Browse entries in the PDBbind-CN Database
HEADER 5D3X_COMPLEX COMPND 5D3X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 64 GLY GLU PHE GLU LYS LEU GLU ALA LEU GLU GLN LEU GLN SEQRES 2 A 64 SER HIS ILE GLU GLY TRP GLU GLY SER ASN LEU THR ASP SEQRES 3 A 64 ILE CYS THR GLN LEU LEU LEU GLN GLY THR LEU LEU LYS SEQRES 4 A 64 ILE SER ALA GLY ASN ILE GLN GLU ARG ALA PHE PHE LEU SEQRES 5 A 64 PHE ASP ASN LEU LEU VAL TYR CYS LYS ARG LYS SER SEQRES 1 A 87 ILE ASN GLY SER LEU TYR ILE PHE ARG GLY ARG ILE ASN SEQRES 2 A 87 THR GLU VAL MET GLU VAL GLU ASN VAL GLU ASP GLY THR SEQRES 3 A 87 ALA ASP TYR HIS SER ASN GLY TYR THR VAL THR ASN GLY SEQRES 4 A 87 TRP LYS ILE HIS ASN THR ALA LYS ASN LYS TRP PHE VAL SEQRES 5 A 87 CYS MET ALA LYS THR ALA GLU GLU LYS GLN LYS TRP LEU SEQRES 6 A 87 ASP ALA ILE ILE ARG GLU ARG GLU GLN ARG GLU SER LEU SEQRES 7 A 87 LYS LEU GLY MET GLU ARG ASP ALA TYR HET UNN A 275 36 ATOM 1 N GLY A -2 17.042 -12.167 -25.405 1.00 33.52 N ATOM 2 CA GLY A -2 18.328 -12.040 -24.744 1.00 29.00 C ATOM 3 C GLY A -2 18.388 -10.790 -23.885 1.00 40.75 C ATOM 4 O GLY A -2 17.351 -10.211 -23.562 1.00 35.91 O ATOM 5 HN3 GLY A -2 16.883 -11.339 -26.014 1.00 0.00 H ATOM 6 HN2 GLY A -2 16.290 -12.221 -24.689 1.00 0.00 H ATOM 7 HN1 GLY A -2 17.035 -13.031 -25.984 1.00 0.00 H ATOM 8 N GLU A -1 19.600 -10.375 -23.524 1.00 30.54 N ATOM 9 CA GLU A -1 19.790 -9.279 -22.580 1.00 28.35 C ATOM 10 C GLU A -1 19.141 -8.003 -23.120 1.00 30.58 C ATOM 11 O GLU A -1 18.530 -7.239 -22.374 1.00 24.15 O ATOM 12 CB GLU A -1 21.287 -9.024 -22.296 1.00 44.96 C ATOM 13 CG GLU A -1 21.897 -7.867 -23.125 1.00 48.78 C ATOM 14 CD GLU A -1 23.316 -7.486 -22.744 1.00 61.47 C ATOM 15 OE1 GLU A -1 23.499 -6.439 -22.077 1.00 56.04 O ATOM 16 OE2 GLU A -1 24.249 -8.224 -23.126 1.00 61.72 O ATOM 17 H GLU A -1 20.436 -10.846 -23.926 1.00 0.00 H ATOM 18 N PHE A 0 19.264 -7.759 -24.419 1.00 23.62 N ATOM 19 CA PHE A 0 18.854 -6.476 -24.962 1.00 23.58 C ATOM 20 C PHE A 0 17.344 -6.302 -24.943 1.00 23.20 C ATOM 21 O PHE A 0 16.833 -5.211 -24.666 1.00 26.09 O ATOM 22 CB PHE A 0 19.355 -6.286 -26.390 1.00 27.74 C ATOM 23 CG PHE A 0 19.168 -4.893 -26.883 1.00 23.07 C ATOM 24 CD1 PHE A 0 20.123 -3.929 -26.622 1.00 22.02 C ATOM 25 CD2 PHE A 0 18.013 -4.525 -27.553 1.00 26.54 C ATOM 26 CE1 PHE A 0 19.937 -2.634 -27.040 1.00 26.98 C ATOM 27 CE2 PHE A 0 17.826 -3.221 -27.976 1.00 16.37 C ATOM 28 CZ PHE A 0 18.790 -2.284 -27.725 1.00 25.48 C ATOM 29 H PHE A 0 19.655 -8.488 -25.049 1.00 0.00 H ATOM 30 N GLU A 245 16.637 -7.375 -25.274 1.00 22.48 N ATOM 31 CA GLU A 245 15.180 -7.399 -25.199 1.00 23.93 C ATOM 32 C GLU A 245 14.740 -7.136 -23.760 1.00 20.29 C ATOM 33 O GLU A 245 13.758 -6.413 -23.515 1.00 22.98 O ATOM 34 CB GLU A 245 14.636 -8.714 -25.745 1.00 37.35 C ATOM 35 CG GLU A 245 14.708 -8.734 -27.263 1.00 48.48 C ATOM 36 CD GLU A 245 14.183 -10.005 -27.890 1.00 68.76 C ATOM 37 OE1 GLU A 245 13.719 -10.895 -27.148 1.00 78.67 O ATOM 38 OE2 GLU A 245 14.248 -10.110 -29.135 1.00 71.10 O ATOM 39 H GLU A 245 17.138 -8.227 -25.598 1.00 0.00 H ATOM 40 N LYS A 246 15.414 -7.779 -22.807 1.00 18.17 N ATOM 41 CA LYS A 246 15.107 -7.500 -21.409 1.00 17.57 C ATOM 42 C LYS A 246 15.349 -6.029 -21.050 1.00 17.16 C ATOM 43 O LYS A 246 14.547 -5.445 -20.332 1.00 14.32 O ATOM 44 CB LYS A 246 15.889 -8.391 -20.441 1.00 17.96 C ATOM 45 CG LYS A 246 15.370 -9.822 -20.332 1.00 23.51 C ATOM 46 CD LYS A 246 16.083 -10.538 -19.181 1.00 31.81 C ATOM 47 CE LYS A 246 15.604 -11.970 -19.009 1.00 48.07 C ATOM 48 NZ LYS A 246 16.203 -12.555 -17.772 1.00 47.29 N ATOM 49 HZ1 LYS A 246 17.240 -12.545 -17.852 1.00 0.00 H ATOM 50 HZ2 LYS A 246 15.912 -11.992 -16.948 1.00 0.00 H ATOM 51 HZ3 LYS A 246 15.873 -13.535 -17.658 1.00 0.00 H ATOM 52 H LYS A 246 16.149 -8.471 -23.057 1.00 0.00 H ATOM 53 N LEU A 247 16.411 -5.416 -21.565 1.00 12.57 N ATOM 54 CA LEU A 247 16.610 -3.982 -21.291 1.00 13.56 C ATOM 55 C LEU A 247 15.467 -3.125 -21.830 1.00 12.05 C ATOM 56 O LEU A 247 15.078 -2.122 -21.194 1.00 11.78 O ATOM 57 CB LEU A 247 17.941 -3.475 -21.841 1.00 11.03 C ATOM 58 CG LEU A 247 19.126 -4.110 -21.079 1.00 17.18 C ATOM 59 CD1 LEU A 247 20.471 -3.710 -21.687 1.00 16.32 C ATOM 60 CD2 LEU A 247 19.084 -3.815 -19.570 1.00 22.97 C ATOM 61 H LEU A 247 17.090 -5.941 -22.152 1.00 0.00 H ATOM 62 N GLU A 248 14.989 -3.449 -23.039 1.00 12.72 N ATOM 63 CA GLU A 248 13.882 -2.684 -23.586 1.00 13.54 C ATOM 64 C GLU A 248 12.645 -2.878 -22.726 1.00 11.18 C ATOM 65 O GLU A 248 11.907 -1.915 -22.480 1.00 12.81 O ATOM 66 CB GLU A 248 13.578 -3.067 -25.031 1.00 18.14 C ATOM 67 CG GLU A 248 12.422 -2.271 -25.618 1.00 17.30 C ATOM 68 CD GLU A 248 12.663 -0.767 -25.632 1.00 28.59 C ATOM 69 OE1 GLU A 248 13.515 -0.314 -26.421 1.00 23.88 O ATOM 70 OE2 GLU A 248 11.998 -0.034 -24.860 1.00 20.41 O ATOM 71 H GLU A 248 15.404 -4.236 -23.577 1.00 0.00 H ATOM 72 N ALA A 249 12.447 -4.104 -22.241 1.00 13.40 N ATOM 73 CA ALA A 249 11.343 -4.342 -21.309 1.00 15.32 C ATOM 74 C ALA A 249 11.499 -3.541 -20.020 1.00 10.17 C ATOM 75 O ALA A 249 10.504 -3.113 -19.460 1.00 9.98 O ATOM 76 CB ALA A 249 11.211 -5.857 -20.985 1.00 11.76 C ATOM 77 H ALA A 249 13.072 -4.886 -22.523 1.00 0.00 H ATOM 78 N LEU A 250 12.714 -3.394 -19.504 1.00 9.71 N ATOM 79 CA LEU A 250 12.920 -2.585 -18.299 1.00 9.88 C ATOM 80 C LEU A 250 12.561 -1.139 -18.572 1.00 9.84 C ATOM 81 O LEU A 250 11.947 -0.466 -17.723 1.00 8.78 O ATOM 82 CB LEU A 250 14.368 -2.614 -17.790 1.00 11.63 C ATOM 83 CG LEU A 250 14.961 -3.761 -17.012 1.00 16.87 C ATOM 84 CD1 LEU A 250 16.405 -3.384 -16.699 1.00 13.13 C ATOM 85 CD2 LEU A 250 14.131 -3.945 -15.706 1.00 14.46 C ATOM 86 H LEU A 250 13.527 -3.857 -19.959 1.00 0.00 H ATOM 87 N GLU A 251 13.000 -0.623 -19.727 1.00 9.60 N ATOM 88 CA GLU A 251 12.666 0.776 -20.019 1.00 8.25 C ATOM 89 C GLU A 251 11.157 0.967 -20.108 1.00 7.56 C ATOM 90 O GLU A 251 10.587 1.943 -19.540 1.00 11.99 O ATOM 91 CB GLU A 251 13.307 1.256 -21.333 1.00 10.65 C ATOM 92 CG GLU A 251 12.847 2.662 -21.709 1.00 12.10 C ATOM 93 CD GLU A 251 13.553 3.210 -22.940 1.00 32.03 C ATOM 94 OE1 GLU A 251 14.302 2.454 -23.585 1.00 23.54 O ATOM 95 OE2 GLU A 251 13.359 4.400 -23.257 1.00 24.22 O ATOM 96 H GLU A 251 13.558 -1.194 -20.394 1.00 0.00 H ATOM 97 N GLN A 252 10.491 -0.003 -20.752 1.00 10.33 N ATOM 98 CA GLN A 252 9.033 0.065 -20.851 1.00 9.42 C ATOM 99 C GLN A 252 8.379 -0.036 -19.479 1.00 8.30 C ATOM 100 O GLN A 252 7.441 0.682 -19.193 1.00 9.90 O ATOM 101 CB GLN A 252 8.486 -1.024 -21.768 1.00 11.41 C ATOM 102 CG GLN A 252 8.731 -0.732 -23.240 1.00 14.90 C ATOM 103 CD GLN A 252 8.278 0.658 -23.629 1.00 13.56 C ATOM 104 OE1 GLN A 252 7.139 1.060 -23.357 1.00 16.92 O ATOM 105 NE2 GLN A 252 9.175 1.416 -24.259 1.00 16.77 N ATOM 106 HE22 GLN A 252 10.121 1.037 -24.468 1.00 0.00 H ATOM 107 HE21 GLN A 252 8.929 2.386 -24.542 1.00 0.00 H ATOM 108 H GLN A 252 11.008 -0.798 -21.178 1.00 0.00 H ATOM 109 N LEU A 253 8.884 -0.927 -18.625 1.00 7.57 N ATOM 110 CA LEU A 253 8.311 -1.081 -17.277 1.00 9.77 C ATOM 111 C LEU A 253 8.441 0.249 -16.534 1.00 11.15 C ATOM 112 O LEU A 253 7.478 0.730 -15.932 1.00 10.46 O ATOM 113 CB LEU A 253 8.977 -2.241 -16.490 1.00 7.42 C ATOM 114 CG LEU A 253 8.395 -2.571 -15.101 1.00 15.29 C ATOM 115 CD1 LEU A 253 8.712 -4.020 -14.803 1.00 19.21 C ATOM 116 CD2 LEU A 253 8.918 -1.745 -13.969 1.00 16.00 C ATOM 117 H LEU A 253 9.689 -1.518 -18.913 1.00 0.00 H ATOM 118 N GLN A 254 9.628 0.848 -16.568 1.00 8.45 N ATOM 119 CA GLN A 254 9.842 2.104 -15.865 1.00 9.15 C ATOM 120 C GLN A 254 8.898 3.176 -16.404 1.00 5.87 C ATOM 121 O GLN A 254 8.458 4.075 -15.662 1.00 8.21 O ATOM 122 CB GLN A 254 11.300 2.550 -15.974 1.00 7.93 C ATOM 123 CG GLN A 254 11.625 3.667 -14.982 1.00 6.89 C ATOM 124 CD GLN A 254 13.057 4.174 -15.094 1.00 10.63 C ATOM 125 OE1 GLN A 254 14.001 3.406 -15.253 1.00 10.69 O ATOM 126 NE2 GLN A 254 13.204 5.492 -15.106 1.00 11.88 N ATOM 127 HE22 GLN A 254 12.378 6.109 -14.967 1.00 0.00 H ATOM 128 HE21 GLN A 254 14.145 5.909 -15.254 1.00 0.00 H ATOM 129 H GLN A 254 10.409 0.415 -17.101 1.00 0.00 H ATOM 130 N SER A 255 8.579 3.099 -17.697 1.00 11.21 N ATOM 131 CA SER A 255 7.676 4.127 -18.249 1.00 10.62 C ATOM 132 C SER A 255 6.270 4.077 -17.617 1.00 11.04 C ATOM 133 O SER A 255 5.486 5.039 -17.775 1.00 10.30 O ATOM 134 CB SER A 255 7.570 4.001 -19.768 1.00 12.92 C ATOM 135 OG SER A 255 6.677 2.967 -20.146 1.00 13.89 O ATOM 136 HG SER A 255 7.000 2.105 -19.783 1.00 0.00 H ATOM 137 H SER A 255 8.955 2.338 -18.297 1.00 0.00 H ATOM 138 N HIS A 256 5.929 2.988 -16.901 1.00 9.66 N ATOM 139 CA HIS A 256 4.637 2.926 -16.242 1.00 6.79 C ATOM 140 C HIS A 256 4.691 3.422 -14.815 1.00 9.81 C ATOM 141 O HIS A 256 3.665 3.451 -14.134 1.00 11.24 O ATOM 142 CB HIS A 256 4.125 1.474 -16.222 1.00 9.80 C ATOM 143 CG HIS A 256 3.988 0.883 -17.572 1.00 13.38 C ATOM 144 ND1 HIS A 256 3.151 1.422 -18.541 1.00 17.55 N ATOM 145 CD2 HIS A 256 4.606 -0.168 -18.160 1.00 13.09 C ATOM 146 CE1 HIS A 256 3.260 0.717 -19.646 1.00 18.72 C ATOM 147 NE2 HIS A 256 4.137 -0.260 -19.442 1.00 14.56 N ATOM 148 H HIS A 256 6.592 2.191 -16.820 1.00 0.00 H ATOM 149 N ILE A 257 5.869 3.880 -14.382 1.00 7.76 N ATOM 150 CA ILE A 257 6.045 4.398 -13.019 1.00 6.20 C ATOM 151 C ILE A 257 6.228 5.919 -13.127 1.00 11.43 C ATOM 152 O ILE A 257 7.230 6.393 -13.650 1.00 14.10 O ATOM 153 CB ILE A 257 7.269 3.778 -12.319 1.00 7.61 C ATOM 154 CG1 ILE A 257 7.092 2.256 -12.246 1.00 7.27 C ATOM 155 CG2 ILE A 257 7.461 4.374 -10.902 1.00 8.44 C ATOM 156 CD1 ILE A 257 8.340 1.549 -11.654 1.00 10.40 C ATOM 157 H ILE A 257 6.684 3.869 -15.028 1.00 0.00 H ATOM 158 N GLU A 258 5.238 6.679 -12.689 1.00 7.58 N ATOM 159 CA GLU A 258 5.420 8.128 -12.713 1.00 10.38 C ATOM 160 C GLU A 258 6.189 8.645 -11.488 1.00 11.43 C ATOM 161 O GLU A 258 6.145 8.054 -10.412 1.00 10.36 O ATOM 162 CB GLU A 258 4.071 8.823 -12.831 1.00 12.96 C ATOM 163 CG GLU A 258 3.123 8.581 -11.707 1.00 17.73 C ATOM 164 CD GLU A 258 1.983 9.584 -11.741 1.00 23.81 C ATOM 165 OE1 GLU A 258 2.080 10.604 -11.037 1.00 16.81 O ATOM 166 OE2 GLU A 258 1.011 9.360 -12.490 1.00 28.70 O ATOM 167 H GLU A 258 4.355 6.257 -12.337 1.00 0.00 H ATOM 168 N GLY A 259 6.874 9.781 -11.638 1.00 11.04 N ATOM 169 CA GLY A 259 7.609 10.354 -10.525 1.00 7.30 C ATOM 170 C GLY A 259 8.886 9.605 -10.146 1.00 7.10 C ATOM 171 O GLY A 259 9.391 9.743 -9.023 1.00 10.86 O ATOM 172 H GLY A 259 6.881 10.260 -12.561 1.00 0.00 H ATOM 173 N TRP A 260 9.422 8.866 -11.108 1.00 9.15 N ATOM 174 CA TRP A 260 10.655 8.119 -10.913 1.00 8.32 C ATOM 175 C TRP A 260 11.737 9.042 -10.410 1.00 11.83 C ATOM 176 O TRP A 260 11.873 10.171 -10.910 1.00 13.27 O ATOM 177 CB TRP A 260 11.098 7.471 -12.224 1.00 11.20 C ATOM 178 CG TRP A 260 12.323 6.644 -12.039 1.00 9.36 C ATOM 179 CD1 TRP A 260 13.623 7.034 -12.241 1.00 10.42 C ATOM 180 CD2 TRP A 260 12.374 5.285 -11.596 1.00 7.92 C ATOM 181 NE1 TRP A 260 14.471 5.998 -11.961 1.00 10.54 N ATOM 182 CE2 TRP A 260 13.732 4.917 -11.562 1.00 9.66 C ATOM 183 CE3 TRP A 260 11.400 4.347 -11.253 1.00 8.79 C ATOM 184 CZ2 TRP A 260 14.146 3.631 -11.183 1.00 12.31 C ATOM 185 CZ3 TRP A 260 11.807 3.083 -10.859 1.00 10.97 C ATOM 186 CH2 TRP A 260 13.167 2.734 -10.833 1.00 9.93 C ATOM 187 HE1 TRP A 260 15.508 6.027 -12.039 1.00 0.00 H ATOM 188 H TRP A 260 8.946 8.819 -12.031 1.00 0.00 H ATOM 189 N GLU A 261 12.505 8.584 -9.424 1.00 9.37 N ATOM 190 CA GLU A 261 13.635 9.356 -8.933 1.00 11.98 C ATOM 191 C GLU A 261 14.897 8.517 -8.982 1.00 13.30 C ATOM 192 O GLU A 261 14.857 7.312 -8.730 1.00 11.12 O ATOM 193 CB GLU A 261 13.385 9.848 -7.515 1.00 12.15 C ATOM 194 CG GLU A 261 12.161 10.797 -7.366 1.00 14.65 C ATOM 195 CD GLU A 261 12.242 12.116 -8.204 1.00 17.27 C ATOM 196 OE1 GLU A 261 13.338 12.528 -8.647 1.00 20.89 O ATOM 197 OE2 GLU A 261 11.184 12.757 -8.407 1.00 12.61 O ATOM 198 H GLU A 261 12.293 7.659 -8.998 1.00 0.00 H ATOM 199 N GLY A 262 16.013 9.151 -9.327 1.00 10.97 N ATOM 200 CA GLY A 262 17.291 8.464 -9.334 1.00 10.84 C ATOM 201 C GLY A 262 17.603 7.796 -10.654 1.00 9.63 C ATOM 202 O GLY A 262 16.901 7.989 -11.653 1.00 12.08 O ATOM 203 H GLY A 262 15.970 10.155 -9.596 1.00 0.00 H ATOM 204 N SER A 263 18.683 7.017 -10.661 1.00 9.51 N ATOM 205 CA SER A 263 19.162 6.401 -11.885 1.00 9.37 C ATOM 206 C SER A 263 18.108 5.486 -12.475 1.00 10.69 C ATOM 207 O SER A 263 17.269 4.928 -11.763 1.00 9.17 O ATOM 208 CB SER A 263 20.461 5.630 -11.629 1.00 12.01 C ATOM 209 OG SER A 263 20.231 4.650 -10.625 1.00 13.10 O ATOM 210 HG SER A 263 21.068 4.149 -10.456 1.00 0.00 H ATOM 211 H SER A 263 19.194 6.846 -9.771 1.00 0.00 H ATOM 212 N ASN A 264 18.156 5.352 -13.790 1.00 9.42 N ATOM 213 CA ASN A 264 17.186 4.543 -14.516 1.00 8.80 C ATOM 214 C ASN A 264 17.432 3.062 -14.390 1.00 7.53 C ATOM 215 O ASN A 264 18.575 2.628 -14.291 1.00 10.27 O ATOM 216 CB ASN A 264 17.209 4.916 -15.992 1.00 11.46 C ATOM 217 CG ASN A 264 16.804 6.344 -16.213 1.00 12.74 C ATOM 218 OD1 ASN A 264 15.865 6.834 -15.586 1.00 10.94 O ATOM 219 ND2 ASN A 264 17.527 7.035 -17.092 1.00 19.37 N ATOM 220 HD22 ASN A 264 18.311 6.575 -17.597 1.00 0.00 H ATOM 221 HD21 ASN A 264 17.308 8.035 -17.274 1.00 0.00 H ATOM 222 H ASN A 264 18.907 5.838 -14.321 1.00 0.00 H ATOM 223 N LEU A 265 16.361 2.279 -14.465 1.00 6.72 N ATOM 224 CA LEU A 265 16.497 0.814 -14.377 1.00 8.86 C ATOM 225 C LEU A 265 17.508 0.226 -15.376 1.00 13.13 C ATOM 226 O LEU A 265 18.297 -0.643 -15.020 1.00 9.82 O ATOM 227 CB LEU A 265 15.142 0.145 -14.585 1.00 8.18 C ATOM 228 CG LEU A 265 14.195 0.401 -13.420 1.00 9.70 C ATOM 229 CD1 LEU A 265 12.829 -0.125 -13.784 1.00 13.68 C ATOM 230 CD2 LEU A 265 14.712 -0.291 -12.125 1.00 9.63 C ATOM 231 H LEU A 265 15.419 2.703 -14.587 1.00 0.00 H ATOM 232 N THR A 266 17.520 0.714 -16.620 1.00 10.01 N ATOM 233 CA THR A 266 18.398 0.077 -17.597 1.00 8.21 C ATOM 234 C THR A 266 19.871 0.379 -17.340 1.00 10.97 C ATOM 235 O THR A 266 20.734 -0.252 -17.932 1.00 13.30 O ATOM 236 CB THR A 266 18.065 0.495 -19.054 1.00 12.33 C ATOM 237 OG1 THR A 266 18.205 1.912 -19.172 1.00 12.73 O ATOM 238 CG2 THR A 266 16.653 0.090 -19.448 1.00 11.20 C ATOM 239 HG1 THR A 266 19.136 2.170 -18.954 1.00 0.00 H ATOM 240 H THR A 266 16.922 1.523 -16.884 1.00 0.00 H ATOM 241 N ASP A 267 20.175 1.303 -16.433 1.00 10.40 N ATOM 242 CA ASP A 267 21.576 1.564 -16.111 1.00 12.32 C ATOM 243 C ASP A 267 22.119 0.696 -14.990 1.00 15.05 C ATOM 244 O ASP A 267 23.335 0.512 -14.885 1.00 16.88 O ATOM 245 CB ASP A 267 21.773 3.023 -15.745 1.00 13.98 C ATOM 246 CG ASP A 267 21.622 3.928 -16.948 1.00 16.95 C ATOM 247 OD1 ASP A 267 22.124 3.551 -18.033 1.00 27.70 O ATOM 248 OD2 ASP A 267 21.002 4.986 -16.812 1.00 25.50 O ATOM 249 H ASP A 267 19.420 1.836 -15.956 1.00 0.00 H ATOM 250 N ILE A 268 21.238 0.165 -14.140 1.00 9.30 N ATOM 251 CA ILE A 268 21.707 -0.568 -12.978 1.00 9.10 C ATOM 252 C ILE A 268 21.094 -1.948 -12.806 1.00 12.43 C ATOM 253 O ILE A 268 21.538 -2.697 -11.935 1.00 11.72 O ATOM 254 CB ILE A 268 21.448 0.216 -11.702 1.00 14.49 C ATOM 255 CG1 ILE A 268 19.999 0.691 -11.681 1.00 10.65 C ATOM 256 CG2 ILE A 268 22.406 1.423 -11.618 1.00 14.52 C ATOM 257 CD1 ILE A 268 19.476 0.986 -10.260 1.00 17.74 C ATOM 258 H ILE A 268 20.218 0.276 -14.310 1.00 0.00 H ATOM 259 N CYS A 269 20.092 -2.285 -13.621 1.00 9.40 N ATOM 260 CA CYS A 269 19.396 -3.584 -13.482 1.00 7.37 C ATOM 261 C CYS A 269 19.360 -4.329 -14.804 1.00 10.11 C ATOM 262 O CYS A 269 19.604 -3.740 -15.871 1.00 12.03 O ATOM 263 CB CYS A 269 17.943 -3.396 -12.999 1.00 8.51 C ATOM 264 SG CYS A 269 17.748 -2.425 -11.512 1.00 9.05 S ATOM 265 H CYS A 269 19.795 -1.623 -14.367 1.00 0.00 H ATOM 266 N THR A 270 19.039 -5.620 -14.742 1.00 7.96 N ATOM 267 CA THR A 270 18.950 -6.453 -15.932 1.00 6.95 C ATOM 268 C THR A 270 17.740 -7.379 -15.961 1.00 14.05 C ATOM 269 O THR A 270 17.445 -7.980 -16.986 1.00 11.73 O ATOM 270 CB THR A 270 20.181 -7.342 -16.098 1.00 14.20 C ATOM 271 OG1 THR A 270 20.209 -8.291 -15.028 1.00 11.46 O ATOM 272 CG2 THR A 270 21.468 -6.520 -16.123 1.00 16.77 C ATOM 273 HG1 THR A 270 20.255 -7.811 -14.164 1.00 0.00 H ATOM 274 H THR A 270 18.846 -6.047 -13.813 1.00 0.00 H ATOM 275 N GLN A 271 17.058 -7.531 -14.831 1.00 10.28 N ATOM 276 CA GLN A 271 15.984 -8.514 -14.727 1.00 5.88 C ATOM 277 C GLN A 271 15.052 -8.127 -13.568 1.00 8.17 C ATOM 278 O GLN A 271 15.411 -7.326 -12.702 1.00 8.26 O ATOM 279 CB GLN A 271 16.533 -9.918 -14.475 1.00 8.16 C ATOM 280 CG GLN A 271 17.334 -9.945 -13.194 1.00 9.89 C ATOM 281 CD GLN A 271 17.837 -11.348 -12.801 1.00 20.88 C ATOM 282 OE1 GLN A 271 17.107 -12.124 -12.217 1.00 28.50 O ATOM 283 NE2 GLN A 271 19.091 -11.640 -13.095 1.00 28.34 N ATOM 284 HE22 GLN A 271 19.683 -10.947 -13.596 1.00 0.00 H ATOM 285 HE21 GLN A 271 19.487 -12.563 -12.825 1.00 0.00 H ATOM 286 H GLN A 271 17.293 -6.940 -14.008 1.00 0.00 H ATOM 287 N LEU A 272 13.827 -8.624 -13.633 1.00 8.80 N ATOM 288 CA LEU A 272 12.850 -8.519 -12.549 1.00 5.90 C ATOM 289 C LEU A 272 12.669 -9.882 -11.895 1.00 9.85 C ATOM 290 O LEU A 272 12.263 -10.826 -12.575 1.00 11.40 O ATOM 291 CB LEU A 272 11.497 -8.010 -13.087 1.00 7.17 C ATOM 292 CG LEU A 272 10.362 -7.861 -12.075 1.00 8.47 C ATOM 293 CD1 LEU A 272 10.674 -6.756 -11.079 1.00 7.76 C ATOM 294 CD2 LEU A 272 9.063 -7.568 -12.810 1.00 9.92 C ATOM 295 H LEU A 272 13.543 -9.117 -14.504 1.00 0.00 H ATOM 296 N LEU A 273 12.950 -10.000 -10.602 1.00 7.66 N ATOM 297 CA LEU A 273 12.723 -11.283 -9.931 1.00 7.77 C ATOM 298 C LEU A 273 11.268 -11.458 -9.522 1.00 7.30 C ATOM 299 O LEU A 273 10.729 -12.569 -9.628 1.00 8.92 O ATOM 300 CB LEU A 273 13.633 -11.449 -8.705 1.00 8.81 C ATOM 301 CG LEU A 273 15.104 -11.661 -9.059 1.00 10.23 C ATOM 302 CD1 LEU A 273 15.875 -10.371 -9.147 1.00 8.84 C ATOM 303 CD2 LEU A 273 15.756 -12.617 -8.051 1.00 14.43 C ATOM 304 H LEU A 273 13.328 -9.189 -10.071 1.00 0.00 H ATOM 305 N LEU A 274 10.626 -10.388 -9.059 1.00 6.22 N ATOM 306 CA LEU A 274 9.264 -10.492 -8.546 1.00 3.61 C ATOM 307 C LEU A 274 8.603 -9.122 -8.464 1.00 3.12 C ATOM 308 O LEU A 274 9.273 -8.153 -8.150 1.00 7.87 O ATOM 309 CB LEU A 274 9.283 -11.139 -7.159 1.00 5.40 C ATOM 310 CG LEU A 274 7.946 -11.524 -6.548 1.00 9.05 C ATOM 311 CD1 LEU A 274 7.320 -12.588 -7.454 1.00 14.48 C ATOM 312 CD2 LEU A 274 8.125 -12.096 -5.123 1.00 10.24 C ATOM 313 H LEU A 274 11.102 -9.464 -9.063 1.00 0.00 H ATOM 314 N GLN A 275 7.307 -9.058 -8.775 1.00 5.99 N ATOM 315 CA GLN A 275 6.539 -7.855 -8.481 1.00 7.36 C ATOM 316 C GLN A 275 5.266 -8.322 -7.802 1.00 8.78 C ATOM 317 O GLN A 275 4.794 -9.461 -8.004 1.00 9.66 O ATOM 318 CB GLN A 275 6.182 -7.028 -9.717 1.00 9.56 C ATOM 319 CG GLN A 275 5.335 -7.793 -10.704 1.00 12.64 C ATOM 320 CD GLN A 275 4.914 -6.934 -11.906 1.00 22.15 C ATOM 321 OE1 GLN A 275 5.622 -6.007 -12.310 1.00 14.16 O ATOM 322 NE2 GLN A 275 3.763 -7.258 -12.488 1.00 30.15 N ATOM 323 HE22 GLN A 275 3.196 -8.047 -12.116 1.00 0.00 H ATOM 324 HE21 GLN A 275 3.430 -6.723 -13.315 1.00 0.00 H ATOM 325 H GLN A 275 6.843 -9.870 -9.229 1.00 0.00 H ATOM 326 N GLY A 276 4.712 -7.476 -6.949 1.00 4.92 N ATOM 327 CA GLY A 276 3.472 -7.836 -6.281 1.00 7.31 C ATOM 328 C GLY A 276 3.042 -6.734 -5.327 1.00 8.51 C ATOM 329 O GLY A 276 3.836 -5.879 -4.975 1.00 9.29 O ATOM 330 H GLY A 276 5.161 -6.558 -6.757 1.00 0.00 H ATOM 331 N THR A 277 1.788 -6.821 -4.881 1.00 7.99 N ATOM 332 CA THR A 277 1.234 -5.880 -3.937 1.00 7.76 C ATOM 333 C THR A 277 1.497 -6.390 -2.525 1.00 6.90 C ATOM 334 O THR A 277 1.311 -7.587 -2.242 1.00 11.00 O ATOM 335 CB THR A 277 -0.270 -5.760 -4.154 1.00 14.17 C ATOM 336 OG1 THR A 277 -0.506 -5.331 -5.501 1.00 18.71 O ATOM 337 CG2 THR A 277 -0.842 -4.761 -3.187 1.00 15.26 C ATOM 338 HG1 THR A 277 -1.481 -5.249 -5.654 1.00 0.00 H ATOM 339 H THR A 277 1.187 -7.596 -5.226 1.00 0.00 H ATOM 340 N LEU A 278 1.937 -5.492 -1.641 1.00 5.80 N ATOM 341 CA LEU A 278 2.150 -5.815 -0.226 1.00 6.65 C ATOM 342 C LEU A 278 1.612 -4.696 0.638 1.00 7.78 C ATOM 343 O LEU A 278 1.536 -3.549 0.188 1.00 9.35 O ATOM 344 CB LEU A 278 3.630 -5.983 0.093 1.00 7.29 C ATOM 345 CG LEU A 278 4.293 -7.137 -0.645 1.00 6.22 C ATOM 346 CD1 LEU A 278 5.801 -7.023 -0.443 1.00 6.93 C ATOM 347 CD2 LEU A 278 3.720 -8.444 -0.089 1.00 9.20 C ATOM 348 H LEU A 278 2.137 -4.525 -1.968 1.00 0.00 H ATOM 349 N LEU A 279 1.261 -5.019 1.880 1.00 5.70 N ATOM 350 CA LEU A 279 0.906 -3.982 2.832 1.00 7.17 C ATOM 351 C LEU A 279 2.203 -3.476 3.448 1.00 7.75 C ATOM 352 O LEU A 279 2.975 -4.280 3.922 1.00 9.84 O ATOM 353 CB LEU A 279 -0.004 -4.554 3.925 1.00 7.73 C ATOM 354 CG LEU A 279 -0.737 -3.547 4.818 1.00 12.96 C ATOM 355 CD1 LEU A 279 -1.614 -2.567 3.993 1.00 11.06 C ATOM 356 CD2 LEU A 279 -1.573 -4.325 5.840 1.00 17.26 C ATOM 357 H LEU A 279 1.241 -6.018 2.170 1.00 0.00 H ATOM 358 N LYS A 280 2.442 -2.167 3.447 1.00 6.27 N ATOM 359 CA LYS A 280 3.664 -1.607 4.010 1.00 6.52 C ATOM 360 C LYS A 280 3.332 -0.749 5.233 1.00 9.40 C ATOM 361 O LYS A 280 2.474 0.122 5.146 1.00 10.22 O ATOM 362 CB LYS A 280 4.399 -0.769 2.943 1.00 8.87 C ATOM 363 CG LYS A 280 5.609 0.001 3.449 1.00 11.71 C ATOM 364 CD LYS A 280 6.327 0.661 2.272 1.00 9.22 C ATOM 365 CE LYS A 280 7.324 1.713 2.788 1.00 14.70 C ATOM 366 NZ LYS A 280 6.538 2.971 3.112 1.00 14.42 N ATOM 367 HZ1 LYS A 280 6.063 3.312 2.252 1.00 0.00 H ATOM 368 HZ2 LYS A 280 5.827 2.756 3.840 1.00 0.00 H ATOM 369 HZ3 LYS A 280 7.187 3.703 3.464 1.00 0.00 H ATOM 370 H LYS A 280 1.736 -1.525 3.033 1.00 0.00 H ATOM 371 N ILE A 281 3.977 -1.018 6.360 1.00 7.14 N ATOM 372 CA ILE A 281 3.745 -0.202 7.553 1.00 8.35 C ATOM 373 C ILE A 281 5.063 0.482 7.826 1.00 10.92 C ATOM 374 O ILE A 281 6.065 -0.162 8.122 1.00 10.98 O ATOM 375 CB ILE A 281 3.279 -1.050 8.749 1.00 10.20 C ATOM 376 CG1 ILE A 281 2.092 -1.915 8.313 1.00 12.44 C ATOM 377 CG2 ILE A 281 2.832 -0.133 9.882 1.00 9.62 C ATOM 378 CD1 ILE A 281 1.640 -2.907 9.388 1.00 13.39 C ATOM 379 H ILE A 281 4.649 -1.811 6.396 1.00 0.00 H ATOM 380 N SER A 282 5.025 1.811 7.791 1.00 10.89 N ATOM 381 CA SER A 282 6.235 2.596 7.965 1.00 11.81 C ATOM 382 C SER A 282 5.917 3.839 8.763 1.00 15.91 C ATOM 383 O SER A 282 4.919 4.506 8.494 1.00 16.15 O ATOM 384 CB SER A 282 6.788 2.984 6.589 1.00 20.06 C ATOM 385 OG SER A 282 8.042 3.646 6.681 1.00 18.74 O ATOM 386 HG SER A 282 8.359 3.877 5.772 1.00 0.00 H ATOM 387 H SER A 282 4.117 2.295 7.637 1.00 0.00 H ATOM 388 N ALA A 283 6.802 4.160 9.703 1.00 17.79 N ATOM 389 CA ALA A 283 6.695 5.389 10.504 1.00 19.97 C ATOM 390 C ALA A 283 5.264 5.661 10.971 1.00 28.16 C ATOM 391 O ALA A 283 4.784 6.797 10.908 1.00 35.25 O ATOM 392 CB ALA A 283 7.218 6.555 9.716 1.00 22.32 C ATOM 393 H ALA A 283 7.600 3.517 9.878 1.00 0.00 H ATOM 394 N GLY A 284 4.592 4.609 11.425 1.00 27.61 N ATOM 395 CA GLY A 284 3.230 4.713 11.920 1.00 36.05 C ATOM 396 C GLY A 284 2.133 4.669 10.870 1.00 46.16 C ATOM 397 O GLY A 284 0.949 4.783 11.186 1.00 40.04 O ATOM 398 H GLY A 284 5.057 3.679 11.426 1.00 0.00 H ATOM 399 N ASN A 285 2.517 4.510 9.610 1.00 22.98 N ATOM 400 CA ASN A 285 1.576 4.606 8.509 1.00 15.51 C ATOM 401 C ASN A 285 1.375 3.259 7.805 1.00 19.02 C ATOM 402 O ASN A 285 2.350 2.620 7.439 1.00 17.43 O ATOM 403 CB ASN A 285 2.078 5.648 7.522 1.00 20.44 C ATOM 404 CG ASN A 285 0.965 6.365 6.824 1.00 23.93 C ATOM 405 OD1 ASN A 285 0.812 6.252 5.610 1.00 25.80 O ATOM 406 ND2 ASN A 285 0.177 7.120 7.583 1.00 20.69 N ATOM 407 HD22 ASN A 285 0.347 7.184 8.607 1.00 0.00 H ATOM 408 HD21 ASN A 285 -0.610 7.647 7.153 1.00 0.00 H ATOM 409 H ASN A 285 3.517 4.312 9.406 1.00 0.00 H ATOM 410 N ILE A 286 0.119 2.884 7.584 1.00 15.22 N ATOM 411 CA ILE A 286 -0.222 1.642 6.894 1.00 16.92 C ATOM 412 C ILE A 286 -0.709 1.947 5.476 1.00 19.14 C ATOM 413 O ILE A 286 -1.719 2.629 5.276 1.00 15.91 O ATOM 414 CB ILE A 286 -1.299 0.883 7.644 1.00 17.68 C ATOM 415 CG1 ILE A 286 -0.805 0.517 9.039 1.00 23.74 C ATOM 416 CG2 ILE A 286 -1.700 -0.349 6.894 1.00 15.56 C ATOM 417 CD1 ILE A 286 -1.802 -0.297 9.846 1.00 27.15 C ATOM 418 H ILE A 286 -0.651 3.499 7.915 1.00 0.00 H ATOM 419 N GLN A 287 0.023 1.433 4.485 1.00 14.31 N ATOM 420 CA GLN A 287 -0.220 1.744 3.075 1.00 11.90 C ATOM 421 C GLN A 287 0.040 0.543 2.179 1.00 11.06 C ATOM 422 O GLN A 287 1.084 -0.065 2.278 1.00 12.88 O ATOM 423 CB GLN A 287 0.684 2.886 2.602 1.00 13.01 C ATOM 424 CG GLN A 287 0.627 4.150 3.432 1.00 17.96 C ATOM 425 CD GLN A 287 -0.573 5.017 3.102 1.00 18.76 C ATOM 426 OE1 GLN A 287 -1.380 4.681 2.236 1.00 17.61 O ATOM 427 NE2 GLN A 287 -0.694 6.142 3.796 1.00 13.15 N ATOM 428 HE22 GLN A 287 0.013 6.386 4.519 1.00 0.00 H ATOM 429 HE21 GLN A 287 -1.496 6.780 3.617 1.00 0.00 H ATOM 430 H GLN A 287 0.799 0.784 4.725 1.00 0.00 H ATOM 431 N GLU A 288 -0.894 0.243 1.282 1.00 9.88 N ATOM 432 CA GLU A 288 -0.659 -0.794 0.283 1.00 9.41 C ATOM 433 C GLU A 288 0.286 -0.223 -0.793 1.00 7.74 C ATOM 434 O GLU A 288 0.127 0.926 -1.217 1.00 9.45 O ATOM 435 CB GLU A 288 -2.002 -1.220 -0.311 1.00 16.77 C ATOM 436 CG GLU A 288 -2.002 -2.426 -1.161 1.00 24.85 C ATOM 437 CD GLU A 288 -3.396 -3.033 -1.295 1.00 20.25 C ATOM 438 OE1 GLU A 288 -4.335 -2.310 -1.672 1.00 40.73 O ATOM 439 OE2 GLU A 288 -3.543 -4.232 -0.996 1.00 23.55 O ATOM 440 H GLU A 288 -1.801 0.752 1.292 1.00 0.00 H ATOM 441 N ARG A 289 1.262 -1.029 -1.237 1.00 7.67 N ATOM 442 CA ARG A 289 2.228 -0.590 -2.248 1.00 6.59 C ATOM 443 C ARG A 289 2.480 -1.724 -3.224 1.00 6.71 C ATOM 444 O ARG A 289 2.414 -2.885 -2.837 1.00 8.06 O ATOM 445 CB ARG A 289 3.570 -0.198 -1.605 1.00 7.61 C ATOM 446 CG ARG A 289 3.476 1.022 -0.643 1.00 7.34 C ATOM 447 CD ARG A 289 3.328 2.269 -1.489 1.00 8.40 C ATOM 448 NE ARG A 289 3.250 3.500 -0.696 1.00 11.92 N ATOM 449 CZ ARG A 289 2.116 4.168 -0.499 1.00 13.07 C ATOM 450 NH1 ARG A 289 0.971 3.698 -0.984 1.00 11.58 N ATOM 451 NH2 ARG A 289 2.116 5.318 0.193 1.00 17.00 N ATOM 452 HE ARG A 289 4.123 3.869 -0.267 1.00 0.00 H ATOM 453 HH12 ARG A 289 0.086 4.222 -0.829 1.00 0.00 H ATOM 454 HH11 ARG A 289 0.960 2.806 -1.519 1.00 0.00 H ATOM 455 HH22 ARG A 289 1.226 5.835 0.343 1.00 0.00 H ATOM 456 HH21 ARG A 289 3.006 5.692 0.579 1.00 0.00 H ATOM 457 H ARG A 289 1.335 -1.993 -0.853 1.00 0.00 H ATOM 458 N ALA A 290 2.776 -1.363 -4.461 1.00 6.65 N ATOM 459 CA ALA A 290 3.296 -2.262 -5.477 1.00 6.26 C ATOM 460 C ALA A 290 4.801 -2.341 -5.288 1.00 6.10 C ATOM 461 O ALA A 290 5.472 -1.324 -5.334 1.00 7.56 O ATOM 462 CB ALA A 290 2.966 -1.758 -6.858 1.00 8.85 C ATOM 463 H ALA A 290 2.626 -0.368 -4.725 1.00 0.00 H ATOM 464 N PHE A 291 5.328 -3.548 -5.068 1.00 5.30 N ATOM 465 CA PHE A 291 6.770 -3.738 -4.910 1.00 7.52 C ATOM 466 C PHE A 291 7.358 -4.426 -6.119 1.00 5.51 C ATOM 467 O PHE A 291 6.725 -5.283 -6.711 1.00 7.44 O ATOM 468 CB PHE A 291 7.104 -4.608 -3.679 1.00 5.88 C ATOM 469 CG PHE A 291 7.029 -3.874 -2.369 1.00 5.47 C ATOM 470 CD1 PHE A 291 5.802 -3.564 -1.797 1.00 6.73 C ATOM 471 CD2 PHE A 291 8.206 -3.535 -1.688 1.00 5.46 C ATOM 472 CE1 PHE A 291 5.744 -2.911 -0.552 1.00 7.23 C ATOM 473 CE2 PHE A 291 8.161 -2.883 -0.453 1.00 8.13 C ATOM 474 CZ PHE A 291 6.905 -2.567 0.112 1.00 6.72 C ATOM 475 H PHE A 291 4.698 -4.373 -5.007 1.00 0.00 H ATOM 476 N PHE A 292 8.579 -4.044 -6.455 1.00 5.42 N ATOM 477 CA PHE A 292 9.295 -4.600 -7.603 1.00 4.94 C ATOM 478 C PHE A 292 10.703 -4.940 -7.142 1.00 4.57 C ATOM 479 O PHE A 292 11.444 -4.040 -6.718 1.00 6.44 O ATOM 480 CB PHE A 292 9.384 -3.584 -8.759 1.00 4.86 C ATOM 481 CG PHE A 292 8.061 -3.060 -9.233 1.00 5.93 C ATOM 482 CD1 PHE A 292 7.433 -2.035 -8.548 1.00 6.18 C ATOM 483 CD2 PHE A 292 7.475 -3.554 -10.412 1.00 10.40 C ATOM 484 CE1 PHE A 292 6.218 -1.531 -8.978 1.00 10.83 C ATOM 485 CE2 PHE A 292 6.263 -3.021 -10.871 1.00 11.38 C ATOM 486 CZ PHE A 292 5.626 -2.032 -10.136 1.00 8.32 C ATOM 487 H PHE A 292 9.050 -3.318 -5.879 1.00 0.00 H ATOM 488 N LEU A 293 11.086 -6.219 -7.217 1.00 3.10 N ATOM 489 CA LEU A 293 12.450 -6.589 -6.859 1.00 4.77 C ATOM 490 C LEU A 293 13.210 -6.913 -8.119 1.00 4.71 C ATOM 491 O LEU A 293 12.916 -7.907 -8.777 1.00 7.36 O ATOM 492 CB LEU A 293 12.452 -7.804 -5.922 1.00 4.42 C ATOM 493 CG LEU A 293 13.849 -8.321 -5.571 1.00 3.97 C ATOM 494 CD1 LEU A 293 14.626 -7.288 -4.750 1.00 5.06 C ATOM 495 CD2 LEU A 293 13.660 -9.627 -4.766 1.00 5.81 C ATOM 496 H LEU A 293 10.413 -6.948 -7.530 1.00 0.00 H ATOM 497 N PHE A 294 14.203 -6.093 -8.428 1.00 4.26 N ATOM 498 CA PHE A 294 15.110 -6.293 -9.566 1.00 6.70 C ATOM 499 C PHE A 294 16.444 -6.766 -9.020 1.00 6.24 C ATOM 500 O PHE A 294 16.722 -6.603 -7.821 1.00 7.16 O ATOM 501 CB PHE A 294 15.372 -4.975 -10.307 1.00 6.05 C ATOM 502 CG PHE A 294 14.134 -4.255 -10.744 1.00 3.28 C ATOM 503 CD1 PHE A 294 13.579 -4.523 -12.000 1.00 6.81 C ATOM 504 CD2 PHE A 294 13.510 -3.323 -9.912 1.00 6.19 C ATOM 505 CE1 PHE A 294 12.408 -3.852 -12.424 1.00 6.23 C ATOM 506 CE2 PHE A 294 12.348 -2.649 -10.334 1.00 6.52 C ATOM 507 CZ PHE A 294 11.809 -2.913 -11.578 1.00 6.34 C ATOM 508 H PHE A 294 14.350 -5.256 -7.828 1.00 0.00 H ATOM 509 N ASP A 295 17.333 -7.222 -9.901 1.00 6.45 N ATOM 510 CA ASP A 295 18.697 -7.382 -9.435 1.00 7.42 C ATOM 511 C ASP A 295 19.204 -5.986 -9.063 1.00 9.27 C ATOM 512 O ASP A 295 19.031 -5.020 -9.830 1.00 10.05 O ATOM 513 CB ASP A 295 19.600 -8.071 -10.478 1.00 10.32 C ATOM 514 CG ASP A 295 19.628 -7.364 -11.825 1.00 14.29 C ATOM 515 OD1 ASP A 295 18.579 -6.860 -12.276 1.00 8.25 O ATOM 516 OD2 ASP A 295 20.711 -7.331 -12.465 1.00 11.96 O ATOM 517 H ASP A 295 17.061 -7.453 -10.878 1.00 0.00 H ATOM 518 N ASN A 296 19.755 -5.898 -7.853 1.00 9.31 N ATOM 519 CA ASN A 296 20.369 -4.691 -7.276 1.00 9.38 C ATOM 520 C ASN A 296 19.389 -3.660 -6.730 1.00 9.02 C ATOM 521 O ASN A 296 19.833 -2.670 -6.137 1.00 8.76 O ATOM 522 CB ASN A 296 21.303 -3.997 -8.280 1.00 6.63 C ATOM 523 CG ASN A 296 22.277 -4.978 -8.928 1.00 12.14 C ATOM 524 OD1 ASN A 296 22.972 -5.717 -8.237 1.00 13.84 O ATOM 525 ND2 ASN A 296 22.305 -5.007 -10.252 1.00 14.97 N ATOM 526 HD22 ASN A 296 21.699 -4.363 -10.799 1.00 0.00 H ATOM 527 HD21 ASN A 296 22.933 -5.674 -10.744 1.00 0.00 H ATOM 528 H ASN A 296 19.751 -6.756 -7.266 1.00 0.00 H ATOM 529 N LEU A 297 18.086 -3.861 -6.881 1.00 5.78 N ATOM 530 CA LEU A 297 17.210 -2.742 -6.506 1.00 4.70 C ATOM 531 C LEU A 297 15.809 -3.185 -6.106 1.00 6.10 C ATOM 532 O LEU A 297 15.193 -3.960 -6.823 1.00 7.42 O ATOM 533 CB LEU A 297 17.087 -1.769 -7.687 1.00 6.36 C ATOM 534 CG LEU A 297 16.362 -0.461 -7.416 1.00 6.36 C ATOM 535 CD1 LEU A 297 17.230 0.435 -6.523 1.00 10.17 C ATOM 536 CD2 LEU A 297 16.025 0.244 -8.748 1.00 11.44 C ATOM 537 H LEU A 297 17.707 -4.759 -7.244 1.00 0.00 H ATOM 538 N LEU A 298 15.285 -2.626 -5.012 1.00 4.19 N ATOM 539 CA LEU A 298 13.886 -2.828 -4.648 1.00 5.98 C ATOM 540 C LEU A 298 13.179 -1.500 -4.823 1.00 8.25 C ATOM 541 O LEU A 298 13.657 -0.478 -4.335 1.00 8.40 O ATOM 542 CB LEU A 298 13.764 -3.286 -3.187 1.00 7.30 C ATOM 543 CG LEU A 298 12.315 -3.518 -2.743 1.00 6.66 C ATOM 544 CD1 LEU A 298 11.789 -4.848 -3.331 1.00 6.41 C ATOM 545 CD2 LEU A 298 12.236 -3.518 -1.201 1.00 15.18 C ATOM 546 H LEU A 298 15.887 -2.033 -4.406 1.00 0.00 H ATOM 547 N VAL A 299 12.040 -1.516 -5.492 1.00 5.65 N ATOM 548 CA VAL A 299 11.275 -0.270 -5.698 1.00 5.29 C ATOM 549 C VAL A 299 9.881 -0.489 -5.143 1.00 7.78 C ATOM 550 O VAL A 299 9.318 -1.570 -5.291 1.00 7.44 O ATOM 551 CB VAL A 299 11.175 0.090 -7.194 1.00 7.18 C ATOM 552 CG1 VAL A 299 10.343 1.364 -7.388 1.00 7.90 C ATOM 553 CG2 VAL A 299 12.552 0.291 -7.768 1.00 7.57 C ATOM 554 H VAL A 299 11.680 -2.413 -5.876 1.00 0.00 H ATOM 555 N TYR A 300 9.304 0.527 -4.502 1.00 5.74 N ATOM 556 CA TYR A 300 7.900 0.425 -4.139 1.00 6.68 C ATOM 557 C TYR A 300 7.148 1.676 -4.560 1.00 7.15 C ATOM 558 O TYR A 300 7.711 2.776 -4.571 1.00 7.49 O ATOM 559 CB TYR A 300 7.715 0.147 -2.635 1.00 5.53 C ATOM 560 CG TYR A 300 8.453 1.083 -1.703 1.00 4.67 C ATOM 561 CD1 TYR A 300 9.753 0.805 -1.324 1.00 6.75 C ATOM 562 CD2 TYR A 300 7.834 2.228 -1.193 1.00 10.20 C ATOM 563 CE1 TYR A 300 10.435 1.640 -0.453 1.00 12.45 C ATOM 564 CE2 TYR A 300 8.500 3.064 -0.326 1.00 9.69 C ATOM 565 CZ TYR A 300 9.803 2.770 0.033 1.00 12.80 C ATOM 566 OH TYR A 300 10.507 3.592 0.896 1.00 15.11 O ATOM 567 HH TYR A 300 10.033 3.640 1.764 1.00 0.00 H ATOM 568 H TYR A 300 9.850 1.380 -4.265 1.00 0.00 H ATOM 569 N CYS A 301 5.893 1.464 -4.948 1.00 6.68 N ATOM 570 CA CYS A 301 5.067 2.503 -5.573 1.00 6.79 C ATOM 571 C CYS A 301 3.655 2.457 -5.034 1.00 8.76 C ATOM 572 O CYS A 301 3.165 1.415 -4.622 1.00 8.30 O ATOM 573 CB CYS A 301 4.966 2.293 -7.087 1.00 7.25 C ATOM 574 SG CYS A 301 6.526 2.271 -7.978 1.00 10.34 S ATOM 575 H CYS A 301 5.480 0.521 -4.802 1.00 0.00 H ATOM 576 N LYS A 302 2.952 3.578 -5.172 1.00 6.93 N ATOM 577 CA LYS A 302 1.525 3.616 -4.923 1.00 8.58 C ATOM 578 C LYS A 302 0.813 3.266 -6.218 1.00 9.89 C ATOM 579 O LYS A 302 1.220 3.692 -7.294 1.00 11.72 O ATOM 580 CB LYS A 302 1.113 5.015 -4.427 1.00 11.61 C ATOM 581 CG LYS A 302 -0.400 5.178 -4.216 1.00 14.29 C ATOM 582 CD LYS A 302 -0.716 6.589 -3.749 1.00 22.55 C ATOM 583 CE LYS A 302 -2.165 6.708 -3.277 1.00 30.81 C ATOM 584 NZ LYS A 302 -2.696 8.093 -3.494 1.00 53.74 N ATOM 585 HZ1 LYS A 302 -2.117 8.773 -2.961 1.00 0.00 H ATOM 586 HZ2 LYS A 302 -2.657 8.323 -4.508 1.00 0.00 H ATOM 587 HZ3 LYS A 302 -3.681 8.141 -3.164 1.00 0.00 H ATOM 588 H LYS A 302 3.439 4.449 -5.466 1.00 0.00 H ATOM 589 N ARG A 303 -0.232 2.461 -6.127 1.00 12.09 N ATOM 590 CA ARG A 303 -0.966 2.114 -7.328 1.00 15.92 C ATOM 591 C ARG A 303 -1.783 3.317 -7.791 1.00 22.93 C ATOM 592 O ARG A 303 -2.418 4.006 -6.981 1.00 22.04 O ATOM 593 CB ARG A 303 -1.840 0.888 -7.070 1.00 26.60 C ATOM 594 CG ARG A 303 -0.986 -0.235 -6.477 1.00 36.92 C ATOM 595 CD ARG A 303 -1.530 -1.650 -6.660 1.00 56.21 C ATOM 596 NE ARG A 303 -1.246 -2.167 -7.999 1.00 58.10 N ATOM 597 CZ ARG A 303 -0.522 -3.257 -8.228 1.00 61.39 C ATOM 598 NH1 ARG A 303 0.029 -3.905 -7.208 1.00 57.48 N ATOM 599 NH2 ARG A 303 -0.312 -3.676 -9.469 1.00 53.77 N ATOM 600 HE ARG A 303 -1.632 -1.653 -8.816 1.00 0.00 H ATOM 601 HH12 ARG A 303 0.597 -4.759 -7.380 1.00 0.00 H ATOM 602 HH11 ARG A 303 -0.108 -3.558 -6.237 1.00 0.00 H ATOM 603 HH22 ARG A 303 0.256 -4.530 -9.640 1.00 0.00 H ATOM 604 HH21 ARG A 303 -0.715 -3.150 -10.271 1.00 0.00 H ATOM 605 H ARG A 303 -0.524 2.081 -5.204 1.00 0.00 H ATOM 606 N LYS A 304 -1.707 3.637 -9.077 1.00 14.65 N ATOM 607 CA LYS A 304 -2.366 4.861 -9.539 1.00 20.61 C ATOM 608 C LYS A 304 -3.868 4.596 -9.595 1.00 30.28 C ATOM 609 O LYS A 304 -4.294 3.506 -9.966 1.00 31.96 O ATOM 610 CB LYS A 304 -1.804 5.318 -10.890 1.00 19.69 C ATOM 611 CG LYS A 304 -2.451 6.588 -11.450 1.00 34.81 C ATOM 612 CD LYS A 304 -1.510 7.334 -12.370 1.00 42.01 C ATOM 613 CE LYS A 304 -2.144 8.614 -12.918 1.00 28.78 C ATOM 614 NZ LYS A 304 -1.597 9.822 -12.242 1.00 26.01 N ATOM 615 HZ1 LYS A 304 -1.793 9.766 -11.222 1.00 0.00 H ATOM 616 HZ2 LYS A 304 -0.570 9.869 -12.397 1.00 0.00 H ATOM 617 HZ3 LYS A 304 -2.047 10.672 -12.636 1.00 0.00 H ATOM 618 H LYS A 304 -1.189 3.030 -9.744 1.00 0.00 H ATOM 619 N SER A 305 -4.665 5.580 -9.188 1.00 44.10 N ATOM 620 CA SER A 305 -6.120 5.424 -9.172 1.00 63.65 C ATOM 621 C SER A 305 -6.711 5.671 -10.555 1.00 60.06 C ATOM 622 O SER A 305 -6.479 6.723 -11.156 1.00 48.70 O ATOM 623 CB SER A 305 -6.757 6.377 -8.158 1.00 63.37 C ATOM 624 OG SER A 305 -6.133 7.650 -8.187 1.00 62.91 O ATOM 625 HG SER A 305 -6.227 8.042 -9.091 1.00 0.00 H ATOM 626 H SER A 305 -4.246 6.479 -8.875 1.00 0.00 H TER 627 SER A 305 ATOM 628 N ILE A 320 -2.261 8.070 -25.005 1.00 42.11 N ATOM 629 CA ILE A 320 -2.847 7.329 -23.888 1.00 41.75 C ATOM 630 C ILE A 320 -1.878 7.265 -22.702 1.00 41.70 C ATOM 631 O ILE A 320 -0.704 6.890 -22.852 1.00 32.51 O ATOM 632 CB ILE A 320 -3.252 5.894 -24.299 1.00 38.58 C ATOM 633 CG1 ILE A 320 -4.251 5.918 -25.462 1.00 29.84 C ATOM 634 CG2 ILE A 320 -3.854 5.145 -23.114 1.00 37.87 C ATOM 635 CD1 ILE A 320 -5.610 6.400 -25.083 1.00 23.50 C ATOM 636 HN3 ILE A 320 -1.387 7.597 -25.313 1.00 0.00 H ATOM 637 HN2 ILE A 320 -2.043 9.040 -24.699 1.00 0.00 H ATOM 638 HN1 ILE A 320 -2.938 8.098 -25.794 1.00 0.00 H ATOM 639 N ASN A 321 -2.389 7.644 -21.531 1.00 30.66 N ATOM 640 CA ASN A 321 -1.636 7.639 -20.282 1.00 31.31 C ATOM 641 C ASN A 321 -1.082 6.262 -19.929 1.00 21.55 C ATOM 642 O ASN A 321 -1.851 5.343 -19.657 1.00 28.12 O ATOM 643 CB ASN A 321 -2.534 8.125 -19.141 1.00 44.73 C ATOM 644 CG ASN A 321 -1.906 7.915 -17.776 1.00 41.99 C ATOM 645 OD1 ASN A 321 -0.710 8.135 -17.597 1.00 25.06 O ATOM 646 ND2 ASN A 321 -2.708 7.464 -16.812 1.00 52.37 N ATOM 647 HD22 ASN A 321 -3.714 7.292 -17.011 1.00 0.00 H ATOM 648 HD21 ASN A 321 -2.328 7.284 -15.861 1.00 0.00 H ATOM 649 H ASN A 321 -3.379 7.961 -21.506 1.00 0.00 H ATOM 650 N GLY A 322 0.239 6.115 -19.911 1.00 18.12 N ATOM 651 CA GLY A 322 0.815 4.811 -19.583 1.00 13.74 C ATOM 652 C GLY A 322 1.139 4.602 -18.109 1.00 12.79 C ATOM 653 O GLY A 322 1.662 3.536 -17.724 1.00 13.75 O ATOM 654 H GLY A 322 0.859 6.921 -20.129 1.00 0.00 H ATOM 655 N SER A 323 0.842 5.595 -17.271 1.00 15.13 N ATOM 656 CA SER A 323 1.191 5.471 -15.839 1.00 10.91 C ATOM 657 C SER A 323 0.269 4.539 -15.067 1.00 14.13 C ATOM 658 O SER A 323 -0.936 4.745 -15.019 1.00 17.67 O ATOM 659 CB SER A 323 1.172 6.835 -15.155 1.00 14.88 C ATOM 660 OG SER A 323 2.121 7.706 -15.750 1.00 17.94 O ATOM 661 HG SER A 323 3.026 7.315 -15.662 1.00 0.00 H ATOM 662 H SER A 323 0.368 6.452 -17.622 1.00 0.00 H ATOM 663 N LEU A 324 0.860 3.547 -14.414 1.00 9.50 N ATOM 664 CA LEU A 324 0.112 2.636 -13.552 1.00 6.01 C ATOM 665 C LEU A 324 0.478 2.755 -12.080 1.00 8.53 C ATOM 666 O LEU A 324 -0.296 2.319 -11.196 1.00 9.91 O ATOM 667 CB LEU A 324 0.346 1.174 -13.979 1.00 6.33 C ATOM 668 CG LEU A 324 -0.062 0.812 -15.396 1.00 7.96 C ATOM 669 CD1 LEU A 324 0.471 -0.609 -15.668 1.00 10.68 C ATOM 670 CD2 LEU A 324 -1.574 0.874 -15.499 1.00 10.68 C ATOM 671 H LEU A 324 1.886 3.414 -14.519 1.00 0.00 H ATOM 672 N TYR A 325 1.679 3.286 -11.823 1.00 8.19 N ATOM 673 CA TYR A 325 2.236 3.318 -10.477 1.00 9.59 C ATOM 674 C TYR A 325 2.803 4.687 -10.239 1.00 8.24 C ATOM 675 O TYR A 325 3.282 5.328 -11.172 1.00 10.04 O ATOM 676 CB TYR A 325 3.363 2.310 -10.323 1.00 8.71 C ATOM 677 CG TYR A 325 3.017 0.955 -10.858 1.00 9.63 C ATOM 678 CD1 TYR A 325 2.180 0.112 -10.156 1.00 12.15 C ATOM 679 CD2 TYR A 325 3.557 0.524 -12.061 1.00 15.03 C ATOM 680 CE1 TYR A 325 1.861 -1.142 -10.667 1.00 18.04 C ATOM 681 CE2 TYR A 325 3.266 -0.722 -12.562 1.00 16.43 C ATOM 682 CZ TYR A 325 2.419 -1.534 -11.861 1.00 12.29 C ATOM 683 OH TYR A 325 2.135 -2.782 -12.378 1.00 17.33 O ATOM 684 HH TYR A 325 1.514 -3.256 -11.770 1.00 0.00 H ATOM 685 H TYR A 325 2.231 3.688 -12.607 1.00 0.00 H ATOM 686 N ILE A 326 2.800 5.090 -8.972 1.00 9.06 N ATOM 687 CA ILE A 326 3.413 6.343 -8.552 1.00 10.38 C ATOM 688 C ILE A 326 4.615 6.009 -7.699 1.00 7.34 C ATOM 689 O ILE A 326 4.469 5.364 -6.648 1.00 9.38 O ATOM 690 CB ILE A 326 2.421 7.193 -7.757 1.00 12.23 C ATOM 691 CG1 ILE A 326 1.191 7.458 -8.635 1.00 12.87 C ATOM 692 CG2 ILE A 326 3.098 8.489 -7.280 1.00 14.13 C ATOM 693 CD1 ILE A 326 -0.043 7.878 -7.880 1.00 16.81 C ATOM 694 H ILE A 326 2.344 4.490 -8.256 1.00 0.00 H ATOM 695 N PHE A 327 5.798 6.417 -8.153 1.00 6.46 N ATOM 696 CA PHE A 327 7.030 6.150 -7.417 1.00 6.83 C ATOM 697 C PHE A 327 6.963 6.613 -5.972 1.00 10.50 C ATOM 698 O PHE A 327 6.555 7.762 -5.715 1.00 9.86 O ATOM 699 CB PHE A 327 8.194 6.854 -8.106 1.00 9.84 C ATOM 700 CG PHE A 327 9.524 6.599 -7.457 1.00 7.39 C ATOM 701 CD1 PHE A 327 9.994 7.423 -6.450 1.00 8.07 C ATOM 702 CD2 PHE A 327 10.318 5.537 -7.878 1.00 7.80 C ATOM 703 CE1 PHE A 327 11.230 7.169 -5.854 1.00 12.09 C ATOM 704 CE2 PHE A 327 11.542 5.303 -7.311 1.00 9.04 C ATOM 705 CZ PHE A 327 11.998 6.121 -6.297 1.00 14.79 C ATOM 706 H PHE A 327 5.846 6.938 -9.052 1.00 0.00 H ATOM 707 N ARG A 328 7.374 5.756 -5.024 1.00 7.34 N ATOM 708 CA ARG A 328 7.431 6.191 -3.629 1.00 5.90 C ATOM 709 C ARG A 328 8.805 5.988 -3.019 1.00 9.06 C ATOM 710 O ARG A 328 9.286 6.835 -2.257 1.00 10.40 O ATOM 711 CB ARG A 328 6.382 5.462 -2.787 1.00 10.34 C ATOM 712 CG ARG A 328 4.953 5.853 -3.113 1.00 9.70 C ATOM 713 CD ARG A 328 4.674 7.357 -2.957 1.00 16.58 C ATOM 714 NE ARG A 328 5.311 7.886 -1.766 1.00 18.83 N ATOM 715 CZ ARG A 328 5.964 9.043 -1.712 1.00 41.98 C ATOM 716 NH1 ARG A 328 6.057 9.808 -2.794 1.00 28.14 N ATOM 717 NH2 ARG A 328 6.522 9.432 -0.571 1.00 31.10 N ATOM 718 HE ARG A 328 5.253 7.322 -0.894 1.00 0.00 H ATOM 719 HH12 ARG A 328 6.568 10.712 -2.749 1.00 0.00 H ATOM 720 HH11 ARG A 328 5.618 9.502 -3.686 1.00 0.00 H ATOM 721 HH22 ARG A 328 7.034 10.336 -0.524 1.00 0.00 H ATOM 722 HH21 ARG A 328 6.447 8.832 0.275 1.00 0.00 H ATOM 723 H ARG A 328 7.651 4.787 -5.281 1.00 0.00 H ATOM 724 N GLY A 329 9.474 4.887 -3.351 1.00 8.08 N ATOM 725 CA GLY A 329 10.810 4.714 -2.815 1.00 8.61 C ATOM 726 C GLY A 329 11.601 3.626 -3.502 1.00 7.73 C ATOM 727 O GLY A 329 11.041 2.817 -4.252 1.00 7.30 O ATOM 728 H GLY A 329 9.051 4.172 -3.976 1.00 0.00 H ATOM 729 N ARG A 330 12.907 3.643 -3.245 1.00 8.48 N ATOM 730 CA ARG A 330 13.835 2.651 -3.784 1.00 7.83 C ATOM 731 C ARG A 330 14.937 2.344 -2.782 1.00 9.36 C ATOM 732 O ARG A 330 15.327 3.188 -1.975 1.00 7.61 O ATOM 733 CB ARG A 330 14.433 3.131 -5.105 1.00 9.15 C ATOM 734 CG ARG A 330 15.158 4.474 -4.998 1.00 10.85 C ATOM 735 CD ARG A 330 15.599 4.976 -6.366 1.00 8.99 C ATOM 736 NE ARG A 330 16.793 4.288 -6.830 1.00 7.02 N ATOM 737 CZ ARG A 330 17.239 4.332 -8.086 1.00 9.43 C ATOM 738 NH1 ARG A 330 16.579 5.026 -9.018 1.00 9.31 N ATOM 739 NH2 ARG A 330 18.339 3.662 -8.419 1.00 12.51 N ATOM 740 HE ARG A 330 17.332 3.727 -6.140 1.00 0.00 H ATOM 741 HH12 ARG A 330 16.935 5.054 -9.995 1.00 0.00 H ATOM 742 HH11 ARG A 330 15.709 5.538 -8.767 1.00 0.00 H ATOM 743 HH22 ARG A 330 18.691 3.693 -9.397 1.00 0.00 H ATOM 744 HH21 ARG A 330 18.847 3.107 -7.701 1.00 0.00 H ATOM 745 H ARG A 330 13.284 4.395 -2.634 1.00 0.00 H ATOM 746 N ILE A 331 15.419 1.113 -2.822 1.00 7.74 N ATOM 747 CA ILE A 331 16.492 0.651 -1.939 1.00 4.75 C ATOM 748 C ILE A 331 17.500 -0.145 -2.748 1.00 7.99 C ATOM 749 O ILE A 331 17.152 -1.088 -3.444 1.00 9.03 O ATOM 750 CB ILE A 331 15.960 -0.239 -0.788 1.00 5.81 C ATOM 751 CG1 ILE A 331 14.778 0.427 -0.076 1.00 8.64 C ATOM 752 CG2 ILE A 331 17.114 -0.562 0.198 1.00 9.48 C ATOM 753 CD1 ILE A 331 14.151 -0.475 1.032 1.00 10.41 C ATOM 754 H ILE A 331 15.019 0.444 -3.510 1.00 0.00 H ATOM 755 N ASN A 332 18.768 0.245 -2.637 1.00 10.20 N ATOM 756 CA ASN A 332 19.854 -0.535 -3.225 1.00 7.83 C ATOM 757 C ASN A 332 19.964 -1.808 -2.401 1.00 7.61 C ATOM 758 O ASN A 332 20.071 -1.744 -1.176 1.00 9.35 O ATOM 759 CB ASN A 332 21.131 0.309 -3.203 1.00 8.65 C ATOM 760 CG ASN A 332 22.352 -0.425 -3.767 1.00 14.77 C ATOM 761 OD1 ASN A 332 22.396 -1.649 -3.850 1.00 13.38 O ATOM 762 ND2 ASN A 332 23.366 0.348 -4.145 1.00 16.52 N ATOM 763 HD22 ASN A 332 23.292 1.382 -4.060 1.00 0.00 H ATOM 764 HD21 ASN A 332 24.233 -0.081 -4.526 1.00 0.00 H ATOM 765 H ASN A 332 18.989 1.121 -2.122 1.00 0.00 H ATOM 766 N THR A 333 19.850 -2.972 -3.039 1.00 7.23 N ATOM 767 CA THR A 333 19.740 -4.195 -2.241 1.00 7.30 C ATOM 768 C THR A 333 21.030 -4.506 -1.481 1.00 8.79 C ATOM 769 O THR A 333 21.012 -5.284 -0.537 1.00 10.83 O ATOM 770 CB THR A 333 19.315 -5.392 -3.116 1.00 8.96 C ATOM 771 OG1 THR A 333 20.197 -5.523 -4.237 1.00 9.90 O ATOM 772 CG2 THR A 333 17.886 -5.199 -3.573 1.00 6.47 C ATOM 773 HG1 THR A 333 19.914 -6.294 -4.790 1.00 0.00 H ATOM 774 H THR A 333 19.839 -3.011 -4.078 1.00 0.00 H ATOM 775 N GLU A 334 22.130 -3.882 -1.891 1.00 8.72 N ATOM 776 CA GLU A 334 23.408 -4.036 -1.191 1.00 10.25 C ATOM 777 C GLU A 334 23.345 -3.425 0.211 1.00 17.87 C ATOM 778 O GLU A 334 24.162 -3.757 1.076 1.00 20.85 O ATOM 779 CB GLU A 334 24.530 -3.365 -1.983 1.00 16.54 C ATOM 780 CG GLU A 334 24.842 -4.035 -3.305 1.00 19.13 C ATOM 781 CD GLU A 334 26.239 -4.627 -3.332 1.00 52.39 C ATOM 782 OE1 GLU A 334 27.200 -3.835 -3.289 1.00 39.75 O ATOM 783 OE2 GLU A 334 26.379 -5.874 -3.390 1.00 51.00 O ATOM 784 H GLU A 334 22.082 -3.269 -2.730 1.00 0.00 H ATOM 785 N VAL A 335 22.388 -2.520 0.428 1.00 12.39 N ATOM 786 CA VAL A 335 22.201 -1.897 1.739 1.00 10.86 C ATOM 787 C VAL A 335 20.779 -2.176 2.248 1.00 16.77 C ATOM 788 O VAL A 335 20.140 -1.335 2.892 1.00 23.96 O ATOM 789 CB VAL A 335 22.483 -0.374 1.693 1.00 15.73 C ATOM 790 CG1 VAL A 335 23.980 -0.140 1.386 1.00 16.34 C ATOM 791 CG2 VAL A 335 21.633 0.326 0.637 1.00 19.53 C ATOM 792 H VAL A 335 21.759 -2.251 -0.355 1.00 0.00 H ATOM 793 N MET A 336 20.282 -3.364 1.930 1.00 11.30 N ATOM 794 CA MET A 336 18.987 -3.811 2.426 1.00 12.64 C ATOM 795 C MET A 336 19.167 -5.039 3.309 1.00 15.90 C ATOM 796 O MET A 336 19.947 -5.933 2.956 1.00 19.94 O ATOM 797 CB MET A 336 18.067 -4.143 1.261 1.00 11.16 C ATOM 798 CG MET A 336 16.636 -4.384 1.667 1.00 11.74 C ATOM 799 SD MET A 336 15.635 -4.764 0.220 1.00 13.49 S ATOM 800 CE MET A 336 16.036 -6.503 -0.037 1.00 14.55 C ATOM 801 H MET A 336 20.831 -3.993 1.310 1.00 0.00 H ATOM 802 N GLU A 337 18.524 -5.053 4.477 1.00 10.10 N ATOM 803 CA GLU A 337 18.477 -6.269 5.294 1.00 10.90 C ATOM 804 C GLU A 337 17.024 -6.691 5.461 1.00 9.59 C ATOM 805 O GLU A 337 16.108 -5.872 5.377 1.00 11.21 O ATOM 806 CB GLU A 337 19.141 -6.060 6.655 1.00 18.94 C ATOM 807 CG GLU A 337 20.560 -5.547 6.544 1.00 23.11 C ATOM 808 CD GLU A 337 21.162 -5.151 7.882 1.00 37.99 C ATOM 809 OE1 GLU A 337 20.406 -4.723 8.786 1.00 33.72 O ATOM 810 OE2 GLU A 337 22.404 -5.198 7.996 1.00 39.39 O ATOM 811 H GLU A 337 18.050 -4.190 4.813 1.00 0.00 H ATOM 812 N VAL A 338 16.819 -7.976 5.701 1.00 12.51 N ATOM 813 CA VAL A 338 15.484 -8.500 5.879 1.00 9.70 C ATOM 814 C VAL A 338 15.430 -9.321 7.160 1.00 15.76 C ATOM 815 O VAL A 338 16.373 -10.047 7.480 1.00 18.35 O ATOM 816 CB VAL A 338 15.079 -9.362 4.672 1.00 15.25 C ATOM 817 CG1 VAL A 338 13.696 -9.959 4.873 1.00 20.83 C ATOM 818 CG2 VAL A 338 15.124 -8.531 3.392 1.00 21.23 C ATOM 819 H VAL A 338 17.633 -8.620 5.763 1.00 0.00 H ATOM 820 N GLU A 339 14.337 -9.207 7.896 1.00 13.26 N ATOM 821 CA GLU A 339 14.141 -9.996 9.107 1.00 10.59 C ATOM 822 C GLU A 339 12.762 -10.630 9.070 1.00 13.74 C ATOM 823 O GLU A 339 11.773 -9.947 8.792 1.00 13.31 O ATOM 824 CB GLU A 339 14.281 -9.132 10.363 1.00 12.82 C ATOM 825 CG GLU A 339 13.844 -9.830 11.651 1.00 25.39 C ATOM 826 CD GLU A 339 14.243 -9.073 12.904 1.00 42.24 C ATOM 827 OE1 GLU A 339 14.420 -7.831 12.843 1.00 40.92 O ATOM 828 OE2 GLU A 339 14.351 -9.726 13.963 1.00 38.00 O ATOM 829 H GLU A 339 13.597 -8.537 7.603 1.00 0.00 H ATOM 830 N ASN A 340 12.685 -11.927 9.368 1.00 12.89 N ATOM 831 CA ASN A 340 11.375 -12.560 9.447 1.00 11.88 C ATOM 832 C ASN A 340 10.566 -11.996 10.612 1.00 15.40 C ATOM 833 O ASN A 340 11.115 -11.510 11.616 1.00 17.09 O ATOM 834 CB ASN A 340 11.525 -14.079 9.615 1.00 14.95 C ATOM 835 CG ASN A 340 10.203 -14.805 9.548 1.00 17.55 C ATOM 836 OD1 ASN A 340 9.422 -14.598 8.628 1.00 15.11 O ATOM 837 ND2 ASN A 340 9.940 -15.662 10.532 1.00 20.33 N ATOM 838 HD22 ASN A 340 10.633 -15.807 11.294 1.00 0.00 H ATOM 839 HD21 ASN A 340 9.042 -16.186 10.539 1.00 0.00 H ATOM 840 H ASN A 340 13.549 -12.480 9.542 1.00 0.00 H ATOM 841 N VAL A 341 9.243 -12.015 10.470 1.00 13.02 N ATOM 842 CA VAL A 341 8.352 -11.727 11.593 1.00 14.79 C ATOM 843 C VAL A 341 7.416 -12.925 11.769 1.00 11.77 C ATOM 844 O VAL A 341 6.822 -13.387 10.803 1.00 11.97 O ATOM 845 CB VAL A 341 7.527 -10.440 11.374 1.00 11.20 C ATOM 846 CG1 VAL A 341 6.483 -10.274 12.480 1.00 15.06 C ATOM 847 CG2 VAL A 341 8.442 -9.210 11.323 1.00 11.91 C ATOM 848 H VAL A 341 8.834 -12.239 9.540 1.00 0.00 H ATOM 849 N GLU A 342 7.299 -13.432 12.996 1.00 16.48 N ATOM 850 CA GLU A 342 6.385 -14.540 13.262 1.00 13.79 C ATOM 851 C GLU A 342 4.926 -14.072 13.303 1.00 15.83 C ATOM 852 O GLU A 342 4.619 -12.996 13.813 1.00 15.93 O ATOM 853 CB GLU A 342 6.738 -15.218 14.591 1.00 22.99 C ATOM 854 CG GLU A 342 8.191 -15.618 14.740 1.00 31.24 C ATOM 855 CD GLU A 342 8.474 -17.014 14.237 1.00 54.76 C ATOM 856 OE1 GLU A 342 7.821 -17.446 13.264 1.00 38.26 O ATOM 857 OE2 GLU A 342 9.352 -17.682 14.828 1.00 65.62 O ATOM 858 H GLU A 342 7.865 -13.034 13.773 1.00 0.00 H ATOM 859 N ASP A 343 4.035 -14.907 12.779 1.00 15.50 N ATOM 860 CA ASP A 343 2.612 -14.626 12.797 1.00 15.70 C ATOM 861 C ASP A 343 2.196 -14.369 14.245 1.00 18.18 C ATOM 862 O ASP A 343 2.686 -15.048 15.155 1.00 20.44 O ATOM 863 CB ASP A 343 1.815 -15.803 12.227 1.00 14.08 C ATOM 864 CG ASP A 343 1.823 -15.853 10.714 1.00 18.64 C ATOM 865 OD1 ASP A 343 2.416 -14.959 10.060 1.00 13.56 O ATOM 866 OD2 ASP A 343 1.263 -16.823 10.166 1.00 20.61 O ATOM 867 H ASP A 343 4.368 -15.790 12.342 1.00 0.00 H ATOM 868 N GLY A 344 1.340 -13.375 14.440 1.00 17.95 N ATOM 869 CA GLY A 344 0.799 -13.043 15.755 1.00 22.00 C ATOM 870 C GLY A 344 1.552 -11.939 16.469 1.00 23.03 C ATOM 871 O GLY A 344 1.105 -11.404 17.490 1.00 21.23 O ATOM 872 H GLY A 344 1.041 -12.808 13.621 1.00 0.00 H ATOM 873 N THR A 345 2.712 -11.586 15.942 1.00 17.67 N ATOM 874 CA THR A 345 3.459 -10.452 16.489 1.00 14.52 C ATOM 875 C THR A 345 2.639 -9.205 16.369 1.00 18.64 C ATOM 876 O THR A 345 2.044 -8.937 15.333 1.00 16.51 O ATOM 877 CB THR A 345 4.802 -10.275 15.744 1.00 13.04 C ATOM 878 OG1 THR A 345 5.577 -11.468 15.900 1.00 20.74 O ATOM 879 CG2 THR A 345 5.583 -9.041 16.260 1.00 19.08 C ATOM 880 HG1 THR A 345 5.080 -12.235 15.519 1.00 0.00 H ATOM 881 H THR A 345 3.096 -12.117 15.134 1.00 0.00 H ATOM 882 N ALA A 346 2.612 -8.417 17.433 1.00 15.12 N ATOM 883 CA ALA A 346 1.985 -7.123 17.364 1.00 15.41 C ATOM 884 C ALA A 346 2.834 -6.226 18.229 1.00 26.00 C ATOM 885 O ALA A 346 2.960 -6.442 19.427 1.00 34.57 O ATOM 886 CB ALA A 346 0.530 -7.166 17.855 1.00 17.49 C ATOM 887 H ALA A 346 3.046 -8.735 18.323 1.00 0.00 H ATOM 888 N ASP A 347 3.463 -5.253 17.601 1.00 17.69 N ATOM 889 CA ASP A 347 4.299 -4.300 18.333 1.00 13.22 C ATOM 890 C ASP A 347 4.321 -3.010 17.536 1.00 18.21 C ATOM 891 O ASP A 347 3.604 -2.869 16.552 1.00 14.02 O ATOM 892 CB ASP A 347 5.713 -4.856 18.615 1.00 16.50 C ATOM 893 CG ASP A 347 6.557 -5.076 17.368 1.00 19.43 C ATOM 894 OD1 ASP A 347 6.278 -4.503 16.310 1.00 16.04 O ATOM 895 OD2 ASP A 347 7.567 -5.808 17.459 1.00 26.78 O ATOM 896 H ASP A 347 3.364 -5.161 16.570 1.00 0.00 H ATOM 897 N TYR A 348 5.106 -2.040 17.979 1.00 15.14 N ATOM 898 CA TYR A 348 5.063 -0.727 17.362 1.00 16.24 C ATOM 899 C TYR A 348 5.401 -0.755 15.842 1.00 13.44 C ATOM 900 O TYR A 348 4.984 0.136 15.102 1.00 14.91 O ATOM 901 CB TYR A 348 5.967 0.240 18.130 1.00 14.69 C ATOM 902 CG TYR A 348 7.415 0.141 17.773 1.00 15.20 C ATOM 903 CD1 TYR A 348 8.231 -0.812 18.350 1.00 14.46 C ATOM 904 CD2 TYR A 348 7.966 1.006 16.839 1.00 12.89 C ATOM 905 CE1 TYR A 348 9.577 -0.899 18.010 1.00 14.90 C ATOM 906 CE2 TYR A 348 9.301 0.925 16.498 1.00 11.33 C ATOM 907 CZ TYR A 348 10.093 -0.016 17.077 1.00 13.45 C ATOM 908 OH TYR A 348 11.421 -0.080 16.730 1.00 18.60 O ATOM 909 HH TYR A 348 11.858 -0.811 17.234 1.00 0.00 H ATOM 910 H TYR A 348 5.755 -2.220 18.771 1.00 0.00 H ATOM 911 N HIS A 349 6.161 -1.754 15.390 1.00 15.67 N ATOM 912 CA HIS A 349 6.524 -1.828 13.967 1.00 15.47 C ATOM 913 C HIS A 349 5.329 -1.984 13.055 1.00 14.26 C ATOM 914 O HIS A 349 5.381 -1.588 11.885 1.00 14.94 O ATOM 915 CB HIS A 349 7.439 -3.015 13.721 1.00 13.59 C ATOM 916 CG HIS A 349 8.819 -2.856 14.286 1.00 18.82 C ATOM 917 ND1 HIS A 349 9.695 -1.910 13.828 1.00 17.49 N ATOM 918 CD2 HIS A 349 9.444 -3.518 15.292 1.00 23.60 C ATOM 919 CE1 HIS A 349 10.838 -2.014 14.500 1.00 19.33 C ATOM 920 NE2 HIS A 349 10.703 -2.968 15.396 1.00 23.35 N ATOM 921 H HIS A 349 6.499 -2.485 16.048 1.00 0.00 H ATOM 922 N SER A 350 4.256 -2.553 13.593 1.00 15.09 N ATOM 923 CA SER A 350 3.025 -2.710 12.837 1.00 14.22 C ATOM 924 C SER A 350 1.908 -1.835 13.370 1.00 14.60 C ATOM 925 O SER A 350 0.720 -2.124 13.157 1.00 15.14 O ATOM 926 CB SER A 350 2.608 -4.188 12.835 1.00 13.82 C ATOM 927 OG SER A 350 2.398 -4.638 14.162 1.00 15.05 O ATOM 928 HG SER A 350 3.236 -4.537 14.680 1.00 0.00 H ATOM 929 H SER A 350 4.298 -2.893 14.575 1.00 0.00 H ATOM 930 N ASN A 351 2.304 -0.795 14.109 1.00 17.17 N ATOM 931 CA ASN A 351 1.341 0.122 14.714 1.00 16.28 C ATOM 932 C ASN A 351 0.427 -0.610 15.700 1.00 11.97 C ATOM 933 O ASN A 351 -0.697 -0.152 15.957 1.00 20.19 O ATOM 934 CB ASN A 351 0.491 0.851 13.666 1.00 17.98 C ATOM 935 CG ASN A 351 -0.074 2.173 14.177 1.00 62.91 C ATOM 936 OD1 ASN A 351 0.314 2.658 15.240 1.00 51.67 O ATOM 937 ND2 ASN A 351 -0.966 2.780 13.393 1.00 60.16 N ATOM 938 HD22 ASN A 351 -1.265 2.333 12.503 1.00 0.00 H ATOM 939 HD21 ASN A 351 -1.362 3.700 13.672 1.00 0.00 H ATOM 940 H ASN A 351 3.321 -0.635 14.257 1.00 0.00 H ATOM 941 N GLY A 352 0.891 -1.726 16.261 1.00 11.84 N ATOM 942 CA GLY A 352 0.048 -2.475 17.171 1.00 11.83 C ATOM 943 C GLY A 352 -0.935 -3.455 16.536 1.00 13.55 C ATOM 944 O GLY A 352 -1.644 -4.181 17.244 1.00 16.02 O ATOM 945 H GLY A 352 1.853 -2.058 16.047 1.00 0.00 H ATOM 946 N TYR A 353 -0.951 -3.525 15.208 1.00 14.28 N ATOM 947 CA TYR A 353 -1.813 -4.498 14.536 1.00 14.02 C ATOM 948 C TYR A 353 -1.092 -5.843 14.479 1.00 19.71 C ATOM 949 O TYR A 353 0.140 -5.930 14.472 1.00 14.43 O ATOM 950 CB TYR A 353 -2.195 -4.028 13.117 1.00 15.26 C ATOM 951 CG TYR A 353 -3.156 -2.869 13.116 1.00 15.18 C ATOM 952 CD1 TYR A 353 -4.525 -3.075 13.281 1.00 17.90 C ATOM 953 CD2 TYR A 353 -2.688 -1.567 13.049 1.00 21.31 C ATOM 954 CE1 TYR A 353 -5.404 -2.009 13.319 1.00 21.32 C ATOM 955 CE2 TYR A 353 -3.558 -0.500 13.091 1.00 26.24 C ATOM 956 CZ TYR A 353 -4.915 -0.728 13.224 1.00 25.12 C ATOM 957 OH TYR A 353 -5.783 0.335 13.267 1.00 31.45 O ATOM 958 HH TYR A 353 -6.709 -0.001 13.364 1.00 0.00 H ATOM 959 H TYR A 353 -0.351 -2.888 14.647 1.00 0.00 H ATOM 960 N THR A 354 -1.867 -6.911 14.429 1.00 12.62 N ATOM 961 CA THR A 354 -1.280 -8.231 14.420 1.00 9.95 C ATOM 962 C THR A 354 -0.716 -8.515 13.031 1.00 15.24 C ATOM 963 O THR A 354 -1.394 -8.313 12.023 1.00 15.08 O ATOM 964 CB THR A 354 -2.312 -9.312 14.799 1.00 20.74 C ATOM 965 OG1 THR A 354 -2.821 -9.023 16.111 1.00 20.63 O ATOM 966 CG2 THR A 354 -1.639 -10.685 14.826 1.00 21.87 C ATOM 967 HG1 THR A 354 -3.485 -9.712 16.365 1.00 0.00 H ATOM 968 H THR A 354 -2.901 -6.802 14.396 1.00 0.00 H ATOM 969 N VAL A 355 0.543 -8.936 12.980 1.00 12.65 N ATOM 970 CA VAL A 355 1.169 -9.288 11.701 1.00 12.42 C ATOM 971 C VAL A 355 0.931 -10.746 11.356 1.00 14.81 C ATOM 972 O VAL A 355 1.126 -11.615 12.197 1.00 14.36 O ATOM 973 CB VAL A 355 2.671 -9.028 11.751 1.00 11.47 C ATOM 974 CG1 VAL A 355 3.372 -9.477 10.440 1.00 8.92 C ATOM 975 CG2 VAL A 355 2.901 -7.570 11.996 1.00 11.99 C ATOM 976 H VAL A 355 1.092 -9.017 13.859 1.00 0.00 H ATOM 977 N THR A 356 0.463 -11.005 10.139 1.00 9.87 N ATOM 978 CA THR A 356 0.571 -12.356 9.598 1.00 11.73 C ATOM 979 C THR A 356 1.164 -12.260 8.195 1.00 8.72 C ATOM 980 O THR A 356 0.943 -11.276 7.479 1.00 7.77 O ATOM 981 CB THR A 356 -0.774 -13.104 9.525 1.00 24.13 C ATOM 982 OG1 THR A 356 -1.692 -12.331 8.759 1.00 15.18 O ATOM 983 CG2 THR A 356 -1.343 -13.352 10.916 1.00 28.36 C ATOM 984 HG1 THR A 356 -1.822 -11.450 9.192 1.00 0.00 H ATOM 985 H THR A 356 0.023 -10.250 9.576 1.00 0.00 H ATOM 986 N ASN A 357 1.894 -13.299 7.808 1.00 10.97 N ATOM 987 CA ASN A 357 2.556 -13.331 6.505 1.00 12.06 C ATOM 988 C ASN A 357 3.427 -12.108 6.291 1.00 8.51 C ATOM 989 O ASN A 357 3.522 -11.586 5.165 1.00 7.38 O ATOM 990 CB ASN A 357 1.527 -13.438 5.377 1.00 8.86 C ATOM 991 CG ASN A 357 0.528 -14.556 5.621 1.00 10.69 C ATOM 992 OD1 ASN A 357 0.916 -15.650 5.998 1.00 12.38 O ATOM 993 ND2 ASN A 357 -0.757 -14.275 5.411 1.00 16.48 N ATOM 994 HD22 ASN A 357 -1.036 -13.326 5.089 1.00 0.00 H ATOM 995 HD21 ASN A 357 -1.481 -15.004 5.569 1.00 0.00 H ATOM 996 H ASN A 357 1.998 -14.112 8.449 1.00 0.00 H ATOM 997 N GLY A 358 4.130 -11.704 7.342 1.00 9.09 N ATOM 998 CA GLY A 358 4.911 -10.473 7.269 1.00 7.44 C ATOM 999 C GLY A 358 6.394 -10.620 7.558 1.00 8.92 C ATOM 1000 O GLY A 358 6.886 -11.680 7.968 1.00 8.36 O ATOM 1001 H GLY A 358 4.124 -12.265 8.218 1.00 0.00 H ATOM 1002 N TRP A 359 7.118 -9.544 7.290 1.00 8.20 N ATOM 1003 CA TRP A 359 8.553 -9.472 7.565 1.00 9.07 C ATOM 1004 C TRP A 359 8.951 -8.012 7.646 1.00 10.92 C ATOM 1005 O TRP A 359 8.135 -7.129 7.405 1.00 8.74 O ATOM 1006 CB TRP A 359 9.364 -10.203 6.496 1.00 8.87 C ATOM 1007 CG TRP A 359 9.250 -9.642 5.103 1.00 6.02 C ATOM 1008 CD1 TRP A 359 10.128 -8.795 4.476 1.00 8.76 C ATOM 1009 CD2 TRP A 359 8.233 -9.952 4.146 1.00 7.57 C ATOM 1010 NE1 TRP A 359 9.679 -8.520 3.191 1.00 9.48 N ATOM 1011 CE2 TRP A 359 8.525 -9.222 2.972 1.00 9.46 C ATOM 1012 CE3 TRP A 359 7.082 -10.745 4.179 1.00 5.84 C ATOM 1013 CZ2 TRP A 359 7.717 -9.290 1.838 1.00 6.64 C ATOM 1014 CZ3 TRP A 359 6.270 -10.799 3.043 1.00 8.50 C ATOM 1015 CH2 TRP A 359 6.592 -10.061 1.892 1.00 6.86 C ATOM 1016 HE1 TRP A 359 10.142 -7.886 2.509 1.00 0.00 H ATOM 1017 H TRP A 359 6.648 -8.718 6.868 1.00 0.00 H ATOM 1018 N LYS A 360 10.194 -7.745 8.036 1.00 7.64 N ATOM 1019 CA LYS A 360 10.702 -6.377 8.075 1.00 7.59 C ATOM 1020 C LYS A 360 11.822 -6.170 7.072 1.00 7.57 C ATOM 1021 O LYS A 360 12.595 -7.091 6.786 1.00 9.56 O ATOM 1022 CB LYS A 360 11.211 -5.995 9.476 1.00 12.48 C ATOM 1023 CG LYS A 360 10.143 -6.023 10.559 1.00 15.19 C ATOM 1024 CD LYS A 360 10.684 -5.607 11.941 1.00 28.09 C ATOM 1025 CE LYS A 360 11.417 -6.719 12.656 1.00 29.97 C ATOM 1026 NZ LYS A 360 11.374 -6.530 14.161 1.00 25.16 N ATOM 1027 HZ1 LYS A 360 11.823 -5.625 14.408 1.00 0.00 H ATOM 1028 HZ2 LYS A 360 10.384 -6.527 14.481 1.00 0.00 H ATOM 1029 HZ3 LYS A 360 11.886 -7.309 14.622 1.00 0.00 H ATOM 1030 H LYS A 360 10.818 -8.528 8.319 1.00 0.00 H ATOM 1031 N ILE A 361 11.868 -4.954 6.537 1.00 7.49 N ATOM 1032 CA ILE A 361 12.931 -4.489 5.641 1.00 7.71 C ATOM 1033 C ILE A 361 13.681 -3.354 6.305 1.00 10.07 C ATOM 1034 O ILE A 361 13.060 -2.416 6.833 1.00 11.68 O ATOM 1035 CB ILE A 361 12.371 -3.989 4.289 1.00 8.44 C ATOM 1036 CG1 ILE A 361 11.672 -5.118 3.539 1.00 11.65 C ATOM 1037 CG2 ILE A 361 13.488 -3.408 3.402 1.00 9.33 C ATOM 1038 CD1 ILE A 361 12.594 -6.203 3.110 1.00 10.34 C ATOM 1039 H ILE A 361 11.101 -4.291 6.769 1.00 0.00 H ATOM 1040 N HIS A 362 15.005 -3.440 6.285 1.00 9.31 N ATOM 1041 CA HIS A 362 15.884 -2.392 6.820 1.00 12.56 C ATOM 1042 C HIS A 362 16.580 -1.724 5.657 1.00 11.36 C ATOM 1043 O HIS A 362 17.333 -2.372 4.927 1.00 11.89 O ATOM 1044 CB HIS A 362 16.925 -2.988 7.778 1.00 14.79 C ATOM 1045 CG HIS A 362 17.687 -1.962 8.565 1.00 15.78 C ATOM 1046 ND1 HIS A 362 18.822 -2.299 9.302 1.00 21.79 N ATOM 1047 CD2 HIS A 362 17.511 -0.644 8.755 1.00 16.96 C ATOM 1048 CE1 HIS A 362 19.284 -1.224 9.895 1.00 17.35 C ATOM 1049 NE2 HIS A 362 18.513 -0.193 9.586 1.00 16.56 N ATOM 1050 H HIS A 362 15.441 -4.289 5.871 1.00 0.00 H ATOM 1051 N ASN A 363 16.299 -0.438 5.458 1.00 10.09 N ATOM 1052 CA ASN A 363 17.074 0.354 4.529 1.00 14.75 C ATOM 1053 C ASN A 363 18.229 0.917 5.374 1.00 16.03 C ATOM 1054 O ASN A 363 18.035 1.887 6.140 1.00 18.89 O ATOM 1055 CB ASN A 363 16.241 1.457 3.880 1.00 18.09 C ATOM 1056 CG ASN A 363 17.075 2.362 2.975 1.00 14.56 C ATOM 1057 OD1 ASN A 363 18.312 2.294 2.967 1.00 27.45 O ATOM 1058 ND2 ASN A 363 16.406 3.170 2.172 1.00 26.28 N ATOM 1059 HD22 ASN A 363 15.367 3.197 2.210 1.00 0.00 H ATOM 1060 HD21 ASN A 363 16.918 3.779 1.502 1.00 0.00 H ATOM 1061 H ASN A 363 15.513 0.002 5.977 1.00 0.00 H ATOM 1062 N THR A 364 19.398 0.292 5.265 1.00 15.03 N ATOM 1063 CA THR A 364 20.507 0.657 6.136 1.00 15.94 C ATOM 1064 C THR A 364 21.137 1.988 5.731 1.00 21.54 C ATOM 1065 O THR A 364 21.816 2.603 6.542 1.00 20.96 O ATOM 1066 CB THR A 364 21.599 -0.435 6.189 1.00 16.87 C ATOM 1067 OG1 THR A 364 22.265 -0.561 4.926 1.00 17.87 O ATOM 1068 CG2 THR A 364 20.973 -1.776 6.534 1.00 16.21 C ATOM 1069 HG1 THR A 364 21.605 -0.806 4.229 1.00 0.00 H ATOM 1070 H THR A 364 19.521 -0.459 4.556 1.00 0.00 H ATOM 1071 N ALA A 365 20.940 2.426 4.487 1.00 11.29 N ATOM 1072 CA ALA A 365 21.497 3.710 4.061 1.00 13.43 C ATOM 1073 C ALA A 365 20.724 4.877 4.670 1.00 18.50 C ATOM 1074 O ALA A 365 21.254 5.996 4.784 1.00 17.92 O ATOM 1075 CB ALA A 365 21.512 3.814 2.546 1.00 13.62 C ATOM 1076 H ALA A 365 20.388 1.853 3.817 1.00 0.00 H ATOM 1077 N LYS A 366 19.451 4.643 4.991 1.00 17.04 N ATOM 1078 CA LYS A 366 18.632 5.625 5.693 1.00 22.45 C ATOM 1079 C LYS A 366 18.323 5.316 7.156 1.00 18.11 C ATOM 1080 O LYS A 366 17.558 6.049 7.781 1.00 26.48 O ATOM 1081 CB LYS A 366 17.311 5.832 4.953 1.00 20.16 C ATOM 1082 CG LYS A 366 17.485 6.381 3.564 1.00 23.25 C ATOM 1083 CD LYS A 366 16.171 6.859 2.999 1.00 50.27 C ATOM 1084 CE LYS A 366 16.353 7.367 1.585 1.00 42.91 C ATOM 1085 NZ LYS A 366 15.088 7.922 1.037 1.00 59.36 N ATOM 1086 HZ1 LYS A 366 14.360 7.179 1.029 1.00 0.00 H ATOM 1087 HZ2 LYS A 366 14.771 8.713 1.633 1.00 0.00 H ATOM 1088 HZ3 LYS A 366 15.251 8.260 0.067 1.00 0.00 H ATOM 1089 H LYS A 366 19.028 3.729 4.732 1.00 0.00 H ATOM 1090 N ASN A 367 18.893 4.239 7.682 1.00 19.23 N ATOM 1091 CA ASN A 367 18.518 3.686 8.986 1.00 19.72 C ATOM 1092 C ASN A 367 17.016 3.731 9.185 1.00 27.25 C ATOM 1093 O ASN A 367 16.507 4.286 10.163 1.00 25.78 O ATOM 1094 CB ASN A 367 19.196 4.410 10.139 1.00 30.12 C ATOM 1095 CG ASN A 367 19.152 3.588 11.409 1.00 50.56 C ATOM 1096 OD1 ASN A 367 19.064 2.350 11.355 1.00 39.95 O ATOM 1097 ND2 ASN A 367 19.163 4.258 12.550 1.00 34.85 N ATOM 1098 HD22 ASN A 367 19.238 5.295 12.543 1.00 0.00 H ATOM 1099 HD21 ASN A 367 19.096 3.747 13.454 1.00 0.00 H ATOM 1100 H ASN A 367 19.644 3.764 7.141 1.00 0.00 H ATOM 1101 N LYS A 368 16.323 3.138 8.224 1.00 21.62 N ATOM 1102 CA LYS A 368 14.873 3.145 8.185 1.00 19.19 C ATOM 1103 C LYS A 368 14.383 1.703 8.202 1.00 20.32 C ATOM 1104 O LYS A 368 14.903 0.899 7.466 1.00 15.62 O ATOM 1105 CB LYS A 368 14.438 3.879 6.912 1.00 24.94 C ATOM 1106 CG LYS A 368 12.971 3.836 6.583 1.00 33.49 C ATOM 1107 CD LYS A 368 12.150 4.671 7.520 1.00 33.26 C ATOM 1108 CE LYS A 368 10.713 4.343 7.261 1.00 33.66 C ATOM 1109 NZ LYS A 368 9.717 5.180 7.994 1.00 29.15 N ATOM 1110 HZ1 LYS A 368 9.862 5.072 9.018 1.00 0.00 H ATOM 1111 HZ2 LYS A 368 9.842 6.178 7.728 1.00 0.00 H ATOM 1112 HZ3 LYS A 368 8.756 4.871 7.744 1.00 0.00 H ATOM 1113 H LYS A 368 16.840 2.647 7.467 1.00 0.00 H ATOM 1114 N TRP A 369 13.395 1.375 9.024 1.00 18.74 N ATOM 1115 CA TRP A 369 12.808 0.032 9.017 1.00 15.32 C ATOM 1116 C TRP A 369 11.351 0.125 8.602 1.00 18.79 C ATOM 1117 O TRP A 369 10.706 1.113 8.910 1.00 20.52 O ATOM 1118 CB TRP A 369 12.851 -0.609 10.397 1.00 19.99 C ATOM 1119 CG TRP A 369 14.158 -1.071 10.876 1.00 20.32 C ATOM 1120 CD1 TRP A 369 15.092 -0.337 11.556 1.00 24.11 C ATOM 1121 CD2 TRP A 369 14.673 -2.400 10.790 1.00 18.10 C ATOM 1122 NE1 TRP A 369 16.168 -1.128 11.878 1.00 26.10 N ATOM 1123 CE2 TRP A 369 15.942 -2.400 11.418 1.00 22.50 C ATOM 1124 CE3 TRP A 369 14.201 -3.587 10.221 1.00 22.69 C ATOM 1125 CZ2 TRP A 369 16.739 -3.540 11.493 1.00 28.06 C ATOM 1126 CZ3 TRP A 369 14.996 -4.723 10.299 1.00 34.89 C ATOM 1127 CH2 TRP A 369 16.249 -4.690 10.934 1.00 28.75 C ATOM 1128 HE1 TRP A 369 17.017 -0.813 12.389 1.00 0.00 H ATOM 1129 H TRP A 369 13.029 2.087 9.688 1.00 0.00 H ATOM 1130 N PHE A 370 10.814 -0.892 7.919 1.00 10.58 N ATOM 1131 CA PHE A 370 9.364 -0.948 7.763 1.00 10.07 C ATOM 1132 C PHE A 370 8.920 -2.393 7.670 1.00 8.44 C ATOM 1133 O PHE A 370 9.738 -3.307 7.478 1.00 10.27 O ATOM 1134 CB PHE A 370 8.863 -0.158 6.547 1.00 6.84 C ATOM 1135 CG PHE A 370 9.481 -0.553 5.216 1.00 9.36 C ATOM 1136 CD1 PHE A 370 8.979 -1.597 4.460 1.00 9.29 C ATOM 1137 CD2 PHE A 370 10.494 0.228 4.672 1.00 14.60 C ATOM 1138 CE1 PHE A 370 9.534 -1.907 3.225 1.00 10.15 C ATOM 1139 CE2 PHE A 370 11.041 -0.056 3.419 1.00 15.24 C ATOM 1140 CZ PHE A 370 10.568 -1.125 2.696 1.00 14.97 C ATOM 1141 H PHE A 370 11.419 -1.630 7.506 1.00 0.00 H ATOM 1142 N VAL A 371 7.626 -2.607 7.869 1.00 9.48 N ATOM 1143 CA VAL A 371 7.062 -3.957 7.806 1.00 8.59 C ATOM 1144 C VAL A 371 6.354 -4.151 6.484 1.00 6.85 C ATOM 1145 O VAL A 371 5.721 -3.237 5.992 1.00 8.07 O ATOM 1146 CB VAL A 371 6.053 -4.207 8.958 1.00 9.90 C ATOM 1147 CG1 VAL A 371 5.198 -5.478 8.736 1.00 8.17 C ATOM 1148 CG2 VAL A 371 6.799 -4.285 10.300 1.00 10.84 C ATOM 1149 H VAL A 371 7.001 -1.801 8.073 1.00 0.00 H ATOM 1150 N CYS A 372 6.524 -5.331 5.900 1.00 6.50 N ATOM 1151 CA CYS A 372 5.738 -5.779 4.752 1.00 8.57 C ATOM 1152 C CYS A 372 4.842 -6.913 5.177 1.00 5.85 C ATOM 1153 O CYS A 372 5.297 -7.793 5.897 1.00 7.89 O ATOM 1154 CB CYS A 372 6.633 -6.314 3.648 1.00 7.71 C ATOM 1155 SG CYS A 372 7.690 -5.113 2.907 1.00 11.22 S ATOM 1156 H CYS A 372 7.253 -5.969 6.278 1.00 0.00 H ATOM 1157 N MET A 373 3.611 -6.933 4.687 1.00 5.67 N ATOM 1158 CA MET A 373 2.750 -8.102 4.862 1.00 6.79 C ATOM 1159 C MET A 373 2.136 -8.531 3.544 1.00 7.02 C ATOM 1160 O MET A 373 1.644 -7.712 2.760 1.00 8.35 O ATOM 1161 CB MET A 373 1.626 -7.834 5.848 1.00 11.42 C ATOM 1162 CG MET A 373 2.049 -7.811 7.283 1.00 10.02 C ATOM 1163 SD MET A 373 0.597 -7.395 8.274 1.00 16.31 S ATOM 1164 CE MET A 373 -0.700 -8.254 7.385 1.00 22.39 C ATOM 1165 H MET A 373 3.252 -6.105 4.170 1.00 0.00 H ATOM 1166 N ALA A 374 2.185 -9.827 3.275 1.00 6.72 N ATOM 1167 CA ALA A 374 1.510 -10.355 2.101 1.00 6.40 C ATOM 1168 C ALA A 374 0.135 -10.877 2.527 1.00 8.99 C ATOM 1169 O ALA A 374 -0.132 -11.011 3.710 1.00 11.79 O ATOM 1170 CB ALA A 374 2.336 -11.483 1.464 1.00 9.25 C ATOM 1171 H ALA A 374 2.708 -10.468 3.905 1.00 0.00 H ATOM 1172 N LYS A 375 -0.720 -11.175 1.562 1.00 11.05 N ATOM 1173 CA LYS A 375 -2.068 -11.666 1.884 1.00 9.48 C ATOM 1174 C LYS A 375 -2.054 -13.136 2.285 1.00 11.77 C ATOM 1175 O LYS A 375 -2.913 -13.613 3.056 1.00 11.18 O ATOM 1176 CB LYS A 375 -3.007 -11.432 0.717 1.00 13.41 C ATOM 1177 CG LYS A 375 -3.347 -9.961 0.515 1.00 14.66 C ATOM 1178 CD LYS A 375 -4.185 -9.754 -0.711 1.00 18.58 C ATOM 1179 CE LYS A 375 -4.334 -8.277 -1.022 1.00 22.39 C ATOM 1180 NZ LYS A 375 -5.276 -8.070 -2.159 1.00 22.45 N ATOM 1181 HZ1 LYS A 375 -4.911 -8.557 -3.003 1.00 0.00 H ATOM 1182 HZ2 LYS A 375 -6.209 -8.457 -1.910 1.00 0.00 H ATOM 1183 HZ3 LYS A 375 -5.363 -7.052 -2.355 1.00 0.00 H ATOM 1184 H LYS A 375 -0.436 -11.061 0.568 1.00 0.00 H ATOM 1185 N THR A 376 -1.076 -13.870 1.770 1.00 9.65 N ATOM 1186 CA THR A 376 -1.048 -15.318 2.011 1.00 8.14 C ATOM 1187 C THR A 376 0.358 -15.763 2.401 1.00 9.10 C ATOM 1188 O THR A 376 1.340 -15.063 2.135 1.00 9.89 O ATOM 1189 CB THR A 376 -1.472 -16.142 0.778 1.00 14.69 C ATOM 1190 OG1 THR A 376 -0.443 -16.068 -0.226 1.00 13.76 O ATOM 1191 CG2 THR A 376 -2.785 -15.656 0.190 1.00 13.78 C ATOM 1192 HG1 THR A 376 -0.716 -16.597 -1.017 1.00 0.00 H ATOM 1193 H THR A 376 -0.332 -13.421 1.198 1.00 0.00 H ATOM 1194 N ALA A 377 0.449 -16.910 3.060 1.00 8.45 N ATOM 1195 CA ALA A 377 1.746 -17.463 3.441 1.00 10.89 C ATOM 1196 C ALA A 377 2.604 -17.829 2.232 1.00 6.77 C ATOM 1197 O ALA A 377 3.819 -17.649 2.259 1.00 9.94 O ATOM 1198 CB ALA A 377 1.551 -18.684 4.320 1.00 13.18 C ATOM 1199 H ALA A 377 -0.419 -17.425 3.310 1.00 0.00 H ATOM 1200 N GLU A 378 1.968 -18.344 1.183 1.00 10.11 N ATOM 1201 CA GLU A 378 2.714 -18.728 -0.008 1.00 9.99 C ATOM 1202 C GLU A 378 3.295 -17.475 -0.674 1.00 11.01 C ATOM 1203 O GLU A 378 4.420 -17.501 -1.190 1.00 10.81 O ATOM 1204 CB GLU A 378 1.846 -19.527 -0.984 1.00 15.76 C ATOM 1205 CG GLU A 378 1.654 -21.036 -0.597 1.00 29.63 C ATOM 1206 CD GLU A 378 2.958 -21.865 -0.447 1.00 58.01 C ATOM 1207 OE1 GLU A 378 4.081 -21.325 -0.591 1.00 55.84 O ATOM 1208 OE2 GLU A 378 2.847 -23.084 -0.163 1.00 62.82 O ATOM 1209 H GLU A 378 0.936 -18.473 1.213 1.00 0.00 H ATOM 1210 N GLU A 379 2.544 -16.376 -0.658 1.00 8.47 N ATOM 1211 CA GLU A 379 3.089 -15.128 -1.197 1.00 7.24 C ATOM 1212 C GLU A 379 4.277 -14.592 -0.371 1.00 8.61 C ATOM 1213 O GLU A 379 5.289 -14.110 -0.937 1.00 7.83 O ATOM 1214 CB GLU A 379 1.991 -14.075 -1.266 1.00 8.15 C ATOM 1215 CG GLU A 379 0.981 -14.381 -2.341 1.00 18.34 C ATOM 1216 CD GLU A 379 -0.251 -13.512 -2.235 1.00 30.25 C ATOM 1217 OE1 GLU A 379 -0.294 -12.649 -1.324 1.00 25.04 O ATOM 1218 OE2 GLU A 379 -1.174 -13.709 -3.057 1.00 31.45 O ATOM 1219 H GLU A 379 1.581 -16.403 -0.267 1.00 0.00 H ATOM 1220 N LYS A 380 4.184 -14.705 0.956 1.00 8.34 N ATOM 1221 CA LYS A 380 5.313 -14.332 1.809 1.00 8.27 C ATOM 1222 C LYS A 380 6.517 -15.180 1.423 1.00 7.47 C ATOM 1223 O LYS A 380 7.637 -14.680 1.293 1.00 9.87 O ATOM 1224 CB LYS A 380 4.996 -14.521 3.280 1.00 8.90 C ATOM 1225 CG LYS A 380 6.261 -14.456 4.186 1.00 6.61 C ATOM 1226 CD LYS A 380 5.913 -14.429 5.645 1.00 7.01 C ATOM 1227 CE LYS A 380 7.167 -14.571 6.529 1.00 10.35 C ATOM 1228 NZ LYS A 380 6.816 -14.440 7.958 1.00 10.52 N ATOM 1229 HZ1 LYS A 380 6.390 -13.506 8.125 1.00 0.00 H ATOM 1230 HZ2 LYS A 380 6.136 -15.183 8.216 1.00 0.00 H ATOM 1231 HZ3 LYS A 380 7.675 -14.539 8.535 1.00 0.00 H ATOM 1232 H LYS A 380 3.306 -15.060 1.385 1.00 0.00 H ATOM 1233 N GLN A 381 6.281 -16.479 1.236 1.00 7.39 N ATOM 1234 CA GLN A 381 7.409 -17.362 0.946 1.00 8.54 C ATOM 1235 C GLN A 381 8.016 -16.992 -0.422 1.00 7.21 C ATOM 1236 O GLN A 381 9.242 -17.016 -0.577 1.00 10.70 O ATOM 1237 CB GLN A 381 6.987 -18.842 0.964 1.00 9.90 C ATOM 1238 CG GLN A 381 8.221 -19.770 0.966 1.00 13.17 C ATOM 1239 CD GLN A 381 9.109 -19.535 2.187 1.00 16.27 C ATOM 1240 OE1 GLN A 381 8.630 -19.521 3.329 1.00 22.44 O ATOM 1241 NE2 GLN A 381 10.405 -19.291 1.953 1.00 19.31 N ATOM 1242 HE22 GLN A 381 10.771 -19.312 0.980 1.00 0.00 H ATOM 1243 HE21 GLN A 381 11.046 -19.081 2.745 1.00 0.00 H ATOM 1244 H GLN A 381 5.314 -16.856 1.295 1.00 0.00 H ATOM 1245 N LYS A 382 7.178 -16.614 -1.385 1.00 7.74 N ATOM 1246 CA LYS A 382 7.686 -16.222 -2.710 1.00 9.55 C ATOM 1247 C LYS A 382 8.592 -15.020 -2.567 1.00 11.03 C ATOM 1248 O LYS A 382 9.680 -14.979 -3.187 1.00 8.03 O ATOM 1249 CB LYS A 382 6.544 -15.889 -3.674 1.00 8.41 C ATOM 1250 CG LYS A 382 5.968 -17.075 -4.397 1.00 21.01 C ATOM 1251 CD LYS A 382 4.858 -16.647 -5.338 1.00 32.84 C ATOM 1252 CE LYS A 382 5.358 -15.655 -6.376 1.00 34.76 C ATOM 1253 NZ LYS A 382 5.822 -16.337 -7.628 1.00 52.64 N ATOM 1254 HZ1 LYS A 382 6.600 -16.988 -7.399 1.00 0.00 H ATOM 1255 HZ2 LYS A 382 5.032 -16.872 -8.043 1.00 0.00 H ATOM 1256 HZ3 LYS A 382 6.154 -15.623 -8.307 1.00 0.00 H ATOM 1257 H LYS A 382 6.155 -16.595 -1.199 1.00 0.00 H ATOM 1258 N TRP A 383 8.153 -14.055 -1.740 1.00 6.71 N ATOM 1259 CA TRP A 383 8.974 -12.856 -1.525 1.00 4.43 C ATOM 1260 C TRP A 383 10.280 -13.184 -0.829 1.00 7.01 C ATOM 1261 O TRP A 383 11.342 -12.692 -1.234 1.00 8.11 O ATOM 1262 CB TRP A 383 8.189 -11.766 -0.723 1.00 7.66 C ATOM 1263 CG TRP A 383 7.385 -10.935 -1.639 1.00 7.09 C ATOM 1264 CD1 TRP A 383 6.040 -11.050 -1.909 1.00 8.34 C ATOM 1265 CD2 TRP A 383 7.878 -9.918 -2.499 1.00 4.35 C ATOM 1266 NE1 TRP A 383 5.677 -10.144 -2.884 1.00 7.78 N ATOM 1267 CE2 TRP A 383 6.804 -9.425 -3.256 1.00 4.75 C ATOM 1268 CE3 TRP A 383 9.153 -9.350 -2.697 1.00 6.17 C ATOM 1269 CZ2 TRP A 383 6.939 -8.415 -4.215 1.00 6.75 C ATOM 1270 CZ3 TRP A 383 9.293 -8.334 -3.654 1.00 9.59 C ATOM 1271 CH2 TRP A 383 8.195 -7.888 -4.393 1.00 11.69 C ATOM 1272 HE1 TRP A 383 4.721 -10.021 -3.274 1.00 0.00 H ATOM 1273 H TRP A 383 7.238 -14.157 -1.256 1.00 0.00 H ATOM 1274 N LEU A 384 10.244 -13.989 0.230 1.00 6.15 N ATOM 1275 CA LEU A 384 11.500 -14.221 0.935 1.00 6.10 C ATOM 1276 C LEU A 384 12.445 -14.994 0.025 1.00 6.40 C ATOM 1277 O LEU A 384 13.660 -14.751 0.015 1.00 8.59 O ATOM 1278 CB LEU A 384 11.279 -14.994 2.246 1.00 9.68 C ATOM 1279 CG LEU A 384 10.484 -14.235 3.325 1.00 8.87 C ATOM 1280 CD1 LEU A 384 10.379 -15.141 4.587 1.00 15.44 C ATOM 1281 CD2 LEU A 384 11.106 -12.919 3.638 1.00 13.33 C ATOM 1282 H LEU A 384 9.357 -14.434 0.542 1.00 0.00 H ATOM 1283 N ASP A 385 11.885 -15.928 -0.743 1.00 9.62 N ATOM 1284 CA ASP A 385 12.698 -16.715 -1.670 1.00 7.37 C ATOM 1285 C ASP A 385 13.344 -15.813 -2.719 1.00 8.48 C ATOM 1286 O ASP A 385 14.523 -16.000 -3.069 1.00 10.16 O ATOM 1287 CB ASP A 385 11.853 -17.806 -2.359 1.00 10.88 C ATOM 1288 CG ASP A 385 11.542 -19.011 -1.437 1.00 17.63 C ATOM 1289 OD1 ASP A 385 12.009 -19.055 -0.282 1.00 14.92 O ATOM 1290 OD2 ASP A 385 10.811 -19.915 -1.897 1.00 19.82 O ATOM 1291 H ASP A 385 10.861 -16.099 -0.683 1.00 0.00 H ATOM 1292 N ALA A 386 12.584 -14.851 -3.233 1.00 6.21 N ATOM 1293 CA ALA A 386 13.100 -13.942 -4.255 1.00 6.33 C ATOM 1294 C ALA A 386 14.185 -13.034 -3.689 1.00 6.08 C ATOM 1295 O ALA A 386 15.175 -12.731 -4.367 1.00 5.37 O ATOM 1296 CB ALA A 386 11.940 -13.101 -4.872 1.00 5.90 C ATOM 1297 H ALA A 386 11.604 -14.743 -2.902 1.00 0.00 H ATOM 1298 N ILE A 387 13.994 -12.575 -2.452 1.00 4.72 N ATOM 1299 CA ILE A 387 15.008 -11.745 -1.780 1.00 5.06 C ATOM 1300 C ILE A 387 16.321 -12.527 -1.608 1.00 6.96 C ATOM 1301 O ILE A 387 17.438 -12.026 -1.911 1.00 7.93 O ATOM 1302 CB ILE A 387 14.436 -11.236 -0.451 1.00 9.02 C ATOM 1303 CG1 ILE A 387 13.359 -10.172 -0.772 1.00 7.80 C ATOM 1304 CG2 ILE A 387 15.517 -10.684 0.469 1.00 8.74 C ATOM 1305 CD1 ILE A 387 12.524 -9.753 0.468 1.00 8.81 C ATOM 1306 H ILE A 387 13.112 -12.808 -1.952 1.00 0.00 H ATOM 1307 N ILE A 388 16.161 -13.779 -1.181 1.00 8.02 N ATOM 1308 CA ILE A 388 17.336 -14.641 -1.062 1.00 5.99 C ATOM 1309 C ILE A 388 17.997 -14.844 -2.423 1.00 9.17 C ATOM 1310 O ILE A 388 19.226 -14.753 -2.525 1.00 8.53 O ATOM 1311 CB ILE A 388 16.951 -16.017 -0.467 1.00 5.94 C ATOM 1312 CG1 ILE A 388 16.620 -15.844 1.012 1.00 12.48 C ATOM 1313 CG2 ILE A 388 18.095 -17.020 -0.632 1.00 10.50 C ATOM 1314 CD1 ILE A 388 15.818 -17.029 1.588 1.00 15.39 C ATOM 1315 H ILE A 388 15.216 -14.137 -0.936 1.00 0.00 H ATOM 1316 N ARG A 389 17.204 -15.085 -3.469 1.00 7.21 N ATOM 1317 CA ARG A 389 17.776 -15.370 -4.785 1.00 10.10 C ATOM 1318 C ARG A 389 18.496 -14.139 -5.335 1.00 8.48 C ATOM 1319 O ARG A 389 19.585 -14.237 -5.880 1.00 9.24 O ATOM 1320 CB ARG A 389 16.704 -15.857 -5.756 1.00 9.07 C ATOM 1321 CG ARG A 389 17.203 -16.119 -7.150 1.00 13.52 C ATOM 1322 CD ARG A 389 16.193 -16.967 -7.949 1.00 19.82 C ATOM 1323 NE ARG A 389 16.593 -17.079 -9.351 1.00 35.85 N ATOM 1324 CZ ARG A 389 15.928 -17.767 -10.276 1.00 47.91 C ATOM 1325 NH1 ARG A 389 14.831 -18.439 -9.946 1.00 33.00 N ATOM 1326 NH2 ARG A 389 16.373 -17.802 -11.528 1.00 41.92 N ATOM 1327 HE ARG A 389 17.459 -16.586 -9.647 1.00 0.00 H ATOM 1328 HH12 ARG A 389 14.313 -18.976 -10.670 1.00 0.00 H ATOM 1329 HH11 ARG A 389 14.490 -18.428 -8.963 1.00 0.00 H ATOM 1330 HH22 ARG A 389 15.853 -18.340 -12.250 1.00 0.00 H ATOM 1331 HH21 ARG A 389 17.242 -17.291 -11.786 1.00 0.00 H ATOM 1332 H ARG A 389 16.171 -15.070 -3.348 1.00 0.00 H ATOM 1333 N GLU A 390 17.913 -12.963 -5.136 1.00 5.62 N ATOM 1334 CA GLU A 390 18.528 -11.745 -5.643 1.00 5.04 C ATOM 1335 C GLU A 390 19.894 -11.549 -4.970 1.00 7.82 C ATOM 1336 O GLU A 390 20.914 -11.199 -5.640 1.00 8.12 O ATOM 1337 CB GLU A 390 17.603 -10.538 -5.355 1.00 5.20 C ATOM 1338 CG GLU A 390 18.164 -9.187 -5.960 1.00 9.19 C ATOM 1339 CD GLU A 390 19.241 -8.498 -5.110 1.00 7.21 C ATOM 1340 OE1 GLU A 390 19.277 -8.727 -3.878 1.00 9.45 O ATOM 1341 OE2 GLU A 390 20.010 -7.657 -5.666 1.00 9.45 O ATOM 1342 H GLU A 390 17.014 -12.912 -4.616 1.00 0.00 H ATOM 1343 N ARG A 391 19.912 -11.804 -3.650 1.00 7.67 N ATOM 1344 CA ARG A 391 21.156 -11.622 -2.907 1.00 10.24 C ATOM 1345 C ARG A 391 22.207 -12.637 -3.361 1.00 7.95 C ATOM 1346 O ARG A 391 23.377 -12.315 -3.562 1.00 10.31 O ATOM 1347 CB ARG A 391 20.913 -11.740 -1.395 1.00 10.79 C ATOM 1348 CG ARG A 391 22.202 -11.643 -0.580 1.00 13.19 C ATOM 1349 CD ARG A 391 21.928 -11.549 0.923 1.00 19.39 C ATOM 1350 NE ARG A 391 20.967 -12.547 1.393 1.00 44.34 N ATOM 1351 CZ ARG A 391 21.281 -13.780 1.786 1.00 62.37 C ATOM 1352 NH1 ARG A 391 22.545 -14.187 1.754 1.00 75.96 N ATOM 1353 NH2 ARG A 391 20.326 -14.612 2.203 1.00 26.71 N ATOM 1354 HE ARG A 391 19.964 -12.273 1.422 1.00 0.00 H ATOM 1355 HH12 ARG A 391 22.789 -15.150 2.061 1.00 0.00 H ATOM 1356 HH11 ARG A 391 23.291 -13.543 1.422 1.00 0.00 H ATOM 1357 HH22 ARG A 391 20.573 -15.575 2.510 1.00 0.00 H ATOM 1358 HH21 ARG A 391 19.335 -14.298 2.222 1.00 0.00 H ATOM 1359 H ARG A 391 19.051 -12.127 -3.164 1.00 0.00 H ATOM 1360 N GLU A 392 21.772 -13.870 -3.543 1.00 6.69 N ATOM 1361 CA GLU A 392 22.683 -14.930 -3.940 1.00 10.75 C ATOM 1362 C GLU A 392 23.278 -14.690 -5.318 1.00 14.83 C ATOM 1363 O GLU A 392 24.486 -14.872 -5.517 1.00 11.98 O ATOM 1364 CB GLU A 392 21.932 -16.256 -3.896 1.00 9.28 C ATOM 1365 CG GLU A 392 22.747 -17.450 -4.298 1.00 21.67 C ATOM 1366 CD GLU A 392 24.008 -17.630 -3.486 1.00 28.90 C ATOM 1367 OE1 GLU A 392 24.047 -17.192 -2.310 1.00 23.10 O ATOM 1368 OE2 GLU A 392 24.967 -18.208 -4.056 1.00 22.00 O ATOM 1369 H GLU A 392 20.765 -14.085 -3.400 1.00 0.00 H ATOM 1370 N GLN A 393 22.441 -14.261 -6.257 1.00 12.28 N ATOM 1371 CA GLN A 393 22.902 -13.978 -7.619 1.00 13.12 C ATOM 1372 C GLN A 393 23.916 -12.850 -7.588 1.00 12.85 C ATOM 1373 O GLN A 393 24.993 -12.918 -8.224 1.00 14.03 O ATOM 1374 CB GLN A 393 21.728 -13.629 -8.541 1.00 13.73 C ATOM 1375 CG GLN A 393 20.864 -14.841 -8.898 1.00 21.67 C ATOM 1376 CD GLN A 393 19.617 -14.467 -9.713 1.00 28.24 C ATOM 1377 OE1 GLN A 393 18.895 -15.343 -10.192 1.00 37.29 O ATOM 1378 NE2 GLN A 393 19.365 -13.162 -9.865 1.00 36.94 N ATOM 1379 HE22 GLN A 393 20.002 -12.457 -9.443 1.00 0.00 H ATOM 1380 HE21 GLN A 393 18.532 -12.853 -10.405 1.00 0.00 H ATOM 1381 H GLN A 393 21.438 -14.123 -6.020 1.00 0.00 H ATOM 1382 N ARG A 394 23.581 -11.812 -6.826 1.00 9.52 N ATOM 1383 CA ARG A 394 24.476 -10.654 -6.728 1.00 11.17 C ATOM 1384 C ARG A 394 25.841 -11.015 -6.090 1.00 9.97 C ATOM 1385 O ARG A 394 26.918 -10.608 -6.571 1.00 13.79 O ATOM 1386 CB ARG A 394 23.759 -9.566 -5.930 1.00 16.99 C ATOM 1387 CG ARG A 394 24.525 -8.340 -5.617 1.00 15.17 C ATOM 1388 CD ARG A 394 23.538 -7.225 -5.237 1.00 10.75 C ATOM 1389 NE ARG A 394 22.489 -7.648 -4.307 1.00 12.46 N ATOM 1390 CZ ARG A 394 22.653 -7.800 -2.994 1.00 12.07 C ATOM 1391 NH1 ARG A 394 23.862 -7.637 -2.457 1.00 13.06 N ATOM 1392 NH2 ARG A 394 21.627 -8.162 -2.223 1.00 10.67 N ATOM 1393 HE ARG A 394 21.547 -7.844 -4.701 1.00 0.00 H ATOM 1394 HH12 ARG A 394 23.996 -7.754 -1.432 1.00 0.00 H ATOM 1395 HH11 ARG A 394 24.671 -7.392 -3.063 1.00 0.00 H ATOM 1396 HH22 ARG A 394 21.762 -8.279 -1.198 1.00 0.00 H ATOM 1397 HH21 ARG A 394 20.692 -8.328 -2.646 1.00 0.00 H ATOM 1398 H ARG A 394 22.684 -11.822 -6.300 1.00 0.00 H ATOM 1399 N GLU A 395 25.796 -11.796 -5.014 1.00 8.59 N ATOM 1400 CA GLU A 395 27.022 -12.258 -4.364 1.00 9.07 C ATOM 1401 C GLU A 395 27.832 -13.171 -5.244 1.00 12.31 C ATOM 1402 O GLU A 395 29.052 -13.075 -5.267 1.00 13.39 O ATOM 1403 CB GLU A 395 26.730 -12.953 -3.030 1.00 12.06 C ATOM 1404 CG GLU A 395 26.247 -11.975 -1.968 1.00 17.83 C ATOM 1405 CD GLU A 395 25.737 -12.635 -0.698 1.00 40.02 C ATOM 1406 OE1 GLU A 395 25.757 -13.889 -0.588 1.00 37.30 O ATOM 1407 OE2 GLU A 395 25.369 -11.878 0.227 1.00 46.79 O ATOM 1408 H GLU A 395 24.874 -12.083 -4.629 1.00 0.00 H ATOM 1409 N SER A 396 27.176 -14.043 -5.979 1.00 8.88 N ATOM 1410 CA SER A 396 27.873 -14.947 -6.875 1.00 13.78 C ATOM 1411 C SER A 396 28.623 -14.165 -7.944 1.00 18.19 C ATOM 1412 O SER A 396 29.805 -14.450 -8.240 1.00 18.21 O ATOM 1413 CB SER A 396 26.888 -15.915 -7.520 1.00 13.44 C ATOM 1414 OG SER A 396 27.559 -16.750 -8.427 1.00 16.03 O ATOM 1415 HG SER A 396 26.911 -17.374 -8.840 1.00 0.00 H ATOM 1416 H SER A 396 26.139 -14.085 -5.917 1.00 0.00 H ATOM 1417 N LEU A 397 27.940 -13.168 -8.514 1.00 10.20 N ATOM 1418 CA LEU A 397 28.596 -12.388 -9.548 1.00 15.56 C ATOM 1419 C LEU A 397 29.792 -11.609 -8.979 1.00 19.67 C ATOM 1420 O LEU A 397 30.925 -11.648 -9.533 1.00 21.93 O ATOM 1421 CB LEU A 397 27.573 -11.432 -10.173 1.00 17.22 C ATOM 1422 CG LEU A 397 28.090 -10.512 -11.270 1.00 31.24 C ATOM 1423 CD1 LEU A 397 28.497 -11.367 -12.460 1.00 33.68 C ATOM 1424 CD2 LEU A 397 27.029 -9.505 -11.655 1.00 31.46 C ATOM 1425 H LEU A 397 26.964 -12.956 -8.224 1.00 0.00 H ATOM 1426 N LYS A 398 29.567 -10.963 -7.833 1.00 14.35 N ATOM 1427 CA LYS A 398 30.640 -10.210 -7.204 1.00 16.07 C ATOM 1428 C LYS A 398 31.839 -11.063 -6.810 1.00 16.04 C ATOM 1429 O LYS A 398 32.982 -10.704 -7.085 1.00 18.80 O ATOM 1430 CB LYS A 398 30.104 -9.501 -5.965 1.00 18.01 C ATOM 1431 CG LYS A 398 31.090 -8.593 -5.257 1.00 27.78 C ATOM 1432 CD LYS A 398 30.364 -7.767 -4.194 1.00 50.03 C ATOM 1433 CE LYS A 398 31.297 -6.811 -3.458 1.00 60.62 C ATOM 1434 NZ LYS A 398 32.209 -7.534 -2.519 1.00 64.49 N ATOM 1435 HZ1 LYS A 398 31.643 -8.045 -1.813 1.00 0.00 H ATOM 1436 HZ2 LYS A 398 32.791 -8.210 -3.054 1.00 0.00 H ATOM 1437 HZ3 LYS A 398 32.826 -6.848 -2.040 1.00 0.00 H ATOM 1438 H LYS A 398 28.626 -10.998 -7.391 1.00 0.00 H ATOM 1439 N LEU A 399 31.586 -12.224 -6.220 1.00 13.30 N ATOM 1440 CA LEU A 399 32.672 -13.047 -5.747 1.00 11.63 C ATOM 1441 C LEU A 399 33.384 -13.661 -6.921 1.00 23.89 C ATOM 1442 O LEU A 399 34.590 -13.856 -6.857 1.00 20.23 O ATOM 1443 CB LEU A 399 32.163 -14.154 -4.829 1.00 12.59 C ATOM 1444 CG LEU A 399 31.718 -13.779 -3.428 1.00 17.35 C ATOM 1445 CD1 LEU A 399 30.930 -14.941 -2.825 1.00 19.80 C ATOM 1446 CD2 LEU A 399 32.923 -13.409 -2.550 1.00 18.53 C ATOM 1447 H LEU A 399 30.603 -12.541 -6.098 1.00 0.00 H ATOM 1448 N GLY A 400 32.668 -13.873 -8.023 1.00 20.02 N ATOM 1449 CA GLY A 400 33.297 -14.432 -9.207 1.00 26.32 C ATOM 1450 C GLY A 400 34.279 -13.416 -9.758 1.00 26.91 C ATOM 1451 O GLY A 400 35.448 -13.736 -10.044 1.00 39.76 O ATOM 1452 H GLY A 400 31.655 -13.638 -8.036 1.00 0.00 H ATOM 1453 N MET A 401 33.821 -12.174 -9.888 1.00 21.04 N ATOM 1454 CA MET A 401 34.746 -11.126 -10.352 1.00 32.20 C ATOM 1455 C MET A 401 35.945 -10.876 -9.418 1.00 38.30 C ATOM 1456 O MET A 401 37.086 -10.681 -9.874 1.00 30.77 O ATOM 1457 CB MET A 401 33.998 -9.823 -10.575 1.00 32.71 C ATOM 1458 CG MET A 401 32.917 -9.953 -11.624 1.00 42.82 C ATOM 1459 SD MET A 401 32.123 -8.381 -11.950 1.00 53.64 S ATOM 1460 CE MET A 401 31.990 -7.723 -10.295 1.00 51.81 C ATOM 1461 H MET A 401 32.830 -11.948 -9.667 1.00 0.00 H ATOM 1462 N GLU A 402 35.693 -10.863 -8.116 1.00 23.31 N ATOM 1463 CA GLU A 402 36.772 -10.641 -7.150 1.00 26.54 C ATOM 1464 C GLU A 402 37.794 -11.775 -7.201 1.00 42.10 C ATOM 1465 O GLU A 402 39.002 -11.536 -7.154 1.00 36.32 O ATOM 1466 CB GLU A 402 36.206 -10.477 -5.736 1.00 20.31 C ATOM 1467 CG GLU A 402 35.411 -9.191 -5.597 1.00 18.54 C ATOM 1468 CD GLU A 402 34.732 -9.033 -4.268 1.00 28.39 C ATOM 1469 OE1 GLU A 402 34.703 -9.997 -3.479 1.00 24.19 O ATOM 1470 OE2 GLU A 402 34.236 -7.915 -4.004 1.00 32.98 O ATOM 1471 H GLU A 402 34.721 -11.012 -7.778 1.00 0.00 H ATOM 1472 N ARG A 403 37.304 -13.004 -7.320 1.00 27.21 N ATOM 1473 CA ARG A 403 38.156 -14.180 -7.445 1.00 37.49 C ATOM 1474 C ARG A 403 38.972 -14.131 -8.724 1.00 49.36 C ATOM 1475 O ARG A 403 40.123 -14.559 -8.740 1.00 47.78 O ATOM 1476 CB ARG A 403 37.315 -15.450 -7.414 1.00 46.96 C ATOM 1477 CG ARG A 403 38.114 -16.724 -7.287 1.00 50.89 C ATOM 1478 CD ARG A 403 37.208 -17.856 -6.871 1.00 39.50 C ATOM 1479 NE ARG A 403 35.907 -17.795 -7.525 1.00 54.06 N ATOM 1480 CZ ARG A 403 34.742 -17.766 -6.882 1.00 50.60 C ATOM 1481 NH1 ARG A 403 34.704 -17.784 -5.550 1.00 30.11 N ATOM 1482 NH2 ARG A 403 33.609 -17.718 -7.577 1.00 32.46 N ATOM 1483 HE ARG A 403 35.888 -17.773 -8.565 1.00 0.00 H ATOM 1484 HH12 ARG A 403 33.789 -17.761 -5.056 1.00 0.00 H ATOM 1485 HH11 ARG A 403 35.589 -17.821 -5.005 1.00 0.00 H ATOM 1486 HH22 ARG A 403 32.695 -17.695 -7.081 1.00 0.00 H ATOM 1487 HH21 ARG A 403 33.637 -17.703 -8.617 1.00 0.00 H ATOM 1488 H ARG A 403 36.272 -13.132 -7.324 1.00 0.00 H ATOM 1489 N ASP A 404 38.376 -13.617 -9.800 1.00 50.10 N ATOM 1490 CA ASP A 404 39.155 -13.362 -11.017 1.00 50.48 C ATOM 1491 C ASP A 404 40.275 -12.353 -10.788 1.00 57.69 C ATOM 1492 O ASP A 404 41.412 -12.569 -11.215 1.00 69.55 O ATOM 1493 CB ASP A 404 38.267 -12.857 -12.158 1.00 54.53 C ATOM 1494 CG ASP A 404 37.321 -13.908 -12.669 1.00 52.99 C ATOM 1495 OD1 ASP A 404 37.414 -15.071 -12.225 1.00 59.37 O ATOM 1496 OD2 ASP A 404 36.489 -13.567 -13.534 1.00 65.91 O ATOM 1497 H ASP A 404 37.360 -13.397 -9.777 1.00 0.00 H ATOM 1498 N ALA A 405 39.950 -11.245 -10.128 1.00 46.88 N ATOM 1499 CA ALA A 405 40.928 -10.177 -9.937 1.00 54.07 C ATOM 1500 C ALA A 405 42.026 -10.504 -8.907 1.00 63.28 C ATOM 1501 O ALA A 405 43.138 -9.979 -8.995 1.00 59.85 O ATOM 1502 CB ALA A 405 40.208 -8.889 -9.541 1.00 38.84 C ATOM 1503 H ALA A 405 38.989 -11.138 -9.744 1.00 0.00 H ATOM 1504 N TYR A 406 41.714 -11.375 -7.948 1.00 45.32 N ATOM 1505 CA TYR A 406 42.561 -11.587 -6.764 1.00 37.29 C ATOM 1506 C TYR A 406 43.702 -12.574 -7.018 1.00 28.75 C ATOM 1507 O TYR A 406 44.855 -12.262 -6.728 1.00 46.44 O ATOM 1508 CB TYR A 406 41.696 -12.068 -5.589 1.00 23.13 C ATOM 1509 CG TYR A 406 42.426 -12.279 -4.266 1.00 27.27 C ATOM 1510 CD1 TYR A 406 43.164 -11.253 -3.669 1.00 25.10 C ATOM 1511 CD2 TYR A 406 42.344 -13.501 -3.602 1.00 26.70 C ATOM 1512 CE1 TYR A 406 43.816 -11.457 -2.446 1.00 20.69 C ATOM 1513 CE2 TYR A 406 42.981 -13.714 -2.398 1.00 27.67 C ATOM 1514 CZ TYR A 406 43.714 -12.702 -1.818 1.00 22.65 C ATOM 1515 OH TYR A 406 44.342 -12.957 -0.610 1.00 25.79 O ATOM 1516 HH TYR A 406 44.982 -13.704 -0.723 1.00 0.00 H ATOM 1517 H TYR A 406 40.837 -11.927 -8.040 1.00 0.00 H TER 1518 TYR A 406 HETATM 1519 O HOH 1 14.181 -3.443 -30.200 1.00 30.10 O HETATM 1520 O HOH 2 0.002 -17.016 8.152 1.00 24.18 O HETATM 1521 O HOH 3 45.043 -15.208 -0.117 1.00 25.96 O HETATM 1522 O HOH 4 20.576 6.478 -14.967 1.00 19.59 O HETATM 1523 O HOH 5 32.414 -9.835 -1.635 1.00 37.06 O HETATM 1524 O HOH 6 10.279 -22.059 -0.725 1.00 28.76 O HETATM 1525 O HOH 7 4.531 7.010 -16.051 1.00 27.82 O HETATM 1526 O HOH 8 6.908 0.137 10.817 1.00 19.91 O HETATM 1527 O HOH 9 4.501 -6.010 14.699 1.00 27.05 O HETATM 1528 O HOH 10 13.788 -20.417 0.984 1.00 24.24 O HETATM 1529 O HOH 11 5.038 2.104 11.886 1.00 33.85 O HETATM 1530 O HOH 12 17.910 -9.257 -1.747 1.00 11.11 O HETATM 1531 O HOH 13 -3.223 4.532 6.184 1.00 23.64 O HETATM 1532 O HOH 14 -4.993 -5.306 -2.854 1.00 25.17 O HETATM 1533 O HOH 15 -3.790 -7.385 11.688 1.00 24.95 O HETATM 1534 O HOH 16 26.242 -16.492 -1.116 1.00 18.56 O HETATM 1535 O HOH 17 36.208 -11.816 -2.383 1.00 29.36 O HETATM 1536 O HOH 18 8.928 2.681 10.024 1.00 27.65 O HETATM 1537 O HOH 19 24.035 -19.860 -5.855 1.00 30.82 O HETATM 1538 O HOH 20 3.976 2.837 4.446 1.00 14.26 O HETATM 1539 O HOH 21 21.806 -2.742 -16.947 1.00 17.35 O HETATM 1540 O HOH 22 9.234 -21.890 4.358 1.00 30.12 O HETATM 1541 O HOH 23 8.491 11.301 -7.058 1.00 20.44 O HETATM 1542 O HOH 24 3.733 -5.900 21.922 1.00 32.72 O HETATM 1543 O HOH 25 -4.912 -12.246 4.190 1.00 26.47 O HETATM 1544 O HOH 26 -4.507 -6.535 14.225 1.00 35.13 O HETATM 1545 O HOH 27 -3.414 -14.111 7.748 1.00 31.07 O HETATM 1546 O HOH 28 9.236 -0.390 11.664 1.00 22.92 O HETATM 1547 O HOH 29 24.377 -7.760 -9.287 1.00 30.81 O HETATM 1548 O HOH 30 3.218 8.981 0.849 1.00 28.45 O HETATM 1549 O HOH 31 4.305 10.707 -4.652 1.00 27.12 O HETATM 1550 O HOH 32 11.794 -21.194 -4.078 1.00 20.64 O HETATM 1551 O HOH 33 23.927 -2.145 -6.037 1.00 27.97 O HETATM 1552 O HOH 34 26.404 -5.146 1.740 1.00 46.27 O HETATM 1553 O HOH 35 -1.649 -11.507 5.932 1.00 20.53 O HETATM 1554 O HOH 36 10.200 -16.514 -5.392 1.00 17.72 O HETATM 1555 O HOH 37 4.215 -12.906 9.865 1.00 11.32 O HETATM 1556 O HOH 38 30.950 -17.322 -7.039 1.00 27.34 O HETATM 1557 O HOH 39 5.894 10.086 -7.030 1.00 13.98 O HETATM 1558 O HOH 40 15.156 2.359 -17.521 1.00 12.17 O HETATM 1559 O HOH 41 1.603 10.367 -15.260 1.00 21.05 O HETATM 1560 O HOH 42 9.228 9.590 -2.454 1.00 36.74 O HETATM 1561 O HOH 43 15.689 -18.505 -3.101 1.00 13.14 O HETATM 1562 O HOH 44 8.872 -12.438 15.046 1.00 29.01 O HETATM 1563 O HOH 45 5.423 -19.779 -2.456 1.00 26.83 O HETATM 1564 O HOH 46 10.675 7.103 0.125 1.00 29.01 O HETATM 1565 O HOH 47 -2.580 -10.011 9.987 1.00 18.71 O HETATM 1566 O HOH 48 10.311 11.265 -12.921 1.00 19.39 O HETATM 1567 O HOH 49 -1.707 -3.936 20.005 1.00 26.17 O HETATM 1568 O HOH 50 20.807 2.376 -20.176 1.00 20.66 O HETATM 1569 O HOH 51 8.262 -19.733 -2.983 1.00 29.27 O HETATM 1570 O HOH 52 19.420 6.004 -18.855 1.00 23.35 O HETATM 1571 O HOH 53 -1.104 1.470 -3.683 1.00 22.31 O HETATM 1572 O HOH 54 17.765 4.279 0.018 1.00 30.29 O HETATM 1573 O HOH 55 8.559 -6.930 15.116 1.00 28.14 O HETATM 1574 O HOH 56 32.066 -18.173 -4.728 1.00 20.23 O HETATM 1575 O HOH 57 23.890 -2.015 -10.580 1.00 14.97 O HETATM 1576 O HOH 58 27.257 -6.018 -6.053 1.00 28.97 O HETATM 1577 O HOH 59 4.134 3.842 -20.953 1.00 27.67 O HETATM 1578 O HOH 60 24.898 -14.254 -10.750 1.00 30.45 O HETATM 1579 O HOH 61 12.994 6.404 3.141 1.00 45.03 O HETATM 1580 O HOH 62 11.543 4.567 -19.175 1.00 17.24 O HETATM 1581 O HOH 63 2.181 8.099 -20.417 1.00 34.52 O HETATM 1582 O HOH 64 21.051 -0.220 -6.858 1.00 13.88 O HETATM 1583 O HOH 65 -1.086 -17.309 -2.687 1.00 19.78 O HETATM 1584 O HOH 66 20.636 -10.210 -8.279 1.00 14.51 O HETATM 1585 O HOH 67 16.194 3.411 -20.488 1.00 19.09 O HETATM 1586 O HOH 68 27.056 -8.257 -8.176 1.00 23.03 O HETATM 1587 O HOH 69 21.352 2.177 9.331 1.00 28.54 O HETATM 1588 O HOH 70 14.409 -12.784 -12.898 1.00 24.07 O HETATM 1589 O HOH 71 4.703 -16.286 8.553 1.00 18.36 O HETATM 1590 O HOH 72 3.652 -17.755 15.162 1.00 35.48 O HETATM 1591 O HOH 73 13.285 -4.463 14.797 1.00 28.65 O HETATM 1592 O HOH 74 22.627 4.255 -9.063 1.00 36.73 O HETATM 1593 O HOH 75 0.265 -9.012 -6.009 1.00 27.56 O HETATM 1594 O HOH 76 2.868 -9.779 -3.515 1.00 16.38 O HETATM 1595 O HOH 77 11.268 -6.464 -25.044 1.00 31.33 O HETATM 1596 O HOH 78 25.080 -4.280 -6.791 1.00 26.03 O HETATM 1597 O HOH 79 34.425 -18.378 -10.322 1.00 36.44 O HETATM 1598 O HOH 80 12.130 -18.480 4.193 1.00 47.12 O HETATM 1599 O HOH 81 4.054 -9.285 19.887 1.00 34.19 O HETATM 1600 O HOH 82 4.992 -17.383 11.429 1.00 19.62 O HETATM 1601 O HOH 83 13.766 6.220 -1.996 1.00 15.60 O HETATM 1602 O HOH 84 3.684 -11.909 -6.675 1.00 32.88 O HETATM 1603 O HOH 85 19.477 2.362 -0.635 1.00 22.35 O HETATM 1604 O HOH 86 20.322 2.305 -6.624 1.00 14.77 O HETATM 1605 O HOH 87 19.199 -7.533 -19.391 1.00 27.94 O HETATM 1606 O HOH 88 13.515 -18.782 -7.243 1.00 30.70 O HETATM 1607 O HOH 89 23.072 -0.132 -19.857 1.00 30.46 O HETATM 1608 O HOH 90 22.785 3.338 -4.219 1.00 39.11 O HETATM 1609 O HOH 91 21.882 -17.737 -0.226 1.00 27.15 O HETATM 1610 O HOH 92 20.166 7.091 -7.990 1.00 19.49 O HETATM 1611 O HOH 93 19.360 -9.690 5.643 1.00 20.64 O HETATM 1612 O HOH 94 12.038 -15.938 12.758 1.00 32.45 O HETATM 1613 O HOH 95 18.783 3.555 -4.578 1.00 17.56 O HETATM 1614 O HOH 96 13.207 2.991 2.360 1.00 22.79 O HETATM 1615 O HOH 97 12.493 -15.150 -9.211 1.00 29.16 O HETATM 1616 O HOH 98 13.900 4.654 0.502 1.00 40.33 O HETATM 1617 O HOH 99 14.586 -13.454 2.811 1.00 26.02 O HETATM 1618 O HOH 100 16.709 6.087 -1.766 1.00 25.97 O HETATM 1619 O HOH 101 23.474 -8.115 0.728 1.00 32.20 O HETATM 1620 O HOH 102 -5.567 8.365 -21.281 1.00 38.18 O HETATM 1621 O HOH 103 31.423 -13.490 -12.249 1.00 34.18 O HETATM 1622 O HOH 104 1.297 8.310 -1.109 1.00 41.55 O HETATM 1623 O HOH 105 24.933 -6.399 -11.998 1.00 48.68 O HETATM 1624 O HOH 106 23.951 -2.950 -15.027 1.00 29.82 O HETATM 1625 O HOH 107 6.659 -6.479 13.365 1.00 27.13 O HETATM 1626 O HOH 108 38.672 -13.697 -4.083 1.00 26.88 O HETATM 1627 O HOH 109 22.838 -9.792 -9.714 1.00 25.82 O HETATM 1628 O HOH 110 18.962 -9.647 2.518 1.00 49.15 O HETATM 1629 O HOH 111 25.861 -3.946 -9.881 1.00 33.61 O HETATM 1630 O HOH 112 10.373 6.652 -17.664 1.00 22.71 O HETATM 1631 O HOH 113 18.473 -18.659 -3.938 1.00 18.03 O HETATM 1632 O HOH 114 29.164 -7.368 -9.274 1.00 33.93 O HETATM 1633 O HOH 115 16.770 8.451 -5.507 1.00 32.66 O HETATM 1634 O HOH 116 12.625 -16.338 -6.981 1.00 27.11 O HETATM 1635 O HOH 117 23.436 -0.534 -8.151 1.00 17.36 O HETATM 1636 O HOH 118 23.077 -4.230 -18.630 1.00 32.20 O HETATM 1637 O HOH 119 1.973 9.655 -3.713 1.00 24.40 O HETATM 1638 O HOH 120 21.979 3.672 -1.484 1.00 29.11 O HETATM 1639 O HOH 121 24.227 2.176 -8.366 1.00 32.35 O HETATM 1640 O HOH 122 20.097 -19.714 -1.952 1.00 25.66 O HETATM 1641 O HOH 123 14.682 8.172 -4.063 1.00 25.87 O HETATM 1642 C1 UNN A 124 4.550 8.732 4.897 1.00 0.15 C HETATM 1643 O1 UNN A 124 3.301 9.149 5.417 1.00 -0.27 O HETATM 1644 P1 UNN A 124 2.421 10.174 4.584 1.00 0.20 P HETATM 1645 O1P UNN A 124 1.685 9.449 3.475 1.00 -0.55 O HETATM 1646 O2P UNN A 124 3.303 11.248 3.986 1.00 -0.55 O HETATM 1647 O3P UNN A 124 1.415 10.810 5.518 1.00 -0.55 O HETATM 1648 C2 UNN A 124 4.416 7.433 4.121 1.00 0.12 C HETATM 1649 O2 UNN A 124 4.088 6.363 4.984 1.00 -0.39 O HETATM 1650 H3 UNN A 124 4.009 5.563 4.478 1.00 0.21 H HETATM 1651 C3 UNN A 124 5.710 7.144 3.359 1.00 0.15 C HETATM 1652 O3 UNN A 124 5.687 5.830 2.808 1.00 -0.27 O HETATM 1653 P3 UNN A 124 5.669 5.810 1.200 1.00 0.20 P HETATM 1654 O4P UNN A 124 4.544 6.640 0.625 1.00 -0.55 O HETATM 1655 O5P UNN A 124 5.543 4.364 0.810 1.00 -0.55 O HETATM 1656 O6P UNN A 124 7.002 6.360 0.735 1.00 -0.55 O HETATM 1657 C4 UNN A 124 7.024 7.675 4.003 1.00 0.15 C HETATM 1658 O4 UNN A 124 8.308 7.036 3.892 1.00 -0.27 O HETATM 1659 P4 UNN A 124 8.968 5.635 3.509 1.00 0.20 P HETATM 1660 O7P UNN A 124 8.308 4.489 4.259 1.00 -0.55 O HETATM 1661 O8P UNN A 124 10.385 5.831 4.024 1.00 -0.55 O HETATM 1662 O9P UNN A 124 9.013 5.457 2.002 1.00 -0.55 O HETATM 1663 C5 UNN A 124 6.941 8.392 5.382 1.00 0.15 C HETATM 1664 O5 UNN A 124 7.859 7.885 6.342 1.00 -0.27 O HETATM 1665 P5 UNN A 124 9.252 8.631 6.498 1.00 0.20 P HETATM 1666 OPF UNN A 124 10.372 7.654 6.242 1.00 -0.55 O HETATM 1667 OPG UNN A 124 9.328 9.760 5.497 1.00 -0.55 O HETATM 1668 OPH UNN A 124 9.395 9.139 7.910 1.00 -0.55 O HETATM 1669 C6 UNN A 124 5.565 8.537 6.001 1.00 0.12 C HETATM 1670 O6 UNN A 124 5.604 9.703 6.804 1.00 -0.39 O HETATM 1671 H8 UNN A 124 4.757 9.833 7.213 1.00 0.21 H HETATM 1672 H7 UNN A 124 5.311 7.653 6.605 1.00 0.07 H HETATM 1673 H6 UNN A 124 7.268 9.421 5.173 1.00 0.07 H HETATM 1674 H5 UNN A 124 7.185 8.532 3.332 1.00 0.07 H HETATM 1675 H4 UNN A 124 5.626 7.782 2.467 1.00 0.07 H HETATM 1676 H2 UNN A 124 3.602 7.547 3.390 1.00 0.07 H HETATM 1677 H1 UNN A 124 4.917 9.514 4.215 1.00 0.07 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 628 629 636 637 638 CONECT 636 628 CONECT 637 628 CONECT 638 628 CONECT 1642 1643 1648 1669 1677 CONECT 1643 1642 1644 CONECT 1644 1643 1645 1646 1647 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1644 CONECT 1648 1642 1649 1651 1676 CONECT 1649 1648 1650 CONECT 1650 1649 CONECT 1651 1648 1652 1657 1675 CONECT 1652 1651 1653 CONECT 1653 1652 1654 1655 1656 CONECT 1654 1653 CONECT 1655 1653 CONECT 1656 1653 CONECT 1657 1651 1658 1663 1674 CONECT 1658 1657 1659 CONECT 1659 1658 1660 1661 1662 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1659 CONECT 1663 1657 1664 1669 1673 CONECT 1664 1663 1665 CONECT 1665 1664 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1642 1663 1670 1672 CONECT 1670 1669 1671 CONECT 1671 1670 CONECT 1672 1669 CONECT 1673 1663 CONECT 1674 1657 CONECT 1675 1651 CONECT 1676 1648 CONECT 1677 1642 MASTER 0 0 0 0 0 0 0 0 1675 2 44 12 END
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Structure:
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Protein
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Related entries of code: 5d3x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b55
RCSB PDB
PDBbind
4IP
1bwn
RCSB PDB
PDBbind
4IP
1fao
RCSB PDB
PDBbind
4IP
1w1d
RCSB PDB
PDBbind
4IP
2lko
RCSB PDB
PDBbind
4IP
Entry Information
PDB ID
5d3x
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
P-Rex1 PH domain
Ligand Name
4IP
EC.Number
E.C.-.-.-.-
Resolution
1.69(Å)
Affinity (Kd/Ki/IC50)
Kd=440nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Structure Vol. 24: pp. 730-740
Ligand Properties
Formula
C
6
H
2
0
O
1
8
P
4
Molecular Weight
504.107
Exact Mass
503.960
No. of atoms
48
No. of bonds
48
Polar Surface Area
374.5
LOGP Value
-8.74 (
Computed with XLOGP3
)
-5.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 1
Canonical SMILES
O[C@@H]1[C@H](OP(O)(O)O)[C@H](OP(O)(O)O)[C@@H]([C@H]([C@@H]1OP(O)(O)O)O)OP(O)(O)O
InChI String
InChI=1S/C6H24O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-20,25-28H/t1-,2-,3-,4+,5-,6+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8TCU6
Entrez Gene ID
NCBI Entrez Gene ID:
57580
ASD
Information of known allosteric effects of PDB entries
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