Browse entries in the PDBbind-CN Database
HEADER 2VZR_COMPLEX COMPND 2VZR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 PRO VAL ASP TYR GLN ALA GLU ASP ALA THR ILE VAL GLN SEQRES 2 A 125 GLY ALA VAL GLU SER ASN HIS ALA GLY TYR THR GLY THR SEQRES 3 A 125 GLY PHE VAL ASN TYR ASP ASN VAL ALA GLY SER SER VAL SEQRES 4 A 125 GLU TRP THR VAL THR VAL PRO SER ALA GLY THR TYR ASP SEQRES 5 A 125 VAL VAL VAL ARG TYR ALA ASN GLY THR THR THR SER ARG SEQRES 6 A 125 PRO LEU ASP PHE SER VAL ASN GLY SER ILE SER ALA SER SEQRES 7 A 125 GLY VAL ALA PHE GLY SER THR GLY THR TRP PRO ALA TRP SEQRES 8 A 125 THR THR LYS THR VAL ARG VAL THR LEU ALA ALA GLY VAL SEQRES 9 A 125 ASN LYS ILE LYS ALA VAL ALA THR THR ALA ASN GLY GLY SEQRES 10 A 125 PRO ASN VAL ASP LYS ILE THR LEU HET CA A 1 1 HET CA A 2 1 HET GCU A 314 22 ATOM 1 N PRO A 3 21.418 -8.987 27.436 1.00 27.65 N ATOM 2 CA PRO A 3 21.119 -8.825 28.864 1.00 27.16 C ATOM 3 C PRO A 3 22.156 -7.918 29.537 1.00 25.75 C ATOM 4 O PRO A 3 23.097 -8.404 30.158 1.00 26.50 O ATOM 5 CB PRO A 3 21.225 -10.263 29.391 1.00 27.72 C ATOM 6 CG PRO A 3 22.219 -10.961 28.412 1.00 28.59 C ATOM 7 CD PRO A 3 22.400 -10.057 27.207 1.00 27.57 C ATOM 8 HA PRO A 3 20.152 -8.361 29.058 1.00 0.00 H ATOM 9 HD3 PRO A 3 23.413 -9.656 27.168 1.00 0.00 H ATOM 10 HD2 PRO A 3 22.186 -10.592 26.282 1.00 0.00 H ATOM 11 HG3 PRO A 3 21.814 -11.923 28.096 1.00 0.00 H ATOM 12 HG2 PRO A 3 23.178 -11.116 28.906 1.00 0.00 H ATOM 13 HB2 PRO A 3 21.614 -10.274 30.409 1.00 0.00 H ATOM 14 HB3 PRO A 3 20.253 -10.755 29.370 1.00 0.00 H ATOM 15 N VAL A 4 21.981 -6.608 29.407 1.00 23.90 N ATOM 16 CA VAL A 4 23.044 -5.651 29.720 1.00 22.03 C ATOM 17 C VAL A 4 22.716 -4.767 30.935 1.00 20.91 C ATOM 18 O VAL A 4 21.597 -4.271 31.052 1.00 19.88 O ATOM 19 CB VAL A 4 23.357 -4.789 28.479 1.00 21.93 C ATOM 20 CG1 VAL A 4 24.352 -3.678 28.805 1.00 21.55 C ATOM 21 CG2 VAL A 4 23.897 -5.670 27.361 1.00 22.63 C ATOM 22 HA VAL A 4 23.928 -6.227 29.994 1.00 0.00 H ATOM 23 HB VAL A 4 22.431 -4.317 28.152 1.00 0.00 H ATOM 24 HG11 VAL A 4 23.934 -3.032 29.577 1.00 0.00 H ATOM 25 HG12 VAL A 4 25.282 -4.119 29.163 1.00 0.00 H ATOM 26 HG13 VAL A 4 24.548 -3.092 27.907 1.00 0.00 H ATOM 27 HG21 VAL A 4 24.809 -6.163 27.697 1.00 0.00 H ATOM 28 HG22 VAL A 4 23.152 -6.421 27.100 1.00 0.00 H ATOM 29 HG23 VAL A 4 24.116 -5.054 26.488 1.00 0.00 H ATOM 30 H VAL A 4 21.063 -6.252 29.073 1.00 0.00 H ATOM 31 N ASP A 5 23.695 -4.590 31.825 1.00 19.35 N ATOM 32 CA ASP A 5 23.535 -3.726 32.994 1.00 18.44 C ATOM 33 C ASP A 5 23.953 -2.306 32.634 1.00 17.41 C ATOM 34 O ASP A 5 25.014 -2.081 32.034 1.00 17.96 O ATOM 35 CB ASP A 5 24.368 -4.210 34.200 1.00 18.09 C ATOM 36 CG ASP A 5 23.928 -5.563 34.756 1.00 19.14 C ATOM 37 OD1 ASP A 5 22.718 -5.847 34.855 1.00 19.47 O ATOM 38 OD2 ASP A 5 24.825 -6.352 35.144 1.00 21.87 O ATOM 39 HA ASP A 5 22.485 -3.758 33.283 1.00 0.00 H ATOM 40 HB2 ASP A 5 25.409 -4.290 33.888 1.00 0.00 H ATOM 41 HB3 ASP A 5 24.284 -3.469 34.995 1.00 0.00 H ATOM 42 H ASP A 5 24.600 -5.082 31.683 1.00 0.00 H ATOM 43 N TYR A 6 23.100 -1.356 33.000 1.00 15.99 N ATOM 44 CA TYR A 6 23.356 0.062 32.854 1.00 14.81 C ATOM 45 C TYR A 6 23.288 0.713 34.243 1.00 13.60 C ATOM 46 O TYR A 6 22.209 0.966 34.760 1.00 12.52 O ATOM 47 CB TYR A 6 22.320 0.694 31.907 1.00 15.49 C ATOM 48 CG TYR A 6 22.343 0.160 30.479 1.00 16.13 C ATOM 49 CD1 TYR A 6 21.484 -0.874 30.088 1.00 16.65 C ATOM 50 CD2 TYR A 6 23.194 0.711 29.514 1.00 17.21 C ATOM 51 CE1 TYR A 6 21.472 -1.358 28.771 1.00 16.04 C ATOM 52 CE2 TYR A 6 23.205 0.223 28.192 1.00 16.59 C ATOM 53 CZ TYR A 6 22.336 -0.815 27.837 1.00 17.18 C ATOM 54 OH TYR A 6 22.324 -1.303 26.552 1.00 16.81 O ATOM 55 HA TYR A 6 24.344 0.222 32.423 1.00 0.00 H ATOM 56 HB3 TYR A 6 22.506 1.767 31.870 1.00 0.00 H ATOM 57 HB2 TYR A 6 21.328 0.512 32.321 1.00 0.00 H ATOM 58 HD2 TYR A 6 23.858 1.530 29.789 1.00 0.00 H ATOM 59 HE2 TYR A 6 23.884 0.650 27.453 1.00 0.00 H ATOM 60 HE1 TYR A 6 20.787 -2.156 28.486 1.00 0.00 H ATOM 61 HD1 TYR A 6 20.809 -1.313 30.823 1.00 0.00 H ATOM 62 HH TYR A 6 21.654 -2.028 26.482 1.00 0.00 H ATOM 63 H TYR A 6 22.193 -1.648 33.417 1.00 0.00 H ATOM 64 N GLN A 7 24.452 0.961 34.845 1.00 13.05 N ATOM 65 CA GLN A 7 24.542 1.539 36.192 1.00 11.89 C ATOM 66 C GLN A 7 23.952 2.954 36.337 1.00 11.76 C ATOM 67 O GLN A 7 24.218 3.838 35.527 1.00 11.65 O ATOM 68 CB GLN A 7 26.003 1.492 36.685 1.00 11.74 C ATOM 69 CG GLN A 7 26.590 0.067 36.725 1.00 10.39 C ATOM 70 CD GLN A 7 25.870 -0.834 37.713 1.00 12.39 C ATOM 71 OE1 GLN A 7 25.218 -0.349 38.646 1.00 13.24 O ATOM 72 NE2 GLN A 7 25.990 -2.159 37.526 1.00 11.33 N ATOM 73 HA GLN A 7 23.910 0.917 36.825 1.00 0.00 H ATOM 74 HB2 GLN A 7 26.613 2.099 36.016 1.00 0.00 H ATOM 75 HB3 GLN A 7 26.042 1.911 37.691 1.00 0.00 H ATOM 76 HG2 GLN A 7 26.511 -0.372 35.730 1.00 0.00 H ATOM 77 HG3 GLN A 7 27.640 0.130 37.010 1.00 0.00 H ATOM 78 HE22 GLN A 7 26.548 -2.523 36.728 1.00 0.00 H ATOM 79 HE21 GLN A 7 25.525 -2.821 38.180 1.00 0.00 H ATOM 80 H GLN A 7 25.333 0.736 34.339 1.00 0.00 H ATOM 81 N ALA A 8 23.143 3.160 37.377 1.00 11.64 N ATOM 82 CA ALA A 8 22.484 4.458 37.603 1.00 11.93 C ATOM 83 C ALA A 8 23.499 5.582 37.813 1.00 12.49 C ATOM 84 O ALA A 8 23.327 6.711 37.314 1.00 12.47 O ATOM 85 CB ALA A 8 21.522 4.363 38.801 1.00 11.82 C ATOM 86 HA ALA A 8 21.913 4.702 36.707 1.00 0.00 H ATOM 87 HB1 ALA A 8 20.763 3.607 38.597 1.00 0.00 H ATOM 88 HB2 ALA A 8 22.082 4.086 39.694 1.00 0.00 H ATOM 89 HB3 ALA A 8 21.042 5.329 38.957 1.00 0.00 H ATOM 90 H ALA A 8 22.973 2.383 38.047 1.00 0.00 H ATOM 91 N GLU A 9 24.562 5.258 38.554 1.00 13.24 N ATOM 92 CA GLU A 9 25.640 6.196 38.868 1.00 14.20 C ATOM 93 C GLU A 9 26.423 6.643 37.618 1.00 15.48 C ATOM 94 O GLU A 9 27.211 7.582 37.683 1.00 15.55 O ATOM 95 CB GLU A 9 26.600 5.590 39.914 1.00 14.05 C ATOM 96 CG GLU A 9 27.322 4.280 39.504 1.00 13.36 C ATOM 97 CD GLU A 9 26.555 3.010 39.871 1.00 11.77 C ATOM 98 OE1 GLU A 9 25.308 3.009 40.016 1.00 11.09 O ATOM 99 OE2 GLU A 9 27.204 1.969 39.996 1.00 12.09 O ATOM 100 HA GLU A 9 25.169 7.086 39.285 1.00 0.00 H ATOM 101 HB2 GLU A 9 27.364 6.335 40.136 1.00 0.00 H ATOM 102 HB3 GLU A 9 26.023 5.384 40.815 1.00 0.00 H ATOM 103 HG2 GLU A 9 27.469 4.292 38.424 1.00 0.00 H ATOM 104 HG3 GLU A 9 28.291 4.252 40.001 1.00 0.00 H ATOM 105 H GLU A 9 24.627 4.289 38.927 1.00 0.00 H ATOM 106 N ASP A 10 26.199 5.954 36.499 1.00 15.97 N ATOM 107 CA ASP A 10 26.844 6.275 35.226 1.00 17.07 C ATOM 108 C ASP A 10 25.896 7.011 34.284 1.00 17.12 C ATOM 109 O ASP A 10 26.273 7.431 33.189 1.00 17.35 O ATOM 110 CB ASP A 10 27.393 4.999 34.577 1.00 17.33 C ATOM 111 CG ASP A 10 28.488 4.349 35.415 1.00 20.22 C ATOM 112 OD1 ASP A 10 29.326 5.073 35.999 1.00 21.57 O ATOM 113 OD2 ASP A 10 28.518 3.110 35.496 1.00 25.38 O ATOM 114 HA ASP A 10 27.677 6.948 35.428 1.00 0.00 H ATOM 115 HB2 ASP A 10 26.576 4.288 34.455 1.00 0.00 H ATOM 116 HB3 ASP A 10 27.803 5.251 33.599 1.00 0.00 H ATOM 117 H ASP A 10 25.537 5.153 36.533 1.00 0.00 H ATOM 118 N ALA A 11 24.668 7.198 34.741 1.00 16.66 N ATOM 119 CA ALA A 11 23.642 7.808 33.928 1.00 17.23 C ATOM 120 C ALA A 11 23.548 9.313 34.205 1.00 17.01 C ATOM 121 O ALA A 11 24.297 9.850 35.032 1.00 17.27 O ATOM 122 CB ALA A 11 22.318 7.105 34.189 1.00 16.92 C ATOM 123 HA ALA A 11 23.897 7.696 32.874 1.00 0.00 H ATOM 124 HB1 ALA A 11 22.412 6.050 33.932 1.00 0.00 H ATOM 125 HB2 ALA A 11 22.058 7.202 35.243 1.00 0.00 H ATOM 126 HB3 ALA A 11 21.539 7.561 33.578 1.00 0.00 H ATOM 127 H ALA A 11 24.436 6.898 35.710 1.00 0.00 H ATOM 128 N THR A 12 22.640 9.990 33.511 1.00 17.13 N ATOM 129 CA THR A 12 22.381 11.406 33.763 1.00 17.17 C ATOM 130 C THR A 12 21.459 11.611 34.976 1.00 16.98 C ATOM 131 O THR A 12 20.325 11.143 34.995 1.00 16.75 O ATOM 132 CB THR A 12 21.822 12.103 32.508 1.00 17.55 C ATOM 133 OG1 THR A 12 22.806 12.057 31.466 1.00 18.22 O ATOM 134 CG2 THR A 12 21.454 13.546 32.803 1.00 17.38 C ATOM 135 HA THR A 12 23.336 11.872 34.004 1.00 0.00 H ATOM 136 HB THR A 12 20.919 11.581 32.192 1.00 0.00 H ATOM 137 HG1 THR A 12 23.626 12.522 31.768 1.00 0.00 H ATOM 138 HG23 THR A 12 20.706 13.574 33.595 1.00 0.00 H ATOM 139 HG21 THR A 12 22.344 14.089 33.122 1.00 0.00 H ATOM 140 HG22 THR A 12 21.049 14.008 31.903 1.00 0.00 H ATOM 141 H THR A 12 22.100 9.500 32.770 1.00 0.00 H ATOM 142 N ILE A 13 21.962 12.320 35.982 1.00 16.66 N ATOM 143 CA ILE A 13 21.275 12.435 37.269 1.00 16.40 C ATOM 144 C ILE A 13 20.791 13.876 37.472 1.00 16.40 C ATOM 145 O ILE A 13 21.565 14.806 37.324 1.00 17.02 O ATOM 146 CB ILE A 13 22.210 12.002 38.428 1.00 16.34 C ATOM 147 CG1 ILE A 13 22.617 10.534 38.260 1.00 16.16 C ATOM 148 CG2 ILE A 13 21.555 12.246 39.794 1.00 15.43 C ATOM 149 CD1 ILE A 13 23.919 10.158 38.976 1.00 17.15 C ATOM 150 HA ILE A 13 20.411 11.771 37.269 1.00 0.00 H ATOM 151 HB ILE A 13 23.111 12.614 38.389 1.00 0.00 H ATOM 152 HG12 ILE A 13 21.816 9.909 38.656 1.00 0.00 H ATOM 153 HG13 ILE A 13 22.741 10.333 37.196 1.00 0.00 H ATOM 154 HD11 ILE A 13 24.736 10.764 38.584 1.00 0.00 H ATOM 155 HD12 ILE A 13 23.810 10.340 40.045 1.00 0.00 H ATOM 156 HD13 ILE A 13 24.134 9.103 38.806 1.00 0.00 H ATOM 157 HG21 ILE A 13 21.333 13.307 39.905 1.00 0.00 H ATOM 158 HG22 ILE A 13 20.631 11.672 39.860 1.00 0.00 H ATOM 159 HG23 ILE A 13 22.237 11.932 40.584 1.00 0.00 H ATOM 160 H ILE A 13 22.871 12.808 35.850 1.00 0.00 H ATOM 161 N VAL A 14 19.506 14.044 37.776 1.00 16.15 N ATOM 162 CA VAL A 14 18.937 15.352 38.080 1.00 16.13 C ATOM 163 C VAL A 14 18.439 15.326 39.523 1.00 15.80 C ATOM 164 O VAL A 14 17.648 14.466 39.891 1.00 16.21 O ATOM 165 CB VAL A 14 17.778 15.726 37.100 1.00 16.11 C ATOM 166 CG1 VAL A 14 17.121 17.036 37.513 1.00 16.20 C ATOM 167 CG2 VAL A 14 18.280 15.815 35.647 1.00 17.54 C ATOM 168 HA VAL A 14 19.704 16.116 37.956 1.00 0.00 H ATOM 169 HB VAL A 14 17.034 14.931 37.153 1.00 0.00 H ATOM 170 HG11 VAL A 14 16.712 16.935 38.518 1.00 0.00 H ATOM 171 HG12 VAL A 14 17.864 17.834 37.500 1.00 0.00 H ATOM 172 HG13 VAL A 14 16.318 17.274 36.815 1.00 0.00 H ATOM 173 HG21 VAL A 14 19.054 16.580 35.577 1.00 0.00 H ATOM 174 HG22 VAL A 14 18.691 14.851 35.346 1.00 0.00 H ATOM 175 HG23 VAL A 14 17.449 16.077 34.992 1.00 0.00 H ATOM 176 H VAL A 14 18.884 13.211 37.798 1.00 0.00 H ATOM 177 N GLN A 15 18.905 16.270 40.333 1.00 15.87 N ATOM 178 CA GLN A 15 18.601 16.321 41.768 1.00 15.75 C ATOM 179 C GLN A 15 18.770 14.962 42.448 1.00 15.69 C ATOM 180 O GLN A 15 17.811 14.371 42.937 1.00 15.18 O ATOM 181 CB GLN A 15 17.207 16.874 42.008 1.00 16.18 C ATOM 182 CG GLN A 15 16.952 18.212 41.328 1.00 17.18 C ATOM 183 CD GLN A 15 15.650 18.813 41.776 1.00 18.17 C ATOM 184 OE1 GLN A 15 15.522 19.240 42.917 1.00 19.73 O ATOM 185 NE2 GLN A 15 14.669 18.834 40.889 1.00 15.94 N ATOM 186 HA GLN A 15 19.326 16.997 42.221 1.00 0.00 H ATOM 187 HB2 GLN A 15 16.481 16.153 41.632 1.00 0.00 H ATOM 188 HB3 GLN A 15 17.068 17.001 43.081 1.00 0.00 H ATOM 189 HG2 GLN A 15 17.763 18.897 41.576 1.00 0.00 H ATOM 190 HG3 GLN A 15 16.921 18.062 40.249 1.00 0.00 H ATOM 191 HE22 GLN A 15 14.826 18.460 39.931 1.00 0.00 H ATOM 192 HE21 GLN A 15 13.741 19.225 41.149 1.00 0.00 H ATOM 193 H GLN A 15 19.515 17.010 39.930 1.00 0.00 H ATOM 194 N GLY A 16 20.006 14.476 42.439 1.00 15.87 N ATOM 195 CA GLY A 16 20.373 13.220 43.067 1.00 15.64 C ATOM 196 C GLY A 16 21.871 13.193 43.297 1.00 15.70 C ATOM 197 O GLY A 16 22.592 14.117 42.909 1.00 15.88 O ATOM 198 HA3 GLY A 16 20.089 12.392 42.418 1.00 0.00 H ATOM 199 HA2 GLY A 16 19.856 13.125 44.022 1.00 0.00 H ATOM 200 H GLY A 16 20.748 15.023 41.958 1.00 0.00 H ATOM 201 N ALA A 17 22.342 12.120 43.918 1.00 14.72 N ATOM 202 CA ALA A 17 23.734 11.995 44.304 1.00 14.33 C ATOM 203 C ALA A 17 24.159 10.547 44.190 1.00 14.24 C ATOM 204 O ALA A 17 23.414 9.660 44.585 1.00 12.69 O ATOM 205 CB ALA A 17 23.921 12.488 45.751 1.00 15.09 C ATOM 206 HA ALA A 17 24.351 12.604 43.643 1.00 0.00 H ATOM 207 HB1 ALA A 17 23.620 13.533 45.819 1.00 0.00 H ATOM 208 HB2 ALA A 17 23.306 11.887 46.421 1.00 0.00 H ATOM 209 HB3 ALA A 17 24.969 12.391 46.034 1.00 0.00 H ATOM 210 H ALA A 17 21.689 11.340 44.136 1.00 0.00 H ATOM 211 N VAL A 18 25.360 10.316 43.656 1.00 14.37 N ATOM 212 CA VAL A 18 25.995 8.988 43.706 1.00 14.66 C ATOM 213 C VAL A 18 26.490 8.710 45.135 1.00 14.82 C ATOM 214 O VAL A 18 27.273 9.477 45.701 1.00 14.90 O ATOM 215 CB VAL A 18 27.135 8.857 42.663 1.00 14.30 C ATOM 216 CG1 VAL A 18 27.908 7.532 42.823 1.00 15.24 C ATOM 217 CG2 VAL A 18 26.561 8.986 41.251 1.00 14.37 C ATOM 218 HA VAL A 18 25.253 8.234 43.442 1.00 0.00 H ATOM 219 HB VAL A 18 27.847 9.664 42.835 1.00 0.00 H ATOM 220 HG11 VAL A 18 28.348 7.488 43.819 1.00 0.00 H ATOM 221 HG12 VAL A 18 27.223 6.695 42.689 1.00 0.00 H ATOM 222 HG13 VAL A 18 28.697 7.481 42.073 1.00 0.00 H ATOM 223 HG21 VAL A 18 25.827 8.198 41.085 1.00 0.00 H ATOM 224 HG22 VAL A 18 26.082 9.959 41.142 1.00 0.00 H ATOM 225 HG23 VAL A 18 27.367 8.893 40.523 1.00 0.00 H ATOM 226 H VAL A 18 25.863 11.098 43.190 1.00 0.00 H ATOM 227 N GLU A 19 26.000 7.623 45.717 1.00 14.91 N ATOM 228 CA GLU A 19 26.356 7.242 47.077 1.00 14.78 C ATOM 229 C GLU A 19 26.665 5.763 47.113 1.00 14.96 C ATOM 230 O GLU A 19 26.432 5.054 46.129 1.00 14.89 O ATOM 231 CB GLU A 19 25.262 7.663 48.067 1.00 14.73 C ATOM 232 CG GLU A 19 25.020 9.178 47.988 1.00 16.05 C ATOM 233 CD GLU A 19 24.094 9.744 49.028 1.00 17.49 C ATOM 234 OE1 GLU A 19 23.314 8.992 49.645 1.00 18.41 O ATOM 235 OE2 GLU A 19 24.153 10.977 49.208 1.00 20.06 O ATOM 236 HA GLU A 19 27.255 7.771 47.393 1.00 0.00 H ATOM 237 HB2 GLU A 19 24.338 7.139 47.825 1.00 0.00 H ATOM 238 HB3 GLU A 19 25.573 7.401 49.078 1.00 0.00 H ATOM 239 HG2 GLU A 19 25.984 9.677 48.089 1.00 0.00 H ATOM 240 HG3 GLU A 19 24.599 9.400 47.007 1.00 0.00 H ATOM 241 H GLU A 19 25.339 7.022 45.184 1.00 0.00 H ATOM 242 N SER A 20 27.242 5.307 48.220 1.00 14.90 N ATOM 243 CA SER A 20 27.764 3.950 48.306 1.00 15.41 C ATOM 244 C SER A 20 27.736 3.444 49.749 1.00 16.08 C ATOM 245 O SER A 20 28.479 2.537 50.108 1.00 16.09 O ATOM 246 CB SER A 20 29.188 3.883 47.702 1.00 15.49 C ATOM 247 OG SER A 20 30.084 4.800 48.333 1.00 14.62 O ATOM 248 HA SER A 20 27.122 3.291 47.722 1.00 0.00 H ATOM 249 HB2 SER A 20 29.131 4.122 46.640 1.00 0.00 H ATOM 250 HB3 SER A 20 29.575 2.872 47.826 1.00 0.00 H ATOM 251 HG SER A 20 30.148 4.587 49.298 1.00 0.00 H ATOM 252 H SER A 20 27.323 5.935 49.045 1.00 0.00 H ATOM 253 N ASN A 21 26.857 4.022 50.569 1.00 16.69 N ATOM 254 CA ASN A 21 26.861 3.756 52.016 1.00 17.25 C ATOM 255 C ASN A 21 25.923 2.637 52.478 1.00 17.37 C ATOM 256 O ASN A 21 25.825 2.359 53.671 1.00 18.54 O ATOM 257 CB ASN A 21 26.587 5.049 52.800 1.00 17.46 C ATOM 258 CG ASN A 21 25.191 5.609 52.551 1.00 18.69 C ATOM 259 OD1 ASN A 21 24.689 5.571 51.431 1.00 17.98 O ATOM 260 ND2 ASN A 21 24.563 6.136 53.602 1.00 19.27 N ATOM 261 HA ASN A 21 27.864 3.388 52.233 1.00 0.00 H ATOM 262 HB2 ASN A 21 26.693 4.840 53.864 1.00 0.00 H ATOM 263 HB3 ASN A 21 27.321 5.798 52.503 1.00 0.00 H ATOM 264 HD22 ASN A 21 25.026 6.147 54.533 1.00 0.00 H ATOM 265 HD21 ASN A 21 23.610 6.536 53.491 1.00 0.00 H ATOM 266 H ASN A 21 26.151 4.677 50.176 1.00 0.00 H ATOM 267 N HIS A 22 25.215 2.016 51.542 1.00 16.74 N ATOM 268 CA HIS A 22 24.387 0.871 51.843 1.00 16.32 C ATOM 269 C HIS A 22 24.925 -0.258 50.987 1.00 16.25 C ATOM 270 O HIS A 22 25.143 -0.062 49.795 1.00 16.01 O ATOM 271 CB HIS A 22 22.921 1.151 51.493 1.00 16.61 C ATOM 272 CG HIS A 22 22.308 2.247 52.306 1.00 16.36 C ATOM 273 ND1 HIS A 22 22.197 2.179 53.678 1.00 16.33 N ATOM 274 CD2 HIS A 22 21.768 3.434 51.940 1.00 16.71 C ATOM 275 CE1 HIS A 22 21.622 3.280 54.125 1.00 16.98 C ATOM 276 NE2 HIS A 22 21.350 4.057 53.090 1.00 17.19 N ATOM 277 HA HIS A 22 24.417 0.627 52.905 1.00 0.00 H ATOM 278 HB2 HIS A 22 22.865 1.430 50.441 1.00 0.00 H ATOM 279 HB3 HIS A 22 22.347 0.239 51.657 1.00 0.00 H ATOM 280 HD2 HIS A 22 21.682 3.821 50.925 1.00 0.00 H ATOM 281 HE1 HIS A 22 21.408 3.509 55.169 1.00 0.00 H ATOM 282 H HIS A 22 25.258 2.364 50.563 1.00 0.00 H ATOM 283 N ALA A 23 25.131 -1.426 51.593 1.00 15.33 N ATOM 284 CA ALA A 23 25.756 -2.562 50.895 1.00 15.01 C ATOM 285 C ALA A 23 24.834 -3.161 49.828 1.00 14.42 C ATOM 286 O ALA A 23 23.606 -2.980 49.881 1.00 14.57 O ATOM 287 CB ALA A 23 26.162 -3.629 51.893 1.00 14.93 C ATOM 288 HA ALA A 23 26.643 -2.184 50.386 1.00 0.00 H ATOM 289 HB1 ALA A 23 26.875 -3.209 52.602 1.00 0.00 H ATOM 290 HB2 ALA A 23 25.279 -3.979 52.428 1.00 0.00 H ATOM 291 HB3 ALA A 23 26.623 -4.463 51.364 1.00 0.00 H ATOM 292 H ALA A 23 24.843 -1.539 52.586 1.00 0.00 H ATOM 293 N GLY A 24 25.431 -3.865 48.870 1.00 13.55 N ATOM 294 CA GLY A 24 24.674 -4.703 47.940 1.00 13.83 C ATOM 295 C GLY A 24 24.492 -4.117 46.558 1.00 13.77 C ATOM 296 O GLY A 24 23.989 -4.792 45.667 1.00 13.71 O ATOM 297 HA3 GLY A 24 23.686 -4.876 48.367 1.00 0.00 H ATOM 298 HA2 GLY A 24 25.197 -5.654 47.839 1.00 0.00 H ATOM 299 H GLY A 24 26.466 -3.818 48.780 1.00 0.00 H ATOM 300 N TYR A 25 24.888 -2.855 46.378 1.00 13.03 N ATOM 301 CA TYR A 25 24.848 -2.237 45.067 1.00 13.05 C ATOM 302 C TYR A 25 25.847 -2.947 44.134 1.00 12.88 C ATOM 303 O TYR A 25 26.781 -3.626 44.595 1.00 12.73 O ATOM 304 CB TYR A 25 25.133 -0.716 45.161 1.00 12.88 C ATOM 305 CG TYR A 25 26.476 -0.396 45.783 1.00 12.46 C ATOM 306 CD1 TYR A 25 27.650 -0.442 45.019 1.00 11.37 C ATOM 307 CD2 TYR A 25 26.581 -0.075 47.140 1.00 13.48 C ATOM 308 CE1 TYR A 25 28.897 -0.159 45.587 1.00 13.21 C ATOM 309 CE2 TYR A 25 27.831 0.210 47.716 1.00 13.73 C ATOM 310 CZ TYR A 25 28.986 0.162 46.922 1.00 13.57 C ATOM 311 OH TYR A 25 30.238 0.421 47.461 1.00 14.54 O ATOM 312 HA TYR A 25 23.847 -2.346 44.649 1.00 0.00 H ATOM 313 HB3 TYR A 25 24.352 -0.254 45.766 1.00 0.00 H ATOM 314 HB2 TYR A 25 25.108 -0.296 44.155 1.00 0.00 H ATOM 315 HD2 TYR A 25 25.684 -0.045 47.758 1.00 0.00 H ATOM 316 HE2 TYR A 25 27.902 0.467 48.773 1.00 0.00 H ATOM 317 HE1 TYR A 25 29.797 -0.193 44.973 1.00 0.00 H ATOM 318 HD1 TYR A 25 27.591 -0.703 43.962 1.00 0.00 H ATOM 319 HH TYR A 25 30.924 0.340 46.752 1.00 0.00 H ATOM 320 H TYR A 25 25.231 -2.306 47.192 1.00 0.00 H ATOM 321 N THR A 26 25.600 -2.831 42.835 1.00 13.01 N ATOM 322 CA THR A 26 26.526 -3.289 41.785 1.00 13.04 C ATOM 323 C THR A 26 27.144 -2.060 41.134 1.00 12.94 C ATOM 324 O THR A 26 26.703 -0.933 41.401 1.00 13.10 O ATOM 325 CB THR A 26 25.815 -4.158 40.728 1.00 12.71 C ATOM 326 OG1 THR A 26 24.721 -3.421 40.145 1.00 12.75 O ATOM 327 CG2 THR A 26 25.289 -5.422 41.365 1.00 12.04 C ATOM 328 HA THR A 26 27.296 -3.914 42.236 1.00 0.00 H ATOM 329 HB THR A 26 26.531 -4.421 39.949 1.00 0.00 H ATOM 330 HG1 THR A 26 24.076 -3.174 40.854 1.00 0.00 H ATOM 331 HG23 THR A 26 26.117 -5.977 41.805 1.00 0.00 H ATOM 332 HG21 THR A 26 24.570 -5.164 42.142 1.00 0.00 H ATOM 333 HG22 THR A 26 24.802 -6.034 40.606 1.00 0.00 H ATOM 334 H THR A 26 24.703 -2.393 42.542 1.00 0.00 H ATOM 335 N GLY A 27 28.170 -2.246 40.302 1.00 12.55 N ATOM 336 CA GLY A 27 28.930 -1.090 39.808 1.00 12.14 C ATOM 337 C GLY A 27 29.666 -0.422 40.960 1.00 12.48 C ATOM 338 O GLY A 27 30.003 -1.069 41.952 1.00 12.64 O ATOM 339 HA3 GLY A 27 28.245 -0.374 39.353 1.00 0.00 H ATOM 340 HA2 GLY A 27 29.652 -1.424 39.063 1.00 0.00 H ATOM 341 H GLY A 27 28.431 -3.207 40.004 1.00 0.00 H ATOM 342 N THR A 28 29.889 0.878 40.854 1.00 12.80 N ATOM 343 CA THR A 28 30.662 1.570 41.868 1.00 12.85 C ATOM 344 C THR A 28 29.788 2.226 42.949 1.00 12.19 C ATOM 345 O THR A 28 30.306 2.771 43.913 1.00 12.47 O ATOM 346 CB THR A 28 31.598 2.606 41.231 1.00 13.16 C ATOM 347 OG1 THR A 28 30.827 3.502 40.423 1.00 14.48 O ATOM 348 CG2 THR A 28 32.638 1.923 40.363 1.00 13.17 C ATOM 349 HA THR A 28 31.261 0.809 42.368 1.00 0.00 H ATOM 350 HB THR A 28 32.107 3.155 42.024 1.00 0.00 H ATOM 351 HG1 THR A 28 30.365 2.990 39.713 1.00 0.00 H ATOM 352 HG23 THR A 28 33.228 1.240 40.974 1.00 0.00 H ATOM 353 HG21 THR A 28 32.139 1.365 39.571 1.00 0.00 H ATOM 354 HG22 THR A 28 33.292 2.675 39.922 1.00 0.00 H ATOM 355 H THR A 28 29.509 1.405 40.042 1.00 0.00 H ATOM 356 N GLY A 29 28.466 2.179 42.789 1.00 12.31 N ATOM 357 CA GLY A 29 27.574 2.832 43.754 1.00 11.78 C ATOM 358 C GLY A 29 26.119 2.720 43.365 1.00 11.89 C ATOM 359 O GLY A 29 25.712 1.737 42.758 1.00 10.70 O ATOM 360 HA3 GLY A 29 27.839 3.887 43.817 1.00 0.00 H ATOM 361 HA2 GLY A 29 27.712 2.365 44.729 1.00 0.00 H ATOM 362 H GLY A 29 28.063 1.675 41.973 1.00 0.00 H ATOM 363 N PHE A 30 25.335 3.730 43.738 1.00 12.18 N ATOM 364 CA PHE A 30 23.912 3.824 43.351 1.00 11.96 C ATOM 365 C PHE A 30 23.517 5.289 43.314 1.00 12.18 C ATOM 366 O PHE A 30 24.279 6.144 43.780 1.00 12.52 O ATOM 367 CB PHE A 30 22.988 3.034 44.311 1.00 12.39 C ATOM 368 CG PHE A 30 23.179 3.367 45.773 1.00 10.96 C ATOM 369 CD1 PHE A 30 22.450 4.400 46.376 1.00 10.45 C ATOM 370 CD2 PHE A 30 24.084 2.635 46.547 1.00 11.72 C ATOM 371 CE1 PHE A 30 22.633 4.716 47.718 1.00 12.13 C ATOM 372 CE2 PHE A 30 24.277 2.936 47.910 1.00 12.14 C ATOM 373 CZ PHE A 30 23.561 3.978 48.492 1.00 12.99 C ATOM 374 HA PHE A 30 23.790 3.374 42.366 1.00 0.00 H ATOM 375 HB2 PHE A 30 21.953 3.250 44.044 1.00 0.00 H ATOM 376 HB3 PHE A 30 23.183 1.970 44.175 1.00 0.00 H ATOM 377 HD2 PHE A 30 24.647 1.821 46.091 1.00 0.00 H ATOM 378 HE2 PHE A 30 24.983 2.356 48.505 1.00 0.00 H ATOM 379 HZ PHE A 30 23.714 4.226 49.542 1.00 0.00 H ATOM 380 HE1 PHE A 30 22.065 5.528 48.172 1.00 0.00 H ATOM 381 HD1 PHE A 30 21.729 4.964 45.785 1.00 0.00 H ATOM 382 H PHE A 30 25.742 4.485 44.327 1.00 0.00 H ATOM 383 N VAL A 31 22.336 5.572 42.758 1.00 11.64 N ATOM 384 CA VAL A 31 21.776 6.910 42.835 1.00 11.33 C ATOM 385 C VAL A 31 20.771 7.045 43.982 1.00 11.24 C ATOM 386 O VAL A 31 19.802 6.310 44.075 1.00 11.03 O ATOM 387 CB VAL A 31 21.163 7.413 41.501 1.00 11.02 C ATOM 388 CG1 VAL A 31 20.552 8.805 41.690 1.00 10.59 C ATOM 389 CG2 VAL A 31 22.231 7.486 40.447 1.00 9.21 C ATOM 390 HA VAL A 31 22.626 7.560 43.044 1.00 0.00 H ATOM 391 HB VAL A 31 20.384 6.716 41.191 1.00 0.00 H ATOM 392 HG11 VAL A 31 19.769 8.757 42.447 1.00 0.00 H ATOM 393 HG12 VAL A 31 21.328 9.500 42.011 1.00 0.00 H ATOM 394 HG13 VAL A 31 20.126 9.145 40.746 1.00 0.00 H ATOM 395 HG21 VAL A 31 23.011 8.176 40.769 1.00 0.00 H ATOM 396 HG22 VAL A 31 22.660 6.495 40.297 1.00 0.00 H ATOM 397 HG23 VAL A 31 21.794 7.840 39.513 1.00 0.00 H ATOM 398 H VAL A 31 21.810 4.824 42.263 1.00 0.00 H ATOM 399 N ASN A 32 21.066 7.985 44.866 1.00 11.32 N ATOM 400 CA ASN A 32 20.120 8.460 45.860 1.00 12.27 C ATOM 401 C ASN A 32 19.379 9.657 45.268 1.00 12.70 C ATOM 402 O ASN A 32 19.973 10.725 45.074 1.00 12.96 O ATOM 403 CB ASN A 32 20.879 8.873 47.124 1.00 12.29 C ATOM 404 CG ASN A 32 19.961 9.369 48.232 1.00 12.57 C ATOM 405 OD1 ASN A 32 18.754 9.500 48.041 1.00 12.77 O ATOM 406 ND2 ASN A 32 20.532 9.631 49.403 1.00 10.66 N ATOM 407 HA ASN A 32 19.408 7.679 46.125 1.00 0.00 H ATOM 408 HB2 ASN A 32 21.435 8.011 47.493 1.00 0.00 H ATOM 409 HB3 ASN A 32 21.576 9.671 46.866 1.00 0.00 H ATOM 410 HD22 ASN A 32 21.558 9.506 49.521 1.00 0.00 H ATOM 411 HD21 ASN A 32 19.953 9.961 50.202 1.00 0.00 H ATOM 412 H ASN A 32 22.018 8.402 44.848 1.00 0.00 H ATOM 413 N TYR A 33 18.095 9.486 44.955 1.00 13.02 N ATOM 414 CA TYR A 33 17.291 10.612 44.456 1.00 13.54 C ATOM 415 C TYR A 33 17.128 11.659 45.572 1.00 13.91 C ATOM 416 O TYR A 33 16.855 11.303 46.714 1.00 13.69 O ATOM 417 CB TYR A 33 15.887 10.134 44.059 1.00 13.02 C ATOM 418 CG TYR A 33 15.714 9.452 42.715 1.00 13.94 C ATOM 419 CD1 TYR A 33 16.485 8.338 42.359 1.00 12.92 C ATOM 420 CD2 TYR A 33 14.723 9.879 41.818 1.00 12.47 C ATOM 421 CE1 TYR A 33 16.289 7.697 41.146 1.00 12.61 C ATOM 422 CE2 TYR A 33 14.530 9.229 40.592 1.00 13.96 C ATOM 423 CZ TYR A 33 15.318 8.137 40.274 1.00 13.35 C ATOM 424 OH TYR A 33 15.162 7.487 39.071 1.00 13.65 O ATOM 425 HA TYR A 33 17.800 11.038 43.591 1.00 0.00 H ATOM 426 HB3 TYR A 33 15.235 11.007 44.065 1.00 0.00 H ATOM 427 HB2 TYR A 33 15.557 9.430 44.823 1.00 0.00 H ATOM 428 HD2 TYR A 33 14.094 10.730 42.079 1.00 0.00 H ATOM 429 HE2 TYR A 33 13.768 9.580 39.896 1.00 0.00 H ATOM 430 HE1 TYR A 33 16.907 6.839 40.880 1.00 0.00 H ATOM 431 HD1 TYR A 33 17.249 7.971 43.045 1.00 0.00 H ATOM 432 HH TYR A 33 15.331 8.122 38.330 1.00 0.00 H ATOM 433 H TYR A 33 17.658 8.549 45.064 1.00 0.00 H ATOM 434 N ASP A 34 17.241 12.950 45.266 1.00 14.44 N ATOM 435 CA ASP A 34 16.857 13.936 46.286 1.00 15.58 C ATOM 436 C ASP A 34 15.380 13.749 46.646 1.00 15.79 C ATOM 437 O ASP A 34 14.596 13.309 45.810 1.00 15.24 O ATOM 438 CB ASP A 34 17.128 15.363 45.822 1.00 15.77 C ATOM 439 CG ASP A 34 18.593 15.672 45.707 1.00 17.28 C ATOM 440 OD1 ASP A 34 19.455 14.864 46.150 1.00 18.04 O ATOM 441 OD2 ASP A 34 18.882 16.759 45.168 1.00 19.14 O ATOM 442 HA ASP A 34 17.468 13.770 47.173 1.00 0.00 H ATOM 443 HB2 ASP A 34 16.665 15.506 44.846 1.00 0.00 H ATOM 444 HB3 ASP A 34 16.682 16.053 46.539 1.00 0.00 H ATOM 445 H ASP A 34 17.590 13.251 44.334 1.00 0.00 H ATOM 446 N ASN A 35 15.003 14.041 47.897 1.00 17.06 N ATOM 447 CA ASN A 35 13.619 13.832 48.328 1.00 17.38 C ATOM 448 C ASN A 35 12.751 15.027 47.941 1.00 17.86 C ATOM 449 O ASN A 35 12.326 15.817 48.785 1.00 17.39 O ATOM 450 CB ASN A 35 13.520 13.524 49.834 1.00 18.26 C ATOM 451 CG ASN A 35 14.085 12.161 50.188 1.00 18.91 C ATOM 452 OD1 ASN A 35 13.460 11.383 50.918 1.00 21.66 O ATOM 453 ND2 ASN A 35 15.265 11.860 49.668 1.00 17.37 N ATOM 454 HA ASN A 35 13.241 12.953 47.807 1.00 0.00 H ATOM 455 HB2 ASN A 35 14.073 14.285 50.384 1.00 0.00 H ATOM 456 HB3 ASN A 35 12.471 13.555 50.129 1.00 0.00 H ATOM 457 HD22 ASN A 35 15.755 12.546 49.059 1.00 0.00 H ATOM 458 HD21 ASN A 35 15.702 10.938 49.869 1.00 0.00 H ATOM 459 H ASN A 35 15.700 14.420 48.569 1.00 0.00 H ATOM 460 N VAL A 36 12.535 15.143 46.633 1.00 18.15 N ATOM 461 CA VAL A 36 11.694 16.157 46.009 1.00 17.87 C ATOM 462 C VAL A 36 11.031 15.490 44.813 1.00 17.78 C ATOM 463 O VAL A 36 11.565 14.516 44.262 1.00 17.48 O ATOM 464 CB VAL A 36 12.522 17.368 45.479 1.00 18.28 C ATOM 465 CG1 VAL A 36 13.057 18.208 46.616 1.00 18.12 C ATOM 466 CG2 VAL A 36 13.676 16.901 44.566 1.00 18.81 C ATOM 467 HA VAL A 36 10.985 16.534 46.746 1.00 0.00 H ATOM 468 HB VAL A 36 11.847 17.987 44.887 1.00 0.00 H ATOM 469 HG11 VAL A 36 12.225 18.589 47.208 1.00 0.00 H ATOM 470 HG12 VAL A 36 13.702 17.596 47.246 1.00 0.00 H ATOM 471 HG13 VAL A 36 13.629 19.043 46.211 1.00 0.00 H ATOM 472 HG21 VAL A 36 14.340 16.245 45.129 1.00 0.00 H ATOM 473 HG22 VAL A 36 13.267 16.360 43.713 1.00 0.00 H ATOM 474 HG23 VAL A 36 14.233 17.769 44.214 1.00 0.00 H ATOM 475 H VAL A 36 13.003 14.457 46.007 1.00 0.00 H ATOM 476 N ALA A 37 9.882 16.005 44.391 1.00 17.32 N ATOM 477 CA ALA A 37 9.352 15.605 43.089 1.00 17.37 C ATOM 478 C ALA A 37 10.265 16.189 42.009 1.00 17.25 C ATOM 479 O ALA A 37 10.777 17.295 42.149 1.00 17.22 O ATOM 480 CB ALA A 37 7.915 16.079 42.925 1.00 17.18 C ATOM 481 HA ALA A 37 9.335 14.519 43.002 1.00 0.00 H ATOM 482 HB1 ALA A 37 7.297 15.639 43.708 1.00 0.00 H ATOM 483 HB2 ALA A 37 7.881 17.166 43.001 1.00 0.00 H ATOM 484 HB3 ALA A 37 7.541 15.770 41.949 1.00 0.00 H ATOM 485 H ALA A 37 9.364 16.687 44.982 1.00 0.00 H ATOM 486 N GLY A 38 10.525 15.421 40.960 1.00 17.16 N ATOM 487 CA GLY A 38 11.330 15.922 39.859 1.00 16.41 C ATOM 488 C GLY A 38 12.730 15.360 39.778 1.00 15.97 C ATOM 489 O GLY A 38 13.406 15.524 38.756 1.00 16.33 O ATOM 490 HA3 GLY A 38 11.406 17.004 39.962 1.00 0.00 H ATOM 491 HA2 GLY A 38 10.816 15.682 38.928 1.00 0.00 H ATOM 492 H GLY A 38 10.150 14.452 40.925 1.00 0.00 H ATOM 493 N SER A 39 13.181 14.706 40.847 1.00 14.74 N ATOM 494 CA SER A 39 14.464 14.021 40.809 1.00 14.25 C ATOM 495 C SER A 39 14.393 12.891 39.772 1.00 14.02 C ATOM 496 O SER A 39 13.365 12.217 39.646 1.00 13.39 O ATOM 497 CB SER A 39 14.843 13.503 42.201 1.00 14.38 C ATOM 498 OG SER A 39 13.748 12.897 42.857 1.00 13.18 O ATOM 499 HA SER A 39 15.249 14.716 40.511 1.00 0.00 H ATOM 500 HB2 SER A 39 15.196 14.340 42.804 1.00 0.00 H ATOM 501 HB3 SER A 39 15.642 12.769 42.098 1.00 0.00 H ATOM 502 HG SER A 39 13.019 13.559 42.961 1.00 0.00 H ATOM 503 H SER A 39 12.611 14.685 41.717 1.00 0.00 H ATOM 504 N SER A 40 15.467 12.697 39.014 1.00 13.64 N ATOM 505 CA SER A 40 15.414 11.758 37.900 1.00 13.61 C ATOM 506 C SER A 40 16.756 11.126 37.640 1.00 13.29 C ATOM 507 O SER A 40 17.790 11.686 38.013 1.00 13.71 O ATOM 508 CB SER A 40 14.904 12.452 36.625 1.00 14.06 C ATOM 509 OG SER A 40 15.848 13.411 36.145 1.00 14.03 O ATOM 510 HA SER A 40 14.717 10.968 38.178 1.00 0.00 H ATOM 511 HB2 SER A 40 13.964 12.958 36.847 1.00 0.00 H ATOM 512 HB3 SER A 40 14.737 11.700 35.853 1.00 0.00 H ATOM 513 HG SER A 40 16.702 12.956 35.937 1.00 0.00 H ATOM 514 H SER A 40 16.346 13.215 39.216 1.00 0.00 H ATOM 515 N VAL A 41 16.732 9.932 37.046 1.00 12.92 N ATOM 516 CA VAL A 41 17.913 9.346 36.435 1.00 13.37 C ATOM 517 C VAL A 41 17.550 9.044 34.980 1.00 13.87 C ATOM 518 O VAL A 41 16.472 8.535 34.710 1.00 13.98 O ATOM 519 CB VAL A 41 18.407 8.049 37.155 1.00 13.17 C ATOM 520 CG1 VAL A 41 19.682 7.502 36.471 1.00 12.77 C ATOM 521 CG2 VAL A 41 18.681 8.304 38.629 1.00 13.36 C ATOM 522 HA VAL A 41 18.741 10.050 36.514 1.00 0.00 H ATOM 523 HB VAL A 41 17.613 7.307 37.078 1.00 0.00 H ATOM 524 HG11 VAL A 41 19.462 7.268 35.429 1.00 0.00 H ATOM 525 HG12 VAL A 41 20.469 8.255 36.517 1.00 0.00 H ATOM 526 HG13 VAL A 41 20.010 6.599 36.986 1.00 0.00 H ATOM 527 HG21 VAL A 41 19.451 9.070 38.727 1.00 0.00 H ATOM 528 HG22 VAL A 41 17.766 8.643 39.114 1.00 0.00 H ATOM 529 HG23 VAL A 41 19.023 7.382 39.099 1.00 0.00 H ATOM 530 H VAL A 41 15.837 9.402 37.019 1.00 0.00 H ATOM 531 N GLU A 42 18.453 9.359 34.054 1.00 14.34 N ATOM 532 CA GLU A 42 18.240 9.071 32.629 1.00 15.09 C ATOM 533 C GLU A 42 19.390 8.238 32.045 1.00 14.50 C ATOM 534 O GLU A 42 20.535 8.698 31.973 1.00 13.86 O ATOM 535 CB GLU A 42 17.997 10.365 31.826 1.00 14.60 C ATOM 536 CG GLU A 42 17.630 10.125 30.340 1.00 16.28 C ATOM 537 CD GLU A 42 17.282 11.413 29.584 1.00 16.77 C ATOM 538 OE1 GLU A 42 18.057 12.380 29.692 1.00 19.17 O ATOM 539 OE2 GLU A 42 16.245 11.446 28.869 1.00 17.69 O ATOM 540 HA GLU A 42 17.337 8.467 32.545 1.00 0.00 H ATOM 541 HB2 GLU A 42 17.181 10.913 32.297 1.00 0.00 H ATOM 542 HB3 GLU A 42 18.905 10.967 31.862 1.00 0.00 H ATOM 543 HG2 GLU A 42 18.479 9.652 29.846 1.00 0.00 H ATOM 544 HG3 GLU A 42 16.770 9.457 30.300 1.00 0.00 H ATOM 545 H GLU A 42 19.336 9.823 34.348 1.00 0.00 H ATOM 546 N TRP A 43 19.065 7.006 31.646 1.00 14.33 N ATOM 547 CA TRP A 43 20.021 6.048 31.084 1.00 14.26 C ATOM 548 C TRP A 43 20.059 6.129 29.548 1.00 14.90 C ATOM 549 O TRP A 43 19.029 6.332 28.902 1.00 14.81 O ATOM 550 CB TRP A 43 19.616 4.621 31.458 1.00 13.82 C ATOM 551 CG TRP A 43 19.746 4.256 32.906 1.00 13.36 C ATOM 552 CD1 TRP A 43 20.817 3.649 33.504 1.00 12.56 C ATOM 553 CD2 TRP A 43 18.763 4.434 33.929 1.00 12.82 C ATOM 554 NE1 TRP A 43 20.565 3.446 34.837 1.00 11.74 N ATOM 555 CE2 TRP A 43 19.318 3.933 35.129 1.00 11.56 C ATOM 556 CE3 TRP A 43 17.475 4.998 33.956 1.00 13.27 C ATOM 557 CZ2 TRP A 43 18.632 3.955 36.332 1.00 12.05 C ATOM 558 CZ3 TRP A 43 16.780 5.010 35.170 1.00 12.42 C ATOM 559 CH2 TRP A 43 17.371 4.505 36.340 1.00 13.26 C ATOM 560 HA TRP A 43 21.001 6.297 31.491 1.00 0.00 H ATOM 561 HB2 TRP A 43 18.573 4.485 31.172 1.00 0.00 H ATOM 562 HB3 TRP A 43 20.241 3.936 30.884 1.00 0.00 H ATOM 563 HE1 TRP A 43 21.214 2.997 35.514 1.00 0.00 H ATOM 564 HD1 TRP A 43 21.738 3.367 32.994 1.00 0.00 H ATOM 565 HZ2 TRP A 43 19.076 3.550 37.241 1.00 0.00 H ATOM 566 HH2 TRP A 43 16.817 4.550 37.277 1.00 0.00 H ATOM 567 HZ3 TRP A 43 15.769 5.416 35.208 1.00 0.00 H ATOM 568 HE3 TRP A 43 17.029 5.416 33.053 1.00 0.00 H ATOM 569 H TRP A 43 18.073 6.708 31.740 1.00 0.00 H ATOM 570 N THR A 44 21.254 5.986 28.977 1.00 15.33 N ATOM 571 CA THR A 44 21.406 5.850 27.537 1.00 15.51 C ATOM 572 C THR A 44 21.632 4.363 27.280 1.00 15.88 C ATOM 573 O THR A 44 22.579 3.764 27.795 1.00 15.13 O ATOM 574 CB THR A 44 22.572 6.703 27.008 1.00 15.75 C ATOM 575 OG1 THR A 44 22.280 8.089 27.211 1.00 16.23 O ATOM 576 CG2 THR A 44 22.808 6.456 25.537 1.00 16.61 C ATOM 577 HA THR A 44 20.522 6.210 27.010 1.00 0.00 H ATOM 578 HB THR A 44 23.473 6.423 27.554 1.00 0.00 H ATOM 579 HG1 THR A 44 22.157 8.261 28.178 1.00 0.00 H ATOM 580 HG23 THR A 44 23.031 5.401 25.378 1.00 0.00 H ATOM 581 HG21 THR A 44 21.914 6.728 24.976 1.00 0.00 H ATOM 582 HG22 THR A 44 23.649 7.061 25.199 1.00 0.00 H ATOM 583 H THR A 44 22.103 5.971 29.578 1.00 0.00 H ATOM 584 N VAL A 45 20.723 3.750 26.524 1.00 15.86 N ATOM 585 CA VAL A 45 20.788 2.304 26.301 1.00 15.54 C ATOM 586 C VAL A 45 20.883 2.027 24.799 1.00 16.04 C ATOM 587 O VAL A 45 20.541 2.898 24.005 1.00 15.68 O ATOM 588 CB VAL A 45 19.570 1.570 26.936 1.00 15.67 C ATOM 589 CG1 VAL A 45 19.507 1.850 28.440 1.00 14.41 C ATOM 590 CG2 VAL A 45 18.238 1.973 26.242 1.00 14.82 C ATOM 591 HA VAL A 45 21.679 1.913 26.792 1.00 0.00 H ATOM 592 HB VAL A 45 19.706 0.499 26.786 1.00 0.00 H ATOM 593 HG11 VAL A 45 20.423 1.496 28.913 1.00 0.00 H ATOM 594 HG12 VAL A 45 19.403 2.922 28.605 1.00 0.00 H ATOM 595 HG13 VAL A 45 18.651 1.330 28.869 1.00 0.00 H ATOM 596 HG21 VAL A 45 18.087 3.048 26.345 1.00 0.00 H ATOM 597 HG22 VAL A 45 18.287 1.711 25.185 1.00 0.00 H ATOM 598 HG23 VAL A 45 17.410 1.441 26.711 1.00 0.00 H ATOM 599 H VAL A 45 19.959 4.304 26.087 1.00 0.00 H ATOM 600 N THR A 46 21.353 0.837 24.420 1.00 16.61 N ATOM 601 CA THR A 46 21.311 0.405 23.013 1.00 17.14 C ATOM 602 C THR A 46 20.712 -0.986 22.882 1.00 17.28 C ATOM 603 O THR A 46 21.108 -1.911 23.576 1.00 16.75 O ATOM 604 CB THR A 46 22.707 0.391 22.317 1.00 17.64 C ATOM 605 OG1 THR A 46 23.412 1.611 22.597 1.00 19.07 O ATOM 606 CG2 THR A 46 22.544 0.227 20.795 1.00 16.27 C ATOM 607 HA THR A 46 20.688 1.147 22.515 1.00 0.00 H ATOM 608 HB THR A 46 23.279 -0.451 22.707 1.00 0.00 H ATOM 609 HG1 THR A 46 23.537 1.701 23.575 1.00 0.00 H ATOM 610 HG23 THR A 46 22.009 -0.699 20.586 1.00 0.00 H ATOM 611 HG21 THR A 46 21.980 1.071 20.398 1.00 0.00 H ATOM 612 HG22 THR A 46 23.528 0.193 20.327 1.00 0.00 H ATOM 613 H THR A 46 21.758 0.200 25.135 1.00 0.00 H ATOM 614 N VAL A 47 19.766 -1.119 21.962 1.00 17.22 N ATOM 615 CA VAL A 47 19.124 -2.393 21.697 1.00 17.53 C ATOM 616 C VAL A 47 19.199 -2.713 20.194 1.00 17.45 C ATOM 617 O VAL A 47 19.327 -1.805 19.362 1.00 16.42 O ATOM 618 CB VAL A 47 17.657 -2.431 22.225 1.00 17.75 C ATOM 619 CG1 VAL A 47 17.633 -2.383 23.760 1.00 16.87 C ATOM 620 CG2 VAL A 47 16.807 -1.312 21.607 1.00 18.08 C ATOM 621 HA VAL A 47 19.663 -3.167 22.243 1.00 0.00 H ATOM 622 HB VAL A 47 17.210 -3.375 21.914 1.00 0.00 H ATOM 623 HG11 VAL A 47 18.174 -3.242 24.158 1.00 0.00 H ATOM 624 HG12 VAL A 47 18.108 -1.463 24.101 1.00 0.00 H ATOM 625 HG13 VAL A 47 16.600 -2.411 24.107 1.00 0.00 H ATOM 626 HG21 VAL A 47 17.241 -0.345 21.862 1.00 0.00 H ATOM 627 HG22 VAL A 47 16.787 -1.429 20.523 1.00 0.00 H ATOM 628 HG23 VAL A 47 15.791 -1.370 21.999 1.00 0.00 H ATOM 629 H VAL A 47 19.475 -0.284 21.414 1.00 0.00 H ATOM 630 N PRO A 48 19.153 -4.007 19.849 1.00 17.72 N ATOM 631 CA PRO A 48 19.334 -4.392 18.450 1.00 18.17 C ATOM 632 C PRO A 48 18.077 -4.263 17.571 1.00 18.70 C ATOM 633 O PRO A 48 18.204 -4.215 16.343 1.00 19.60 O ATOM 634 CB PRO A 48 19.769 -5.860 18.547 1.00 18.16 C ATOM 635 CG PRO A 48 19.153 -6.355 19.817 1.00 18.29 C ATOM 636 CD PRO A 48 18.964 -5.177 20.732 1.00 17.71 C ATOM 637 HA PRO A 48 20.048 -3.729 17.962 1.00 0.00 H ATOM 638 HD3 PRO A 48 17.964 -5.179 21.165 1.00 0.00 H ATOM 639 HD2 PRO A 48 19.705 -5.184 21.531 1.00 0.00 H ATOM 640 HG3 PRO A 48 19.810 -7.087 20.287 1.00 0.00 H ATOM 641 HG2 PRO A 48 18.189 -6.818 19.605 1.00 0.00 H ATOM 642 HB2 PRO A 48 19.400 -6.428 17.693 1.00 0.00 H ATOM 643 HB3 PRO A 48 20.855 -5.937 18.591 1.00 0.00 H ATOM 644 N SER A 49 16.895 -4.212 18.184 1.00 18.48 N ATOM 645 CA SER A 49 15.647 -4.165 17.426 1.00 18.48 C ATOM 646 C SER A 49 14.560 -3.379 18.141 1.00 18.81 C ATOM 647 O SER A 49 14.539 -3.286 19.385 1.00 18.54 O ATOM 648 CB SER A 49 15.148 -5.580 17.110 1.00 18.53 C ATOM 649 OG SER A 49 14.971 -6.337 18.294 1.00 17.28 O ATOM 650 HA SER A 49 15.869 -3.644 16.495 1.00 0.00 H ATOM 651 HB2 SER A 49 15.877 -6.081 16.473 1.00 0.00 H ATOM 652 HB3 SER A 49 14.195 -5.512 16.585 1.00 0.00 H ATOM 653 HG SER A 49 14.306 -5.889 18.874 1.00 0.00 H ATOM 654 H SER A 49 16.860 -4.206 19.223 1.00 0.00 H ATOM 655 N ALA A 50 13.665 -2.798 17.337 1.00 18.22 N ATOM 656 CA ALA A 50 12.512 -2.060 17.837 1.00 17.78 C ATOM 657 C ALA A 50 11.557 -3.037 18.507 1.00 17.72 C ATOM 658 O ALA A 50 11.442 -4.198 18.091 1.00 17.67 O ATOM 659 CB ALA A 50 11.821 -1.327 16.710 1.00 17.21 C ATOM 660 HA ALA A 50 12.841 -1.317 18.563 1.00 0.00 H ATOM 661 HB1 ALA A 50 12.519 -0.626 16.253 1.00 0.00 H ATOM 662 HB2 ALA A 50 11.484 -2.046 15.963 1.00 0.00 H ATOM 663 HB3 ALA A 50 10.963 -0.782 17.105 1.00 0.00 H ATOM 664 H ALA A 50 13.797 -2.876 16.308 1.00 0.00 H ATOM 665 N GLY A 51 10.903 -2.585 19.569 1.00 17.46 N ATOM 666 CA GLY A 51 9.904 -3.416 20.244 1.00 16.94 C ATOM 667 C GLY A 51 9.838 -3.100 21.716 1.00 17.14 C ATOM 668 O GLY A 51 10.449 -2.138 22.178 1.00 16.72 O ATOM 669 HA3 GLY A 51 10.169 -4.466 20.117 1.00 0.00 H ATOM 670 HA2 GLY A 51 8.927 -3.233 19.796 1.00 0.00 H ATOM 671 H GLY A 51 11.102 -1.629 19.926 1.00 0.00 H ATOM 672 N THR A 52 9.097 -3.910 22.460 1.00 17.20 N ATOM 673 CA THR A 52 8.901 -3.618 23.885 1.00 17.55 C ATOM 674 C THR A 52 9.857 -4.485 24.703 1.00 17.68 C ATOM 675 O THR A 52 9.937 -5.706 24.502 1.00 18.78 O ATOM 676 CB THR A 52 7.394 -3.727 24.286 1.00 18.10 C ATOM 677 OG1 THR A 52 6.609 -2.898 23.409 1.00 17.10 O ATOM 678 CG2 THR A 52 7.151 -3.256 25.728 1.00 18.33 C ATOM 679 HA THR A 52 9.155 -2.581 24.107 1.00 0.00 H ATOM 680 HB THR A 52 7.107 -4.775 24.206 1.00 0.00 H ATOM 681 HG1 THR A 52 6.908 -1.958 23.491 1.00 0.00 H ATOM 682 HG23 THR A 52 7.736 -3.870 26.413 1.00 0.00 H ATOM 683 HG21 THR A 52 7.453 -2.213 25.824 1.00 0.00 H ATOM 684 HG22 THR A 52 6.092 -3.352 25.967 1.00 0.00 H ATOM 685 H THR A 52 8.656 -4.750 22.035 1.00 0.00 H ATOM 686 N TYR A 53 10.633 -3.840 25.574 1.00 17.26 N ATOM 687 CA TYR A 53 11.671 -4.516 26.360 1.00 16.43 C ATOM 688 C TYR A 53 11.272 -4.582 27.830 1.00 16.36 C ATOM 689 O TYR A 53 10.607 -3.671 28.348 1.00 15.29 O ATOM 690 CB TYR A 53 13.016 -3.787 26.206 1.00 16.72 C ATOM 691 CG TYR A 53 13.691 -4.070 24.882 1.00 16.73 C ATOM 692 CD1 TYR A 53 13.297 -3.400 23.729 1.00 16.66 C ATOM 693 CD2 TYR A 53 14.704 -5.025 24.777 1.00 17.75 C ATOM 694 CE1 TYR A 53 13.889 -3.655 22.503 1.00 17.09 C ATOM 695 CE2 TYR A 53 15.320 -5.299 23.524 1.00 17.47 C ATOM 696 CZ TYR A 53 14.888 -4.603 22.396 1.00 17.26 C ATOM 697 OH TYR A 53 15.460 -4.829 21.154 1.00 17.48 O ATOM 698 HA TYR A 53 11.779 -5.534 25.985 1.00 0.00 H ATOM 699 HB3 TYR A 53 13.679 -4.106 27.010 1.00 0.00 H ATOM 700 HB2 TYR A 53 12.841 -2.714 26.285 1.00 0.00 H ATOM 701 HD2 TYR A 53 15.027 -5.567 25.666 1.00 0.00 H ATOM 702 HE2 TYR A 53 16.116 -6.040 23.447 1.00 0.00 H ATOM 703 HE1 TYR A 53 13.565 -3.105 21.619 1.00 0.00 H ATOM 704 HD1 TYR A 53 12.503 -2.656 23.791 1.00 0.00 H ATOM 705 HH TYR A 53 15.026 -4.247 20.481 1.00 0.00 H ATOM 706 H TYR A 53 10.497 -2.817 25.701 1.00 0.00 H ATOM 707 N ASP A 54 11.653 -5.674 28.489 1.00 16.02 N ATOM 708 CA ASP A 54 11.513 -5.779 29.932 1.00 16.28 C ATOM 709 C ASP A 54 12.716 -5.085 30.575 1.00 15.89 C ATOM 710 O ASP A 54 13.847 -5.550 30.461 1.00 16.16 O ATOM 711 CB ASP A 54 11.462 -7.244 30.386 1.00 17.24 C ATOM 712 CG ASP A 54 10.137 -7.929 30.049 1.00 19.50 C ATOM 713 OD1 ASP A 54 9.065 -7.298 30.129 1.00 20.50 O ATOM 714 OD2 ASP A 54 10.182 -9.119 29.723 1.00 23.89 O ATOM 715 HA ASP A 54 10.579 -5.307 30.236 1.00 0.00 H ATOM 716 HB2 ASP A 54 12.269 -7.788 29.895 1.00 0.00 H ATOM 717 HB3 ASP A 54 11.606 -7.278 31.466 1.00 0.00 H ATOM 718 H ASP A 54 12.060 -6.471 27.959 1.00 0.00 H ATOM 719 N VAL A 55 12.466 -3.964 31.238 1.00 15.19 N ATOM 720 CA VAL A 55 13.530 -3.183 31.861 1.00 13.98 C ATOM 721 C VAL A 55 13.506 -3.504 33.342 1.00 14.07 C ATOM 722 O VAL A 55 12.555 -3.184 34.041 1.00 14.16 O ATOM 723 CB VAL A 55 13.357 -1.655 31.606 1.00 13.78 C ATOM 724 CG1 VAL A 55 14.355 -0.842 32.446 1.00 13.14 C ATOM 725 CG2 VAL A 55 13.541 -1.350 30.129 1.00 13.00 C ATOM 726 HA VAL A 55 14.494 -3.446 31.425 1.00 0.00 H ATOM 727 HB VAL A 55 12.349 -1.368 31.906 1.00 0.00 H ATOM 728 HG11 VAL A 55 14.186 -1.043 33.504 1.00 0.00 H ATOM 729 HG12 VAL A 55 15.372 -1.129 32.179 1.00 0.00 H ATOM 730 HG13 VAL A 55 14.213 0.221 32.249 1.00 0.00 H ATOM 731 HG21 VAL A 55 14.540 -1.655 29.818 1.00 0.00 H ATOM 732 HG22 VAL A 55 12.796 -1.897 29.551 1.00 0.00 H ATOM 733 HG23 VAL A 55 13.418 -0.280 29.962 1.00 0.00 H ATOM 734 H VAL A 55 11.484 -3.632 31.316 1.00 0.00 H ATOM 735 N VAL A 56 14.546 -4.180 33.797 1.00 13.90 N ATOM 736 CA VAL A 56 14.611 -4.601 35.178 1.00 14.00 C ATOM 737 C VAL A 56 15.318 -3.519 36.004 1.00 13.56 C ATOM 738 O VAL A 56 16.510 -3.253 35.823 1.00 13.40 O ATOM 739 CB VAL A 56 15.276 -5.985 35.306 1.00 14.10 C ATOM 740 CG1 VAL A 56 15.248 -6.454 36.762 1.00 13.98 C ATOM 741 CG2 VAL A 56 14.559 -6.997 34.376 1.00 14.99 C ATOM 742 HA VAL A 56 13.603 -4.718 35.575 1.00 0.00 H ATOM 743 HB VAL A 56 16.319 -5.915 34.999 1.00 0.00 H ATOM 744 HG11 VAL A 56 15.789 -5.740 37.383 1.00 0.00 H ATOM 745 HG12 VAL A 56 14.214 -6.522 37.101 1.00 0.00 H ATOM 746 HG13 VAL A 56 15.721 -7.433 36.836 1.00 0.00 H ATOM 747 HG21 VAL A 56 13.510 -7.072 34.662 1.00 0.00 H ATOM 748 HG22 VAL A 56 14.632 -6.655 33.344 1.00 0.00 H ATOM 749 HG23 VAL A 56 15.033 -7.974 34.470 1.00 0.00 H ATOM 750 H VAL A 56 15.329 -4.412 33.153 1.00 0.00 H ATOM 751 N VAL A 57 14.545 -2.886 36.881 1.00 12.60 N ATOM 752 CA VAL A 57 15.024 -1.813 37.754 1.00 12.30 C ATOM 753 C VAL A 57 15.437 -2.419 39.112 1.00 12.23 C ATOM 754 O VAL A 57 14.635 -3.077 39.777 1.00 12.47 O ATOM 755 CB VAL A 57 13.900 -0.781 37.954 1.00 12.41 C ATOM 756 CG1 VAL A 57 14.351 0.413 38.814 1.00 13.23 C ATOM 757 CG2 VAL A 57 13.340 -0.329 36.594 1.00 11.20 C ATOM 758 HA VAL A 57 15.884 -1.318 37.304 1.00 0.00 H ATOM 759 HB VAL A 57 13.097 -1.267 38.508 1.00 0.00 H ATOM 760 HG11 VAL A 57 14.661 0.055 39.796 1.00 0.00 H ATOM 761 HG12 VAL A 57 15.188 0.914 38.328 1.00 0.00 H ATOM 762 HG13 VAL A 57 13.522 1.112 38.926 1.00 0.00 H ATOM 763 HG21 VAL A 57 14.138 0.124 36.006 1.00 0.00 H ATOM 764 HG22 VAL A 57 12.940 -1.192 36.062 1.00 0.00 H ATOM 765 HG23 VAL A 57 12.546 0.401 36.754 1.00 0.00 H ATOM 766 H VAL A 57 13.546 -3.168 36.951 1.00 0.00 H ATOM 767 N ARG A 58 16.683 -2.196 39.520 1.00 12.40 N ATOM 768 CA ARG A 58 17.155 -2.665 40.832 1.00 12.03 C ATOM 769 C ARG A 58 17.221 -1.460 41.777 1.00 12.55 C ATOM 770 O ARG A 58 17.936 -0.480 41.518 1.00 11.74 O ATOM 771 CB ARG A 58 18.521 -3.362 40.727 1.00 12.50 C ATOM 772 CG ARG A 58 18.967 -4.083 42.017 1.00 10.61 C ATOM 773 CD ARG A 58 20.129 -5.053 41.732 1.00 11.80 C ATOM 774 NE ARG A 58 20.455 -5.890 42.897 1.00 10.61 N ATOM 775 CZ ARG A 58 21.446 -5.654 43.760 1.00 12.95 C ATOM 776 NH1 ARG A 58 22.246 -4.602 43.607 1.00 10.92 N ATOM 777 NH2 ARG A 58 21.649 -6.491 44.780 1.00 12.62 N ATOM 778 HA ARG A 58 16.459 -3.407 41.223 1.00 0.00 H ATOM 779 HB2 ARG A 58 18.468 -4.098 39.925 1.00 0.00 H ATOM 780 HB3 ARG A 58 19.270 -2.610 40.479 1.00 0.00 H ATOM 781 HG2 ARG A 58 19.292 -3.341 42.746 1.00 0.00 H ATOM 782 HG3 ARG A 58 18.125 -4.644 42.422 1.00 0.00 H ATOM 783 HD2 ARG A 58 21.011 -4.474 41.458 1.00 0.00 H ATOM 784 HD3 ARG A 58 19.849 -5.701 40.901 1.00 0.00 H ATOM 785 HE ARG A 58 19.867 -6.732 43.061 1.00 0.00 H ATOM 786 HH12 ARG A 58 23.014 -4.430 44.287 1.00 0.00 H ATOM 787 HH11 ARG A 58 22.103 -3.952 42.808 1.00 0.00 H ATOM 788 HH22 ARG A 58 22.420 -6.311 45.455 1.00 0.00 H ATOM 789 HH21 ARG A 58 21.036 -7.323 44.900 1.00 0.00 H ATOM 790 H ARG A 58 17.337 -1.679 38.898 1.00 0.00 H ATOM 791 N TYR A 59 16.471 -1.559 42.872 1.00 11.78 N ATOM 792 CA TYR A 59 16.170 -0.405 43.717 1.00 12.73 C ATOM 793 C TYR A 59 16.031 -0.837 45.177 1.00 12.39 C ATOM 794 O TYR A 59 15.919 -2.027 45.486 1.00 12.90 O ATOM 795 CB TYR A 59 14.857 0.246 43.245 1.00 12.51 C ATOM 796 CG TYR A 59 13.635 -0.589 43.597 1.00 13.49 C ATOM 797 CD1 TYR A 59 12.887 -0.317 44.751 1.00 13.24 C ATOM 798 CD2 TYR A 59 13.241 -1.667 42.789 1.00 12.44 C ATOM 799 CE1 TYR A 59 11.791 -1.088 45.094 1.00 11.72 C ATOM 800 CE2 TYR A 59 12.143 -2.450 43.127 1.00 11.22 C ATOM 801 CZ TYR A 59 11.421 -2.146 44.275 1.00 13.96 C ATOM 802 OH TYR A 59 10.332 -2.916 44.616 1.00 15.64 O ATOM 803 HA TYR A 59 16.986 0.313 43.639 1.00 0.00 H ATOM 804 HB3 TYR A 59 14.897 0.370 42.163 1.00 0.00 H ATOM 805 HB2 TYR A 59 14.761 1.223 43.718 1.00 0.00 H ATOM 806 HD2 TYR A 59 13.804 -1.894 41.884 1.00 0.00 H ATOM 807 HE2 TYR A 59 11.852 -3.292 42.499 1.00 0.00 H ATOM 808 HE1 TYR A 59 11.224 -0.867 45.998 1.00 0.00 H ATOM 809 HD1 TYR A 59 13.175 0.518 45.390 1.00 0.00 H ATOM 810 HH TYR A 59 9.933 -2.569 45.453 1.00 0.00 H ATOM 811 H TYR A 59 16.086 -2.489 43.135 1.00 0.00 H ATOM 812 N ALA A 60 16.003 0.151 46.063 1.00 12.79 N ATOM 813 CA ALA A 60 15.719 -0.077 47.457 1.00 13.14 C ATOM 814 C ALA A 60 14.869 1.069 48.002 1.00 13.13 C ATOM 815 O ALA A 60 14.975 2.207 47.536 1.00 13.07 O ATOM 816 CB ALA A 60 17.036 -0.208 48.259 1.00 13.41 C ATOM 817 HA ALA A 60 15.163 -1.009 47.562 1.00 0.00 H ATOM 818 HB1 ALA A 60 17.614 -1.047 47.871 1.00 0.00 H ATOM 819 HB2 ALA A 60 17.614 0.711 48.159 1.00 0.00 H ATOM 820 HB3 ALA A 60 16.804 -0.380 49.310 1.00 0.00 H ATOM 821 H ALA A 60 16.192 1.121 45.740 1.00 0.00 H ATOM 822 N ASN A 61 14.037 0.742 48.991 1.00 13.41 N ATOM 823 CA ASN A 61 13.147 1.696 49.669 1.00 14.05 C ATOM 824 C ASN A 61 12.962 1.286 51.140 1.00 13.70 C ATOM 825 O ASN A 61 12.096 0.477 51.479 1.00 13.18 O ATOM 826 CB ASN A 61 11.802 1.809 48.912 1.00 14.04 C ATOM 827 CG ASN A 61 10.807 2.764 49.573 1.00 14.52 C ATOM 828 OD1 ASN A 61 11.111 3.431 50.573 1.00 15.20 O ATOM 829 ND2 ASN A 61 9.596 2.835 49.001 1.00 11.94 N ATOM 830 HA ASN A 61 13.599 2.688 49.662 1.00 0.00 H ATOM 831 HB2 ASN A 61 12.003 2.165 47.902 1.00 0.00 H ATOM 832 HB3 ASN A 61 11.349 0.819 48.863 1.00 0.00 H ATOM 833 HD22 ASN A 61 9.382 2.258 48.163 1.00 0.00 H ATOM 834 HD21 ASN A 61 8.871 3.467 49.396 1.00 0.00 H ATOM 835 H ASN A 61 14.016 -0.250 49.302 1.00 0.00 H ATOM 836 N GLY A 62 13.817 1.838 51.998 1.00 14.42 N ATOM 837 CA GLY A 62 13.794 1.551 53.432 1.00 14.13 C ATOM 838 C GLY A 62 12.807 2.424 54.189 1.00 14.79 C ATOM 839 O GLY A 62 13.140 2.974 55.236 1.00 14.07 O ATOM 840 HA3 GLY A 62 14.792 1.719 53.838 1.00 0.00 H ATOM 841 HA2 GLY A 62 13.517 0.507 53.574 1.00 0.00 H ATOM 842 H GLY A 62 14.531 2.501 51.634 1.00 0.00 H ATOM 843 N THR A 63 11.604 2.574 53.623 1.00 15.10 N ATOM 844 CA THR A 63 10.468 3.254 54.265 1.00 15.16 C ATOM 845 C THR A 63 9.181 2.483 53.973 1.00 15.31 C ATOM 846 O THR A 63 9.168 1.592 53.122 1.00 14.58 O ATOM 847 CB THR A 63 10.275 4.710 53.771 1.00 15.29 C ATOM 848 OG1 THR A 63 9.660 4.707 52.461 1.00 14.66 O ATOM 849 CG2 THR A 63 11.596 5.491 53.773 1.00 16.22 C ATOM 850 HA THR A 63 10.687 3.284 55.332 1.00 0.00 H ATOM 851 HB THR A 63 9.610 5.224 54.465 1.00 0.00 H ATOM 852 HG1 THR A 63 10.242 4.220 51.825 1.00 0.00 H ATOM 853 HG23 THR A 63 12.027 5.470 54.774 1.00 0.00 H ATOM 854 HG21 THR A 63 12.289 5.032 53.068 1.00 0.00 H ATOM 855 HG22 THR A 63 11.407 6.523 53.479 1.00 0.00 H ATOM 856 H THR A 63 11.463 2.185 52.669 1.00 0.00 H ATOM 857 N THR A 64 8.095 2.846 54.664 1.00 15.33 N ATOM 858 CA THR A 64 6.787 2.206 54.464 1.00 16.04 C ATOM 859 C THR A 64 5.940 2.873 53.357 1.00 16.43 C ATOM 860 O THR A 64 4.820 2.445 53.074 1.00 17.12 O ATOM 861 CB THR A 64 5.964 2.227 55.775 1.00 15.27 C ATOM 862 OG1 THR A 64 5.922 3.572 56.265 1.00 16.03 O ATOM 863 CG2 THR A 64 6.593 1.316 56.825 1.00 15.74 C ATOM 864 HA THR A 64 7.007 1.184 54.155 1.00 0.00 H ATOM 865 HB THR A 64 4.956 1.865 55.573 1.00 0.00 H ATOM 866 HG1 THR A 64 5.398 3.600 57.104 1.00 0.00 H ATOM 867 HG23 THR A 64 6.622 0.294 56.447 1.00 0.00 H ATOM 868 HG21 THR A 64 7.607 1.655 57.038 1.00 0.00 H ATOM 869 HG22 THR A 64 5.998 1.350 57.737 1.00 0.00 H ATOM 870 H THR A 64 8.179 3.608 55.367 1.00 0.00 H ATOM 871 N THR A 65 6.456 3.930 52.752 1.00 17.22 N ATOM 872 CA THR A 65 5.704 4.657 51.730 1.00 18.29 C ATOM 873 C THR A 65 6.266 4.351 50.343 1.00 18.46 C ATOM 874 O THR A 65 7.471 4.505 50.122 1.00 18.59 O ATOM 875 CB THR A 65 5.742 6.188 51.994 1.00 18.49 C ATOM 876 OG1 THR A 65 5.189 6.467 53.288 1.00 19.57 O ATOM 877 CG2 THR A 65 4.955 6.975 50.927 1.00 19.66 C ATOM 878 HA THR A 65 4.666 4.328 51.775 1.00 0.00 H ATOM 879 HB THR A 65 6.784 6.505 51.949 1.00 0.00 H ATOM 880 HG1 THR A 65 5.720 6.000 53.980 1.00 0.00 H ATOM 881 HG23 THR A 65 5.372 6.766 49.942 1.00 0.00 H ATOM 882 HG21 THR A 65 3.908 6.671 50.952 1.00 0.00 H ATOM 883 HG22 THR A 65 5.030 8.042 51.136 1.00 0.00 H ATOM 884 H THR A 65 7.412 4.249 53.007 1.00 0.00 H ATOM 885 N SER A 66 5.397 3.918 49.420 1.00 18.67 N ATOM 886 CA SER A 66 5.794 3.721 48.031 1.00 18.55 C ATOM 887 C SER A 66 6.325 5.021 47.430 1.00 18.52 C ATOM 888 O SER A 66 5.855 6.116 47.761 1.00 19.08 O ATOM 889 CB SER A 66 4.631 3.177 47.201 1.00 18.82 C ATOM 890 OG SER A 66 4.317 1.838 47.566 1.00 18.69 O ATOM 891 HA SER A 66 6.596 2.983 48.012 1.00 0.00 H ATOM 892 HB2 SER A 66 4.905 3.203 46.146 1.00 0.00 H ATOM 893 HB3 SER A 66 3.755 3.804 47.363 1.00 0.00 H ATOM 894 HG SER A 66 3.562 1.515 47.013 1.00 0.00 H ATOM 895 H SER A 66 4.416 3.718 49.701 1.00 0.00 H ATOM 896 N ARG A 67 7.312 4.886 46.558 1.00 17.90 N ATOM 897 CA ARG A 67 7.912 6.019 45.888 1.00 17.60 C ATOM 898 C ARG A 67 7.796 5.841 44.369 1.00 16.79 C ATOM 899 O ARG A 67 8.647 5.212 43.737 1.00 17.80 O ATOM 900 CB ARG A 67 9.350 6.185 46.338 1.00 17.43 C ATOM 901 CG ARG A 67 9.422 6.538 47.816 1.00 18.70 C ATOM 902 CD ARG A 67 10.737 7.093 48.131 1.00 20.25 C ATOM 903 NE ARG A 67 10.887 7.453 49.537 1.00 20.67 N ATOM 904 CZ ARG A 67 12.058 7.787 50.071 1.00 20.22 C ATOM 905 NH1 ARG A 67 13.155 7.772 49.322 1.00 19.96 N ATOM 906 NH2 ARG A 67 12.140 8.127 51.347 1.00 19.93 N ATOM 907 HA ARG A 67 7.382 6.933 46.155 1.00 0.00 H ATOM 908 HB2 ARG A 67 9.887 5.252 46.168 1.00 0.00 H ATOM 909 HB3 ARG A 67 9.816 6.982 45.758 1.00 0.00 H ATOM 910 HG2 ARG A 67 8.653 7.274 48.050 1.00 0.00 H ATOM 911 HG3 ARG A 67 9.256 5.640 48.411 1.00 0.00 H ATOM 912 HD2 ARG A 67 10.890 7.987 47.526 1.00 0.00 H ATOM 913 HD3 ARG A 67 11.495 6.351 47.880 1.00 0.00 H ATOM 914 HE ARG A 67 10.044 7.448 50.146 1.00 0.00 H ATOM 915 HH12 ARG A 67 14.072 8.033 49.738 1.00 0.00 H ATOM 916 HH11 ARG A 67 13.097 7.499 48.320 1.00 0.00 H ATOM 917 HH22 ARG A 67 13.059 8.387 51.758 1.00 0.00 H ATOM 918 HH21 ARG A 67 11.285 8.134 51.939 1.00 0.00 H ATOM 919 H ARG A 67 7.668 3.932 46.347 1.00 0.00 H ATOM 920 N PRO A 68 6.715 6.377 43.789 1.00 16.17 N ATOM 921 CA PRO A 68 6.423 6.199 42.369 1.00 15.31 C ATOM 922 C PRO A 68 7.381 6.946 41.420 1.00 14.67 C ATOM 923 O PRO A 68 7.904 8.024 41.756 1.00 14.25 O ATOM 924 CB PRO A 68 4.994 6.719 42.244 1.00 15.58 C ATOM 925 CG PRO A 68 4.872 7.730 43.329 1.00 16.02 C ATOM 926 CD PRO A 68 5.684 7.183 44.471 1.00 16.05 C ATOM 927 HA PRO A 68 6.549 5.159 42.067 1.00 0.00 H ATOM 928 HD3 PRO A 68 6.136 7.987 45.052 1.00 0.00 H ATOM 929 HD2 PRO A 68 5.072 6.563 45.126 1.00 0.00 H ATOM 930 HG3 PRO A 68 3.830 7.851 43.624 1.00 0.00 H ATOM 931 HG2 PRO A 68 5.270 8.691 43.003 1.00 0.00 H ATOM 932 HB2 PRO A 68 4.834 7.178 41.269 1.00 0.00 H ATOM 933 HB3 PRO A 68 4.276 5.912 42.386 1.00 0.00 H ATOM 934 N LEU A 69 7.627 6.331 40.268 1.00 13.52 N ATOM 935 CA LEU A 69 8.374 6.931 39.157 1.00 13.11 C ATOM 936 C LEU A 69 7.571 6.890 37.853 1.00 13.31 C ATOM 937 O LEU A 69 6.826 5.935 37.607 1.00 13.09 O ATOM 938 CB LEU A 69 9.695 6.191 38.942 1.00 12.84 C ATOM 939 CG LEU A 69 10.638 6.055 40.149 1.00 12.73 C ATOM 940 CD1 LEU A 69 11.855 5.232 39.797 1.00 10.46 C ATOM 941 CD2 LEU A 69 11.050 7.396 40.682 1.00 13.04 C ATOM 942 HA LEU A 69 8.566 7.971 39.422 1.00 0.00 H ATOM 943 HB2 LEU A 69 9.454 5.184 38.601 1.00 0.00 H ATOM 944 HB3 LEU A 69 10.241 6.717 38.159 1.00 0.00 H ATOM 945 HG LEU A 69 10.086 5.538 40.933 1.00 0.00 H ATOM 946 HD21 LEU A 69 11.568 7.953 39.901 1.00 0.00 H ATOM 947 HD22 LEU A 69 10.164 7.948 40.997 1.00 0.00 H ATOM 948 HD23 LEU A 69 11.716 7.258 41.534 1.00 0.00 H ATOM 949 HD11 LEU A 69 11.541 4.236 39.485 1.00 0.00 H ATOM 950 HD12 LEU A 69 12.396 5.715 38.983 1.00 0.00 H ATOM 951 HD13 LEU A 69 12.503 5.153 40.670 1.00 0.00 H ATOM 952 H LEU A 69 7.267 5.363 40.146 1.00 0.00 H ATOM 953 N ASP A 70 7.724 7.937 37.039 1.00 13.28 N ATOM 954 CA ASP A 70 7.235 7.952 35.664 1.00 13.34 C ATOM 955 C ASP A 70 8.411 7.605 34.747 1.00 13.50 C ATOM 956 O ASP A 70 9.468 8.211 34.853 1.00 13.47 O ATOM 957 CB ASP A 70 6.689 9.345 35.292 1.00 13.00 C ATOM 958 CG ASP A 70 5.254 9.585 35.776 1.00 14.48 C ATOM 959 OD1 ASP A 70 4.665 8.731 36.474 1.00 13.56 O ATOM 960 OD2 ASP A 70 4.712 10.663 35.459 1.00 18.00 O ATOM 961 HA ASP A 70 6.425 7.231 35.554 1.00 0.00 H ATOM 962 HB2 ASP A 70 7.336 10.101 35.738 1.00 0.00 H ATOM 963 HB3 ASP A 70 6.710 9.446 34.207 1.00 0.00 H ATOM 964 H ASP A 70 8.214 8.780 37.401 1.00 0.00 H ATOM 965 N PHE A 71 8.237 6.610 33.880 1.00 14.12 N ATOM 966 CA PHE A 71 9.262 6.260 32.891 1.00 15.19 C ATOM 967 C PHE A 71 8.905 6.847 31.531 1.00 16.20 C ATOM 968 O PHE A 71 7.752 6.767 31.091 1.00 16.49 O ATOM 969 CB PHE A 71 9.439 4.729 32.775 1.00 15.21 C ATOM 970 CG PHE A 71 10.095 4.091 33.985 1.00 13.95 C ATOM 971 CD1 PHE A 71 9.388 3.947 35.188 1.00 13.72 C ATOM 972 CD2 PHE A 71 11.407 3.630 33.922 1.00 14.42 C ATOM 973 CE1 PHE A 71 9.996 3.359 36.319 1.00 13.44 C ATOM 974 CE2 PHE A 71 12.025 3.029 35.048 1.00 13.20 C ATOM 975 CZ PHE A 71 11.313 2.899 36.244 1.00 12.81 C ATOM 976 HA PHE A 71 10.207 6.684 33.230 1.00 0.00 H ATOM 977 HB2 PHE A 71 8.455 4.279 32.641 1.00 0.00 H ATOM 978 HB3 PHE A 71 10.055 4.520 31.900 1.00 0.00 H ATOM 979 HD2 PHE A 71 11.968 3.733 32.993 1.00 0.00 H ATOM 980 HE2 PHE A 71 13.052 2.670 34.981 1.00 0.00 H ATOM 981 HZ PHE A 71 11.783 2.441 37.114 1.00 0.00 H ATOM 982 HE1 PHE A 71 9.438 3.264 37.250 1.00 0.00 H ATOM 983 HD1 PHE A 71 8.356 4.293 35.251 1.00 0.00 H ATOM 984 H PHE A 71 7.351 6.066 33.905 1.00 0.00 H ATOM 985 N SER A 72 9.894 7.427 30.857 1.00 17.43 N ATOM 986 CA SER A 72 9.680 7.972 29.520 1.00 18.61 C ATOM 987 C SER A 72 10.873 7.662 28.622 1.00 19.77 C ATOM 988 O SER A 72 11.992 7.472 29.106 1.00 19.06 O ATOM 989 CB SER A 72 9.426 9.475 29.585 1.00 18.67 C ATOM 990 OG SER A 72 10.534 10.148 30.155 1.00 20.05 O ATOM 991 HA SER A 72 8.797 7.499 29.092 1.00 0.00 H ATOM 992 HB2 SER A 72 8.542 9.662 30.194 1.00 0.00 H ATOM 993 HB3 SER A 72 9.258 9.853 28.577 1.00 0.00 H ATOM 994 HG SER A 72 10.688 9.810 31.073 1.00 0.00 H ATOM 995 H SER A 72 10.837 7.493 31.290 1.00 0.00 H ATOM 996 N VAL A 73 10.619 7.590 27.318 1.00 20.86 N ATOM 997 CA VAL A 73 11.671 7.311 26.345 1.00 23.09 C ATOM 998 C VAL A 73 11.730 8.461 25.364 1.00 24.71 C ATOM 999 O VAL A 73 10.733 8.783 24.707 1.00 25.14 O ATOM 1000 CB VAL A 73 11.488 5.948 25.641 1.00 22.74 C ATOM 1001 CG1 VAL A 73 12.521 5.747 24.530 1.00 23.25 C ATOM 1002 CG2 VAL A 73 11.594 4.844 26.633 1.00 22.75 C ATOM 1003 HA VAL A 73 12.625 7.229 26.867 1.00 0.00 H ATOM 1004 HB VAL A 73 10.497 5.938 25.187 1.00 0.00 H ATOM 1005 HG11 VAL A 73 12.412 6.537 23.787 1.00 0.00 H ATOM 1006 HG12 VAL A 73 13.523 5.784 24.957 1.00 0.00 H ATOM 1007 HG13 VAL A 73 12.361 4.778 24.058 1.00 0.00 H ATOM 1008 HG21 VAL A 73 12.576 4.875 27.106 1.00 0.00 H ATOM 1009 HG22 VAL A 73 10.820 4.963 27.391 1.00 0.00 H ATOM 1010 HG23 VAL A 73 11.463 3.888 26.126 1.00 0.00 H ATOM 1011 H VAL A 73 9.645 7.736 26.983 1.00 0.00 H ATOM 1012 N ASN A 74 12.901 9.101 25.328 1.00 26.87 N ATOM 1013 CA ASN A 74 13.186 10.268 24.487 1.00 28.38 C ATOM 1014 C ASN A 74 11.964 11.187 24.328 1.00 28.57 C ATOM 1015 O ASN A 74 11.515 11.449 23.212 1.00 28.91 O ATOM 1016 CB ASN A 74 13.791 9.835 23.124 1.00 29.36 C ATOM 1017 CG ASN A 74 15.043 8.923 23.275 1.00 31.26 C ATOM 1018 OD1 ASN A 74 16.101 9.398 23.721 1.00 36.30 O ATOM 1019 ND2 ASN A 74 14.987 7.730 22.924 1.00 33.61 N ATOM 1020 HA ASN A 74 13.939 10.867 24.999 1.00 0.00 H ATOM 1021 HB2 ASN A 74 13.031 9.291 22.564 1.00 0.00 H ATOM 1022 HB3 ASN A 74 14.078 10.730 22.571 1.00 0.00 H ATOM 1023 HD22 ASN A 74 14.098 7.339 22.552 1.00 0.00 H ATOM 1024 HD21 ASN A 74 15.829 7.125 23.003 1.00 0.00 H ATOM 1025 H ASN A 74 13.665 8.747 25.939 1.00 0.00 H ATOM 1026 N GLY A 75 11.414 11.631 25.463 1.00 28.30 N ATOM 1027 CA GLY A 75 10.338 12.616 25.503 1.00 27.70 C ATOM 1028 C GLY A 75 8.922 12.123 25.784 1.00 27.19 C ATOM 1029 O GLY A 75 8.063 12.900 26.208 1.00 28.25 O ATOM 1030 HA3 GLY A 75 10.321 13.116 24.535 1.00 0.00 H ATOM 1031 HA2 GLY A 75 10.589 13.339 26.279 1.00 0.00 H ATOM 1032 H GLY A 75 11.772 11.255 26.364 1.00 0.00 H ATOM 1033 N SER A 76 8.677 10.837 25.561 1.00 26.09 N ATOM 1034 CA SER A 76 7.328 10.287 25.580 1.00 24.53 C ATOM 1035 C SER A 76 7.101 9.297 26.724 1.00 23.12 C ATOM 1036 O SER A 76 7.909 8.397 26.929 1.00 21.54 O ATOM 1037 CB SER A 76 7.043 9.611 24.245 1.00 24.98 C ATOM 1038 OG SER A 76 7.018 10.580 23.211 1.00 27.03 O ATOM 1039 HA SER A 76 6.641 11.117 25.745 1.00 0.00 H ATOM 1040 HB2 SER A 76 6.077 9.108 24.293 1.00 0.00 H ATOM 1041 HB3 SER A 76 7.823 8.879 24.036 1.00 0.00 H ATOM 1042 HG SER A 76 6.832 10.134 22.347 1.00 0.00 H ATOM 1043 H SER A 76 9.476 10.200 25.366 1.00 0.00 H ATOM 1044 N ILE A 77 5.994 9.467 27.454 1.00 21.72 N ATOM 1045 CA ILE A 77 5.655 8.555 28.561 1.00 20.60 C ATOM 1046 C ILE A 77 5.633 7.067 28.160 1.00 19.69 C ATOM 1047 O ILE A 77 4.999 6.681 27.160 1.00 19.23 O ATOM 1048 CB ILE A 77 4.336 8.980 29.294 1.00 20.71 C ATOM 1049 CG1 ILE A 77 4.270 8.379 30.705 1.00 20.74 C ATOM 1050 CG2 ILE A 77 3.093 8.644 28.457 1.00 21.44 C ATOM 1051 CD1 ILE A 77 5.289 8.999 31.681 1.00 22.31 C ATOM 1052 HA ILE A 77 6.474 8.654 29.273 1.00 0.00 H ATOM 1053 HB ILE A 77 4.350 10.064 29.409 1.00 0.00 H ATOM 1054 HG12 ILE A 77 3.268 8.539 31.103 1.00 0.00 H ATOM 1055 HG13 ILE A 77 4.465 7.309 30.635 1.00 0.00 H ATOM 1056 HD11 ILE A 77 6.298 8.837 31.302 1.00 0.00 H ATOM 1057 HD12 ILE A 77 5.100 10.069 31.770 1.00 0.00 H ATOM 1058 HD13 ILE A 77 5.187 8.528 32.659 1.00 0.00 H ATOM 1059 HG21 ILE A 77 3.144 9.172 27.505 1.00 0.00 H ATOM 1060 HG22 ILE A 77 3.057 7.570 28.277 1.00 0.00 H ATOM 1061 HG23 ILE A 77 2.198 8.953 28.997 1.00 0.00 H ATOM 1062 H ILE A 77 5.358 10.260 27.236 1.00 0.00 H ATOM 1063 N SER A 78 6.346 6.247 28.937 1.00 18.31 N ATOM 1064 CA SER A 78 6.367 4.792 28.764 1.00 17.75 C ATOM 1065 C SER A 78 5.559 4.086 29.851 1.00 17.36 C ATOM 1066 O SER A 78 4.864 3.117 29.586 1.00 17.87 O ATOM 1067 CB SER A 78 7.796 4.250 28.811 1.00 17.47 C ATOM 1068 OG SER A 78 8.642 4.926 27.907 1.00 18.89 O ATOM 1069 HA SER A 78 5.924 4.592 27.789 1.00 0.00 H ATOM 1070 HB2 SER A 78 7.781 3.190 28.555 1.00 0.00 H ATOM 1071 HB3 SER A 78 8.188 4.373 29.821 1.00 0.00 H ATOM 1072 HG SER A 78 8.296 4.814 26.986 1.00 0.00 H ATOM 1073 H SER A 78 6.914 6.662 29.703 1.00 0.00 H ATOM 1074 N ALA A 79 5.699 4.560 31.085 1.00 16.71 N ATOM 1075 CA ALA A 79 5.015 3.992 32.237 1.00 16.33 C ATOM 1076 C ALA A 79 4.785 5.110 33.238 1.00 15.81 C ATOM 1077 O ALA A 79 5.705 5.839 33.590 1.00 16.11 O ATOM 1078 CB ALA A 79 5.833 2.863 32.867 1.00 15.90 C ATOM 1079 HA ALA A 79 4.064 3.559 31.926 1.00 0.00 H ATOM 1080 HB1 ALA A 79 5.988 2.074 32.131 1.00 0.00 H ATOM 1081 HB2 ALA A 79 6.797 3.253 33.193 1.00 0.00 H ATOM 1082 HB3 ALA A 79 5.294 2.460 33.725 1.00 0.00 H ATOM 1083 H ALA A 79 6.327 5.375 31.234 1.00 0.00 H ATOM 1084 N SER A 80 3.547 5.232 33.683 1.00 15.42 N ATOM 1085 CA SER A 80 3.116 6.332 34.532 1.00 15.06 C ATOM 1086 C SER A 80 2.745 5.774 35.918 1.00 14.19 C ATOM 1087 O SER A 80 2.011 4.801 36.020 1.00 13.17 O ATOM 1088 CB SER A 80 1.939 7.025 33.812 1.00 15.31 C ATOM 1089 OG SER A 80 1.182 7.861 34.653 1.00 18.97 O ATOM 1090 HA SER A 80 3.898 7.073 34.697 1.00 0.00 H ATOM 1091 HB2 SER A 80 1.281 6.256 33.406 1.00 0.00 H ATOM 1092 HB3 SER A 80 2.339 7.627 32.996 1.00 0.00 H ATOM 1093 HG SER A 80 0.803 7.325 35.394 1.00 0.00 H ATOM 1094 H SER A 80 2.849 4.509 33.414 1.00 0.00 H ATOM 1095 N GLY A 81 3.296 6.366 36.975 1.00 13.93 N ATOM 1096 CA GLY A 81 2.980 5.950 38.349 1.00 13.88 C ATOM 1097 C GLY A 81 3.361 4.517 38.689 1.00 13.94 C ATOM 1098 O GLY A 81 2.560 3.764 39.248 1.00 14.37 O ATOM 1099 HA3 GLY A 81 1.906 6.059 38.497 1.00 0.00 H ATOM 1100 HA2 GLY A 81 3.509 6.613 39.034 1.00 0.00 H ATOM 1101 H GLY A 81 3.969 7.145 36.825 1.00 0.00 H ATOM 1102 N VAL A 82 4.579 4.127 38.337 1.00 13.80 N ATOM 1103 CA VAL A 82 5.114 2.837 38.767 1.00 13.07 C ATOM 1104 C VAL A 82 5.514 2.972 40.216 1.00 14.10 C ATOM 1105 O VAL A 82 6.390 3.773 40.548 1.00 13.59 O ATOM 1106 CB VAL A 82 6.348 2.405 37.936 1.00 12.98 C ATOM 1107 CG1 VAL A 82 6.808 0.959 38.343 1.00 11.95 C ATOM 1108 CG2 VAL A 82 6.039 2.476 36.464 1.00 12.76 C ATOM 1109 HA VAL A 82 4.349 2.074 38.625 1.00 0.00 H ATOM 1110 HB VAL A 82 7.168 3.092 38.147 1.00 0.00 H ATOM 1111 HG11 VAL A 82 7.071 0.947 39.401 1.00 0.00 H ATOM 1112 HG12 VAL A 82 5.995 0.256 38.162 1.00 0.00 H ATOM 1113 HG13 VAL A 82 7.676 0.674 37.748 1.00 0.00 H ATOM 1114 HG21 VAL A 82 5.206 1.811 36.236 1.00 0.00 H ATOM 1115 HG22 VAL A 82 5.772 3.499 36.199 1.00 0.00 H ATOM 1116 HG23 VAL A 82 6.916 2.169 35.895 1.00 0.00 H ATOM 1117 H VAL A 82 5.164 4.750 37.744 1.00 0.00 H ATOM 1118 N ALA A 83 4.892 2.167 41.079 1.00 14.19 N ATOM 1119 CA ALA A 83 5.137 2.280 42.491 1.00 14.33 C ATOM 1120 C ALA A 83 6.373 1.462 42.860 1.00 14.24 C ATOM 1121 O ALA A 83 6.578 0.349 42.359 1.00 15.11 O ATOM 1122 CB ALA A 83 3.927 1.812 43.262 1.00 15.34 C ATOM 1123 HA ALA A 83 5.321 3.323 42.750 1.00 0.00 H ATOM 1124 HB1 ALA A 83 3.068 2.427 42.995 1.00 0.00 H ATOM 1125 HB2 ALA A 83 3.721 0.771 43.015 1.00 0.00 H ATOM 1126 HB3 ALA A 83 4.122 1.901 44.331 1.00 0.00 H ATOM 1127 H ALA A 83 4.224 1.452 40.727 1.00 0.00 H ATOM 1128 N PHE A 84 7.211 2.031 43.720 1.00 13.61 N ATOM 1129 CA PHE A 84 8.339 1.310 44.252 1.00 13.35 C ATOM 1130 C PHE A 84 8.149 1.199 45.764 1.00 13.41 C ATOM 1131 O PHE A 84 8.450 2.116 46.520 1.00 12.68 O ATOM 1132 CB PHE A 84 9.664 1.953 43.810 1.00 12.67 C ATOM 1133 CG PHE A 84 9.929 1.802 42.317 1.00 12.69 C ATOM 1134 CD1 PHE A 84 9.329 2.671 41.391 1.00 11.80 C ATOM 1135 CD2 PHE A 84 10.731 0.768 41.838 1.00 13.56 C ATOM 1136 CE1 PHE A 84 9.527 2.521 40.006 1.00 10.94 C ATOM 1137 CE2 PHE A 84 10.945 0.601 40.440 1.00 12.97 C ATOM 1138 CZ PHE A 84 10.349 1.485 39.528 1.00 11.81 C ATOM 1139 HA PHE A 84 8.394 0.297 43.853 1.00 0.00 H ATOM 1140 HB2 PHE A 84 9.633 3.015 44.052 1.00 0.00 H ATOM 1141 HB3 PHE A 84 10.480 1.481 44.358 1.00 0.00 H ATOM 1142 HD2 PHE A 84 11.200 0.079 42.541 1.00 0.00 H ATOM 1143 HE2 PHE A 84 11.572 -0.214 40.078 1.00 0.00 H ATOM 1144 HZ PHE A 84 10.522 1.370 38.458 1.00 0.00 H ATOM 1145 HE1 PHE A 84 9.045 3.205 39.307 1.00 0.00 H ATOM 1146 HD1 PHE A 84 8.695 3.480 41.754 1.00 0.00 H ATOM 1147 H PHE A 84 7.050 3.015 44.015 1.00 0.00 H ATOM 1148 N GLY A 85 7.625 0.046 46.173 1.00 13.80 N ATOM 1149 CA GLY A 85 7.193 -0.168 47.549 1.00 14.26 C ATOM 1150 C GLY A 85 8.365 -0.509 48.442 1.00 14.26 C ATOM 1151 O GLY A 85 9.497 -0.622 47.977 1.00 13.79 O ATOM 1152 HA3 GLY A 85 6.476 -0.989 47.574 1.00 0.00 H ATOM 1153 HA2 GLY A 85 6.717 0.740 47.918 1.00 0.00 H ATOM 1154 H GLY A 85 7.520 -0.729 45.487 1.00 0.00 H ATOM 1155 N SER A 86 8.073 -0.692 49.723 1.00 14.14 N ATOM 1156 CA SER A 86 9.090 -0.947 50.735 1.00 14.46 C ATOM 1157 C SER A 86 9.938 -2.176 50.436 1.00 14.55 C ATOM 1158 O SER A 86 9.434 -3.192 49.966 1.00 14.53 O ATOM 1159 CB SER A 86 8.432 -1.149 52.109 1.00 14.24 C ATOM 1160 OG SER A 86 9.417 -1.097 53.127 1.00 12.77 O ATOM 1161 HA SER A 86 9.741 -0.073 50.731 1.00 0.00 H ATOM 1162 HB2 SER A 86 7.937 -2.120 52.134 1.00 0.00 H ATOM 1163 HB3 SER A 86 7.696 -0.363 52.277 1.00 0.00 H ATOM 1164 HG SER A 86 9.866 -0.215 53.105 1.00 0.00 H ATOM 1165 H SER A 86 7.076 -0.652 50.017 1.00 0.00 H ATOM 1166 N THR A 87 11.232 -2.064 50.725 1.00 15.00 N ATOM 1167 CA THR A 87 12.148 -3.209 50.718 1.00 15.06 C ATOM 1168 C THR A 87 12.607 -3.481 52.163 1.00 14.76 C ATOM 1169 O THR A 87 13.432 -4.354 52.410 1.00 15.13 O ATOM 1170 CB THR A 87 13.367 -2.970 49.757 1.00 14.89 C ATOM 1171 OG1 THR A 87 14.119 -1.833 50.195 1.00 14.63 O ATOM 1172 CG2 THR A 87 12.879 -2.692 48.333 1.00 14.88 C ATOM 1173 HA THR A 87 11.627 -4.086 50.334 1.00 0.00 H ATOM 1174 HB THR A 87 13.987 -3.866 49.771 1.00 0.00 H ATOM 1175 HG1 THR A 87 14.453 -1.994 51.113 1.00 0.00 H ATOM 1176 HG23 THR A 87 12.302 -3.545 47.975 1.00 0.00 H ATOM 1177 HG21 THR A 87 12.251 -1.801 48.333 1.00 0.00 H ATOM 1178 HG22 THR A 87 13.738 -2.533 47.681 1.00 0.00 H ATOM 1179 H THR A 87 11.609 -1.125 50.966 1.00 0.00 H ATOM 1180 N GLY A 88 12.042 -2.730 53.106 1.00 15.10 N ATOM 1181 CA GLY A 88 12.311 -2.887 54.541 1.00 15.37 C ATOM 1182 C GLY A 88 13.530 -2.120 55.002 1.00 15.40 C ATOM 1183 O GLY A 88 13.445 -1.249 55.877 1.00 15.16 O ATOM 1184 HA3 GLY A 88 12.466 -3.945 54.752 1.00 0.00 H ATOM 1185 HA2 GLY A 88 11.445 -2.530 55.098 1.00 0.00 H ATOM 1186 H GLY A 88 11.373 -1.991 52.810 1.00 0.00 H ATOM 1187 N THR A 89 14.670 -2.446 54.395 1.00 14.98 N ATOM 1188 CA THR A 89 15.930 -1.767 54.659 1.00 14.89 C ATOM 1189 C THR A 89 16.543 -1.285 53.341 1.00 14.98 C ATOM 1190 O THR A 89 16.197 -1.766 52.253 1.00 14.66 O ATOM 1191 CB THR A 89 16.946 -2.686 55.395 1.00 15.53 C ATOM 1192 OG1 THR A 89 17.250 -3.826 54.571 1.00 15.24 O ATOM 1193 CG2 THR A 89 16.383 -3.164 56.758 1.00 15.02 C ATOM 1194 HA THR A 89 15.715 -0.919 55.309 1.00 0.00 H ATOM 1195 HB THR A 89 17.853 -2.112 55.583 1.00 0.00 H ATOM 1196 HG1 THR A 89 17.897 -4.409 55.042 1.00 0.00 H ATOM 1197 HG23 THR A 89 16.154 -2.298 57.379 1.00 0.00 H ATOM 1198 HG21 THR A 89 15.475 -3.744 56.591 1.00 0.00 H ATOM 1199 HG22 THR A 89 17.125 -3.785 57.259 1.00 0.00 H ATOM 1200 H THR A 89 14.659 -3.221 53.701 1.00 0.00 H ATOM 1201 N TRP A 90 17.454 -0.328 53.451 1.00 14.55 N ATOM 1202 CA TRP A 90 18.120 0.226 52.284 1.00 14.61 C ATOM 1203 C TRP A 90 19.089 -0.739 51.568 1.00 14.64 C ATOM 1204 O TRP A 90 19.187 -0.681 50.354 1.00 14.54 O ATOM 1205 CB TRP A 90 18.773 1.563 52.631 1.00 14.24 C ATOM 1206 CG TRP A 90 17.780 2.619 53.054 1.00 14.64 C ATOM 1207 CD1 TRP A 90 17.540 3.051 54.329 1.00 13.42 C ATOM 1208 CD2 TRP A 90 16.886 3.353 52.204 1.00 13.88 C ATOM 1209 NE1 TRP A 90 16.569 4.032 54.324 1.00 13.97 N ATOM 1210 CE2 TRP A 90 16.137 4.223 53.037 1.00 13.74 C ATOM 1211 CE3 TRP A 90 16.642 3.360 50.819 1.00 14.09 C ATOM 1212 CZ2 TRP A 90 15.162 5.093 52.531 1.00 14.33 C ATOM 1213 CZ3 TRP A 90 15.671 4.235 50.309 1.00 12.78 C ATOM 1214 CH2 TRP A 90 14.949 5.092 51.165 1.00 14.32 C ATOM 1215 HA TRP A 90 17.339 0.398 51.543 1.00 0.00 H ATOM 1216 HB2 TRP A 90 19.478 1.403 53.447 1.00 0.00 H ATOM 1217 HB3 TRP A 90 19.310 1.924 51.754 1.00 0.00 H ATOM 1218 HE1 TRP A 90 16.222 4.543 55.160 1.00 0.00 H ATOM 1219 HD1 TRP A 90 18.043 2.675 55.220 1.00 0.00 H ATOM 1220 HZ2 TRP A 90 14.592 5.747 53.191 1.00 0.00 H ATOM 1221 HH2 TRP A 90 14.207 5.768 50.741 1.00 0.00 H ATOM 1222 HZ3 TRP A 90 15.472 4.253 49.237 1.00 0.00 H ATOM 1223 HE3 TRP A 90 17.197 2.698 50.154 1.00 0.00 H ATOM 1224 H TRP A 90 17.698 0.035 54.395 1.00 0.00 H ATOM 1225 N PRO A 91 19.824 -1.611 52.305 1.00 14.39 N ATOM 1226 CA PRO A 91 20.619 -2.654 51.623 1.00 14.70 C ATOM 1227 C PRO A 91 19.868 -3.820 50.970 1.00 14.40 C ATOM 1228 O PRO A 91 20.487 -4.603 50.256 1.00 14.37 O ATOM 1229 CB PRO A 91 21.526 -3.195 52.749 1.00 14.72 C ATOM 1230 CG PRO A 91 21.539 -2.101 53.766 1.00 14.18 C ATOM 1231 CD PRO A 91 20.124 -1.602 53.745 1.00 15.16 C ATOM 1232 HA PRO A 91 21.113 -2.199 50.765 1.00 0.00 H ATOM 1233 HD3 PRO A 91 19.459 -2.269 54.294 1.00 0.00 H ATOM 1234 HD2 PRO A 91 20.051 -0.597 54.160 1.00 0.00 H ATOM 1235 HG3 PRO A 91 22.237 -1.312 53.484 1.00 0.00 H ATOM 1236 HG2 PRO A 91 21.805 -2.485 54.751 1.00 0.00 H ATOM 1237 HB2 PRO A 91 21.114 -4.111 53.172 1.00 0.00 H ATOM 1238 HB3 PRO A 91 22.532 -3.389 52.376 1.00 0.00 H ATOM 1239 N ALA A 92 18.567 -3.941 51.218 1.00 13.83 N ATOM 1240 CA ALA A 92 17.772 -5.052 50.697 1.00 14.36 C ATOM 1241 C ALA A 92 17.292 -4.784 49.267 1.00 14.39 C ATOM 1242 O ALA A 92 16.089 -4.669 49.019 1.00 14.33 O ATOM 1243 CB ALA A 92 16.583 -5.323 51.629 1.00 14.19 C ATOM 1244 HA ALA A 92 18.407 -5.937 50.662 1.00 0.00 H ATOM 1245 HB1 ALA A 92 16.952 -5.578 52.622 1.00 0.00 H ATOM 1246 HB2 ALA A 92 15.960 -4.431 51.690 1.00 0.00 H ATOM 1247 HB3 ALA A 92 15.995 -6.152 51.234 1.00 0.00 H ATOM 1248 H ALA A 92 18.099 -3.220 51.803 1.00 0.00 H ATOM 1249 N TRP A 93 18.236 -4.708 48.327 1.00 13.80 N ATOM 1250 CA TRP A 93 17.913 -4.443 46.918 1.00 13.55 C ATOM 1251 C TRP A 93 16.944 -5.471 46.307 1.00 13.94 C ATOM 1252 O TRP A 93 17.082 -6.680 46.481 1.00 14.09 O ATOM 1253 CB TRP A 93 19.186 -4.366 46.074 1.00 11.51 C ATOM 1254 CG TRP A 93 20.173 -3.332 46.574 1.00 12.40 C ATOM 1255 CD1 TRP A 93 21.201 -3.524 47.467 1.00 10.69 C ATOM 1256 CD2 TRP A 93 20.204 -1.943 46.218 1.00 11.45 C ATOM 1257 NE1 TRP A 93 21.873 -2.331 47.677 1.00 11.35 N ATOM 1258 CE2 TRP A 93 21.277 -1.350 46.922 1.00 11.67 C ATOM 1259 CE3 TRP A 93 19.424 -1.142 45.365 1.00 11.31 C ATOM 1260 CZ2 TRP A 93 21.590 0.007 46.795 1.00 10.44 C ATOM 1261 CZ3 TRP A 93 19.732 0.212 45.245 1.00 10.15 C ATOM 1262 CH2 TRP A 93 20.807 0.767 45.955 1.00 11.35 C ATOM 1263 HA TRP A 93 17.403 -3.480 46.906 1.00 0.00 H ATOM 1264 HB2 TRP A 93 19.670 -5.342 46.088 1.00 0.00 H ATOM 1265 HB3 TRP A 93 18.908 -4.114 45.051 1.00 0.00 H ATOM 1266 HE1 TRP A 93 22.693 -2.200 48.303 1.00 0.00 H ATOM 1267 HD1 TRP A 93 21.450 -4.474 47.940 1.00 0.00 H ATOM 1268 HZ2 TRP A 93 22.424 0.447 47.341 1.00 0.00 H ATOM 1269 HH2 TRP A 93 21.028 1.828 45.839 1.00 0.00 H ATOM 1270 HZ3 TRP A 93 19.131 0.846 44.593 1.00 0.00 H ATOM 1271 HE3 TRP A 93 18.593 -1.573 44.807 1.00 0.00 H ATOM 1272 H TRP A 93 19.231 -4.840 48.600 1.00 0.00 H ATOM 1273 N THR A 94 15.962 -4.958 45.581 1.00 14.98 N ATOM 1274 CA THR A 94 15.015 -5.806 44.885 1.00 14.80 C ATOM 1275 C THR A 94 14.820 -5.307 43.455 1.00 15.18 C ATOM 1276 O THR A 94 15.269 -4.196 43.093 1.00 13.43 O ATOM 1277 CB THR A 94 13.681 -5.966 45.683 1.00 15.77 C ATOM 1278 OG1 THR A 94 12.788 -6.848 44.988 1.00 14.95 O ATOM 1279 CG2 THR A 94 13.008 -4.641 45.905 1.00 15.04 C ATOM 1280 HA THR A 94 15.423 -6.814 44.817 1.00 0.00 H ATOM 1281 HB THR A 94 13.930 -6.390 46.656 1.00 0.00 H ATOM 1282 HG1 THR A 94 11.948 -6.940 45.504 1.00 0.00 H ATOM 1283 HG23 THR A 94 13.689 -3.973 46.433 1.00 0.00 H ATOM 1284 HG21 THR A 94 12.742 -4.204 44.942 1.00 0.00 H ATOM 1285 HG22 THR A 94 12.107 -4.788 46.500 1.00 0.00 H ATOM 1286 H THR A 94 15.869 -3.925 45.509 1.00 0.00 H ATOM 1287 N THR A 95 14.188 -6.135 42.632 1.00 14.79 N ATOM 1288 CA THR A 95 13.973 -5.754 41.250 1.00 15.49 C ATOM 1289 C THR A 95 12.494 -5.599 40.928 1.00 15.30 C ATOM 1290 O THR A 95 11.619 -6.197 41.569 1.00 14.73 O ATOM 1291 CB THR A 95 14.643 -6.739 40.260 1.00 15.63 C ATOM 1292 OG1 THR A 95 14.173 -8.065 40.526 1.00 17.65 O ATOM 1293 CG2 THR A 95 16.165 -6.690 40.394 1.00 15.57 C ATOM 1294 HA THR A 95 14.450 -4.782 41.125 1.00 0.00 H ATOM 1295 HB THR A 95 14.381 -6.451 39.242 1.00 0.00 H ATOM 1296 HG1 THR A 95 14.599 -8.698 39.895 1.00 0.00 H ATOM 1297 HG23 THR A 95 16.514 -5.678 40.190 1.00 0.00 H ATOM 1298 HG21 THR A 95 16.449 -6.976 41.407 1.00 0.00 H ATOM 1299 HG22 THR A 95 16.614 -7.381 39.680 1.00 0.00 H ATOM 1300 H THR A 95 13.848 -7.055 42.978 1.00 0.00 H ATOM 1301 N LYS A 96 12.220 -4.757 39.943 1.00 15.72 N ATOM 1302 CA LYS A 96 10.879 -4.639 39.387 1.00 15.47 C ATOM 1303 C LYS A 96 11.024 -4.419 37.899 1.00 15.36 C ATOM 1304 O LYS A 96 11.832 -3.601 37.459 1.00 14.78 O ATOM 1305 CB LYS A 96 10.116 -3.478 40.030 1.00 15.75 C ATOM 1306 CG LYS A 96 8.705 -3.295 39.465 1.00 17.28 C ATOM 1307 CD LYS A 96 8.062 -2.011 39.986 1.00 21.31 C ATOM 1308 CE LYS A 96 6.984 -2.312 40.993 1.00 25.93 C ATOM 1309 NZ LYS A 96 5.728 -2.798 40.342 1.00 28.02 N ATOM 1310 HA LYS A 96 10.308 -5.545 39.588 1.00 0.00 H ATOM 1311 HB2 LYS A 96 10.039 -3.665 41.101 1.00 0.00 H ATOM 1312 HB3 LYS A 96 10.678 -2.559 39.863 1.00 0.00 H ATOM 1313 HG2 LYS A 96 8.761 -3.249 38.377 1.00 0.00 H ATOM 1314 HG3 LYS A 96 8.091 -4.146 39.760 1.00 0.00 H ATOM 1315 HD2 LYS A 96 8.828 -1.395 40.458 1.00 0.00 H ATOM 1316 HD3 LYS A 96 7.625 -1.467 39.149 1.00 0.00 H ATOM 1317 HE2 LYS A 96 6.762 -1.404 41.553 1.00 0.00 H ATOM 1318 HE3 LYS A 96 7.346 -3.080 41.677 1.00 0.00 H ATOM 1319 HZ1 LYS A 96 5.371 -2.069 39.692 1.00 0.00 H ATOM 1320 HZ2 LYS A 96 5.929 -3.669 39.811 1.00 0.00 H ATOM 1321 HZ3 LYS A 96 5.014 -2.993 41.072 1.00 0.00 H ATOM 1322 H LYS A 96 12.982 -4.165 39.556 1.00 0.00 H ATOM 1323 N THR A 97 10.232 -5.155 37.129 1.00 15.95 N ATOM 1324 CA THR A 97 10.268 -5.074 35.678 1.00 16.37 C ATOM 1325 C THR A 97 9.243 -4.070 35.150 1.00 16.66 C ATOM 1326 O THR A 97 8.081 -4.076 35.562 1.00 16.53 O ATOM 1327 CB THR A 97 10.045 -6.464 35.054 1.00 17.07 C ATOM 1328 OG1 THR A 97 10.974 -7.388 35.632 1.00 17.72 O ATOM 1329 CG2 THR A 97 10.240 -6.423 33.551 1.00 16.56 C ATOM 1330 HA THR A 97 11.257 -4.719 35.387 1.00 0.00 H ATOM 1331 HB THR A 97 9.022 -6.780 35.257 1.00 0.00 H ATOM 1332 HG1 THR A 97 10.836 -8.284 35.235 1.00 0.00 H ATOM 1333 HG23 THR A 97 9.532 -5.719 33.113 1.00 0.00 H ATOM 1334 HG21 THR A 97 11.258 -6.104 33.327 1.00 0.00 H ATOM 1335 HG22 THR A 97 10.070 -7.417 33.137 1.00 0.00 H ATOM 1336 H THR A 97 9.563 -5.812 37.579 1.00 0.00 H ATOM 1337 N VAL A 98 9.700 -3.203 34.245 1.00 16.08 N ATOM 1338 CA VAL A 98 8.857 -2.201 33.601 1.00 16.53 C ATOM 1339 C VAL A 98 8.973 -2.396 32.085 1.00 16.97 C ATOM 1340 O VAL A 98 10.086 -2.477 31.553 1.00 16.70 O ATOM 1341 CB VAL A 98 9.295 -0.746 33.971 1.00 16.24 C ATOM 1342 CG1 VAL A 98 8.400 0.305 33.284 1.00 15.17 C ATOM 1343 CG2 VAL A 98 9.315 -0.526 35.494 1.00 15.66 C ATOM 1344 HA VAL A 98 7.830 -2.329 33.943 1.00 0.00 H ATOM 1345 HB VAL A 98 10.313 -0.619 33.602 1.00 0.00 H ATOM 1346 HG11 VAL A 98 8.469 0.188 32.203 1.00 0.00 H ATOM 1347 HG12 VAL A 98 7.367 0.164 33.601 1.00 0.00 H ATOM 1348 HG13 VAL A 98 8.734 1.304 33.564 1.00 0.00 H ATOM 1349 HG21 VAL A 98 8.317 -0.697 35.898 1.00 0.00 H ATOM 1350 HG22 VAL A 98 10.018 -1.223 35.951 1.00 0.00 H ATOM 1351 HG23 VAL A 98 9.624 0.497 35.708 1.00 0.00 H ATOM 1352 H VAL A 98 10.706 -3.243 33.986 1.00 0.00 H ATOM 1353 N ARG A 99 7.824 -2.472 31.412 1.00 17.73 N ATOM 1354 CA ARG A 99 7.747 -2.578 29.946 1.00 18.52 C ATOM 1355 C ARG A 99 7.996 -1.234 29.285 1.00 18.58 C ATOM 1356 O ARG A 99 7.304 -0.258 29.574 1.00 19.31 O ATOM 1357 CB ARG A 99 6.374 -3.109 29.508 1.00 19.24 C ATOM 1358 CG ARG A 99 5.970 -4.412 30.154 1.00 20.31 C ATOM 1359 CD ARG A 99 6.618 -5.595 29.491 1.00 23.76 C ATOM 1360 NE ARG A 99 6.088 -5.817 28.149 1.00 25.30 N ATOM 1361 CZ ARG A 99 6.721 -6.489 27.190 1.00 26.86 C ATOM 1362 NH1 ARG A 99 7.919 -7.017 27.411 1.00 28.29 N ATOM 1363 NH2 ARG A 99 6.158 -6.628 26.000 1.00 26.49 N ATOM 1364 HA ARG A 99 8.522 -3.277 29.631 1.00 0.00 H ATOM 1365 HB2 ARG A 99 5.624 -2.359 29.757 1.00 0.00 H ATOM 1366 HB3 ARG A 99 6.395 -3.256 28.428 1.00 0.00 H ATOM 1367 HG2 ARG A 99 6.265 -4.391 31.203 1.00 0.00 H ATOM 1368 HG3 ARG A 99 4.887 -4.519 30.084 1.00 0.00 H ATOM 1369 HD2 ARG A 99 6.435 -6.484 30.095 1.00 0.00 H ATOM 1370 HD3 ARG A 99 7.691 -5.418 29.423 1.00 0.00 H ATOM 1371 HE ARG A 99 5.151 -5.423 27.927 1.00 0.00 H ATOM 1372 HH12 ARG A 99 8.404 -7.540 26.654 1.00 0.00 H ATOM 1373 HH11 ARG A 99 8.372 -6.908 28.341 1.00 0.00 H ATOM 1374 HH22 ARG A 99 6.651 -7.153 25.250 1.00 0.00 H ATOM 1375 HH21 ARG A 99 5.223 -6.213 25.816 1.00 0.00 H ATOM 1376 H ARG A 99 6.935 -2.455 31.952 1.00 0.00 H ATOM 1377 N VAL A 100 9.010 -1.175 28.419 1.00 18.40 N ATOM 1378 CA VAL A 100 9.337 0.065 27.721 1.00 18.07 C ATOM 1379 C VAL A 100 9.553 -0.209 26.234 1.00 18.25 C ATOM 1380 O VAL A 100 10.272 -1.140 25.848 1.00 18.51 O ATOM 1381 CB VAL A 100 10.569 0.821 28.331 1.00 18.31 C ATOM 1382 CG1 VAL A 100 10.502 0.876 29.860 1.00 17.48 C ATOM 1383 CG2 VAL A 100 11.882 0.208 27.871 1.00 18.69 C ATOM 1384 HA VAL A 100 8.483 0.730 27.851 1.00 0.00 H ATOM 1385 HB VAL A 100 10.527 1.845 27.961 1.00 0.00 H ATOM 1386 HG11 VAL A 100 9.595 1.398 30.164 1.00 0.00 H ATOM 1387 HG12 VAL A 100 10.490 -0.138 30.259 1.00 0.00 H ATOM 1388 HG13 VAL A 100 11.374 1.408 30.242 1.00 0.00 H ATOM 1389 HG21 VAL A 100 11.925 -0.834 28.187 1.00 0.00 H ATOM 1390 HG22 VAL A 100 11.946 0.263 26.784 1.00 0.00 H ATOM 1391 HG23 VAL A 100 12.713 0.758 28.313 1.00 0.00 H ATOM 1392 H VAL A 100 9.577 -2.028 28.238 1.00 0.00 H ATOM 1393 N THR A 101 8.903 0.601 25.396 1.00 17.52 N ATOM 1394 CA THR A 101 9.025 0.463 23.955 1.00 16.87 C ATOM 1395 C THR A 101 10.174 1.332 23.434 1.00 16.08 C ATOM 1396 O THR A 101 10.249 2.533 23.699 1.00 15.63 O ATOM 1397 CB THR A 101 7.689 0.735 23.217 1.00 17.07 C ATOM 1398 OG1 THR A 101 6.713 -0.207 23.664 1.00 17.05 O ATOM 1399 CG2 THR A 101 7.843 0.583 21.686 1.00 17.25 C ATOM 1400 HA THR A 101 9.268 -0.577 23.737 1.00 0.00 H ATOM 1401 HB THR A 101 7.384 1.758 23.437 1.00 0.00 H ATOM 1402 HG1 THR A 101 7.026 -1.125 23.464 1.00 0.00 H ATOM 1403 HG23 THR A 101 8.585 1.295 21.324 1.00 0.00 H ATOM 1404 HG21 THR A 101 8.167 -0.431 21.454 1.00 0.00 H ATOM 1405 HG22 THR A 101 6.885 0.779 21.205 1.00 0.00 H ATOM 1406 H THR A 101 8.294 1.349 25.784 1.00 0.00 H ATOM 1407 N LEU A 102 11.069 0.678 22.710 1.00 15.31 N ATOM 1408 CA LEU A 102 12.313 1.279 22.255 1.00 15.25 C ATOM 1409 C LEU A 102 12.439 1.182 20.742 1.00 15.07 C ATOM 1410 O LEU A 102 11.927 0.243 20.129 1.00 14.79 O ATOM 1411 CB LEU A 102 13.509 0.556 22.908 1.00 14.71 C ATOM 1412 CG LEU A 102 13.577 0.577 24.441 1.00 14.65 C ATOM 1413 CD1 LEU A 102 14.726 -0.283 25.009 1.00 13.86 C ATOM 1414 CD2 LEU A 102 13.676 2.022 24.935 1.00 13.05 C ATOM 1415 HA LEU A 102 12.310 2.330 22.542 1.00 0.00 H ATOM 1416 HB2 LEU A 102 13.476 -0.487 22.593 1.00 0.00 H ATOM 1417 HB3 LEU A 102 14.421 1.019 22.531 1.00 0.00 H ATOM 1418 HG LEU A 102 12.656 0.127 24.812 1.00 0.00 H ATOM 1419 HD21 LEU A 102 14.575 2.483 24.527 1.00 0.00 H ATOM 1420 HD22 LEU A 102 12.799 2.578 24.605 1.00 0.00 H ATOM 1421 HD23 LEU A 102 13.724 2.030 26.024 1.00 0.00 H ATOM 1422 HD11 LEU A 102 14.590 -1.319 24.698 1.00 0.00 H ATOM 1423 HD12 LEU A 102 15.678 0.089 24.631 1.00 0.00 H ATOM 1424 HD13 LEU A 102 14.718 -0.225 26.097 1.00 0.00 H ATOM 1425 H LEU A 102 10.874 -0.311 22.455 1.00 0.00 H ATOM 1426 N ALA A 103 13.136 2.154 20.161 1.00 15.26 N ATOM 1427 CA ALA A 103 13.606 2.080 18.775 1.00 15.64 C ATOM 1428 C ALA A 103 14.886 1.220 18.672 1.00 15.54 C ATOM 1429 O ALA A 103 15.636 1.094 19.645 1.00 14.97 O ATOM 1430 CB ALA A 103 13.863 3.498 18.257 1.00 14.91 C ATOM 1431 HA ALA A 103 12.841 1.604 18.162 1.00 0.00 H ATOM 1432 HB1 ALA A 103 12.938 4.073 18.301 1.00 0.00 H ATOM 1433 HB2 ALA A 103 14.620 3.978 18.877 1.00 0.00 H ATOM 1434 HB3 ALA A 103 14.213 3.449 17.226 1.00 0.00 H ATOM 1435 H ALA A 103 13.358 3.005 20.715 1.00 0.00 H ATOM 1436 N ALA A 104 15.148 0.626 17.507 1.00 15.92 N ATOM 1437 CA ALA A 104 16.463 -0.004 17.270 1.00 16.38 C ATOM 1438 C ALA A 104 17.553 1.034 17.477 1.00 16.27 C ATOM 1439 O ALA A 104 17.405 2.184 17.067 1.00 16.91 O ATOM 1440 CB ALA A 104 16.561 -0.586 15.871 1.00 16.17 C ATOM 1441 HA ALA A 104 16.585 -0.825 17.976 1.00 0.00 H ATOM 1442 HB1 ALA A 104 15.788 -1.343 15.739 1.00 0.00 H ATOM 1443 HB2 ALA A 104 16.423 0.209 15.138 1.00 0.00 H ATOM 1444 HB3 ALA A 104 17.543 -1.040 15.736 1.00 0.00 H ATOM 1445 H ALA A 104 14.423 0.606 16.762 1.00 0.00 H ATOM 1446 N GLY A 105 18.621 0.641 18.161 1.00 16.33 N ATOM 1447 CA GLY A 105 19.734 1.535 18.381 1.00 16.37 C ATOM 1448 C GLY A 105 19.677 2.226 19.725 1.00 16.49 C ATOM 1449 O GLY A 105 19.161 1.678 20.698 1.00 15.97 O ATOM 1450 HA3 GLY A 105 19.731 2.294 17.599 1.00 0.00 H ATOM 1451 HA2 GLY A 105 20.659 0.960 18.324 1.00 0.00 H ATOM 1452 H GLY A 105 18.657 -0.325 18.544 1.00 0.00 H ATOM 1453 N VAL A 106 20.217 3.442 19.758 1.00 16.76 N ATOM 1454 CA VAL A 106 20.327 4.253 20.974 1.00 17.11 C ATOM 1455 C VAL A 106 18.982 4.863 21.399 1.00 17.49 C ATOM 1456 O VAL A 106 18.228 5.391 20.576 1.00 17.50 O ATOM 1457 CB VAL A 106 21.434 5.345 20.802 1.00 17.01 C ATOM 1458 CG1 VAL A 106 21.612 6.165 22.073 1.00 17.00 C ATOM 1459 CG2 VAL A 106 22.750 4.682 20.430 1.00 16.95 C ATOM 1460 HA VAL A 106 20.624 3.590 21.786 1.00 0.00 H ATOM 1461 HB VAL A 106 21.121 6.022 20.007 1.00 0.00 H ATOM 1462 HG11 VAL A 106 20.673 6.661 22.318 1.00 0.00 H ATOM 1463 HG12 VAL A 106 21.901 5.506 22.892 1.00 0.00 H ATOM 1464 HG13 VAL A 106 22.389 6.913 21.915 1.00 0.00 H ATOM 1465 HG21 VAL A 106 23.043 3.990 21.219 1.00 0.00 H ATOM 1466 HG22 VAL A 106 22.629 4.137 19.494 1.00 0.00 H ATOM 1467 HG23 VAL A 106 23.519 5.445 20.311 1.00 0.00 H ATOM 1468 H VAL A 106 20.582 3.840 18.869 1.00 0.00 H ATOM 1469 N ASN A 107 18.687 4.747 22.698 1.00 17.38 N ATOM 1470 CA ASN A 107 17.488 5.294 23.311 1.00 16.91 C ATOM 1471 C ASN A 107 17.902 5.897 24.648 1.00 17.03 C ATOM 1472 O ASN A 107 18.895 5.460 25.244 1.00 16.87 O ATOM 1473 CB ASN A 107 16.447 4.189 23.608 1.00 16.69 C ATOM 1474 CG ASN A 107 15.939 3.474 22.359 1.00 15.85 C ATOM 1475 OD1 ASN A 107 14.857 3.783 21.860 1.00 15.76 O ATOM 1476 ND2 ASN A 107 16.704 2.494 21.870 1.00 14.20 N ATOM 1477 HA ASN A 107 17.044 6.022 22.632 1.00 0.00 H ATOM 1478 HB2 ASN A 107 16.906 3.450 24.265 1.00 0.00 H ATOM 1479 HB3 ASN A 107 15.596 4.644 24.114 1.00 0.00 H ATOM 1480 HD22 ASN A 107 17.612 2.267 22.324 1.00 0.00 H ATOM 1481 HD21 ASN A 107 16.392 1.958 21.035 1.00 0.00 H ATOM 1482 H ASN A 107 19.356 4.234 23.307 1.00 0.00 H ATOM 1483 N LYS A 108 17.149 6.886 25.120 1.00 16.76 N ATOM 1484 CA LYS A 108 17.277 7.339 26.506 1.00 16.87 C ATOM 1485 C LYS A 108 16.007 6.976 27.262 1.00 16.03 C ATOM 1486 O LYS A 108 14.902 7.242 26.788 1.00 15.99 O ATOM 1487 CB LYS A 108 17.566 8.842 26.598 1.00 16.54 C ATOM 1488 CG LYS A 108 18.957 9.227 26.082 1.00 18.93 C ATOM 1489 CD LYS A 108 19.179 10.734 26.078 1.00 19.22 C ATOM 1490 CE LYS A 108 20.542 11.064 25.481 1.00 23.74 C ATOM 1491 NZ LYS A 108 21.213 12.182 26.204 1.00 27.59 N ATOM 1492 HA LYS A 108 18.131 6.836 26.960 1.00 0.00 H ATOM 1493 HB2 LYS A 108 16.819 9.374 26.009 1.00 0.00 H ATOM 1494 HB3 LYS A 108 17.488 9.146 27.642 1.00 0.00 H ATOM 1495 HG2 LYS A 108 19.708 8.764 26.722 1.00 0.00 H ATOM 1496 HG3 LYS A 108 19.069 8.854 25.064 1.00 0.00 H ATOM 1497 HD2 LYS A 108 18.400 11.211 25.483 1.00 0.00 H ATOM 1498 HD3 LYS A 108 19.134 11.108 27.101 1.00 0.00 H ATOM 1499 HE2 LYS A 108 20.410 11.349 24.437 1.00 0.00 H ATOM 1500 HE3 LYS A 108 21.175 10.178 25.537 1.00 0.00 H ATOM 1501 HZ1 LYS A 108 20.619 13.034 26.150 1.00 0.00 H ATOM 1502 HZ2 LYS A 108 21.350 11.916 27.200 1.00 0.00 H ATOM 1503 HZ3 LYS A 108 22.136 12.373 25.765 1.00 0.00 H ATOM 1504 H LYS A 108 16.457 7.345 24.494 1.00 0.00 H ATOM 1505 N ILE A 109 16.186 6.330 28.414 1.00 15.69 N ATOM 1506 CA ILE A 109 15.089 5.972 29.318 1.00 14.49 C ATOM 1507 C ILE A 109 15.249 6.815 30.581 1.00 14.54 C ATOM 1508 O ILE A 109 16.279 6.720 31.266 1.00 13.19 O ATOM 1509 CB ILE A 109 15.134 4.475 29.715 1.00 15.11 C ATOM 1510 CG1 ILE A 109 15.065 3.549 28.474 1.00 15.08 C ATOM 1511 CG2 ILE A 109 14.006 4.142 30.742 1.00 14.66 C ATOM 1512 CD1 ILE A 109 15.365 2.064 28.785 1.00 13.38 C ATOM 1513 HA ILE A 109 14.139 6.155 28.816 1.00 0.00 H ATOM 1514 HB ILE A 109 16.094 4.288 30.196 1.00 0.00 H ATOM 1515 HG12 ILE A 109 14.063 3.616 28.050 1.00 0.00 H ATOM 1516 HG13 ILE A 109 15.792 3.901 27.742 1.00 0.00 H ATOM 1517 HD11 ILE A 109 16.370 1.977 29.199 1.00 0.00 H ATOM 1518 HD12 ILE A 109 14.639 1.692 29.508 1.00 0.00 H ATOM 1519 HD13 ILE A 109 15.297 1.481 27.867 1.00 0.00 H ATOM 1520 HG21 ILE A 109 14.141 4.749 31.637 1.00 0.00 H ATOM 1521 HG22 ILE A 109 13.035 4.360 30.297 1.00 0.00 H ATOM 1522 HG23 ILE A 109 14.057 3.086 31.006 1.00 0.00 H ATOM 1523 H ILE A 109 17.155 6.066 28.686 1.00 0.00 H ATOM 1524 N LYS A 110 14.232 7.613 30.895 1.00 13.98 N ATOM 1525 CA LYS A 110 14.256 8.465 32.075 1.00 14.65 C ATOM 1526 C LYS A 110 13.220 7.998 33.117 1.00 14.41 C ATOM 1527 O LYS A 110 12.095 7.644 32.760 1.00 13.90 O ATOM 1528 CB LYS A 110 13.989 9.924 31.681 1.00 14.88 C ATOM 1529 CG LYS A 110 14.149 10.923 32.846 1.00 18.03 C ATOM 1530 CD LYS A 110 13.400 12.228 32.571 1.00 22.89 C ATOM 1531 CE LYS A 110 14.318 13.288 32.023 1.00 26.68 C ATOM 1532 NZ LYS A 110 13.663 14.631 32.051 1.00 30.35 N ATOM 1533 HA LYS A 110 15.246 8.393 32.525 1.00 0.00 H ATOM 1534 HB2 LYS A 110 14.688 10.201 30.892 1.00 0.00 H ATOM 1535 HB3 LYS A 110 12.969 9.997 31.303 1.00 0.00 H ATOM 1536 HG2 LYS A 110 13.754 10.472 33.756 1.00 0.00 H ATOM 1537 HG3 LYS A 110 15.208 11.144 32.981 1.00 0.00 H ATOM 1538 HD2 LYS A 110 12.608 12.036 31.847 1.00 0.00 H ATOM 1539 HD3 LYS A 110 12.960 12.587 33.502 1.00 0.00 H ATOM 1540 HE2 LYS A 110 14.577 13.039 30.994 1.00 0.00 H ATOM 1541 HE3 LYS A 110 15.225 13.321 32.626 1.00 0.00 H ATOM 1542 HZ1 LYS A 110 12.799 14.606 31.473 1.00 0.00 H ATOM 1543 HZ2 LYS A 110 13.418 14.876 33.032 1.00 0.00 H ATOM 1544 HZ3 LYS A 110 14.318 15.343 31.668 1.00 0.00 H ATOM 1545 H LYS A 110 13.394 7.629 30.279 1.00 0.00 H ATOM 1546 N ALA A 111 13.620 7.993 34.387 1.00 13.66 N ATOM 1547 CA ALA A 111 12.737 7.645 35.512 1.00 14.31 C ATOM 1548 C ALA A 111 12.711 8.823 36.505 1.00 14.78 C ATOM 1549 O ALA A 111 13.702 9.071 37.207 1.00 15.61 O ATOM 1550 CB ALA A 111 13.213 6.334 36.207 1.00 14.03 C ATOM 1551 HA ALA A 111 11.728 7.464 35.142 1.00 0.00 H ATOM 1552 HB1 ALA A 111 13.201 5.517 35.486 1.00 0.00 H ATOM 1553 HB2 ALA A 111 14.226 6.472 36.585 1.00 0.00 H ATOM 1554 HB3 ALA A 111 12.544 6.099 37.035 1.00 0.00 H ATOM 1555 H ALA A 111 14.607 8.248 34.595 1.00 0.00 H ATOM 1556 N VAL A 112 11.588 9.542 36.532 1.00 14.87 N ATOM 1557 CA VAL A 112 11.402 10.777 37.320 1.00 14.53 C ATOM 1558 C VAL A 112 10.462 10.540 38.516 1.00 13.98 C ATOM 1559 O VAL A 112 9.417 9.902 38.385 1.00 13.34 O ATOM 1560 CB VAL A 112 10.833 11.953 36.427 1.00 14.65 C ATOM 1561 CG1 VAL A 112 9.454 11.629 35.898 1.00 16.27 C ATOM 1562 CG2 VAL A 112 10.781 13.259 37.191 1.00 14.39 C ATOM 1563 HA VAL A 112 12.385 11.065 37.694 1.00 0.00 H ATOM 1564 HB VAL A 112 11.519 12.064 35.587 1.00 0.00 H ATOM 1565 HG11 VAL A 112 9.502 10.726 35.290 1.00 0.00 H ATOM 1566 HG12 VAL A 112 8.774 11.470 36.734 1.00 0.00 H ATOM 1567 HG13 VAL A 112 9.095 12.459 35.289 1.00 0.00 H ATOM 1568 HG21 VAL A 112 10.135 13.144 38.061 1.00 0.00 H ATOM 1569 HG22 VAL A 112 11.786 13.529 37.516 1.00 0.00 H ATOM 1570 HG23 VAL A 112 10.385 14.042 36.544 1.00 0.00 H ATOM 1571 H VAL A 112 10.787 9.210 35.958 1.00 0.00 H ATOM 1572 N ALA A 113 10.860 11.026 39.682 1.00 13.45 N ATOM 1573 CA ALA A 113 10.015 10.922 40.867 1.00 14.02 C ATOM 1574 C ALA A 113 8.866 11.906 40.753 1.00 14.48 C ATOM 1575 O ALA A 113 9.051 13.062 40.368 1.00 14.60 O ATOM 1576 CB ALA A 113 10.824 11.192 42.131 1.00 13.49 C ATOM 1577 HA ALA A 113 9.617 9.909 40.933 1.00 0.00 H ATOM 1578 HB1 ALA A 113 11.630 10.463 42.207 1.00 0.00 H ATOM 1579 HB2 ALA A 113 11.244 12.197 42.084 1.00 0.00 H ATOM 1580 HB3 ALA A 113 10.174 11.109 43.002 1.00 0.00 H ATOM 1581 H ALA A 113 11.789 11.489 39.754 1.00 0.00 H ATOM 1582 N THR A 114 7.675 11.434 41.086 1.00 15.40 N ATOM 1583 CA THR A 114 6.456 12.223 40.935 1.00 16.16 C ATOM 1584 C THR A 114 5.920 12.729 42.279 1.00 16.56 C ATOM 1585 O THR A 114 4.961 13.507 42.313 1.00 16.82 O ATOM 1586 CB THR A 114 5.364 11.386 40.269 1.00 15.98 C ATOM 1587 OG1 THR A 114 5.095 10.239 41.084 1.00 15.06 O ATOM 1588 CG2 THR A 114 5.815 10.921 38.880 1.00 16.76 C ATOM 1589 HA THR A 114 6.716 13.083 40.317 1.00 0.00 H ATOM 1590 HB THR A 114 4.466 11.995 40.161 1.00 0.00 H ATOM 1591 HG1 THR A 114 4.388 9.692 40.659 1.00 0.00 H ATOM 1592 HG23 THR A 114 6.021 11.791 38.256 1.00 0.00 H ATOM 1593 HG21 THR A 114 6.718 10.319 38.975 1.00 0.00 H ATOM 1594 HG22 THR A 114 5.025 10.324 38.424 1.00 0.00 H ATOM 1595 H THR A 114 7.605 10.469 41.468 1.00 0.00 H ATOM 1596 N THR A 115 6.519 12.275 43.381 1.00 16.41 N ATOM 1597 CA THR A 115 6.078 12.717 44.702 1.00 16.57 C ATOM 1598 C THR A 115 7.190 13.415 45.467 1.00 16.57 C ATOM 1599 O THR A 115 8.370 13.243 45.156 1.00 16.08 O ATOM 1600 CB THR A 115 5.525 11.553 45.579 1.00 16.79 C ATOM 1601 OG1 THR A 115 6.578 10.626 45.900 1.00 15.48 O ATOM 1602 CG2 THR A 115 4.379 10.851 44.887 1.00 16.45 C ATOM 1603 HA THR A 115 5.268 13.421 44.509 1.00 0.00 H ATOM 1604 HB THR A 115 5.142 11.975 46.508 1.00 0.00 H ATOM 1605 HG1 THR A 115 6.953 10.252 45.064 1.00 0.00 H ATOM 1606 HG23 THR A 115 3.598 11.575 44.656 1.00 0.00 H ATOM 1607 HG21 THR A 115 4.738 10.395 43.964 1.00 0.00 H ATOM 1608 HG22 THR A 115 3.978 10.079 45.543 1.00 0.00 H ATOM 1609 H THR A 115 7.307 11.601 43.299 1.00 0.00 H ATOM 1610 N ALA A 116 6.793 14.186 46.482 1.00 16.69 N ATOM 1611 CA ALA A 116 7.726 14.904 47.358 1.00 17.27 C ATOM 1612 C ALA A 116 8.748 14.028 48.076 1.00 17.40 C ATOM 1613 O ALA A 116 9.741 14.534 48.566 1.00 18.34 O ATOM 1614 CB ALA A 116 6.962 15.746 48.376 1.00 17.55 C ATOM 1615 HA ALA A 116 8.305 15.539 46.687 1.00 0.00 H ATOM 1616 HB1 ALA A 116 6.339 16.470 47.852 1.00 0.00 H ATOM 1617 HB2 ALA A 116 6.333 15.096 48.984 1.00 0.00 H ATOM 1618 HB3 ALA A 116 7.671 16.271 49.017 1.00 0.00 H ATOM 1619 H ALA A 116 5.773 14.282 46.661 1.00 0.00 H ATOM 1620 N ASN A 117 8.514 12.721 48.150 1.00 17.25 N ATOM 1621 CA ASN A 117 9.498 11.817 48.773 1.00 17.22 C ATOM 1622 C ASN A 117 10.637 11.407 47.847 1.00 16.40 C ATOM 1623 O ASN A 117 11.561 10.716 48.266 1.00 16.34 O ATOM 1624 CB ASN A 117 8.796 10.583 49.341 1.00 17.28 C ATOM 1625 CG ASN A 117 7.975 10.912 50.572 1.00 17.59 C ATOM 1626 OD1 ASN A 117 8.457 11.569 51.490 1.00 20.68 O ATOM 1627 ND2 ASN A 117 6.739 10.453 50.598 1.00 19.12 N ATOM 1628 HA ASN A 117 9.962 12.384 49.580 1.00 0.00 H ATOM 1629 HB2 ASN A 117 8.136 10.171 48.578 1.00 0.00 H ATOM 1630 HB3 ASN A 117 9.549 9.841 49.608 1.00 0.00 H ATOM 1631 HD22 ASN A 117 6.373 9.900 49.797 1.00 0.00 H ATOM 1632 HD21 ASN A 117 6.131 10.644 51.420 1.00 0.00 H ATOM 1633 H ASN A 117 7.629 12.333 47.765 1.00 0.00 H ATOM 1634 N GLY A 118 10.571 11.855 46.594 1.00 15.69 N ATOM 1635 CA GLY A 118 11.579 11.503 45.606 1.00 14.75 C ATOM 1636 C GLY A 118 11.495 10.034 45.210 1.00 13.55 C ATOM 1637 O GLY A 118 10.452 9.401 45.357 1.00 12.74 O ATOM 1638 HA3 GLY A 118 12.566 11.700 46.023 1.00 0.00 H ATOM 1639 HA2 GLY A 118 11.432 12.117 44.718 1.00 0.00 H ATOM 1640 H GLY A 118 9.780 12.471 46.316 1.00 0.00 H ATOM 1641 N GLY A 119 12.601 9.502 44.701 1.00 12.86 N ATOM 1642 CA GLY A 119 12.632 8.137 44.208 1.00 12.29 C ATOM 1643 C GLY A 119 13.186 7.155 45.225 1.00 12.88 C ATOM 1644 O GLY A 119 13.746 7.557 46.257 1.00 13.20 O ATOM 1645 HA3 GLY A 119 13.256 8.103 43.315 1.00 0.00 H ATOM 1646 HA2 GLY A 119 11.616 7.836 43.951 1.00 0.00 H ATOM 1647 H GLY A 119 13.466 10.078 44.655 1.00 0.00 H ATOM 1648 N PRO A 120 13.059 5.854 44.926 1.00 12.97 N ATOM 1649 CA PRO A 120 13.791 4.859 45.681 1.00 12.75 C ATOM 1650 C PRO A 120 15.260 5.119 45.361 1.00 12.47 C ATOM 1651 O PRO A 120 15.541 5.879 44.424 1.00 12.61 O ATOM 1652 CB PRO A 120 13.324 3.536 45.051 1.00 12.70 C ATOM 1653 CG PRO A 120 12.937 3.896 43.661 1.00 12.44 C ATOM 1654 CD PRO A 120 12.309 5.256 43.801 1.00 12.84 C ATOM 1655 HA PRO A 120 13.646 4.861 46.761 1.00 0.00 H ATOM 1656 HD3 PRO A 120 12.435 5.842 42.890 1.00 0.00 H ATOM 1657 HD2 PRO A 120 11.248 5.176 44.036 1.00 0.00 H ATOM 1658 HG3 PRO A 120 12.222 3.178 43.259 1.00 0.00 H ATOM 1659 HG2 PRO A 120 13.812 3.938 43.013 1.00 0.00 H ATOM 1660 HB2 PRO A 120 14.132 2.805 45.048 1.00 0.00 H ATOM 1661 HB3 PRO A 120 12.471 3.131 45.595 1.00 0.00 H ATOM 1662 N ASN A 121 16.188 4.545 46.133 1.00 11.88 N ATOM 1663 CA ASN A 121 17.580 4.497 45.701 1.00 11.28 C ATOM 1664 C ASN A 121 17.594 3.525 44.529 1.00 11.62 C ATOM 1665 O ASN A 121 16.911 2.489 44.576 1.00 11.06 O ATOM 1666 CB ASN A 121 18.502 3.978 46.809 1.00 11.92 C ATOM 1667 CG ASN A 121 18.695 4.977 47.946 1.00 11.72 C ATOM 1668 OD1 ASN A 121 18.316 6.150 47.842 1.00 12.45 O ATOM 1669 ND2 ASN A 121 19.310 4.512 49.044 1.00 11.30 N ATOM 1670 HA ASN A 121 17.942 5.491 45.438 1.00 0.00 H ATOM 1671 HB2 ASN A 121 18.071 3.065 47.219 1.00 0.00 H ATOM 1672 HB3 ASN A 121 19.476 3.755 46.374 1.00 0.00 H ATOM 1673 HD22 ASN A 121 19.612 3.518 49.089 1.00 0.00 H ATOM 1674 HD21 ASN A 121 19.484 5.146 49.850 1.00 0.00 H ATOM 1675 H ASN A 121 15.916 4.130 47.047 1.00 0.00 H ATOM 1676 N VAL A 122 18.328 3.863 43.475 1.00 11.30 N ATOM 1677 CA VAL A 122 18.355 3.019 42.274 1.00 10.86 C ATOM 1678 C VAL A 122 19.790 2.578 41.979 1.00 10.93 C ATOM 1679 O VAL A 122 20.695 3.402 41.896 1.00 11.08 O ATOM 1680 CB VAL A 122 17.716 3.714 41.012 1.00 10.50 C ATOM 1681 CG1 VAL A 122 17.839 2.815 39.760 1.00 8.89 C ATOM 1682 CG2 VAL A 122 16.237 4.074 41.254 1.00 10.51 C ATOM 1683 HA VAL A 122 17.738 2.146 42.485 1.00 0.00 H ATOM 1684 HB VAL A 122 18.271 4.636 40.839 1.00 0.00 H ATOM 1685 HG11 VAL A 122 18.892 2.620 39.556 1.00 0.00 H ATOM 1686 HG12 VAL A 122 17.322 1.872 39.939 1.00 0.00 H ATOM 1687 HG13 VAL A 122 17.390 3.321 38.905 1.00 0.00 H ATOM 1688 HG21 VAL A 122 15.674 3.166 41.471 1.00 0.00 H ATOM 1689 HG22 VAL A 122 16.165 4.758 42.099 1.00 0.00 H ATOM 1690 HG23 VAL A 122 15.830 4.551 40.363 1.00 0.00 H ATOM 1691 H VAL A 122 18.891 4.737 43.501 1.00 0.00 H ATOM 1692 N ASP A 123 19.983 1.271 41.847 1.00 10.87 N ATOM 1693 CA ASP A 123 21.300 0.706 41.600 1.00 11.39 C ATOM 1694 C ASP A 123 21.627 0.755 40.102 1.00 11.32 C ATOM 1695 O ASP A 123 22.712 1.175 39.703 1.00 11.66 O ATOM 1696 CB ASP A 123 21.346 -0.736 42.156 1.00 11.81 C ATOM 1697 CG ASP A 123 22.675 -1.456 41.871 1.00 11.86 C ATOM 1698 OD1 ASP A 123 23.753 -0.836 41.966 1.00 13.08 O ATOM 1699 OD2 ASP A 123 22.634 -2.666 41.587 1.00 13.05 O ATOM 1700 HA ASP A 123 22.061 1.294 42.113 1.00 0.00 H ATOM 1701 HB2 ASP A 123 21.198 -0.696 43.235 1.00 0.00 H ATOM 1702 HB3 ASP A 123 20.538 -1.308 41.701 1.00 0.00 H ATOM 1703 H ASP A 123 19.167 0.631 41.923 1.00 0.00 H ATOM 1704 N LYS A 124 20.668 0.338 39.284 1.00 11.22 N ATOM 1705 CA LYS A 124 20.858 0.149 37.854 1.00 12.00 C ATOM 1706 C LYS A 124 19.526 -0.230 37.207 1.00 12.23 C ATOM 1707 O LYS A 124 18.536 -0.504 37.897 1.00 11.96 O ATOM 1708 CB LYS A 124 21.867 -0.978 37.577 1.00 11.30 C ATOM 1709 CG LYS A 124 21.465 -2.340 38.178 1.00 11.92 C ATOM 1710 CD LYS A 124 22.374 -3.507 37.686 1.00 12.21 C ATOM 1711 CE LYS A 124 22.138 -4.731 38.565 1.00 13.70 C ATOM 1712 NZ LYS A 124 23.006 -5.910 38.262 1.00 14.20 N ATOM 1713 HA LYS A 124 21.237 1.082 37.438 1.00 0.00 H ATOM 1714 HB2 LYS A 124 21.964 -1.094 36.498 1.00 0.00 H ATOM 1715 HB3 LYS A 124 22.830 -0.688 37.998 1.00 0.00 H ATOM 1716 HG2 LYS A 124 21.536 -2.277 39.264 1.00 0.00 H ATOM 1717 HG3 LYS A 124 20.435 -2.556 37.894 1.00 0.00 H ATOM 1718 HD2 LYS A 124 22.130 -3.748 36.651 1.00 0.00 H ATOM 1719 HD3 LYS A 124 23.420 -3.207 37.751 1.00 0.00 H ATOM 1720 HE2 LYS A 124 21.099 -5.037 38.445 1.00 0.00 H ATOM 1721 HE3 LYS A 124 22.312 -4.441 39.601 1.00 0.00 H ATOM 1722 HZ1 LYS A 124 22.845 -6.214 37.281 1.00 0.00 H ATOM 1723 HZ2 LYS A 124 24.004 -5.645 38.385 1.00 0.00 H ATOM 1724 HZ3 LYS A 124 22.770 -6.688 38.911 1.00 0.00 H ATOM 1725 H LYS A 124 19.731 0.136 39.687 1.00 0.00 H ATOM 1726 N ILE A 125 19.520 -0.235 35.876 1.00 12.13 N ATOM 1727 CA ILE A 125 18.500 -0.948 35.101 1.00 12.49 C ATOM 1728 C ILE A 125 19.205 -2.001 34.249 1.00 13.09 C ATOM 1729 O ILE A 125 20.388 -1.851 33.911 1.00 13.28 O ATOM 1730 CB ILE A 125 17.603 -0.015 34.197 1.00 11.94 C ATOM 1731 CG1 ILE A 125 18.426 0.689 33.092 1.00 12.45 C ATOM 1732 CG2 ILE A 125 16.788 0.950 35.074 1.00 12.15 C ATOM 1733 CD1 ILE A 125 17.554 1.476 32.045 1.00 12.31 C ATOM 1734 HA ILE A 125 17.807 -1.404 35.809 1.00 0.00 H ATOM 1735 HB ILE A 125 16.886 -0.633 33.658 1.00 0.00 H ATOM 1736 HG12 ILE A 125 19.108 1.393 33.569 1.00 0.00 H ATOM 1737 HG13 ILE A 125 19.002 -0.068 32.559 1.00 0.00 H ATOM 1738 HD11 ILE A 125 16.873 0.785 31.548 1.00 0.00 H ATOM 1739 HD12 ILE A 125 16.980 2.247 32.559 1.00 0.00 H ATOM 1740 HD13 ILE A 125 18.207 1.940 31.306 1.00 0.00 H ATOM 1741 HG21 ILE A 125 16.146 0.377 35.743 1.00 0.00 H ATOM 1742 HG22 ILE A 125 17.468 1.568 35.661 1.00 0.00 H ATOM 1743 HG23 ILE A 125 16.174 1.587 34.437 1.00 0.00 H ATOM 1744 H ILE A 125 20.264 0.285 35.368 1.00 0.00 H ATOM 1745 N THR A 126 18.485 -3.075 33.942 1.00 13.27 N ATOM 1746 CA THR A 126 19.022 -4.157 33.121 1.00 14.22 C ATOM 1747 C THR A 126 17.991 -4.509 32.044 1.00 14.52 C ATOM 1748 O THR A 126 16.803 -4.650 32.340 1.00 13.93 O ATOM 1749 CB THR A 126 19.329 -5.413 33.968 1.00 13.74 C ATOM 1750 OG1 THR A 126 20.163 -5.045 35.073 1.00 14.30 O ATOM 1751 CG2 THR A 126 20.032 -6.497 33.127 1.00 12.99 C ATOM 1752 HA THR A 126 19.956 -3.823 32.669 1.00 0.00 H ATOM 1753 HB THR A 126 18.387 -5.824 34.330 1.00 0.00 H ATOM 1754 HG1 THR A 126 19.694 -4.375 35.630 1.00 0.00 H ATOM 1755 HG23 THR A 126 19.394 -6.774 32.288 1.00 0.00 H ATOM 1756 HG21 THR A 126 20.979 -6.108 32.753 1.00 0.00 H ATOM 1757 HG22 THR A 126 20.218 -7.373 33.748 1.00 0.00 H ATOM 1758 H THR A 126 17.510 -3.147 34.297 1.00 0.00 H ATOM 1759 N LEU A 127 18.461 -4.621 30.807 1.00 15.60 N ATOM 1760 CA LEU A 127 17.597 -4.973 29.677 1.00 18.01 C ATOM 1761 C LEU A 127 18.396 -5.612 28.559 1.00 19.22 C ATOM 1762 O LEU A 127 19.614 -5.469 28.485 1.00 19.82 O ATOM 1763 CB LEU A 127 16.829 -3.754 29.129 1.00 17.98 C ATOM 1764 CG LEU A 127 17.531 -2.443 28.811 1.00 18.51 C ATOM 1765 CD1 LEU A 127 16.850 -1.780 27.630 1.00 20.54 C ATOM 1766 CD2 LEU A 127 17.522 -1.521 30.027 1.00 19.48 C ATOM 1767 HA LEU A 127 16.869 -5.690 30.056 1.00 0.00 H ATOM 1768 OXT LEU A 127 17.815 -6.259 27.690 1.00 20.48 O ATOM 1769 HB2 LEU A 127 16.356 -4.081 28.203 1.00 0.00 H ATOM 1770 HB3 LEU A 127 16.060 -3.519 29.865 1.00 0.00 H ATOM 1771 HG LEU A 127 18.570 -2.646 28.554 1.00 0.00 H ATOM 1772 HD21 LEU A 127 16.492 -1.310 30.314 1.00 0.00 H ATOM 1773 HD22 LEU A 127 18.039 -2.008 30.854 1.00 0.00 H ATOM 1774 HD23 LEU A 127 18.029 -0.589 29.778 1.00 0.00 H ATOM 1775 HD11 LEU A 127 16.902 -2.440 26.764 1.00 0.00 H ATOM 1776 HD12 LEU A 127 15.807 -1.584 27.877 1.00 0.00 H ATOM 1777 HD13 LEU A 127 17.353 -0.840 27.402 1.00 0.00 H ATOM 1778 H LEU A 127 19.473 -4.454 30.635 1.00 0.00 H TER 1779 LEU A 127 HETATM 1780 CA CA A 1 25.076 0.688 40.700 1.00 14.88 CA HETATM 1781 CA CA A 2 16.658 10.192 48.742 1.00 30.00 CA HETATM 1782 O HOH 3 21.929 9.019 56.548 1.00 31.38 O HETATM 1783 O HOH 4 20.582 13.585 52.616 1.00 47.19 O HETATM 1784 O HOH 5 24.402 -7.766 24.744 1.00 37.73 O HETATM 1785 O HOH 6 26.736 -1.165 29.632 1.00 32.21 O HETATM 1786 O HOH 7 26.419 -5.632 31.319 1.00 19.10 O HETATM 1787 O HOH 8 27.767 -2.054 33.440 1.00 30.60 O HETATM 1788 O HOH 9 27.845 -6.104 35.075 1.00 30.72 O HETATM 1789 O HOH 10 26.558 -8.090 28.753 1.00 36.54 O HETATM 1790 O HOH 11 29.698 -5.275 31.775 1.00 46.02 O HETATM 1791 O HOH 12 26.791 1.657 28.629 1.00 43.02 O HETATM 1792 O HOH 13 20.262 -5.753 24.735 1.00 48.06 O HETATM 1793 O HOH 14 26.265 2.782 31.412 1.00 30.27 O HETATM 1794 O HOH 15 18.550 -7.358 24.038 1.00 42.31 O HETATM 1795 O HOH 16 24.616 -1.651 25.300 1.00 31.21 O HETATM 1796 O HOH 17 20.819 -3.512 26.197 1.00 27.80 O HETATM 1797 O HOH 18 26.945 1.115 33.163 1.00 18.82 O HETATM 1798 O HOH 19 24.095 3.742 32.594 1.00 13.73 O HETATM 1799 O HOH 20 18.176 20.327 38.913 1.00 27.31 O HETATM 1800 O HOH 21 29.813 7.772 38.890 1.00 35.63 O HETATM 1801 O HOH 22 23.553 15.359 48.727 1.00 35.18 O HETATM 1802 O HOH 23 26.360 9.264 52.242 1.00 40.20 O HETATM 1803 O HOH 24 23.743 12.505 53.146 1.00 37.24 O HETATM 1804 O HOH 25 30.280 7.167 34.183 1.00 31.25 O HETATM 1805 O HOH 26 30.551 2.135 34.166 1.00 38.72 O HETATM 1806 O HOH 27 29.283 1.806 37.917 1.00 43.14 O HETATM 1807 O HOH 28 20.935 -0.908 56.796 1.00 31.16 O HETATM 1808 O HOH 29 24.360 -3.810 55.411 1.00 25.98 O HETATM 1809 O HOH 30 27.353 -1.260 55.359 1.00 36.21 O HETATM 1810 O HOH 31 23.987 -8.890 42.017 1.00 35.18 O HETATM 1811 O HOH 32 26.852 9.951 36.194 1.00 22.19 O HETATM 1812 O HOH 33 21.039 11.955 29.182 1.00 27.07 O HETATM 1813 O HOH 34 25.129 12.893 31.288 1.00 35.59 O HETATM 1814 O HOH 35 9.978 4.235 20.172 1.00 33.18 O HETATM 1815 O HOH 36 24.701 13.400 35.766 1.00 19.94 O HETATM 1816 O HOH 37 18.197 11.679 41.116 1.00 23.79 O HETATM 1817 O HOH 38 19.987 20.413 43.665 1.00 21.99 O HETATM 1818 O HOH 39 20.462 18.456 39.018 1.00 29.82 O HETATM 1819 O HOH 40 6.109 18.235 45.354 1.00 35.31 O HETATM 1820 O HOH 41 9.249 18.463 48.582 1.00 36.36 O HETATM 1821 O HOH 42 6.627 4.391 20.540 1.00 35.19 O HETATM 1822 O HOH 43 26.792 12.787 42.832 1.00 21.28 O HETATM 1823 O HOH 44 27.917 12.226 45.928 1.00 39.77 O HETATM 1824 O HOH 45 26.363 6.715 26.698 1.00 32.58 O HETATM 1825 O HOH 46 22.291 12.841 49.043 1.00 27.72 O HETATM 1826 O HOH 47 22.975 10.103 52.169 1.00 25.14 O HETATM 1827 O HOH 48 22.531 6.742 50.584 1.00 14.44 O HETATM 1828 O HOH 49 26.442 12.420 48.950 1.00 30.15 O HETATM 1829 O HOH 50 28.093 7.387 50.055 1.00 19.39 O HETATM 1830 O HOH 51 30.713 5.079 51.291 1.00 24.44 O HETATM 1831 O HOH 52 30.083 6.904 46.468 1.00 24.33 O HETATM 1832 O HOH 53 30.780 8.333 48.455 1.00 35.74 O HETATM 1833 O HOH 54 29.019 -1.023 51.845 1.00 33.84 O HETATM 1834 O HOH 55 26.482 5.977 56.353 1.00 35.13 O HETATM 1835 O HOH 56 23.245 0.428 55.504 1.00 22.13 O HETATM 1836 O HOH 57 24.819 -1.416 54.419 1.00 14.89 O HETATM 1837 O HOH 58 25.074 -7.789 44.711 1.00 32.29 O HETATM 1838 O HOH 59 32.152 -0.787 46.212 1.00 14.19 O HETATM 1839 O HOH 60 3.462 9.442 48.782 1.00 39.99 O HETATM 1840 O HOH 61 3.820 -1.791 44.828 1.00 27.89 O HETATM 1841 O HOH 62 29.383 -3.001 43.737 1.00 9.52 O HETATM 1842 O HOH 63 8.349 12.044 32.653 1.00 35.17 O HETATM 1843 O HOH 64 6.685 14.331 36.487 1.00 34.36 O HETATM 1844 O HOH 65 32.634 1.321 44.413 1.00 12.95 O HETATM 1845 O HOH 66 30.791 5.397 44.350 1.00 22.65 O HETATM 1846 O HOH 67 11.069 6.251 21.052 1.00 41.50 O HETATM 1847 O HOH 68 21.120 9.660 22.499 1.00 43.71 O HETATM 1848 O HOH 69 10.099 -7.045 52.376 1.00 44.39 O HETATM 1849 O HOH 70 15.226 -9.142 52.696 1.00 31.23 O HETATM 1850 O HOH 71 21.175 17.746 44.347 1.00 31.99 O HETATM 1851 O HOH 72 17.637 19.035 44.924 1.00 24.09 O HETATM 1852 O HOH 73 20.127 12.693 47.320 1.00 14.06 O HETATM 1853 O HOH 74 20.410 -3.399 56.932 1.00 39.19 O HETATM 1854 O HOH 75 13.372 -6.099 56.236 1.00 40.51 O HETATM 1855 O HOH 76 17.174 14.741 49.816 1.00 21.01 O HETATM 1856 O HOH 77 17.864 11.519 50.009 1.00 26.25 O HETATM 1857 O HOH 78 18.005 -9.221 38.959 1.00 22.66 O HETATM 1858 O HOH 79 8.709 17.978 45.939 1.00 25.79 O HETATM 1859 O HOH 80 13.748 15.578 35.955 1.00 34.92 O HETATM 1860 O HOH 81 13.992 18.281 38.074 1.00 26.12 O HETATM 1861 O HOH 82 8.251 3.126 18.819 1.00 35.79 O HETATM 1862 O HOH 83 17.739 12.545 34.656 1.00 12.71 O HETATM 1863 O HOH 84 17.968 13.825 32.399 1.00 19.19 O HETATM 1864 O HOH 85 14.446 9.991 27.722 1.00 21.77 O HETATM 1865 O HOH 86 8.863 18.739 38.419 1.00 32.56 O HETATM 1866 O HOH 87 8.117 15.981 51.730 1.00 46.34 O HETATM 1867 O HOH 88 25.139 3.727 28.220 1.00 38.03 O HETATM 1868 O HOH 89 21.749 9.282 29.601 1.00 24.19 O HETATM 1869 O HOH 90 23.399 5.840 30.788 1.00 19.66 O HETATM 1870 O HOH 91 24.584 2.362 25.055 1.00 33.78 O HETATM 1871 O HOH 92 17.686 -9.070 34.849 1.00 32.48 O HETATM 1872 O HOH 93 22.457 -3.489 20.281 1.00 35.34 O HETATM 1873 O HOH 94 18.478 -7.391 15.317 1.00 30.82 O HETATM 1874 O HOH 95 15.277 -8.980 15.112 1.00 40.44 O HETATM 1875 O HOH 96 11.613 -5.605 15.761 1.00 19.72 O HETATM 1876 O HOH 97 12.246 -6.637 19.436 1.00 34.90 O HETATM 1877 O HOH 98 8.404 -2.991 16.774 1.00 37.09 O HETATM 1878 O HOH 99 7.652 -1.271 18.697 1.00 31.48 O HETATM 1879 O HOH 100 11.814 -7.159 21.926 1.00 39.33 O HETATM 1880 O HOH 101 7.807 -6.257 21.021 1.00 31.25 O HETATM 1881 O HOH 102 5.979 -3.131 20.567 1.00 39.32 O HETATM 1882 O HOH 103 15.954 -7.750 21.246 1.00 40.58 O HETATM 1883 O HOH 104 7.180 -7.921 32.002 1.00 36.99 O HETATM 1884 O HOH 105 13.009 -7.788 26.929 1.00 21.67 O HETATM 1885 O HOH 106 8.573 -11.050 29.226 1.00 40.29 O HETATM 1886 O HOH 107 19.184 -8.460 42.694 1.00 33.26 O HETATM 1887 O HOH 108 22.326 -7.156 47.995 1.00 30.92 O HETATM 1888 O HOH 109 9.213 -3.472 46.975 1.00 28.04 O HETATM 1889 O HOH 110 2.000 3.578 54.861 1.00 43.41 O HETATM 1890 O HOH 111 4.370 3.507 58.400 1.00 23.29 O HETATM 1891 O HOH 112 6.696 5.907 55.424 1.00 21.27 O HETATM 1892 O HOH 113 2.490 6.108 54.007 1.00 42.07 O HETATM 1893 O HOH 114 2.858 4.718 44.748 1.00 28.51 O HETATM 1894 O HOH 115 2.632 6.857 46.312 1.00 30.90 O HETATM 1895 O HOH 116 2.157 0.803 45.953 1.00 38.92 O HETATM 1896 O HOH 117 2.519 3.918 50.015 1.00 24.16 O HETATM 1897 O HOH 118 5.982 8.837 48.007 1.00 23.51 O HETATM 1898 O HOH 119 10.651 9.301 53.779 1.00 37.85 O HETATM 1899 O HOH 120 8.980 7.374 51.654 1.00 21.09 O HETATM 1900 O HOH 121 2.227 9.566 37.748 1.00 22.35 O HETATM 1901 O HOH 122 2.443 10.419 33.864 1.00 27.13 O HETATM 1902 O HOH 123 6.239 12.615 34.204 1.00 32.54 O HETATM 1903 O HOH 124 12.214 11.208 28.353 1.00 17.61 O HETATM 1904 O HOH 125 10.115 10.168 32.865 1.00 17.43 O HETATM 1905 O HOH 126 9.890 8.480 22.102 1.00 38.81 O HETATM 1906 O HOH 127 15.642 12.848 24.580 1.00 42.98 O HETATM 1907 O HOH 128 18.284 9.078 21.902 1.00 29.72 O HETATM 1908 O HOH 129 14.130 6.538 21.215 1.00 26.10 O HETATM 1909 O HOH 130 7.488 12.640 29.553 1.00 42.64 O HETATM 1910 O HOH 131 0.038 8.060 36.949 1.00 24.73 O HETATM 1911 O HOH 132 2.070 3.066 32.879 1.00 15.24 O HETATM 1912 O HOH 133 0.014 4.850 39.349 1.00 22.92 O HETATM 1913 O HOH 134 1.779 4.536 42.290 1.00 28.26 O HETATM 1914 O HOH 135 2.733 0.276 40.178 1.00 18.43 O HETATM 1915 O HOH 136 6.830 -2.161 44.637 1.00 27.87 O HETATM 1916 O HOH 137 8.104 -3.016 55.202 1.00 40.40 O HETATM 1917 O HOH 138 5.240 -0.096 50.553 1.00 25.79 O HETATM 1918 O HOH 139 6.622 -4.057 49.872 1.00 30.04 O HETATM 1919 O HOH 140 13.295 -6.856 51.764 1.00 17.68 O HETATM 1920 O HOH 141 9.628 -5.119 53.656 1.00 40.24 O HETATM 1921 O HOH 142 19.577 -5.250 55.458 1.00 30.11 O HETATM 1922 O HOH 143 15.782 -6.215 55.025 1.00 28.62 O HETATM 1923 O HOH 144 19.881 1.613 49.029 1.00 13.32 O HETATM 1924 O HOH 145 18.515 0.339 56.158 1.00 14.57 O HETATM 1925 O HOH 146 22.782 -6.071 50.418 1.00 26.99 O HETATM 1926 O HOH 147 17.277 -7.980 43.965 1.00 23.88 O HETATM 1927 O HOH 148 19.196 -7.630 48.190 1.00 26.46 O HETATM 1928 O HOH 149 11.690 -9.056 42.752 1.00 28.52 O HETATM 1929 O HOH 150 9.462 -5.488 43.041 1.00 35.12 O HETATM 1930 O HOH 151 15.365 -9.986 39.074 1.00 18.78 O HETATM 1931 O HOH 152 3.408 -3.584 39.247 1.00 25.18 O HETATM 1932 O HOH 153 6.155 -6.263 35.787 1.00 34.76 O HETATM 1933 O HOH 154 11.415 -9.576 34.022 1.00 32.93 O HETATM 1934 O HOH 155 8.614 -7.090 38.455 1.00 26.64 O HETATM 1935 O HOH 156 6.709 -5.574 37.973 1.00 42.68 O HETATM 1936 O HOH 157 6.084 -5.790 33.254 1.00 44.81 O HETATM 1937 O HOH 158 11.891 -8.317 38.140 1.00 44.42 O HETATM 1938 O HOH 159 9.642 0.736 18.692 1.00 20.62 O HETATM 1939 O HOH 160 17.424 4.655 18.074 1.00 18.60 O HETATM 1940 O HOH 161 21.279 4.381 17.302 1.00 23.19 O HETATM 1941 O HOH 162 15.740 15.072 29.466 1.00 39.82 O HETATM 1942 O HOH 163 7.769 15.324 38.733 1.00 31.96 O HETATM 1943 O HOH 164 1.707 12.938 42.375 1.00 40.51 O HETATM 1944 O HOH 165 2.884 8.702 40.096 1.00 24.64 O HETATM 1945 O HOH 166 8.133 9.646 44.087 1.00 14.30 O HETATM 1946 O HOH 167 3.901 14.441 47.057 1.00 24.93 O HETATM 1947 O HOH 168 10.331 16.021 50.274 1.00 35.41 O HETATM 1948 O HOH 169 4.967 10.306 52.819 1.00 36.56 O HETATM 1949 O HOH 170 8.226 8.979 53.653 1.00 35.29 O HETATM 1950 O HOH 171 10.844 12.061 52.184 1.00 24.80 O HETATM 1951 O HOH 172 14.233 9.987 47.648 1.00 17.15 O HETATM 1952 O HOH 173 16.491 7.845 47.079 1.00 10.71 O HETATM 1953 O HOH 174 22.230 -7.564 40.359 1.00 22.15 O HETATM 1954 O HOH 175 25.800 -5.890 37.913 1.00 20.33 O HETATM 1955 O HOH 176 21.392 -7.997 36.683 1.00 25.26 O HETATM 1956 O HOH 177 17.084 -7.892 31.970 1.00 40.17 O HETATM 1957 O HOH 178 18.659 -4.732 37.211 1.00 10.42 O HETATM 1958 O HOH 179 18.693 -7.486 37.037 1.00 21.20 O HETATM 1959 O HOH 180 15.440 -7.165 28.032 1.00 33.98 O HETATM 1960 O HOH 181 20.006 10.930 52.285 1.00 20.74 O HETATM 1961 O HOH 182 18.267 10.022 56.684 1.00 24.19 O HETATM 1962 O HOH 183 22.197 8.308 53.936 1.00 23.84 O HETATM 1963 O HOH 184 14.399 7.787 55.178 1.00 18.42 O HETATM 1964 O HOH 185 20.027 5.171 56.609 1.00 25.84 O HETATM 1965 O HOH 186 27.304 -7.069 49.346 1.00 31.26 O HETATM 1966 O HOH 187 4.190 -1.891 26.970 1.00 33.40 O HETATM 1967 O HOH 188 7.987 4.744 24.410 1.00 41.50 O HETATM 1968 C1 GCU A 189 18.123 7.663 54.191 1.00 0.19 C HETATM 1969 C2 GCU A 189 18.943 6.672 53.353 1.00 0.13 C HETATM 1970 C3 GCU A 189 19.100 7.196 51.929 1.00 0.12 C HETATM 1971 C4 GCU A 189 17.728 7.444 51.327 1.00 0.12 C HETATM 1972 C5 GCU A 189 16.928 8.434 52.191 1.00 0.14 C HETATM 1973 C6 GCU A 189 15.506 8.615 51.654 1.00 0.07 C HETATM 1974 O6A GCU A 189 15.314 8.892 50.440 1.00 -0.57 O HETATM 1975 O6B GCU A 189 14.558 8.455 52.449 1.00 -0.57 O HETATM 1976 O5 GCU A 189 16.880 7.973 53.548 1.00 -0.33 O HETATM 1977 H5 GCU A 189 17.437 9.409 52.166 1.00 0.08 H HETATM 1978 O4 GCU A 189 17.876 7.894 49.996 1.00 -0.38 O HETATM 1979 H9 GCU A 189 18.374 7.255 49.500 1.00 0.21 H HETATM 1980 H4 GCU A 189 17.178 6.491 51.308 1.00 0.07 H HETATM 1981 O3 GCU A 189 19.824 6.273 51.142 1.00 -0.39 O HETATM 1982 H8 GCU A 189 20.678 6.129 51.531 1.00 0.21 H HETATM 1983 H3 GCU A 189 19.654 8.146 51.958 1.00 0.06 H HETATM 1984 O2 GCU A 189 20.217 6.444 53.916 1.00 -0.38 O HETATM 1985 H7 GCU A 189 20.706 7.258 53.931 1.00 0.21 H HETATM 1986 H2 GCU A 189 18.401 5.715 53.320 1.00 0.07 H HETATM 1987 O1 GCU A 189 18.882 8.840 54.366 1.00 -0.36 O HETATM 1988 H6 GCU A 189 18.395 9.452 54.905 1.00 0.21 H HETATM 1989 H1 GCU A 189 17.913 7.216 55.174 1.00 0.09 H CONECT 71 70 1780 CONECT 98 97 1780 CONECT 99 97 1780 CONECT 324 323 1780 CONECT 405 404 1781 CONECT 416 415 1781 CONECT 453 451 457 458 1781 CONECT 1780 71 98 99 324 CONECT 1781 405 416 453 CONECT 1968 1969 1976 1987 1989 CONECT 1969 1968 1970 1984 1986 CONECT 1970 1969 1971 1981 1983 CONECT 1971 1970 1972 1978 1980 CONECT 1972 1971 1973 1976 1977 CONECT 1973 1972 1974 1975 CONECT 1974 1973 CONECT 1975 1973 CONECT 1976 1968 1972 CONECT 1977 1972 CONECT 1978 1971 1979 CONECT 1979 1978 CONECT 1980 1971 CONECT 1981 1970 1982 CONECT 1982 1981 CONECT 1983 1970 CONECT 1984 1969 1985 CONECT 1985 1984 CONECT 1986 1969 CONECT 1987 1968 1988 CONECT 1988 1987 CONECT 1989 1968 MASTER 0 0 0 0 0 0 0 0 1988 1 31 10 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 2vzr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2x09
RCSB PDB
PDBbind
1032aa, >2X09_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2w87
RCSB PDB
PDBbind
GCU
Entry Information
PDB ID
2vzr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Exo-Beta-D-Glucosaminidase
Ligand Name
GCU
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=52.6uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 3065-3070
Ligand Properties
Formula
C
6
H
1
0
O
7
Molecular Weight
194.139
Exact Mass
194.043
No. of atoms
23
No. of bonds
23
Polar Surface Area
127.45
LOGP Value
-1.46 (
Computed with XLOGP3
)
-3.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 1
Canonical SMILES
O[C@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O
InChI String
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/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):
Q56F26
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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