Browse entries in the PDBbind-CN Database
HEADER 4QYO_COMPLEX COMPND 4QYO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLN VAL GLN LEU GLN GLN SER GLY ASP GLU LEU VAL LYS SEQRES 2 A 114 PRO GLY ALA SER VAL LYS LEU SER CYS THR VAL SER GLY SEQRES 3 A 114 PHE ASN ILE LYS ASP ASP PHE ILE HIS TRP MET LYS GLN SEQRES 4 A 114 ARG PRO GLU GLN GLY LEU GLU TRP ILE GLY ARG ILE ASP SEQRES 5 A 114 PRO ALA ASN GLY TYR THR LYS TYR ALA PRO LYS PHE GLN SEQRES 6 A 114 ASP LYS ALA THR MET THR ALA ASP THR SER SER ASN THR SEQRES 7 A 114 ALA TYR LEU GLN LEU SER SER LEU ALA SER GLU ASP ALA SEQRES 8 A 114 ALA VAL TYR TYR CYS ALA THR TYR GLY VAL ALA TYR TRP SEQRES 9 A 114 GLY GLN GLY THR LEU VAL THR VAL SER ALA SEQRES 1 B 111 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 B 111 SER LEU GLY GLN ARG ALA THR ILE SER CYS LYS ALA SER SEQRES 3 B 111 GLN SER VAL ASP HIS ASP GLY ASP SER TYR MET ASN TRP SEQRES 4 B 111 PHE GLN GLN LYS PRO GLY GLN SER PRO LYS LEU LEU ILE SEQRES 5 B 111 TYR ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 B 111 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 B 111 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 B 111 CYS GLN GLN THR ASN GLU ASP PRO TYR THR PHE GLY GLY SEQRES 9 B 111 GLY THR LYS LEU GLU ILE LYS HET ACE A 603 163 SSBOND 1 CYS A 22 CYS A 96 SSBOND 2 CYS B 23 CYS B 92 ATOM 1 N GLN A 1 31.597 2.479 30.140 1.00 40.79 N ATOM 2 CA GLN A 1 31.043 1.307 29.397 1.00 38.71 C ATOM 3 C GLN A 1 29.550 1.467 29.111 1.00 34.87 C ATOM 4 O GLN A 1 28.986 0.756 28.280 1.00 37.65 O ATOM 5 CB GLN A 1 31.282 0.018 30.189 1.00 37.67 C ATOM 6 HN3 GLN A 1 31.100 2.579 31.048 1.00 0.00 H ATOM 7 HN2 GLN A 1 31.464 3.341 29.574 1.00 0.00 H ATOM 8 HN1 GLN A 1 32.612 2.330 30.313 1.00 0.00 H ATOM 9 N VAL A 2 28.920 2.405 29.807 1.00 30.31 N ATOM 10 CA VAL A 2 27.492 2.645 29.667 1.00 27.70 C ATOM 11 C VAL A 2 27.220 3.620 28.519 1.00 22.45 C ATOM 12 O VAL A 2 27.813 4.701 28.469 1.00 22.64 O ATOM 13 CB VAL A 2 26.911 3.200 30.970 1.00 28.65 C ATOM 14 CG1 VAL A 2 25.404 3.396 30.853 1.00 29.49 C ATOM 15 CG2 VAL A 2 27.234 2.257 32.130 1.00 29.50 C ATOM 16 H VAL A 2 29.465 2.988 30.474 1.00 0.00 H ATOM 17 N GLN A 3 26.350 3.205 27.595 1.00 20.08 N ATOM 18 CA GLN A 3 25.964 4.032 26.454 1.00 18.55 C ATOM 19 C GLN A 3 24.454 4.150 26.390 1.00 14.72 C ATOM 20 O GLN A 3 23.737 3.152 26.491 1.00 16.58 O ATOM 21 CB GLN A 3 26.461 3.431 25.141 1.00 19.10 C ATOM 22 H GLN A 3 25.932 2.258 27.691 1.00 0.00 H ATOM 23 N LEU A 4 23.970 5.380 26.218 1.00 13.26 N ATOM 24 CA LEU A 4 22.552 5.623 25.970 1.00 11.63 C ATOM 25 C LEU A 4 22.430 6.108 24.528 1.00 14.21 C ATOM 26 O LEU A 4 22.872 7.212 24.211 1.00 14.13 O ATOM 27 CB LEU A 4 21.978 6.670 26.945 1.00 11.73 C ATOM 28 CG LEU A 4 21.919 6.235 28.416 1.00 12.24 C ATOM 29 CD1 LEU A 4 23.261 6.469 29.093 1.00 19.12 C ATOM 30 CD2 LEU A 4 20.827 6.962 29.188 1.00 14.18 C ATOM 31 H LEU A 4 24.621 6.190 26.262 1.00 0.00 H ATOM 32 N GLN A 5 21.847 5.281 23.673 1.00 12.33 N ATOM 33 CA GLN A 5 21.728 5.590 22.248 1.00 11.47 C ATOM 34 C GLN A 5 20.299 5.991 21.935 1.00 12.03 C ATOM 35 O GLN A 5 19.384 5.164 21.985 1.00 12.41 O ATOM 36 CB GLN A 5 22.139 4.391 21.390 1.00 15.48 C ATOM 37 CG GLN A 5 22.034 4.633 19.878 1.00 26.90 C ATOM 38 CD GLN A 5 22.999 5.692 19.373 1.00 38.03 C ATOM 39 OE1 GLN A 5 24.058 5.918 19.959 1.00 41.66 O ATOM 40 NE2 GLN A 5 22.635 6.346 18.277 1.00 42.75 N ATOM 41 HE22 GLN A 5 21.731 6.122 17.814 1.00 0.00 H ATOM 42 HE21 GLN A 5 23.254 7.082 17.881 1.00 0.00 H ATOM 43 H GLN A 5 21.461 4.382 24.026 1.00 0.00 H ATOM 44 N GLN A 6 20.110 7.264 21.590 1.00 10.41 N ATOM 45 CA GLN A 6 18.778 7.762 21.307 1.00 10.50 C ATOM 46 C GLN A 6 18.454 7.681 19.821 1.00 11.23 C ATOM 47 O GLN A 6 19.336 7.644 18.955 1.00 14.58 O ATOM 48 CB GLN A 6 18.611 9.181 21.837 1.00 9.64 C ATOM 49 CG GLN A 6 18.681 9.242 23.361 1.00 9.96 C ATOM 50 CD GLN A 6 18.396 10.611 23.949 1.00 9.56 C ATOM 51 OE1 GLN A 6 19.273 11.238 24.556 1.00 9.79 O ATOM 52 NE2 GLN A 6 17.173 11.094 23.767 1.00 9.24 N ATOM 53 HE22 GLN A 6 16.464 10.535 23.251 1.00 0.00 H ATOM 54 HE21 GLN A 6 16.923 12.032 24.141 1.00 0.00 H ATOM 55 H GLN A 6 20.925 7.906 21.523 1.00 0.00 H ATOM 56 N SER A 7 17.167 7.599 19.541 1.00 11.84 N ATOM 57 CA SER A 7 16.677 7.510 18.179 1.00 12.77 C ATOM 58 C SER A 7 16.883 8.813 17.395 1.00 14.49 C ATOM 59 O SER A 7 17.223 9.866 17.948 1.00 13.43 O ATOM 60 CB SER A 7 15.208 7.089 18.207 1.00 13.03 C ATOM 61 OG SER A 7 14.443 7.915 19.065 1.00 13.28 O ATOM 62 HG SER A 7 14.493 8.852 18.750 1.00 0.00 H ATOM 63 H SER A 7 16.481 7.598 20.323 1.00 0.00 H ATOM 64 N GLY A 8 16.685 8.705 16.088 1.00 15.52 N ATOM 65 CA GLY A 8 17.028 9.769 15.171 1.00 16.73 C ATOM 66 C GLY A 8 16.062 10.927 15.222 1.00 16.10 C ATOM 67 O GLY A 8 14.955 10.817 15.737 1.00 18.40 O ATOM 68 H GLY A 8 16.271 7.829 15.711 1.00 0.00 H ATOM 69 N ASP A 9 16.469 12.042 14.643 1.00 18.18 N ATOM 70 CA ASP A 9 15.648 13.228 14.691 1.00 18.42 C ATOM 71 C ASP A 9 14.333 13.003 13.954 1.00 16.02 C ATOM 72 O ASP A 9 14.252 12.215 13.003 1.00 16.78 O ATOM 73 CB ASP A 9 16.423 14.409 14.129 1.00 21.77 C ATOM 74 CG ASP A 9 17.738 14.648 14.863 1.00 21.86 C ATOM 75 OD1 ASP A 9 17.901 14.238 16.053 1.00 20.08 O ATOM 76 OD2 ASP A 9 18.607 15.267 14.233 1.00 22.51 O ATOM 77 H ASP A 9 17.385 12.066 14.151 1.00 0.00 H ATOM 78 N GLU A 10 13.305 13.705 14.417 1.00 16.30 N ATOM 79 CA GLU A 10 11.962 13.575 13.868 1.00 16.52 C ATOM 80 C GLU A 10 11.347 14.917 13.492 1.00 14.87 C ATOM 81 O GLU A 10 11.350 15.844 14.300 1.00 16.94 O ATOM 82 CB GLU A 10 11.038 12.935 14.900 1.00 23.72 C ATOM 83 CG GLU A 10 11.416 11.519 15.304 1.00 34.33 C ATOM 84 CD GLU A 10 11.198 10.511 14.195 1.00 43.68 C ATOM 85 OE1 GLU A 10 10.515 10.846 13.208 1.00 43.87 O ATOM 86 OE2 GLU A 10 11.720 9.380 14.307 1.00 47.93 O ATOM 87 H GLU A 10 13.465 14.371 15.199 1.00 0.00 H ATOM 88 N LEU A 11 10.782 14.992 12.287 1.00 14.85 N ATOM 89 CA LEU A 11 9.911 16.097 11.892 1.00 16.93 C ATOM 90 C LEU A 11 8.462 15.653 12.070 1.00 17.44 C ATOM 91 O LEU A 11 8.043 14.654 11.488 1.00 18.44 O ATOM 92 CB LEU A 11 10.170 16.494 10.441 1.00 19.74 C ATOM 93 CG LEU A 11 9.300 17.639 9.927 1.00 20.76 C ATOM 94 CD1 LEU A 11 9.540 18.938 10.687 1.00 21.29 C ATOM 95 CD2 LEU A 11 9.551 17.838 8.445 1.00 24.23 C ATOM 96 H LEU A 11 10.969 14.234 11.600 1.00 0.00 H ATOM 97 N VAL A 12 7.709 16.395 12.878 1.00 15.08 N ATOM 98 CA VAL A 12 6.372 15.980 13.286 1.00 17.78 C ATOM 99 C VAL A 12 5.329 17.053 12.970 1.00 16.65 C ATOM 100 O VAL A 12 5.636 18.236 12.963 1.00 18.40 O ATOM 101 CB VAL A 12 6.332 15.665 14.801 1.00 18.08 C ATOM 102 CG1 VAL A 12 7.375 14.629 15.153 1.00 18.49 C ATOM 103 CG2 VAL A 12 6.561 16.921 15.628 1.00 22.74 C ATOM 104 H VAL A 12 8.086 17.299 13.229 1.00 0.00 H ATOM 105 N LYS A 13 4.096 16.623 12.730 1.00 17.88 N ATOM 106 CA LYS A 13 3.023 17.549 12.401 1.00 19.30 C ATOM 107 C LYS A 13 2.214 17.927 13.650 1.00 18.14 C ATOM 108 O LYS A 13 2.071 17.114 14.568 1.00 17.41 O ATOM 109 CB LYS A 13 2.116 16.932 11.337 1.00 22.34 C ATOM 110 CG LYS A 13 2.832 16.655 10.019 1.00 22.84 C ATOM 111 CD LYS A 13 1.900 16.034 9.006 1.00 25.69 C ATOM 112 CE LYS A 13 2.651 15.470 7.810 1.00 24.10 C ATOM 113 NZ LYS A 13 3.468 16.482 7.089 1.00 23.27 N ATOM 114 HZ1 LYS A 13 2.848 17.240 6.738 1.00 0.00 H ATOM 115 HZ2 LYS A 13 4.174 16.883 7.739 1.00 0.00 H ATOM 116 HZ3 LYS A 13 3.951 16.029 6.287 1.00 0.00 H ATOM 117 H LYS A 13 3.893 15.604 12.778 1.00 0.00 H ATOM 118 N PRO A 14 1.698 19.166 13.693 1.00 18.41 N ATOM 119 CA PRO A 14 0.857 19.573 14.826 1.00 18.26 C ATOM 120 C PRO A 14 -0.325 18.605 15.003 1.00 18.34 C ATOM 121 O PRO A 14 -0.954 18.219 14.011 1.00 21.13 O ATOM 122 CB PRO A 14 0.369 20.963 14.421 1.00 20.75 C ATOM 123 CG PRO A 14 1.383 21.456 13.459 1.00 22.58 C ATOM 124 CD PRO A 14 1.890 20.256 12.723 1.00 21.25 C ATOM 125 N GLY A 15 -0.608 18.224 16.248 1.00 17.12 N ATOM 126 CA GLY A 15 -1.702 17.315 16.556 1.00 20.42 C ATOM 127 C GLY A 15 -1.298 15.855 16.616 1.00 22.31 C ATOM 128 O GLY A 15 -2.009 15.026 17.193 1.00 23.95 O ATOM 129 H GLY A 15 -0.026 18.590 17.028 1.00 0.00 H ATOM 130 N ALA A 16 -0.166 15.526 16.005 1.00 19.88 N ATOM 131 CA ALA A 16 0.288 14.143 15.969 1.00 18.77 C ATOM 132 C ALA A 16 0.974 13.743 17.266 1.00 18.25 C ATOM 133 O ALA A 16 1.133 14.549 18.191 1.00 20.03 O ATOM 134 CB ALA A 16 1.221 13.918 14.784 1.00 19.43 C ATOM 135 H ALA A 16 0.404 16.265 15.546 1.00 0.00 H ATOM 136 N SER A 17 1.379 12.483 17.315 1.00 17.77 N ATOM 137 CA SER A 17 2.153 11.961 18.418 1.00 16.98 C ATOM 138 C SER A 17 3.483 11.469 17.875 1.00 15.93 C ATOM 139 O SER A 17 3.617 11.189 16.686 1.00 17.22 O ATOM 140 CB SER A 17 1.375 10.826 19.095 1.00 23.06 C ATOM 141 OG SER A 17 2.161 10.161 20.069 1.00 33.40 O ATOM 142 HG SER A 17 2.964 9.775 19.636 1.00 0.00 H ATOM 143 H SER A 17 1.131 11.846 16.531 1.00 0.00 H ATOM 144 N VAL A 18 4.479 11.379 18.744 1.00 13.64 N ATOM 145 CA VAL A 18 5.756 10.787 18.366 1.00 15.26 C ATOM 146 C VAL A 18 6.314 10.000 19.545 1.00 11.49 C ATOM 147 O VAL A 18 6.089 10.365 20.695 1.00 12.73 O ATOM 148 CB VAL A 18 6.755 11.877 17.866 1.00 14.95 C ATOM 149 CG1 VAL A 18 7.229 12.784 19.003 1.00 16.89 C ATOM 150 CG2 VAL A 18 7.927 11.237 17.154 1.00 16.76 C ATOM 151 H VAL A 18 4.347 11.737 19.712 1.00 0.00 H ATOM 152 N LYS A 19 7.041 8.922 19.261 1.00 12.80 N ATOM 153 CA LYS A 19 7.618 8.087 20.300 1.00 12.06 C ATOM 154 C LYS A 19 9.118 7.981 20.089 1.00 12.12 C ATOM 155 O LYS A 19 9.590 7.505 19.054 1.00 14.98 O ATOM 156 CB LYS A 19 6.963 6.716 20.316 1.00 14.99 C ATOM 157 CG LYS A 19 7.347 5.849 21.507 1.00 14.23 C ATOM 158 CD LYS A 19 6.501 4.581 21.491 1.00 17.73 C ATOM 159 CE LYS A 19 6.673 3.734 22.720 1.00 20.68 C ATOM 160 NZ LYS A 19 5.788 2.524 22.642 1.00 25.18 N ATOM 161 HZ1 LYS A 19 4.795 2.826 22.572 1.00 0.00 H ATOM 162 HZ2 LYS A 19 6.042 1.964 21.803 1.00 0.00 H ATOM 163 HZ3 LYS A 19 5.916 1.947 23.497 1.00 0.00 H ATOM 164 H LYS A 19 7.201 8.670 18.265 1.00 0.00 H ATOM 165 N LEU A 20 9.857 8.476 21.075 1.00 11.12 N ATOM 166 CA LEU A 20 11.319 8.524 21.034 1.00 9.98 C ATOM 167 C LEU A 20 11.870 7.370 21.848 1.00 11.28 C ATOM 168 O LEU A 20 11.252 6.962 22.829 1.00 12.24 O ATOM 169 CB LEU A 20 11.824 9.828 21.649 1.00 10.56 C ATOM 170 CG LEU A 20 11.147 11.123 21.194 1.00 11.88 C ATOM 171 CD1 LEU A 20 11.840 12.305 21.857 1.00 13.86 C ATOM 172 CD2 LEU A 20 11.136 11.271 19.692 1.00 16.15 C ATOM 173 H LEU A 20 9.373 8.848 21.917 1.00 0.00 H ATOM 174 N SER A 21 13.023 6.838 21.461 1.00 10.83 N ATOM 175 CA SER A 21 13.615 5.726 22.201 1.00 11.51 C ATOM 176 C SER A 21 15.012 6.038 22.731 1.00 9.81 C ATOM 177 O SER A 21 15.734 6.920 22.213 1.00 10.31 O ATOM 178 CB SER A 21 13.642 4.447 21.360 1.00 13.23 C ATOM 179 OG SER A 21 14.519 4.543 20.261 1.00 15.26 O ATOM 180 HG SER A 21 15.438 4.714 20.587 1.00 0.00 H ATOM 181 H SER A 21 13.509 7.216 20.623 1.00 0.00 H ATOM 182 N CYS A 22 15.379 5.293 23.776 1.00 9.12 N ATOM 183 CA CYS A 22 16.652 5.429 24.458 1.00 10.68 C ATOM 184 C CYS A 22 17.132 4.018 24.781 1.00 13.34 C ATOM 185 O CYS A 22 16.625 3.379 25.714 1.00 10.96 O ATOM 186 CB CYS A 22 16.434 6.244 25.725 1.00 10.75 C ATOM 187 SG CYS A 22 17.852 6.389 26.822 1.00 11.32 S ATOM 188 H CYS A 22 14.713 4.573 24.122 1.00 0.00 H ATOM 189 N THR A 23 18.059 3.516 23.966 1.00 12.08 N ATOM 190 CA THR A 23 18.553 2.142 24.066 1.00 14.81 C ATOM 191 C THR A 23 19.834 2.120 24.858 1.00 13.62 C ATOM 192 O THR A 23 20.831 2.729 24.480 1.00 15.76 O ATOM 193 CB THR A 23 18.786 1.544 22.673 1.00 16.56 C ATOM 194 OG1 THR A 23 17.559 1.566 21.932 1.00 19.96 O ATOM 195 CG2 THR A 23 19.307 0.096 22.768 1.00 18.38 C ATOM 196 HG1 THR A 23 17.246 2.501 21.842 1.00 0.00 H ATOM 197 H THR A 23 18.450 4.130 23.223 1.00 0.00 H ATOM 198 N VAL A 24 19.808 1.401 25.970 1.00 13.74 N ATOM 199 CA VAL A 24 20.908 1.423 26.901 1.00 14.71 C ATOM 200 C VAL A 24 21.755 0.170 26.748 1.00 15.18 C ATOM 201 O VAL A 24 21.222 -0.919 26.614 1.00 16.68 O ATOM 202 CB VAL A 24 20.388 1.520 28.347 1.00 14.41 C ATOM 203 CG1 VAL A 24 21.526 1.563 29.328 1.00 16.30 C ATOM 204 CG2 VAL A 24 19.525 2.752 28.506 1.00 14.16 C ATOM 205 H VAL A 24 18.978 0.809 26.175 1.00 0.00 H ATOM 206 N SER A 25 23.068 0.350 26.754 1.00 15.83 N ATOM 207 CA SER A 25 24.000 -0.777 26.728 1.00 16.47 C ATOM 208 C SER A 25 25.070 -0.601 27.795 1.00 17.82 C ATOM 209 O SER A 25 25.430 0.500 28.159 1.00 17.31 O ATOM 210 CB SER A 25 24.612 -0.939 25.331 1.00 19.83 C ATOM 211 OG SER A 25 25.402 0.181 24.990 1.00 21.78 O ATOM 212 HG SER A 25 26.135 0.279 25.648 1.00 0.00 H ATOM 213 H SER A 25 23.446 1.319 26.778 1.00 0.00 H ATOM 214 N GLY A 26 25.574 -1.715 28.319 1.00 19.43 N ATOM 215 CA GLY A 26 26.587 -1.658 29.359 1.00 19.79 C ATOM 216 C GLY A 26 26.022 -1.461 30.758 1.00 15.18 C ATOM 217 O GLY A 26 26.763 -1.274 31.718 1.00 18.71 O ATOM 218 H GLY A 26 25.238 -2.639 27.980 1.00 0.00 H ATOM 219 N PHE A 27 24.695 -1.512 30.866 1.00 15.77 N ATOM 220 CA PHE A 27 23.996 -1.244 32.124 1.00 14.51 C ATOM 221 C PHE A 27 22.649 -1.927 32.031 1.00 12.91 C ATOM 222 O PHE A 27 22.018 -1.877 30.983 1.00 17.39 O ATOM 223 CB PHE A 27 23.793 0.271 32.277 1.00 16.41 C ATOM 224 CG PHE A 27 23.257 0.688 33.616 1.00 16.43 C ATOM 225 CD1 PHE A 27 24.092 0.772 34.710 1.00 15.33 C ATOM 226 CD2 PHE A 27 21.913 1.030 33.770 1.00 15.95 C ATOM 227 CE1 PHE A 27 23.602 1.158 35.948 1.00 18.62 C ATOM 228 CE2 PHE A 27 21.417 1.426 35.001 1.00 16.06 C ATOM 229 CZ PHE A 27 22.268 1.479 36.095 1.00 16.65 C ATOM 230 H PHE A 27 24.134 -1.752 30.024 1.00 0.00 H ATOM 231 N ASN A 28 22.205 -2.583 33.103 1.00 11.49 N ATOM 232 CA ASN A 28 20.869 -3.169 33.142 1.00 11.17 C ATOM 233 C ASN A 28 19.888 -2.089 33.575 1.00 11.73 C ATOM 234 O ASN A 28 19.992 -1.575 34.696 1.00 11.32 O ATOM 235 CB ASN A 28 20.781 -4.296 34.171 1.00 10.10 C ATOM 236 CG ASN A 28 21.878 -5.342 34.027 1.00 11.79 C ATOM 237 OD1 ASN A 28 22.107 -5.895 32.952 1.00 12.00 O ATOM 238 ND2 ASN A 28 22.553 -5.636 35.136 1.00 12.90 N ATOM 239 HD22 ASN A 28 22.330 -5.146 36.026 1.00 0.00 H ATOM 240 HD21 ASN A 28 23.304 -6.355 35.113 1.00 0.00 H ATOM 241 H ASN A 28 22.826 -2.680 33.932 1.00 0.00 H ATOM 242 N ILE A 29 18.941 -1.701 32.725 1.00 10.68 N ATOM 243 CA ILE A 29 18.044 -0.605 33.117 1.00 9.36 C ATOM 244 C ILE A 29 17.158 -0.936 34.323 1.00 10.17 C ATOM 245 O ILE A 29 16.667 -0.013 34.973 1.00 8.62 O ATOM 246 CB ILE A 29 17.204 -0.018 31.950 1.00 12.34 C ATOM 247 CG1 ILE A 29 16.137 -0.996 31.454 1.00 11.52 C ATOM 248 CG2 ILE A 29 18.141 0.461 30.847 1.00 12.96 C ATOM 249 CD1 ILE A 29 15.149 -0.324 30.483 1.00 11.07 C ATOM 250 H ILE A 29 18.837 -2.165 31.800 1.00 0.00 H ATOM 251 N LYS A 30 16.957 -2.209 34.649 1.00 8.43 N ATOM 252 CA LYS A 30 16.241 -2.507 35.877 1.00 8.94 C ATOM 253 C LYS A 30 16.947 -1.938 37.112 1.00 8.28 C ATOM 254 O LYS A 30 16.342 -1.804 38.185 1.00 10.63 O ATOM 255 CB LYS A 30 16.068 -4.017 36.062 1.00 13.99 C ATOM 256 CG LYS A 30 17.374 -4.774 36.242 1.00 22.52 C ATOM 257 CD LYS A 30 17.133 -6.265 36.486 1.00 31.00 C ATOM 258 H LYS A 30 17.305 -2.975 34.038 1.00 0.00 H ATOM 259 N ASP A 31 18.230 -1.609 36.972 1.00 7.94 N ATOM 260 CA ASP A 31 19.044 -1.166 38.097 1.00 9.13 C ATOM 261 C ASP A 31 18.883 0.312 38.482 1.00 8.57 C ATOM 262 O ASP A 31 19.449 0.716 39.501 1.00 10.17 O ATOM 263 CB ASP A 31 20.530 -1.494 37.846 1.00 9.83 C ATOM 264 CG ASP A 31 20.810 -2.974 37.837 1.00 12.16 C ATOM 265 OD1 ASP A 31 19.976 -3.749 38.316 1.00 12.00 O ATOM 266 OD2 ASP A 31 21.902 -3.371 37.359 1.00 15.45 O ATOM 267 H ASP A 31 18.665 -1.670 36.029 1.00 0.00 H ATOM 268 N ASP A 32 18.171 1.130 37.709 1.00 7.33 N ATOM 269 CA ASP A 32 18.044 2.545 38.060 1.00 6.75 C ATOM 270 C ASP A 32 16.902 3.184 37.306 1.00 7.93 C ATOM 271 O ASP A 32 16.479 2.701 36.252 1.00 7.90 O ATOM 272 CB ASP A 32 19.329 3.306 37.706 1.00 6.92 C ATOM 273 CG ASP A 32 19.494 4.623 38.461 1.00 6.84 C ATOM 274 OD1 ASP A 32 18.700 4.931 39.388 1.00 7.53 O ATOM 275 OD2 ASP A 32 20.450 5.359 38.116 1.00 8.00 O ATOM 276 H ASP A 32 17.705 0.763 36.855 1.00 0.00 H ATOM 277 N PHE A 33 16.423 4.298 37.831 1.00 6.51 N ATOM 278 CA PHE A 33 15.509 5.154 37.100 1.00 6.48 C ATOM 279 C PHE A 33 16.118 5.619 35.799 1.00 7.35 C ATOM 280 O PHE A 33 17.340 5.831 35.711 1.00 7.93 O ATOM 281 CB PHE A 33 15.155 6.397 37.927 1.00 7.09 C ATOM 282 CG PHE A 33 14.642 6.109 39.302 1.00 7.85 C ATOM 283 CD1 PHE A 33 13.339 5.681 39.495 1.00 9.08 C ATOM 284 CD2 PHE A 33 15.447 6.314 40.418 1.00 9.34 C ATOM 285 CE1 PHE A 33 12.861 5.439 40.784 1.00 10.77 C ATOM 286 CE2 PHE A 33 14.980 6.066 41.680 1.00 10.95 C ATOM 287 CZ PHE A 33 13.692 5.623 41.868 1.00 11.60 C ATOM 288 H PHE A 33 16.709 4.568 38.794 1.00 0.00 H ATOM 289 N ILE A 34 15.270 5.833 34.797 1.00 6.48 N ATOM 290 CA ILE A 34 15.621 6.608 33.614 1.00 7.23 C ATOM 291 C ILE A 34 14.855 7.914 33.661 1.00 6.62 C ATOM 292 O ILE A 34 13.656 7.931 33.917 1.00 7.31 O ATOM 293 CB ILE A 34 15.333 5.829 32.326 1.00 8.75 C ATOM 294 CG1 ILE A 34 16.226 4.584 32.327 1.00 11.61 C ATOM 295 CG2 ILE A 34 15.548 6.717 31.083 1.00 9.68 C ATOM 296 CD1 ILE A 34 16.098 3.669 31.152 1.00 14.32 C ATOM 297 H ILE A 34 14.314 5.429 34.861 1.00 0.00 H ATOM 298 N HIS A 35 15.592 9.006 33.456 1.00 6.80 N ATOM 299 CA HIS A 35 15.060 10.363 33.481 1.00 6.53 C ATOM 300 C HIS A 35 14.978 10.923 32.081 1.00 6.38 C ATOM 301 O HIS A 35 15.831 10.622 31.246 1.00 7.89 O ATOM 302 CB HIS A 35 15.994 11.266 34.294 1.00 8.17 C ATOM 303 CG HIS A 35 16.192 10.801 35.698 1.00 6.49 C ATOM 304 ND1 HIS A 35 15.586 11.402 36.780 1.00 8.07 N ATOM 305 CD2 HIS A 35 16.940 9.782 36.198 1.00 7.46 C ATOM 306 CE1 HIS A 35 15.951 10.767 37.886 1.00 7.83 C ATOM 307 NE2 HIS A 35 16.779 9.785 37.556 1.00 7.43 N ATOM 308 H HIS A 35 16.607 8.882 33.267 1.00 0.00 H ATOM 309 N TRP A 36 13.980 11.766 31.828 1.00 7.14 N ATOM 310 CA TRP A 36 13.879 12.468 30.564 1.00 7.16 C ATOM 311 C TRP A 36 13.892 13.966 30.790 1.00 8.10 C ATOM 312 O TRP A 36 13.257 14.466 31.715 1.00 7.73 O ATOM 313 CB TRP A 36 12.618 12.063 29.810 1.00 9.09 C ATOM 314 CG TRP A 36 12.656 10.658 29.281 1.00 7.75 C ATOM 315 CD1 TRP A 36 12.280 9.531 29.948 1.00 9.48 C ATOM 316 CD2 TRP A 36 13.120 10.236 27.989 1.00 8.13 C ATOM 317 NE1 TRP A 36 12.478 8.433 29.144 1.00 8.74 N ATOM 318 CE2 TRP A 36 12.964 8.840 27.929 1.00 8.54 C ATOM 319 CE3 TRP A 36 13.607 10.908 26.868 1.00 9.00 C ATOM 320 CZ2 TRP A 36 13.299 8.094 26.789 1.00 9.78 C ATOM 321 CZ3 TRP A 36 13.931 10.168 25.730 1.00 10.16 C ATOM 322 CH2 TRP A 36 13.761 8.776 25.702 1.00 10.20 C ATOM 323 HE1 TRP A 36 12.288 7.447 29.416 1.00 0.00 H ATOM 324 H TRP A 36 13.254 11.925 32.556 1.00 0.00 H ATOM 325 N MET A 37 14.637 14.643 29.918 1.00 7.33 N ATOM 326 CA MET A 37 14.789 16.096 29.936 1.00 7.87 C ATOM 327 C MET A 37 14.443 16.680 28.579 1.00 8.27 C ATOM 328 O MET A 37 14.603 16.028 27.547 1.00 8.50 O ATOM 329 CB MET A 37 16.237 16.506 30.273 1.00 8.33 C ATOM 330 CG MET A 37 16.598 16.459 31.745 1.00 14.53 C ATOM 331 SD MET A 37 16.635 14.807 32.491 1.00 15.78 S ATOM 332 CE MET A 37 17.894 13.999 31.525 1.00 16.47 C ATOM 333 H MET A 37 15.139 14.107 29.182 1.00 0.00 H ATOM 334 N LYS A 38 13.953 17.912 28.603 1.00 8.43 N ATOM 335 CA LYS A 38 13.664 18.692 27.415 1.00 8.03 C ATOM 336 C LYS A 38 14.562 19.909 27.402 1.00 8.35 C ATOM 337 O LYS A 38 14.761 20.539 28.450 1.00 9.84 O ATOM 338 CB LYS A 38 12.218 19.153 27.459 1.00 10.21 C ATOM 339 CG LYS A 38 11.725 19.929 26.263 1.00 10.54 C ATOM 340 CD LYS A 38 10.278 20.380 26.485 1.00 11.70 C ATOM 341 CE LYS A 38 9.744 21.205 25.333 1.00 11.75 C ATOM 342 NZ LYS A 38 8.313 21.612 25.596 1.00 13.85 N ATOM 343 HZ1 LYS A 38 7.726 20.760 25.704 1.00 0.00 H ATOM 344 HZ2 LYS A 38 8.269 22.178 26.468 1.00 0.00 H ATOM 345 HZ3 LYS A 38 7.962 22.177 24.797 1.00 0.00 H ATOM 346 H LYS A 38 13.765 18.345 29.530 1.00 0.00 H ATOM 347 N GLN A 39 15.075 20.264 26.231 1.00 9.00 N ATOM 348 CA GLN A 39 15.881 21.475 26.102 1.00 8.46 C ATOM 349 C GLN A 39 15.455 22.323 24.912 1.00 10.93 C ATOM 350 O GLN A 39 15.406 21.841 23.793 1.00 10.52 O ATOM 351 CB GLN A 39 17.376 21.146 25.997 1.00 9.56 C ATOM 352 CG GLN A 39 18.244 22.391 25.974 1.00 10.77 C ATOM 353 CD GLN A 39 19.720 22.101 26.125 1.00 10.03 C ATOM 354 OE1 GLN A 39 20.217 21.042 25.731 1.00 12.22 O ATOM 355 NE2 GLN A 39 20.446 23.060 26.694 1.00 11.05 N ATOM 356 HE22 GLN A 39 19.989 23.938 27.013 1.00 0.00 H ATOM 357 HE21 GLN A 39 21.470 22.931 26.820 1.00 0.00 H ATOM 358 H GLN A 39 14.901 19.672 25.394 1.00 0.00 H ATOM 359 N ARG A 40 15.156 23.592 25.176 1.00 11.62 N ATOM 360 CA ARG A 40 14.888 24.588 24.146 1.00 11.59 C ATOM 361 C ARG A 40 15.900 25.719 24.329 1.00 14.23 C ATOM 362 O ARG A 40 16.313 26.012 25.456 1.00 13.73 O ATOM 363 CB ARG A 40 13.476 25.135 24.288 1.00 14.19 C ATOM 364 CG ARG A 40 12.430 24.116 23.918 1.00 14.74 C ATOM 365 CD ARG A 40 11.016 24.645 24.158 1.00 15.64 C ATOM 366 NE ARG A 40 10.754 24.742 25.591 1.00 19.12 N ATOM 367 CZ ARG A 40 9.731 25.392 26.133 1.00 23.34 C ATOM 368 NH1 ARG A 40 8.854 26.036 25.368 1.00 23.06 N ATOM 369 NH2 ARG A 40 9.599 25.413 27.453 1.00 25.17 N ATOM 370 HE ARG A 40 11.418 24.267 26.235 1.00 0.00 H ATOM 371 HH12 ARG A 40 8.057 26.542 25.804 1.00 0.00 H ATOM 372 HH11 ARG A 40 8.966 26.034 24.334 1.00 0.00 H ATOM 373 HH22 ARG A 40 8.801 25.919 27.888 1.00 0.00 H ATOM 374 HH21 ARG A 40 10.293 24.923 28.053 1.00 0.00 H ATOM 375 H ARG A 40 15.111 23.890 26.171 1.00 0.00 H ATOM 376 N PRO A 41 16.306 26.369 23.230 1.00 13.90 N ATOM 377 CA PRO A 41 17.333 27.417 23.372 1.00 16.66 C ATOM 378 C PRO A 41 16.917 28.586 24.268 1.00 17.23 C ATOM 379 O PRO A 41 17.766 29.124 24.989 1.00 20.46 O ATOM 380 CB PRO A 41 17.566 27.889 21.929 1.00 19.10 C ATOM 381 CG PRO A 41 16.378 27.419 21.165 1.00 20.29 C ATOM 382 CD PRO A 41 15.904 26.167 21.829 1.00 16.68 C ATOM 383 N GLU A 42 15.646 28.968 24.253 1.00 17.36 N ATOM 384 CA GLU A 42 15.190 30.099 25.067 1.00 20.67 C ATOM 385 C GLU A 42 14.772 29.693 26.489 1.00 22.89 C ATOM 386 O GLU A 42 15.139 30.355 27.457 1.00 26.61 O ATOM 387 CB GLU A 42 14.045 30.841 24.366 1.00 21.30 C ATOM 388 H GLU A 42 14.964 28.458 23.656 1.00 0.00 H ATOM 389 N GLN A 43 14.022 28.604 26.617 1.00 22.76 N ATOM 390 CA GLN A 43 13.450 28.216 27.912 1.00 21.35 C ATOM 391 C GLN A 43 14.370 27.314 28.735 1.00 19.09 C ATOM 392 O GLN A 43 14.159 27.118 29.939 1.00 23.42 O ATOM 393 CB GLN A 43 12.095 27.538 27.715 1.00 24.17 C ATOM 394 CG GLN A 43 10.997 28.468 27.183 1.00 30.66 C ATOM 395 CD GLN A 43 11.139 28.792 25.702 1.00 34.12 C ATOM 396 OE1 GLN A 43 11.813 28.085 24.954 1.00 26.46 O ATOM 397 NE2 GLN A 43 10.489 29.869 25.273 1.00 41.22 N ATOM 398 HE22 GLN A 43 9.930 30.439 25.940 1.00 0.00 H ATOM 399 HE21 GLN A 43 10.539 30.142 24.271 1.00 0.00 H ATOM 400 H GLN A 43 13.836 28.013 25.781 1.00 0.00 H ATOM 401 N GLY A 44 15.399 26.784 28.090 1.00 15.77 N ATOM 402 CA GLY A 44 16.412 26.006 28.766 1.00 13.91 C ATOM 403 C GLY A 44 16.032 24.565 29.030 1.00 11.85 C ATOM 404 O GLY A 44 15.218 23.973 28.294 1.00 12.82 O ATOM 405 H GLY A 44 15.480 26.933 27.064 1.00 0.00 H ATOM 406 N LEU A 45 16.634 24.004 30.073 1.00 10.94 N ATOM 407 CA LEU A 45 16.485 22.591 30.414 1.00 9.92 C ATOM 408 C LEU A 45 15.365 22.384 31.417 1.00 9.15 C ATOM 409 O LEU A 45 15.264 23.108 32.413 1.00 10.26 O ATOM 410 CB LEU A 45 17.792 22.073 31.001 1.00 10.20 C ATOM 411 CG LEU A 45 18.847 21.641 29.985 1.00 9.72 C ATOM 412 CD1 LEU A 45 20.260 21.712 30.572 1.00 11.80 C ATOM 413 CD2 LEU A 45 18.562 20.233 29.458 1.00 12.25 C ATOM 414 H LEU A 45 17.239 24.598 30.675 1.00 0.00 H ATOM 415 N GLU A 46 14.541 21.368 31.166 1.00 8.96 N ATOM 416 CA GLU A 46 13.428 21.002 32.042 1.00 9.08 C ATOM 417 C GLU A 46 13.435 19.498 32.243 1.00 8.90 C ATOM 418 O GLU A 46 13.709 18.744 31.312 1.00 10.44 O ATOM 419 CB GLU A 46 12.096 21.417 31.416 1.00 10.13 C ATOM 420 CG GLU A 46 11.897 22.920 31.321 1.00 11.39 C ATOM 421 CD GLU A 46 10.626 23.266 30.599 1.00 13.55 C ATOM 422 OE1 GLU A 46 10.541 23.009 29.378 1.00 15.53 O ATOM 423 OE2 GLU A 46 9.710 23.780 31.264 1.00 15.62 O ATOM 424 H GLU A 46 14.697 20.807 30.304 1.00 0.00 H ATOM 425 N TRP A 47 13.158 19.061 33.460 1.00 8.62 N ATOM 426 CA TRP A 47 12.993 17.640 33.772 1.00 8.43 C ATOM 427 C TRP A 47 11.530 17.244 33.549 1.00 8.95 C ATOM 428 O TRP A 47 10.618 17.824 34.111 1.00 9.08 O ATOM 429 CB TRP A 47 13.401 17.417 35.220 1.00 8.34 C ATOM 430 CG TRP A 47 13.336 16.013 35.781 1.00 7.29 C ATOM 431 CD1 TRP A 47 14.274 15.046 35.642 1.00 7.59 C ATOM 432 CD2 TRP A 47 12.318 15.463 36.624 1.00 7.46 C ATOM 433 NE1 TRP A 47 13.912 13.926 36.344 1.00 8.28 N ATOM 434 CE2 TRP A 47 12.725 14.162 36.974 1.00 7.37 C ATOM 435 CE3 TRP A 47 11.123 15.950 37.143 1.00 8.14 C ATOM 436 CZ2 TRP A 47 11.964 13.335 37.779 1.00 8.88 C ATOM 437 CZ3 TRP A 47 10.374 15.133 37.950 1.00 8.85 C ATOM 438 CH2 TRP A 47 10.798 13.843 38.268 1.00 9.27 C ATOM 439 HE1 TRP A 47 14.454 13.040 36.389 1.00 0.00 H ATOM 440 H TRP A 47 13.053 19.755 34.227 1.00 0.00 H ATOM 441 N ILE A 48 11.316 16.262 32.687 1.00 8.47 N ATOM 442 CA ILE A 48 9.991 15.759 32.357 1.00 7.95 C ATOM 443 C ILE A 48 9.498 14.774 33.415 1.00 8.41 C ATOM 444 O ILE A 48 8.336 14.808 33.801 1.00 9.59 O ATOM 445 CB ILE A 48 10.032 15.087 30.959 1.00 8.73 C ATOM 446 CG1 ILE A 48 10.358 16.137 29.892 1.00 8.87 C ATOM 447 CG2 ILE A 48 8.730 14.397 30.656 1.00 9.00 C ATOM 448 CD1 ILE A 48 10.691 15.543 28.507 1.00 10.86 C ATOM 449 H ILE A 48 12.138 15.827 32.221 1.00 0.00 H ATOM 450 N GLY A 49 10.376 13.890 33.863 1.00 8.09 N ATOM 451 CA GLY A 49 10.017 12.880 34.835 1.00 8.66 C ATOM 452 C GLY A 49 11.030 11.757 34.848 1.00 7.15 C ATOM 453 O GLY A 49 12.053 11.812 34.163 1.00 7.69 O ATOM 454 H GLY A 49 11.352 13.923 33.506 1.00 0.00 H ATOM 455 N ARG A 50 10.719 10.731 35.636 1.00 8.58 N ATOM 456 CA ARG A 50 11.523 9.531 35.701 1.00 8.33 C ATOM 457 C ARG A 50 10.626 8.311 35.738 1.00 8.17 C ATOM 458 O ARG A 50 9.514 8.356 36.259 1.00 9.43 O ATOM 459 CB ARG A 50 12.475 9.542 36.908 1.00 10.72 C ATOM 460 CG ARG A 50 11.809 9.497 38.279 1.00 10.35 C ATOM 461 CD ARG A 50 12.775 9.514 39.490 1.00 11.90 C ATOM 462 NE ARG A 50 11.933 9.655 40.668 1.00 12.68 N ATOM 463 CZ ARG A 50 11.626 10.805 41.268 1.00 11.44 C ATOM 464 NH1 ARG A 50 12.288 11.917 40.980 1.00 11.21 N ATOM 465 NH2 ARG A 50 10.716 10.814 42.233 1.00 11.38 N ATOM 466 HE ARG A 50 11.537 8.785 41.077 1.00 0.00 H ATOM 467 HH12 ARG A 50 12.039 12.808 41.455 1.00 0.00 H ATOM 468 HH11 ARG A 50 13.056 11.898 40.279 1.00 0.00 H ATOM 469 HH22 ARG A 50 10.470 11.706 42.707 1.00 0.00 H ATOM 470 HH21 ARG A 50 10.249 9.929 42.515 1.00 0.00 H ATOM 471 H ARG A 50 9.866 10.795 36.227 1.00 0.00 H ATOM 472 N ILE A 51 11.141 7.216 35.186 1.00 7.12 N ATOM 473 CA ILE A 51 10.494 5.915 35.233 1.00 6.82 C ATOM 474 C ILE A 51 11.422 4.906 35.908 1.00 7.68 C ATOM 475 O ILE A 51 12.648 4.936 35.700 1.00 7.38 O ATOM 476 CB ILE A 51 10.113 5.428 33.811 1.00 7.86 C ATOM 477 CG1 ILE A 51 9.398 4.082 33.872 1.00 8.89 C ATOM 478 CG2 ILE A 51 11.338 5.348 32.880 1.00 9.68 C ATOM 479 CD1 ILE A 51 8.660 3.731 32.598 1.00 11.49 C ATOM 480 H ILE A 51 12.054 7.295 34.695 1.00 0.00 H ATOM 481 N ASP A 52 10.857 4.030 36.733 1.00 7.00 N ATOM 482 CA ASP A 52 11.569 2.875 37.287 1.00 6.95 C ATOM 483 C ASP A 52 11.296 1.674 36.379 1.00 7.32 C ATOM 484 O ASP A 52 10.181 1.135 36.381 1.00 7.45 O ATOM 485 CB ASP A 52 11.039 2.607 38.697 1.00 7.73 C ATOM 486 CG ASP A 52 11.780 1.490 39.406 1.00 8.13 C ATOM 487 OD1 ASP A 52 12.381 0.632 38.730 1.00 9.20 O ATOM 488 OD2 ASP A 52 11.768 1.460 40.667 1.00 8.39 O ATOM 489 H ASP A 52 9.861 4.171 36.998 1.00 0.00 H ATOM 490 N PRO A 53 12.282 1.245 35.571 1.00 7.41 N ATOM 491 CA PRO A 53 12.005 0.142 34.643 1.00 7.63 C ATOM 492 C PRO A 53 11.717 -1.184 35.331 1.00 8.88 C ATOM 493 O PRO A 53 11.124 -2.073 34.694 1.00 9.56 O ATOM 494 CB PRO A 53 13.311 0.047 33.828 1.00 8.65 C ATOM 495 CG PRO A 53 13.950 1.411 33.961 1.00 8.67 C ATOM 496 CD PRO A 53 13.638 1.799 35.376 1.00 7.44 C ATOM 497 N ALA A 54 12.123 -1.344 36.588 1.00 8.43 N ATOM 498 CA ALA A 54 11.917 -2.606 37.286 1.00 8.77 C ATOM 499 C ALA A 54 10.454 -2.865 37.605 1.00 8.41 C ATOM 500 O ALA A 54 10.038 -4.024 37.671 1.00 10.81 O ATOM 501 CB ALA A 54 12.721 -2.646 38.561 1.00 9.17 C ATOM 502 H ALA A 54 12.594 -0.557 37.079 1.00 0.00 H ATOM 503 N ASN A 55 9.682 -1.800 37.826 1.00 8.62 N ATOM 504 CA ASN A 55 8.259 -1.926 38.166 1.00 8.68 C ATOM 505 C ASN A 55 7.304 -1.074 37.320 1.00 8.65 C ATOM 506 O ASN A 55 6.089 -1.169 37.504 1.00 9.93 O ATOM 507 CB ASN A 55 8.022 -1.652 39.659 1.00 8.94 C ATOM 508 CG ASN A 55 8.401 -0.252 40.063 1.00 10.04 C ATOM 509 OD1 ASN A 55 8.611 0.602 39.220 1.00 9.45 O ATOM 510 ND2 ASN A 55 8.464 -0.001 41.366 1.00 10.69 N ATOM 511 HD22 ASN A 55 8.277 -0.760 42.051 1.00 0.00 H ATOM 512 HD21 ASN A 55 8.700 0.955 41.701 1.00 0.00 H ATOM 513 H ASN A 55 10.101 -0.851 37.755 1.00 0.00 H ATOM 514 N GLY A 56 7.815 -0.264 36.401 1.00 8.09 N ATOM 515 CA GLY A 56 6.969 0.556 35.559 1.00 8.66 C ATOM 516 C GLY A 56 6.455 1.816 36.202 1.00 9.26 C ATOM 517 O GLY A 56 5.720 2.563 35.553 1.00 10.94 O ATOM 518 H GLY A 56 8.847 -0.217 36.283 1.00 0.00 H ATOM 519 N TYR A 57 6.816 2.089 37.451 1.00 8.54 N ATOM 520 CA TYR A 57 6.317 3.272 38.164 1.00 11.13 C ATOM 521 C TYR A 57 6.904 4.530 37.581 1.00 9.94 C ATOM 522 O TYR A 57 8.111 4.601 37.302 1.00 10.43 O ATOM 523 CB TYR A 57 6.648 3.238 39.663 1.00 13.90 C ATOM 524 CG TYR A 57 6.396 4.576 40.362 1.00 16.52 C ATOM 525 CD1 TYR A 57 5.100 5.019 40.614 1.00 17.23 C ATOM 526 CD2 TYR A 57 7.447 5.393 40.756 1.00 18.29 C ATOM 527 CE1 TYR A 57 4.861 6.232 41.241 1.00 19.36 C ATOM 528 CE2 TYR A 57 7.214 6.613 41.387 1.00 19.30 C ATOM 529 CZ TYR A 57 5.925 7.024 41.627 1.00 20.60 C ATOM 530 OH TYR A 57 5.697 8.239 42.253 1.00 22.93 O ATOM 531 HH TYR A 57 6.120 8.232 43.148 1.00 0.00 H ATOM 532 H TYR A 57 7.472 1.446 37.939 1.00 0.00 H ATOM 533 N THR A 58 6.054 5.535 37.399 1.00 9.65 N ATOM 534 CA THR A 58 6.442 6.807 36.824 1.00 9.51 C ATOM 535 C THR A 58 6.111 7.996 37.731 1.00 10.26 C ATOM 536 O THR A 58 5.125 7.978 38.494 1.00 13.33 O ATOM 537 CB THR A 58 5.752 7.021 35.471 1.00 10.27 C ATOM 538 OG1 THR A 58 4.331 6.923 35.641 1.00 11.21 O ATOM 539 CG2 THR A 58 6.206 6.009 34.430 1.00 10.85 C ATOM 540 HG1 THR A 58 4.028 7.615 36.281 1.00 0.00 H ATOM 541 H THR A 58 5.062 5.402 37.683 1.00 0.00 H ATOM 542 N LYS A 59 6.928 9.039 37.629 1.00 10.54 N ATOM 543 CA LYS A 59 6.683 10.326 38.296 1.00 9.97 C ATOM 544 C LYS A 59 6.979 11.400 37.254 1.00 12.70 C ATOM 545 O LYS A 59 8.060 11.411 36.672 1.00 10.52 O ATOM 546 CB LYS A 59 7.611 10.506 39.513 1.00 12.54 C ATOM 547 CG LYS A 59 7.498 11.854 40.248 1.00 13.39 C ATOM 548 CD LYS A 59 6.143 12.037 40.926 1.00 15.59 C ATOM 549 CE LYS A 59 6.065 13.352 41.723 1.00 16.28 C ATOM 550 NZ LYS A 59 6.776 13.322 43.034 1.00 15.33 N ATOM 551 HZ1 LYS A 59 6.364 12.579 43.633 1.00 0.00 H ATOM 552 HZ2 LYS A 59 7.784 13.122 42.876 1.00 0.00 H ATOM 553 HZ3 LYS A 59 6.674 14.244 43.504 1.00 0.00 H ATOM 554 H LYS A 59 7.785 8.940 37.048 1.00 0.00 H ATOM 555 N TYR A 60 6.001 12.276 37.011 1.00 10.24 N ATOM 556 CA TYR A 60 6.133 13.386 36.061 1.00 10.42 C ATOM 557 C TYR A 60 6.170 14.733 36.740 1.00 10.30 C ATOM 558 O TYR A 60 5.560 14.927 37.800 1.00 13.05 O ATOM 559 CB TYR A 60 4.945 13.413 35.094 1.00 12.73 C ATOM 560 CG TYR A 60 4.803 12.164 34.272 1.00 11.08 C ATOM 561 CD1 TYR A 60 4.155 11.046 34.769 1.00 12.87 C ATOM 562 CD2 TYR A 60 5.306 12.105 32.989 1.00 14.03 C ATOM 563 CE1 TYR A 60 4.030 9.883 34.012 1.00 11.49 C ATOM 564 CE2 TYR A 60 5.180 10.939 32.212 1.00 13.22 C ATOM 565 CZ TYR A 60 4.547 9.845 32.736 1.00 10.72 C ATOM 566 OH TYR A 60 4.437 8.696 31.984 1.00 13.68 O ATOM 567 HH TYR A 60 3.956 8.006 32.506 1.00 0.00 H ATOM 568 H TYR A 60 5.101 12.166 37.520 1.00 0.00 H ATOM 569 N ALA A 61 6.834 15.688 36.108 1.00 10.30 N ATOM 570 CA ALA A 61 6.609 17.076 36.472 1.00 10.45 C ATOM 571 C ALA A 61 5.182 17.436 36.060 1.00 10.82 C ATOM 572 O ALA A 61 4.725 17.038 34.986 1.00 11.52 O ATOM 573 CB ALA A 61 7.583 17.960 35.766 1.00 10.82 C ATOM 574 H ALA A 61 7.511 15.446 35.357 1.00 0.00 H ATOM 575 N PRO A 62 4.463 18.199 36.901 1.00 12.17 N ATOM 576 CA PRO A 62 3.089 18.585 36.536 1.00 13.63 C ATOM 577 C PRO A 62 2.912 19.131 35.120 1.00 12.77 C ATOM 578 O PRO A 62 1.901 18.809 34.500 1.00 13.50 O ATOM 579 CB PRO A 62 2.753 19.664 37.564 1.00 14.26 C ATOM 580 CG PRO A 62 3.508 19.233 38.775 1.00 15.05 C ATOM 581 CD PRO A 62 4.819 18.684 38.250 1.00 15.32 C ATOM 582 N LYS A 63 3.844 19.932 34.617 1.00 11.46 N ATOM 583 CA LYS A 63 3.657 20.513 33.291 1.00 14.97 C ATOM 584 C LYS A 63 3.730 19.491 32.163 1.00 12.95 C ATOM 585 O LYS A 63 3.331 19.793 31.033 1.00 13.45 O ATOM 586 CB LYS A 63 4.613 21.687 33.041 1.00 21.92 C ATOM 587 CG LYS A 63 5.990 21.324 32.557 1.00 27.52 C ATOM 588 CD LYS A 63 6.839 22.575 32.332 1.00 34.69 C ATOM 589 CE LYS A 63 6.377 23.365 31.111 1.00 38.88 C ATOM 590 NZ LYS A 63 7.208 24.580 30.862 1.00 38.59 N ATOM 591 HZ1 LYS A 63 7.155 25.210 31.688 1.00 0.00 H ATOM 592 HZ2 LYS A 63 8.196 24.296 30.703 1.00 0.00 H ATOM 593 HZ3 LYS A 63 6.850 25.077 30.022 1.00 0.00 H ATOM 594 H LYS A 63 4.702 20.144 35.165 1.00 0.00 H ATOM 595 N PHE A 64 4.195 18.283 32.461 1.00 11.52 N ATOM 596 CA PHE A 64 4.272 17.233 31.441 1.00 10.91 C ATOM 597 C PHE A 64 3.284 16.092 31.645 1.00 11.96 C ATOM 598 O PHE A 64 3.281 15.134 30.873 1.00 13.05 O ATOM 599 CB PHE A 64 5.700 16.704 31.333 1.00 10.78 C ATOM 600 CG PHE A 64 6.657 17.724 30.821 1.00 10.71 C ATOM 601 CD1 PHE A 64 6.715 18.007 29.464 1.00 13.10 C ATOM 602 CD2 PHE A 64 7.478 18.429 31.677 1.00 11.73 C ATOM 603 CE1 PHE A 64 7.583 18.963 28.979 1.00 16.16 C ATOM 604 CE2 PHE A 64 8.355 19.394 31.194 1.00 13.18 C ATOM 605 CZ PHE A 64 8.404 19.658 29.840 1.00 13.79 C ATOM 606 H PHE A 64 4.509 18.079 33.431 1.00 0.00 H ATOM 607 N GLN A 65 2.411 16.208 32.643 1.00 13.68 N ATOM 608 CA GLN A 65 1.530 15.107 33.007 1.00 15.36 C ATOM 609 C GLN A 65 0.562 14.711 31.903 1.00 18.87 C ATOM 610 O GLN A 65 0.194 13.536 31.789 1.00 20.97 O ATOM 611 CB GLN A 65 0.764 15.428 34.287 1.00 16.02 C ATOM 612 CG GLN A 65 1.571 15.224 35.562 1.00 23.13 C ATOM 613 CD GLN A 65 0.679 15.184 36.791 1.00 34.09 C ATOM 614 OE1 GLN A 65 0.507 16.185 37.493 1.00 19.47 O ATOM 615 NE2 GLN A 65 0.091 14.020 37.049 1.00 48.10 N ATOM 616 HE22 GLN A 65 0.264 13.202 36.431 1.00 0.00 H ATOM 617 HE21 GLN A 65 -0.542 13.928 37.869 1.00 0.00 H ATOM 618 H GLN A 65 2.357 17.101 33.173 1.00 0.00 H ATOM 619 N ASP A 66 0.131 15.670 31.097 1.00 16.44 N ATOM 620 CA ASP A 66 -0.797 15.355 30.010 1.00 21.37 C ATOM 621 C ASP A 66 -0.154 15.512 28.628 1.00 21.21 C ATOM 622 O ASP A 66 -0.859 15.674 27.633 1.00 23.95 O ATOM 623 CB ASP A 66 -2.075 16.195 30.130 1.00 26.85 C ATOM 624 CG ASP A 66 -1.802 17.676 30.128 1.00 32.65 C ATOM 625 OD1 ASP A 66 -0.620 18.076 30.178 1.00 35.57 O ATOM 626 OD2 ASP A 66 -2.783 18.444 30.090 1.00 31.98 O ATOM 627 H ASP A 66 0.453 16.649 31.237 1.00 0.00 H ATOM 628 N LYS A 67 1.175 15.443 28.582 1.00 16.14 N ATOM 629 CA LYS A 67 1.962 15.543 27.346 1.00 16.33 C ATOM 630 C LYS A 67 2.832 14.307 27.127 1.00 14.58 C ATOM 631 O LYS A 67 2.962 13.817 26.012 1.00 15.84 O ATOM 632 CB LYS A 67 2.878 16.768 27.403 1.00 17.76 C ATOM 633 CG LYS A 67 3.872 16.917 26.247 1.00 19.17 C ATOM 634 CD LYS A 67 3.201 17.056 24.880 1.00 18.42 C ATOM 635 CE LYS A 67 2.265 18.259 24.820 1.00 18.56 C ATOM 636 NZ LYS A 67 1.700 18.488 23.469 1.00 19.15 N ATOM 637 HZ1 LYS A 67 2.474 18.656 22.795 1.00 0.00 H ATOM 638 HZ2 LYS A 67 1.158 17.651 23.175 1.00 0.00 H ATOM 639 HZ3 LYS A 67 1.073 19.318 23.493 1.00 0.00 H ATOM 640 H LYS A 67 1.688 15.310 29.477 1.00 0.00 H ATOM 641 N ALA A 68 3.473 13.841 28.188 1.00 12.99 N ATOM 642 CA ALA A 68 4.475 12.795 28.083 1.00 11.89 C ATOM 643 C ALA A 68 3.965 11.506 28.661 1.00 11.70 C ATOM 644 O ALA A 68 3.270 11.522 29.676 1.00 14.11 O ATOM 645 CB ALA A 68 5.740 13.235 28.823 1.00 14.86 C ATOM 646 H ALA A 68 3.252 14.236 29.124 1.00 0.00 H ATOM 647 N THR A 69 4.330 10.392 28.023 1.00 10.50 N ATOM 648 CA THR A 69 4.145 9.067 28.588 1.00 11.08 C ATOM 649 C THR A 69 5.474 8.341 28.490 1.00 11.36 C ATOM 650 O THR A 69 6.003 8.108 27.388 1.00 10.80 O ATOM 651 CB THR A 69 3.060 8.242 27.857 1.00 11.73 C ATOM 652 OG1 THR A 69 1.844 8.989 27.829 1.00 14.54 O ATOM 653 CG2 THR A 69 2.807 6.930 28.576 1.00 15.02 C ATOM 654 HG1 THR A 69 1.993 9.842 27.350 1.00 0.00 H ATOM 655 H THR A 69 4.765 10.476 27.082 1.00 0.00 H ATOM 656 N MET A 70 6.037 8.015 29.653 1.00 10.50 N ATOM 657 CA MET A 70 7.258 7.224 29.744 1.00 9.74 C ATOM 658 C MET A 70 6.923 5.762 29.904 1.00 10.41 C ATOM 659 O MET A 70 6.087 5.405 30.737 1.00 10.79 O ATOM 660 CB MET A 70 8.073 7.665 30.963 1.00 9.43 C ATOM 661 CG MET A 70 8.612 9.078 30.868 1.00 9.47 C ATOM 662 SD MET A 70 9.435 9.645 32.367 1.00 10.16 S ATOM 663 CE MET A 70 8.137 9.595 33.610 1.00 12.89 C ATOM 664 H MET A 70 5.586 8.339 30.533 1.00 0.00 H ATOM 665 N THR A 71 7.596 4.921 29.117 1.00 9.63 N ATOM 666 CA THR A 71 7.532 3.468 29.275 1.00 10.07 C ATOM 667 C THR A 71 8.938 2.895 29.198 1.00 9.57 C ATOM 668 O THR A 71 9.874 3.574 28.801 1.00 9.43 O ATOM 669 CB THR A 71 6.661 2.798 28.197 1.00 11.06 C ATOM 670 OG1 THR A 71 7.129 3.189 26.901 1.00 10.93 O ATOM 671 CG2 THR A 71 5.205 3.203 28.363 1.00 12.42 C ATOM 672 HG1 THR A 71 7.068 4.173 26.813 1.00 0.00 H ATOM 673 H THR A 71 8.191 5.314 28.360 1.00 0.00 H ATOM 674 N ALA A 72 9.094 1.638 29.586 1.00 10.27 N ATOM 675 CA ALA A 72 10.395 1.003 29.498 1.00 10.92 C ATOM 676 C ALA A 72 10.256 -0.499 29.408 1.00 15.18 C ATOM 677 O ALA A 72 9.282 -1.076 29.897 1.00 20.70 O ATOM 678 CB ALA A 72 11.283 1.400 30.687 1.00 12.07 C ATOM 679 H ALA A 72 8.281 1.105 29.955 1.00 0.00 H ATOM 680 N ASP A 73 11.237 -1.122 28.767 1.00 11.60 N ATOM 681 CA ASP A 73 11.288 -2.571 28.602 1.00 15.54 C ATOM 682 C ASP A 73 12.669 -3.090 28.985 1.00 14.15 C ATOM 683 O ASP A 73 13.646 -2.840 28.290 1.00 14.11 O ATOM 684 CB ASP A 73 10.963 -2.932 27.154 1.00 24.79 C ATOM 685 CG ASP A 73 9.551 -2.527 26.755 1.00 32.55 C ATOM 686 OD1 ASP A 73 8.653 -2.538 27.628 1.00 34.64 O ATOM 687 OD2 ASP A 73 9.336 -2.194 25.569 1.00 34.11 O ATOM 688 H ASP A 73 12.006 -0.550 28.363 1.00 0.00 H ATOM 689 N THR A 74 12.748 -3.794 30.115 1.00 14.52 N ATOM 690 CA THR A 74 14.033 -4.295 30.607 1.00 15.63 C ATOM 691 C THR A 74 14.652 -5.325 29.659 1.00 17.82 C ATOM 692 O THR A 74 15.876 -5.397 29.532 1.00 20.11 O ATOM 693 CB THR A 74 13.898 -4.893 32.023 1.00 16.91 C ATOM 694 OG1 THR A 74 12.887 -5.901 32.014 1.00 21.80 O ATOM 695 CG2 THR A 74 13.521 -3.827 33.049 1.00 15.31 C ATOM 696 HG1 THR A 74 12.025 -5.500 31.739 1.00 0.00 H ATOM 697 H THR A 74 11.882 -3.991 30.656 1.00 0.00 H ATOM 698 N SER A 75 13.805 -6.067 28.972 1.00 20.32 N ATOM 699 CA SER A 75 14.269 -7.135 28.088 1.00 26.43 C ATOM 700 C SER A 75 15.096 -6.576 26.939 1.00 25.20 C ATOM 701 O SER A 75 16.119 -7.148 26.536 1.00 24.98 O ATOM 702 CB SER A 75 13.080 -7.920 27.533 1.00 30.02 C ATOM 703 OG SER A 75 12.091 -7.068 26.985 1.00 35.28 O ATOM 704 HG SER A 75 11.342 -7.614 26.638 1.00 0.00 H ATOM 705 H SER A 75 12.784 -5.888 29.061 1.00 0.00 H ATOM 706 N SER A 76 14.646 -5.453 26.403 1.00 19.88 N ATOM 707 CA SER A 76 15.358 -4.807 25.318 1.00 17.18 C ATOM 708 C SER A 76 16.255 -3.685 25.843 1.00 15.26 C ATOM 709 O SER A 76 16.989 -3.051 25.079 1.00 18.80 O ATOM 710 CB SER A 76 14.368 -4.249 24.309 1.00 17.63 C ATOM 711 OG SER A 76 13.617 -3.199 24.887 1.00 17.92 O ATOM 712 HG SER A 76 12.977 -2.846 24.219 1.00 0.00 H ATOM 713 H SER A 76 13.769 -5.028 26.765 1.00 0.00 H ATOM 714 N ASN A 77 16.197 -3.442 27.154 1.00 14.39 N ATOM 715 CA ASN A 77 16.996 -2.401 27.786 1.00 14.43 C ATOM 716 C ASN A 77 16.756 -1.034 27.126 1.00 12.44 C ATOM 717 O ASN A 77 17.667 -0.250 26.944 1.00 13.79 O ATOM 718 CB ASN A 77 18.479 -2.787 27.737 1.00 16.55 C ATOM 719 CG ASN A 77 19.137 -2.758 29.088 1.00 18.62 C ATOM 720 OD1 ASN A 77 18.541 -3.122 30.113 1.00 14.02 O ATOM 721 ND2 ASN A 77 20.387 -2.316 29.107 1.00 25.79 N ATOM 722 HD22 ASN A 77 20.848 -2.021 28.223 1.00 0.00 H ATOM 723 HD21 ASN A 77 20.907 -2.264 30.006 1.00 0.00 H ATOM 724 H ASN A 77 15.560 -4.015 27.744 1.00 0.00 H ATOM 725 N THR A 78 15.497 -0.771 26.799 1.00 10.49 N ATOM 726 CA THR A 78 15.106 0.445 26.091 1.00 10.09 C ATOM 727 C THR A 78 14.015 1.171 26.861 1.00 11.40 C ATOM 728 O THR A 78 13.081 0.572 27.379 1.00 10.77 O ATOM 729 CB THR A 78 14.623 0.118 24.661 1.00 14.17 C ATOM 730 OG1 THR A 78 15.636 -0.632 23.994 1.00 17.79 O ATOM 731 CG2 THR A 78 14.373 1.390 23.851 1.00 15.54 C ATOM 732 HG1 THR A 78 15.335 -0.847 23.076 1.00 0.00 H ATOM 733 H THR A 78 14.760 -1.458 27.057 1.00 0.00 H ATOM 734 N ALA A 79 14.162 2.489 26.936 1.00 9.43 N ATOM 735 CA ALA A 79 13.132 3.379 27.474 1.00 10.50 C ATOM 736 C ALA A 79 12.550 4.226 26.346 1.00 9.82 C ATOM 737 O ALA A 79 13.235 4.518 25.362 1.00 10.26 O ATOM 738 CB ALA A 79 13.718 4.261 28.548 1.00 9.28 C ATOM 739 H ALA A 79 15.051 2.908 26.596 1.00 0.00 H ATOM 740 N TYR A 80 11.283 4.598 26.492 1.00 9.69 N ATOM 741 CA TYR A 80 10.566 5.355 25.478 1.00 8.72 C ATOM 742 C TYR A 80 9.903 6.582 26.077 1.00 9.24 C ATOM 743 O TYR A 80 9.429 6.557 27.213 1.00 9.48 O ATOM 744 CB TYR A 80 9.485 4.498 24.808 1.00 10.30 C ATOM 745 CG TYR A 80 10.014 3.242 24.165 1.00 11.43 C ATOM 746 CD1 TYR A 80 10.478 3.258 22.866 1.00 12.64 C ATOM 747 CD2 TYR A 80 10.071 2.053 24.874 1.00 12.46 C ATOM 748 CE1 TYR A 80 10.977 2.107 22.270 1.00 15.06 C ATOM 749 CE2 TYR A 80 10.565 0.901 24.295 1.00 14.61 C ATOM 750 CZ TYR A 80 11.016 0.934 22.995 1.00 15.11 C ATOM 751 OH TYR A 80 11.519 -0.217 22.422 1.00 17.62 O ATOM 752 HH TYR A 80 11.798 -0.026 21.492 1.00 0.00 H ATOM 753 H TYR A 80 10.784 4.337 27.366 1.00 0.00 H ATOM 754 N LEU A 81 9.836 7.631 25.269 1.00 9.90 N ATOM 755 CA LEU A 81 9.106 8.850 25.604 1.00 9.08 C ATOM 756 C LEU A 81 8.115 9.139 24.485 1.00 10.02 C ATOM 757 O LEU A 81 8.520 9.429 23.351 1.00 10.51 O ATOM 758 CB LEU A 81 10.064 10.024 25.758 1.00 9.88 C ATOM 759 CG LEU A 81 9.381 11.340 26.133 1.00 9.53 C ATOM 760 CD1 LEU A 81 8.813 11.294 27.541 1.00 12.31 C ATOM 761 CD2 LEU A 81 10.377 12.488 26.012 1.00 12.53 C ATOM 762 H LEU A 81 10.327 7.583 24.353 1.00 0.00 H ATOM 763 N GLN A 82 6.826 9.030 24.794 1.00 10.83 N ATOM 764 CA GLN A 82 5.787 9.358 23.832 1.00 11.09 C ATOM 765 C GLN A 82 5.242 10.734 24.146 1.00 12.93 C ATOM 766 O GLN A 82 4.918 11.014 25.296 1.00 14.56 O ATOM 767 CB GLN A 82 4.658 8.329 23.882 1.00 13.80 C ATOM 768 CG GLN A 82 3.522 8.650 22.915 1.00 20.60 C ATOM 769 CD GLN A 82 2.602 7.469 22.672 1.00 39.73 C ATOM 770 OE1 GLN A 82 2.520 6.549 23.486 1.00 44.01 O ATOM 771 NE2 GLN A 82 1.904 7.491 21.542 1.00 47.17 N ATOM 772 HE22 GLN A 82 2.006 8.290 20.884 1.00 0.00 H ATOM 773 HE21 GLN A 82 1.256 6.710 21.316 1.00 0.00 H ATOM 774 H GLN A 82 6.556 8.703 25.744 1.00 0.00 H ATOM 775 N LEU A 83 5.195 11.595 23.132 1.00 11.77 N ATOM 776 CA LEU A 83 4.702 12.959 23.271 1.00 13.38 C ATOM 777 C LEU A 83 3.428 13.048 22.443 1.00 15.55 C ATOM 778 O LEU A 83 3.420 12.645 21.274 1.00 16.61 O ATOM 779 CB LEU A 83 5.751 13.950 22.756 1.00 14.86 C ATOM 780 CG LEU A 83 7.112 13.919 23.454 1.00 14.39 C ATOM 781 CD1 LEU A 83 8.171 14.691 22.655 1.00 16.50 C ATOM 782 CD2 LEU A 83 7.006 14.461 24.863 1.00 14.57 C ATOM 783 H LEU A 83 5.525 11.280 22.198 1.00 0.00 H ATOM 784 N SER A 84 2.351 13.541 23.047 1.00 14.17 N ATOM 785 CA SER A 84 1.048 13.547 22.404 1.00 14.74 C ATOM 786 C SER A 84 0.625 14.952 22.023 1.00 16.87 C ATOM 787 O SER A 84 1.144 15.923 22.565 1.00 16.26 O ATOM 788 CB SER A 84 0.003 12.943 23.339 1.00 18.54 C ATOM 789 OG SER A 84 -0.120 13.715 24.521 1.00 27.02 O ATOM 790 HG SER A 84 -0.396 14.636 24.285 1.00 0.00 H ATOM 791 H SER A 84 2.444 13.933 24.006 1.00 0.00 H ATOM 792 N SER A 85 -0.312 15.031 21.084 1.00 18.99 N ATOM 793 CA SER A 85 -0.948 16.280 20.677 1.00 20.98 C ATOM 794 C SER A 85 0.099 17.359 20.450 1.00 16.31 C ATOM 795 O SER A 85 0.074 18.418 21.085 1.00 17.44 O ATOM 796 CB SER A 85 -1.954 16.723 21.739 1.00 27.84 C ATOM 797 OG SER A 85 -2.797 17.748 21.242 1.00 36.12 O ATOM 798 HG SER A 85 -2.247 18.528 20.980 1.00 0.00 H ATOM 799 H SER A 85 -0.609 14.153 20.612 1.00 0.00 H ATOM 800 N LEU A 86 1.040 17.064 19.558 1.00 17.01 N ATOM 801 CA LEU A 86 2.205 17.916 19.350 1.00 19.01 C ATOM 802 C LEU A 86 1.847 19.342 18.935 1.00 16.83 C ATOM 803 O LEU A 86 0.936 19.566 18.135 1.00 17.15 O ATOM 804 CB LEU A 86 3.126 17.273 18.311 1.00 23.55 C ATOM 805 CG LEU A 86 3.829 16.031 18.858 1.00 28.35 C ATOM 806 CD1 LEU A 86 4.243 15.085 17.742 1.00 32.36 C ATOM 807 CD2 LEU A 86 5.020 16.483 19.665 1.00 23.36 C ATOM 808 H LEU A 86 0.942 16.198 18.991 1.00 0.00 H ATOM 809 N ALA A 87 2.589 20.303 19.476 1.00 16.10 N ATOM 810 CA ALA A 87 2.400 21.710 19.161 1.00 18.37 C ATOM 811 C ALA A 87 3.770 22.359 19.050 1.00 16.67 C ATOM 812 O ALA A 87 4.781 21.751 19.408 1.00 15.77 O ATOM 813 CB ALA A 87 1.573 22.380 20.246 1.00 22.15 C ATOM 814 H ALA A 87 3.334 20.038 20.151 1.00 0.00 H ATOM 815 N SER A 88 3.809 23.592 18.558 1.00 17.65 N ATOM 816 CA SER A 88 5.071 24.303 18.360 1.00 18.43 C ATOM 817 C SER A 88 5.995 24.285 19.582 1.00 16.31 C ATOM 818 O SER A 88 7.215 24.173 19.440 1.00 16.61 O ATOM 819 CB SER A 88 4.802 25.754 17.939 1.00 21.33 C ATOM 820 OG SER A 88 3.972 26.404 18.881 1.00 26.92 O ATOM 821 HG SER A 88 3.108 25.924 18.945 1.00 0.00 H ATOM 822 H SER A 88 2.917 24.065 18.307 1.00 0.00 H ATOM 823 N GLU A 89 5.426 24.362 20.780 1.00 16.56 N ATOM 824 CA GLU A 89 6.244 24.466 21.988 1.00 17.02 C ATOM 825 C GLU A 89 6.897 23.134 22.370 1.00 16.67 C ATOM 826 O GLU A 89 7.731 23.088 23.282 1.00 17.62 O ATOM 827 CB GLU A 89 5.432 25.031 23.164 1.00 22.69 C ATOM 828 CG GLU A 89 4.272 24.160 23.645 1.00 31.46 C ATOM 829 CD GLU A 89 2.925 24.514 23.014 1.00 37.03 C ATOM 830 OE1 GLU A 89 2.882 25.291 22.032 1.00 30.91 O ATOM 831 OE2 GLU A 89 1.896 24.005 23.513 1.00 42.52 O ATOM 832 H GLU A 89 4.389 24.348 20.860 1.00 0.00 H ATOM 833 N ASP A 90 6.538 22.066 21.659 1.00 15.11 N ATOM 834 CA ASP A 90 7.147 20.760 21.866 1.00 14.38 C ATOM 835 C ASP A 90 8.418 20.575 21.044 1.00 13.51 C ATOM 836 O ASP A 90 9.146 19.623 21.270 1.00 14.12 O ATOM 837 CB ASP A 90 6.155 19.657 21.528 1.00 14.47 C ATOM 838 CG ASP A 90 4.960 19.658 22.447 1.00 16.27 C ATOM 839 OD1 ASP A 90 5.130 19.820 23.673 1.00 17.30 O ATOM 840 OD2 ASP A 90 3.832 19.507 21.952 1.00 16.79 O ATOM 841 H ASP A 90 5.800 22.168 20.934 1.00 0.00 H ATOM 842 N ALA A 91 8.687 21.458 20.090 1.00 12.78 N ATOM 843 CA ALA A 91 9.927 21.374 19.336 1.00 14.15 C ATOM 844 C ALA A 91 11.091 21.644 20.298 1.00 13.71 C ATOM 845 O ALA A 91 11.124 22.670 20.978 1.00 14.25 O ATOM 846 CB ALA A 91 9.930 22.369 18.204 1.00 14.37 C ATOM 847 H ALA A 91 8.006 22.215 19.881 1.00 0.00 H ATOM 848 N ALA A 92 12.038 20.712 20.363 1.00 10.88 N ATOM 849 CA ALA A 92 13.079 20.710 21.387 1.00 10.74 C ATOM 850 C ALA A 92 14.016 19.548 21.124 1.00 10.13 C ATOM 851 O ALA A 92 13.732 18.678 20.304 1.00 11.74 O ATOM 852 CB ALA A 92 12.460 20.568 22.780 1.00 11.41 C ATOM 853 H ALA A 92 12.037 19.952 19.654 1.00 0.00 H ATOM 854 N VAL A 93 15.127 19.539 21.853 1.00 9.79 N ATOM 855 CA VAL A 93 15.953 18.351 21.994 1.00 9.91 C ATOM 856 C VAL A 93 15.542 17.633 23.274 1.00 10.87 C ATOM 857 O VAL A 93 15.383 18.245 24.332 1.00 10.47 O ATOM 858 CB VAL A 93 17.462 18.699 22.036 1.00 11.19 C ATOM 859 CG1 VAL A 93 18.302 17.450 22.245 1.00 12.33 C ATOM 860 CG2 VAL A 93 17.869 19.381 20.752 1.00 14.74 C ATOM 861 H VAL A 93 15.416 20.412 22.339 1.00 0.00 H ATOM 862 N TYR A 94 15.366 16.323 23.172 1.00 9.56 N ATOM 863 CA TYR A 94 14.969 15.490 24.300 1.00 8.33 C ATOM 864 C TYR A 94 16.115 14.570 24.650 1.00 9.36 C ATOM 865 O TYR A 94 16.671 13.937 23.750 1.00 9.75 O ATOM 866 CB TYR A 94 13.706 14.691 23.963 1.00 8.61 C ATOM 867 CG TYR A 94 12.501 15.592 23.830 1.00 8.96 C ATOM 868 CD1 TYR A 94 12.199 16.220 22.628 1.00 10.24 C ATOM 869 CD2 TYR A 94 11.686 15.855 24.920 1.00 9.40 C ATOM 870 CE1 TYR A 94 11.104 17.081 22.523 1.00 11.06 C ATOM 871 CE2 TYR A 94 10.610 16.714 24.829 1.00 9.74 C ATOM 872 CZ TYR A 94 10.315 17.310 23.629 1.00 9.89 C ATOM 873 OH TYR A 94 9.236 18.171 23.548 1.00 11.24 O ATOM 874 HH TYR A 94 9.158 18.515 22.623 1.00 0.00 H ATOM 875 H TYR A 94 15.518 15.871 22.248 1.00 0.00 H ATOM 876 N TYR A 95 16.450 14.507 25.941 1.00 8.20 N ATOM 877 CA TYR A 95 17.513 13.649 26.458 1.00 7.80 C ATOM 878 C TYR A 95 16.990 12.612 27.437 1.00 7.62 C ATOM 879 O TYR A 95 16.088 12.878 28.218 1.00 8.75 O ATOM 880 CB TYR A 95 18.559 14.468 27.220 1.00 8.52 C ATOM 881 CG TYR A 95 19.343 15.460 26.393 1.00 8.89 C ATOM 882 CD1 TYR A 95 20.398 15.060 25.598 1.00 8.44 C ATOM 883 CD2 TYR A 95 19.037 16.806 26.438 1.00 8.22 C ATOM 884 CE1 TYR A 95 21.128 15.980 24.851 1.00 10.94 C ATOM 885 CE2 TYR A 95 19.745 17.729 25.705 1.00 9.76 C ATOM 886 CZ TYR A 95 20.790 17.311 24.909 1.00 10.54 C ATOM 887 OH TYR A 95 21.520 18.246 24.176 1.00 11.68 O ATOM 888 HH TYR A 95 22.228 17.782 23.663 1.00 0.00 H ATOM 889 H TYR A 95 15.926 15.101 26.615 1.00 0.00 H ATOM 890 N CYS A 96 17.607 11.432 27.410 1.00 8.06 N ATOM 891 CA CYS A 96 17.460 10.471 28.504 1.00 8.41 C ATOM 892 C CYS A 96 18.738 10.427 29.347 1.00 8.95 C ATOM 893 O CYS A 96 19.813 10.775 28.866 1.00 9.07 O ATOM 894 CB CYS A 96 17.106 9.093 27.961 1.00 10.54 C ATOM 895 SG CYS A 96 18.313 8.400 26.826 1.00 9.89 S ATOM 896 H CYS A 96 18.205 11.189 26.595 1.00 0.00 H ATOM 897 N ALA A 97 18.595 10.048 30.612 1.00 7.76 N ATOM 898 CA ALA A 97 19.734 9.930 31.516 1.00 7.77 C ATOM 899 C ALA A 97 19.516 8.844 32.569 1.00 8.43 C ATOM 900 O ALA A 97 18.382 8.528 32.945 1.00 7.48 O ATOM 901 CB ALA A 97 20.057 11.261 32.205 1.00 8.92 C ATOM 902 H ALA A 97 17.643 9.829 30.969 1.00 0.00 H ATOM 903 N THR A 98 20.614 8.313 33.082 1.00 7.21 N ATOM 904 CA THR A 98 20.573 7.332 34.157 1.00 8.72 C ATOM 905 C THR A 98 21.885 7.360 34.944 1.00 7.82 C ATOM 906 O THR A 98 22.760 8.191 34.689 1.00 8.99 O ATOM 907 CB THR A 98 20.195 5.920 33.599 1.00 8.64 C ATOM 908 OG1 THR A 98 19.728 5.085 34.653 1.00 7.95 O ATOM 909 CG2 THR A 98 21.350 5.250 32.899 1.00 8.70 C ATOM 910 HG1 THR A 98 18.928 5.495 35.068 1.00 0.00 H ATOM 911 H THR A 98 21.538 8.606 32.705 1.00 0.00 H ATOM 912 N TYR A 99 22.013 6.439 35.890 1.00 7.64 N ATOM 913 CA TYR A 99 23.126 6.345 36.838 1.00 7.59 C ATOM 914 C TYR A 99 23.064 7.588 37.731 1.00 7.72 C ATOM 915 O TYR A 99 23.914 8.496 37.651 1.00 7.20 O ATOM 916 CB TYR A 99 24.482 6.172 36.116 1.00 9.32 C ATOM 917 CG TYR A 99 25.573 5.585 37.004 1.00 8.03 C ATOM 918 CD1 TYR A 99 26.458 6.414 37.691 1.00 9.40 C ATOM 919 CD2 TYR A 99 25.713 4.217 37.157 1.00 9.66 C ATOM 920 CE1 TYR A 99 27.445 5.892 38.503 1.00 10.31 C ATOM 921 CE2 TYR A 99 26.701 3.685 37.978 1.00 8.84 C ATOM 922 CZ TYR A 99 27.544 4.543 38.645 1.00 9.17 C ATOM 923 OH TYR A 99 28.510 4.016 39.460 1.00 13.60 O ATOM 924 HH TYR A 99 29.033 4.751 39.867 1.00 0.00 H ATOM 925 H TYR A 99 21.261 5.725 35.965 1.00 0.00 H ATOM 926 N GLY A 100 22.026 7.643 38.561 1.00 6.34 N ATOM 927 CA GLY A 100 21.540 8.925 39.019 1.00 7.19 C ATOM 928 C GLY A 100 21.171 9.729 37.790 1.00 6.52 C ATOM 929 O GLY A 100 20.331 9.278 36.991 1.00 7.72 O ATOM 930 H GLY A 100 21.566 6.766 38.879 1.00 0.00 H ATOM 931 N VAL A 101 21.822 10.875 37.598 1.00 6.74 N ATOM 932 CA VAL A 101 21.707 11.628 36.355 1.00 7.13 C ATOM 933 C VAL A 101 23.092 11.881 35.748 1.00 6.89 C ATOM 934 O VAL A 101 23.327 12.887 35.069 1.00 8.81 O ATOM 935 CB VAL A 101 20.943 12.955 36.545 1.00 7.17 C ATOM 936 CG1 VAL A 101 19.444 12.703 36.796 1.00 9.26 C ATOM 937 CG2 VAL A 101 21.561 13.786 37.684 1.00 8.13 C ATOM 938 H VAL A 101 22.430 11.243 38.357 1.00 0.00 H ATOM 939 N ALA A 102 24.002 10.935 35.935 1.00 7.18 N ATOM 940 CA ALA A 102 25.388 11.106 35.481 1.00 7.85 C ATOM 941 C ALA A 102 25.611 10.823 33.998 1.00 8.08 C ATOM 942 O ALA A 102 26.490 11.431 33.387 1.00 10.36 O ATOM 943 CB ALA A 102 26.317 10.234 36.294 1.00 8.54 C ATOM 944 H ALA A 102 23.728 10.053 36.413 1.00 0.00 H ATOM 945 N TYR A 103 24.874 9.886 33.420 1.00 7.88 N ATOM 946 CA TYR A 103 25.098 9.457 32.039 1.00 9.52 C ATOM 947 C TYR A 103 23.903 9.829 31.165 1.00 9.53 C ATOM 948 O TYR A 103 22.774 9.439 31.461 1.00 9.48 O ATOM 949 CB TYR A 103 25.326 7.941 31.962 1.00 11.78 C ATOM 950 CG TYR A 103 26.429 7.413 32.851 1.00 14.05 C ATOM 951 CD1 TYR A 103 27.473 8.215 33.225 1.00 14.85 C ATOM 952 CD2 TYR A 103 26.389 6.113 33.337 1.00 18.22 C ATOM 953 CE1 TYR A 103 28.493 7.734 34.057 1.00 19.04 C ATOM 954 CE2 TYR A 103 27.395 5.626 34.155 1.00 20.60 C ATOM 955 CZ TYR A 103 28.427 6.448 34.518 1.00 19.50 C ATOM 956 OH TYR A 103 29.436 5.962 35.335 1.00 22.11 O ATOM 957 HH TYR A 103 30.099 6.678 35.501 1.00 0.00 H ATOM 958 H TYR A 103 24.110 9.440 33.967 1.00 0.00 H ATOM 959 N TRP A 104 24.166 10.560 30.086 1.00 9.04 N ATOM 960 CA TRP A 104 23.107 11.078 29.211 1.00 8.96 C ATOM 961 C TRP A 104 23.239 10.519 27.801 1.00 8.29 C ATOM 962 O TRP A 104 24.350 10.252 27.290 1.00 10.06 O ATOM 963 CB TRP A 104 23.160 12.608 29.128 1.00 9.90 C ATOM 964 CG TRP A 104 22.795 13.349 30.385 1.00 8.33 C ATOM 965 CD1 TRP A 104 23.224 13.086 31.658 1.00 9.48 C ATOM 966 CD2 TRP A 104 21.933 14.494 30.490 1.00 7.81 C ATOM 967 NE1 TRP A 104 22.682 13.992 32.532 1.00 9.35 N ATOM 968 CE2 TRP A 104 21.891 14.867 31.842 1.00 7.52 C ATOM 969 CE3 TRP A 104 21.200 15.245 29.568 1.00 7.87 C ATOM 970 CZ2 TRP A 104 21.162 15.954 32.288 1.00 9.12 C ATOM 971 CZ3 TRP A 104 20.477 16.301 30.009 1.00 10.49 C ATOM 972 CH2 TRP A 104 20.458 16.660 31.359 1.00 10.32 C ATOM 973 HE1 TRP A 104 22.847 14.011 33.559 1.00 0.00 H ATOM 974 H TRP A 104 25.157 10.772 29.854 1.00 0.00 H ATOM 975 N GLY A 105 22.096 10.354 27.146 1.00 8.97 N ATOM 976 CA GLY A 105 22.072 10.083 25.715 1.00 8.90 C ATOM 977 C GLY A 105 22.501 11.292 24.904 1.00 9.07 C ATOM 978 O GLY A 105 22.714 12.366 25.475 1.00 10.10 O ATOM 979 H GLY A 105 21.198 10.420 27.666 1.00 0.00 H ATOM 980 N GLN A 106 22.625 11.129 23.589 1.00 10.26 N ATOM 981 CA GLN A 106 23.119 12.200 22.722 1.00 11.16 C ATOM 982 C GLN A 106 22.047 13.206 22.328 1.00 12.33 C ATOM 983 O GLN A 106 22.356 14.226 21.685 1.00 12.24 O ATOM 984 CB GLN A 106 23.775 11.625 21.457 1.00 13.72 C ATOM 985 CG GLN A 106 22.854 11.275 20.283 1.00 16.86 C ATOM 986 CD GLN A 106 22.132 9.944 20.408 1.00 14.99 C ATOM 987 OE1 GLN A 106 22.106 9.307 21.468 1.00 12.50 O ATOM 988 NE2 GLN A 106 21.545 9.503 19.299 1.00 16.95 N ATOM 989 HE22 GLN A 106 21.589 10.068 18.427 1.00 0.00 H ATOM 990 HE21 GLN A 106 21.042 8.593 19.304 1.00 0.00 H ATOM 991 H GLN A 106 22.364 10.216 23.166 1.00 0.00 H ATOM 992 N GLY A 107 20.799 12.923 22.685 1.00 10.47 N ATOM 993 CA GLY A 107 19.700 13.814 22.349 1.00 11.83 C ATOM 994 C GLY A 107 19.007 13.423 21.053 1.00 11.83 C ATOM 995 O GLY A 107 19.640 12.916 20.110 1.00 14.31 O ATOM 996 H GLY A 107 20.605 12.049 23.214 1.00 0.00 H ATOM 997 N THR A 108 17.694 13.666 21.015 1.00 11.87 N ATOM 998 CA THR A 108 16.868 13.525 19.819 1.00 11.55 C ATOM 999 C THR A 108 16.176 14.848 19.556 1.00 10.09 C ATOM 1000 O THR A 108 15.502 15.389 20.446 1.00 10.81 O ATOM 1001 CB THR A 108 15.770 12.459 20.003 1.00 10.87 C ATOM 1002 OG1 THR A 108 16.379 11.188 20.272 1.00 11.31 O ATOM 1003 CG2 THR A 108 14.889 12.362 18.770 1.00 11.63 C ATOM 1004 HG1 THR A 108 16.962 10.935 19.513 1.00 0.00 H ATOM 1005 H THR A 108 17.230 13.975 21.893 1.00 0.00 H ATOM 1006 N LEU A 109 16.375 15.371 18.352 1.00 11.24 N ATOM 1007 CA LEU A 109 15.750 16.607 17.933 1.00 11.89 C ATOM 1008 C LEU A 109 14.359 16.348 17.382 1.00 12.97 C ATOM 1009 O LEU A 109 14.188 15.533 16.467 1.00 13.64 O ATOM 1010 CB LEU A 109 16.618 17.255 16.858 1.00 13.05 C ATOM 1011 CG LEU A 109 16.107 18.579 16.303 1.00 14.55 C ATOM 1012 CD1 LEU A 109 16.170 19.666 17.356 1.00 17.20 C ATOM 1013 CD2 LEU A 109 16.893 18.959 15.035 1.00 16.83 C ATOM 1014 H LEU A 109 17.002 14.875 17.687 1.00 0.00 H ATOM 1015 N VAL A 110 13.372 17.052 17.930 1.00 12.62 N ATOM 1016 CA VAL A 110 12.001 17.052 17.420 1.00 12.53 C ATOM 1017 C VAL A 110 11.712 18.439 16.854 1.00 12.38 C ATOM 1018 O VAL A 110 11.821 19.440 17.558 1.00 13.01 O ATOM 1019 CB VAL A 110 10.983 16.722 18.534 1.00 12.72 C ATOM 1020 CG1 VAL A 110 9.546 16.835 18.046 1.00 14.74 C ATOM 1021 CG2 VAL A 110 11.250 15.330 19.090 1.00 13.48 C ATOM 1022 H VAL A 110 13.587 17.633 18.765 1.00 0.00 H ATOM 1023 N THR A 111 11.377 18.482 15.570 1.00 14.43 N ATOM 1024 CA THR A 111 10.990 19.713 14.896 1.00 14.35 C ATOM 1025 C THR A 111 9.523 19.606 14.521 1.00 16.36 C ATOM 1026 O THR A 111 9.072 18.544 14.142 1.00 18.73 O ATOM 1027 CB THR A 111 11.822 19.920 13.637 1.00 16.55 C ATOM 1028 OG1 THR A 111 11.773 18.735 12.836 1.00 16.77 O ATOM 1029 CG2 THR A 111 13.263 20.198 14.004 1.00 15.82 C ATOM 1030 HG1 THR A 111 12.138 17.973 13.353 1.00 0.00 H ATOM 1031 H THR A 111 11.392 17.598 15.022 1.00 0.00 H ATOM 1032 N VAL A 112 8.778 20.700 14.650 1.00 13.50 N ATOM 1033 CA VAL A 112 7.348 20.668 14.376 1.00 15.76 C ATOM 1034 C VAL A 112 7.060 21.524 13.146 1.00 16.11 C ATOM 1035 O VAL A 112 7.443 22.694 13.104 1.00 17.27 O ATOM 1036 CB VAL A 112 6.528 21.168 15.589 1.00 16.70 C ATOM 1037 CG1 VAL A 112 5.037 21.082 15.294 1.00 19.81 C ATOM 1038 CG2 VAL A 112 6.871 20.373 16.842 1.00 16.64 C ATOM 1039 H VAL A 112 9.223 21.591 14.951 1.00 0.00 H ATOM 1040 N SER A 113 6.416 20.937 12.144 1.00 16.39 N ATOM 1041 CA SER A 113 6.157 21.648 10.893 1.00 16.74 C ATOM 1042 C SER A 113 4.902 22.517 10.988 1.00 17.64 C ATOM 1043 O SER A 113 4.102 22.370 11.912 1.00 17.80 O ATOM 1044 CB SER A 113 6.071 20.663 9.726 1.00 19.02 C ATOM 1045 OG SER A 113 5.131 19.653 9.988 1.00 20.48 O ATOM 1046 HG SER A 113 4.240 20.061 10.126 1.00 0.00 H ATOM 1047 H SER A 113 6.090 19.955 12.251 1.00 0.00 H ATOM 1048 N ALA A 114 4.781 23.444 10.048 1.00 18.33 N ATOM 1049 CA ALA A 114 3.703 24.428 10.024 1.00 19.05 C ATOM 1050 C ALA A 114 2.530 23.981 9.166 1.00 19.97 C ATOM 1051 O ALA A 114 2.587 22.973 8.455 1.00 20.15 O ATOM 1052 CB ALA A 114 4.238 25.767 9.492 1.00 19.75 C ATOM 1053 OXT ALA A 114 1.520 24.689 9.147 1.00 20.64 O ATOM 1054 H ALA A 114 5.491 23.472 9.288 1.00 0.00 H TER 1055 ALA A 114 ATOM 1056 N ASP B 1 7.794 24.656 43.812 1.00 13.88 N ATOM 1057 CA ASP B 1 8.973 24.072 43.114 1.00 10.79 C ATOM 1058 C ASP B 1 10.173 24.949 43.432 1.00 10.37 C ATOM 1059 O ASP B 1 10.009 26.072 43.917 1.00 13.97 O ATOM 1060 CB ASP B 1 8.742 24.019 41.591 1.00 13.98 C ATOM 1061 CG ASP B 1 7.491 23.237 41.190 1.00 14.07 C ATOM 1062 OD1 ASP B 1 6.728 22.792 42.070 1.00 17.06 O ATOM 1063 OD2 ASP B 1 7.253 23.097 39.970 1.00 15.63 O ATOM 1064 HN3 ASP B 1 7.636 25.626 43.471 1.00 0.00 H ATOM 1065 HN2 ASP B 1 7.972 24.672 44.837 1.00 0.00 H ATOM 1066 HN1 ASP B 1 6.953 24.077 43.614 1.00 0.00 H ATOM 1067 N ILE B 2 11.373 24.444 43.191 1.00 9.72 N ATOM 1068 CA ILE B 2 12.576 25.214 43.448 1.00 8.65 C ATOM 1069 C ILE B 2 13.013 25.944 42.182 1.00 10.80 C ATOM 1070 O ILE B 2 13.136 25.339 41.108 1.00 11.35 O ATOM 1071 CB ILE B 2 13.688 24.321 43.991 1.00 8.64 C ATOM 1072 CG1 ILE B 2 13.158 23.601 45.230 1.00 10.65 C ATOM 1073 CG2 ILE B 2 14.921 25.171 44.305 1.00 10.03 C ATOM 1074 CD1 ILE B 2 14.147 22.842 45.980 1.00 11.26 C ATOM 1075 H ILE B 2 11.455 23.479 42.811 1.00 0.00 H ATOM 1076 N VAL B 3 13.240 27.245 42.309 1.00 9.57 N ATOM 1077 CA VAL B 3 13.777 28.072 41.231 1.00 9.36 C ATOM 1078 C VAL B 3 15.279 28.250 41.447 1.00 9.14 C ATOM 1079 O VAL B 3 15.714 28.632 42.540 1.00 9.44 O ATOM 1080 CB VAL B 3 13.092 29.442 41.186 1.00 10.30 C ATOM 1081 CG1 VAL B 3 13.694 30.329 40.087 1.00 12.14 C ATOM 1082 CG2 VAL B 3 11.594 29.278 40.955 1.00 12.68 C ATOM 1083 H VAL B 3 13.025 27.698 43.220 1.00 0.00 H ATOM 1084 N LEU B 4 16.068 27.997 40.402 1.00 8.94 N ATOM 1085 CA LEU B 4 17.518 28.210 40.441 1.00 7.42 C ATOM 1086 C LEU B 4 17.894 29.390 39.565 1.00 7.49 C ATOM 1087 O LEU B 4 17.546 29.438 38.386 1.00 9.64 O ATOM 1088 CB LEU B 4 18.272 26.967 39.980 1.00 7.75 C ATOM 1089 CG LEU B 4 17.974 25.691 40.752 1.00 9.76 C ATOM 1090 CD1 LEU B 4 18.856 24.554 40.205 1.00 9.50 C ATOM 1091 CD2 LEU B 4 18.148 25.853 42.253 1.00 11.96 C ATOM 1092 H LEU B 4 15.639 27.635 39.527 1.00 0.00 H ATOM 1093 N THR B 5 18.607 30.323 40.164 1.00 8.52 N ATOM 1094 CA THR B 5 19.024 31.539 39.486 1.00 9.16 C ATOM 1095 C THR B 5 20.548 31.597 39.447 1.00 8.24 C ATOM 1096 O THR B 5 21.205 31.576 40.492 1.00 9.22 O ATOM 1097 CB THR B 5 18.475 32.776 40.207 1.00 9.97 C ATOM 1098 OG1 THR B 5 17.044 32.718 40.246 1.00 12.04 O ATOM 1099 CG2 THR B 5 18.888 34.065 39.490 1.00 12.97 C ATOM 1100 HG1 THR B 5 16.691 32.693 39.322 1.00 0.00 H ATOM 1101 H THR B 5 18.881 30.184 41.158 1.00 0.00 H ATOM 1102 N GLN B 6 21.108 31.629 38.239 1.00 8.30 N ATOM 1103 CA GLN B 6 22.557 31.693 38.044 1.00 8.68 C ATOM 1104 C GLN B 6 23.050 33.111 37.858 1.00 9.44 C ATOM 1105 O GLN B 6 22.332 33.971 37.355 1.00 11.61 O ATOM 1106 CB GLN B 6 23.005 30.826 36.858 1.00 10.04 C ATOM 1107 CG GLN B 6 22.687 29.375 37.082 1.00 10.33 C ATOM 1108 CD GLN B 6 23.191 28.426 36.000 1.00 9.28 C ATOM 1109 OE1 GLN B 6 22.509 27.481 35.655 1.00 8.67 O ATOM 1110 NE2 GLN B 6 24.373 28.667 35.466 1.00 10.46 N ATOM 1111 HE22 GLN B 6 24.931 29.485 35.785 1.00 0.00 H ATOM 1112 HE21 GLN B 6 24.747 28.039 34.726 1.00 0.00 H ATOM 1113 H GLN B 6 20.492 31.608 37.402 1.00 0.00 H ATOM 1114 N SER B 7 24.280 33.344 38.270 1.00 9.44 N ATOM 1115 CA SER B 7 24.949 34.627 38.085 1.00 10.98 C ATOM 1116 C SER B 7 26.430 34.396 37.798 1.00 10.91 C ATOM 1117 O SER B 7 27.075 33.609 38.476 1.00 11.00 O ATOM 1118 CB SER B 7 24.810 35.492 39.341 1.00 14.03 C ATOM 1119 OG SER B 7 25.706 36.603 39.291 1.00 18.57 O ATOM 1120 HG SER B 7 25.600 37.148 40.111 1.00 0.00 H ATOM 1121 H SER B 7 24.797 32.579 38.748 1.00 0.00 H ATOM 1122 N PRO B 8 26.983 35.072 36.778 1.00 10.51 N ATOM 1123 CA PRO B 8 26.344 35.935 35.788 1.00 9.83 C ATOM 1124 C PRO B 8 25.693 35.094 34.692 1.00 11.11 C ATOM 1125 O PRO B 8 25.876 33.887 34.669 1.00 11.70 O ATOM 1126 CB PRO B 8 27.528 36.712 35.209 1.00 11.32 C ATOM 1127 CG PRO B 8 28.638 35.742 35.262 1.00 11.20 C ATOM 1128 CD PRO B 8 28.433 34.958 36.523 1.00 10.42 C ATOM 1129 N ALA B 9 24.966 35.723 33.783 1.00 11.75 N ATOM 1130 CA ALA B 9 24.395 35.001 32.648 1.00 13.13 C ATOM 1131 C ALA B 9 25.474 34.668 31.621 1.00 10.41 C ATOM 1132 O ALA B 9 25.391 33.657 30.920 1.00 11.29 O ATOM 1133 CB ALA B 9 23.289 35.828 31.993 1.00 13.92 C ATOM 1134 H ALA B 9 24.799 36.745 33.877 1.00 0.00 H ATOM 1135 N SER B 10 26.479 35.526 31.526 1.00 12.02 N ATOM 1136 CA SER B 10 27.599 35.253 30.648 1.00 13.79 C ATOM 1137 C SER B 10 28.841 35.917 31.187 1.00 13.40 C ATOM 1138 O SER B 10 28.769 36.905 31.915 1.00 13.37 O ATOM 1139 CB SER B 10 27.322 35.732 29.239 1.00 18.08 C ATOM 1140 OG SER B 10 27.102 37.111 29.260 1.00 22.19 O ATOM 1141 HG SER B 10 27.906 37.567 29.615 1.00 0.00 H ATOM 1142 H SER B 10 26.464 36.402 32.086 1.00 0.00 H ATOM 1143 N LEU B 11 29.990 35.344 30.862 1.00 12.87 N ATOM 1144 CA LEU B 11 31.235 36.008 31.200 1.00 17.16 C ATOM 1145 C LEU B 11 32.371 35.590 30.296 1.00 15.11 C ATOM 1146 O LEU B 11 32.411 34.464 29.792 1.00 15.59 O ATOM 1147 CB LEU B 11 31.615 35.782 32.656 1.00 19.76 C ATOM 1148 CG LEU B 11 32.160 34.414 33.046 1.00 22.81 C ATOM 1149 CD1 LEU B 11 32.759 34.490 34.435 1.00 25.18 C ATOM 1150 CD2 LEU B 11 31.066 33.368 32.976 1.00 23.65 C ATOM 1151 H LEU B 11 30.000 34.428 30.370 1.00 0.00 H ATOM 1152 N ALA B 12 33.280 36.533 30.108 1.00 14.86 N ATOM 1153 CA ALA B 12 34.480 36.335 29.322 1.00 16.10 C ATOM 1154 C ALA B 12 35.635 36.378 30.306 1.00 16.03 C ATOM 1155 O ALA B 12 35.734 37.292 31.118 1.00 18.42 O ATOM 1156 CB ALA B 12 34.614 37.424 28.272 1.00 20.30 C ATOM 1157 H ALA B 12 33.125 37.463 30.547 1.00 0.00 H ATOM 1158 N VAL B 13 36.488 35.367 30.250 1.00 14.94 N ATOM 1159 CA VAL B 13 37.564 35.243 31.214 1.00 16.88 C ATOM 1160 C VAL B 13 38.895 35.061 30.517 1.00 16.13 C ATOM 1161 O VAL B 13 38.986 34.406 29.489 1.00 19.49 O ATOM 1162 CB VAL B 13 37.309 34.046 32.115 1.00 18.26 C ATOM 1163 CG1 VAL B 13 36.080 34.296 32.993 1.00 16.82 C ATOM 1164 CG2 VAL B 13 37.137 32.785 31.277 1.00 26.64 C ATOM 1165 H VAL B 13 36.385 34.651 29.503 1.00 0.00 H ATOM 1166 N SER B 14 39.926 35.671 31.071 1.00 15.49 N ATOM 1167 CA SER B 14 41.272 35.520 30.538 1.00 17.91 C ATOM 1168 C SER B 14 41.819 34.127 30.792 1.00 16.87 C ATOM 1169 O SER B 14 41.681 33.587 31.888 1.00 14.53 O ATOM 1170 CB SER B 14 42.200 36.544 31.160 1.00 20.02 C ATOM 1171 OG SER B 14 41.971 37.815 30.583 1.00 24.39 O ATOM 1172 HG SER B 14 42.141 37.769 29.609 1.00 0.00 H ATOM 1173 H SER B 14 39.773 36.272 31.906 1.00 0.00 H ATOM 1174 N LEU B 15 42.447 33.546 29.774 1.00 17.07 N ATOM 1175 CA LEU B 15 43.105 32.256 29.909 1.00 14.68 C ATOM 1176 C LEU B 15 44.034 32.267 31.126 1.00 14.42 C ATOM 1177 O LEU B 15 44.779 33.208 31.328 1.00 14.07 O ATOM 1178 CB LEU B 15 43.930 31.988 28.648 1.00 16.75 C ATOM 1179 CG LEU B 15 44.631 30.643 28.546 1.00 21.21 C ATOM 1180 CD1 LEU B 15 43.605 29.526 28.433 1.00 22.97 C ATOM 1181 CD2 LEU B 15 45.573 30.635 27.347 1.00 24.32 C ATOM 1182 H LEU B 15 42.468 34.029 28.853 1.00 0.00 H ATOM 1183 N GLY B 16 43.927 31.232 31.955 1.00 12.76 N ATOM 1184 CA GLY B 16 44.781 31.078 33.122 1.00 14.52 C ATOM 1185 C GLY B 16 44.253 31.663 34.429 1.00 12.67 C ATOM 1186 O GLY B 16 44.854 31.432 35.483 1.00 14.18 O ATOM 1187 H GLY B 16 43.207 30.507 31.762 1.00 0.00 H ATOM 1188 N GLN B 17 43.181 32.438 34.370 1.00 10.88 N ATOM 1189 CA GLN B 17 42.616 33.056 35.567 1.00 11.14 C ATOM 1190 C GLN B 17 41.601 32.125 36.226 1.00 10.17 C ATOM 1191 O GLN B 17 41.271 31.079 35.682 1.00 10.13 O ATOM 1192 CB GLN B 17 41.997 34.402 35.219 1.00 15.59 C ATOM 1193 CG GLN B 17 43.041 35.485 34.884 1.00 16.84 C ATOM 1194 CD GLN B 17 44.053 35.722 36.009 1.00 18.14 C ATOM 1195 OE1 GLN B 17 43.709 36.243 37.076 1.00 18.06 O ATOM 1196 NE2 GLN B 17 45.300 35.339 35.773 1.00 17.34 N ATOM 1197 HE22 GLN B 17 45.547 34.904 34.861 1.00 0.00 H ATOM 1198 HE21 GLN B 17 46.032 35.473 36.500 1.00 0.00 H ATOM 1199 H GLN B 17 42.730 32.611 33.449 1.00 0.00 H ATOM 1200 N ARG B 18 41.079 32.529 37.385 1.00 9.10 N ATOM 1201 CA ARG B 18 39.994 31.816 38.066 1.00 8.52 C ATOM 1202 C ARG B 18 38.654 32.383 37.627 1.00 8.78 C ATOM 1203 O ARG B 18 38.549 33.559 37.322 1.00 9.25 O ATOM 1204 CB ARG B 18 40.081 32.033 39.574 1.00 8.46 C ATOM 1205 CG ARG B 18 41.213 31.288 40.272 1.00 11.67 C ATOM 1206 CD ARG B 18 41.554 32.012 41.565 1.00 12.99 C ATOM 1207 NE ARG B 18 42.203 31.154 42.571 1.00 13.05 N ATOM 1208 CZ ARG B 18 43.484 31.225 42.913 1.00 11.86 C ATOM 1209 NH1 ARG B 18 44.288 32.041 42.287 1.00 11.15 N ATOM 1210 NH2 ARG B 18 43.945 30.419 43.862 1.00 14.90 N ATOM 1211 HE ARG B 18 41.615 30.441 43.048 1.00 0.00 H ATOM 1212 HH12 ARG B 18 45.291 32.093 42.558 1.00 0.00 H ATOM 1213 HH11 ARG B 18 43.926 32.639 41.517 1.00 0.00 H ATOM 1214 HH22 ARG B 18 44.946 30.463 44.141 1.00 0.00 H ATOM 1215 HH21 ARG B 18 43.305 29.744 44.327 1.00 0.00 H ATOM 1216 H ARG B 18 41.460 33.390 37.826 1.00 0.00 H ATOM 1217 N ALA B 19 37.625 31.551 37.643 1.00 7.80 N ATOM 1218 CA ALA B 19 36.253 31.988 37.388 1.00 9.62 C ATOM 1219 C ALA B 19 35.320 31.314 38.365 1.00 7.22 C ATOM 1220 O ALA B 19 35.527 30.148 38.694 1.00 8.79 O ATOM 1221 CB ALA B 19 35.815 31.630 35.976 1.00 11.76 C ATOM 1222 H ALA B 19 37.799 30.546 37.845 1.00 0.00 H ATOM 1223 N THR B 20 34.284 32.029 38.789 1.00 7.45 N ATOM 1224 CA THR B 20 33.236 31.448 39.624 1.00 8.32 C ATOM 1225 C THR B 20 31.871 31.709 39.007 1.00 8.67 C ATOM 1226 O THR B 20 31.599 32.811 38.496 1.00 10.61 O ATOM 1227 CB THR B 20 33.256 32.017 41.054 1.00 11.00 C ATOM 1228 OG1 THR B 20 34.412 31.558 41.745 1.00 13.98 O ATOM 1229 CG2 THR B 20 32.049 31.555 41.859 1.00 16.16 C ATOM 1230 HG1 THR B 20 34.416 31.929 42.663 1.00 0.00 H ATOM 1231 H THR B 20 34.217 33.031 38.519 1.00 0.00 H ATOM 1232 N ILE B 21 31.008 30.698 39.065 1.00 7.42 N ATOM 1233 CA ILE B 21 29.618 30.799 38.645 1.00 7.23 C ATOM 1234 C ILE B 21 28.770 30.491 39.884 1.00 7.60 C ATOM 1235 O ILE B 21 29.035 29.525 40.604 1.00 8.51 O ATOM 1236 CB ILE B 21 29.334 29.804 37.494 1.00 9.37 C ATOM 1237 CG1 ILE B 21 30.253 30.108 36.301 1.00 11.78 C ATOM 1238 CG2 ILE B 21 27.845 29.845 37.089 1.00 11.01 C ATOM 1239 CD1 ILE B 21 30.194 29.078 35.163 1.00 12.82 C ATOM 1240 H ILE B 21 31.345 29.785 39.431 1.00 0.00 H ATOM 1241 N SER B 22 27.763 31.320 40.116 1.00 8.87 N ATOM 1242 CA SER B 22 26.884 31.216 41.278 1.00 8.72 C ATOM 1243 C SER B 22 25.528 30.652 40.887 1.00 9.28 C ATOM 1244 O SER B 22 25.015 30.959 39.812 1.00 8.86 O ATOM 1245 CB SER B 22 26.653 32.628 41.852 1.00 11.79 C ATOM 1246 OG SER B 22 25.476 32.734 42.641 1.00 13.39 O ATOM 1247 HG SER B 22 25.536 32.109 43.406 1.00 0.00 H ATOM 1248 H SER B 22 27.589 32.086 39.434 1.00 0.00 H ATOM 1249 N CYS B 23 24.961 29.848 41.784 1.00 7.44 N ATOM 1250 CA CYS B 23 23.609 29.317 41.633 1.00 6.75 C ATOM 1251 C CYS B 23 22.889 29.452 42.959 1.00 7.64 C ATOM 1252 O CYS B 23 23.353 28.919 43.974 1.00 9.17 O ATOM 1253 CB CYS B 23 23.658 27.865 41.203 1.00 7.43 C ATOM 1254 SG CYS B 23 22.062 27.053 41.000 1.00 9.54 S ATOM 1255 H CYS B 23 25.506 29.586 42.631 1.00 0.00 H ATOM 1256 N LYS B 24 21.801 30.215 42.965 1.00 8.80 N ATOM 1257 CA LYS B 24 20.986 30.415 44.160 1.00 9.93 C ATOM 1258 C LYS B 24 19.634 29.743 44.015 1.00 10.12 C ATOM 1259 O LYS B 24 18.945 29.912 43.000 1.00 11.43 O ATOM 1260 CB LYS B 24 20.858 31.895 44.468 1.00 11.51 C ATOM 1261 CG LYS B 24 22.208 32.473 44.877 1.00 16.69 C ATOM 1262 CD LYS B 24 22.129 33.934 45.215 1.00 24.02 C ATOM 1263 CE LYS B 24 23.472 34.448 45.691 1.00 28.36 C ATOM 1264 NZ LYS B 24 23.425 35.908 45.962 1.00 31.92 N ATOM 1265 HZ1 LYS B 24 23.166 36.413 45.090 1.00 0.00 H ATOM 1266 HZ2 LYS B 24 22.716 36.100 46.699 1.00 0.00 H ATOM 1267 HZ3 LYS B 24 24.359 36.229 46.286 1.00 0.00 H ATOM 1268 H LYS B 24 21.519 30.689 42.083 1.00 0.00 H ATOM 1269 N ALA B 25 19.278 28.936 45.014 1.00 9.36 N ATOM 1270 CA ALA B 25 18.009 28.217 45.020 1.00 9.24 C ATOM 1271 C ALA B 25 16.991 28.978 45.849 1.00 9.52 C ATOM 1272 O ALA B 25 17.304 29.557 46.892 1.00 11.35 O ATOM 1273 CB ALA B 25 18.194 26.828 45.571 1.00 8.85 C ATOM 1274 H ALA B 25 19.928 28.815 45.817 1.00 0.00 H ATOM 1275 N SER B 26 15.745 28.978 45.390 1.00 8.83 N ATOM 1276 CA SER B 26 14.708 29.748 46.065 1.00 9.81 C ATOM 1277 C SER B 26 14.275 29.156 47.417 1.00 9.94 C ATOM 1278 O SER B 26 13.745 29.860 48.275 1.00 10.31 O ATOM 1279 CB SER B 26 13.517 29.939 45.132 1.00 9.74 C ATOM 1280 OG SER B 26 12.906 28.710 44.809 1.00 10.47 O ATOM 1281 HG SER B 26 12.140 28.873 44.204 1.00 0.00 H ATOM 1282 H SER B 26 15.507 28.424 44.542 1.00 0.00 H ATOM 1283 N GLN B 27 14.512 27.860 47.594 1.00 9.49 N ATOM 1284 CA GLN B 27 14.357 27.173 48.876 1.00 10.03 C ATOM 1285 C GLN B 27 15.515 26.196 49.004 1.00 10.49 C ATOM 1286 O GLN B 27 16.153 25.856 48.010 1.00 10.18 O ATOM 1287 CB GLN B 27 13.022 26.414 48.933 1.00 10.34 C ATOM 1288 CG GLN B 27 11.791 27.304 48.797 1.00 10.67 C ATOM 1289 CD GLN B 27 10.526 26.508 48.570 1.00 13.54 C ATOM 1290 OE1 GLN B 27 10.553 25.465 47.940 1.00 14.06 O ATOM 1291 NE2 GLN B 27 9.411 27.019 49.055 1.00 13.34 N ATOM 1292 HE22 GLN B 27 9.437 27.912 49.587 1.00 0.00 H ATOM 1293 HE21 GLN B 27 8.506 26.529 48.906 1.00 0.00 H ATOM 1294 H GLN B 27 14.826 27.303 46.774 1.00 0.00 H ATOM 1295 N SER B 28 15.770 25.735 50.224 1.00 10.06 N ATOM 1296 CA SER B 28 16.905 24.867 50.487 1.00 11.19 C ATOM 1297 C SER B 28 16.841 23.573 49.692 1.00 9.81 C ATOM 1298 O SER B 28 15.769 22.986 49.523 1.00 10.84 O ATOM 1299 CB SER B 28 16.979 24.533 51.968 1.00 11.90 C ATOM 1300 OG SER B 28 18.030 23.601 52.202 1.00 12.56 O ATOM 1301 HG SER B 28 18.072 23.388 53.168 1.00 0.00 H ATOM 1302 H SER B 28 15.142 26.002 51.009 1.00 0.00 H ATOM 1303 N VAL B 29 17.999 23.105 49.242 1.00 9.38 N ATOM 1304 CA VAL B 29 18.102 21.790 48.601 1.00 9.98 C ATOM 1305 C VAL B 29 18.876 20.790 49.457 1.00 9.16 C ATOM 1306 O VAL B 29 19.373 19.774 48.943 1.00 9.53 O ATOM 1307 CB VAL B 29 18.698 21.877 47.192 1.00 9.66 C ATOM 1308 CG1 VAL B 29 17.797 22.765 46.312 1.00 14.02 C ATOM 1309 CG2 VAL B 29 20.102 22.415 47.227 1.00 12.49 C ATOM 1310 H VAL B 29 18.855 23.686 49.347 1.00 0.00 H ATOM 1311 N ASP B 30 18.926 21.047 50.763 1.00 10.48 N ATOM 1312 CA ASP B 30 19.586 20.136 51.701 1.00 12.19 C ATOM 1313 C ASP B 30 18.648 19.045 52.188 1.00 12.95 C ATOM 1314 O ASP B 30 17.452 19.262 52.374 1.00 14.61 O ATOM 1315 CB ASP B 30 20.080 20.884 52.938 1.00 11.73 C ATOM 1316 CG ASP B 30 21.241 21.822 52.660 1.00 18.56 C ATOM 1317 OD1 ASP B 30 21.798 21.797 51.548 1.00 18.26 O ATOM 1318 OD2 ASP B 30 21.600 22.579 53.596 1.00 23.57 O ATOM 1319 H ASP B 30 18.485 21.916 51.126 1.00 0.00 H ATOM 1320 N HIS B 31 19.213 17.875 52.447 1.00 13.03 N ATOM 1321 CA HIS B 31 18.503 16.813 53.150 1.00 13.23 C ATOM 1322 C HIS B 31 19.517 15.895 53.832 1.00 14.57 C ATOM 1323 O HIS B 31 20.465 15.461 53.201 1.00 15.40 O ATOM 1324 CB HIS B 31 17.644 16.003 52.180 1.00 17.89 C ATOM 1325 CG HIS B 31 16.734 15.030 52.864 1.00 31.01 C ATOM 1326 ND1 HIS B 31 15.602 15.423 53.543 1.00 36.25 N ATOM 1327 CD2 HIS B 31 16.802 13.683 52.989 1.00 39.68 C ATOM 1328 CE1 HIS B 31 15.005 14.359 54.051 1.00 41.54 C ATOM 1329 NE2 HIS B 31 15.713 13.291 53.728 1.00 42.33 N ATOM 1330 H HIS B 31 20.193 17.709 52.140 1.00 0.00 H ATOM 1331 N ASP B 32 19.299 15.602 55.113 1.00 21.92 N ATOM 1332 CA ASP B 32 20.132 14.644 55.850 1.00 25.01 C ATOM 1333 C ASP B 32 21.624 14.982 55.775 1.00 24.04 C ATOM 1334 O ASP B 32 22.465 14.086 55.677 1.00 25.28 O ATOM 1335 CB ASP B 32 19.900 13.215 55.329 1.00 31.83 C ATOM 1336 CG ASP B 32 18.520 12.674 55.673 1.00 35.13 C ATOM 1337 OD1 ASP B 32 17.842 13.271 56.534 1.00 32.74 O ATOM 1338 OD2 ASP B 32 18.123 11.639 55.092 1.00 36.12 O ATOM 1339 H ASP B 32 18.512 16.068 55.608 1.00 0.00 H ATOM 1340 N GLY B 33 21.948 16.272 55.805 1.00 23.65 N ATOM 1341 CA GLY B 33 23.334 16.710 55.836 1.00 22.28 C ATOM 1342 C GLY B 33 24.034 16.805 54.486 1.00 21.91 C ATOM 1343 O GLY B 33 25.227 17.108 54.435 1.00 26.50 O ATOM 1344 H GLY B 33 21.191 16.985 55.806 1.00 0.00 H ATOM 1345 N ASP B 34 23.312 16.537 53.402 1.00 16.00 N ATOM 1346 CA ASP B 34 23.857 16.667 52.050 1.00 13.28 C ATOM 1347 C ASP B 34 23.052 17.690 51.265 1.00 13.42 C ATOM 1348 O ASP B 34 21.897 17.968 51.597 1.00 17.34 O ATOM 1349 CB ASP B 34 23.832 15.321 51.334 1.00 15.90 C ATOM 1350 CG ASP B 34 24.592 14.251 52.093 1.00 19.79 C ATOM 1351 OD1 ASP B 34 25.779 14.464 52.386 1.00 22.76 O ATOM 1352 OD2 ASP B 34 23.987 13.221 52.420 1.00 23.38 O ATOM 1353 H ASP B 34 22.327 16.225 53.519 1.00 0.00 H ATOM 1354 N SER B 35 23.667 18.245 50.228 1.00 10.90 N ATOM 1355 CA SER B 35 23.055 19.273 49.408 1.00 9.88 C ATOM 1356 C SER B 35 22.967 18.761 47.983 1.00 8.63 C ATOM 1357 O SER B 35 23.987 18.541 47.341 1.00 9.27 O ATOM 1358 CB SER B 35 23.918 20.537 49.444 1.00 13.68 C ATOM 1359 OG SER B 35 24.168 20.954 50.784 1.00 15.48 O ATOM 1360 HG SER B 35 23.308 21.146 51.235 1.00 0.00 H ATOM 1361 H SER B 35 24.630 17.929 49.993 1.00 0.00 H ATOM 1362 N TYR B 36 21.757 18.577 47.466 1.00 7.69 N ATOM 1363 CA TYR B 36 21.554 17.918 46.184 1.00 7.79 C ATOM 1364 C TYR B 36 21.565 18.897 45.013 1.00 7.82 C ATOM 1365 O TYR B 36 20.538 19.156 44.375 1.00 8.02 O ATOM 1366 CB TYR B 36 20.297 17.050 46.238 1.00 7.67 C ATOM 1367 CG TYR B 36 20.503 15.846 47.129 1.00 8.74 C ATOM 1368 CD1 TYR B 36 20.167 15.867 48.474 1.00 10.59 C ATOM 1369 CD2 TYR B 36 21.111 14.703 46.627 1.00 8.16 C ATOM 1370 CE1 TYR B 36 20.387 14.777 49.284 1.00 12.02 C ATOM 1371 CE2 TYR B 36 21.331 13.608 47.426 1.00 10.16 C ATOM 1372 CZ TYR B 36 20.968 13.644 48.750 1.00 10.21 C ATOM 1373 OH TYR B 36 21.206 12.528 49.532 1.00 12.94 O ATOM 1374 HH TYR B 36 20.894 12.701 50.455 1.00 0.00 H ATOM 1375 H TYR B 36 20.928 18.915 47.995 1.00 0.00 H ATOM 1376 N MET B 37 22.742 19.478 44.785 1.00 8.10 N ATOM 1377 CA MET B 37 23.002 20.383 43.678 1.00 8.04 C ATOM 1378 C MET B 37 24.073 19.796 42.764 1.00 6.72 C ATOM 1379 O MET B 37 25.169 19.431 43.226 1.00 8.56 O ATOM 1380 CB MET B 37 23.469 21.746 44.181 1.00 9.87 C ATOM 1381 CG MET B 37 23.453 22.832 43.075 1.00 12.50 C ATOM 1382 SD MET B 37 21.817 23.223 42.413 1.00 11.10 S ATOM 1383 CE MET B 37 21.224 24.379 43.636 1.00 12.58 C ATOM 1384 H MET B 37 23.523 19.271 45.440 1.00 0.00 H ATOM 1385 N ASN B 38 23.766 19.723 41.472 1.00 6.75 N ATOM 1386 CA ASN B 38 24.708 19.290 40.453 1.00 6.43 C ATOM 1387 C ASN B 38 25.109 20.444 39.552 1.00 6.57 C ATOM 1388 O ASN B 38 24.360 21.389 39.394 1.00 7.44 O ATOM 1389 CB ASN B 38 24.081 18.204 39.567 1.00 6.49 C ATOM 1390 CG ASN B 38 23.610 16.991 40.349 1.00 7.50 C ATOM 1391 OD1 ASN B 38 24.240 16.577 41.320 1.00 7.46 O ATOM 1392 ND2 ASN B 38 22.510 16.387 39.915 1.00 7.58 N ATOM 1393 HD22 ASN B 38 22.001 16.764 39.090 1.00 0.00 H ATOM 1394 HD21 ASN B 38 22.158 15.537 40.400 1.00 0.00 H ATOM 1395 H ASN B 38 22.805 19.989 41.176 1.00 0.00 H ATOM 1396 N TRP B 39 26.284 20.326 38.940 1.00 6.25 N ATOM 1397 CA TRP B 39 26.739 21.210 37.886 1.00 6.62 C ATOM 1398 C TRP B 39 27.059 20.440 36.615 1.00 5.97 C ATOM 1399 O TRP B 39 27.754 19.411 36.656 1.00 6.96 O ATOM 1400 CB TRP B 39 27.994 21.976 38.314 1.00 7.25 C ATOM 1401 CG TRP B 39 27.791 22.971 39.420 1.00 6.36 C ATOM 1402 CD1 TRP B 39 27.995 22.772 40.749 1.00 6.94 C ATOM 1403 CD2 TRP B 39 27.378 24.330 39.275 1.00 7.41 C ATOM 1404 NE1 TRP B 39 27.705 23.925 41.451 1.00 7.59 N ATOM 1405 CE2 TRP B 39 27.350 24.897 40.559 1.00 7.02 C ATOM 1406 CE3 TRP B 39 27.049 25.123 38.185 1.00 7.20 C ATOM 1407 CZ2 TRP B 39 26.995 26.205 40.771 1.00 7.11 C ATOM 1408 CZ3 TRP B 39 26.692 26.439 38.408 1.00 7.68 C ATOM 1409 CH2 TRP B 39 26.691 26.961 39.687 1.00 8.08 C ATOM 1410 HE1 TRP B 39 27.749 24.035 42.484 1.00 0.00 H ATOM 1411 H TRP B 39 26.914 19.553 39.236 1.00 0.00 H ATOM 1412 N PHE B 40 26.606 20.975 35.493 1.00 6.75 N ATOM 1413 CA PHE B 40 26.836 20.412 34.167 1.00 6.72 C ATOM 1414 C PHE B 40 27.529 21.419 33.231 1.00 7.33 C ATOM 1415 O PHE B 40 27.294 22.623 33.345 1.00 8.20 O ATOM 1416 CB PHE B 40 25.506 20.032 33.499 1.00 7.80 C ATOM 1417 CG PHE B 40 24.781 18.890 34.150 1.00 7.09 C ATOM 1418 CD1 PHE B 40 23.898 19.105 35.191 1.00 7.83 C ATOM 1419 CD2 PHE B 40 24.972 17.605 33.699 1.00 7.48 C ATOM 1420 CE1 PHE B 40 23.243 18.040 35.773 1.00 8.75 C ATOM 1421 CE2 PHE B 40 24.332 16.543 34.287 1.00 8.92 C ATOM 1422 CZ PHE B 40 23.461 16.762 35.318 1.00 8.54 C ATOM 1423 H PHE B 40 26.051 21.852 35.561 1.00 0.00 H ATOM 1424 N GLN B 41 28.312 20.911 32.283 1.00 7.19 N ATOM 1425 CA GLN B 41 28.918 21.678 31.189 1.00 7.92 C ATOM 1426 C GLN B 41 28.298 21.217 29.879 1.00 8.04 C ATOM 1427 O GLN B 41 28.152 20.014 29.661 1.00 9.30 O ATOM 1428 CB GLN B 41 30.413 21.381 31.125 1.00 8.29 C ATOM 1429 CG GLN B 41 31.165 22.145 30.086 1.00 9.20 C ATOM 1430 CD GLN B 41 32.564 21.609 29.919 1.00 8.96 C ATOM 1431 OE1 GLN B 41 32.751 20.474 29.473 1.00 11.71 O ATOM 1432 NE2 GLN B 41 33.564 22.409 30.288 1.00 10.63 N ATOM 1433 HE22 GLN B 41 33.360 23.359 30.659 1.00 0.00 H ATOM 1434 HE21 GLN B 41 34.548 22.083 30.205 1.00 0.00 H ATOM 1435 H GLN B 41 28.510 19.891 32.320 1.00 0.00 H ATOM 1436 N GLN B 42 27.936 22.148 29.005 1.00 8.04 N ATOM 1437 CA GLN B 42 27.439 21.774 27.676 1.00 9.05 C ATOM 1438 C GLN B 42 28.068 22.593 26.556 1.00 10.57 C ATOM 1439 O GLN B 42 28.119 23.795 26.635 1.00 10.99 O ATOM 1440 CB GLN B 42 25.919 21.914 27.642 1.00 9.48 C ATOM 1441 CG GLN B 42 25.304 21.414 26.353 1.00 10.81 C ATOM 1442 CD GLN B 42 23.794 21.553 26.348 1.00 10.20 C ATOM 1443 OE1 GLN B 42 23.246 22.528 26.868 1.00 11.78 O ATOM 1444 NE2 GLN B 42 23.109 20.573 25.771 1.00 11.07 N ATOM 1445 HE22 GLN B 42 23.611 19.769 25.344 1.00 0.00 H ATOM 1446 HE21 GLN B 42 22.070 20.610 25.746 1.00 0.00 H ATOM 1447 H GLN B 42 28.005 23.153 29.265 1.00 0.00 H ATOM 1448 N LYS B 43 28.511 21.914 25.504 1.00 11.81 N ATOM 1449 CA LYS B 43 29.025 22.564 24.300 1.00 13.91 C ATOM 1450 C LYS B 43 28.017 22.341 23.176 1.00 15.89 C ATOM 1451 O LYS B 43 27.257 21.376 23.202 1.00 16.22 O ATOM 1452 CB LYS B 43 30.382 21.995 23.926 1.00 15.84 C ATOM 1453 CG LYS B 43 31.415 22.209 25.008 1.00 15.13 C ATOM 1454 CD LYS B 43 32.787 21.788 24.587 1.00 17.38 C ATOM 1455 CE LYS B 43 33.765 21.921 25.744 1.00 16.94 C ATOM 1456 NZ LYS B 43 35.146 21.641 25.283 1.00 18.59 N ATOM 1457 HZ1 LYS B 43 35.195 20.673 24.905 1.00 0.00 H ATOM 1458 HZ2 LYS B 43 35.406 22.319 24.538 1.00 0.00 H ATOM 1459 HZ3 LYS B 43 35.803 21.736 26.083 1.00 0.00 H ATOM 1460 H LYS B 43 28.491 20.875 25.538 1.00 0.00 H ATOM 1461 N PRO B 44 27.981 23.245 22.189 1.00 17.05 N ATOM 1462 CA PRO B 44 26.956 23.143 21.144 1.00 19.98 C ATOM 1463 C PRO B 44 26.944 21.787 20.435 1.00 18.88 C ATOM 1464 O PRO B 44 27.996 21.255 20.106 1.00 21.81 O ATOM 1465 CB PRO B 44 27.335 24.271 20.181 1.00 24.57 C ATOM 1466 CG PRO B 44 28.012 25.281 21.044 1.00 26.53 C ATOM 1467 CD PRO B 44 28.778 24.481 22.056 1.00 20.66 C ATOM 1468 N GLY B 45 25.750 21.227 20.251 1.00 19.74 N ATOM 1469 CA GLY B 45 25.588 19.961 19.553 1.00 20.36 C ATOM 1470 C GLY B 45 25.809 18.736 20.422 1.00 19.49 C ATOM 1471 O GLY B 45 25.699 17.604 19.959 1.00 21.97 O ATOM 1472 H GLY B 45 24.906 21.711 20.618 1.00 0.00 H ATOM 1473 N GLN B 46 26.105 18.963 21.697 1.00 16.29 N ATOM 1474 CA GLN B 46 26.456 17.892 22.629 1.00 15.20 C ATOM 1475 C GLN B 46 25.533 17.869 23.835 1.00 11.73 C ATOM 1476 O GLN B 46 24.917 18.877 24.191 1.00 12.68 O ATOM 1477 CB GLN B 46 27.880 18.084 23.146 1.00 17.62 C ATOM 1478 CG GLN B 46 28.967 18.019 22.096 1.00 25.95 C ATOM 1479 CD GLN B 46 30.358 18.076 22.709 1.00 30.65 C ATOM 1480 OE1 GLN B 46 30.517 18.144 23.933 1.00 30.10 O ATOM 1481 NE2 GLN B 46 31.372 18.051 21.862 1.00 34.11 N ATOM 1482 HE22 GLN B 46 31.194 17.993 20.839 1.00 0.00 H ATOM 1483 HE21 GLN B 46 32.348 18.089 22.218 1.00 0.00 H ATOM 1484 H GLN B 46 26.086 19.942 22.047 1.00 0.00 H ATOM 1485 N SER B 47 25.451 16.725 24.498 1.00 13.69 N ATOM 1486 CA SER B 47 24.650 16.626 25.705 1.00 12.12 C ATOM 1487 C SER B 47 25.375 17.256 26.885 1.00 11.01 C ATOM 1488 O SER B 47 26.606 17.351 26.884 1.00 11.56 O ATOM 1489 CB SER B 47 24.358 15.165 26.049 1.00 14.24 C ATOM 1490 OG SER B 47 25.563 14.418 26.127 1.00 16.65 O ATOM 1491 HG SER B 47 25.353 13.477 26.350 1.00 0.00 H ATOM 1492 H SER B 47 25.965 15.890 24.151 1.00 0.00 H ATOM 1493 N PRO B 48 24.623 17.664 27.905 1.00 10.47 N ATOM 1494 CA PRO B 48 25.242 18.133 29.152 1.00 9.43 C ATOM 1495 C PRO B 48 26.121 17.065 29.770 1.00 9.84 C ATOM 1496 O PRO B 48 25.745 15.867 29.792 1.00 10.42 O ATOM 1497 CB PRO B 48 24.039 18.431 30.049 1.00 11.85 C ATOM 1498 CG PRO B 48 22.926 18.757 29.067 1.00 11.12 C ATOM 1499 CD PRO B 48 23.154 17.799 27.931 1.00 11.48 C ATOM 1500 N LYS B 49 27.265 17.497 30.293 1.00 8.99 N ATOM 1501 CA LYS B 49 28.228 16.609 30.920 1.00 8.31 C ATOM 1502 C LYS B 49 28.339 16.943 32.416 1.00 7.89 C ATOM 1503 O LYS B 49 28.609 18.097 32.788 1.00 7.90 O ATOM 1504 CB LYS B 49 29.568 16.789 30.220 1.00 11.84 C ATOM 1505 CG LYS B 49 30.711 16.040 30.829 1.00 16.35 C ATOM 1506 H LYS B 49 27.479 18.514 30.251 1.00 0.00 H ATOM 1507 N LEU B 50 28.114 15.947 33.266 1.00 7.41 N ATOM 1508 CA LEU B 50 28.146 16.159 34.715 1.00 7.23 C ATOM 1509 C LEU B 50 29.568 16.478 35.186 1.00 8.40 C ATOM 1510 O LEU B 50 30.502 15.717 34.931 1.00 8.38 O ATOM 1511 CB LEU B 50 27.604 14.934 35.456 1.00 7.36 C ATOM 1512 CG LEU B 50 27.575 15.020 36.984 1.00 7.31 C ATOM 1513 CD1 LEU B 50 26.544 16.014 37.450 1.00 9.53 C ATOM 1514 CD2 LEU B 50 27.315 13.645 37.616 1.00 9.19 C ATOM 1515 H LEU B 50 27.911 14.997 32.895 1.00 0.00 H ATOM 1516 N LEU B 51 29.721 17.591 35.897 1.00 6.82 N ATOM 1517 CA LEU B 51 31.007 18.018 36.465 1.00 7.88 C ATOM 1518 C LEU B 51 31.102 17.708 37.957 1.00 7.66 C ATOM 1519 O LEU B 51 32.114 17.182 38.434 1.00 7.92 O ATOM 1520 CB LEU B 51 31.213 19.524 36.290 1.00 7.17 C ATOM 1521 CG LEU B 51 31.177 20.072 34.863 1.00 9.38 C ATOM 1522 CD1 LEU B 51 31.217 21.594 34.940 1.00 12.31 C ATOM 1523 CD2 LEU B 51 32.311 19.507 34.027 1.00 11.53 C ATOM 1524 H LEU B 51 28.887 18.191 36.060 1.00 0.00 H ATOM 1525 N ILE B 52 30.066 18.092 38.687 1.00 7.17 N ATOM 1526 CA ILE B 52 30.028 18.086 40.153 1.00 8.35 C ATOM 1527 C ILE B 52 28.659 17.559 40.580 1.00 7.74 C ATOM 1528 O ILE B 52 27.643 17.987 39.999 1.00 7.73 O ATOM 1529 CB ILE B 52 30.193 19.523 40.738 1.00 8.02 C ATOM 1530 CG1 ILE B 52 31.530 20.179 40.353 1.00 9.39 C ATOM 1531 CG2 ILE B 52 29.974 19.547 42.252 1.00 9.89 C ATOM 1532 CD1 ILE B 52 32.781 19.580 40.939 1.00 10.58 C ATOM 1533 H ILE B 52 29.218 18.422 38.184 1.00 0.00 H ATOM 1534 N TYR B 53 28.617 16.675 41.582 1.00 7.40 N ATOM 1535 CA TYR B 53 27.351 16.247 42.169 1.00 7.58 C ATOM 1536 C TYR B 53 27.336 16.439 43.677 1.00 7.34 C ATOM 1537 O TYR B 53 28.383 16.491 44.322 1.00 8.18 O ATOM 1538 CB TYR B 53 26.994 14.804 41.784 1.00 8.02 C ATOM 1539 CG TYR B 53 27.997 13.793 42.241 1.00 8.21 C ATOM 1540 CD1 TYR B 53 29.123 13.487 41.470 1.00 8.44 C ATOM 1541 CD2 TYR B 53 27.837 13.135 43.452 1.00 8.09 C ATOM 1542 CE1 TYR B 53 30.055 12.573 41.897 1.00 9.09 C ATOM 1543 CE2 TYR B 53 28.772 12.224 43.886 1.00 8.76 C ATOM 1544 CZ TYR B 53 29.880 11.956 43.100 1.00 9.25 C ATOM 1545 OH TYR B 53 30.822 11.050 43.534 1.00 11.46 O ATOM 1546 HH TYR B 53 31.543 10.976 42.859 1.00 0.00 H ATOM 1547 H TYR B 53 29.507 16.283 41.952 1.00 0.00 H ATOM 1548 N ALA B 54 26.137 16.562 44.228 1.00 7.65 N ATOM 1549 CA ALA B 54 25.918 16.818 45.650 1.00 7.79 C ATOM 1550 C ALA B 54 26.843 17.926 46.174 1.00 8.29 C ATOM 1551 O ALA B 54 27.522 17.771 47.201 1.00 9.00 O ATOM 1552 CB ALA B 54 26.045 15.528 46.461 1.00 10.72 C ATOM 1553 H ALA B 54 25.304 16.471 43.613 1.00 0.00 H ATOM 1554 N ALA B 55 26.826 19.027 45.414 1.00 8.35 N ATOM 1555 CA ALA B 55 27.476 20.311 45.745 1.00 8.71 C ATOM 1556 C ALA B 55 28.988 20.338 45.558 1.00 8.04 C ATOM 1557 O ALA B 55 29.506 21.333 45.058 1.00 7.85 O ATOM 1558 CB ALA B 55 27.092 20.814 47.157 1.00 9.25 C ATOM 1559 H ALA B 55 26.311 18.974 44.512 1.00 0.00 H ATOM 1560 N SER B 56 29.699 19.293 45.961 1.00 8.06 N ATOM 1561 CA SER B 56 31.154 19.364 46.036 1.00 8.84 C ATOM 1562 C SER B 56 31.888 18.122 45.556 1.00 8.83 C ATOM 1563 O SER B 56 33.106 18.070 45.661 1.00 10.20 O ATOM 1564 CB SER B 56 31.569 19.664 47.478 1.00 10.32 C ATOM 1565 OG SER B 56 31.231 18.594 48.338 1.00 12.47 O ATOM 1566 HG SER B 56 31.510 18.814 49.262 1.00 0.00 H ATOM 1567 H SER B 56 29.213 18.413 46.227 1.00 0.00 H ATOM 1568 N ASN B 57 31.197 17.112 45.047 1.00 7.99 N ATOM 1569 CA ASN B 57 31.881 15.899 44.585 1.00 8.21 C ATOM 1570 C ASN B 57 32.256 15.979 43.113 1.00 9.08 C ATOM 1571 O ASN B 57 31.404 16.202 42.270 1.00 8.58 O ATOM 1572 CB ASN B 57 30.987 14.664 44.786 1.00 8.32 C ATOM 1573 CG ASN B 57 30.561 14.476 46.228 1.00 11.78 C ATOM 1574 OD1 ASN B 57 29.507 14.968 46.659 1.00 14.93 O ATOM 1575 ND2 ASN B 57 31.349 13.754 46.975 1.00 13.74 N ATOM 1576 HD22 ASN B 57 32.225 13.359 46.577 1.00 0.00 H ATOM 1577 HD21 ASN B 57 31.102 13.574 47.969 1.00 0.00 H ATOM 1578 H ASN B 57 30.162 17.180 44.975 1.00 0.00 H ATOM 1579 N LEU B 58 33.532 15.776 42.806 1.00 8.84 N ATOM 1580 CA LEU B 58 34.027 15.840 41.440 1.00 8.81 C ATOM 1581 C LEU B 58 33.709 14.540 40.724 1.00 10.58 C ATOM 1582 O LEU B 58 34.082 13.453 41.180 1.00 11.49 O ATOM 1583 CB LEU B 58 35.537 16.080 41.456 1.00 9.81 C ATOM 1584 CG LEU B 58 36.219 16.228 40.095 1.00 10.66 C ATOM 1585 CD1 LEU B 58 35.733 17.468 39.391 1.00 11.54 C ATOM 1586 CD2 LEU B 58 37.738 16.309 40.298 1.00 11.52 C ATOM 1587 H LEU B 58 34.203 15.563 43.572 1.00 0.00 H ATOM 1588 N GLU B 59 33.023 14.632 39.592 1.00 9.94 N ATOM 1589 CA GLU B 59 32.671 13.448 38.838 1.00 10.04 C ATOM 1590 C GLU B 59 33.912 12.819 38.223 1.00 11.49 C ATOM 1591 O GLU B 59 34.824 13.507 37.776 1.00 11.07 O ATOM 1592 CB GLU B 59 31.645 13.795 37.768 1.00 8.92 C ATOM 1593 CG GLU B 59 31.329 12.683 36.732 1.00 11.42 C ATOM 1594 CD GLU B 59 30.648 11.445 37.311 1.00 12.96 C ATOM 1595 OE1 GLU B 59 30.740 11.187 38.512 1.00 15.47 O ATOM 1596 OE2 GLU B 59 30.025 10.673 36.542 1.00 15.64 O ATOM 1597 H GLU B 59 32.734 15.568 39.242 1.00 0.00 H ATOM 1598 N SER B 60 33.940 11.493 38.203 1.00 11.89 N ATOM 1599 CA SER B 60 35.028 10.762 37.567 1.00 15.47 C ATOM 1600 C SER B 60 35.254 11.234 36.131 1.00 12.56 C ATOM 1601 O SER B 60 34.292 11.418 35.382 1.00 15.19 O ATOM 1602 CB SER B 60 34.681 9.269 37.554 1.00 17.71 C ATOM 1603 OG SER B 60 35.729 8.499 36.993 1.00 26.87 O ATOM 1604 HG SER B 60 36.553 8.626 37.527 1.00 0.00 H ATOM 1605 H SER B 60 33.167 10.962 38.652 1.00 0.00 H ATOM 1606 N GLY B 61 36.516 11.431 35.749 1.00 16.77 N ATOM 1607 CA GLY B 61 36.839 11.858 34.397 1.00 16.83 C ATOM 1608 C GLY B 61 36.968 13.366 34.220 1.00 15.48 C ATOM 1609 O GLY B 61 37.502 13.838 33.209 1.00 21.26 O ATOM 1610 H GLY B 61 37.285 11.276 36.432 1.00 0.00 H ATOM 1611 N ILE B 62 36.505 14.127 35.209 1.00 13.01 N ATOM 1612 CA ILE B 62 36.511 15.584 35.139 1.00 11.56 C ATOM 1613 C ILE B 62 37.760 16.151 35.835 1.00 10.93 C ATOM 1614 O ILE B 62 38.106 15.715 36.936 1.00 11.34 O ATOM 1615 CB ILE B 62 35.244 16.142 35.816 1.00 11.22 C ATOM 1616 CG1 ILE B 62 33.992 15.524 35.181 1.00 10.97 C ATOM 1617 CG2 ILE B 62 35.206 17.676 35.728 1.00 10.06 C ATOM 1618 CD1 ILE B 62 33.878 15.734 33.674 1.00 12.41 C ATOM 1619 H ILE B 62 36.126 13.667 36.061 1.00 0.00 H ATOM 1620 N PRO B 63 38.470 17.097 35.189 1.00 10.85 N ATOM 1621 CA PRO B 63 39.687 17.629 35.814 1.00 10.98 C ATOM 1622 C PRO B 63 39.437 18.331 37.143 1.00 10.45 C ATOM 1623 O PRO B 63 38.413 18.985 37.333 1.00 9.85 O ATOM 1624 CB PRO B 63 40.188 18.663 34.794 1.00 13.44 C ATOM 1625 CG PRO B 63 39.610 18.239 33.506 1.00 14.94 C ATOM 1626 CD PRO B 63 38.281 17.623 33.827 1.00 13.24 C ATOM 1627 N ALA B 64 40.410 18.249 38.038 1.00 10.99 N ATOM 1628 CA ALA B 64 40.315 18.845 39.355 1.00 11.09 C ATOM 1629 C ALA B 64 40.408 20.373 39.316 1.00 11.22 C ATOM 1630 O ALA B 64 40.296 21.014 40.354 1.00 12.03 O ATOM 1631 CB ALA B 64 41.371 18.258 40.277 1.00 14.68 C ATOM 1632 H ALA B 64 41.278 17.735 37.785 1.00 0.00 H ATOM 1633 N ARG B 65 40.577 20.953 38.123 1.00 10.29 N ATOM 1634 CA ARG B 65 40.425 22.401 37.941 1.00 9.95 C ATOM 1635 C ARG B 65 39.017 22.846 38.322 1.00 9.97 C ATOM 1636 O ARG B 65 38.823 24.003 38.686 1.00 9.58 O ATOM 1637 CB ARG B 65 40.727 22.803 36.493 1.00 9.39 C ATOM 1638 CG ARG B 65 42.099 22.381 35.996 1.00 10.43 C ATOM 1639 CD ARG B 65 42.403 22.925 34.615 1.00 9.71 C ATOM 1640 NE ARG B 65 41.541 22.388 33.561 1.00 13.14 N ATOM 1641 CZ ARG B 65 40.484 23.010 33.041 1.00 10.67 C ATOM 1642 NH1 ARG B 65 40.073 24.199 33.490 1.00 11.12 N ATOM 1643 NH2 ARG B 65 39.813 22.420 32.065 1.00 12.95 N ATOM 1644 HE ARG B 65 41.772 21.445 33.188 1.00 0.00 H ATOM 1645 HH12 ARG B 65 39.244 24.658 33.062 1.00 0.00 H ATOM 1646 HH11 ARG B 65 40.582 24.666 34.267 1.00 0.00 H ATOM 1647 HH22 ARG B 65 38.985 22.889 31.646 1.00 0.00 H ATOM 1648 HH21 ARG B 65 40.114 21.487 31.717 1.00 0.00 H ATOM 1649 H ARG B 65 40.823 20.362 37.303 1.00 0.00 H ATOM 1650 N PHE B 66 38.052 21.930 38.246 1.00 8.87 N ATOM 1651 CA PHE B 66 36.666 22.199 38.616 1.00 8.56 C ATOM 1652 C PHE B 66 36.407 21.802 40.068 1.00 8.62 C ATOM 1653 O PHE B 66 36.779 20.703 40.499 1.00 10.19 O ATOM 1654 CB PHE B 66 35.687 21.431 37.714 1.00 8.60 C ATOM 1655 CG PHE B 66 35.722 21.862 36.268 1.00 7.70 C ATOM 1656 CD1 PHE B 66 34.975 22.937 35.834 1.00 8.70 C ATOM 1657 CD2 PHE B 66 36.502 21.195 35.346 1.00 10.03 C ATOM 1658 CE1 PHE B 66 35.026 23.362 34.503 1.00 10.42 C ATOM 1659 CE2 PHE B 66 36.549 21.612 34.014 1.00 10.98 C ATOM 1660 CZ PHE B 66 35.801 22.689 33.603 1.00 10.37 C ATOM 1661 H PHE B 66 38.298 20.978 37.907 1.00 0.00 H ATOM 1662 N SER B 67 35.762 22.681 40.827 1.00 8.02 N ATOM 1663 CA SER B 67 35.321 22.347 42.175 1.00 8.67 C ATOM 1664 C SER B 67 34.022 23.054 42.526 1.00 7.42 C ATOM 1665 O SER B 67 33.670 24.065 41.903 1.00 9.21 O ATOM 1666 CB SER B 67 36.412 22.649 43.195 1.00 11.95 C ATOM 1667 OG SER B 67 36.655 24.023 43.298 1.00 12.63 O ATOM 1668 HG SER B 67 36.944 24.373 42.418 1.00 0.00 H ATOM 1669 H SER B 67 35.567 23.630 40.450 1.00 0.00 H ATOM 1670 N GLY B 68 33.284 22.509 43.491 1.00 8.51 N ATOM 1671 CA GLY B 68 32.019 23.068 43.924 1.00 8.38 C ATOM 1672 C GLY B 68 31.995 23.325 45.412 1.00 8.39 C ATOM 1673 O GLY B 68 32.630 22.594 46.174 1.00 9.37 O ATOM 1674 H GLY B 68 33.630 21.645 43.954 1.00 0.00 H ATOM 1675 N SER B 69 31.259 24.356 45.809 1.00 8.14 N ATOM 1676 CA SER B 69 31.049 24.696 47.215 1.00 9.43 C ATOM 1677 C SER B 69 29.618 25.139 47.461 1.00 8.62 C ATOM 1678 O SER B 69 28.881 25.441 46.509 1.00 8.18 O ATOM 1679 CB SER B 69 31.941 25.878 47.616 1.00 11.57 C ATOM 1680 OG SER B 69 33.319 25.585 47.519 1.00 11.32 O ATOM 1681 HG SER B 69 33.539 25.344 46.584 1.00 0.00 H ATOM 1682 H SER B 69 30.810 24.951 45.084 1.00 0.00 H ATOM 1683 N GLY B 70 29.242 25.197 48.738 1.00 8.54 N ATOM 1684 CA GLY B 70 27.961 25.736 49.161 1.00 9.17 C ATOM 1685 C GLY B 70 27.029 24.734 49.808 1.00 10.32 C ATOM 1686 O GLY B 70 27.295 23.523 49.821 1.00 12.17 O ATOM 1687 H GLY B 70 29.895 24.840 49.465 1.00 0.00 H ATOM 1688 N SER B 71 25.923 25.256 50.345 1.00 10.09 N ATOM 1689 CA SER B 71 24.891 24.438 50.976 1.00 11.14 C ATOM 1690 C SER B 71 23.632 25.282 51.102 1.00 10.53 C ATOM 1691 O SER B 71 23.670 26.500 50.935 1.00 10.81 O ATOM 1692 CB SER B 71 25.317 23.946 52.357 1.00 14.77 C ATOM 1693 OG SER B 71 25.415 25.033 53.232 1.00 17.87 O ATOM 1694 HG SER B 71 24.535 25.482 53.299 1.00 0.00 H ATOM 1695 H SER B 71 25.791 26.287 50.312 1.00 0.00 H ATOM 1696 N GLY B 72 22.520 24.620 51.373 1.00 10.24 N ATOM 1697 CA GLY B 72 21.269 25.311 51.637 1.00 11.87 C ATOM 1698 C GLY B 72 20.708 25.879 50.354 1.00 10.24 C ATOM 1699 O GLY B 72 20.212 25.149 49.512 1.00 9.75 O ATOM 1700 H GLY B 72 22.541 23.581 51.398 1.00 0.00 H ATOM 1701 N THR B 73 20.833 27.189 50.198 1.00 9.80 N ATOM 1702 CA THR B 73 20.356 27.878 49.007 1.00 9.68 C ATOM 1703 C THR B 73 21.464 28.470 48.143 1.00 11.49 C ATOM 1704 O THR B 73 21.167 28.987 47.072 1.00 14.97 O ATOM 1705 CB THR B 73 19.398 29.033 49.358 1.00 10.40 C ATOM 1706 OG1 THR B 73 20.058 29.953 50.231 1.00 12.33 O ATOM 1707 CG2 THR B 73 18.132 28.518 50.028 1.00 12.06 C ATOM 1708 HG1 THR B 73 20.861 30.316 49.780 1.00 0.00 H ATOM 1709 H THR B 73 21.287 27.744 50.951 1.00 0.00 H ATOM 1710 N ASP B 74 22.723 28.435 48.570 1.00 9.81 N ATOM 1711 CA ASP B 74 23.764 29.212 47.873 1.00 8.41 C ATOM 1712 C ASP B 74 24.933 28.314 47.473 1.00 8.11 C ATOM 1713 O ASP B 74 25.590 27.738 48.342 1.00 10.30 O ATOM 1714 CB ASP B 74 24.285 30.343 48.774 1.00 12.82 C ATOM 1715 CG ASP B 74 23.305 31.513 48.903 1.00 27.28 C ATOM 1716 OD1 ASP B 74 22.098 31.348 48.637 1.00 29.29 O ATOM 1717 OD2 ASP B 74 23.754 32.612 49.284 1.00 36.88 O ATOM 1718 H ASP B 74 22.974 27.858 49.398 1.00 0.00 H ATOM 1719 N PHE B 75 25.214 28.243 46.167 1.00 7.83 N ATOM 1720 CA PHE B 75 26.206 27.334 45.587 1.00 8.49 C ATOM 1721 C PHE B 75 27.111 28.035 44.584 1.00 7.38 C ATOM 1722 O PHE B 75 26.693 28.990 43.910 1.00 7.44 O ATOM 1723 CB PHE B 75 25.504 26.126 44.938 1.00 7.60 C ATOM 1724 CG PHE B 75 24.667 25.372 45.903 1.00 8.61 C ATOM 1725 CD1 PHE B 75 23.361 25.750 46.153 1.00 8.49 C ATOM 1726 CD2 PHE B 75 25.225 24.339 46.631 1.00 8.35 C ATOM 1727 CE1 PHE B 75 22.608 25.082 47.104 1.00 10.10 C ATOM 1728 CE2 PHE B 75 24.471 23.661 47.578 1.00 10.22 C ATOM 1729 CZ PHE B 75 23.164 24.038 47.803 1.00 10.84 C ATOM 1730 H PHE B 75 24.695 28.873 45.522 1.00 0.00 H ATOM 1731 N THR B 76 28.334 27.525 44.473 1.00 6.81 N ATOM 1732 CA THR B 76 29.269 28.024 43.493 1.00 8.81 C ATOM 1733 C THR B 76 30.042 26.911 42.789 1.00 7.23 C ATOM 1734 O THR B 76 30.381 25.904 43.405 1.00 9.24 O ATOM 1735 CB THR B 76 30.269 29.008 44.120 1.00 9.46 C ATOM 1736 OG1 THR B 76 30.878 28.429 45.261 1.00 14.08 O ATOM 1737 CG2 THR B 76 29.581 30.301 44.536 1.00 12.88 C ATOM 1738 HG1 THR B 76 31.358 27.605 44.995 1.00 0.00 H ATOM 1739 H THR B 76 28.623 26.751 45.105 1.00 0.00 H ATOM 1740 N LEU B 77 30.327 27.139 41.512 1.00 7.03 N ATOM 1741 CA LEU B 77 31.276 26.363 40.721 1.00 7.13 C ATOM 1742 C LEU B 77 32.513 27.223 40.486 1.00 8.88 C ATOM 1743 O LEU B 77 32.378 28.352 40.047 1.00 8.92 O ATOM 1744 CB LEU B 77 30.639 25.984 39.367 1.00 7.56 C ATOM 1745 CG LEU B 77 31.530 25.154 38.424 1.00 7.94 C ATOM 1746 CD1 LEU B 77 31.772 23.752 38.948 1.00 9.82 C ATOM 1747 CD2 LEU B 77 30.942 25.111 37.020 1.00 10.14 C ATOM 1748 H LEU B 77 29.838 27.928 41.042 1.00 0.00 H ATOM 1749 N ASN B 78 33.693 26.679 40.772 1.00 7.60 N ATOM 1750 CA ASN B 78 34.950 27.383 40.582 1.00 7.95 C ATOM 1751 C ASN B 78 35.783 26.643 39.548 1.00 8.00 C ATOM 1752 O ASN B 78 35.850 25.410 39.566 1.00 8.86 O ATOM 1753 CB ASN B 78 35.694 27.441 41.922 1.00 9.92 C ATOM 1754 CG ASN B 78 36.998 28.222 41.845 1.00 9.78 C ATOM 1755 OD1 ASN B 78 38.046 27.657 41.593 1.00 11.54 O ATOM 1756 ND2 ASN B 78 36.929 29.515 42.067 1.00 14.61 N ATOM 1757 HD22 ASN B 78 36.012 29.958 42.279 1.00 0.00 H ATOM 1758 HD21 ASN B 78 37.791 30.096 42.031 1.00 0.00 H ATOM 1759 H ASN B 78 33.717 25.709 41.147 1.00 0.00 H ATOM 1760 N ILE B 79 36.401 27.399 38.644 1.00 7.41 N ATOM 1761 CA ILE B 79 37.294 26.861 37.636 1.00 8.36 C ATOM 1762 C ILE B 79 38.653 27.511 37.848 1.00 8.17 C ATOM 1763 O ILE B 79 38.776 28.737 37.830 1.00 9.06 O ATOM 1764 CB ILE B 79 36.815 27.168 36.195 1.00 9.52 C ATOM 1765 CG1 ILE B 79 35.355 26.719 36.017 1.00 10.02 C ATOM 1766 CG2 ILE B 79 37.731 26.479 35.171 1.00 10.36 C ATOM 1767 CD1 ILE B 79 34.721 27.111 34.686 1.00 11.94 C ATOM 1768 H ILE B 79 36.236 28.426 38.661 1.00 0.00 H ATOM 1769 N HIS B 80 39.686 26.695 38.034 1.00 8.79 N ATOM 1770 CA HIS B 80 41.000 27.201 38.481 1.00 9.61 C ATOM 1771 C HIS B 80 42.114 26.290 37.971 1.00 11.16 C ATOM 1772 O HIS B 80 42.271 25.183 38.469 1.00 11.78 O ATOM 1773 CB HIS B 80 40.993 27.213 40.016 1.00 11.02 C ATOM 1774 CG HIS B 80 42.288 27.601 40.670 1.00 13.39 C ATOM 1775 ND1 HIS B 80 42.527 27.337 42.002 1.00 17.71 N ATOM 1776 CD2 HIS B 80 43.356 28.304 40.225 1.00 10.66 C ATOM 1777 CE1 HIS B 80 43.718 27.810 42.332 1.00 18.40 C ATOM 1778 NE2 HIS B 80 44.255 28.381 41.268 1.00 14.41 N ATOM 1779 H HIS B 80 39.566 25.677 37.861 1.00 0.00 H ATOM 1780 N PRO B 81 42.880 26.718 36.953 1.00 10.18 N ATOM 1781 CA PRO B 81 42.702 27.878 36.079 1.00 11.67 C ATOM 1782 C PRO B 81 41.752 27.560 34.936 1.00 10.54 C ATOM 1783 O PRO B 81 41.521 26.373 34.635 1.00 11.88 O ATOM 1784 CB PRO B 81 44.098 28.088 35.517 1.00 12.76 C ATOM 1785 CG PRO B 81 44.644 26.713 35.426 1.00 15.51 C ATOM 1786 CD PRO B 81 44.060 25.929 36.562 1.00 13.21 C ATOM 1787 N VAL B 82 41.193 28.586 34.312 1.00 10.96 N ATOM 1788 CA VAL B 82 40.429 28.429 33.083 1.00 10.82 C ATOM 1789 C VAL B 82 41.371 28.093 31.921 1.00 11.35 C ATOM 1790 O VAL B 82 42.460 28.653 31.798 1.00 12.41 O ATOM 1791 CB VAL B 82 39.640 29.715 32.781 1.00 14.71 C ATOM 1792 CG1 VAL B 82 39.017 29.661 31.404 1.00 21.51 C ATOM 1793 CG2 VAL B 82 38.577 29.941 33.831 1.00 14.04 C ATOM 1794 H VAL B 82 41.304 29.538 34.715 1.00 0.00 H ATOM 1795 N GLU B 83 40.923 27.167 31.074 1.00 10.51 N ATOM 1796 CA GLU B 83 41.636 26.745 29.867 1.00 11.28 C ATOM 1797 C GLU B 83 40.763 26.962 28.629 1.00 12.97 C ATOM 1798 O GLU B 83 39.555 27.131 28.751 1.00 12.68 O ATOM 1799 CB GLU B 83 42.006 25.259 29.976 1.00 13.80 C ATOM 1800 CG GLU B 83 42.847 24.897 31.208 1.00 17.98 C ATOM 1801 CD GLU B 83 44.300 25.366 31.156 1.00 27.44 C ATOM 1802 OE1 GLU B 83 44.760 25.884 30.113 1.00 25.72 O ATOM 1803 OE2 GLU B 83 44.996 25.207 32.185 1.00 32.17 O ATOM 1804 H GLU B 83 40.010 26.716 31.283 1.00 0.00 H ATOM 1805 N GLU B 84 41.363 26.946 27.442 1.00 15.75 N ATOM 1806 CA GLU B 84 40.621 27.222 26.204 1.00 18.18 C ATOM 1807 C GLU B 84 39.398 26.332 26.025 1.00 17.83 C ATOM 1808 O GLU B 84 38.343 26.788 25.578 1.00 17.01 O ATOM 1809 CB GLU B 84 41.538 27.049 24.990 1.00 23.64 C ATOM 1810 CG GLU B 84 42.614 28.113 24.847 1.00 35.28 C ATOM 1811 CD GLU B 84 42.076 29.450 24.352 1.00 42.28 C ATOM 1812 OE1 GLU B 84 40.919 29.505 23.880 1.00 43.54 O ATOM 1813 OE2 GLU B 84 42.819 30.450 24.434 1.00 43.73 O ATOM 1814 H GLU B 84 42.380 26.733 27.389 1.00 0.00 H ATOM 1815 N GLU B 85 39.524 25.068 26.411 1.00 13.16 N ATOM 1816 CA GLU B 85 38.467 24.098 26.190 1.00 13.36 C ATOM 1817 C GLU B 85 37.270 24.314 27.097 1.00 13.05 C ATOM 1818 O GLU B 85 36.288 23.595 26.970 1.00 13.35 O ATOM 1819 CB GLU B 85 39.007 22.685 26.425 1.00 16.35 C ATOM 1820 CG GLU B 85 39.442 22.424 27.868 1.00 27.10 C ATOM 1821 CD GLU B 85 39.442 20.954 28.247 1.00 43.44 C ATOM 1822 OE1 GLU B 85 39.088 20.114 27.393 1.00 51.10 O ATOM 1823 OE2 GLU B 85 39.791 20.639 29.410 1.00 43.70 O ATOM 1824 H GLU B 85 40.400 24.766 26.883 1.00 0.00 H ATOM 1825 N ASP B 86 37.353 25.273 28.022 1.00 11.31 N ATOM 1826 CA ASP B 86 36.270 25.478 28.978 1.00 11.43 C ATOM 1827 C ASP B 86 35.159 26.358 28.425 1.00 9.90 C ATOM 1828 O ASP B 86 34.144 26.530 29.104 1.00 10.49 O ATOM 1829 CB ASP B 86 36.794 26.099 30.276 1.00 11.69 C ATOM 1830 CG ASP B 86 37.752 25.198 31.029 1.00 10.21 C ATOM 1831 OD1 ASP B 86 37.744 23.963 30.834 1.00 11.15 O ATOM 1832 OD2 ASP B 86 38.528 25.763 31.837 1.00 10.37 O ATOM 1833 H ASP B 86 38.197 25.879 28.062 1.00 0.00 H ATOM 1834 N ALA B 87 35.316 26.873 27.210 1.00 9.90 N ATOM 1835 CA ALA B 87 34.255 27.664 26.573 1.00 11.29 C ATOM 1836 C ALA B 87 33.051 26.747 26.386 1.00 11.43 C ATOM 1837 O ALA B 87 33.154 25.708 25.736 1.00 13.42 O ATOM 1838 CB ALA B 87 34.720 28.224 25.255 1.00 14.33 C ATOM 1839 H ALA B 87 36.208 26.713 26.700 1.00 0.00 H ATOM 1840 N ALA B 88 31.922 27.117 26.980 1.00 10.24 N ATOM 1841 CA ALA B 88 30.767 26.238 27.116 1.00 10.46 C ATOM 1842 C ALA B 88 29.690 26.979 27.889 1.00 9.76 C ATOM 1843 O ALA B 88 29.928 28.058 28.408 1.00 10.27 O ATOM 1844 CB ALA B 88 31.147 24.993 27.871 1.00 10.32 C ATOM 1845 H ALA B 88 31.859 28.080 27.367 1.00 0.00 H ATOM 1846 N THR B 89 28.509 26.383 27.975 1.00 9.63 N ATOM 1847 CA THR B 89 27.473 26.864 28.883 1.00 9.61 C ATOM 1848 C THR B 89 27.377 25.923 30.086 1.00 9.44 C ATOM 1849 O THR B 89 27.372 24.695 29.928 1.00 11.00 O ATOM 1850 CB THR B 89 26.116 27.013 28.160 1.00 10.67 C ATOM 1851 OG1 THR B 89 26.252 28.019 27.148 1.00 14.09 O ATOM 1852 CG2 THR B 89 25.018 27.435 29.139 1.00 11.18 C ATOM 1853 HG1 THR B 89 25.390 28.127 26.674 1.00 0.00 H ATOM 1854 H THR B 89 28.316 25.552 27.380 1.00 0.00 H ATOM 1855 N TYR B 90 27.320 26.493 31.287 1.00 8.62 N ATOM 1856 CA TYR B 90 27.285 25.757 32.550 1.00 8.79 C ATOM 1857 C TYR B 90 25.906 25.886 33.189 1.00 7.48 C ATOM 1858 O TYR B 90 25.331 26.967 33.213 1.00 8.63 O ATOM 1859 CB TYR B 90 28.387 26.266 33.510 1.00 7.22 C ATOM 1860 CG TYR B 90 29.759 26.021 32.938 1.00 8.52 C ATOM 1861 CD1 TYR B 90 30.471 24.900 33.298 1.00 8.74 C ATOM 1862 CD2 TYR B 90 30.323 26.871 32.004 1.00 8.57 C ATOM 1863 CE1 TYR B 90 31.692 24.624 32.753 1.00 8.66 C ATOM 1864 CE2 TYR B 90 31.544 26.593 31.430 1.00 9.16 C ATOM 1865 CZ TYR B 90 32.237 25.467 31.829 1.00 8.38 C ATOM 1866 OH TYR B 90 33.459 25.147 31.286 1.00 9.00 O ATOM 1867 HH TYR B 90 33.361 25.019 30.309 1.00 0.00 H ATOM 1868 H TYR B 90 27.299 27.532 31.330 1.00 0.00 H ATOM 1869 N TYR B 91 25.376 24.770 33.687 1.00 6.39 N ATOM 1870 CA TYR B 91 24.061 24.742 34.346 1.00 6.65 C ATOM 1871 C TYR B 91 24.157 24.129 35.715 1.00 6.54 C ATOM 1872 O TYR B 91 24.822 23.117 35.883 1.00 7.73 O ATOM 1873 CB TYR B 91 23.066 23.880 33.567 1.00 7.50 C ATOM 1874 CG TYR B 91 22.748 24.368 32.170 1.00 8.46 C ATOM 1875 CD1 TYR B 91 21.725 25.296 31.946 1.00 8.07 C ATOM 1876 CD2 TYR B 91 23.482 23.930 31.069 1.00 9.63 C ATOM 1877 CE1 TYR B 91 21.450 25.751 30.687 1.00 8.42 C ATOM 1878 CE2 TYR B 91 23.179 24.374 29.794 1.00 9.96 C ATOM 1879 CZ TYR B 91 22.180 25.301 29.613 1.00 9.34 C ATOM 1880 OH TYR B 91 21.881 25.750 28.343 1.00 12.41 O ATOM 1881 HH TYR B 91 21.143 26.409 28.392 1.00 0.00 H ATOM 1882 H TYR B 91 25.913 23.883 33.607 1.00 0.00 H ATOM 1883 N CYS B 92 23.455 24.694 36.691 1.00 7.08 N ATOM 1884 CA CYS B 92 23.168 23.984 37.939 1.00 7.33 C ATOM 1885 C CYS B 92 21.821 23.265 37.852 1.00 5.90 C ATOM 1886 O CYS B 92 20.954 23.641 37.056 1.00 7.38 O ATOM 1887 CB CYS B 92 23.222 24.918 39.158 1.00 7.44 C ATOM 1888 SG CYS B 92 22.121 26.366 39.039 1.00 8.54 S ATOM 1889 H CYS B 92 23.101 25.664 36.566 1.00 0.00 H ATOM 1890 N GLN B 93 21.666 22.253 38.686 1.00 6.41 N ATOM 1891 CA GLN B 93 20.453 21.438 38.721 1.00 6.18 C ATOM 1892 C GLN B 93 20.242 20.939 40.144 1.00 6.43 C ATOM 1893 O GLN B 93 21.172 20.391 40.722 1.00 6.96 O ATOM 1894 CB GLN B 93 20.583 20.216 37.793 1.00 6.86 C ATOM 1895 CG GLN B 93 19.315 19.351 37.768 1.00 7.24 C ATOM 1896 CD GLN B 93 19.572 17.908 37.464 1.00 7.04 C ATOM 1897 OE1 GLN B 93 20.627 17.370 37.771 1.00 7.64 O ATOM 1898 NE2 GLN B 93 18.573 17.238 36.882 1.00 8.65 N ATOM 1899 HE22 GLN B 93 17.691 17.730 36.636 1.00 0.00 H ATOM 1900 HE21 GLN B 93 18.678 16.224 36.675 1.00 0.00 H ATOM 1901 H GLN B 93 22.438 22.027 39.345 1.00 0.00 H ATOM 1902 N GLN B 94 19.040 21.071 40.715 1.00 6.39 N ATOM 1903 CA GLN B 94 18.740 20.466 42.011 1.00 6.36 C ATOM 1904 C GLN B 94 17.924 19.193 41.828 1.00 6.49 C ATOM 1905 O GLN B 94 17.030 19.116 40.980 1.00 6.95 O ATOM 1906 CB GLN B 94 18.015 21.428 42.959 1.00 7.15 C ATOM 1907 CG GLN B 94 16.559 21.786 42.586 1.00 7.53 C ATOM 1908 CD GLN B 94 15.530 20.747 43.011 1.00 8.21 C ATOM 1909 OE1 GLN B 94 15.753 19.946 43.932 1.00 8.01 O ATOM 1910 NE2 GLN B 94 14.389 20.751 42.345 1.00 7.51 N ATOM 1911 HE22 GLN B 94 14.237 21.437 41.578 1.00 0.00 H ATOM 1912 HE21 GLN B 94 13.643 20.068 42.587 1.00 0.00 H ATOM 1913 H GLN B 94 18.302 21.617 40.226 1.00 0.00 H ATOM 1914 N THR B 95 18.265 18.196 42.632 1.00 6.58 N ATOM 1915 CA THR B 95 17.597 16.904 42.611 1.00 7.13 C ATOM 1916 C THR B 95 17.116 16.504 44.010 1.00 8.02 C ATOM 1917 O THR B 95 16.992 15.298 44.315 1.00 8.99 O ATOM 1918 CB THR B 95 18.547 15.846 42.051 1.00 7.93 C ATOM 1919 OG1 THR B 95 19.700 15.806 42.880 1.00 8.90 O ATOM 1920 CG2 THR B 95 18.968 16.194 40.631 1.00 7.48 C ATOM 1921 HG1 THR B 95 20.330 15.125 42.534 1.00 0.00 H ATOM 1922 H THR B 95 19.043 18.344 43.306 1.00 0.00 H ATOM 1923 N ASN B 96 16.861 17.494 44.861 1.00 8.00 N ATOM 1924 CA ASN B 96 16.351 17.269 46.207 1.00 8.81 C ATOM 1925 C ASN B 96 14.839 17.042 46.225 1.00 11.16 C ATOM 1926 O ASN B 96 14.332 16.281 47.060 1.00 11.29 O ATOM 1927 CB ASN B 96 16.660 18.459 47.118 1.00 9.56 C ATOM 1928 CG ASN B 96 16.349 18.169 48.568 1.00 12.06 C ATOM 1929 OD1 ASN B 96 16.730 17.123 49.085 1.00 14.29 O ATOM 1930 ND2 ASN B 96 15.673 19.089 49.235 1.00 13.41 N ATOM 1931 HD22 ASN B 96 15.370 19.961 48.756 1.00 0.00 H ATOM 1932 HD21 ASN B 96 15.444 18.941 50.239 1.00 0.00 H ATOM 1933 H ASN B 96 17.033 18.472 44.552 1.00 0.00 H ATOM 1934 N GLU B 97 14.109 17.724 45.338 1.00 9.14 N ATOM 1935 CA GLU B 97 12.652 17.655 45.358 1.00 9.95 C ATOM 1936 C GLU B 97 12.099 17.659 43.954 1.00 9.16 C ATOM 1937 O GLU B 97 12.666 18.235 43.043 1.00 10.89 O ATOM 1938 CB GLU B 97 12.030 18.732 46.220 1.00 14.46 C ATOM 1939 CG GLU B 97 12.049 20.090 45.659 1.00 14.13 C ATOM 1940 CD GLU B 97 11.259 21.024 46.528 1.00 15.72 C ATOM 1941 OE1 GLU B 97 10.161 21.438 46.093 1.00 12.61 O ATOM 1942 OE2 GLU B 97 11.731 21.318 47.649 1.00 15.62 O ATOM 1943 H GLU B 97 14.585 18.312 44.624 1.00 0.00 H ATOM 1944 N ASP B 98 10.999 16.952 43.783 1.00 9.36 N ATOM 1945 CA ASP B 98 10.349 16.845 42.482 1.00 8.20 C ATOM 1946 C ASP B 98 9.466 18.066 42.261 1.00 8.85 C ATOM 1947 O ASP B 98 8.757 18.491 43.184 1.00 10.20 O ATOM 1948 CB ASP B 98 9.459 15.611 42.422 1.00 8.48 C ATOM 1949 CG ASP B 98 10.233 14.314 42.555 1.00 10.11 C ATOM 1950 OD1 ASP B 98 11.464 14.293 42.335 1.00 9.95 O ATOM 1951 OD2 ASP B 98 9.566 13.297 42.862 1.00 11.78 O ATOM 1952 H ASP B 98 10.584 16.457 44.598 1.00 0.00 H ATOM 1953 N PRO B 99 9.471 18.632 41.033 1.00 8.02 N ATOM 1954 CA PRO B 99 10.281 18.236 39.879 1.00 7.91 C ATOM 1955 C PRO B 99 11.704 18.748 40.001 1.00 7.35 C ATOM 1956 O PRO B 99 11.942 19.846 40.519 1.00 7.66 O ATOM 1957 CB PRO B 99 9.582 18.949 38.715 1.00 9.00 C ATOM 1958 CG PRO B 99 8.956 20.190 39.339 1.00 10.79 C ATOM 1959 CD PRO B 99 8.530 19.728 40.707 1.00 9.03 C ATOM 1960 N TYR B 100 12.665 17.991 39.507 1.00 7.53 N ATOM 1961 CA TYR B 100 14.021 18.526 39.441 1.00 7.32 C ATOM 1962 C TYR B 100 13.977 19.772 38.582 1.00 6.87 C ATOM 1963 O TYR B 100 13.182 19.841 37.652 1.00 7.75 O ATOM 1964 CB TYR B 100 15.016 17.528 38.823 1.00 7.36 C ATOM 1965 CG TYR B 100 15.118 16.183 39.492 1.00 7.95 C ATOM 1966 CD1 TYR B 100 14.572 15.942 40.739 1.00 7.96 C ATOM 1967 CD2 TYR B 100 15.794 15.142 38.856 1.00 7.88 C ATOM 1968 CE1 TYR B 100 14.674 14.670 41.319 1.00 8.41 C ATOM 1969 CE2 TYR B 100 15.918 13.906 39.423 1.00 7.77 C ATOM 1970 CZ TYR B 100 15.359 13.662 40.643 1.00 8.57 C ATOM 1971 OH TYR B 100 15.469 12.384 41.181 1.00 10.00 O ATOM 1972 HH TYR B 100 15.019 12.358 42.063 1.00 0.00 H ATOM 1973 H TYR B 100 12.459 17.029 39.170 1.00 0.00 H ATOM 1974 N THR B 101 14.860 20.724 38.861 1.00 6.87 N ATOM 1975 CA THR B 101 14.888 21.977 38.115 1.00 6.81 C ATOM 1976 C THR B 101 16.327 22.388 37.841 1.00 6.82 C ATOM 1977 O THR B 101 17.256 21.956 38.529 1.00 7.43 O ATOM 1978 CB THR B 101 14.141 23.097 38.885 1.00 7.28 C ATOM 1979 OG1 THR B 101 14.612 23.105 40.233 1.00 8.68 O ATOM 1980 CG2 THR B 101 12.635 22.847 38.889 1.00 8.57 C ATOM 1981 HG1 THR B 101 14.145 23.815 40.740 1.00 0.00 H ATOM 1982 H THR B 101 15.546 20.573 39.628 1.00 0.00 H ATOM 1983 N PHE B 102 16.474 23.225 36.822 1.00 7.24 N ATOM 1984 CA PHE B 102 17.763 23.669 36.328 1.00 6.93 C ATOM 1985 C PHE B 102 17.829 25.179 36.377 1.00 7.40 C ATOM 1986 O PHE B 102 16.815 25.870 36.219 1.00 7.63 O ATOM 1987 CB PHE B 102 17.959 23.270 34.858 1.00 8.23 C ATOM 1988 CG PHE B 102 18.121 21.789 34.611 1.00 8.12 C ATOM 1989 CD1 PHE B 102 17.019 20.963 34.466 1.00 8.33 C ATOM 1990 CD2 PHE B 102 19.375 21.241 34.448 1.00 7.73 C ATOM 1991 CE1 PHE B 102 17.165 19.621 34.194 1.00 8.74 C ATOM 1992 CE2 PHE B 102 19.519 19.902 34.167 1.00 8.86 C ATOM 1993 CZ PHE B 102 18.399 19.092 34.055 1.00 8.79 C ATOM 1994 H PHE B 102 15.618 23.582 36.352 1.00 0.00 H ATOM 1995 N GLY B 103 19.034 25.694 36.570 1.00 7.79 N ATOM 1996 CA GLY B 103 19.295 27.104 36.368 1.00 7.51 C ATOM 1997 C GLY B 103 19.263 27.464 34.900 1.00 8.22 C ATOM 1998 O GLY B 103 19.226 26.588 34.031 1.00 8.53 O ATOM 1999 H GLY B 103 19.810 25.072 36.873 1.00 0.00 H ATOM 2000 N GLY B 104 19.286 28.762 34.614 1.00 8.91 N ATOM 2001 CA GLY B 104 19.152 29.261 33.261 1.00 8.33 C ATOM 2002 C GLY B 104 20.409 29.205 32.410 1.00 9.01 C ATOM 2003 O GLY B 104 20.367 29.524 31.220 1.00 10.91 O ATOM 2004 H GLY B 104 19.405 29.444 35.390 1.00 0.00 H ATOM 2005 N GLY B 105 21.523 28.809 33.006 1.00 9.12 N ATOM 2006 CA GLY B 105 22.773 28.694 32.268 1.00 8.85 C ATOM 2007 C GLY B 105 23.685 29.909 32.377 1.00 8.75 C ATOM 2008 O GLY B 105 23.222 31.033 32.524 1.00 9.99 O ATOM 2009 H GLY B 105 21.505 28.576 34.019 1.00 0.00 H ATOM 2010 N THR B 106 24.991 29.667 32.300 1.00 8.51 N ATOM 2011 CA THR B 106 25.998 30.719 32.251 1.00 8.60 C ATOM 2012 C THR B 106 26.928 30.383 31.092 1.00 8.53 C ATOM 2013 O THR B 106 27.556 29.318 31.099 1.00 9.24 O ATOM 2014 CB THR B 106 26.799 30.779 33.567 1.00 8.86 C ATOM 2015 OG1 THR B 106 25.933 31.118 34.658 1.00 10.52 O ATOM 2016 CG2 THR B 106 27.947 31.787 33.469 1.00 10.59 C ATOM 2017 HG1 THR B 106 25.521 32.002 34.488 1.00 0.00 H ATOM 2018 H THR B 106 25.309 28.677 32.273 1.00 0.00 H ATOM 2019 N LYS B 107 27.026 31.269 30.107 1.00 10.22 N ATOM 2020 CA LYS B 107 27.916 31.064 28.967 1.00 9.74 C ATOM 2021 C LYS B 107 29.284 31.654 29.236 1.00 10.30 C ATOM 2022 O LYS B 107 29.419 32.858 29.464 1.00 12.10 O ATOM 2023 CB LYS B 107 27.340 31.672 27.687 1.00 12.57 C ATOM 2024 CG LYS B 107 28.123 31.270 26.440 1.00 19.74 C ATOM 2025 CD LYS B 107 27.510 31.837 25.161 1.00 29.02 C ATOM 2026 CE LYS B 107 28.438 31.648 23.968 1.00 35.17 C ATOM 2027 NZ LYS B 107 27.859 32.184 22.703 1.00 39.65 N ATOM 2028 HZ1 LYS B 107 26.966 31.692 22.496 1.00 0.00 H ATOM 2029 HZ2 LYS B 107 27.678 33.203 22.810 1.00 0.00 H ATOM 2030 HZ3 LYS B 107 28.530 32.030 21.923 1.00 0.00 H ATOM 2031 H LYS B 107 26.452 32.135 30.149 1.00 0.00 H ATOM 2032 N LEU B 108 30.293 30.790 29.217 1.00 9.92 N ATOM 2033 CA LEU B 108 31.678 31.186 29.447 1.00 9.68 C ATOM 2034 C LEU B 108 32.420 31.254 28.125 1.00 11.21 C ATOM 2035 O LEU B 108 32.394 30.304 27.339 1.00 12.68 O ATOM 2036 CB LEU B 108 32.348 30.171 30.376 1.00 12.76 C ATOM 2037 CG LEU B 108 33.793 30.457 30.785 1.00 13.67 C ATOM 2038 CD1 LEU B 108 33.898 31.748 31.546 1.00 23.63 C ATOM 2039 CD2 LEU B 108 34.325 29.310 31.626 1.00 18.87 C ATOM 2040 H LEU B 108 30.087 29.788 29.030 1.00 0.00 H ATOM 2041 N GLU B 109 33.067 32.393 27.881 1.00 12.38 N ATOM 2042 CA GLU B 109 33.968 32.582 26.755 1.00 17.62 C ATOM 2043 C GLU B 109 35.369 32.877 27.264 1.00 18.15 C ATOM 2044 O GLU B 109 35.545 33.411 28.361 1.00 15.86 O ATOM 2045 CB GLU B 109 33.528 33.768 25.903 1.00 23.38 C ATOM 2046 CG GLU B 109 32.267 33.541 25.110 1.00 35.22 C ATOM 2047 CD GLU B 109 31.916 34.737 24.247 1.00 46.10 C ATOM 2048 OE1 GLU B 109 32.435 35.839 24.528 1.00 45.55 O ATOM 2049 OE2 GLU B 109 31.130 34.571 23.288 1.00 51.89 O ATOM 2050 H GLU B 109 32.920 33.191 28.532 1.00 0.00 H ATOM 2051 N ILE B 110 36.355 32.512 26.453 1.00 21.18 N ATOM 2052 CA ILE B 110 37.751 32.799 26.750 1.00 27.21 C ATOM 2053 C ILE B 110 38.191 33.951 25.863 1.00 29.22 C ATOM 2054 O ILE B 110 38.132 33.856 24.641 1.00 29.33 O ATOM 2055 CB ILE B 110 38.645 31.567 26.477 1.00 37.10 C ATOM 2056 CG1 ILE B 110 38.035 30.310 27.102 1.00 37.97 C ATOM 2057 CG2 ILE B 110 40.056 31.798 27.004 1.00 40.44 C ATOM 2058 CD1 ILE B 110 37.780 30.420 28.581 1.00 39.84 C ATOM 2059 H ILE B 110 36.122 32.004 25.576 1.00 0.00 H ATOM 2060 N LYS B 111 38.602 35.052 26.479 1.00 29.86 N ATOM 2061 CA LYS B 111 39.053 36.218 25.723 1.00 37.48 C ATOM 2062 C LYS B 111 40.564 36.206 25.566 1.00 45.10 C ATOM 2063 O LYS B 111 41.116 35.317 24.918 1.00 47.90 O ATOM 2064 CB LYS B 111 38.600 37.516 26.391 1.00 33.85 C ATOM 2065 CG LYS B 111 38.856 37.589 27.876 1.00 28.94 C ATOM 2066 CD LYS B 111 38.657 39.009 28.379 1.00 27.30 C ATOM 2067 CE LYS B 111 38.529 39.047 29.880 1.00 28.26 C ATOM 2068 NZ LYS B 111 38.630 40.421 30.407 1.00 30.92 N ATOM 2069 HZ1 LYS B 111 39.554 40.823 30.148 1.00 0.00 H ATOM 2070 HZ2 LYS B 111 37.871 41.004 30.000 1.00 0.00 H ATOM 2071 HZ3 LYS B 111 38.537 40.401 31.443 1.00 0.00 H ATOM 2072 H LYS B 111 38.603 35.086 27.518 1.00 0.00 H TER 2073 LYS B 111 HETATM 2074 O HOH 1 18.461 7.805 38.566 1.00 8.64 O HETATM 2075 O HOH 2 3.251 11.911 38.310 1.00 15.90 O HETATM 2076 O HOH 3 14.593 2.731 44.110 1.00 11.01 O HETATM 2077 O HOH 4 10.823 6.174 29.529 1.00 9.94 O HETATM 2078 O HOH 5 5.039 2.177 32.899 1.00 12.66 O HETATM 2079 O HOH 6 14.491 0.435 45.655 1.00 11.15 O HETATM 2080 O HOH 7 6.682 0.814 31.094 1.00 14.44 O HETATM 2081 O HOH 8 14.110 23.397 35.009 1.00 10.01 O HETATM 2082 O HOH 9 13.246 9.555 17.447 1.00 15.45 O HETATM 2083 O HOH 10 8.060 -6.424 37.322 1.00 14.54 O HETATM 2084 O HOH 11 18.490 2.448 34.033 1.00 10.95 O HETATM 2085 O HOH 12 6.196 5.561 25.956 1.00 13.11 O HETATM 2086 O HOH 13 3.844 4.364 31.724 1.00 13.15 O HETATM 2087 O HOH 14 10.440 -6.177 36.618 1.00 12.96 O HETATM 2088 O HOH 15 24.696 -7.805 35.201 1.00 11.71 O HETATM 2089 O HOH 16 12.498 23.316 27.538 1.00 16.52 O HETATM 2090 O HOH 17 26.971 11.301 29.629 1.00 18.03 O HETATM 2091 O HOH 18 23.811 -2.507 35.599 1.00 14.35 O HETATM 2092 O HOH 19 17.615 -4.473 32.723 1.00 15.41 O HETATM 2093 O HOH 20 25.603 7.768 26.525 1.00 20.06 O HETATM 2094 O HOH 21 7.141 19.025 25.329 1.00 15.89 O HETATM 2095 O HOH 22 7.314 16.272 39.811 1.00 12.08 O HETATM 2096 O HOH 23 9.636 24.377 33.951 1.00 24.83 O HETATM 2097 O HOH 24 15.173 9.662 22.218 1.00 10.78 O HETATM 2098 O HOH 25 5.750 21.263 36.450 1.00 19.59 O HETATM 2099 O HOH 26 13.225 21.949 17.575 1.00 21.24 O HETATM 2100 O HOH 27 22.848 17.172 22.091 1.00 16.89 O HETATM 2101 O HOH 28 19.022 25.769 26.276 1.00 16.68 O HETATM 2102 O HOH 29 3.024 6.766 33.036 1.00 16.92 O HETATM 2103 O HOH 30 8.150 22.767 28.048 1.00 22.30 O HETATM 2104 O HOH 31 10.132 -4.623 34.607 1.00 14.90 O HETATM 2105 O HOH 32 10.138 7.667 41.407 1.00 22.48 O HETATM 2106 O HOH 33 1.936 10.936 25.803 1.00 17.72 O HETATM 2107 O HOH 34 23.488 1.834 23.579 1.00 22.79 O HETATM 2108 O HOH 35 26.566 13.886 31.974 1.00 17.64 O HETATM 2109 O HOH 36 17.218 4.010 20.599 1.00 18.37 O HETATM 2110 O HOH 37 13.379 28.183 22.510 1.00 22.17 O HETATM 2111 O HOH 38 9.987 20.487 34.514 1.00 13.07 O HETATM 2112 O HOH 39 10.002 2.876 42.232 1.00 18.84 O HETATM 2113 O HOH 40 15.110 22.934 19.237 1.00 20.08 O HETATM 2114 O HOH 41 3.123 0.166 32.823 1.00 21.95 O HETATM 2115 O HOH 42 10.252 -2.049 32.129 1.00 25.20 O HETATM 2116 O HOH 43 6.366 1.259 25.040 1.00 18.06 O HETATM 2117 O HOH 44 15.788 -0.425 21.265 1.00 22.11 O HETATM 2118 O HOH 45 5.863 15.887 44.005 1.00 19.23 O HETATM 2119 O HOH 46 14.100 17.094 13.666 1.00 20.32 O HETATM 2120 O HOH 47 3.543 5.199 25.251 1.00 20.68 O HETATM 2121 O HOH 48 12.195 25.342 34.960 1.00 19.46 O HETATM 2122 O HOH 49 10.100 23.178 14.882 1.00 23.04 O HETATM 2123 O HOH 50 21.591 -5.388 30.153 1.00 25.31 O HETATM 2124 O HOH 51 5.794 17.407 8.406 1.00 23.83 O HETATM 2125 O HOH 52 1.664 3.636 30.312 1.00 20.38 O HETATM 2126 O HOH 53 3.162 4.915 38.017 1.00 25.41 O HETATM 2127 O HOH 54 3.400 24.503 13.736 1.00 29.00 O HETATM 2128 O HOH 55 12.112 3.875 44.822 1.00 21.71 O HETATM 2129 O HOH 56 19.053 11.854 13.249 1.00 28.02 O HETATM 2130 O HOH 57 18.794 -6.178 29.649 1.00 32.99 O HETATM 2131 O HOH 58 2.878 16.302 41.089 1.00 22.90 O HETATM 2132 O HOH 59 1.610 11.385 31.952 1.00 24.17 O HETATM 2133 O HOH 60 6.868 7.762 16.586 1.00 19.66 O HETATM 2134 O HOH 61 12.729 -5.916 36.451 1.00 21.99 O HETATM 2135 O HOH 62 8.354 22.257 35.688 1.00 23.28 O HETATM 2136 O HOH 63 13.321 0.511 20.311 1.00 23.17 O HETATM 2137 O HOH 64 5.414 11.394 44.433 1.00 29.21 O HETATM 2138 O HOH 65 11.055 -2.571 23.750 1.00 23.53 O HETATM 2139 O HOH 66 9.874 25.118 20.853 1.00 24.74 O HETATM 2140 O HOH 67 2.844 20.290 9.181 1.00 21.92 O HETATM 2141 O HOH 68 3.749 13.700 12.322 1.00 24.16 O HETATM 2142 O HOH 69 3.489 7.967 19.062 1.00 21.68 O HETATM 2143 O HOH 70 10.510 5.497 43.395 1.00 40.80 O HETATM 2144 O HOH 71 20.637 20.716 22.824 1.00 26.47 O HETATM 2145 O HOH 72 8.990 17.536 4.880 1.00 30.05 O HETATM 2146 O HOH 73 0.780 26.333 20.652 1.00 38.81 O HETATM 2147 O HOH 74 4.867 -0.271 29.277 1.00 23.23 O HETATM 2148 O HOH 75 9.659 6.679 38.843 1.00 20.48 O HETATM 2149 O HOH 76 2.441 7.932 37.341 1.00 31.04 O HETATM 2150 O HOH 77 3.594 9.263 40.428 1.00 26.14 O HETATM 2151 O HOH 78 13.268 24.522 20.365 1.00 23.57 O HETATM 2152 O HOH 79 0.462 19.385 27.685 1.00 32.91 O HETATM 2153 O HOH 80 25.958 11.655 25.472 1.00 28.74 O HETATM 2154 O HOH 81 10.426 4.804 19.349 1.00 29.32 O HETATM 2155 O HOH 82 8.543 8.657 14.612 1.00 34.11 O HETATM 2156 O HOH 83 0.400 10.600 15.252 1.00 28.03 O HETATM 2157 O HOH 84 10.130 -4.371 31.322 1.00 27.84 O HETATM 2158 O HOH 85 6.615 14.875 9.217 1.00 23.27 O HETATM 2159 O HOH 86 5.242 15.125 5.320 1.00 33.30 O HETATM 2160 O HOH 87 27.167 7.427 28.840 1.00 32.27 O HETATM 2161 O HOH 88 1.185 24.631 17.691 1.00 29.22 O HETATM 2162 O HOH 89 7.532 -1.351 24.617 1.00 34.91 O HETATM 2163 O HOH 90 10.719 8.196 16.637 1.00 29.96 O HETATM 2164 O HOH 91 2.691 12.919 40.584 1.00 50.49 O HETATM 2165 O HOH 92 -1.346 21.085 18.283 1.00 36.42 O HETATM 2166 O HOH 93 -1.988 20.345 20.884 1.00 29.66 O HETATM 2167 O HOH 94 15.391 9.933 11.944 1.00 33.64 O HETATM 2168 O HOH 95 -2.297 15.684 13.572 1.00 32.99 O HETATM 2169 O HOH 96 1.893 3.500 27.065 1.00 29.75 O HETATM 2170 O HOH 97 8.190 9.345 43.260 1.00 30.61 O HETATM 2171 O HOH 98 14.136 -6.160 39.072 1.00 39.29 O HETATM 2172 O HOH 99 13.396 9.339 44.028 1.00 37.39 O HETATM 2173 O HOH 100 14.023 7.389 44.956 1.00 45.23 O HETATM 2174 O HOH 101 8.989 10.732 45.429 1.00 40.06 O HETATM 2175 O HOH 102 8.255 13.358 45.786 1.00 34.28 O HETATM 2176 O HOH 103 21.088 -2.944 24.605 1.00 29.43 O HETATM 2177 O HOH 104 17.112 22.838 21.934 1.00 29.47 O HETATM 2178 O HOH 105 17.193 23.134 19.750 1.00 46.23 O HETATM 2179 O HOH 106 17.673 23.475 17.625 1.00 50.22 O HETATM 2180 O HOH 107 18.979 25.333 19.011 1.00 35.88 O HETATM 2181 O HOH 108 19.511 21.527 17.664 1.00 40.60 O HETATM 2182 O HOH 109 20.687 16.507 15.410 1.00 58.27 O HETATM 2183 O HOH 110 5.403 26.031 32.624 1.00 31.40 O HETATM 2184 O HOH 111 5.408 22.300 26.957 1.00 38.74 O HETATM 2185 O HOH 112 1.262 12.792 11.327 1.00 31.38 O HETATM 2186 O HOH 113 6.579 18.075 5.846 1.00 37.37 O HETATM 2187 O HOH 114 0.506 9.284 30.463 1.00 28.18 O HETATM 2188 O HOH 115 24.908 8.144 22.731 1.00 31.86 O HETATM 2189 O HOH 116 3.717 21.383 25.343 1.00 40.35 O HETATM 2190 O HOH 117 -0.329 20.348 23.929 1.00 30.70 O HETATM 2191 O HOH 118 2.820 2.538 35.892 1.00 26.79 O HETATM 2192 O HOH 119 0.501 26.929 10.377 1.00 40.66 O HETATM 2193 O HOH 120 21.759 14.916 18.703 1.00 39.57 O HETATM 2194 O HOH 121 10.027 -6.189 32.978 1.00 44.30 O HETATM 2195 O HOH 122 3.272 3.723 22.824 1.00 36.19 O HETATM 2196 O HOH 123 0.798 1.472 31.892 1.00 36.48 O HETATM 2197 O HOH 124 22.638 -3.174 28.781 1.00 47.72 O HETATM 2198 O HOH 125 19.204 -3.835 23.343 1.00 40.95 O HETATM 2199 O HOH 126 4.822 11.997 14.308 1.00 32.32 O HETATM 2200 O HOH 127 8.699 12.029 11.524 1.00 39.16 O HETATM 2201 O HOH 128 5.767 24.153 28.263 1.00 56.17 O HETATM 2202 O HOH 129 0.568 7.492 32.215 1.00 43.71 O HETATM 2203 O HOH 130 24.745 14.995 20.760 1.00 35.14 O HETATM 2204 O HOH 131 6.906 1.231 20.149 1.00 38.05 O HETATM 2205 O HOH 132 17.705 -7.140 32.093 1.00 53.40 O HETATM 2206 O HOH 133 3.837 23.097 36.670 1.00 49.41 O HETATM 2207 O HOH 134 4.429 12.615 4.330 1.00 42.41 O HETATM 2208 O HOH 135 11.569 6.263 45.302 1.00 48.25 O HETATM 2209 O HOH 136 -0.705 24.271 12.742 1.00 48.59 O HETATM 2210 O HOH 137 0.590 9.277 24.193 1.00 60.95 O HETATM 2211 O HOH 138 15.897 6.247 14.824 1.00 29.54 O HETATM 2212 O HOH 139 8.903 -0.727 33.092 1.00 30.17 O HETATM 2213 O HOH 140 1.529 18.192 29.693 1.00 52.42 O HETATM 2214 O HOH 141 1.708 27.180 18.335 1.00 38.38 O HETATM 2215 O HOH 142 11.112 12.860 10.230 1.00 39.92 O HETATM 2216 O HOH 143 27.980 0.158 25.803 1.00 31.18 O HETATM 2217 O HOH 144 -1.508 10.179 17.256 1.00 49.65 O HETATM 2218 O HOH 145 2.183 22.072 30.071 1.00 29.24 O HETATM 2219 O HOH 146 2.847 15.151 38.746 1.00 44.26 O HETATM 2220 O HOH 147 9.990 -8.156 35.340 1.00 36.03 O HETATM 2221 O HOH 148 18.086 16.098 11.971 1.00 35.39 O HETATM 2222 O HOH 149 23.661 -4.500 27.430 1.00 48.57 O HETATM 2223 O HOH 150 14.708 26.097 32.299 1.00 52.89 O HETATM 2224 O HOH 151 5.006 13.187 10.240 1.00 53.15 O HETATM 2225 O HOH 152 7.277 11.048 13.539 1.00 33.35 O HETATM 2226 O HOH 153 -0.159 5.226 30.086 1.00 42.13 O HETATM 2227 O HOH 154 31.725 4.139 28.675 1.00 47.11 O HETATM 2228 O HOH 155 19.464 22.750 22.327 1.00 49.18 O HETATM 2229 O HOH 156 1.796 10.073 12.394 1.00 45.81 O HETATM 2230 O HOH 157 -1.805 12.793 19.791 1.00 39.02 O HETATM 2231 O HOH 158 18.117 -6.016 25.591 1.00 44.90 O HETATM 2232 O HOH 159 20.921 -5.440 25.649 1.00 33.24 O HETATM 2233 O HOH 160 27.368 -1.223 34.342 1.00 44.51 O HETATM 2234 O HOH 161 -0.970 16.301 25.048 1.00 36.66 O HETATM 2235 O HOH 162 1.832 27.331 16.127 1.00 43.53 O HETATM 2236 O HOH 163 -1.189 10.175 21.777 1.00 47.67 O HETATM 2237 O HOH 164 12.426 6.233 15.551 1.00 41.68 O HETATM 2238 O HOH 165 7.775 4.973 16.847 1.00 50.91 O HETATM 2239 O HOH 166 7.344 2.548 43.862 1.00 51.55 O HETATM 2240 O HOH 167 -1.261 18.617 25.872 1.00 45.82 O HETATM 2241 O HOH 168 2.802 13.020 43.344 1.00 63.44 O HETATM 2242 O HOH 169 14.948 9.433 9.346 1.00 49.01 O HETATM 2243 O HOH 170 0.670 2.712 34.942 1.00 52.50 O HETATM 2244 O HOH 171 14.209 15.809 11.014 1.00 44.77 O HETATM 2245 O HOH 172 20.494 16.682 18.685 1.00 49.25 O HETATM 2246 O HOH 173 0.843 10.175 34.227 1.00 52.83 O HETATM 2247 O HOH 174 9.098 0.683 19.224 1.00 54.13 O HETATM 2248 O HOH 175 -2.510 12.226 17.408 1.00 55.81 O HETATM 2249 O HOH 176 28.284 13.119 32.069 1.00 29.68 O HETATM 2250 O HOH 177 19.433 11.734 17.587 1.00 26.00 O HETATM 2251 O HOH 178 7.110 -1.524 32.448 1.00 33.93 O HETATM 2252 O HOH 179 -1.289 18.334 11.648 1.00 39.38 O HETATM 2253 O HOH 180 9.036 26.792 22.618 1.00 33.43 O HETATM 2254 O HOH 181 26.633 0.156 37.110 1.00 30.21 O HETATM 2255 O HOH 182 12.729 4.196 17.917 1.00 42.05 O HETATM 2256 O HOH 183 4.235 7.383 44.995 1.00 51.91 O HETATM 2257 O HOH 184 -1.274 14.290 39.727 1.00 32.03 O HETATM 2258 O HOH 185 23.178 16.095 43.855 1.00 9.53 O HETATM 2259 O HOH 186 28.088 23.611 44.346 1.00 8.15 O HETATM 2260 O HOH 187 12.538 21.165 35.410 1.00 9.24 O HETATM 2261 O HOH 188 38.427 24.990 41.372 1.00 10.76 O HETATM 2262 O HOH 189 36.400 21.749 29.883 1.00 12.47 O HETATM 2263 O HOH 190 29.534 21.959 49.477 1.00 14.06 O HETATM 2264 O HOH 191 35.004 25.411 45.206 1.00 13.24 O HETATM 2265 O HOH 192 21.008 32.258 33.563 1.00 14.50 O HETATM 2266 O HOH 193 34.708 20.112 44.597 1.00 12.60 O HETATM 2267 O HOH 194 11.067 21.668 42.501 1.00 10.71 O HETATM 2268 O HOH 195 28.812 19.010 26.208 1.00 13.12 O HETATM 2269 O HOH 196 11.110 23.158 49.234 1.00 15.10 O HETATM 2270 O HOH 197 30.700 13.609 33.087 1.00 14.30 O HETATM 2271 O HOH 198 19.589 31.380 35.832 1.00 12.15 O HETATM 2272 O HOH 199 38.182 13.410 38.334 1.00 17.17 O HETATM 2273 O HOH 200 36.691 12.557 40.558 1.00 15.06 O HETATM 2274 O HOH 201 23.161 32.834 29.375 1.00 20.15 O HETATM 2275 O HOH 202 36.875 19.280 42.888 1.00 14.71 O HETATM 2276 O HOH 203 14.942 27.085 37.888 1.00 15.22 O HETATM 2277 O HOH 204 17.729 25.958 31.798 1.00 15.22 O HETATM 2278 O HOH 205 31.316 30.070 24.891 1.00 19.78 O HETATM 2279 O HOH 206 31.199 19.223 27.522 1.00 19.60 O HETATM 2280 O HOH 207 12.813 13.507 44.589 1.00 21.12 O HETATM 2281 O HOH 208 23.023 33.535 41.436 1.00 16.41 O HETATM 2282 O HOH 209 23.676 25.142 26.366 1.00 19.86 O HETATM 2283 O HOH 210 26.432 17.395 49.709 1.00 19.34 O HETATM 2284 O HOH 211 44.240 26.146 27.311 1.00 17.79 O HETATM 2285 O HOH 212 36.947 19.447 31.167 1.00 20.23 O HETATM 2286 O HOH 213 14.408 26.797 52.505 1.00 21.84 O HETATM 2287 O HOH 214 12.250 26.816 37.444 1.00 19.89 O HETATM 2288 O HOH 215 29.840 27.869 23.844 1.00 21.20 O HETATM 2289 O HOH 216 9.864 15.571 46.154 1.00 19.78 O HETATM 2290 O HOH 217 31.436 25.506 23.607 1.00 21.98 O HETATM 2291 O HOH 218 7.753 17.372 45.496 1.00 19.00 O HETATM 2292 O HOH 219 29.240 11.479 34.150 1.00 18.14 O HETATM 2293 O HOH 220 21.450 12.888 52.201 1.00 20.30 O HETATM 2294 O HOH 221 15.409 29.914 36.599 1.00 21.16 O HETATM 2295 O HOH 222 35.744 20.783 47.217 1.00 18.33 O HETATM 2296 O HOH 223 35.525 15.157 44.841 1.00 17.48 O HETATM 2297 O HOH 224 26.386 24.982 24.575 1.00 25.64 O HETATM 2298 O HOH 225 10.729 25.931 39.423 1.00 19.11 O HETATM 2299 O HOH 226 27.360 27.437 24.724 1.00 21.09 O HETATM 2300 O HOH 227 8.645 27.846 40.314 1.00 17.50 O HETATM 2301 O HOH 228 13.346 23.115 50.916 1.00 20.90 O HETATM 2302 O HOH 229 42.237 19.980 32.347 1.00 15.95 O HETATM 2303 O HOH 230 34.988 24.524 24.032 1.00 23.22 O HETATM 2304 O HOH 231 29.419 34.370 40.134 1.00 23.41 O HETATM 2305 O HOH 232 44.252 23.368 39.109 1.00 30.08 O HETATM 2306 O HOH 233 33.165 27.209 44.377 1.00 20.52 O HETATM 2307 O HOH 234 30.578 8.845 40.010 1.00 19.98 O HETATM 2308 O HOH 235 15.915 27.503 33.975 1.00 27.67 O HETATM 2309 O HOH 236 39.521 20.123 42.943 1.00 23.38 O HETATM 2310 O HOH 237 34.678 18.690 29.172 1.00 21.19 O HETATM 2311 O HOH 238 5.448 17.384 41.637 1.00 16.92 O HETATM 2312 O HOH 239 46.747 29.520 41.693 1.00 12.08 O HETATM 2313 O HOH 240 16.272 31.456 42.600 1.00 13.39 O HETATM 2314 O HOH 241 40.660 25.943 43.743 1.00 20.23 O HETATM 2315 O HOH 242 8.833 20.937 44.092 1.00 21.64 O HETATM 2316 O HOH 243 29.749 19.386 50.415 1.00 18.55 O HETATM 2317 O HOH 244 26.063 31.421 45.234 1.00 20.77 O HETATM 2318 O HOH 245 22.209 30.459 29.209 1.00 21.37 O HETATM 2319 O HOH 246 20.474 18.625 55.947 1.00 26.89 O HETATM 2320 O HOH 247 33.209 12.457 32.914 1.00 19.79 O HETATM 2321 O HOH 248 36.291 20.407 27.485 1.00 21.32 O HETATM 2322 O HOH 249 35.934 31.313 23.962 1.00 24.59 O HETATM 2323 O HOH 250 42.585 34.876 27.125 1.00 29.81 O HETATM 2324 O HOH 251 46.570 29.375 38.635 1.00 27.42 O HETATM 2325 O HOH 252 17.195 32.757 35.525 1.00 23.42 O HETATM 2326 O HOH 253 12.500 28.398 52.423 1.00 26.43 O HETATM 2327 O HOH 254 39.029 11.404 37.111 1.00 30.06 O HETATM 2328 O HOH 255 46.736 26.487 39.129 1.00 23.58 O HETATM 2329 O HOH 256 30.041 38.951 33.346 1.00 22.77 O HETATM 2330 O HOH 257 17.915 32.240 47.232 1.00 25.11 O HETATM 2331 O HOH 258 25.826 38.520 32.461 1.00 28.89 O HETATM 2332 O HOH 259 33.409 30.674 22.971 1.00 22.80 O HETATM 2333 O HOH 260 21.590 34.571 34.740 1.00 22.32 O HETATM 2334 O HOH 261 5.043 20.119 41.959 1.00 21.71 O HETATM 2335 O HOH 262 38.578 23.831 45.787 1.00 21.86 O HETATM 2336 O HOH 263 20.070 33.117 48.494 1.00 27.03 O HETATM 2337 O HOH 264 17.363 33.059 44.585 1.00 24.17 O HETATM 2338 O HOH 265 37.829 17.005 44.183 1.00 25.38 O HETATM 2339 O HOH 266 28.443 14.686 49.497 1.00 27.51 O HETATM 2340 O HOH 267 29.983 8.148 37.715 1.00 33.99 O HETATM 2341 O HOH 268 18.900 35.201 43.431 1.00 30.43 O HETATM 2342 O HOH 269 33.149 11.302 42.384 1.00 28.05 O HETATM 2343 O HOH 270 26.924 13.765 28.531 1.00 27.09 O HETATM 2344 O HOH 271 5.535 21.576 39.342 1.00 32.16 O HETATM 2345 O HOH 272 26.301 28.510 50.985 1.00 28.25 O HETATM 2346 O HOH 273 23.958 21.159 22.646 1.00 27.88 O HETATM 2347 O HOH 274 31.805 38.235 35.141 1.00 31.23 O HETATM 2348 O HOH 275 21.271 35.651 42.062 1.00 25.72 O HETATM 2349 O HOH 276 19.988 27.713 27.909 1.00 31.41 O HETATM 2350 O HOH 277 28.151 33.328 45.776 1.00 31.60 O HETATM 2351 O HOH 278 20.568 37.354 39.912 1.00 28.25 O HETATM 2352 O HOH 279 34.713 30.125 44.288 1.00 24.39 O HETATM 2353 O HOH 280 26.760 14.313 23.182 1.00 29.52 O HETATM 2354 O HOH 281 44.292 20.143 42.491 1.00 30.46 O HETATM 2355 O HOH 282 40.289 27.883 42.763 1.00 42.51 O HETATM 2356 O HOH 283 15.675 32.488 37.781 1.00 33.88 O HETATM 2357 O HOH 284 43.584 17.710 43.008 1.00 31.14 O HETATM 2358 O HOH 285 14.888 18.542 52.438 1.00 35.48 O HETATM 2359 O HOH 286 40.468 22.309 44.349 1.00 33.36 O HETATM 2360 O HOH 287 37.210 9.794 40.582 1.00 27.70 O HETATM 2361 O HOH 288 18.243 28.980 29.671 1.00 27.79 O HETATM 2362 O HOH 289 8.856 23.971 38.116 1.00 23.72 O HETATM 2363 O HOH 290 21.885 28.707 52.535 1.00 32.77 O HETATM 2364 O HOH 291 11.661 19.157 49.860 1.00 30.99 O HETATM 2365 O HOH 292 13.192 19.906 51.542 1.00 44.23 O HETATM 2366 O HOH 293 29.991 34.557 27.249 1.00 29.01 O HETATM 2367 O HOH 294 30.669 37.167 27.479 1.00 40.08 O HETATM 2368 O HOH 295 30.206 38.727 29.207 1.00 35.74 O HETATM 2369 O HOH 296 24.352 23.796 23.606 1.00 38.00 O HETATM 2370 O HOH 297 17.082 16.762 56.437 1.00 26.95 O HETATM 2371 O HOH 298 37.929 28.935 23.697 1.00 32.18 O HETATM 2372 O HOH 299 38.348 8.763 38.916 1.00 41.80 O HETATM 2373 O HOH 300 32.981 18.074 25.756 1.00 34.69 O HETATM 2374 O HOH 301 45.753 35.158 29.486 1.00 30.29 O HETATM 2375 O HOH 302 32.790 9.677 40.752 1.00 44.74 O HETATM 2376 O HOH 303 21.235 36.501 37.859 1.00 41.47 O HETATM 2377 O HOH 304 18.873 24.115 54.752 1.00 35.88 O HETATM 2378 O HOH 305 42.196 23.686 26.647 1.00 29.46 O HETATM 2379 O HOH 306 47.427 29.902 35.116 1.00 32.20 O HETATM 2380 O HOH 307 47.316 28.546 32.800 1.00 34.77 O HETATM 2381 O HOH 308 29.384 28.904 21.309 1.00 28.45 O HETATM 2382 O HOH 309 19.448 33.183 31.589 1.00 31.17 O HETATM 2383 O HOH 310 32.638 39.093 31.296 1.00 35.91 O HETATM 2384 O HOH 311 36.410 15.112 30.841 1.00 37.84 O HETATM 2385 O HOH 312 28.729 15.269 26.439 1.00 34.02 O HETATM 2386 O HOH 313 21.739 29.252 26.954 1.00 36.48 O HETATM 2387 O HOH 314 28.679 22.272 52.763 1.00 26.86 O HETATM 2388 O HOH 315 27.752 18.463 51.474 1.00 28.78 O HETATM 2389 O HOH 316 38.302 21.995 47.275 1.00 30.47 O HETATM 2390 O HOH 317 8.722 29.796 38.643 1.00 37.24 O HETATM 2391 O HOH 318 45.218 28.312 31.369 1.00 37.17 O HETATM 2392 O HOH 319 26.796 21.109 51.155 1.00 39.18 O HETATM 2393 O HOH 320 29.435 28.464 47.764 1.00 37.88 O HETATM 2394 O HOH 321 19.240 27.399 53.648 1.00 39.87 O HETATM 2395 O HOH 322 30.592 22.051 20.329 1.00 48.29 O HETATM 2396 O HOH 323 22.847 24.615 54.864 1.00 40.71 O HETATM 2397 O HOH 324 37.109 25.942 23.124 1.00 41.42 O HETATM 2398 O HOH 325 15.469 34.255 39.088 1.00 49.70 O HETATM 2399 O HOH 326 43.573 21.992 40.663 1.00 46.90 O HETATM 2400 O HOH 327 43.314 21.827 44.981 1.00 35.69 O HETATM 2401 O HOH 328 36.465 22.250 23.277 1.00 44.41 O HETATM 2402 O HOH 329 18.723 31.071 52.339 1.00 39.93 O HETATM 2403 O HOH 330 16.526 36.448 37.625 1.00 46.15 O HETATM 2404 O HOH 331 19.547 36.268 34.024 1.00 52.20 O HETATM 2405 O HOH 332 27.952 30.208 47.755 1.00 51.14 O HETATM 2406 O HOH 333 40.550 23.620 42.264 1.00 32.57 O HETATM 2407 O HOH 334 35.679 17.761 30.906 1.00 39.52 O HETATM 2408 O HOH 335 34.822 13.064 30.965 1.00 36.51 O HETATM 2409 O HOH 336 25.814 17.236 17.291 1.00 45.32 O HETATM 2410 O HOH 337 27.466 16.002 51.470 1.00 51.64 O HETATM 2411 O HOH 338 47.886 25.166 37.456 1.00 48.50 O HETATM 2412 O HOH 339 29.036 33.140 48.160 1.00 43.51 O HETATM 2413 O HOH 340 23.592 27.173 25.383 1.00 59.30 O HETATM 2414 O HOH 341 23.207 10.987 54.639 1.00 48.76 O HETATM 2415 O HOH 342 45.911 27.355 25.553 1.00 40.90 O HETATM 2416 O HOH 343 37.466 13.235 43.333 1.00 34.38 O HETATM 2417 O HOH 344 22.878 35.321 28.162 1.00 40.96 O HETATM 2418 O HOH 345 16.684 32.212 32.930 1.00 42.22 O HETATM 2419 O HOH 346 36.035 22.917 46.454 1.00 60.46 O HETATM 2420 O HOH 347 42.565 24.020 41.447 1.00 52.04 O HETATM 2421 O HOH 348 14.825 33.041 44.299 1.00 61.37 O HETATM 2422 O HOH 349 15.593 29.768 33.972 1.00 50.29 O HETATM 2423 O HOH 350 24.217 29.623 26.590 1.00 50.65 O HETATM 2424 O HOH 351 42.073 21.882 29.378 1.00 45.54 O HETATM 2425 O HOH 352 21.888 27.656 54.694 1.00 55.04 O HETATM 2426 O HOH 353 32.377 24.599 21.115 1.00 43.96 O HETATM 2427 O HOH 354 48.147 26.790 42.024 1.00 11.27 O HETATM 2428 O HOH 355 14.539 21.082 48.086 1.00 19.08 O HETATM 2429 O HOH 356 45.827 24.555 42.192 1.00 42.34 O HETATM 2430 O HOH 357 24.348 38.618 34.373 1.00 33.42 O HETATM 2431 O HOH 358 5.549 23.217 44.903 1.00 35.01 O HETATM 2432 O HOH 359 42.184 35.084 38.897 1.00 9.84 O HETATM 2433 O HOH 360 45.768 34.926 33.345 1.00 40.08 O HETATM 2434 O HOH 361 6.932 28.680 41.459 1.00 80.29 O HETATM 2435 O HOH 362 38.115 32.725 34.554 1.00 96.84 O HETATM 2436 O HOH 363 33.291 16.326 29.320 1.00 55.84 O HETATM 2437 O HOH 364 43.120 38.146 28.183 1.00 34.48 O HETATM 2438 O HOH 365 9.233 23.259 51.104 1.00 42.37 O HETATM 2439 O HOH 366 20.698 10.052 47.849 1.00 11.47 O HETATM 2440 O HOH 367 15.387 12.883 43.990 1.00 15.56 O HETATM 2441 O HOH 368 22.036 5.224 47.129 1.00 16.33 O HETATM 2442 O HOH 369 21.771 7.395 48.570 1.00 15.28 O HETATM 2443 O HOH 370 19.488 7.541 50.434 1.00 21.06 O HETATM 2444 O HOH 371 24.112 7.800 49.927 1.00 24.30 O HETATM 2445 O HOH 372 32.945 8.008 42.899 1.00 30.73 O HETATM 2446 O HOH 373 14.239 15.808 50.405 1.00 26.14 O HETATM 2447 O HOH 374 13.581 9.157 46.179 1.00 40.14 O HETATM 2448 O HOH 375 16.368 10.562 51.337 1.00 36.42 O HETATM 2449 O HOH 376 13.240 14.085 51.533 1.00 36.26 O HETATM 2450 O HOH 377 14.093 7.570 50.991 1.00 31.29 O HETATM 2451 C ACE A 378 29.830 6.223 41.754 1.00 0.18 C HETATM 2452 O ACE A 378 28.642 5.898 41.560 1.00 -0.40 O HETATM 2453 CH3 ACE A 378 30.922 5.826 40.796 1.00 0.03 C HETATM 2454 H1 ACE A 378 31.886 6.214 41.157 1.00 0.05 H HETATM 2455 H2 ACE A 378 30.707 6.245 39.802 1.00 0.05 H HETATM 2456 H3 ACE A 378 30.971 4.729 40.730 1.00 0.05 H HETATM 2457 N ACE A 378 30.198 7.119 42.682 1.00 -0.26 N HETATM 2458 CA ACE A 378 29.271 7.564 43.728 1.00 0.15 C HETATM 2459 C ACE A 378 28.235 8.561 43.218 1.00 0.21 C HETATM 2460 O ACE A 378 27.255 8.911 43.938 1.00 -0.39 O HETATM 2461 N ACE A 378 28.380 8.991 41.965 1.00 -0.26 N HETATM 2462 CA ACE A 378 27.352 9.804 41.361 1.00 0.13 C HETATM 2463 C ACE A 378 26.035 9.050 41.316 1.00 0.20 C HETATM 2464 O ACE A 378 25.005 9.676 41.305 1.00 -0.39 O HETATM 2465 N ACE A 378 26.052 7.725 41.267 1.00 -0.26 N HETATM 2466 CA ACE A 378 24.805 6.977 41.255 1.00 0.14 C HETATM 2467 C ACE A 378 24.007 7.293 42.516 1.00 0.21 C HETATM 2468 O ACE A 378 22.790 7.508 42.466 1.00 -0.39 O HETATM 2469 N ACE A 378 24.683 7.270 43.656 1.00 -0.26 N HETATM 2470 CA ACE A 378 24.012 7.401 44.941 1.00 0.15 C HETATM 2471 C ACE A 378 23.599 8.820 45.268 1.00 0.21 C HETATM 2472 O ACE A 378 22.575 9.024 45.940 1.00 -0.39 O HETATM 2473 N ACE A 378 24.374 9.800 44.806 1.00 -0.26 N HETATM 2474 CA ACE A 378 24.229 11.164 45.298 1.00 0.13 C HETATM 2475 C ACE A 378 23.931 12.221 44.252 1.00 0.20 C HETATM 2476 O ACE A 378 23.684 13.360 44.627 1.00 -0.39 O HETATM 2477 N ACE A 378 23.922 11.888 42.964 1.00 -0.26 N HETATM 2478 CA ACE A 378 23.519 12.883 41.961 1.00 0.15 C HETATM 2479 C ACE A 378 22.008 13.085 41.919 1.00 0.21 C HETATM 2480 O ACE A 378 21.531 14.061 41.352 1.00 -0.39 O HETATM 2481 N ACE A 378 21.260 12.199 42.565 1.00 -0.26 N HETATM 2482 CA ACE A 378 19.855 12.428 42.893 1.00 0.13 C HETATM 2483 C ACE A 378 19.681 12.078 44.366 1.00 0.20 C HETATM 2484 O ACE A 378 20.421 11.262 44.905 1.00 -0.39 O HETATM 2485 N ACE A 378 18.682 12.681 45.018 1.00 -0.26 N HETATM 2486 CA ACE A 378 18.298 12.260 46.353 1.00 0.13 C HETATM 2487 C ACE A 378 17.447 10.996 46.286 1.00 0.20 C HETATM 2488 O ACE A 378 16.404 10.947 45.651 1.00 -0.39 O HETATM 2489 N ACE A 378 17.926 9.967 46.952 1.00 -0.26 N HETATM 2490 CA ACE A 378 17.242 8.681 47.006 1.00 0.13 C HETATM 2491 C ACE A 378 16.551 8.506 48.357 1.00 0.20 C HETATM 2492 O ACE A 378 15.344 8.230 48.420 1.00 -0.39 O HETATM 2493 N ACE A 378 17.282 8.718 49.434 1.00 -0.30 N HETATM 2494 H81 ACE A 378 16.876 8.616 50.342 1.00 0.18 H HETATM 2495 H82 ACE A 378 18.243 8.980 49.343 1.00 0.18 H HETATM 2496 CB ACE A 378 18.234 7.550 46.709 1.00 -0.01 C HETATM 2497 CG ACE A 378 18.767 7.615 45.290 1.00 -0.02 C HETATM 2498 CD ACE A 378 19.653 6.421 44.928 1.00 0.06 C HETATM 2499 NE ACE A 378 20.271 6.570 43.610 1.00 -0.27 N HETATM 2500 CZ ACE A 378 19.778 6.117 42.465 1.00 0.29 C HETATM 2501 NH1 ACE A 378 18.647 5.435 42.447 1.00 -0.28 N HETATM 2502 H77 ACE A 378 18.270 5.086 41.554 1.00 0.26 H HETATM 2503 H78 ACE A 378 18.142 5.252 43.326 1.00 0.26 H HETATM 2504 NH2 ACE A 378 20.423 6.337 41.330 1.00 -0.28 N HETATM 2505 H79 ACE A 378 21.306 6.868 41.334 1.00 0.26 H HETATM 2506 H80 ACE A 378 20.042 5.977 40.443 1.00 0.26 H HETATM 2507 H76 ACE A 378 21.169 7.072 43.568 1.00 0.26 H HETATM 2508 H74 ACE A 378 19.037 5.510 44.929 1.00 0.07 H HETATM 2509 H75 ACE A 378 20.447 6.328 45.683 1.00 0.07 H HETATM 2510 H72 ACE A 378 19.358 8.536 45.180 1.00 0.03 H HETATM 2511 H73 ACE A 378 17.914 7.641 44.596 1.00 0.03 H HETATM 2512 H70 ACE A 378 17.725 6.585 46.853 1.00 0.03 H HETATM 2513 H71 ACE A 378 19.079 7.627 47.409 1.00 0.03 H HETATM 2514 H69 ACE A 378 16.467 8.667 46.225 1.00 0.08 H HETATM 2515 H68 ACE A 378 18.793 10.071 47.440 1.00 0.19 H HETATM 2516 CB ACE A 378 17.518 13.333 47.111 1.00 -0.01 C HETATM 2517 CG ACE A 378 17.147 12.871 48.512 1.00 -0.02 C HETATM 2518 CD ACE A 378 16.466 13.948 49.322 1.00 0.06 C HETATM 2519 NE ACE A 378 15.179 14.255 48.729 1.00 -0.27 N HETATM 2520 CZ ACE A 378 14.138 13.428 48.743 1.00 0.29 C HETATM 2521 NH1 ACE A 378 14.227 12.249 49.348 1.00 -0.28 N HETATM 2522 H64 ACE A 378 13.418 11.612 49.356 1.00 0.26 H HETATM 2523 H65 ACE A 378 15.105 11.972 49.809 1.00 0.26 H HETATM 2524 NH2 ACE A 378 13.002 13.785 48.161 1.00 -0.28 N HETATM 2525 H66 ACE A 378 12.929 14.698 47.691 1.00 0.26 H HETATM 2526 H67 ACE A 378 12.192 13.149 48.179 1.00 0.26 H HETATM 2527 H63 ACE A 378 15.064 15.169 48.269 1.00 0.26 H HETATM 2528 H61 ACE A 378 17.092 14.853 49.330 1.00 0.07 H HETATM 2529 H62 ACE A 378 16.320 13.595 50.353 1.00 0.07 H HETATM 2530 H59 ACE A 378 18.065 12.565 49.036 1.00 0.03 H HETATM 2531 H60 ACE A 378 16.467 12.010 48.430 1.00 0.03 H HETATM 2532 H57 ACE A 378 16.597 13.564 46.556 1.00 0.03 H HETATM 2533 H58 ACE A 378 18.138 14.239 47.186 1.00 0.03 H HETATM 2534 H56 ACE A 378 19.217 12.039 46.916 1.00 0.08 H HETATM 2535 H55 ACE A 378 18.192 13.434 44.579 1.00 0.19 H HETATM 2536 CB ACE A 378 18.855 11.608 42.026 1.00 -0.00 C HETATM 2537 CG1 ACE A 378 18.959 10.100 42.313 1.00 -0.05 C HETATM 2538 CD1 ACE A 378 17.819 9.295 41.732 1.00 -0.06 C HETATM 2539 H52 ACE A 378 17.960 8.232 41.976 1.00 0.02 H HETATM 2540 H53 ACE A 378 17.800 9.421 40.639 1.00 0.02 H HETATM 2541 H54 ACE A 378 16.868 9.646 42.158 1.00 0.02 H HETATM 2542 H47 ACE A 378 18.969 9.953 43.403 1.00 0.03 H HETATM 2543 H48 ACE A 378 19.901 9.728 41.884 1.00 0.03 H HETATM 2544 CG2 ACE A 378 19.056 11.914 40.548 1.00 -0.06 C HETATM 2545 H49 ACE A 378 18.975 12.999 40.384 1.00 0.02 H HETATM 2546 H50 ACE A 378 18.286 11.395 39.958 1.00 0.02 H HETATM 2547 H51 ACE A 378 20.052 11.569 40.234 1.00 0.02 H HETATM 2548 H46 ACE A 378 17.838 11.926 42.298 1.00 0.03 H HETATM 2549 H45 ACE A 378 19.633 13.495 42.745 1.00 0.08 H HETATM 2550 H44 ACE A 378 21.678 11.333 42.840 1.00 0.19 H HETATM 2551 CB ACE A 378 24.102 12.625 40.558 1.00 0.08 C HETATM 2552 OG ACE A 378 23.562 11.475 39.926 1.00 -0.39 O HETATM 2553 H43 ACE A 378 23.744 10.708 40.457 1.00 0.21 H HETATM 2554 H41 ACE A 378 25.190 12.493 40.651 1.00 0.06 H HETATM 2555 H42 ACE A 378 23.892 13.501 39.927 1.00 0.06 H HETATM 2556 H40 ACE A 378 23.948 13.839 42.296 1.00 0.08 H HETATM 2557 H39 ACE A 378 24.188 10.967 42.681 1.00 0.19 H HETATM 2558 CB ACE A 378 25.472 11.556 46.082 1.00 -0.00 C HETATM 2559 CG ACE A 378 25.671 10.725 47.329 1.00 -0.00 C HETATM 2560 SD ACE A 378 24.363 11.037 48.530 1.00 -0.16 S HETATM 2561 CE ACE A 378 24.852 12.666 49.088 1.00 -0.02 C HETATM 2562 H36 ACE A 378 24.141 13.022 49.848 1.00 0.03 H HETATM 2563 H37 ACE A 378 24.855 13.360 48.235 1.00 0.03 H HETATM 2564 H38 ACE A 378 25.861 12.617 49.524 1.00 0.03 H HETATM 2565 H34 ACE A 378 26.641 10.980 47.780 1.00 0.04 H HETATM 2566 H35 ACE A 378 25.662 9.659 47.056 1.00 0.04 H HETATM 2567 H32 ACE A 378 25.383 12.612 46.376 1.00 0.03 H HETATM 2568 H33 ACE A 378 26.351 11.429 45.432 1.00 0.03 H HETATM 2569 H31 ACE A 378 23.377 11.160 45.993 1.00 0.08 H HETATM 2570 H30 ACE A 378 25.065 9.597 44.112 1.00 0.19 H HETATM 2571 CB ACE A 378 24.913 6.848 46.044 1.00 0.08 C HETATM 2572 CG ACE A 378 25.241 5.405 45.831 1.00 0.18 C HETATM 2573 OD1 ACE A 378 24.352 4.573 45.682 1.00 -0.40 O HETATM 2574 ND2 ACE A 378 26.537 5.081 45.785 1.00 -0.30 N HETATM 2575 H28 ACE A 378 26.810 4.129 45.645 1.00 0.18 H HETATM 2576 H29 ACE A 378 27.234 5.790 45.891 1.00 0.18 H HETATM 2577 H26 ACE A 378 24.398 6.956 47.010 1.00 0.06 H HETATM 2578 H27 ACE A 378 25.849 7.426 46.061 1.00 0.06 H HETATM 2579 H25 ACE A 378 23.098 6.791 44.903 1.00 0.08 H HETATM 2580 H24 ACE A 378 25.677 7.160 43.633 1.00 0.19 H HETATM 2581 CB ACE A 378 25.082 5.472 41.202 1.00 0.02 C HETATM 2582 CG ACE A 378 23.847 4.582 41.262 1.00 -0.05 C HETATM 2583 CD1 ACE A 378 23.357 3.995 40.119 1.00 -0.07 C HETATM 2584 CE1 ACE A 378 22.251 3.144 40.171 1.00 -0.04 C HETATM 2585 CZ ACE A 378 21.621 2.918 41.380 1.00 0.08 C HETATM 2586 CE2 ACE A 378 22.093 3.508 42.521 1.00 -0.04 C HETATM 2587 CD2 ACE A 378 23.197 4.341 42.457 1.00 -0.07 C HETATM 2588 H20 ACE A 378 23.559 4.814 43.363 1.00 0.05 H HETATM 2589 H22 ACE A 378 21.605 3.324 43.471 1.00 0.05 H HETATM 2590 OH ACE A 378 20.517 2.084 41.478 1.00 -0.34 O HETATM 2591 H23 ACE A 378 20.299 1.746 40.617 1.00 0.25 H HETATM 2592 H21 ACE A 378 21.889 2.664 39.269 1.00 0.05 H HETATM 2593 H19 ACE A 378 23.835 4.195 39.167 1.00 0.05 H HETATM 2594 H17 ACE A 378 25.728 5.215 42.054 1.00 0.05 H HETATM 2595 H18 ACE A 378 25.611 5.256 40.262 1.00 0.05 H HETATM 2596 H16 ACE A 378 24.220 7.268 40.370 1.00 0.08 H HETATM 2597 H15 ACE A 378 26.925 7.239 41.238 1.00 0.19 H HETATM 2598 CB ACE A 378 27.736 10.283 39.960 1.00 -0.02 C HETATM 2599 H12 ACE A 378 26.922 10.896 39.546 1.00 0.03 H HETATM 2600 H13 ACE A 378 27.907 9.413 39.309 1.00 0.03 H HETATM 2601 H14 ACE A 378 28.655 10.885 40.017 1.00 0.03 H HETATM 2602 H11 ACE A 378 27.215 10.694 41.993 1.00 0.08 H HETATM 2603 H10 ACE A 378 29.199 8.751 41.444 1.00 0.19 H HETATM 2604 CB ACE A 378 30.006 8.154 44.929 1.00 0.08 C HETATM 2605 CG ACE A 378 29.130 8.225 46.171 1.00 0.18 C HETATM 2606 OD1 ACE A 378 28.322 7.336 46.437 1.00 -0.40 O HETATM 2607 ND2 ACE A 378 29.302 9.277 46.946 1.00 -0.30 N HETATM 2608 H8 ACE A 378 28.756 9.380 47.777 1.00 0.18 H HETATM 2609 H9 ACE A 378 29.979 9.972 46.703 1.00 0.18 H HETATM 2610 H6 ACE A 378 30.339 9.171 44.674 1.00 0.06 H HETATM 2611 H7 ACE A 378 30.881 7.526 45.150 1.00 0.06 H HETATM 2612 H5 ACE A 378 28.727 6.673 44.076 1.00 0.08 H HETATM 2613 H4 ACE A 378 31.125 7.492 42.660 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 187 186 895 CONECT 895 187 894 CONECT 1056 1057 1064 1065 1066 CONECT 1064 1056 CONECT 1065 1056 CONECT 1066 1056 CONECT 1254 1253 1888 CONECT 1888 1254 1887 CONECT 2451 2452 2453 2457 CONECT 2452 2451 CONECT 2453 2451 2454 2455 2456 CONECT 2454 2453 CONECT 2455 2453 CONECT 2456 2453 CONECT 2457 2451 2458 2613 CONECT 2458 2457 2459 2604 2612 CONECT 2459 2458 2460 2461 CONECT 2460 2459 CONECT 2461 2459 2462 2603 CONECT 2462 2461 2463 2598 2602 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2597 CONECT 2466 2465 2467 2581 2596 CONECT 2467 2466 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2580 CONECT 2470 2469 2471 2571 2579 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2570 CONECT 2474 2473 2475 2558 2569 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 2478 2557 CONECT 2478 2477 2479 2551 2556 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2550 CONECT 2482 2481 2483 2536 2549 CONECT 2483 2482 2484 2485 CONECT 2484 2483 CONECT 2485 2483 2486 2535 CONECT 2486 2485 2487 2516 2534 CONECT 2487 2486 2488 2489 CONECT 2488 2487 CONECT 2489 2487 2490 2515 CONECT 2490 2489 2491 2496 2514 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 2494 2495 CONECT 2494 2493 CONECT 2495 2493 CONECT 2496 2490 2497 2512 2513 CONECT 2497 2496 2498 2510 2511 CONECT 2498 2497 2499 2508 2509 CONECT 2499 2498 2500 2507 CONECT 2500 2499 2501 2504 CONECT 2501 2500 2502 2503 CONECT 2502 2501 CONECT 2503 2501 CONECT 2504 2500 2505 2506 CONECT 2505 2504 CONECT 2506 2504 CONECT 2507 2499 CONECT 2508 2498 CONECT 2509 2498 CONECT 2510 2497 CONECT 2511 2497 CONECT 2512 2496 CONECT 2513 2496 CONECT 2514 2490 CONECT 2515 2489 CONECT 2516 2486 2517 2532 2533 CONECT 2517 2516 2518 2530 2531 CONECT 2518 2517 2519 2528 2529 CONECT 2519 2518 2520 2527 CONECT 2520 2519 2521 2524 CONECT 2521 2520 2522 2523 CONECT 2522 2521 CONECT 2523 2521 CONECT 2524 2520 2525 2526 CONECT 2525 2524 CONECT 2526 2524 CONECT 2527 2519 CONECT 2528 2518 CONECT 2529 2518 CONECT 2530 2517 CONECT 2531 2517 CONECT 2532 2516 CONECT 2533 2516 CONECT 2534 2486 CONECT 2535 2485 CONECT 2536 2482 2537 2544 2548 CONECT 2537 2536 2538 2542 2543 CONECT 2538 2537 2539 2540 2541 CONECT 2539 2538 CONECT 2540 2538 CONECT 2541 2538 CONECT 2542 2537 CONECT 2543 2537 CONECT 2544 2536 2545 2546 2547 CONECT 2545 2544 CONECT 2546 2544 CONECT 2547 2544 CONECT 2548 2536 CONECT 2549 2482 CONECT 2550 2481 CONECT 2551 2478 2552 2554 2555 CONECT 2552 2551 2553 CONECT 2553 2552 CONECT 2554 2551 CONECT 2555 2551 CONECT 2556 2478 CONECT 2557 2477 CONECT 2558 2474 2559 2567 2568 CONECT 2559 2558 2560 2565 2566 CONECT 2560 2559 2561 CONECT 2561 2560 2562 2563 2564 CONECT 2562 2561 CONECT 2563 2561 CONECT 2564 2561 CONECT 2565 2559 CONECT 2566 2559 CONECT 2567 2558 CONECT 2568 2558 CONECT 2569 2474 CONECT 2570 2473 CONECT 2571 2470 2572 2577 2578 CONECT 2572 2571 2573 2574 CONECT 2573 2572 CONECT 2574 2572 2575 2576 CONECT 2575 2574 CONECT 2576 2574 CONECT 2577 2571 CONECT 2578 2571 CONECT 2579 2470 CONECT 2580 2469 CONECT 2581 2466 2582 2594 2595 CONECT 2582 2581 2583 2587 CONECT 2583 2582 2584 2593 CONECT 2584 2583 2585 2592 CONECT 2585 2584 2586 2590 CONECT 2586 2585 2587 2589 CONECT 2587 2582 2586 2588 CONECT 2588 2587 CONECT 2589 2586 CONECT 2590 2585 2591 CONECT 2591 2590 CONECT 2592 2584 CONECT 2593 2583 CONECT 2594 2581 CONECT 2595 2581 CONECT 2596 2466 CONECT 2597 2465 CONECT 2598 2462 2599 2600 2601 CONECT 2599 2598 CONECT 2600 2598 CONECT 2601 2598 CONECT 2602 2462 CONECT 2603 2461 CONECT 2604 2458 2605 2610 2611 CONECT 2605 2604 2606 2607 CONECT 2606 2605 CONECT 2607 2605 2608 2609 CONECT 2608 2607 CONECT 2609 2607 CONECT 2610 2604 CONECT 2611 2604 CONECT 2612 2458 CONECT 2613 2457 MASTER 0 0 0 0 0 0 0 0 2611 2 175 18 END
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Related entries of code: 4qyo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4qxt
RCSB PDB
PDBbind
19aa, >4QXT_3|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4qyo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
anti-MSP2 Fv fragment (mAb6D8)
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.21(Å)
Affinity (Kd/Ki/IC50)
Kd=6nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Sci Rep Vol. 5: pp. 10103-10103
Ligand Properties
Formula
C
4
8
H
8
2
N
1
8
O
1
4
S
Molecular Weight
1167.340
Exact Mass
1166.600
No. of atoms
163
No. of bonds
163
Polar Surface Area
588.95
LOGP Value
-2.22 (
Computed with XLOGP3
)
-2.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)[C@H](CC)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)N)C)Cc1ccc(cc1)O)CC(=O)N
InChI String
InChI=1S/C48H80N18O14S/c1-6-23(2)37(46(80)62-29(10-8-17-57-48(54)55)40(74)60-28(38(51)72)9-7-16-56-47(52)53)66-45(79)34(22-67)65-41(75)30(15-18-81-5)61-44(78)33(21-36(50)71)64-43(77)31(19-26-11-13-27(69)14-12-26)63-39(73)24(3)58-42(76)32(20-35(49)70)59-25(4)68/h11-14,23-24,28-34,37,67,69H,6-10,15-22H2,1-5H3,(H2,49,70)(H2,50,71)(H2,51,72)(H,58,76)(H,59,68)(H,60,74)(H,61,78)(H,62,80)(H,63,73)(H,64,77)(H,65,75)(H,66,79)(H4,52,53,56)(H4,54,55,57)/p+2/t23-,24-,28-,29-,30-,31-,32-,33-,34-,37-/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):
Q03643
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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