOM 650 HA LYS A 54 9.238 22.353 43.651 1.00 0.00 H ATOM 651 HB2 LYS A 54 11.105 24.758 43.656 1.00 0.00 H ATOM 652 HB3 LYS A 54 9.345 24.806 43.910 1.00 0.00 H ATOM 653 HG2 LYS A 54 9.603 23.537 45.998 1.00 0.00 H ATOM 654 HG3 LYS A 54 11.361 23.458 45.741 1.00 0.00 H ATOM 655 HD2 LYS A 54 11.490 25.911 45.817 1.00 0.00 H ATOM 656 HD3 LYS A 54 9.729 26.001 46.053 1.00 0.00 H ATOM 657 HE2 LYS A 54 11.608 24.536 47.925 1.00 0.00 H ATOM 658 HE3 LYS A 54 9.886 24.906 48.183 1.00 0.00 H ATOM 659 HZ1 LYS A 54 12.079 26.900 47.960 1.00 0.00 H ATOM 660 HZ2 LYS A 54 10.435 27.253 48.207 1.00 0.00 H ATOM 661 HZ3 LYS A 54 11.312 26.416 49.397 1.00 0.00 H ATOM 662 H LYS A 54 12.201 22.484 43.626 1.00 0.00 H ATOM 663 N GLY A 55 10.503 22.468 40.913 1.00 13.26 N ATOM 664 CA GLY A 55 10.410 22.743 39.490 1.00 13.71 C ATOM 665 C GLY A 55 9.086 22.415 38.822 1.00 11.16 C ATOM 666 O GLY A 55 8.157 21.896 39.444 1.00 13.51 O ATOM 667 HA3 GLY A 55 11.186 22.165 38.989 1.00 0.00 H ATOM 668 HA2 GLY A 55 10.600 23.806 39.345 1.00 0.00 H ATOM 669 H GLY A 55 11.086 21.672 41.242 1.00 0.00 H ATOM 670 N ILE A 56 9.021 22.738 37.535 1.00 11.85 N ATOM 671 CA ILE A 56 7.842 22.525 36.710 1.00 9.20 C ATOM 672 C ILE A 56 7.940 21.159 36.052 1.00 12.99 C ATOM 673 O ILE A 56 8.926 20.858 35.371 1.00 11.94 O ATOM 674 CB ILE A 56 7.756 23.616 35.622 1.00 7.20 C ATOM 675 CG1 ILE A 56 7.712 25.004 36.264 1.00 10.27 C ATOM 676 CG2 ILE A 56 6.545 23.406 34.742 1.00 9.57 C ATOM 677 CD1 ILE A 56 6.484 25.260 37.134 1.00 13.18 C ATOM 678 HA ILE A 56 6.949 22.575 37.333 1.00 0.00 H ATOM 679 HB ILE A 56 8.647 23.545 34.998 1.00 0.00 H ATOM 680 HG12 ILE A 56 8.600 25.120 36.885 1.00 0.00 H ATOM 681 HG13 ILE A 56 7.727 25.748 35.468 1.00 0.00 H ATOM 682 HD11 ILE A 56 5.584 25.162 36.527 1.00 0.00 H ATOM 683 HD12 ILE A 56 6.458 24.533 37.946 1.00 0.00 H ATOM 684 HD13 ILE A 56 6.537 26.267 37.548 1.00 0.00 H ATOM 685 HG21 ILE A 56 6.614 22.432 34.258 1.00 0.00 H ATOM 686 HG22 ILE A 56 5.643 23.447 35.352 1.00 0.00 H ATOM 687 HG23 ILE A 56 6.508 24.188 33.984 1.00 0.00 H ATOM 688 H ILE A 56 9.859 23.167 37.093 1.00 0.00 H ATOM 689 N TYR A 57 6.915 20.336 36.242 1.00 11.09 N ATOM 690 CA TYR A 57 6.887 18.986 35.699 1.00 8.87 C ATOM 691 C TYR A 57 5.679 18.790 34.808 1.00 8.74 C ATOM 692 O TYR A 57 4.610 19.328 35.081 1.00 10.44 O ATOM 693 CB TYR A 57 6.856 17.947 36.826 1.00 11.25 C ATOM 694 CG TYR A 57 8.209 17.679 37.432 1.00 11.86 C ATOM 695 CD1 TYR A 57 8.848 18.636 38.214 1.00 11.59 C ATOM 696 CD2 TYR A 57 8.850 16.470 37.212 1.00 11.71 C ATOM 697 CE1 TYR A 57 10.114 18.385 38.769 1.00 12.53 C ATOM 698 CE2 TYR A 57 10.115 16.214 37.753 1.00 13.57 C ATOM 699 CZ TYR A 57 10.730 17.171 38.525 1.00 15.06 C ATOM 700 OH TYR A 57 11.973 16.892 39.049 1.00 16.91 O ATOM 701 HA TYR A 57 7.794 18.849 35.109 1.00 0.00 H ATOM 702 HB3 TYR A 57 6.466 17.012 36.423 1.00 0.00 H ATOM 703 HB2 TYR A 57 6.191 18.308 37.611 1.00 0.00 H ATOM 704 HD2 TYR A 57 8.361 15.706 36.608 1.00 0.00 H ATOM 705 HE2 TYR A 57 10.610 15.261 37.563 1.00 0.00 H ATOM 706 HE1 TYR A 57 10.605 19.138 39.385 1.00 0.00 H ATOM 707 HD1 TYR A 57 8.360 19.593 38.398 1.00 0.00 H ATOM 708 HH TYR A 57 12.288 17.667 39.578 1.00 0.00 H ATOM 709 H TYR A 57 6.102 20.669 36.799 1.00 0.00 H ATOM 710 N VAL A 58 5.866 18.013 33.750 1.00 9.41 N ATOM 711 CA VAL A 58 4.762 17.556 32.900 1.00 9.34 C ATOM 712 C VAL A 58 3.967 16.469 33.623 1.00 11.65 C ATOM 713 O VAL A 58 4.511 15.426 33.990 1.00 10.79 O ATOM 714 CB VAL A 58 5.313 16.977 31.573 1.00 9.07 C ATOM 715 CG1 VAL A 58 4.169 16.480 30.694 1.00 9.30 C ATOM 716 CG2 VAL A 58 6.176 18.009 30.837 1.00 11.53 C ATOM 717 HA VAL A 58 4.115 18.406 32.684 1.00 0.00 H ATOM 718 HB VAL A 58 5.953 16.127 31.808 1.00 0.00 H ATOM 719 HG11 VAL A 58 3.620 15.700 31.221 1.00 0.00 H ATOM 720 HG12 VAL A 58 3.499 17.310 30.469 1.00 0.00 H ATOM 721 HG13 VAL A 58 4.574 16.077 29.766 1.00 0.00 H ATOM 722 HG21 VAL A 58 5.574 18.889 30.611 1.00 0.00 H ATOM 723 HG22 VAL A 58 7.017 18.295 31.469 1.00 0.00 H ATOM 724 HG23 VAL A 58 6.549 17.574 29.910 1.00 0.00 H ATOM 725 H VAL A 58 6.834 17.716 33.514 1.00 0.00 H ATOM 726 N THR A 59 2.667 16.699 33.823 1.00 9.62 N ATOM 727 CA THR A 59 1.857 15.787 34.627 1.00 13.95 C ATOM 728 C THR A 59 0.898 14.944 33.789 1.00 14.17 C ATOM 729 O THR A 59 0.315 13.966 34.276 1.00 16.36 O ATOM 730 CB THR A 59 1.059 16.571 35.689 1.00 12.36 C ATOM 731 OG1 THR A 59 0.217 17.535 35.039 1.00 14.01 O ATOM 732 CG2 THR A 59 2.003 17.311 36.606 1.00 11.86 C ATOM 733 HA THR A 59 2.554 15.102 35.111 1.00 0.00 H ATOM 734 HB THR A 59 0.459 15.866 36.265 1.00 0.00 H ATOM 735 HG1 THR A 59 -0.410 17.068 34.432 1.00 0.00 H ATOM 736 HG23 THR A 59 2.653 16.596 37.110 1.00 0.00 H ATOM 737 HG21 THR A 59 2.608 18.003 36.021 1.00 0.00 H ATOM 738 HG22 THR A 59 1.427 17.866 37.347 1.00 0.00 H ATOM 739 H THR A 59 2.225 17.540 33.400 1.00 0.00 H ATOM 740 N ARG A 60 0.729 15.334 32.531 1.00 10.42 N ATOM 741 CA ARG A 60 -0.188 14.641 31.635 1.00 11.61 C ATOM 742 C ARG A 60 0.143 15.074 30.214 1.00 8.17 C ATOM 743 O ARG A 60 0.565 16.211 29.984 1.00 8.54 O ATOM 744 CB ARG A 60 -1.644 14.978 31.997 1.00 16.64 C ATOM 745 CG ARG A 60 -2.693 14.097 31.337 1.00 18.14 C ATOM 746 CD ARG A 60 -4.104 14.424 31.870 1.00 15.72 C ATOM 747 NE ARG A 60 -4.251 15.859 32.089 1.00 18.91 N ATOM 748 CZ ARG A 60 -5.038 16.422 33.004 1.00 19.34 C ATOM 749 NH1 ARG A 60 -5.797 15.675 33.806 1.00 24.44 N ATOM 750 NH2 ARG A 60 -5.073 17.745 33.105 1.00 14.99 N ATOM 751 HA ARG A 60 -0.077 13.561 31.727 1.00 0.00 H ATOM 752 HB2 ARG A 60 -1.754 14.883 33.077 1.00 0.00 H ATOM 753 HB3 ARG A 60 -1.835 16.010 31.702 1.00 0.00 H ATOM 754 HG2 ARG A 60 -2.671 14.262 30.260 1.00 0.00 H ATOM 755 HG3 ARG A 60 -2.465 13.052 31.548 1.00 0.00 H ATOM 756 HD2 ARG A 60 -4.262 13.900 32.812 1.00 0.00 H ATOM 757 HD3 ARG A 60 -4.847 14.094 31.144 1.00 0.00 H ATOM 758 HE ARG A 60 -3.696 16.494 31.481 1.00 0.00 H ATOM 759 HH12 ARG A 60 -6.407 16.129 34.516 1.00 0.00 H ATOM 760 HH11 ARG A 60 -5.779 14.639 33.722 1.00 0.00 H ATOM 761 HH22 ARG A 60 -5.684 18.196 33.816 1.00 0.00 H ATOM 762 HH21 ARG A 60 -4.490 18.330 32.473 1.00 0.00 H ATOM 763 H ARG A 60 1.263 16.153 32.177 1.00 0.00 H ATOM 764 N VAL A 61 -0.022 14.157 29.271 1.00 8.92 N ATOM 765 CA VAL A 61 0.201 14.466 27.868 1.00 11.01 C ATOM 766 C VAL A 61 -0.965 13.947 27.033 1.00 14.05 C ATOM 767 O VAL A 61 -1.379 12.800 27.177 1.00 15.98 O ATOM 768 CB VAL A 61 1.548 13.876 27.372 1.00 13.99 C ATOM 769 CG1 VAL A 61 1.757 14.131 25.881 1.00 14.33 C ATOM 770 CG2 VAL A 61 2.711 14.462 28.175 1.00 13.00 C ATOM 771 HA VAL A 61 0.259 15.549 27.754 1.00 0.00 H ATOM 772 HB VAL A 61 1.514 12.797 27.525 1.00 0.00 H ATOM 773 HG11 VAL A 61 0.948 13.666 25.317 1.00 0.00 H ATOM 774 HG12 VAL A 61 1.761 15.205 25.694 1.00 0.00 H ATOM 775 HG13 VAL A 61 2.710 13.703 25.571 1.00 0.00 H ATOM 776 HG21 VAL A 61 2.728 15.545 28.050 1.00 0.00 H ATOM 777 HG22 VAL A 61 2.582 14.219 29.230 1.00 0.00 H ATOM 778 HG23 VAL A 61 3.649 14.039 27.815 1.00 0.00 H ATOM 779 H VAL A 61 -0.317 13.197 29.540 1.00 0.00 H ATOM 780 N SER A 62 -1.500 14.803 26.173 1.00 9.47 N ATOM 781 CA SER A 62 -2.696 14.449 25.407 1.00 13.59 C ATOM 782 C SER A 62 -2.308 13.562 24.228 1.00 15.46 C ATOM 783 O SER A 62 -1.429 13.923 23.428 1.00 16.72 O ATOM 784 CB SER A 62 -3.408 15.715 24.926 1.00 12.37 C ATOM 785 OG SER A 62 -4.574 15.401 24.166 1.00 16.40 O ATOM 786 HA SER A 62 -3.384 13.896 26.047 1.00 0.00 H ATOM 787 HB2 SER A 62 -2.724 16.292 24.304 1.00 0.00 H ATOM 788 HB3 SER A 62 -3.699 16.309 25.792 1.00 0.00 H ATOM 789 HG SER A 62 -5.010 16.239 23.871 1.00 0.00 H ATOM 790 H SER A 62 -1.064 15.738 26.041 1.00 0.00 H ATOM 791 N GLU A 63 -2.912 12.383 24.142 1.00 18.93 N ATOM 792 CA GLU A 63 -2.626 11.487 23.030 1.00 19.20 C ATOM 793 C GLU A 63 -2.906 12.194 21.714 1.00 17.12 C ATOM 794 O GLU A 63 -3.985 12.743 21.513 1.00 20.63 O ATOM 795 CB GLU A 63 -3.429 10.188 23.138 1.00 24.81 C ATOM 796 CG GLU A 63 -2.828 9.192 24.122 1.00 58.87 C ATOM 797 CD GLU A 63 -3.638 7.916 24.249 1.00 73.85 C ATOM 798 OE1 GLU A 63 -4.702 7.812 23.600 1.00 68.32 O ATOM 799 OE2 GLU A 63 -3.208 7.016 25.003 1.00 54.81 O ATOM 800 HA GLU A 63 -1.571 11.217 23.067 1.00 0.00 H ATOM 801 HB2 GLU A 63 -4.440 10.431 23.465 1.00 0.00 H ATOM 802 HB3 GLU A 63 -3.469 9.722 22.153 1.00 0.00 H ATOM 803 HG2 GLU A 63 -1.824 8.934 23.785 1.00 0.00 H ATOM 804 HG3 GLU A 63 -2.770 9.665 25.102 1.00 0.00 H ATOM 805 H GLU A 63 -3.594 12.097 24.873 1.00 0.00 H ATOM 806 N GLY A 64 -1.908 12.199 20.834 1.00 23.21 N ATOM 807 CA GLY A 64 -2.032 12.800 19.521 1.00 20.71 C ATOM 808 C GLY A 64 -1.847 14.304 19.442 1.00 23.05 C ATOM 809 O GLY A 64 -1.931 14.882 18.359 1.00 21.95 O ATOM 810 HA3 GLY A 64 -3.028 12.569 19.144 1.00 0.00 H ATOM 811 HA2 GLY A 64 -1.284 12.340 18.875 1.00 0.00 H ATOM 812 H GLY A 64 -1.005 11.755 21.098 1.00 0.00 H ATOM 813 N GLY A 65 -1.582 14.938 20.581 1.00 16.09 N ATOM 814 CA GLY A 65 -1.455 16.382 20.638 1.00 12.94 C ATOM 815 C GLY A 65 -0.061 16.884 20.295 1.00 13.87 C ATOM 816 O GLY A 65 0.845 16.092 20.079 1.00 14.65 O ATOM 817 HA3 GLY A 65 -1.701 16.710 21.648 1.00 0.00 H ATOM 818 HA2 GLY A 65 -2.162 16.819 19.933 1.00 0.00 H ATOM 819 H GLY A 65 -1.463 14.384 21.453 1.00 0.00 H ATOM 820 N PRO A 66 0.102 18.208 20.227 1.00 14.65 N ATOM 821 CA PRO A 66 1.368 18.823 19.819 1.00 13.14 C ATOM 822 C PRO A 66 2.528 18.347 20.695 1.00 9.67 C ATOM 823 O PRO A 66 3.602 18.027 20.169 1.00 10.93 O ATOM 824 CB PRO A 66 1.112 20.316 20.027 1.00 12.86 C ATOM 825 CG PRO A 66 -0.398 20.465 19.866 1.00 14.75 C ATOM 826 CD PRO A 66 -0.961 19.205 20.453 1.00 18.22 C ATOM 827 HA PRO A 66 1.650 18.569 18.797 1.00 0.00 H ATOM 828 HD3 PRO A 66 -1.160 19.327 21.518 1.00 0.00 H ATOM 829 HD2 PRO A 66 -1.880 18.916 19.944 1.00 0.00 H ATOM 830 HG3 PRO A 66 -0.667 20.555 18.814 1.00 0.00 H ATOM 831 HG2 PRO A 66 -0.760 21.339 20.408 1.00 0.00 H ATOM 832 HB2 PRO A 66 1.427 20.627 21.023 1.00 0.00 H ATOM 833 HB3 PRO A 66 1.641 20.907 19.279 1.00 0.00 H ATOM 834 N ALA A 67 2.323 18.300 22.006 1.00 9.24 N ATOM 835 CA ALA A 67 3.385 17.863 22.917 1.00 11.34 C ATOM 836 C ALA A 67 3.814 16.415 22.678 1.00 11.75 C ATOM 837 O ALA A 67 5.019 16.113 22.645 1.00 10.74 O ATOM 838 CB ALA A 67 2.971 18.062 24.366 1.00 12.45 C ATOM 839 HA ALA A 67 4.251 18.490 22.705 1.00 0.00 H ATOM 840 HB1 ALA A 67 2.769 19.118 24.543 1.00 0.00 H ATOM 841 HB2 ALA A 67 2.072 17.480 24.569 1.00 0.00 H ATOM 842 HB3 ALA A 67 3.776 17.730 25.021 1.00 0.00 H ATOM 843 H ALA A 67 1.397 18.577 22.391 1.00 0.00 H ATOM 844 N GLU A 68 2.841 15.517 22.545 1.00 11.74 N ATOM 845 CA GLU A 68 3.144 14.121 22.263 1.00 13.18 C ATOM 846 C GLU A 68 3.952 14.002 20.976 1.00 10.44 C ATOM 847 O GLU A 68 4.994 13.336 20.936 1.00 11.92 O ATOM 848 CB GLU A 68 1.880 13.268 22.169 1.00 13.02 C ATOM 849 CG GLU A 68 2.206 11.793 21.953 1.00 15.52 C ATOM 850 CD GLU A 68 0.983 10.931 21.779 1.00 23.96 C ATOM 851 OE1 GLU A 68 0.353 11.026 20.713 1.00 23.57 O ATOM 852 OE2 GLU A 68 0.663 10.158 22.707 1.00 23.26 O ATOM 853 HA GLU A 68 3.736 13.744 23.097 1.00 0.00 H ATOM 854 HB2 GLU A 68 1.314 13.373 23.095 1.00 0.00 H ATOM 855 HB3 GLU A 68 1.276 13.622 21.333 1.00 0.00 H ATOM 856 HG2 GLU A 68 2.823 11.702 21.059 1.00 0.00 H ATOM 857 HG3 GLU A 68 2.764 11.432 22.817 1.00 0.00 H ATOM 858 H GLU A 68 1.850 15.817 22.644 1.00 0.00 H ATOM 859 N ILE A 69 3.474 14.651 19.923 1.00 12.59 N ATOM 860 CA ILE A 69 4.154 14.597 18.628 1.00 11.80 C ATOM 861 C ILE A 69 5.609 15.063 18.735 1.00 14.22 C ATOM 862 O ILE A 69 6.507 14.490 18.106 1.00 14.45 O ATOM 863 CB ILE A 69 3.389 15.406 17.568 1.00 13.57 C ATOM 864 CG1 ILE A 69 2.041 14.738 17.287 1.00 17.69 C ATOM 865 CG2 ILE A 69 4.191 15.504 16.267 1.00 19.17 C ATOM 866 CD1 ILE A 69 1.100 15.595 16.471 1.00 27.66 C ATOM 867 HA ILE A 69 4.169 13.555 18.309 1.00 0.00 H ATOM 868 HB ILE A 69 3.231 16.413 17.953 1.00 0.00 H ATOM 869 HG12 ILE A 69 2.222 13.811 16.744 1.00 0.00 H ATOM 870 HG13 ILE A 69 1.563 14.512 18.240 1.00 0.00 H ATOM 871 HD11 ILE A 69 0.899 16.523 17.006 1.00 0.00 H ATOM 872 HD12 ILE A 69 1.559 15.821 15.509 1.00 0.00 H ATOM 873 HD13 ILE A 69 0.166 15.056 16.312 1.00 0.00 H ATOM 874 HG21 ILE A 69 5.143 15.998 16.465 1.00 0.00 H ATOM 875 HG22 ILE A 69 4.374 14.502 15.878 1.00 0.00 H ATOM 876 HG23 ILE A 69 3.626 16.082 15.536 1.00 0.00 H ATOM 877 H ILE A 69 2.601 15.208 20.019 1.00 0.00 H ATOM 878 N ALA A 70 5.840 16.098 19.538 1.00 9.36 N ATOM 879 CA ALA A 70 7.182 16.661 19.721 1.00 7.82 C ATOM 880 C ALA A 70 8.103 15.777 20.554 1.00 10.10 C ATOM 881 O ALA A 70 9.319 15.985 20.555 1.00 12.53 O ATOM 882 CB ALA A 70 7.085 18.026 20.336 1.00 10.24 C ATOM 883 HA ALA A 70 7.630 16.725 18.729 1.00 0.00 H ATOM 884 HB1 ALA A 70 6.508 18.678 19.681 1.00 0.00 H ATOM 885 HB2 ALA A 70 6.591 17.952 21.305 1.00 0.00 H ATOM 886 HB3 ALA A 70 8.086 18.436 20.468 1.00 0.00 H ATOM 887 H ALA A 70 5.042 16.522 20.053 1.00 0.00 H ATOM 888 N GLY A 71 7.540 14.810 21.275 1.00 9.99 N ATOM 889 CA GLY A 71 8.339 13.907 22.086 1.00 9.49 C ATOM 890 C GLY A 71 8.300 14.158 23.587 1.00 8.26 C ATOM 891 O GLY A 71 9.049 13.536 24.343 1.00 11.08 O ATOM 892 HA3 GLY A 71 9.375 13.991 21.759 1.00 0.00 H ATOM 893 HA2 GLY A 71 7.984 12.892 21.907 1.00 0.00 H ATOM 894 H GLY A 71 6.506 14.698 21.257 1.00 0.00 H ATOM 895 N LEU A 72 7.413 15.044 24.038 1.00 8.50 N ATOM 896 CA LEU A 72 7.284 15.275 25.473 1.00 10.47 C ATOM 897 C LEU A 72 6.657 14.055 26.165 1.00 11.28 C ATOM 898 O LEU A 72 5.763 13.396 25.618 1.00 13.58 O ATOM 899 CB LEU A 72 6.457 16.533 25.744 1.00 12.10 C ATOM 900 CG LEU A 72 6.615 17.220 27.095 1.00 9.46 C ATOM 901 CD1 LEU A 72 8.031 17.822 27.251 1.00 8.73 C ATOM 902 CD2 LEU A 72 5.518 18.291 27.217 1.00 10.86 C ATOM 903 HA LEU A 72 8.282 15.426 25.886 1.00 0.00 H ATOM 904 HB2 LEU A 72 6.717 17.263 24.977 1.00 0.00 H ATOM 905 HB3 LEU A 72 5.407 16.259 25.641 1.00 0.00 H ATOM 906 HG LEU A 72 6.502 16.495 27.901 1.00 0.00 H ATOM 907 HD21 LEU A 72 5.629 19.016 26.411 1.00 0.00 H ATOM 908 HD22 LEU A 72 4.539 17.816 27.148 1.00 0.00 H ATOM 909 HD23 LEU A 72 5.611 18.797 28.178 1.00 0.00 H ATOM 910 HD11 LEU A 72 8.773 17.027 27.174 1.00 0.00 H ATOM 911 HD12 LEU A 72 8.201 18.556 26.464 1.00 0.00 H ATOM 912 HD13 LEU A 72 8.114 18.305 28.224 1.00 0.00 H ATOM 913 H LEU A 72 6.814 15.569 23.369 1.00 0.00 H ATOM 914 N GLN A 73 7.111 13.769 27.383 1.00 10.91 N ATOM 915 CA GLN A 73 6.628 12.604 28.126 1.00 11.49 C ATOM 916 C GLN A 73 6.212 12.992 29.542 1.00 11.11 C ATOM 917 O GLN A 73 6.790 13.920 30.130 1.00 11.07 O ATOM 918 CB GLN A 73 7.699 11.504 28.181 1.00 12.76 C ATOM 919 CG GLN A 73 8.037 10.894 26.831 1.00 15.34 C ATOM 920 CD GLN A 73 9.002 9.736 26.963 1.00 21.32 C ATOM 921 OE1 GLN A 73 9.110 9.130 28.029 1.00 31.95 O ATOM 922 NE2 GLN A 73 9.705 9.419 25.885 1.00 20.71 N ATOM 923 HA GLN A 73 5.756 12.218 27.599 1.00 0.00 H ATOM 924 HB2 GLN A 73 8.609 11.934 28.600 1.00 0.00 H ATOM 925 HB3 GLN A 73 7.340 10.709 28.835 1.00 0.00 H ATOM 926 HG2 GLN A 73 7.119 10.537 26.365 1.00 0.00 H ATOM 927 HG3 GLN A 73 8.489 11.660 26.201 1.00 0.00 H ATOM 928 HE22 GLN A 73 9.580 9.960 25.005 1.00 0.00 H ATOM 929 HE21 GLN A 73 10.381 8.630 25.919 1.00 0.00 H ATOM 930 H GLN A 73 7.826 14.388 27.817 1.00 0.00 H ATOM 931 N ILE A 74 5.207 12.294 30.079 1.00 11.44 N ATOM 932 CA ILE A 74 4.784 12.517 31.458 1.00 11.42 C ATOM 933 C ILE A 74 5.985 12.363 32.392 1.00 14.54 C ATOM 934 O ILE A 74 6.786 11.438 32.244 1.00 16.33 O ATOM 935 CB ILE A 74 3.615 11.591 31.877 1.00 20.26 C ATOM 936 CG1 ILE A 74 3.152 11.934 33.291 1.00 17.60 C ATOM 937 CG2 ILE A 74 4.008 10.121 31.780 1.00 20.94 C ATOM 938 CD1 ILE A 74 1.808 11.326 33.675 1.00 27.32 C ATOM 939 HA ILE A 74 4.401 13.535 31.534 1.00 0.00 H ATOM 940 HB ILE A 74 2.788 11.756 31.187 1.00 0.00 H ATOM 941 HG12 ILE A 74 3.903 11.574 33.994 1.00 0.00 H ATOM 942 HG13 ILE A 74 3.072 13.018 33.371 1.00 0.00 H ATOM 943 HD11 ILE A 74 1.039 11.685 32.991 1.00 0.00 H ATOM 944 HD12 ILE A 74 1.871 10.240 33.614 1.00 0.00 H ATOM 945 HD13 ILE A 74 1.556 11.620 34.694 1.00 0.00 H ATOM 946 HG21 ILE A 74 4.284 9.887 30.752 1.00 0.00 H ATOM 947 HG22 ILE A 74 4.856 9.929 32.438 1.00 0.00 H ATOM 948 HG23 ILE A 74 3.164 9.500 32.081 1.00 0.00 H ATOM 949 H ILE A 74 4.717 11.579 29.504 1.00 0.00 H ATOM 950 N GLY A 75 6.128 13.318 33.303 1.00 12.01 N ATOM 951 CA GLY A 75 7.188 13.291 34.288 1.00 13.51 C ATOM 952 C GLY A 75 8.409 14.108 33.914 1.00 11.72 C ATOM 953 O GLY A 75 9.308 14.302 34.738 1.00 13.72 O ATOM 954 HA3 GLY A 75 7.499 12.256 34.427 1.00 0.00 H ATOM 955 HA2 GLY A 75 6.792 13.679 35.227 1.00 0.00 H ATOM 956 H GLY A 75 5.456 14.112 33.309 1.00 0.00 H ATOM 957 N ASP A 76 8.459 14.596 32.674 1.00 11.90 N ATOM 958 CA ASP A 76 9.593 15.419 32.251 1.00 9.65 C ATOM 959 C ASP A 76 9.666 16.678 33.104 1.00 12.71 C ATOM 960 O ASP A 76 8.646 17.280 33.401 1.00 10.80 O ATOM 961 CB ASP A 76 9.456 15.842 30.781 1.00 9.11 C ATOM 962 CG ASP A 76 9.756 14.727 29.791 1.00 10.66 C ATOM 963 OD1 ASP A 76 10.245 13.644 30.184 1.00 12.72 O ATOM 964 OD2 ASP A 76 9.497 14.963 28.587 1.00 10.75 O ATOM 965 HA ASP A 76 10.496 14.821 32.370 1.00 0.00 H ATOM 966 HB2 ASP A 76 8.434 16.184 30.615 1.00 0.00 H ATOM 967 HB3 ASP A 76 10.147 16.664 30.594 1.00 0.00 H ATOM 968 H ASP A 76 7.689 14.391 32.005 1.00 0.00 H ATOM 969 N LYS A 77 10.874 17.085 33.492 1.00 8.83 N ATOM 970 CA LYS A 77 11.078 18.365 34.165 1.00 10.60 C ATOM 971 C LYS A 77 11.434 19.449 33.153 1.00 12.16 C ATOM 972 O LYS A 77 12.381 19.287 32.383 1.00 11.46 O ATOM 973 CB LYS A 77 12.192 18.268 35.220 1.00 10.36 C ATOM 974 CG LYS A 77 12.455 19.597 35.913 1.00 11.10 C ATOM 975 CD LYS A 77 13.461 19.482 37.062 1.00 14.86 C ATOM 976 CE LYS A 77 13.656 20.836 37.726 1.00 15.50 C ATOM 977 NZ LYS A 77 14.494 20.782 38.956 1.00 20.96 N ATOM 978 HA LYS A 77 10.145 18.626 34.665 1.00 0.00 H ATOM 979 HB2 LYS A 77 11.900 17.534 35.971 1.00 0.00 H ATOM 980 HB3 LYS A 77 13.110 17.941 34.731 1.00 0.00 H ATOM 981 HG2 LYS A 77 12.845 20.301 35.178 1.00 0.00 H ATOM 982 HG3 LYS A 77 11.513 19.974 36.312 1.00 0.00 H ATOM 983 HD2 LYS A 77 13.088 18.770 37.798 1.00 0.00 H ATOM 984 HD3 LYS A 77 14.416 19.131 36.671 1.00 0.00 H ATOM 985 HE2 LYS A 77 12.677 21.233 37.993 1.00 0.00 H ATOM 986 HE3 LYS A 77 14.135 21.505 37.011 1.00 0.00 H ATOM 987 HZ1 LYS A 77 14.044 20.155 39.653 1.00 0.00 H ATOM 988 HZ2 LYS A 77 15.437 20.415 38.716 1.00 0.00 H ATOM 989 HZ3 LYS A 77 14.584 21.738 39.355 1.00 0.00 H ATOM 990 H LYS A 77 11.695 16.473 33.310 1.00 0.00 H ATOM 991 N ILE A 78 10.679 20.545 33.139 1.00 12.28 N ATOM 992 CA ILE A 78 10.926 21.629 32.176 1.00 9.36 C ATOM 993 C ILE A 78 11.956 22.615 32.718 1.00 10.49 C ATOM 994 O ILE A 78 11.727 23.296 33.713 1.00 13.58 O ATOM 995 CB ILE A 78 9.633 22.368 31.783 1.00 9.23 C ATOM 996 CG1 ILE A 78 8.628 21.377 31.202 1.00 10.52 C ATOM 997 CG2 ILE A 78 9.954 23.460 30.772 1.00 11.16 C ATOM 998 CD1 ILE A 78 7.255 21.987 30.929 1.00 11.84 C ATOM 999 HA ILE A 78 11.323 21.164 31.274 1.00 0.00 H ATOM 1000 HB ILE A 78 9.194 22.829 32.668 1.00 0.00 H ATOM 1001 HG12 ILE A 78 9.027 20.992 30.264 1.00 0.00 H ATOM 1002 HG13 ILE A 78 8.506 20.556 31.908 1.00 0.00 H ATOM 1003 HD11 ILE A 78 6.836 22.368 31.861 1.00 0.00 H ATOM 1004 HD12 ILE A 78 7.357 22.804 30.215 1.00 0.00 H ATOM 1005 HD13 ILE A 78 6.595 21.223 30.518 1.00 0.00 H ATOM 1006 HG21 ILE A 78 10.656 24.168 31.214 1.00 0.00 H ATOM 1007 HG22 ILE A 78 10.399 23.012 29.884 1.00 0.00 H ATOM 1008 HG23 ILE A 78 9.036 23.980 30.497 1.00 0.00 H ATOM 1009 H ILE A 78 9.900 20.637 33.822 1.00 0.00 H ATOM 1010 N MET A 79 13.107 22.661 32.056 1.00 9.58 N ATOM 1011 CA MET A 79 14.220 23.507 32.482 1.00 13.22 C ATOM 1012 C MET A 79 14.181 24.896 31.851 1.00 9.63 C ATOM 1013 O MET A 79 14.512 25.895 32.500 1.00 12.45 O ATOM 1014 CB MET A 79 15.544 22.828 32.125 1.00 14.36 C ATOM 1015 CG MET A 79 15.700 21.430 32.695 1.00 11.45 C ATOM 1016 SD MET A 79 15.731 21.433 34.490 1.00 15.78 S ATOM 1017 CE MET A 79 17.346 22.139 34.771 1.00 13.97 C ATOM 1018 HA MET A 79 14.130 23.636 33.561 1.00 0.00 H ATOM 1019 HB2 MET A 79 15.614 22.764 31.039 1.00 0.00 H ATOM 1020 HB3 MET A 79 16.358 23.445 32.505 1.00 0.00 H ATOM 1021 HG2 MET A 79 16.633 21.002 32.328 1.00 0.00 H ATOM 1022 HG3 MET A 79 14.864 20.817 32.359 1.00 0.00 H ATOM 1023 HE1 MET A 79 18.104 21.502 34.316 1.00 0.00 H ATOM 1024 HE2 MET A 79 17.389 23.133 34.325 1.00 0.00 H ATOM 1025 HE3 MET A 79 17.528 22.212 35.843 1.00 0.00 H ATOM 1026 H MET A 79 13.220 22.074 31.205 1.00 0.00 H ATOM 1027 N GLN A 80 13.783 24.959 30.588 1.00 10.51 N ATOM 1028 CA GLN A 80 13.758 26.213 29.843 1.00 12.20 C ATOM 1029 C GLN A 80 12.662 26.172 28.792 1.00 10.44 C ATOM 1030 O GLN A 80 12.385 25.114 28.228 1.00 11.40 O ATOM 1031 CB GLN A 80 15.088 26.453 29.111 1.00 15.64 C ATOM 1032 CG GLN A 80 16.269 26.779 29.994 1.00 23.15 C ATOM 1033 CD GLN A 80 17.408 27.425 29.216 1.00 25.33 C ATOM 1034 OE1 GLN A 80 17.453 27.360 27.985 1.00 33.52 O ATOM 1035 NE2 GLN A 80 18.327 28.060 29.933 1.00 59.07 N ATOM 1036 HA GLN A 80 13.582 27.013 30.563 1.00 0.00 H ATOM 1037 HB2 GLN A 80 15.329 25.551 28.548 1.00 0.00 H ATOM 1038 HB3 GLN A 80 14.946 27.284 28.420 1.00 0.00 H ATOM 1039 HG2 GLN A 80 15.944 27.465 30.776 1.00 0.00 H ATOM 1040 HG3 GLN A 80 16.632 25.858 30.449 1.00 0.00 H ATOM 1041 HE22 GLN A 80 18.249 28.089 30.970 1.00 0.00 H ATOM 1042 HE21 GLN A 80 19.125 28.528 29.458 1.00 0.00 H ATOM 1043 H GLN A 80 13.479 24.086 30.113 1.00 0.00 H ATOM 1044 N VAL A 81 12.058 27.327 28.523 1.00 14.03 N ATOM 1045 CA VAL A 81 11.149 27.491 27.390 1.00 15.03 C ATOM 1046 C VAL A 81 11.628 28.668 26.551 1.00 17.80 C ATOM 1047 O VAL A 81 11.698 29.795 27.041 1.00 17.07 O ATOM 1048 CB VAL A 81 9.711 27.732 27.854 1.00 18.27 C ATOM 1049 CG1 VAL A 81 8.818 28.053 26.661 1.00 16.92 C ATOM 1050 CG2 VAL A 81 9.208 26.506 28.603 1.00 20.37 C ATOM 1051 HA VAL A 81 11.153 26.575 26.800 1.00 0.00 H ATOM 1052 HB VAL A 81 9.684 28.587 28.529 1.00 0.00 H ATOM 1053 HG11 VAL A 81 9.187 28.950 26.163 1.00 0.00 H ATOM 1054 HG12 VAL A 81 8.832 27.216 25.963 1.00 0.00 H ATOM 1055 HG13 VAL A 81 7.798 28.222 27.007 1.00 0.00 H ATOM 1056 HG21 VAL A 81 9.237 25.640 27.941 1.00 0.00 H ATOM 1057 HG22 VAL A 81 9.845 26.324 29.469 1.00 0.00 H ATOM 1058 HG23 VAL A 81 8.184 26.678 28.933 1.00 0.00 H ATOM 1059 H VAL A 81 12.239 28.143 29.142 1.00 0.00 H ATOM 1060 N ASN A 82 11.988 28.398 25.299 1.00 15.78 N ATOM 1061 CA ASN A 82 12.501 29.428 24.408 1.00 15.22 C ATOM 1062 C ASN A 82 13.602 30.244 25.074 1.00 26.16 C ATOM 1063 O ASN A 82 13.672 31.464 24.922 1.00 24.52 O ATOM 1064 CB ASN A 82 11.367 30.329 23.908 1.00 21.56 C ATOM 1065 CG ASN A 82 10.640 29.737 22.717 1.00 20.71 C ATOM 1066 OD1 ASN A 82 11.004 28.674 22.226 1.00 20.35 O ATOM 1067 ND2 ASN A 82 9.603 30.423 22.251 1.00 33.72 N ATOM 1068 HA ASN A 82 12.943 28.931 23.544 1.00 0.00 H ATOM 1069 HB2 ASN A 82 10.652 30.474 24.718 1.00 0.00 H ATOM 1070 HB3 ASN A 82 11.787 31.292 23.619 1.00 0.00 H ATOM 1071 HD22 ASN A 82 9.330 31.321 22.699 1.00 0.00 H ATOM 1072 HD21 ASN A 82 9.064 30.062 21.438 1.00 0.00 H ATOM 1073 H ASN A 82 11.900 27.423 24.947 1.00 0.00 H ATOM 1074 N GLY A 83 14.456 29.553 25.820 1.00 20.13 N ATOM 1075 CA GLY A 83 15.608 30.181 26.441 1.00 25.58 C ATOM 1076 C GLY A 83 15.347 30.828 27.786 1.00 21.94 C ATOM 1077 O GLY A 83 16.280 31.321 28.423 1.00 26.16 O ATOM 1078 HA3 GLY A 83 15.979 30.950 25.763 1.00 0.00 H ATOM 1079 HA2 GLY A 83 16.375 29.418 26.577 1.00 0.00 H ATOM 1080 H GLY A 83 14.295 28.535 25.963 1.00 0.00 H ATOM 1081 N TRP A 84 14.089 30.834 28.220 1.00 18.51 N ATOM 1082 CA TRP A 84 13.719 31.406 29.512 1.00 18.44 C ATOM 1083 C TRP A 84 13.780 30.341 30.595 1.00 21.38 C ATOM 1084 O TRP A 84 13.179 29.279 30.465 1.00 17.81 O ATOM 1085 CB TRP A 84 12.317 32.018 29.462 1.00 26.28 C ATOM 1086 CG TRP A 84 12.242 33.245 28.630 1.00 44.12 C ATOM 1087 CD1 TRP A 84 11.995 33.314 27.290 1.00 52.36 C ATOM 1088 CD2 TRP A 84 12.426 34.592 29.074 1.00 37.48 C ATOM 1089 NE1 TRP A 84 12.007 34.622 26.872 1.00 67.60 N ATOM 1090 CE2 TRP A 84 12.271 35.428 27.949 1.00 65.42 C ATOM 1091 CE3 TRP A 84 12.705 35.174 30.315 1.00 42.50 C ATOM 1092 CZ2 TRP A 84 12.385 36.814 28.027 1.00 67.64 C ATOM 1093 CZ3 TRP A 84 12.818 36.552 30.391 1.00 62.92 C ATOM 1094 CH2 TRP A 84 12.658 37.356 29.254 1.00 63.56 C ATOM 1095 HA TRP A 84 14.431 32.198 29.746 1.00 0.00 H ATOM 1096 HB2 TRP A 84 11.631 31.278 29.051 1.00 0.00 H ATOM 1097 HB3 TRP A 84 12.012 32.269 30.478 1.00 0.00 H ATOM 1098 HE1 TRP A 84 11.843 34.948 25.898 1.00 0.00 H ATOM 1099 HD1 TRP A 84 11.814 32.455 26.644 1.00 0.00 H ATOM 1100 HZ2 TRP A 84 12.262 37.443 27.145 1.00 0.00 H ATOM 1101 HH2 TRP A 84 12.753 38.438 29.349 1.00 0.00 H ATOM 1102 HZ3 TRP A 84 13.035 37.020 31.351 1.00 0.00 H ATOM 1103 HE3 TRP A 84 12.831 34.556 31.204 1.00 0.00 H ATOM 1104 H TRP A 84 13.347 30.419 27.621 1.00 0.00 H ATOM 1105 N ASP A 85 14.512 30.631 31.665 1.00 19.62 N ATOM 1106 CA ASP A 85 14.693 29.693 32.771 1.00 17.35 C ATOM 1107 C ASP A 85 13.376 29.383 33.473 1.00 21.62 C ATOM 1108 O ASP A 85 12.655 30.296 33.874 1.00 28.25 O ATOM 1109 CB ASP A 85 15.688 30.283 33.776 1.00 21.39 C ATOM 1110 CG ASP A 85 16.131 29.283 34.835 1.00 34.16 C ATOM 1111 OD1 ASP A 85 15.478 28.236 35.004 1.00 31.92 O ATOM 1112 OD2 ASP A 85 17.146 29.556 35.510 1.00 49.82 O ATOM 1113 HA ASP A 85 15.077 28.758 32.363 1.00 0.00 H ATOM 1114 HB2 ASP A 85 16.568 30.626 33.232 1.00 0.00 H ATOM 1115 HB3 ASP A 85 15.217 31.130 34.274 1.00 0.00 H ATOM 1116 H ASP A 85 14.974 31.561 31.718 1.00 0.00 H ATOM 1117 N MET A 86 13.074 28.095 33.627 1.00 14.82 N ATOM 1118 CA MET A 86 11.846 27.664 34.283 1.00 12.23 C ATOM 1119 C MET A 86 12.048 26.987 35.646 1.00 17.18 C ATOM 1120 O MET A 86 11.091 26.469 36.225 1.00 23.25 O ATOM 1121 CB MET A 86 11.089 26.710 33.355 1.00 15.31 C ATOM 1122 CG MET A 86 10.682 27.338 32.036 1.00 14.76 C ATOM 1123 SD MET A 86 9.097 28.202 32.141 1.00 19.07 S ATOM 1124 CE MET A 86 7.979 26.803 32.198 1.00 19.79 C ATOM 1125 HA MET A 86 11.278 28.573 34.482 1.00 0.00 H ATOM 1126 HB2 MET A 86 11.729 25.853 33.145 1.00 0.00 H ATOM 1127 HB3 MET A 86 10.189 26.372 33.868 1.00 0.00 H ATOM 1128 HG2 MET A 86 10.603 26.553 31.284 1.00 0.00 H ATOM 1129 HG3 MET A 86 11.450 28.051 31.736 1.00 0.00 H ATOM 1130 HE1 MET A 86 8.099 26.207 31.293 1.00 0.00 H ATOM 1131 HE2 MET A 86 8.208 26.192 33.071 1.00 0.00 H ATOM 1132 HE3 MET A 86 6.952 27.163 32.264 1.00 0.00 H ATOM 1133 H MET A 86 13.734 27.376 33.269 1.00 0.00 H ATOM 1134 N THR A 87 13.280 26.987 36.146 1.00 21.84 N ATOM 1135 CA THR A 87 13.616 26.264 37.379 1.00 26.07 C ATOM 1136 C THR A 87 13.237 27.006 38.664 1.00 36.16 C ATOM 1137 O THR A 87 13.119 26.398 39.725 1.00 30.78 O ATOM 1138 CB THR A 87 15.125 25.930 37.456 1.00 23.02 C ATOM 1139 OG1 THR A 87 15.875 27.148 37.487 1.00 24.01 O ATOM 1140 CG2 THR A 87 15.570 25.090 36.268 1.00 25.20 C ATOM 1141 HA THR A 87 13.019 25.354 37.320 1.00 0.00 H ATOM 1142 HB THR A 87 15.303 25.352 38.363 1.00 0.00 H ATOM 1143 HG1 THR A 87 15.691 27.669 36.665 1.00 0.00 H ATOM 1144 HG23 THR A 87 14.998 24.163 36.246 1.00 0.00 H ATOM 1145 HG21 THR A 87 15.398 25.646 35.347 1.00 0.00 H ATOM 1146 HG22 THR A 87 16.631 24.861 36.364 1.00 0.00 H ATOM 1147 H THR A 87 14.027 27.514 35.650 1.00 0.00 H ATOM 1148 N MET A 88 13.063 28.318 38.576 1.00 20.83 N ATOM 1149 CA MET A 88 12.726 29.108 39.755 1.00 28.97 C ATOM 1150 C MET A 88 11.568 30.063 39.521 1.00 26.80 C ATOM 1151 O MET A 88 11.626 31.222 39.927 1.00 29.82 O ATOM 1152 CB MET A 88 13.937 29.908 40.226 1.00 38.06 C ATOM 1153 CG MET A 88 15.072 29.083 40.771 1.00 47.79 C ATOM 1154 SD MET A 88 16.556 30.100 40.843 1.00 56.78 S ATOM 1155 CE MET A 88 16.648 30.677 39.144 1.00 57.37 C ATOM 1156 HA MET A 88 12.419 28.394 40.519 1.00 0.00 H ATOM 1157 HB2 MET A 88 14.313 30.483 39.380 1.00 0.00 H ATOM 1158 HB3 MET A 88 13.608 30.590 41.010 1.00 0.00 H ATOM 1159 HG2 MET A 88 15.247 28.227 40.120 1.00 0.00 H ATOM 1160 HG3 MET A 88 14.821 28.732 41.772 1.00 0.00 H ATOM 1161 HE1 MET A 88 16.736 29.821 38.475 1.00 0.00 H ATOM 1162 HE2 MET A 88 15.745 31.237 38.902 1.00 0.00 H ATOM 1163 HE3 MET A 88 17.519 31.322 39.027 1.00 0.00 H ATOM 1164 H MET A 88 13.168 28.789 37.655 1.00 0.00 H ATOM 1165 N VAL A 89 10.517 29.580 38.868 1.00 21.75 N ATOM 1166 CA VAL A 89 9.342 30.405 38.620 1.00 19.66 C ATOM 1167 C VAL A 89 8.130 29.870 39.373 1.00 19.64 C ATOM 1168 O VAL A 89 8.113 28.720 39.802 1.00 20.11 O ATOM 1169 CB VAL A 89 9.012 30.490 37.116 1.00 18.45 C ATOM 1170 CG1 VAL A 89 10.165 31.129 36.351 1.00 21.25 C ATOM 1171 CG2 VAL A 89 8.695 29.104 36.561 1.00 16.39 C ATOM 1172 HA VAL A 89 9.578 31.406 38.981 1.00 0.00 H ATOM 1173 HB VAL A 89 8.131 31.119 36.989 1.00 0.00 H ATOM 1174 HG11 VAL A 89 10.340 32.135 36.733 1.00 0.00 H ATOM 1175 HG12 VAL A 89 11.064 30.528 36.483 1.00 0.00 H ATOM 1176 HG13 VAL A 89 9.913 31.180 35.292 1.00 0.00 H ATOM 1177 HG21 VAL A 89 9.558 28.453 36.699 1.00 0.00 H ATOM 1178 HG22 VAL A 89 7.837 28.690 37.090 1.00 0.00 H ATOM 1179 HG23 VAL A 89 8.465 29.183 35.499 1.00 0.00 H ATOM 1180 H VAL A 89 10.533 28.597 38.528 1.00 0.00 H ATOM 1181 N THR A 90 7.122 30.714 39.549 1.00 18.34 N ATOM 1182 CA THR A 90 5.874 30.270 40.148 1.00 17.52 C ATOM 1183 C THR A 90 5.107 29.435 39.131 1.00 16.94 C ATOM 1184 O THR A 90 5.418 29.455 37.931 1.00 16.55 O ATOM 1185 CB THR A 90 4.994 31.455 40.570 1.00 22.20 C ATOM 1186 OG1 THR A 90 4.637 32.218 39.410 1.00 25.88 O ATOM 1187 CG2 THR A 90 5.726 32.355 41.566 1.00 24.28 C ATOM 1188 HA THR A 90 6.115 29.686 41.036 1.00 0.00 H ATOM 1189 HB THR A 90 4.098 31.066 41.053 1.00 0.00 H ATOM 1190 HG1 THR A 90 4.069 32.982 39.681 1.00 0.00 H ATOM 1191 HG23 THR A 90 5.997 31.774 42.448 1.00 0.00 H ATOM 1192 HG21 THR A 90 6.628 32.753 41.100 1.00 0.00 H ATOM 1193 HG22 THR A 90 5.073 33.178 41.858 1.00 0.00 H ATOM 1194 H THR A 90 7.226 31.706 39.255 1.00 0.00 H ATOM 1195 N HIS A 91 4.086 28.727 39.605 1.00 16.42 N ATOM 1196 CA HIS A 91 3.245 27.921 38.730 1.00 15.69 C ATOM 1197 C HIS A 91 2.621 28.785 37.633 1.00 15.34 C ATOM 1198 O HIS A 91 2.640 28.425 36.448 1.00 14.70 O ATOM 1199 CB HIS A 91 2.141 27.235 39.531 1.00 16.40 C ATOM 1200 CG HIS A 91 1.328 26.284 38.727 1.00 14.04 C ATOM 1201 ND1 HIS A 91 1.688 24.958 38.539 1.00 14.01 N ATOM 1202 CD2 HIS A 91 0.180 26.451 38.030 1.00 14.50 C ATOM 1203 CE1 HIS A 91 0.803 24.367 37.771 1.00 14.62 C ATOM 1204 NE2 HIS A 91 -0.135 25.250 37.449 1.00 14.96 N ATOM 1205 HA HIS A 91 3.874 27.161 38.266 1.00 0.00 H ATOM 1206 HB2 HIS A 91 2.601 26.687 40.353 1.00 0.00 H ATOM 1207 HB3 HIS A 91 1.479 28.002 39.933 1.00 0.00 H ATOM 1208 HD2 HIS A 91 -0.392 27.375 37.946 1.00 0.00 H ATOM 1209 HE1 HIS A 91 0.833 23.325 37.451 1.00 0.00 H ATOM 1210 H HIS A 91 3.883 28.749 40.625 1.00 0.00 H ATOM 1211 N ASP A 92 2.081 29.935 38.022 1.00 16.03 N ATOM 1212 CA ASP A 92 1.426 30.819 37.057 1.00 19.35 C ATOM 1213 C ASP A 92 2.414 31.407 36.039 1.00 18.08 C ATOM 1214 O ASP A 92 2.097 31.535 34.853 1.00 19.57 O ATOM 1215 CB ASP A 92 0.677 31.941 37.779 1.00 23.93 C ATOM 1216 CG ASP A 92 -0.274 32.687 36.866 1.00 31.72 C ATOM 1217 OD1 ASP A 92 -1.118 32.032 36.220 1.00 32.58 O ATOM 1218 OD2 ASP A 92 -0.177 33.930 36.793 1.00 39.22 O ATOM 1219 HA ASP A 92 0.712 30.211 36.501 1.00 0.00 H ATOM 1220 HB2 ASP A 92 0.106 31.508 38.600 1.00 0.00 H ATOM 1221 HB3 ASP A 92 1.405 32.647 38.178 1.00 0.00 H ATOM 1222 H ASP A 92 2.124 30.210 39.024 1.00 0.00 H ATOM 1223 N GLN A 93 3.606 31.770 36.503 1.00 17.26 N ATOM 1224 CA GLN A 93 4.641 32.291 35.612 1.00 16.03 C ATOM 1225 C GLN A 93 4.987 31.261 34.545 1.00 14.85 C ATOM 1226 O GLN A 93 5.158 31.603 33.373 1.00 14.81 O ATOM 1227 CB GLN A 93 5.896 32.684 36.403 1.00 20.53 C ATOM 1228 CG GLN A 93 5.809 34.042 37.094 1.00 23.23 C ATOM 1229 CD GLN A 93 6.964 34.287 38.048 1.00 26.71 C ATOM 1230 OE1 GLN A 93 7.585 33.348 38.544 1.00 27.46 O ATOM 1231 NE2 GLN A 93 7.252 35.556 38.320 1.00 30.62 N ATOM 1232 HA GLN A 93 4.253 33.185 35.124 1.00 0.00 H ATOM 1233 HB2 GLN A 93 6.070 31.924 37.165 1.00 0.00 H ATOM 1234 HB3 GLN A 93 6.740 32.706 35.714 1.00 0.00 H ATOM 1235 HG2 GLN A 93 5.813 34.822 36.333 1.00 0.00 H ATOM 1236 HG3 GLN A 93 4.876 34.089 37.656 1.00 0.00 H ATOM 1237 HE22 GLN A 93 6.702 36.320 37.879 1.00 0.00 H ATOM 1238 HE21 GLN A 93 8.028 35.785 38.974 1.00 0.00 H ATOM 1239 H GLN A 93 3.806 31.682 37.520 1.00 0.00 H ATOM 1240 N ALA A 94 5.075 29.999 34.951 1.00 14.38 N ATOM 1241 CA ALA A 94 5.339 28.904 34.015 1.00 13.91 C ATOM 1242 C ALA A 94 4.213 28.767 32.989 1.00 11.76 C ATOM 1243 O ALA A 94 4.455 28.668 31.781 1.00 14.84 O ATOM 1244 CB ALA A 94 5.524 27.597 34.773 1.00 14.40 C ATOM 1245 HA ALA A 94 6.258 29.136 33.476 1.00 0.00 H ATOM 1246 HB1 ALA A 94 6.366 27.692 35.458 1.00 0.00 H ATOM 1247 HB2 ALA A 94 4.618 27.374 35.337 1.00 0.00 H ATOM 1248 HB3 ALA A 94 5.719 26.792 34.064 1.00 0.00 H ATOM 1249 H ALA A 94 4.953 29.783 35.961 1.00 0.00 H ATOM 1250 N ARG A 95 2.978 28.752 33.476 1.00 13.07 N ATOM 1251 CA ARG A 95 1.812 28.696 32.601 1.00 15.43 C ATOM 1252 C ARG A 95 1.849 29.815 31.566 1.00 16.35 C ATOM 1253 O ARG A 95 1.660 29.568 30.371 1.00 17.90 O ATOM 1254 CB ARG A 95 0.524 28.785 33.425 1.00 19.12 C ATOM 1255 CG ARG A 95 -0.747 28.688 32.603 1.00 23.02 C ATOM 1256 CD ARG A 95 -1.974 28.967 33.450 1.00 27.30 C ATOM 1257 NE ARG A 95 -1.996 30.347 33.927 1.00 29.17 N ATOM 1258 CZ ARG A 95 -2.491 31.372 33.236 1.00 35.84 C ATOM 1259 NH1 ARG A 95 -3.008 31.179 32.030 1.00 36.02 N ATOM 1260 NH2 ARG A 95 -2.469 32.595 33.751 1.00 40.48 N ATOM 1261 HA ARG A 95 1.832 27.742 32.074 1.00 0.00 H ATOM 1262 HB2 ARG A 95 0.525 27.972 34.151 1.00 0.00 H ATOM 1263 HB3 ARG A 95 0.519 29.740 33.951 1.00 0.00 H ATOM 1264 HG2 ARG A 95 -0.702 29.415 31.792 1.00 0.00 H ATOM 1265 HG3 ARG A 95 -0.824 27.684 32.185 1.00 0.00 H ATOM 1266 HD2 ARG A 95 -1.971 28.296 34.309 1.00 0.00 H ATOM 1267 HD3 ARG A 95 -2.866 28.785 32.851 1.00 0.00 H ATOM 1268 HE ARG A 95 -1.599 30.542 34.868 1.00 0.00 H ATOM 1269 HH12 ARG A 95 -3.393 31.983 31.495 1.00 0.00 H ATOM 1270 HH11 ARG A 95 -3.028 30.224 31.620 1.00 0.00 H ATOM 1271 HH22 ARG A 95 -2.856 33.394 33.210 1.00 0.00 H ATOM 1272 HH21 ARG A 95 -2.065 32.754 34.696 1.00 0.00 H ATOM 1273 H ARG A 95 2.838 28.781 34.506 1.00 0.00 H ATOM 1274 N LYS A 96 2.104 31.040 32.018 1.00 15.19 N ATOM 1275 CA LYS A 96 2.154 32.193 31.115 1.00 18.37 C ATOM 1276 C LYS A 96 3.273 32.092 30.081 1.00 17.90 C ATOM 1277 O LYS A 96 3.082 32.439 28.913 1.00 18.57 O ATOM 1278 CB LYS A 96 2.296 33.498 31.904 1.00 23.24 C ATOM 1279 CG LYS A 96 1.086 33.865 32.747 1.00 29.12 C ATOM 1280 CD LYS A 96 1.299 35.203 33.442 1.00 34.80 C ATOM 1281 CE LYS A 96 0.072 35.634 34.226 1.00 39.17 C ATOM 1282 NZ LYS A 96 -1.068 35.986 33.331 1.00 42.67 N ATOM 1283 HA LYS A 96 1.209 32.194 30.572 1.00 0.00 H ATOM 1284 HB2 LYS A 96 3.156 33.402 32.567 1.00 0.00 H ATOM 1285 HB3 LYS A 96 2.474 34.306 31.195 1.00 0.00 H ATOM 1286 HG2 LYS A 96 0.208 33.931 32.104 1.00 0.00 H ATOM 1287 HG3 LYS A 96 0.926 33.092 33.499 1.00 0.00 H ATOM 1288 HD2 LYS A 96 2.142 35.115 34.127 1.00 0.00 H ATOM 1289 HD3 LYS A 96 1.521 35.960 32.690 1.00 0.00 H ATOM 1290 HE2 LYS A 96 0.328 36.505 34.830 1.00 0.00 H ATOM 1291 HE3 LYS A 96 -0.233 34.817 34.880 1.00 0.00 H ATOM 1292 HZ1 LYS A 96 -0.788 36.770 32.708 1.00 0.00 H ATOM 1293 HZ2 LYS A 96 -1.324 35.158 32.756 1.00 0.00 H ATOM 1294 HZ3 LYS A 96 -1.884 36.274 33.908 1.00 0.00 H ATOM 1295 H LYS A 96 2.272 31.182 33.034 1.00 0.00 H ATOM 1296 N ARG A 97 4.442 31.627 30.504 1.00 15.22 N ATOM 1297 CA ARG A 97 5.577 31.511 29.585 1.00 14.83 C ATOM 1298 C ARG A 97 5.282 30.518 28.474 1.00 15.08 C ATOM 1299 O ARG A 97 5.643 30.731 27.319 1.00 15.70 O ATOM 1300 CB ARG A 97 6.846 31.069 30.311 1.00 16.63 C ATOM 1301 CG ARG A 97 8.069 31.152 29.428 1.00 20.42 C ATOM 1302 CD ARG A 97 8.191 32.567 28.873 1.00 27.52 C ATOM 1303 NE ARG A 97 9.171 32.698 27.799 1.00 29.90 N ATOM 1304 CZ ARG A 97 8.903 32.510 26.508 1.00 29.36 C ATOM 1305 NH1 ARG A 97 7.685 32.161 26.118 1.00 21.54 N ATOM 1306 NH2 ARG A 97 9.858 32.665 25.604 1.00 31.83 N ATOM 1307 HA ARG A 97 5.735 32.502 29.159 1.00 0.00 H ATOM 1308 HB2 ARG A 97 6.996 31.711 31.179 1.00 0.00 H ATOM 1309 HB3 ARG A 97 6.721 30.038 30.641 1.00 0.00 H ATOM 1310 HG2 ARG A 97 8.958 30.911 30.012 1.00 0.00 H ATOM 1311 HG3 ARG A 97 7.973 30.444 28.605 1.00 0.00 H ATOM 1312 HD2 ARG A 97 8.482 33.231 29.687 1.00 0.00 H ATOM 1313 HD3 ARG A 97 7.217 32.870 28.489 1.00 0.00 H ATOM 1314 HE ARG A 97 10.144 32.956 28.060 1.00 0.00 H ATOM 1315 HH12 ARG A 97 7.484 32.016 25.108 1.00 0.00 H ATOM 1316 HH11 ARG A 97 6.931 32.032 26.822 1.00 0.00 H ATOM 1317 HH22 ARG A 97 9.649 32.518 24.596 1.00 0.00 H ATOM 1318 HH21 ARG A 97 10.818 32.934 25.902 1.00 0.00 H ATOM 1319 H ARG A 97 4.553 31.342 31.498 1.00 0.00 H ATOM 1320 N LEU A 98 4.613 29.431 28.827 1.00 12.83 N ATOM 1321 CA LEU A 98 4.300 28.390 27.852 1.00 13.04 C ATOM 1322 C LEU A 98 3.150 28.745 26.913 1.00 11.90 C ATOM 1323 O LEU A 98 3.015 28.131 25.861 1.00 13.73 O ATOM 1324 CB LEU A 98 3.995 27.074 28.570 1.00 11.26 C ATOM 1325 CG LEU A 98 5.234 26.379 29.143 1.00 9.46 C ATOM 1326 CD1 LEU A 98 4.820 25.419 30.256 1.00 12.31 C ATOM 1327 CD2 LEU A 98 5.990 25.658 28.040 1.00 12.55 C ATOM 1328 HA LEU A 98 5.186 28.288 27.226 1.00 0.00 H ATOM 1329 HB2 LEU A 98 3.307 27.281 29.390 1.00 0.00 H ATOM 1330 HB3 LEU A 98 3.519 26.398 27.860 1.00 0.00 H ATOM 1331 HG LEU A 98 5.904 27.126 29.570 1.00 0.00 H ATOM 1332 HD21 LEU A 98 5.340 24.911 27.584 1.00 0.00 H ATOM 1333 HD22 LEU A 98 6.302 26.379 27.284 1.00 0.00 H ATOM 1334 HD23 LEU A 98 6.868 25.169 28.463 1.00 0.00 H ATOM 1335 HD11 LEU A 98 4.320 25.977 31.048 1.00 0.00 H ATOM 1336 HD12 LEU A 98 4.139 24.669 29.853 1.00 0.00 H ATOM 1337 HD13 LEU A 98 5.706 24.928 30.659 1.00 0.00 H ATOM 1338 H LEU A 98 4.306 29.317 29.814 1.00 0.00 H ATOM 1339 N THR A 99 2.332 29.730 27.287 1.00 12.72 N ATOM 1340 CA THR A 99 1.087 30.002 26.563 1.00 14.94 C ATOM 1341 C THR A 99 0.973 31.412 25.989 1.00 17.84 C ATOM 1342 O THR A 99 -0.125 31.952 25.870 1.00 21.36 O ATOM 1343 CB THR A 99 -0.164 29.688 27.420 1.00 15.02 C ATOM 1344 OG1 THR A 99 -0.149 30.455 28.635 1.00 18.52 O ATOM 1345 CG2 THR A 99 -0.208 28.211 27.758 1.00 16.10 C ATOM 1346 HA THR A 99 1.129 29.323 25.711 1.00 0.00 H ATOM 1347 HB THR A 99 -1.049 29.955 26.842 1.00 0.00 H ATOM 1348 HG1 THR A 99 0.662 30.230 29.156 1.00 0.00 H ATOM 1349 HG23 THR A 99 -0.219 27.629 26.837 1.00 0.00 H ATOM 1350 HG21 THR A 99 0.672 27.948 28.345 1.00 0.00 H ATOM 1351 HG22 THR A 99 -1.108 27.998 28.335 1.00 0.00 H ATOM 1352 H THR A 99 2.583 30.317 28.108 1.00 0.00 H ATOM 1353 N LYS A 100 2.100 32.007 25.620 1.00 18.82 N ATOM 1354 CA LYS A 100 2.065 33.303 24.960 1.00 20.79 C ATOM 1355 C LYS A 100 1.382 33.163 23.603 1.00 20.93 C ATOM 1356 O LYS A 100 1.825 32.395 22.756 1.00 18.73 O ATOM 1357 CB LYS A 100 3.478 33.870 24.822 1.00 23.26 C ATOM 1358 CG LYS A 100 4.141 34.097 26.169 1.00 26.70 C ATOM 1359 CD LYS A 100 5.564 34.594 26.025 1.00 30.43 C ATOM 1360 CE LYS A 100 5.623 35.918 25.297 1.00 33.76 C ATOM 1361 NZ LYS A 100 7.041 36.306 25.048 1.00 35.78 N ATOM 1362 HA LYS A 100 1.490 34.005 25.564 1.00 0.00 H ATOM 1363 HB2 LYS A 100 4.083 33.169 24.247 1.00 0.00 H ATOM 1364 HB3 LYS A 100 3.424 34.821 24.292 1.00 0.00 H ATOM 1365 HG2 LYS A 100 3.564 34.836 26.725 1.00 0.00 H ATOM 1366 HG3 LYS A 100 4.151 33.156 26.720 1.00 0.00 H ATOM 1367 HD2 LYS A 100 5.998 34.717 27.017 1.00 0.00 H ATOM 1368 HD3 LYS A 100 6.141 33.857 25.466 1.00 0.00 H ATOM 1369 HE2 LYS A 100 5.141 36.685 25.904 1.00 0.00 H ATOM 1370 HE3 LYS A 100 5.101 35.829 24.344 1.00 0.00 H ATOM 1371 HZ1 LYS A 100 7.540 36.394 25.956 1.00 0.00 H ATOM 1372 HZ2 LYS A 100 7.502 35.577 24.467 1.00 0.00 H ATOM 1373 HZ3 LYS A 100 7.067 37.217 24.547 1.00 0.00 H ATOM 1374 H LYS A 100 3.013 31.544 25.804 1.00 0.00 H ATOM 1375 N ARG A 101 0.285 33.884 23.410 1.00 22.87 N ATOM 1376 CA ARG A 101 -0.494 33.742 22.184 1.00 26.13 C ATOM 1377 C ARG A 101 0.282 34.117 20.923 1.00 22.94 C ATOM 1378 O ARG A 101 -0.079 33.693 19.827 1.00 26.66 O ATOM 1379 CB ARG A 101 -1.798 34.540 22.265 1.00 33.41 C ATOM 1380 CG ARG A 101 -1.621 35.961 22.757 1.00 42.47 C ATOM 1381 CD ARG A 101 -2.688 36.875 22.178 1.00 50.01 C ATOM 1382 NE ARG A 101 -2.268 38.273 22.203 1.00 55.93 N ATOM 1383 CZ ARG A 101 -1.206 38.740 21.553 1.00 59.94 C ATOM 1384 NH1 ARG A 101 -0.889 40.027 21.623 1.00 60.91 N ATOM 1385 NH2 ARG A 101 -0.455 37.916 20.837 1.00 61.49 N ATOM 1386 HA ARG A 101 -0.727 32.681 22.101 1.00 0.00 H ATOM 1387 HB2 ARG A 101 -2.242 34.574 21.270 1.00 0.00 H ATOM 1388 HB3 ARG A 101 -2.475 34.023 22.945 1.00 0.00 H ATOM 1389 HG2 ARG A 101 -1.693 35.973 23.845 1.00 0.00 H ATOM 1390 HG3 ARG A 101 -0.638 36.323 22.455 1.00 0.00 H ATOM 1391 HD2 ARG A 101 -3.601 36.769 22.764 1.00 0.00 H ATOM 1392 HD3 ARG A 101 -2.883 36.582 21.146 1.00 0.00 H ATOM 1393 HE ARG A 101 -2.833 38.943 22.762 1.00 0.00 H ATOM 1394 HH12 ARG A 101 -0.057 40.386 21.112 1.00 0.00 H ATOM 1395 HH11 ARG A 101 -1.472 40.676 22.188 1.00 0.00 H ATOM 1396 HH22 ARG A 101 0.376 38.279 20.328 1.00 0.00 H ATOM 1397 HH21 ARG A 101 -0.696 36.906 20.784 1.00 0.00 H ATOM 1398 H ARG A 101 -0.023 34.558 24.140 1.00 0.00 H ATOM 1399 N SER A 102 1.348 34.896 21.077 1.00 20.61 N ATOM 1400 CA SER A 102 2.157 35.329 19.932 1.00 19.45 C ATOM 1401 C SER A 102 3.138 34.259 19.465 1.00 17.58 C ATOM 1402 O SER A 102 3.732 34.372 18.393 1.00 16.54 O ATOM 1403 CB SER A 102 2.925 36.599 20.287 1.00 21.75 C ATOM 1404 OG SER A 102 3.712 36.384 21.445 1.00 24.85 O ATOM 1405 HA SER A 102 1.466 35.520 19.111 1.00 0.00 H ATOM 1406 HB2 SER A 102 2.218 37.407 20.476 1.00 0.00 H ATOM 1407 HB3 SER A 102 3.574 36.873 19.455 1.00 0.00 H ATOM 1408 HG SER A 102 3.123 36.137 22.202 1.00 0.00 H ATOM 1409 H SER A 102 1.615 35.206 22.033 1.00 0.00 H ATOM 1410 N GLU A 103 3.316 33.221 20.273 1.00 17.17 N ATOM 1411 CA GLU A 103 4.308 32.195 19.974 1.00 15.14 C ATOM 1412 C GLU A 103 3.668 30.890 19.525 1.00 14.60 C ATOM 1413 O GLU A 103 3.044 30.192 20.315 1.00 16.23 O ATOM 1414 CB GLU A 103 5.211 31.957 21.193 1.00 12.79 C ATOM 1415 CG GLU A 103 6.022 33.191 21.581 1.00 16.57 C ATOM 1416 CD GLU A 103 6.983 32.961 22.739 1.00 20.09 C ATOM 1417 OE1 GLU A 103 6.795 31.998 23.516 1.00 18.62 O ATOM 1418 OE2 GLU A 103 7.935 33.760 22.871 1.00 27.64 O ATOM 1419 HA GLU A 103 4.913 32.560 19.144 1.00 0.00 H ATOM 1420 HB2 GLU A 103 4.586 31.671 22.039 1.00 0.00 H ATOM 1421 HB3 GLU A 103 5.901 31.145 20.962 1.00 0.00 H ATOM 1422 HG2 GLU A 103 6.600 33.508 20.713 1.00 0.00 H ATOM 1423 HG3 GLU A 103 5.328 33.983 21.863 1.00 0.00 H ATOM 1424 H GLU A 103 2.738 33.138 21.134 1.00 0.00 H ATOM 1425 N GLU A 104 3.845 30.552 18.254 1.00 11.91 N ATOM 1426 CA GLU A 104 3.320 29.297 17.734 1.00 13.72 C ATOM 1427 C GLU A 104 4.283 28.135 17.943 1.00 11.01 C ATOM 1428 O GLU A 104 3.872 26.991 18.050 1.00 14.29 O ATOM 1429 CB GLU A 104 2.947 29.442 16.256 1.00 15.25 C ATOM 1430 CG GLU A 104 2.441 28.164 15.613 1.00 23.16 C ATOM 1431 CD GLU A 104 1.669 28.437 14.338 1.00 30.14 C ATOM 1432 OE1 GLU A 104 1.216 29.591 14.151 1.00 32.44 O ATOM 1433 OE2 GLU A 104 1.518 27.505 13.518 1.00 34.17 O ATOM 1434 HA GLU A 104 2.419 29.064 18.301 1.00 0.00 H ATOM 1435 HB2 GLU A 104 2.167 30.199 16.173 1.00 0.00 H ATOM 1436 HB3 GLU A 104 3.831 29.772 15.711 1.00 0.00 H ATOM 1437 HG2 GLU A 104 3.293 27.526 15.379 1.00 0.00 H ATOM 1438 HG3 GLU A 104 1.787 27.650 16.318 1.00 0.00 H ATOM 1439 H GLU A 104 4.366 31.192 17.621 1.00 0.00 H ATOM 1440 N VAL A 105 5.573 28.437 17.995 1.00 11.73 N ATOM 1441 CA VAL A 105 6.583 27.406 18.202 1.00 13.36 C ATOM 1442 C VAL A 105 7.342 27.653 19.496 1.00 13.58 C ATOM 1443 O VAL A 105 7.936 28.719 19.679 1.00 17.94 O ATOM 1444 CB VAL A 105 7.583 27.349 17.015 1.00 15.62 C ATOM 1445 CG1 VAL A 105 8.640 26.271 17.241 1.00 16.50 C ATOM 1446 CG2 VAL A 105 6.834 27.114 15.706 1.00 17.93 C ATOM 1447 HA VAL A 105 6.065 26.449 18.265 1.00 0.00 H ATOM 1448 HB VAL A 105 8.098 28.308 16.951 1.00 0.00 H ATOM 1449 HG11 VAL A 105 9.193 26.492 18.154 1.00 0.00 H ATOM 1450 HG12 VAL A 105 8.153 25.300 17.335 1.00 0.00 H ATOM 1451 HG13 VAL A 105 9.326 26.254 16.394 1.00 0.00 H ATOM 1452 HG21 VAL A 105 6.293 26.170 15.763 1.00 0.00 H ATOM 1453 HG22 VAL A 105 6.129 27.929 15.541 1.00 0.00 H ATOM 1454 HG23 VAL A 105 7.547 27.076 14.883 1.00 0.00 H ATOM 1455 H VAL A 105 5.870 29.428 17.886 1.00 0.00 H ATOM 1456 N VAL A 106 7.310 26.678 20.402 1.00 13.27 N ATOM 1457 CA VAL A 106 8.066 26.781 21.643 1.00 13.28 C ATOM 1458 C VAL A 106 9.016 25.611 21.809 1.00 10.49 C ATOM 1459 O VAL A 106 8.639 24.443 21.659 1.00 14.85 O ATOM 1460 CB VAL A 106 7.168 26.912 22.905 1.00 17.60 C ATOM 1461 CG1 VAL A 106 6.537 28.298 22.983 1.00 21.70 C ATOM 1462 CG2 VAL A 106 6.116 25.817 22.956 1.00 16.63 C ATOM 1463 HA VAL A 106 8.639 27.705 21.558 1.00 0.00 H ATOM 1464 HB VAL A 106 7.805 26.787 23.781 1.00 0.00 H ATOM 1465 HG11 VAL A 106 7.323 29.051 23.032 1.00 0.00 H ATOM 1466 HG12 VAL A 106 5.924 28.467 22.097 1.00 0.00 H ATOM 1467 HG13 VAL A 106 5.914 28.362 23.875 1.00 0.00 H ATOM 1468 HG21 VAL A 106 5.482 25.883 22.072 1.00 0.00 H ATOM 1469 HG22 VAL A 106 6.607 24.844 22.981 1.00 0.00 H ATOM 1470 HG23 VAL A 106 5.507 25.941 23.852 1.00 0.00 H ATOM 1471 H VAL A 106 6.736 25.830 20.221 1.00 0.00 H ATOM 1472 N ARG A 107 10.271 25.939 22.089 1.00 10.64 N ATOM 1473 CA ARG A 107 11.290 24.932 22.309 1.00 10.55 C ATOM 1474 C ARG A 107 11.468 24.703 23.798 1.00 11.46 C ATOM 1475 O ARG A 107 11.708 25.645 24.557 1.00 15.37 O ATOM 1476 CB ARG A 107 12.603 25.360 21.657 1.00 12.11 C ATOM 1477 CG ARG A 107 12.539 25.291 20.137 1.00 13.95 C ATOM 1478 CD ARG A 107 13.835 25.750 19.508 1.00 16.16 C ATOM 1479 NE ARG A 107 13.899 25.403 18.094 1.00 17.25 N ATOM 1480 CZ ARG A 107 13.373 26.131 17.111 1.00 17.31 C ATOM 1481 NH1 ARG A 107 12.733 27.259 17.385 1.00 18.85 N ATOM 1482 NH2 ARG A 107 13.495 25.729 15.849 1.00 18.93 N ATOM 1483 HA ARG A 107 10.978 23.994 21.850 1.00 0.00 H ATOM 1484 HB2 ARG A 107 12.825 26.385 21.953 1.00 0.00 H ATOM 1485 HB3 ARG A 107 13.399 24.702 22.005 1.00 0.00 H ATOM 1486 HG2 ARG A 107 12.344 24.262 19.836 1.00 0.00 H ATOM 1487 HG3 ARG A 107 11.729 25.930 19.787 1.00 0.00 H ATOM 1488 HD2 ARG A 107 14.668 25.275 20.027 1.00 0.00 H ATOM 1489 HD3 ARG A 107 13.914 26.832 19.611 1.00 0.00 H ATOM 1490 HE ARG A 107 14.391 24.524 17.834 1.00 0.00 H ATOM 1491 HH12 ARG A 107 12.324 27.825 16.614 1.00 0.00 H ATOM 1492 HH11 ARG A 107 12.640 27.578 18.370 1.00 0.00 H ATOM 1493 HH22 ARG A 107 13.085 26.297 15.080 1.00 0.00 H ATOM 1494 HH21 ARG A 107 14.001 24.847 15.631 1.00 0.00 H ATOM 1495 H ARG A 107 10.530 26.944 22.152 1.00 0.00 H ATOM 1496 N LEU A 108 11.349 23.446 24.210 1.00 8.51 N ATOM 1497 CA LEU A 108 11.514 23.087 25.611 1.00 8.37 C ATOM 1498 C LEU A 108 12.780 22.303 25.834 1.00 8.80 C ATOM 1499 O LEU A 108 13.055 21.322 25.141 1.00 10.81 O ATOM 1500 CB LEU A 108 10.319 22.274 26.123 1.00 9.86 C ATOM 1501 CG LEU A 108 9.025 23.022 26.457 1.00 14.01 C ATOM 1502 CD1 LEU A 108 8.480 23.809 25.276 1.00 14.60 C ATOM 1503 CD2 LEU A 108 7.973 22.066 26.987 1.00 12.60 C ATOM 1504 HA LEU A 108 11.574 24.021 26.169 1.00 0.00 H ATOM 1505 HB2 LEU A 108 10.078 21.536 25.358 1.00 0.00 H ATOM 1506 HB3 LEU A 108 10.641 21.763 27.030 1.00 0.00 H ATOM 1507 HG LEU A 108 9.274 23.745 27.234 1.00 0.00 H ATOM 1508 HD21 LEU A 108 7.758 21.310 26.232 1.00 0.00 H ATOM 1509 HD22 LEU A 108 8.345 21.584 27.891 1.00 0.00 H ATOM 1510 HD23 LEU A 108 7.063 22.620 27.217 1.00 0.00 H ATOM 1511 HD11 LEU A 108 9.219 24.545 24.959 1.00 0.00 H ATOM 1512 HD12 LEU A 108 8.269 23.127 24.453 1.00 0.00 H ATOM 1513 HD13 LEU A 108 7.563 24.318 25.572 1.00 0.00 H ATOM 1514 H LEU A 108 11.133 22.702 23.516 1.00 0.00 H ATOM 1515 N LEU A 109 13.547 22.748 26.813 1.00 10.34 N ATOM 1516 CA LEU A 109 14.672 21.991 27.315 1.00 10.59 C ATOM 1517 C LEU A 109 14.168 21.260 28.547 1.00 9.23 C ATOM 1518 O LEU A 109 13.702 21.889 29.494 1.00 10.35 O ATOM 1519 CB LEU A 109 15.797 22.948 27.691 1.00 12.74 C ATOM 1520 CG LEU A 109 17.060 22.323 28.265 1.00 14.37 C ATOM 1521 CD1 LEU A 109 17.634 21.352 27.247 1.00 16.44 C ATOM 1522 CD2 LEU A 109 18.084 23.402 28.640 1.00 16.28 C ATOM 1523 HA LEU A 109 15.060 21.292 26.574 1.00 0.00 H ATOM 1524 HB2 LEU A 109 16.078 23.497 26.793 1.00 0.00 H ATOM 1525 HB3 LEU A 109 15.405 23.644 28.433 1.00 0.00 H ATOM 1526 HG LEU A 109 16.815 21.782 29.179 1.00 0.00 H ATOM 1527 HD21 LEU A 109 18.349 23.974 27.751 1.00 0.00 H ATOM 1528 HD22 LEU A 109 17.651 24.068 29.387 1.00 0.00 H ATOM 1529 HD23 LEU A 109 18.977 22.928 29.048 1.00 0.00 H ATOM 1530 HD11 LEU A 109 16.900 20.574 27.035 1.00 0.00 H ATOM 1531 HD12 LEU A 109 17.872 21.889 26.329 1.00 0.00 H ATOM 1532 HD13 LEU A 109 18.540 20.899 27.650 1.00 0.00 H ATOM 1533 H LEU A 109 13.335 23.674 27.237 1.00 0.00 H ATOM 1534 N VAL A 110 14.217 19.934 28.524 1.00 8.67 N ATOM 1535 CA VAL A 110 13.725 19.148 29.655 1.00 11.03 C ATOM 1536 C VAL A 110 14.762 18.127 30.110 1.00 10.77 C ATOM 1537 O VAL A 110 15.745 17.843 29.407 1.00 11.94 O ATOM 1538 CB VAL A 110 12.406 18.382 29.324 1.00 11.67 C ATOM 1539 CG1 VAL A 110 11.387 19.304 28.670 1.00 9.48 C ATOM 1540 CG2 VAL A 110 12.672 17.157 28.437 1.00 12.31 C ATOM 1541 HA VAL A 110 13.527 19.868 30.449 1.00 0.00 H ATOM 1542 HB VAL A 110 11.992 18.027 30.268 1.00 0.00 H ATOM 1543 HG11 VAL A 110 11.154 20.125 29.348 1.00 0.00 H ATOM 1544 HG12 VAL A 110 11.801 19.703 27.744 1.00 0.00 H ATOM 1545 HG13 VAL A 110 10.479 18.743 28.451 1.00 0.00 H ATOM 1546 HG21 VAL A 110 13.128 17.480 27.501 1.00 0.00 H ATOM 1547 HG22 VAL A 110 13.346 16.475 28.955 1.00 0.00 H ATOM 1548 HG23 VAL A 110 11.730 16.650 28.228 1.00 0.00 H ATOM 1549 H VAL A 110 14.610 19.448 27.692 1.00 0.00 H ATOM 1550 N THR A 111 14.546 17.579 31.302 1.00 11.91 N ATOM 1551 CA THR A 111 15.314 16.418 31.733 1.00 13.47 C ATOM 1552 C THR A 111 14.350 15.284 32.028 1.00 12.69 C ATOM 1553 O THR A 111 13.211 15.514 32.446 1.00 12.93 O ATOM 1554 CB THR A 111 16.237 16.703 32.936 1.00 13.56 C ATOM 1555 OG1 THR A 111 15.461 17.150 34.053 1.00 14.65 O ATOM 1556 CG2 THR A 111 17.259 17.771 32.572 1.00 15.31 C ATOM 1557 HA THR A 111 15.988 16.138 30.923 1.00 0.00 H ATOM 1558 HB THR A 111 16.758 15.783 33.201 1.00 0.00 H ATOM 1559 HG1 THR A 111 14.808 16.449 34.302 1.00 0.00 H ATOM 1560 HG23 THR A 111 17.850 17.431 31.722 1.00 0.00 H ATOM 1561 HG21 THR A 111 16.741 18.694 32.311 1.00 0.00 H ATOM 1562 HG22 THR A 111 17.915 17.950 33.424 1.00 0.00 H ATOM 1563 H THR A 111 13.823 17.982 31.932 1.00 0.00 H ATOM 1564 N ARG A 112 14.808 14.067 31.769 1.00 15.67 N ATOM 1565 CA ARG A 112 13.970 12.879 31.797 1.00 15.23 C ATOM 1566 C ARG A 112 14.695 11.755 32.521 1.00 16.02 C ATOM 1567 O ARG A 112 15.843 11.457 32.215 1.00 16.85 O ATOM 1568 CB ARG A 112 13.657 12.451 30.362 1.00 15.80 C ATOM 1569 CG ARG A 112 12.819 11.196 30.234 1.00 16.20 C ATOM 1570 CD ARG A 112 12.404 10.990 28.784 1.00 15.12 C ATOM 1571 NE ARG A 112 11.686 12.155 28.256 1.00 14.82 N ATOM 1572 CZ ARG A 112 11.616 12.475 26.965 1.00 17.51 C ATOM 1573 NH1 ARG A 112 12.244 11.736 26.049 1.00 17.69 N ATOM 1574 NH2 ARG A 112 10.938 13.552 26.591 1.00 15.70 N ATOM 1575 HA ARG A 112 13.042 13.100 32.324 1.00 0.00 H ATOM 1576 HB2 ARG A 112 13.121 13.266 29.875 1.00 0.00 H ATOM 1577 HB3 ARG A 112 14.602 12.280 29.847 1.00 0.00 H ATOM 1578 HG2 ARG A 112 13.402 10.337 30.568 1.00 0.00 H ATOM 1579 HG3 ARG A 112 11.928 11.292 30.854 1.00 0.00 H ATOM 1580 HD2 ARG A 112 11.755 10.117 28.722 1.00 0.00 H ATOM 1581 HD3 ARG A 112 13.296 10.821 28.181 1.00 0.00 H ATOM 1582 HE ARG A 112 11.199 12.773 28.936 1.00 0.00 H ATOM 1583 HH12 ARG A 112 12.184 11.993 25.043 1.00 0.00 H ATOM 1584 HH11 ARG A 112 12.794 10.903 26.341 1.00 0.00 H ATOM 1585 HH22 ARG A 112 10.880 13.806 25.584 1.00 0.00 H ATOM 1586 HH21 ARG A 112 10.464 14.142 27.305 1.00 0.00 H ATOM 1587 H ARG A 112 15.815 13.957 31.535 1.00 0.00 H ATOM 1588 N GLN A 113 14.022 11.130 33.480 1.00 20.95 N ATOM 1589 CA GLN A 113 14.630 10.059 34.270 1.00 24.63 C ATOM 1590 C GLN A 113 14.685 8.745 33.496 1.00 29.84 C ATOM 1591 O GLN A 113 13.728 8.377 32.812 1.00 35.16 O ATOM 1592 CB GLN A 113 13.874 9.881 35.591 1.00 30.51 C ATOM 1593 CG GLN A 113 13.923 11.122 36.479 1.00 33.63 C ATOM 1594 CD GLN A 113 12.880 11.107 37.589 1.00 37.11 C ATOM 1595 OE1 GLN A 113 11.976 11.952 37.623 1.00 37.45 O ATOM 1596 NE2 GLN A 113 13.004 10.153 38.504 1.00 37.20 N ATOM 1597 HA GLN A 113 15.658 10.348 34.488 1.00 0.00 H ATOM 1598 HB2 GLN A 113 12.832 9.655 35.367 1.00 0.00 H ATOM 1599 HB3 GLN A 113 14.317 9.047 36.135 1.00 0.00 H ATOM 1600 HG2 GLN A 113 14.912 11.185 36.933 1.00 0.00 H ATOM 1601 HG3 GLN A 113 13.754 12.001 35.856 1.00 0.00 H ATOM 1602 HE22 GLN A 113 13.780 9.464 38.435 1.00 0.00 H ATOM 1603 HE21 GLN A 113 12.325 10.095 39.290 1.00 0.00 H ATOM 1604 H GLN A 113 13.039 11.408 33.674 1.00 0.00 H TER 1605 GLN A 113 HETATM 1606 O HOH 1 4.390 19.664 18.003 1.00 11.34 O HETATM 1607 O HOH 2 9.536 11.633 31.830 1.00 15.32 O HETATM 1608 O HOH 3 0.084 16.241 23.292 1.00 10.94 O HETATM 1609 O HOH 4 21.927 14.258 28.693 1.00 12.01 O HETATM 1610 O HOH 5 9.054 17.585 44.177 1.00 17.81 O HETATM 1611 O HOH 6 4.734 30.506 24.654 1.00 16.13 O HETATM 1612 O HOH 7 18.915 24.729 32.073 1.00 18.82 O HETATM 1613 O HOH 8 11.394 23.657 36.395 1.00 14.99 O HETATM 1614 O HOH 9 -0.234 29.461 23.632 1.00 17.82 O HETATM 1615 O HOH 10 -3.721 11.903 28.803 1.00 20.35 O HETATM 1616 O HOH 11 8.011 20.278 41.596 1.00 14.68 O HETATM 1617 O HOH 12 21.244 18.874 24.562 1.00 19.48 O HETATM 1618 O HOH 13 14.579 26.137 25.477 1.00 18.15 O HETATM 1619 O HOH 14 -5.059 11.604 26.019 1.00 22.69 O HETATM 1620 O HOH 15 -2.460 16.933 35.338 1.00 16.08 O HETATM 1621 O HOH 16 20.840 14.073 25.910 1.00 18.60 O HETATM 1622 O HOH 17 3.967 10.328 28.387 1.00 23.82 O HETATM 1623 O HOH 18 7.175 23.303 44.516 1.00 19.80 O HETATM 1624 O HOH 19 3.983 11.332 25.767 1.00 26.22 O HETATM 1625 O HOH 20 11.959 13.874 35.356 1.00 20.69 O HETATM 1626 O HOH 21 14.306 22.482 21.869 1.00 24.37 O HETATM 1627 O HOH 22 -0.895 11.562 30.138 1.00 25.02 O HETATM 1628 O HOH 23 20.925 25.488 26.952 1.00 24.04 O HETATM 1629 O HOH 24 -0.004 15.321 43.827 1.00 26.91 O HETATM 1630 O HOH 25 2.229 19.582 16.264 1.00 24.59 O HETATM 1631 O HOH 26 -2.913 24.862 14.164 1.00 25.22 O HETATM 1632 O HOH 27 0.437 30.355 11.453 1.00 23.69 O HETATM 1633 O HOH 28 19.264 21.340 37.835 1.00 25.92 O HETATM 1634 O HOH 29 -3.533 32.664 12.704 1.00 27.91 O HETATM 1635 O HOH 30 10.228 18.943 50.407 1.00 22.70 O HETATM 1636 O HOH 31 14.416 14.780 35.235 1.00 24.43 O HETATM 1637 O HOH 32 -0.208 34.365 17.329 1.00 25.72 O HETATM 1638 O HOH 33 11.254 11.521 33.993 1.00 20.95 O HETATM 1639 O HOH 34 -2.452 17.294 17.669 1.00 26.38 O HETATM 1640 O HOH 35 1.162 30.660 40.689 1.00 20.74 O HETATM 1641 O HOH 36 9.713 9.322 30.696 1.00 27.13 O HETATM 1642 O HOH 37 10.043 26.659 39.051 1.00 28.90 O HETATM 1643 O HOH 38 3.040 34.255 39.933 1.00 31.41 O HETATM 1644 O HOH 39 -4.323 18.001 22.492 1.00 24.37 O HETATM 1645 O HOH 40 15.475 23.589 23.849 1.00 30.94 O HETATM 1646 O HOH 41 2.036 35.178 37.443 1.00 36.17 O HETATM 1647 O HOH 42 0.852 34.329 28.481 1.00 26.68 O HETATM 1648 O HOH 43 13.834 23.496 40.078 1.00 28.71 O HETATM 1649 O HOH 44 13.658 14.827 39.318 1.00 36.82 O HETATM 1650 O HOH 45 17.342 26.484 33.205 1.00 27.66 O HETATM 1651 O HOH 46 13.800 30.269 36.729 1.00 31.33 O HETATM 1652 O HOH 47 15.610 33.363 32.061 1.00 31.83 O HETATM 1653 O HOH 48 17.164 19.557 37.909 1.00 25.09 O HETATM 1654 O HOH 49 13.596 32.751 36.920 1.00 45.14 O HETATM 1655 O HOH 50 5.645 35.395 30.048 1.00 38.34 O HETATM 1656 O HOH 51 -7.437 17.230 36.017 1.00 29.04 O HETATM 1657 O HOH 52 15.899 9.825 28.172 1.00 32.38 O HETATM 1658 O HOH 53 0.306 21.312 15.649 1.00 29.74 O HETATM 1659 O HOH 54 16.168 19.660 44.833 1.00 40.39 O HETATM 1660 O HOH 55 -6.499 13.403 22.483 1.00 36.16 O HETATM 1661 O HOH 56 2.377 26.226 48.833 1.00 33.89 O HETATM 1662 O HOH 57 11.631 21.258 50.570 1.00 32.40 O HETATM 1663 O HOH 58 1.348 36.864 23.316 1.00 42.53 O HETATM 1664 O HOH 59 6.886 13.578 49.694 1.00 27.30 O HETATM 1665 O HOH 60 -1.921 10.570 32.432 1.00 29.58 O HETATM 1666 O HOH 61 9.618 28.953 47.579 1.00 38.08 O HETATM 1667 O HOH 62 13.792 9.163 26.421 1.00 30.99 O HETATM 1668 O HOH 63 22.544 10.892 31.246 1.00 33.79 O HETATM 1669 O HOH 64 5.854 34.369 32.967 1.00 33.65 O HETATM 1670 O HOH 65 18.865 26.288 25.576 1.00 28.12 O HETATM 1671 O HOH 66 19.956 28.993 27.434 1.00 41.78 O HETATM 1672 O HOH 67 -0.790 23.300 13.842 1.00 35.23 O HETATM 1673 O HOH 68 -3.616 29.070 25.277 1.00 29.52 O HETATM 1674 O HOH 69 3.949 24.862 12.919 1.00 33.64 O HETATM 1675 O HOH 70 8.994 9.925 35.602 1.00 38.13 O HETATM 1676 O HOH 71 15.465 18.361 19.422 1.00 43.14 O HETATM 1677 O HOH 72 19.240 17.061 24.324 1.00 24.48 O HETATM 1678 O HOH 73 14.212 15.914 41.599 1.00 28.69 O HETATM 1679 O HOH 74 19.010 16.840 21.683 1.00 37.98 O HETATM 1680 O HOH 75 -1.350 28.843 40.519 1.00 39.11 O HETATM 1681 O HOH 76 0.804 20.939 51.044 1.00 36.87 O HETATM 1682 O HOH 77 14.231 20.108 16.072 1.00 34.85 O HETATM 1683 O HOH 78 13.371 33.182 34.096 1.00 38.93 O HETATM 1684 O HOH 79 -2.788 14.618 36.193 1.00 49.49 O HETATM 1685 O HOH 80 7.156 10.881 48.783 1.00 33.35 O HETATM 1686 O HOH 81 13.738 22.230 13.658 1.00 33.18 O HETATM 1687 O HOH 82 3.409 38.174 23.248 1.00 45.32 O HETATM 1688 O HOH 83 5.600 11.145 45.892 1.00 45.23 O HETATM 1689 O HOH 84 4.066 13.200 46.792 1.00 36.29 O HETATM 1690 O HOH 85 -1.321 25.889 45.735 1.00 35.17 O HETATM 1691 O HOH 86 12.836 28.767 19.930 1.00 40.74 O HETATM 1692 O HOH 87 2.852 36.289 29.585 1.00 42.26 O HETATM 1693 O HOH 88 17.290 9.307 44.857 1.00 43.11 O HETATM 1694 O HOH 89 14.718 22.851 17.694 1.00 27.63 O HETATM 1695 O HOH 90 15.404 13.810 37.646 1.00 35.40 O HETATM 1696 O HOH 91 3.378 35.660 42.055 1.00 45.36 O HETATM 1697 O HOH 92 -0.875 8.129 33.060 1.00 38.21 O HETATM 1698 O HOH 93 -4.625 24.258 12.348 1.00 34.81 O HETATM 1699 O HOH 94 12.054 9.754 40.962 1.00 47.58 O HETATM 1700 O HOH 95 -1.377 28.606 43.913 1.00 42.36 O HETATM 1701 O HOH 96 -1.835 20.465 51.551 1.00 48.20 O HETATM 1702 O HOH 97 -0.744 19.004 15.974 1.00 34.84 O HETATM 1703 O HOH 98 19.038 24.527 37.603 1.00 38.19 O HETATM 1704 O HOH 99 -5.045 17.385 19.802 1.00 35.40 O HETATM 1705 O HOH 100 16.683 11.854 38.487 1.00 44.48 O HETATM 1706 O HOH 101 -3.843 28.604 42.755 1.00 45.08 O HETATM 1707 O HOH 102 19.234 28.507 36.264 1.00 47.38 O HETATM 1708 O HOH 103 5.855 11.908 23.192 1.00 17.15 O HETATM 1709 O HOH 104 -6.882 5.467 24.099 1.00 41.37 O HETATM 1710 O HOH 105 0.748 36.509 25.983 1.00 39.06 O HETATM 1711 O HOH 106 -6.237 33.420 13.357 1.00 37.77 O HETATM 1712 O HOH 107 4.748 9.564 23.610 1.00 41.95 O HETATM 1713 O HOH 108 12.425 23.065 48.535 1.00 45.02 O HETATM 1714 O HOH 109 12.190 7.260 29.636 1.00 44.65 O HETATM 1715 O HOH 110 18.892 8.134 47.215 1.00 46.27 O HETATM 1716 O HOH 111 1.411 22.260 41.452 1.00 14.86 O HETATM 1717 O HOH 112 -6.335 23.880 33.716 1.00 16.75 O HETATM 1718 O HOH 113 5.962 21.160 43.264 1.00 15.13 O HETATM 1719 O HOH 114 -6.392 21.817 35.618 1.00 16.05 O HETATM 1720 O HOH 115 -0.432 14.606 38.798 1.00 25.19 O HETATM 1721 O HOH 116 -5.700 20.663 39.494 1.00 27.18 O HETATM 1722 O HOH 117 -6.389 25.513 29.800 1.00 21.48 O HETATM 1723 O HOH 118 1.190 22.797 46.205 1.00 24.15 O HETATM 1724 O HOH 119 -3.646 26.643 26.675 1.00 25.81 O HETATM 1725 O HOH 120 -3.159 17.240 41.229 1.00 26.53 O HETATM 1726 O HOH 121 -4.695 18.256 38.968 1.00 28.10 O HETATM 1727 O HOH 122 -5.436 19.363 35.342 1.00 32.19 O HETATM 1728 O HOH 123 -3.722 26.739 31.771 1.00 28.38 O HETATM 1729 O HOH 124 -4.696 25.186 37.986 1.00 33.33 O HETATM 1730 O HOH 125 -1.453 15.036 41.375 1.00 33.37 O HETATM 1731 O HOH 126 -0.098 11.468 38.993 1.00 38.27 O HETATM 1732 O HOH 127 -5.527 26.925 34.262 1.00 40.03 O HETATM 1733 N SER A 128 -5.282 18.163 44.530 1.00 0.24 N HETATM 1734 CA SER A 128 -5.989 18.780 45.650 1.00 0.09 C HETATM 1735 C SER A 128 -5.128 19.848 46.316 1.00 0.23 C HETATM 1736 O SER A 128 -5.497 21.019 46.380 1.00 -0.39 O HETATM 1737 N SER A 128 -3.973 19.427 46.811 1.00 -0.26 N HETATM 1738 CA SER A 128 -3.011 20.334 47.420 1.00 0.13 C HETATM 1739 C SER A 128 -1.858 20.575 46.446 1.00 0.20 C HETATM 1740 O SER A 128 -0.811 21.102 46.815 1.00 -0.39 O HETATM 1741 N SER A 128 -2.060 20.173 45.197 1.00 -0.26 N HETATM 1742 CA SER A 128 -1.042 20.328 44.168 1.00 0.14 C HETATM 1743 C SER A 128 -1.736 20.520 42.829 1.00 0.21 C HETATM 1744 O SER A 128 -2.016 19.553 42.126 1.00 -0.39 O HETATM 1745 N SER A 128 -2.023 21.774 42.485 1.00 -0.25 N HETATM 1746 CA SER A 128 -2.778 22.053 41.262 1.00 0.13 C HETATM 1747 C SER A 128 -1.987 21.708 40.003 1.00 0.20 C HETATM 1748 O SER A 128 -0.753 21.800 39.970 1.00 -0.39 O HETATM 1749 N SER A 128 -2.712 21.304 38.970 1.00 -0.26 N HETATM 1750 CA SER A 128 -2.130 21.187 37.642 1.00 0.16 C HETATM 1751 C SER A 128 -2.896 22.075 36.679 1.00 0.21 C HETATM 1752 O SER A 128 -4.066 22.412 36.914 1.00 -0.39 O HETATM 1753 N SER A 128 -2.233 22.475 35.602 1.00 -0.26 N HETATM 1754 CA SER A 128 -2.843 23.349 34.614 1.00 0.15 C HETATM 1755 C SER A 128 -2.746 22.743 33.233 1.00 0.21 C HETATM 1756 O SER A 128 -1.689 22.241 32.832 1.00 -0.39 O HETATM 1757 N SER A 128 -3.850 22.825 32.493 1.00 -0.26 N HETATM 1758 CA SER A 128 -3.912 22.353 31.111 1.00 0.13 C HETATM 1759 C SER A 128 -3.451 23.442 30.157 1.00 0.20 C HETATM 1760 O SER A 128 -3.922 24.580 30.230 1.00 -0.39 O HETATM 1761 N SER A 128 -2.516 23.094 29.271 1.00 -0.27 N HETATM 1762 CA SER A 128 -1.909 24.053 28.353 1.00 0.09 C HETATM 1763 C SER A 128 -2.072 23.594 26.923 1.00 0.06 C HETATM 1764 O SER A 128 -2.149 22.392 26.637 1.00 -0.57 O HETATM 1765 OXT SER A 128 -2.092 24.442 26.027 1.00 -0.57 O HETATM 1766 CB SER A 128 -0.405 24.161 28.618 1.00 -0.02 C HETATM 1767 CG SER A 128 0.086 24.273 30.053 1.00 -0.04 C HETATM 1768 CD1 SER A 128 1.623 24.223 30.066 1.00 -0.06 C HETATM 1769 H66 SER A 128 1.984 24.304 31.102 1.00 0.02 H HETATM 1770 H67 SER A 128 2.022 25.059 29.473 1.00 0.02 H HETATM 1771 H68 SER A 128 1.963 23.271 29.633 1.00 0.02 H HETATM 1772 CD2 SER A 128 -0.416 25.550 30.703 1.00 -0.06 C HETATM 1773 H69 SER A 128 -1.516 25.564 30.682 1.00 0.02 H HETATM 1774 H70 SER A 128 -0.028 26.419 30.152 1.00 0.02 H HETATM 1775 H71 SER A 128 -0.068 25.592 31.746 1.00 0.02 H HETATM 1776 H65 SER A 128 -0.301 23.417 30.626 1.00 0.03 H HETATM 1777 H63 SER A 128 -0.047 25.054 28.085 1.00 0.03 H HETATM 1778 H64 SER A 128 0.063 23.264 28.186 1.00 0.03 H HETATM 1779 H62 SER A 128 -2.385 25.035 28.488 1.00 0.07 H HETATM 1780 H61 SER A 128 -2.220 22.140 29.235 1.00 0.19 H HETATM 1781 CB SER A 128 -5.360 21.957 30.741 1.00 -0.00 C HETATM 1782 CG1 SER A 128 -5.839 20.819 31.651 1.00 -0.05 C HETATM 1783 CD1 SER A 128 -7.370 20.633 31.669 1.00 -0.06 C HETATM 1784 H58 SER A 128 -7.630 19.802 32.341 1.00 0.02 H HETATM 1785 H59 SER A 128 -7.724 20.407 30.652 1.00 0.02 H HETATM 1786 H60 SER A 128 -7.848 21.557 32.026 1.00 0.02 H HETATM 1787 H53 SER A 128 -5.504 21.032 32.677 1.00 0.03 H HETATM 1788 H54 SER A 128 -5.381 19.881 31.303 1.00 0.03 H HETATM 1789 CG2 SER A 128 -5.422 21.587 29.277 1.00 -0.06 C HETATM 1790 H55 SER A 128 -5.069 22.434 28.670 1.00 0.02 H HETATM 1791 H56 SER A 128 -6.460 21.346 29.003 1.00 0.02 H HETATM 1792 H57 SER A 128 -4.782 20.712 29.093 1.00 0.02 H HETATM 1793 H52 SER A 128 -6.016 22.825 30.904 1.00 0.03 H HETATM 1794 H51 SER A 128 -3.257 21.476 31.004 1.00 0.08 H HETATM 1795 H50 SER A 128 -4.671 23.226 32.900 1.00 0.19 H HETATM 1796 CB SER A 128 -2.169 24.719 34.609 1.00 0.08 C HETATM 1797 OG SER A 128 -2.343 25.372 35.846 1.00 -0.39 O HETATM 1798 H49 SER A 128 -1.959 24.846 36.538 1.00 0.21 H HETATM 1799 H47 SER A 128 -2.611 25.335 33.812 1.00 0.06 H HETATM 1800 H48 SER A 128 -1.093 24.590 34.419 1.00 0.06 H HETATM 1801 H46 SER A 128 -3.905 23.478 34.871 1.00 0.08 H HETATM 1802 H45 SER A 128 -1.291 22.168 35.467 1.00 0.19 H HETATM 1803 CB SER A 128 -2.065 19.731 37.143 1.00 0.09 C HETATM 1804 OG1 SER A 128 -3.385 19.216 36.938 1.00 -0.39 O HETATM 1805 H41 SER A 128 -3.865 19.242 37.758 1.00 0.21 H HETATM 1806 CG2 SER A 128 -1.309 18.854 38.134 1.00 -0.03 C HETATM 1807 H42 SER A 128 -1.275 17.821 37.758 1.00 0.03 H HETATM 1808 H43 SER A 128 -1.822 18.873 39.107 1.00 0.03 H HETATM 1809 H44 SER A 128 -0.284 19.235 38.253 1.00 0.03 H HETATM 1810 H40 SER A 128 -1.529 19.715 36.183 1.00 0.06 H HETATM 1811 H39 SER A 128 -1.096 21.559 37.696 1.00 0.08 H HETATM 1812 H38 SER A 128 -3.676 21.076 39.106 1.00 0.19 H HETATM 1813 CB SER A 128 -3.004 23.564 41.338 1.00 -0.01 C HETATM 1814 CG SER A 128 -1.846 24.068 42.119 1.00 -0.03 C HETATM 1815 CD SER A 128 -1.571 23.007 43.150 1.00 0.04 C HETATM 1816 H36 SER A 128 -0.498 22.957 43.389 1.00 0.05 H HETATM 1817 H37 SER A 128 -2.144 23.192 44.071 1.00 0.05 H HETATM 1818 H34 SER A 128 -2.095 25.023 42.605 1.00 0.03 H HETATM 1819 H35 SER A 128 -0.972 24.207 41.466 1.00 0.03 H HETATM 1820 H32 SER A 128 -3.950 23.791 41.852 1.00 0.03 H HETATM 1821 H33 SER A 128 -3.018 24.007 40.331 1.00 0.03 H HETATM 1822 H31 SER A 128 -3.732 21.505 41.257 1.00 0.08 H HETATM 1823 CB SER A 128 -0.139 19.100 44.121 1.00 0.00 C HETATM 1824 CG SER A 128 1.205 19.348 43.496 1.00 -0.04 C HETATM 1825 CD1 SER A 128 2.182 20.163 43.974 1.00 0.02 C HETATM 1826 NE1 SER A 128 3.287 20.115 43.148 1.00 -0.29 N HETATM 1827 CE2 SER A 128 3.030 19.257 42.114 1.00 0.06 C HETATM 1828 CD2 SER A 128 1.724 18.754 42.292 1.00 -0.02 C HETATM 1829 CE3 SER A 128 1.221 17.838 41.360 1.00 -0.07 C HETATM 1830 CZ3 SER A 128 2.023 17.476 40.279 1.00 -0.08 C HETATM 1831 CH2 SER A 128 3.315 17.999 40.128 1.00 -0.08 C HETATM 1832 CZ2 SER A 128 3.832 18.894 41.024 1.00 -0.04 C HETATM 1833 H28 SER A 128 4.826 19.307 40.895 1.00 0.05 H HETATM 1834 H30 SER A 128 3.918 17.687 39.282 1.00 0.05 H HETATM 1835 H29 SER A 128 1.641 16.778 39.542 1.00 0.05 H HETATM 1836 H27 SER A 128 0.228 17.419 41.477 1.00 0.05 H HETATM 1837 H26 SER A 128 4.162 20.640 43.288 1.00 0.22 H HETATM 1838 H25 SER A 128 2.104 20.766 44.877 1.00 0.08 H HETATM 1839 H23 SER A 128 -0.650 18.318 43.541 1.00 0.04 H HETATM 1840 H24 SER A 128 0.019 18.748 45.151 1.00 0.04 H HETATM 1841 H22 SER A 128 -0.430 21.214 44.392 1.00 0.08 H HETATM 1842 H21 SER A 128 -2.935 19.753 44.957 1.00 0.19 H HETATM 1843 CB SER A 128 -2.474 19.754 48.729 1.00 -0.01 C HETATM 1844 CG SER A 128 -3.169 18.473 49.193 1.00 -0.02 C HETATM 1845 CD SER A 128 -2.642 17.235 48.465 1.00 0.06 C HETATM 1846 NE SER A 128 -3.246 17.050 47.147 1.00 -0.27 N HETATM 1847 CZ SER A 128 -2.633 16.477 46.116 1.00 0.29 C HETATM 1848 NH1 SER A 128 -3.263 16.349 44.954 1.00 -0.28 N HETATM 1849 H17 SER A 128 -2.787 15.905 44.156 1.00 0.26 H HETATM 1850 H18 SER A 128 -4.228 16.694 44.851 1.00 0.26 H HETATM 1851 NH2 SER A 128 -1.387 16.038 46.245 1.00 -0.28 N HETATM 1852 H19 SER A 128 -0.897 16.137 47.146 1.00 0.26 H HETATM 1853 H20 SER A 128 -0.910 15.599 45.444 1.00 0.26 H HETATM 1854 H16 SER A 128 -4.210 17.386 47.008 1.00 0.26 H HETATM 1855 H14 SER A 128 -2.859 16.348 49.078 1.00 0.07 H HETATM 1856 H15 SER A 128 -1.554 17.337 48.341 1.00 0.07 H HETATM 1857 H12 SER A 128 -4.248 18.565 49.000 1.00 0.03 H HETATM 1858 H13 SER A 128 -2.999 18.349 50.273 1.00 0.03 H HETATM 1859 H10 SER A 128 -2.595 20.514 49.515 1.00 0.03 H HETATM 1860 H11 SER A 128 -1.405 19.534 48.593 1.00 0.03 H HETATM 1861 H9 SER A 128 -3.508 21.292 47.634 1.00 0.08 H HETATM 1862 H8 SER A 128 -3.755 18.452 46.764 1.00 0.19 H HETATM 1863 CB SER A 128 -6.400 17.711 46.668 1.00 0.10 C HETATM 1864 OG SER A 128 -7.150 18.272 47.733 1.00 -0.39 O HETATM 1865 H7 SER A 128 -7.389 17.587 48.346 1.00 0.21 H HETATM 1866 H5 SER A 128 -5.494 17.240 47.078 1.00 0.06 H HETATM 1867 H6 SER A 128 -7.012 16.951 46.161 1.00 0.06 H HETATM 1868 H4 SER A 128 -6.899 19.261 45.263 1.00 0.11 H HETATM 1869 H1 SER A 128 -5.870 17.462 44.107 1.00 0.20 H HETATM 1870 H2 SER A 128 -4.434 17.733 44.864 1.00 0.20 H HETATM 1871 H3 SER A 128 -5.055 18.868 43.847 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1733 1734 1869 1870 1871 CONECT 1734 1733 1735 1863 1868 CONECT 1735 1734 1736 1737 CONECT 1736 1735 CONECT 1737 1735 1738 1862 CONECT 1738 1737 1739 1843 1861 CONECT 1739 1738 1740 1741 CONECT 1740 1739 CONECT 1741 1739 1742 1842 CONECT 1742 1741 1743 1823 1841 CONECT 1743 1742 1744 1745 CONECT 1744 1743 CONECT 1745 1743 1746 1815 CONECT 1746 1745 1747 1813 1822 CONECT 1747 1746 1748 1749 CONECT 1748 1747 CONECT 1749 1747 1750 1812 CONECT 1750 1749 1751 1803 1811 CONECT 1751 1750 1752 1753 CONECT 1752 1751 CONECT 1753 1751 1754 1802 CONECT 1754 1753 1755 1796 1801 CONECT 1755 1754 1756 1757 CONECT 1756 1755 CONECT 1757 1755 1758 1795 CONECT 1758 1757 1759 1781 1794 CONECT 1759 1758 1760 1761 CONECT 1760 1759 CONECT 1761 1759 1762 1780 CONECT 1762 1761 1763 1766 1779 CONECT 1763 1762 1764 1765 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1762 1767 1777 1778 CONECT 1767 1766 1768 1772 1776 CONECT 1768 1767 1769 1770 1771 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1768 CONECT 1772 1767 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1767 CONECT 1777 1766 CONECT 1778 1766 CONECT 1779 1762 CONECT 1780 1761 CONECT 1781 1758 1782 1789 1793 CONECT 1782 1781 1783 1787 1788 CONECT 1783 1782 1784 1785 1786 CONECT 1784 1783 CONECT 1785 1783 CONECT 1786 1783 CONECT 1787 1782 CONECT 1788 1782 CONECT 1789 1781 1790 1791 1792 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1789 CONECT 1793 1781 CONECT 1794 1758 CONECT 1795 1757 CONECT 1796 1754 1797 1799 1800 CONECT 1797 1796 1798 CONECT 1798 1797 CONECT 1799 1796 CONECT 1800 1796 CONECT 1801 1754 CONECT 1802 1753 CONECT 1803 1750 1804 1806 1810 CONECT 1804 1803 1805 CONECT 1805 1804 CONECT 1806 1803 1807 1808 1809 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1806 CONECT 1810 1803 CONECT 1811 1750 CONECT 1812 1749 CONECT 1813 1746 1814 1820 1821 CONECT 1814 1813 1815 1818 1819 CONECT 1815 1745 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 CONECT 1818 1814 CONECT 1819 1814 CONECT 1820 1813 CONECT 1821 1813 CONECT 1822 1746 CONECT 1823 1742 1824 1839 1840 CONECT 1824 1823 1825 1828 CONECT 1825 1824 1826 1838 CONECT 1826 1825 1827 1837 CONECT 1827 1826 1828 1832 CONECT 1828 1824 1827 1829 CONECT 1829 1828 1830 1836 CONECT 1830 1829 1831 1835 CONECT 1831 1830 1832 1834 CONECT 1832 1827 1831 1833 CONECT 1833 1832 CONECT 1834 1831 CONECT 1835 1830 CONECT 1836 1829 CONECT 1837 1826 CONECT 1838 1825 CONECT 1839 1823 CONECT 1840 1823 CONECT 1841 1742 CONECT 1842 1741 CONECT 1843 1738 1844 1859 1860 CONECT 1844 1843 1845 1857 1858 CONECT 1845 1844 1846 1855 1856 CONECT 1846 1845 1847 1854 CONECT 1847 1846 1848 1851 CONECT 1848 1847 1849 1850 CONECT 1849 1848 CONECT 1850 1848 CONECT 1851 1847 1852 1853 CONECT 1852 1851 CONECT 1853 1851 CONECT 1854 1846 CONECT 1855 1845 CONECT 1856 1845 CONECT 1857 1844 CONECT 1858 1844 CONECT 1859 1843 CONECT 1860 1843 CONECT 1861 1738 CONECT 1862 1737 CONECT 1863 1734 1864 1866 1867 CONECT 1864 1863 1865 CONECT 1865 1864 CONECT 1866 1863 CONECT 1867 1863 CONECT 1868 1734 CONECT 1869 1733 CONECT 1870 1733 CONECT 1871 1733 MASTER 0 0 0 0 0 0 0 0 1870 1 143 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Protein Sequence Similarity
3diw
RCSB PDB
PDBbind
124aa, >3DIW_1|Chains... *
Complexes with the same small molecule ligand
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Ligand Name
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PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4e3b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tax1-binding protein 3
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=0.9uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 5114-5126
Ligand Properties
Formula
C
4
4
H
7
2
N
1
2
O
1
2
Molecular Weight
961.116
Exact Mass
960.539
No. of atoms
140
No. of bonds
142
Polar Surface Area
402.34
LOGP Value
-1.04 (
Computed with XLOGP3
)
-2.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C44H70N12O12/c1-6-23(4)34(40(64)52-31(43(67)68)17-22(2)3)54-38(62)32(21-58)53-41(65)35(24(5)59)55-39(63)33-14-10-16-56(33)42(66)30(18-25-19-49-28-12-8-7-11-26(25)28)51-37(61)29(13-9-15-48-44(46)47)50-36(60)27(45)20-57/h7-8,11-12,19,22-24,27,29-35,49,57-59H,6,9-10,13-18,20-21,45H2,1-5H3,(H,50,60)(H,51,61)(H,52,64)(H,53,65)(H,54,62)(H,55,63)(H,67,68)(H4,46,47,48)/p+2/t23-,24+,27-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O14907
Entrez Gene ID
NCBI Entrez Gene ID:
30851
ASD
Information of known allosteric effects of PDB entries
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