Browse entries in the PDBbind-CN Database
HEADER 5FQB_COMPLEX COMPND 5FQB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 29 LYS THR VAL ILE LYS ASN GLU THR GLY THR ILE SER ILE SEQRES 2 A 29 SER GLN LEU ASN LYS ASN VAL TRP VAL HIS THR GLU LEU SEQRES 3 A 29 GLY SER PHE SEQRES 1 A 190 ALA VAL PRO SER ASN GLY LEU VAL LEU ASN THR SER LYS SEQRES 2 A 190 GLY LEU VAL LEU VAL ASP SER SER TRP ASP ASP LYS LEU SEQRES 3 A 190 THR LYS GLU LEU ILE GLU MET VAL GLU LYS LYS PHE GLN SEQRES 4 A 190 LYS ARG VAL THR ASP VAL ILE ILE THR HIS ALA HIS ALA SEQRES 5 A 190 ASP ARG ILE GLY GLY ILE LYS THR LEU LYS GLU ARG GLY SEQRES 6 A 190 ILE LYS ALA HIS SER THR ALA LEU THR ALA GLU LEU ALA SEQRES 7 A 190 LYS LYS ASN GLY TYR GLU GLU PRO LEU GLY ASP LEU GLN SEQRES 8 A 190 THR VAL THR ASN LEU LYS PHE GLY ASN MET LYS VAL GLU SEQRES 9 A 190 THR PHE TYR PRO GLY LYS GLY HIS THR GLU ASP ASN ILE SEQRES 10 A 190 VAL VAL TRP LEU PRO GLN TYR ASN ILE LEU VAL GLY GLY SEQRES 11 A 190 CYS LEU VAL LYS SER THR SER ALA LYS ASP LEU GLY ASN SEQRES 12 A 190 VAL ALA ASP ALA TYR VAL ASN GLU TRP SER THR SER ILE SEQRES 13 A 190 GLU ASN VAL LEU LYS ARG TYR ARG ASN ILE ASN ALA VAL SEQRES 14 A 190 VAL PRO GLY HIS GLY GLU VAL GLY ASP LYS GLY LEU LEU SEQRES 15 A 190 LEU HIS THR LEU ASP LEU LEU LYS HET ZN A 1 1 HET ZN A 2 1 HET OK A 3 44 ATOM 1 N LYS A 36 80.558 0.271 7.656 1.00 68.19 N ATOM 2 CA LYS A 36 79.151 0.011 7.371 1.00 63.43 C ATOM 3 C LYS A 36 78.579 1.112 6.481 1.00 64.20 C ATOM 4 O LYS A 36 78.840 2.293 6.695 1.00 65.90 O ATOM 5 CB LYS A 36 78.339 -0.098 8.678 1.00 57.37 C ATOM 6 HN3 LYS A 36 80.648 1.185 8.144 1.00 0.00 H ATOM 7 HN2 LYS A 36 81.092 0.299 6.764 1.00 0.00 H ATOM 8 HN1 LYS A 36 80.933 -0.486 8.262 1.00 0.00 H ATOM 9 N THR A 37 77.804 0.719 5.477 1.00 62.58 N ATOM 10 CA THR A 37 77.167 1.672 4.578 1.00 63.09 C ATOM 11 C THR A 37 76.149 2.557 5.311 1.00 58.32 C ATOM 12 O THR A 37 75.253 2.062 5.998 1.00 51.63 O ATOM 13 CB THR A 37 76.463 0.946 3.425 1.00 65.39 C ATOM 14 OG1 THR A 37 77.422 0.168 2.699 1.00 69.80 O ATOM 15 CG2 THR A 37 75.802 1.943 2.484 1.00 66.59 C ATOM 16 HG1 THR A 37 76.969 -0.301 1.954 1.00 0.00 H ATOM 17 H THR A 37 77.647 -0.298 5.328 1.00 0.00 H ATOM 18 N VAL A 38 76.296 3.868 5.151 1.00 59.28 N ATOM 19 CA VAL A 38 75.409 4.831 5.797 1.00 55.60 C ATOM 20 C VAL A 38 74.850 5.786 4.761 1.00 55.40 C ATOM 21 O VAL A 38 75.585 6.268 3.900 1.00 58.00 O ATOM 22 CB VAL A 38 76.137 5.638 6.883 1.00 56.69 C ATOM 23 CG1 VAL A 38 75.193 6.671 7.501 1.00 55.05 C ATOM 24 CG2 VAL A 38 76.694 4.704 7.943 1.00 56.13 C ATOM 25 H VAL A 38 77.067 4.219 4.547 1.00 0.00 H ATOM 26 N ILE A 39 73.551 6.058 4.853 1.00 51.11 N ATOM 27 CA ILE A 39 72.856 6.907 3.888 1.00 50.15 C ATOM 28 C ILE A 39 71.954 7.893 4.611 1.00 45.31 C ATOM 29 O ILE A 39 71.159 7.504 5.469 1.00 36.21 O ATOM 30 CB ILE A 39 72.007 6.083 2.915 1.00 51.19 C ATOM 31 CG1 ILE A 39 72.880 5.101 2.129 1.00 53.94 C ATOM 32 CG2 ILE A 39 71.274 7.003 1.955 1.00 53.47 C ATOM 33 CD1 ILE A 39 72.079 4.051 1.375 1.00 53.86 C ATOM 34 H ILE A 39 73.009 5.651 5.642 1.00 0.00 H ATOM 35 N LYS A 40 72.076 9.164 4.249 1.00 46.66 N ATOM 36 CA LYS A 40 71.387 10.242 4.949 1.00 47.10 C ATOM 37 C LYS A 40 70.333 10.900 4.073 1.00 48.36 C ATOM 38 O LYS A 40 70.469 10.932 2.844 1.00 50.50 O ATOM 39 CB LYS A 40 72.403 11.297 5.416 1.00 51.71 C ATOM 40 CG LYS A 40 73.527 10.745 6.286 1.00 51.08 C ATOM 41 H LYS A 40 72.684 9.399 3.438 1.00 0.00 H ATOM 42 N ASN A 41 69.290 11.445 4.696 1.00 47.21 N ATOM 43 CA ASN A 41 68.352 12.278 3.956 1.00 51.24 C ATOM 44 C ASN A 41 69.041 13.580 3.584 1.00 58.45 C ATOM 45 O ASN A 41 70.127 13.876 4.085 1.00 58.60 O ATOM 46 CB ASN A 41 67.073 12.566 4.751 1.00 49.02 C ATOM 47 CG ASN A 41 67.318 13.375 6.017 1.00 49.47 C ATOM 48 OD1 ASN A 41 68.447 13.489 6.509 1.00 47.52 O ATOM 49 ND2 ASN A 41 66.236 13.924 6.571 1.00 50.47 N ATOM 50 HD22 ASN A 41 65.305 13.803 6.124 1.00 0.00 H ATOM 51 HD21 ASN A 41 66.324 14.473 7.450 1.00 0.00 H ATOM 52 H ASN A 41 69.145 11.276 5.712 1.00 0.00 H ATOM 53 N GLU A 42 68.395 14.358 2.722 1.00 64.74 N ATOM 54 CA GLU A 42 68.942 15.632 2.273 1.00 73.69 C ATOM 55 C GLU A 42 69.329 16.561 3.432 1.00 76.84 C ATOM 56 O GLU A 42 70.130 17.475 3.242 1.00 81.27 O ATOM 57 CB GLU A 42 67.938 16.341 1.358 1.00 76.77 C ATOM 58 H GLU A 42 67.472 14.049 2.357 1.00 0.00 H ATOM 59 N THR A 43 68.778 16.322 4.621 1.00 74.85 N ATOM 60 CA THR A 43 68.963 17.235 5.751 1.00 78.43 C ATOM 61 C THR A 43 69.934 16.731 6.816 1.00 76.98 C ATOM 62 O THR A 43 70.521 17.525 7.550 1.00 79.95 O ATOM 63 CB THR A 43 67.625 17.526 6.454 1.00 78.23 C ATOM 64 OG1 THR A 43 66.626 17.849 5.480 1.00 80.37 O ATOM 65 CG2 THR A 43 67.779 18.689 7.434 1.00 81.79 C ATOM 66 HG1 THR A 43 65.768 18.035 5.938 1.00 0.00 H ATOM 67 H THR A 43 68.202 15.466 4.750 1.00 0.00 H ATOM 68 N GLY A 44 70.092 15.417 6.917 1.00 72.38 N ATOM 69 CA GLY A 44 70.894 14.836 7.982 1.00 69.31 C ATOM 70 C GLY A 44 70.037 14.442 9.170 1.00 63.90 C ATOM 71 O GLY A 44 70.509 13.764 10.092 1.00 63.10 O ATOM 72 H GLY A 44 69.634 14.792 6.223 1.00 0.00 H ATOM 73 N THR A 45 68.772 14.852 9.152 1.00 60.21 N ATOM 74 CA THR A 45 67.833 14.472 10.211 1.00 54.23 C ATOM 75 C THR A 45 67.443 12.992 10.166 1.00 45.18 C ATOM 76 O THR A 45 66.965 12.457 11.167 1.00 39.90 O ATOM 77 CB THR A 45 66.535 15.304 10.153 1.00 56.88 C ATOM 78 OG1 THR A 45 65.841 15.047 8.924 1.00 56.76 O ATOM 79 CG2 THR A 45 66.844 16.790 10.278 1.00 62.64 C ATOM 80 HG1 THR A 45 65.010 15.585 8.897 1.00 0.00 H ATOM 81 H THR A 45 68.443 15.454 8.371 1.00 0.00 H ATOM 82 N ILE A 46 67.629 12.340 9.017 1.00 42.02 N ATOM 83 CA ILE A 46 67.359 10.902 8.899 1.00 37.37 C ATOM 84 C ILE A 46 68.538 10.166 8.287 1.00 35.23 C ATOM 85 O ILE A 46 69.093 10.578 7.268 1.00 37.48 O ATOM 86 CB ILE A 46 66.105 10.616 8.062 1.00 36.76 C ATOM 87 CG1 ILE A 46 64.880 11.222 8.740 1.00 37.29 C ATOM 88 CG2 ILE A 46 65.901 9.104 7.891 1.00 34.06 C ATOM 89 CD1 ILE A 46 63.609 11.052 7.960 1.00 36.85 C ATOM 90 H ILE A 46 67.973 12.862 8.186 1.00 0.00 H ATOM 91 N SER A 47 68.915 9.071 8.936 1.00 32.08 N ATOM 92 CA SER A 47 70.050 8.267 8.524 1.00 34.78 C ATOM 93 C SER A 47 69.703 6.786 8.596 1.00 32.77 C ATOM 94 O SER A 47 69.010 6.361 9.516 1.00 31.79 O ATOM 95 CB SER A 47 71.252 8.561 9.414 1.00 41.30 C ATOM 96 OG SER A 47 72.329 7.709 9.086 1.00 46.27 O ATOM 97 HG SER A 47 73.100 7.913 9.672 1.00 0.00 H ATOM 98 H SER A 47 68.374 8.777 9.774 1.00 0.00 H ATOM 99 N ILE A 48 70.180 6.000 7.633 1.00 31.97 N ATOM 100 CA ILE A 48 70.093 4.552 7.750 1.00 30.09 C ATOM 101 C ILE A 48 71.496 3.955 7.606 1.00 33.88 C ATOM 102 O ILE A 48 72.315 4.400 6.781 1.00 38.53 O ATOM 103 CB ILE A 48 69.125 3.923 6.717 1.00 29.45 C ATOM 104 CG1 ILE A 48 69.621 4.164 5.290 1.00 31.70 C ATOM 105 CG2 ILE A 48 67.722 4.488 6.862 1.00 27.73 C ATOM 106 CD1 ILE A 48 68.753 3.516 4.232 1.00 31.26 C ATOM 107 H ILE A 48 70.618 6.424 6.791 1.00 0.00 H ATOM 108 N SER A 49 71.753 2.951 8.433 1.00 33.14 N ATOM 109 CA SER A 49 73.048 2.283 8.492 1.00 35.22 C ATOM 110 C SER A 49 72.860 0.777 8.362 1.00 32.94 C ATOM 111 O SER A 49 72.056 0.176 9.088 1.00 30.86 O ATOM 112 CB SER A 49 73.763 2.610 9.806 1.00 36.48 C ATOM 113 OG SER A 49 73.572 3.966 10.172 1.00 37.60 O ATOM 114 HG SER A 49 72.605 4.143 10.287 1.00 0.00 H ATOM 115 H SER A 49 70.997 2.625 9.068 1.00 0.00 H ATOM 116 N GLN A 51 73.614 0.162 7.467 1.00 32.95 N ATOM 117 CA GLN A 51 73.434 -1.257 7.198 1.00 32.58 C ATOM 118 C GLN A 51 74.099 -2.101 8.269 1.00 33.21 C ATOM 119 O GLN A 51 75.247 -1.863 8.614 1.00 34.87 O ATOM 120 CB GLN A 51 73.999 -1.620 5.827 1.00 36.76 C ATOM 121 CG GLN A 51 73.526 -2.972 5.301 1.00 36.92 C ATOM 122 CD GLN A 51 73.919 -3.198 3.848 1.00 41.09 C ATOM 123 OE1 GLN A 51 74.878 -2.606 3.357 1.00 40.06 O ATOM 124 NE2 GLN A 51 73.167 -4.050 3.153 1.00 40.31 N ATOM 125 HE22 GLN A 51 72.365 -4.528 3.611 1.00 0.00 H ATOM 126 HE21 GLN A 51 73.382 -4.237 2.153 1.00 0.00 H ATOM 127 H GLN A 51 74.342 0.697 6.951 1.00 0.00 H ATOM 128 N LEU A 52 73.363 -3.081 8.787 1.00 29.96 N ATOM 129 CA LEU A 52 73.908 -4.088 9.691 1.00 36.78 C ATOM 130 C LEU A 52 74.243 -5.358 8.934 1.00 39.01 C ATOM 131 O LEU A 52 75.268 -5.991 9.194 1.00 41.63 O ATOM 132 CB LEU A 52 72.907 -4.397 10.817 1.00 35.01 C ATOM 133 CG LEU A 52 72.885 -3.457 12.019 1.00 33.71 C ATOM 134 CD1 LEU A 52 71.939 -3.995 13.096 1.00 30.24 C ATOM 135 CD2 LEU A 52 74.289 -3.258 12.583 1.00 36.31 C ATOM 136 H LEU A 52 72.355 -3.131 8.536 1.00 0.00 H ATOM 137 N ASN A 53 73.372 -5.729 8.002 1.00 39.17 N ATOM 138 CA ASN A 53 73.659 -6.776 7.024 1.00 44.16 C ATOM 139 C ASN A 53 72.822 -6.598 5.756 1.00 44.89 C ATOM 140 O ASN A 53 72.102 -5.605 5.613 1.00 44.28 O ATOM 141 CB ASN A 53 73.409 -8.157 7.617 1.00 45.53 C ATOM 142 CG ASN A 53 71.957 -8.386 7.956 1.00 43.28 C ATOM 143 OD1 ASN A 53 71.071 -8.279 7.093 1.00 40.84 O ATOM 144 ND2 ASN A 53 71.696 -8.718 9.223 1.00 44.05 N ATOM 145 HD22 ASN A 53 72.472 -8.795 9.911 1.00 0.00 H ATOM 146 HD21 ASN A 53 70.716 -8.899 9.522 1.00 0.00 H ATOM 147 H ASN A 53 72.447 -5.254 7.967 1.00 0.00 H ATOM 148 N LYS A 54 72.902 -7.583 4.858 1.00 46.21 N ATOM 149 CA LYS A 54 72.276 -7.504 3.533 1.00 47.16 C ATOM 150 C LYS A 54 70.831 -7.007 3.574 1.00 42.71 C ATOM 151 O LYS A 54 70.404 -6.248 2.694 1.00 43.18 O ATOM 152 CB LYS A 54 72.307 -8.874 2.843 1.00 50.15 C ATOM 153 H LYS A 54 73.431 -8.443 5.108 1.00 0.00 H ATOM 154 N ASN A 55 70.094 -7.437 4.593 1.00 36.48 N ATOM 155 CA ASN A 55 68.654 -7.159 4.671 1.00 32.63 C ATOM 156 C ASN A 55 68.216 -6.432 5.935 1.00 29.39 C ATOM 157 O ASN A 55 67.013 -6.248 6.170 1.00 24.11 O ATOM 158 CB ASN A 55 67.874 -8.468 4.544 1.00 33.81 C ATOM 159 CG ASN A 55 67.988 -9.081 3.154 1.00 39.33 C ATOM 160 OD1 ASN A 55 68.292 -10.261 3.010 1.00 43.73 O ATOM 161 ND2 ASN A 55 67.759 -8.275 2.128 1.00 39.83 N ATOM 162 HD22 ASN A 55 67.504 -7.281 2.295 1.00 0.00 H ATOM 163 HD21 ASN A 55 67.835 -8.637 1.156 1.00 0.00 H ATOM 164 H ASN A 55 70.548 -7.983 5.353 1.00 0.00 H ATOM 165 N VAL A 56 69.182 -5.988 6.733 1.00 28.80 N ATOM 166 CA VAL A 56 68.868 -5.316 7.989 1.00 26.41 C ATOM 167 C VAL A 56 69.626 -4.005 8.117 1.00 25.21 C ATOM 168 O VAL A 56 70.856 -3.969 8.034 1.00 29.61 O ATOM 169 CB VAL A 56 69.201 -6.207 9.198 1.00 27.29 C ATOM 170 CG1 VAL A 56 68.797 -5.503 10.491 1.00 25.92 C ATOM 171 CG2 VAL A 56 68.477 -7.540 9.074 1.00 26.35 C ATOM 172 H VAL A 56 70.176 -6.122 6.458 1.00 0.00 H ATOM 173 N TRP A 57 68.875 -2.933 8.327 1.00 22.65 N ATOM 174 CA TRP A 57 69.441 -1.608 8.512 1.00 23.41 C ATOM 175 C TRP A 57 68.883 -0.995 9.786 1.00 21.83 C ATOM 176 O TRP A 57 67.733 -1.244 10.152 1.00 22.09 O ATOM 177 CB TRP A 57 69.110 -0.698 7.334 1.00 25.26 C ATOM 178 CG TRP A 57 69.595 -1.172 6.002 1.00 28.41 C ATOM 179 CD1 TRP A 57 69.259 -2.330 5.352 1.00 26.13 C ATOM 180 CD2 TRP A 57 70.484 -0.470 5.143 1.00 28.38 C ATOM 181 NE1 TRP A 57 69.909 -2.388 4.133 1.00 29.03 N ATOM 182 CE2 TRP A 57 70.671 -1.259 3.990 1.00 30.44 C ATOM 183 CE3 TRP A 57 71.153 0.752 5.240 1.00 34.24 C ATOM 184 CZ2 TRP A 57 71.485 -0.857 2.938 1.00 33.74 C ATOM 185 CZ3 TRP A 57 71.968 1.146 4.201 1.00 34.74 C ATOM 186 CH2 TRP A 57 72.135 0.340 3.068 1.00 39.34 C ATOM 187 HE1 TRP A 57 69.832 -3.160 3.440 1.00 0.00 H ATOM 188 H TRP A 57 67.842 -3.045 8.361 1.00 0.00 H ATOM 189 N VAL A 58 69.688 -0.178 10.453 1.00 22.81 N ATOM 190 CA VAL A 58 69.189 0.685 11.516 1.00 21.77 C ATOM 191 C VAL A 58 68.731 2.015 10.930 1.00 23.02 C ATOM 192 O VAL A 58 69.443 2.573 10.089 1.00 25.45 O ATOM 193 CB VAL A 58 70.271 0.949 12.572 1.00 23.10 C ATOM 194 CG1 VAL A 58 69.714 1.790 13.707 1.00 22.89 C ATOM 195 CG2 VAL A 58 70.839 -0.364 13.064 1.00 23.91 C ATOM 196 H VAL A 58 70.699 -0.153 10.211 1.00 0.00 H ATOM 197 N HIS A 59 67.566 2.521 11.363 1.00 21.57 N ATOM 198 CA HIS A 59 67.172 3.888 11.027 1.00 19.71 C ATOM 199 C HIS A 59 67.273 4.773 12.265 1.00 22.99 C ATOM 200 O HIS A 59 66.940 4.360 13.367 1.00 21.13 O ATOM 201 CB HIS A 59 65.759 3.959 10.378 1.00 22.03 C ATOM 202 CG HIS A 59 64.604 3.686 11.293 1.00 21.92 C ATOM 203 ND1 HIS A 59 64.038 4.657 12.094 1.00 21.68 N ATOM 204 CD2 HIS A 59 63.835 2.581 11.446 1.00 20.72 C ATOM 205 CE1 HIS A 59 62.992 4.152 12.726 1.00 21.13 C ATOM 206 NE2 HIS A 59 62.847 2.894 12.349 1.00 21.62 N ATOM 207 H HIS A 59 66.936 1.933 11.945 1.00 0.00 H ATOM 208 N THR A 60 67.807 5.976 12.065 1.00 24.26 N ATOM 209 CA THR A 60 68.028 6.912 13.152 1.00 25.95 C ATOM 210 C THR A 60 67.536 8.307 12.763 1.00 27.98 C ATOM 211 O THR A 60 67.936 8.838 11.721 1.00 27.04 O ATOM 212 CB THR A 60 69.517 6.968 13.532 1.00 29.34 C ATOM 213 OG1 THR A 60 70.005 5.649 13.780 1.00 28.36 O ATOM 214 CG2 THR A 60 69.764 7.854 14.767 1.00 31.83 C ATOM 215 HG1 THR A 60 69.493 5.243 14.524 1.00 0.00 H ATOM 216 H THR A 60 68.074 6.254 11.099 1.00 0.00 H ATOM 217 N GLU A 61 66.678 8.895 13.603 1.00 24.80 N ATOM 218 CA GLU A 61 66.200 10.263 13.388 1.00 29.09 C ATOM 219 C GLU A 61 66.477 11.189 14.552 1.00 31.89 C ATOM 220 O GLU A 61 66.480 10.772 15.712 1.00 30.85 O ATOM 221 CB GLU A 61 64.695 10.279 13.109 1.00 28.42 C ATOM 222 CG GLU A 61 64.276 9.373 11.988 1.00 27.13 C ATOM 223 CD GLU A 61 64.101 7.943 12.437 1.00 24.65 C ATOM 224 OE1 GLU A 61 63.351 7.687 13.415 1.00 24.12 O ATOM 225 OE2 GLU A 61 64.718 7.065 11.819 1.00 23.69 O ATOM 226 H GLU A 61 66.340 8.366 14.432 1.00 0.00 H ATOM 227 N LEU A 62 66.703 12.458 14.233 1.00 35.46 N ATOM 228 CA LEU A 62 66.859 13.486 15.249 1.00 39.43 C ATOM 229 C LEU A 62 65.518 14.163 15.491 1.00 40.74 C ATOM 230 O LEU A 62 64.941 14.748 14.583 1.00 40.18 O ATOM 231 CB LEU A 62 67.920 14.511 14.833 1.00 44.87 C ATOM 232 CG LEU A 62 69.358 14.165 15.238 1.00 46.32 C ATOM 233 H LEU A 62 66.770 12.724 13.230 1.00 0.00 H ATOM 234 N GLY A 63 65.017 14.044 16.715 1.00 43.25 N ATOM 235 CA GLY A 63 63.867 14.807 17.164 1.00 48.66 C ATOM 236 C GLY A 63 64.319 15.762 18.251 1.00 56.35 C ATOM 237 O GLY A 63 65.458 15.668 18.714 1.00 58.46 O ATOM 238 H GLY A 63 65.466 13.379 17.377 1.00 0.00 H ATOM 239 N SER A 64 63.445 16.691 18.637 1.00 60.75 N ATOM 240 CA SER A 64 63.707 17.585 19.766 1.00 64.62 C ATOM 241 C SER A 64 62.981 17.052 20.995 1.00 62.86 C ATOM 242 O SER A 64 62.006 16.310 20.871 1.00 59.79 O ATOM 243 CB SER A 64 63.265 19.022 19.461 1.00 68.06 C ATOM 244 H SER A 64 62.548 16.784 18.119 1.00 0.00 H ATOM 245 N PHE A 65 63.466 17.431 22.173 1.00 64.89 N ATOM 246 CA PHE A 65 62.897 16.966 23.431 1.00 62.67 C ATOM 247 C PHE A 65 63.490 17.760 24.588 1.00 67.20 C ATOM 248 O PHE A 65 62.827 17.985 25.596 1.00 69.59 O ATOM 249 CB PHE A 65 63.159 15.469 23.624 1.00 57.11 C ATOM 250 CG PHE A 65 62.488 14.882 24.837 1.00 56.65 C ATOM 251 CD1 PHE A 65 63.125 14.893 26.071 1.00 59.43 C ATOM 252 CD2 PHE A 65 61.224 14.313 24.743 1.00 53.99 C ATOM 253 CE1 PHE A 65 62.515 14.356 27.191 1.00 59.52 C ATOM 254 CE2 PHE A 65 60.608 13.770 25.858 1.00 54.24 C ATOM 255 CZ PHE A 65 61.257 13.796 27.088 1.00 57.12 C ATOM 256 H PHE A 65 64.278 18.080 22.198 1.00 0.00 H TER 257 PHE A 65 ATOM 258 N ALA A 69 67.558 18.172 21.394 1.00 67.22 N ATOM 259 CA ALA A 69 67.960 17.384 20.233 1.00 64.16 C ATOM 260 C ALA A 69 68.339 15.967 20.647 1.00 59.92 C ATOM 261 O ALA A 69 69.334 15.764 21.335 1.00 61.02 O ATOM 262 CB ALA A 69 69.120 18.052 19.516 1.00 68.16 C ATOM 263 HN3 ALA A 69 68.347 18.219 22.070 1.00 0.00 H ATOM 264 HN2 ALA A 69 66.737 17.724 21.848 1.00 0.00 H ATOM 265 HN1 ALA A 69 67.304 19.133 21.088 1.00 0.00 H ATOM 266 N VAL A 70 67.555 14.988 20.205 1.00 54.62 N ATOM 267 CA VAL A 70 67.706 13.616 20.676 1.00 50.17 C ATOM 268 C VAL A 70 67.609 12.625 19.523 1.00 44.33 C ATOM 269 O VAL A 70 66.590 12.587 18.834 1.00 42.41 O ATOM 270 CB VAL A 70 66.622 13.276 21.725 1.00 50.12 C ATOM 271 CG1 VAL A 70 66.876 11.905 22.348 1.00 48.14 C ATOM 272 CG2 VAL A 70 66.557 14.361 22.800 1.00 54.22 C ATOM 273 H VAL A 70 66.816 15.206 19.506 1.00 0.00 H ATOM 274 N PRO A 71 68.662 11.813 19.305 1.00 41.18 N ATOM 275 CA PRO A 71 68.527 10.791 18.265 1.00 35.48 C ATOM 276 C PRO A 71 67.785 9.568 18.777 1.00 30.81 C ATOM 277 O PRO A 71 67.814 9.288 19.990 1.00 30.34 O ATOM 278 CB PRO A 71 69.970 10.439 17.929 1.00 36.12 C ATOM 279 CG PRO A 71 70.674 10.619 19.223 1.00 36.19 C ATOM 280 CD PRO A 71 70.012 11.805 19.895 1.00 44.62 C ATOM 281 N SER A 72 67.164 8.850 17.851 1.00 28.05 N ATOM 282 CA SER A 72 66.288 7.727 18.136 1.00 28.65 C ATOM 283 C SER A 72 66.525 6.655 17.083 1.00 26.74 C ATOM 284 O SER A 72 66.655 6.987 15.915 1.00 29.89 O ATOM 285 CB SER A 72 64.825 8.178 18.101 1.00 32.97 C ATOM 286 OG SER A 72 63.965 7.141 18.523 1.00 36.39 O ATOM 287 HG SER A 72 64.072 6.361 17.923 1.00 0.00 H ATOM 288 H SER A 72 67.314 9.108 16.855 1.00 0.00 H ATOM 289 N ASN A 73 66.563 5.385 17.479 1.00 23.22 N ATOM 290 CA ASN A 73 66.782 4.283 16.547 1.00 20.08 C ATOM 291 C ASN A 73 65.585 3.381 16.372 1.00 19.56 C ATOM 292 O ASN A 73 64.843 3.127 17.312 1.00 19.69 O ATOM 293 CB ASN A 73 67.922 3.361 16.995 1.00 20.73 C ATOM 294 CG ASN A 73 69.214 4.087 17.233 1.00 22.63 C ATOM 295 OD1 ASN A 73 69.606 4.977 16.463 1.00 23.83 O ATOM 296 ND2 ASN A 73 69.889 3.719 18.311 1.00 24.13 N ATOM 297 HD22 ASN A 73 69.518 2.967 18.925 1.00 0.00 H ATOM 298 HD21 ASN A 73 70.791 4.182 18.543 1.00 0.00 H ATOM 299 H ASN A 73 66.432 5.170 18.488 1.00 0.00 H ATOM 300 N GLY A 74 65.474 2.839 15.172 1.00 19.34 N ATOM 301 CA GLY A 74 64.669 1.661 14.904 1.00 19.08 C ATOM 302 C GLY A 74 65.358 0.778 13.863 1.00 20.03 C ATOM 303 O GLY A 74 66.559 0.933 13.596 1.00 22.05 O ATOM 304 H GLY A 74 65.988 3.277 14.381 1.00 0.00 H ATOM 305 N LEU A 75 64.603 -0.161 13.290 1.00 17.61 N ATOM 306 CA LEU A 75 65.115 -1.064 12.269 1.00 19.39 C ATOM 307 C LEU A 75 64.317 -0.977 10.976 1.00 18.11 C ATOM 308 O LEU A 75 63.112 -0.722 11.001 1.00 17.16 O ATOM 309 CB LEU A 75 65.079 -2.494 12.778 1.00 22.58 C ATOM 310 CG LEU A 75 66.361 -3.287 12.849 1.00 25.06 C ATOM 311 CD1 LEU A 75 67.496 -2.545 13.593 1.00 26.82 C ATOM 312 CD2 LEU A 75 66.085 -4.633 13.464 1.00 24.67 C ATOM 313 H LEU A 75 63.610 -0.252 13.584 1.00 0.00 H ATOM 314 N VAL A 76 65.022 -1.175 9.860 1.00 20.41 N ATOM 315 CA VAL A 76 64.426 -1.433 8.549 1.00 20.41 C ATOM 316 C VAL A 76 64.798 -2.851 8.094 1.00 19.79 C ATOM 317 O VAL A 76 65.966 -3.183 7.961 1.00 21.72 O ATOM 318 CB VAL A 76 64.911 -0.434 7.460 1.00 23.67 C ATOM 319 CG1 VAL A 76 64.097 -0.633 6.152 1.00 24.18 C ATOM 320 CG2 VAL A 76 64.806 1.010 7.948 1.00 23.29 C ATOM 321 H VAL A 76 66.059 -1.144 9.927 1.00 0.00 H ATOM 322 N LEU A 77 63.786 -3.671 7.850 1.00 19.63 N ATOM 323 CA LEU A 77 63.964 -5.032 7.347 1.00 20.10 C ATOM 324 C LEU A 77 63.569 -5.122 5.888 1.00 21.40 C ATOM 325 O LEU A 77 62.409 -4.911 5.532 1.00 20.71 O ATOM 326 CB LEU A 77 63.123 -6.015 8.165 1.00 20.24 C ATOM 327 CG LEU A 77 63.316 -5.822 9.673 1.00 20.63 C ATOM 328 CD1 LEU A 77 62.341 -6.668 10.441 1.00 19.81 C ATOM 329 CD2 LEU A 77 64.753 -6.142 10.070 1.00 25.34 C ATOM 330 H LEU A 77 62.819 -3.330 8.025 1.00 0.00 H ATOM 331 N ASN A 78 64.549 -5.419 5.038 1.00 23.88 N ATOM 332 CA ASN A 78 64.300 -5.602 3.634 1.00 26.41 C ATOM 333 C ASN A 78 63.916 -7.058 3.373 1.00 28.03 C ATOM 334 O ASN A 78 64.776 -7.934 3.362 1.00 31.23 O ATOM 335 CB ASN A 78 65.541 -5.202 2.840 1.00 28.54 C ATOM 336 CG ASN A 78 65.287 -5.090 1.356 1.00 30.34 C ATOM 337 OD1 ASN A 78 64.149 -5.117 0.891 1.00 30.59 O ATOM 338 ND2 ASN A 78 66.364 -4.956 0.599 1.00 33.40 N ATOM 339 HD22 ASN A 78 67.308 -4.938 1.036 1.00 0.00 H ATOM 340 HD21 ASN A 78 66.267 -4.868 -0.433 1.00 0.00 H ATOM 341 H ASN A 78 65.519 -5.521 5.398 1.00 0.00 H ATOM 342 N THR A 79 62.625 -7.310 3.167 1.00 27.45 N ATOM 343 CA THR A 79 62.128 -8.662 2.941 1.00 29.34 C ATOM 344 C THR A 79 61.568 -8.809 1.538 1.00 34.21 C ATOM 345 O THR A 79 61.385 -7.825 0.823 1.00 32.39 O ATOM 346 CB THR A 79 61.029 -9.046 3.966 1.00 27.02 C ATOM 347 OG1 THR A 79 59.720 -8.739 3.446 1.00 27.06 O ATOM 348 CG2 THR A 79 61.262 -8.334 5.284 1.00 23.60 C ATOM 349 HG1 THR A 79 59.660 -7.769 3.259 1.00 0.00 H ATOM 350 H THR A 79 61.951 -6.518 3.167 1.00 0.00 H ATOM 351 N SER A 80 61.297 -10.050 1.150 1.00 28.72 N ATOM 352 CA SER A 80 60.818 -10.340 -0.194 1.00 31.93 C ATOM 353 C SER A 80 59.357 -9.936 -0.357 1.00 32.97 C ATOM 354 O SER A 80 58.855 -9.869 -1.476 1.00 34.87 O ATOM 355 CB SER A 80 60.989 -11.826 -0.507 1.00 33.72 C ATOM 356 OG SER A 80 60.227 -12.591 0.402 1.00 34.03 O ATOM 357 HG SER A 80 60.339 -13.553 0.197 1.00 0.00 H ATOM 358 H SER A 80 61.430 -10.833 1.822 1.00 0.00 H ATOM 359 N LYS A 81 58.676 -9.680 0.755 1.00 31.74 N ATOM 360 CA LYS A 81 57.280 -9.268 0.710 1.00 30.07 C ATOM 361 C LYS A 81 57.086 -7.781 1.020 1.00 25.76 C ATOM 362 O LYS A 81 55.954 -7.315 1.094 1.00 25.84 O ATOM 363 CB LYS A 81 56.446 -10.101 1.684 1.00 29.44 C ATOM 364 H LYS A 81 59.150 -9.776 1.676 1.00 0.00 H ATOM 365 N GLY A 82 58.177 -7.037 1.171 1.00 22.13 N ATOM 366 CA GLY A 82 58.095 -5.619 1.465 1.00 20.58 C ATOM 367 C GLY A 82 59.010 -5.199 2.610 1.00 18.69 C ATOM 368 O GLY A 82 59.705 -6.011 3.203 1.00 20.56 O ATOM 369 H GLY A 82 59.112 -7.482 1.076 1.00 0.00 H ATOM 370 N LEU A 83 59.015 -3.911 2.896 1.00 16.40 N ATOM 371 CA LEU A 83 59.794 -3.361 4.000 1.00 17.13 C ATOM 372 C LEU A 83 59.015 -3.454 5.315 1.00 15.23 C ATOM 373 O LEU A 83 57.820 -3.190 5.365 1.00 14.19 O ATOM 374 CB LEU A 83 60.181 -1.910 3.704 1.00 18.41 C ATOM 375 CG LEU A 83 61.049 -1.746 2.459 1.00 20.97 C ATOM 376 CD1 LEU A 83 61.271 -0.285 2.123 1.00 21.51 C ATOM 377 CD2 LEU A 83 62.388 -2.443 2.637 1.00 24.19 C ATOM 378 H LEU A 83 58.444 -3.265 2.314 1.00 0.00 H ATOM 379 N VAL A 84 59.708 -3.846 6.377 1.00 17.90 N ATOM 380 CA VAL A 84 59.121 -3.881 7.718 1.00 17.76 C ATOM 381 C VAL A 84 59.982 -3.032 8.614 1.00 15.90 C ATOM 382 O VAL A 84 61.194 -3.199 8.638 1.00 17.88 O ATOM 383 CB VAL A 84 59.039 -5.304 8.274 1.00 18.72 C ATOM 384 CG1 VAL A 84 58.514 -5.291 9.706 1.00 17.62 C ATOM 385 CG2 VAL A 84 58.154 -6.170 7.368 1.00 19.93 C ATOM 386 H VAL A 84 60.699 -4.137 6.253 1.00 0.00 H ATOM 387 N LEU A 85 59.365 -2.106 9.334 1.00 15.84 N ATOM 388 CA LEU A 85 60.102 -1.282 10.286 1.00 15.96 C ATOM 389 C LEU A 85 59.888 -1.764 11.705 1.00 15.68 C ATOM 390 O LEU A 85 58.763 -2.136 12.077 1.00 15.88 O ATOM 391 CB LEU A 85 59.662 0.177 10.203 1.00 16.50 C ATOM 392 CG LEU A 85 59.593 0.854 8.848 1.00 18.58 C ATOM 393 CD1 LEU A 85 59.127 2.311 9.034 1.00 18.94 C ATOM 394 CD2 LEU A 85 60.926 0.776 8.150 1.00 21.35 C ATOM 395 H LEU A 85 58.341 -1.965 9.219 1.00 0.00 H ATOM 396 N VAL A 86 60.949 -1.737 12.505 1.00 16.00 N ATOM 397 CA VAL A 86 60.782 -1.762 13.941 1.00 16.85 C ATOM 398 C VAL A 86 60.823 -0.310 14.387 1.00 17.13 C ATOM 399 O VAL A 86 61.840 0.369 14.217 1.00 18.53 O ATOM 400 CB VAL A 86 61.842 -2.587 14.642 1.00 17.16 C ATOM 401 CG1 VAL A 86 61.592 -2.572 16.142 1.00 16.28 C ATOM 402 CG2 VAL A 86 61.808 -4.007 14.112 1.00 19.11 C ATOM 403 H VAL A 86 61.904 -1.698 12.096 1.00 0.00 H ATOM 404 N ASP A 87 59.685 0.134 14.909 1.00 14.90 N ATOM 405 CA ASP A 87 59.410 1.494 15.372 1.00 14.27 C ATOM 406 C ASP A 87 59.322 2.533 14.244 1.00 17.56 C ATOM 407 O ASP A 87 59.967 2.398 13.207 1.00 19.52 O ATOM 408 CB ASP A 87 60.442 1.913 16.433 1.00 15.59 C ATOM 409 CG ASP A 87 60.110 1.326 17.787 1.00 14.39 C ATOM 410 OD1 ASP A 87 58.911 1.243 18.053 1.00 15.33 O ATOM 411 OD2 ASP A 87 61.006 0.947 18.569 1.00 17.50 O ATOM 412 H ASP A 87 58.911 -0.555 14.997 1.00 0.00 H ATOM 413 N SER A 88 58.494 3.552 14.483 1.00 17.67 N ATOM 414 CA SER A 88 58.283 4.649 13.533 1.00 20.62 C ATOM 415 C SER A 88 59.234 5.763 13.960 1.00 20.98 C ATOM 416 O SER A 88 60.418 5.499 14.209 1.00 19.70 O ATOM 417 CB SER A 88 56.777 5.077 13.493 1.00 21.90 C ATOM 418 OG SER A 88 56.321 5.887 14.609 1.00 22.91 O ATOM 419 HG SER A 88 56.444 5.384 15.453 1.00 0.00 H ATOM 420 H SER A 88 57.975 3.569 15.384 1.00 0.00 H ATOM 421 N SER A 89 58.757 6.994 14.075 1.00 22.51 N ATOM 422 CA SER A 89 59.636 8.060 14.562 1.00 22.08 C ATOM 423 C SER A 89 58.857 9.102 15.344 1.00 23.36 C ATOM 424 O SER A 89 57.659 8.956 15.567 1.00 22.88 O ATOM 425 CB SER A 89 60.397 8.713 13.389 1.00 20.57 C ATOM 426 OG SER A 89 61.454 9.556 13.830 1.00 23.73 O ATOM 427 HG SER A 89 62.102 9.023 14.356 1.00 0.00 H ATOM 428 H SER A 89 57.770 7.201 13.822 1.00 0.00 H ATOM 429 N TRP A 90 59.555 10.162 15.734 1.00 23.57 N ATOM 430 CA TRP A 90 59.049 11.148 16.689 1.00 26.68 C ATOM 431 C TRP A 90 57.707 11.768 16.331 1.00 26.49 C ATOM 432 O TRP A 90 56.922 12.118 17.214 1.00 26.84 O ATOM 433 CB TRP A 90 60.057 12.290 16.831 1.00 28.60 C ATOM 434 CG TRP A 90 61.372 11.897 17.385 1.00 30.01 C ATOM 435 CD1 TRP A 90 62.479 11.505 16.687 1.00 30.40 C ATOM 436 CD2 TRP A 90 61.736 11.871 18.771 1.00 31.48 C ATOM 437 NE1 TRP A 90 63.511 11.234 17.554 1.00 32.47 N ATOM 438 CE2 TRP A 90 63.084 11.448 18.840 1.00 33.05 C ATOM 439 CE3 TRP A 90 61.054 12.160 19.957 1.00 32.42 C ATOM 440 CZ2 TRP A 90 63.773 11.319 20.056 1.00 34.13 C ATOM 441 CZ3 TRP A 90 61.742 12.037 21.167 1.00 34.58 C ATOM 442 CH2 TRP A 90 63.087 11.608 21.201 1.00 34.70 C ATOM 443 HE1 TRP A 90 64.463 10.918 17.279 1.00 0.00 H ATOM 444 H TRP A 90 60.508 10.298 15.341 1.00 0.00 H ATOM 445 N ASP A 91 57.480 11.955 15.036 1.00 24.65 N ATOM 446 CA ASP A 91 56.267 12.606 14.569 1.00 22.43 C ATOM 447 C ASP A 91 55.963 12.135 13.145 1.00 21.44 C ATOM 448 O ASP A 91 56.671 11.269 12.571 1.00 18.88 O ATOM 449 CB ASP A 91 56.387 14.148 14.648 1.00 25.61 C ATOM 450 CG ASP A 91 57.489 14.722 13.766 1.00 27.09 C ATOM 451 OD1 ASP A 91 57.991 14.022 12.877 1.00 24.34 O ATOM 452 OD2 ASP A 91 57.867 15.892 13.973 1.00 31.03 O ATOM 453 H ASP A 91 58.183 11.629 14.343 1.00 0.00 H ATOM 454 N ASP A 92 54.897 12.687 12.578 1.00 22.86 N ATOM 455 CA ASP A 92 54.463 12.252 11.260 1.00 23.68 C ATOM 456 C ASP A 92 55.386 12.760 10.153 1.00 24.23 C ATOM 457 O ASP A 92 55.650 12.043 9.190 1.00 23.68 O ATOM 458 CB ASP A 92 53.031 12.712 11.018 1.00 24.66 C ATOM 459 CG ASP A 92 52.035 11.919 11.828 1.00 24.95 C ATOM 460 OD1 ASP A 92 51.938 10.699 11.617 1.00 23.05 O ATOM 461 OD2 ASP A 92 51.342 12.505 12.676 1.00 28.23 O ATOM 462 H ASP A 92 54.371 13.432 13.078 1.00 0.00 H ATOM 463 N LYS A 93 55.875 13.992 10.279 1.00 25.33 N ATOM 464 CA LYS A 93 56.792 14.535 9.265 1.00 27.00 C ATOM 465 C LYS A 93 58.029 13.621 9.069 1.00 26.68 C ATOM 466 O LYS A 93 58.394 13.295 7.923 1.00 23.94 O ATOM 467 CB LYS A 93 57.218 15.963 9.640 1.00 30.18 C ATOM 468 CG LYS A 93 58.203 16.590 8.666 1.00 30.94 C ATOM 469 H LYS A 93 55.607 14.573 11.099 1.00 0.00 H ATOM 470 N LEU A 94 58.648 13.186 10.173 1.00 24.31 N ATOM 471 CA LEU A 94 59.824 12.328 10.097 1.00 23.48 C ATOM 472 C LEU A 94 59.455 10.935 9.625 1.00 22.30 C ATOM 473 O LEU A 94 60.198 10.319 8.863 1.00 20.44 O ATOM 474 CB LEU A 94 60.535 12.223 11.450 1.00 21.76 C ATOM 475 CG LEU A 94 61.441 13.381 11.846 1.00 26.52 C ATOM 476 CD1 LEU A 94 61.836 13.327 13.352 1.00 33.99 C ATOM 477 CD2 LEU A 94 62.681 13.367 10.970 1.00 30.46 C ATOM 478 H LEU A 94 58.282 13.466 11.105 1.00 0.00 H ATOM 479 N THR A 95 58.317 10.430 10.087 1.00 21.39 N ATOM 480 CA THR A 95 57.878 9.110 9.686 1.00 19.51 C ATOM 481 C THR A 95 57.582 9.064 8.191 1.00 20.46 C ATOM 482 O THR A 95 57.954 8.108 7.524 1.00 18.34 O ATOM 483 CB THR A 95 56.648 8.668 10.490 1.00 19.69 C ATOM 484 OG1 THR A 95 57.021 8.553 11.868 1.00 20.85 O ATOM 485 CG2 THR A 95 56.144 7.310 9.995 1.00 17.55 C ATOM 486 HG1 THR A 95 57.342 9.430 12.196 1.00 0.00 H ATOM 487 H THR A 95 57.735 10.988 10.744 1.00 0.00 H ATOM 488 N LYS A 96 56.934 10.091 7.660 1.00 21.88 N ATOM 489 CA LYS A 96 56.709 10.156 6.221 1.00 22.62 C ATOM 490 C LYS A 96 58.043 10.131 5.469 1.00 22.63 C ATOM 491 O LYS A 96 58.224 9.357 4.524 1.00 21.83 O ATOM 492 CB LYS A 96 55.933 11.418 5.850 1.00 24.48 C ATOM 493 CG LYS A 96 54.473 11.391 6.271 1.00 25.89 C ATOM 494 CD LYS A 96 53.762 12.722 5.945 1.00 29.43 C ATOM 495 CE LYS A 96 52.366 12.754 6.565 1.00 31.17 C ATOM 496 NZ LYS A 96 51.551 13.951 6.153 1.00 35.28 N ATOM 497 HZ1 LYS A 96 52.041 14.820 6.446 1.00 0.00 H ATOM 498 HZ2 LYS A 96 51.433 13.949 5.120 1.00 0.00 H ATOM 499 HZ3 LYS A 96 50.618 13.907 6.610 1.00 0.00 H ATOM 500 H LYS A 96 56.584 10.855 8.273 1.00 0.00 H ATOM 501 N GLU A 97 58.970 10.983 5.896 1.00 23.05 N ATOM 502 CA GLU A 97 60.285 11.108 5.268 1.00 24.39 C ATOM 503 C GLU A 97 61.027 9.775 5.299 1.00 22.99 C ATOM 504 O GLU A 97 61.663 9.369 4.326 1.00 22.87 O ATOM 505 CB GLU A 97 61.122 12.191 5.977 1.00 26.68 C ATOM 506 CG GLU A 97 60.690 13.617 5.674 1.00 29.36 C ATOM 507 CD GLU A 97 61.472 14.655 6.461 1.00 32.30 C ATOM 508 OE1 GLU A 97 61.620 14.509 7.692 1.00 31.51 O ATOM 509 OE2 GLU A 97 61.936 15.628 5.844 1.00 35.07 O ATOM 510 H GLU A 97 58.750 11.588 6.713 1.00 0.00 H ATOM 511 N LEU A 98 60.961 9.101 6.443 1.00 21.09 N ATOM 512 CA LEU A 98 61.598 7.786 6.608 1.00 20.58 C ATOM 513 C LEU A 98 61.040 6.769 5.624 1.00 19.08 C ATOM 514 O LEU A 98 61.786 6.102 4.916 1.00 18.70 O ATOM 515 CB LEU A 98 61.417 7.270 8.038 1.00 21.30 C ATOM 516 CG LEU A 98 61.979 5.881 8.336 1.00 21.31 C ATOM 517 CD1 LEU A 98 63.483 5.783 7.990 1.00 23.24 C ATOM 518 CD2 LEU A 98 61.726 5.517 9.806 1.00 21.12 C ATOM 519 H LEU A 98 60.444 9.516 7.244 1.00 0.00 H ATOM 520 N ILE A 99 59.722 6.639 5.598 1.00 18.85 N ATOM 521 CA ILE A 99 59.069 5.709 4.696 1.00 18.09 C ATOM 522 C ILE A 99 59.454 6.005 3.244 1.00 18.22 C ATOM 523 O ILE A 99 59.847 5.117 2.481 1.00 17.75 O ATOM 524 CB ILE A 99 57.548 5.779 4.835 1.00 18.69 C ATOM 525 CG1 ILE A 99 57.130 5.261 6.230 1.00 19.02 C ATOM 526 CG2 ILE A 99 56.885 5.000 3.712 1.00 18.02 C ATOM 527 CD1 ILE A 99 55.753 5.695 6.624 1.00 19.03 C ATOM 528 H ILE A 99 59.142 7.217 6.239 1.00 0.00 H ATOM 529 N GLU A 100 59.366 7.261 2.866 1.00 18.62 N ATOM 530 CA GLU A 100 59.671 7.635 1.497 1.00 20.62 C ATOM 531 C GLU A 100 61.127 7.358 1.115 1.00 20.61 C ATOM 532 O GLU A 100 61.424 6.938 -0.013 1.00 20.88 O ATOM 533 CB GLU A 100 59.301 9.094 1.311 1.00 23.84 C ATOM 534 CG GLU A 100 57.778 9.247 1.356 1.00 23.60 C ATOM 535 CD GLU A 100 57.291 10.631 1.686 1.00 28.19 C ATOM 536 OE1 GLU A 100 58.104 11.583 1.786 1.00 30.26 O ATOM 537 OE2 GLU A 100 56.060 10.757 1.853 1.00 31.01 O ATOM 538 H GLU A 100 59.077 7.989 3.550 1.00 0.00 H ATOM 539 N MET A 101 62.034 7.530 2.062 1.00 19.09 N ATOM 540 CA MET A 101 63.441 7.260 1.778 1.00 21.71 C ATOM 541 C MET A 101 63.689 5.777 1.507 1.00 20.07 C ATOM 542 O MET A 101 64.377 5.424 0.539 1.00 19.50 O ATOM 543 CB MET A 101 64.319 7.718 2.944 1.00 20.08 C ATOM 544 CG MET A 101 65.777 7.413 2.756 1.00 40.97 C ATOM 545 SD MET A 101 66.742 7.813 4.259 1.00 36.75 S ATOM 546 CE MET A 101 66.017 9.391 4.665 1.00 36.77 C ATOM 547 H MET A 101 61.746 7.857 3.006 1.00 0.00 H ATOM 548 N VAL A 102 63.142 4.916 2.364 1.00 19.88 N ATOM 549 CA VAL A 102 63.431 3.490 2.243 1.00 20.18 C ATOM 550 C VAL A 102 62.650 2.869 1.095 1.00 19.76 C ATOM 551 O VAL A 102 63.153 1.966 0.411 1.00 20.08 O ATOM 552 CB VAL A 102 63.170 2.720 3.563 1.00 17.15 C ATOM 553 CG1 VAL A 102 64.146 3.231 4.633 1.00 18.16 C ATOM 554 CG2 VAL A 102 61.730 2.831 4.033 1.00 17.15 C ATOM 555 H VAL A 102 62.511 5.259 3.117 1.00 0.00 H ATOM 556 N GLU A 103 61.447 3.373 0.837 1.00 18.26 N ATOM 557 CA GLU A 103 60.692 2.874 -0.301 1.00 18.38 C ATOM 558 C GLU A 103 61.412 3.163 -1.609 1.00 19.19 C ATOM 559 O GLU A 103 61.498 2.299 -2.473 1.00 21.03 O ATOM 560 CB GLU A 103 59.288 3.464 -0.302 1.00 17.14 C ATOM 561 CG GLU A 103 58.461 2.765 0.751 1.00 16.13 C ATOM 562 CD GLU A 103 56.995 3.150 0.779 1.00 16.01 C ATOM 563 OE1 GLU A 103 56.628 4.145 0.120 1.00 17.82 O ATOM 564 OE2 GLU A 103 56.207 2.446 1.485 1.00 14.64 O ATOM 565 H GLU A 103 61.049 4.118 1.444 1.00 0.00 H ATOM 566 N LYS A 105 61.969 4.357 -1.736 1.00 19.11 N ATOM 567 CA LYS A 105 62.716 4.694 -2.936 1.00 21.61 C ATOM 568 C LYS A 105 63.974 3.837 -3.050 1.00 22.11 C ATOM 569 O LYS A 105 64.259 3.268 -4.103 1.00 22.85 O ATOM 570 CB LYS A 105 63.088 6.169 -2.947 1.00 23.39 C ATOM 571 CG LYS A 105 63.698 6.600 -4.278 1.00 27.85 C ATOM 572 CD LYS A 105 63.801 8.080 -4.406 1.00 32.28 C ATOM 573 CE LYS A 105 64.406 8.442 -5.758 1.00 38.99 C ATOM 574 NZ LYS A 105 64.148 9.863 -6.100 1.00 43.25 N ATOM 575 HZ1 LYS A 105 63.122 10.028 -6.141 1.00 0.00 H ATOM 576 HZ2 LYS A 105 64.570 10.475 -5.373 1.00 0.00 H ATOM 577 HZ3 LYS A 105 64.572 10.078 -7.025 1.00 0.00 H ATOM 578 H LYS A 105 61.872 5.057 -0.973 1.00 0.00 H ATOM 579 N LYS A 106 64.724 3.730 -1.965 1.00 23.19 N ATOM 580 CA LYS A 106 65.999 3.036 -2.031 1.00 26.89 C ATOM 581 C LYS A 106 65.831 1.549 -2.311 1.00 25.68 C ATOM 582 O LYS A 106 66.528 1.012 -3.178 1.00 26.57 O ATOM 583 CB LYS A 106 66.805 3.200 -0.742 1.00 30.49 C ATOM 584 CG LYS A 106 68.152 2.467 -0.846 1.00 35.98 C ATOM 585 CD LYS A 106 68.915 2.384 0.452 1.00 39.42 C ATOM 586 CE LYS A 106 70.163 1.520 0.258 1.00 44.01 C ATOM 587 NZ LYS A 106 70.994 1.962 -0.903 1.00 46.58 N ATOM 588 HZ1 LYS A 106 70.428 1.906 -1.774 1.00 0.00 H ATOM 589 HZ2 LYS A 106 71.305 2.943 -0.752 1.00 0.00 H ATOM 590 HZ3 LYS A 106 71.825 1.343 -0.988 1.00 0.00 H ATOM 591 H LYS A 106 64.401 4.142 -1.066 1.00 0.00 H ATOM 592 N PHE A 107 64.942 0.892 -1.574 1.00 22.42 N ATOM 593 CA PHE A 107 64.807 -0.566 -1.656 1.00 23.20 C ATOM 594 C PHE A 107 63.771 -1.017 -2.687 1.00 22.92 C ATOM 595 O PHE A 107 63.646 -2.210 -2.969 1.00 22.33 O ATOM 596 CB PHE A 107 64.484 -1.133 -0.280 1.00 21.46 C ATOM 597 CG PHE A 107 65.576 -0.877 0.731 1.00 21.35 C ATOM 598 CD1 PHE A 107 66.827 -1.487 0.597 1.00 25.70 C ATOM 599 CD2 PHE A 107 65.386 -0.002 1.769 1.00 21.25 C ATOM 600 CE1 PHE A 107 67.839 -1.234 1.502 1.00 27.59 C ATOM 601 CE2 PHE A 107 66.409 0.246 2.693 1.00 22.63 C ATOM 602 CZ PHE A 107 67.617 -0.361 2.556 1.00 24.72 C ATOM 603 H PHE A 107 64.328 1.424 -0.924 1.00 0.00 H ATOM 604 N GLN A 108 63.073 -0.049 -3.273 1.00 21.41 N ATOM 605 CA GLN A 108 62.134 -0.292 -4.367 1.00 21.90 C ATOM 606 C GLN A 108 61.061 -1.303 -4.002 1.00 21.63 C ATOM 607 O GLN A 108 60.764 -2.217 -4.765 1.00 21.70 O ATOM 608 CB GLN A 108 62.886 -0.742 -5.632 1.00 25.56 C ATOM 609 CG GLN A 108 63.517 0.402 -6.360 1.00 29.59 C ATOM 610 CD GLN A 108 62.476 1.361 -6.930 1.00 33.65 C ATOM 611 OE1 GLN A 108 61.680 1.006 -7.831 1.00 36.42 O ATOM 612 NE2 GLN A 108 62.468 2.585 -6.406 1.00 33.05 N ATOM 613 HE22 GLN A 108 63.148 2.836 -5.660 1.00 0.00 H ATOM 614 HE21 GLN A 108 61.782 3.290 -6.743 1.00 0.00 H ATOM 615 H GLN A 108 63.201 0.927 -2.937 1.00 0.00 H ATOM 616 N LYS A 109 60.470 -1.111 -2.831 1.00 21.43 N ATOM 617 CA LYS A 109 59.299 -1.883 -2.411 1.00 22.97 C ATOM 618 C LYS A 109 58.583 -1.082 -1.343 1.00 19.22 C ATOM 619 O LYS A 109 59.126 -0.091 -0.853 1.00 17.51 O ATOM 620 CB LYS A 109 59.684 -3.280 -1.902 1.00 26.28 C ATOM 621 CG LYS A 109 60.818 -3.335 -0.946 1.00 28.20 C ATOM 622 CD LYS A 109 61.212 -4.796 -0.610 1.00 30.86 C ATOM 623 CE LYS A 109 62.079 -5.436 -1.675 1.00 33.22 C ATOM 624 NZ LYS A 109 62.942 -6.529 -1.117 1.00 32.73 N ATOM 625 HZ1 LYS A 109 63.566 -6.136 -0.383 1.00 0.00 H ATOM 626 HZ2 LYS A 109 62.339 -7.268 -0.702 1.00 0.00 H ATOM 627 HZ3 LYS A 109 63.518 -6.938 -1.880 1.00 0.00 H ATOM 628 H LYS A 109 60.851 -0.387 -2.189 1.00 0.00 H ATOM 629 N ARG A 110 57.379 -1.498 -0.973 1.00 17.12 N ATOM 630 CA ARG A 110 56.593 -0.693 -0.023 1.00 17.09 C ATOM 631 C ARG A 110 56.845 -1.069 1.429 1.00 17.54 C ATOM 632 O ARG A 110 57.162 -2.219 1.744 1.00 17.52 O ATOM 633 CB ARG A 110 55.092 -0.830 -0.279 1.00 16.78 C ATOM 634 CG ARG A 110 54.595 -0.893 -1.717 1.00 18.21 C ATOM 635 CD ARG A 110 55.116 0.240 -2.602 1.00 19.62 C ATOM 636 NE ARG A 110 55.098 1.574 -1.978 1.00 16.05 N ATOM 637 CZ ARG A 110 54.008 2.315 -1.801 1.00 19.92 C ATOM 638 NH1 ARG A 110 52.804 1.857 -2.144 1.00 18.65 N ATOM 639 NH2 ARG A 110 54.116 3.524 -1.276 1.00 19.37 N ATOM 640 HE ARG A 110 56.005 1.965 -1.652 1.00 0.00 H ATOM 641 HH12 ARG A 110 51.962 2.449 -1.999 1.00 0.00 H ATOM 642 HH11 ARG A 110 52.707 0.907 -2.557 1.00 0.00 H ATOM 643 HH22 ARG A 110 53.267 4.108 -1.135 1.00 0.00 H ATOM 644 HH21 ARG A 110 55.050 3.891 -1.004 1.00 0.00 H ATOM 645 H ARG A 110 56.993 -2.387 -1.351 1.00 0.00 H ATOM 646 N VAL A 112 56.691 -0.105 2.329 1.00 16.99 N ATOM 647 CA VAL A 112 56.638 -0.441 3.751 1.00 15.49 C ATOM 648 C VAL A 112 55.269 -1.028 4.022 1.00 14.48 C ATOM 649 O VAL A 112 54.253 -0.382 3.722 1.00 14.35 O ATOM 650 CB VAL A 112 56.885 0.782 4.654 1.00 17.20 C ATOM 651 CG1 VAL A 112 56.629 0.413 6.110 1.00 17.77 C ATOM 652 CG2 VAL A 112 58.297 1.295 4.471 1.00 17.25 C ATOM 653 H VAL A 112 56.608 0.886 2.024 1.00 0.00 H ATOM 654 N THR A 113 55.224 -2.258 4.528 1.00 14.79 N ATOM 655 CA THR A 113 53.945 -2.949 4.734 1.00 15.36 C ATOM 656 C THR A 113 53.528 -3.059 6.195 1.00 15.95 C ATOM 657 O THR A 113 52.343 -3.187 6.479 1.00 16.25 O ATOM 658 CB THR A 113 53.962 -4.377 4.162 1.00 16.31 C ATOM 659 OG1 THR A 113 55.028 -5.143 4.758 1.00 17.02 O ATOM 660 CG2 THR A 113 54.140 -4.321 2.647 1.00 18.51 C ATOM 661 HG1 THR A 113 54.892 -5.189 5.738 1.00 0.00 H ATOM 662 H THR A 113 56.111 -2.738 4.782 1.00 0.00 H ATOM 663 N ASP A 114 54.511 -3.062 7.093 1.00 16.35 N ATOM 664 CA ASP A 114 54.293 -3.376 8.509 1.00 16.09 C ATOM 665 C ASP A 114 55.264 -2.574 9.340 1.00 14.17 C ATOM 666 O ASP A 114 56.414 -2.360 8.925 1.00 13.68 O ATOM 667 CB ASP A 114 54.504 -4.861 8.815 1.00 17.36 C ATOM 668 CG ASP A 114 53.509 -5.762 8.113 1.00 19.69 C ATOM 669 OD1 ASP A 114 53.734 -6.062 6.926 1.00 19.81 O ATOM 670 OD2 ASP A 114 52.531 -6.196 8.762 1.00 18.17 O ATOM 671 H ASP A 114 55.475 -2.832 6.777 1.00 0.00 H ATOM 672 N VAL A 115 54.815 -2.163 10.518 1.00 12.60 N ATOM 673 CA VAL A 115 55.694 -1.568 11.543 1.00 13.13 C ATOM 674 C VAL A 115 55.426 -2.242 12.907 1.00 13.76 C ATOM 675 O VAL A 115 54.266 -2.511 13.234 1.00 16.57 O ATOM 676 CB VAL A 115 55.471 -0.054 11.678 1.00 14.40 C ATOM 677 CG1 VAL A 115 56.311 0.539 12.809 1.00 14.46 C ATOM 678 CG2 VAL A 115 55.737 0.652 10.347 1.00 17.75 C ATOM 679 H VAL A 115 53.801 -2.264 10.728 1.00 0.00 H ATOM 680 N ILE A 116 56.483 -2.528 13.675 1.00 15.37 N ATOM 681 CA ILE A 116 56.333 -2.986 15.041 1.00 14.57 C ATOM 682 C ILE A 116 56.662 -1.811 15.991 1.00 13.53 C ATOM 683 O ILE A 116 57.754 -1.253 15.964 1.00 14.43 O ATOM 684 CB ILE A 116 57.232 -4.213 15.324 1.00 15.99 C ATOM 685 CG1 ILE A 116 56.815 -5.390 14.447 1.00 17.91 C ATOM 686 CG2 ILE A 116 57.157 -4.658 16.779 1.00 14.93 C ATOM 687 CD1 ILE A 116 57.876 -6.475 14.361 1.00 19.89 C ATOM 688 H ILE A 116 57.439 -2.419 13.281 1.00 0.00 H ATOM 689 N ILE A 117 55.674 -1.444 16.803 1.00 14.76 N ATOM 690 CA ILE A 117 55.772 -0.346 17.759 1.00 16.48 C ATOM 691 C ILE A 117 56.185 -0.928 19.129 1.00 16.39 C ATOM 692 O ILE A 117 55.481 -1.785 19.681 1.00 15.58 O ATOM 693 CB ILE A 117 54.444 0.402 17.875 1.00 15.47 C ATOM 694 CG1 ILE A 117 53.957 0.976 16.532 1.00 17.29 C ATOM 695 CG2 ILE A 117 54.525 1.551 18.875 1.00 16.28 C ATOM 696 CD1 ILE A 117 54.874 2.014 15.939 1.00 18.31 C ATOM 697 H ILE A 117 54.779 -1.971 16.753 1.00 0.00 H ATOM 698 N THR A 118 57.319 -0.493 19.671 1.00 16.54 N ATOM 699 CA THR A 118 57.875 -1.174 20.843 1.00 14.45 C ATOM 700 C THR A 118 57.420 -0.579 22.181 1.00 13.59 C ATOM 701 O THR A 118 57.598 -1.213 23.206 1.00 13.42 O ATOM 702 CB THR A 118 59.417 -1.232 20.811 1.00 15.92 C ATOM 703 OG1 THR A 118 59.988 0.093 20.779 1.00 15.88 O ATOM 704 CG2 THR A 118 59.890 -2.055 19.603 1.00 14.62 C ATOM 705 HG1 THR A 118 59.672 0.568 19.970 1.00 0.00 H ATOM 706 H THR A 118 57.810 0.329 19.264 1.00 0.00 H ATOM 707 N HIS A 119 56.840 0.620 22.185 1.00 14.69 N ATOM 708 CA HIS A 119 56.034 1.100 23.330 1.00 12.49 C ATOM 709 C HIS A 119 55.359 2.406 22.932 1.00 14.58 C ATOM 710 O HIS A 119 55.605 2.926 21.846 1.00 15.46 O ATOM 711 CB HIS A 119 56.847 1.252 24.662 1.00 13.64 C ATOM 712 CG HIS A 119 57.869 2.350 24.675 1.00 14.53 C ATOM 713 ND1 HIS A 119 59.139 2.185 24.161 1.00 14.64 N ATOM 714 CD2 HIS A 119 57.842 3.591 25.215 1.00 15.81 C ATOM 715 CE1 HIS A 119 59.831 3.296 24.338 1.00 17.30 C ATOM 716 NE2 HIS A 119 59.070 4.165 24.978 1.00 16.67 N ATOM 717 H HIS A 119 56.957 1.239 21.357 1.00 0.00 H ATOM 718 N ALA A 120 54.492 2.919 23.800 1.00 14.61 N ATOM 719 CA ALA A 120 53.595 4.021 23.439 1.00 15.40 C ATOM 720 C ALA A 120 54.117 5.437 23.716 1.00 21.54 C ATOM 721 O ALA A 120 53.328 6.330 23.939 1.00 25.47 O ATOM 722 CB ALA A 120 52.262 3.830 24.154 1.00 17.70 C ATOM 723 H ALA A 120 54.449 2.527 24.762 1.00 0.00 H ATOM 724 N HIS A 121 55.428 5.663 23.652 1.00 20.92 N ATOM 725 CA HIS A 121 55.973 7.022 23.719 1.00 21.77 C ATOM 726 C HIS A 121 56.166 7.587 22.306 1.00 21.33 C ATOM 727 O HIS A 121 56.197 6.835 21.345 1.00 21.45 O ATOM 728 CB HIS A 121 57.310 7.027 24.475 1.00 20.48 C ATOM 729 CG HIS A 121 57.174 7.045 25.957 1.00 21.19 C ATOM 730 ND1 HIS A 121 58.187 6.617 26.799 1.00 20.43 N ATOM 731 CD2 HIS A 121 56.178 7.493 26.758 1.00 21.22 C ATOM 732 CE1 HIS A 121 57.810 6.801 28.049 1.00 23.11 C ATOM 733 NE2 HIS A 121 56.597 7.329 28.051 1.00 23.18 N ATOM 734 H HIS A 121 56.079 4.858 23.552 1.00 0.00 H ATOM 735 N ALA A 122 56.327 8.906 22.195 1.00 24.74 N ATOM 736 CA ALA A 122 56.407 9.586 20.907 1.00 26.76 C ATOM 737 C ALA A 122 57.539 9.133 19.996 1.00 27.27 C ATOM 738 O ALA A 122 57.327 9.037 18.780 1.00 26.55 O ATOM 739 CB ALA A 122 56.518 11.069 21.120 1.00 32.28 C ATOM 740 H ALA A 122 56.399 9.474 23.063 1.00 0.00 H ATOM 741 N ASP A 123 58.730 8.863 20.533 1.00 27.01 N ATOM 742 CA ASP A 123 59.827 8.471 19.650 1.00 27.74 C ATOM 743 C ASP A 123 59.511 7.146 18.978 1.00 26.20 C ATOM 744 O ASP A 123 60.053 6.828 17.913 1.00 25.65 O ATOM 745 CB ASP A 123 61.194 8.420 20.387 1.00 28.89 C ATOM 746 CG ASP A 123 61.198 7.552 21.658 1.00 28.51 C ATOM 747 OD1 ASP A 123 60.121 7.279 22.228 1.00 24.82 O ATOM 748 OD2 ASP A 123 62.321 7.173 22.102 1.00 31.31 O ATOM 749 H ASP A 123 58.875 8.930 21.561 1.00 0.00 H ATOM 750 N ARG A 124 58.581 6.388 19.555 1.00 25.27 N ATOM 751 CA ARG A 124 58.198 5.097 18.968 1.00 21.42 C ATOM 752 C ARG A 124 56.976 5.167 18.061 1.00 21.86 C ATOM 753 O ARG A 124 56.966 4.569 16.980 1.00 22.99 O ATOM 754 CB ARG A 124 57.917 4.081 20.083 1.00 18.60 C ATOM 755 CG ARG A 124 59.030 3.970 21.103 1.00 20.11 C ATOM 756 CD ARG A 124 60.312 3.440 20.480 1.00 22.50 C ATOM 757 NE ARG A 124 61.440 4.315 20.690 1.00 24.04 N ATOM 758 CZ ARG A 124 62.623 4.185 20.098 1.00 27.95 C ATOM 759 NH1 ARG A 124 62.826 3.224 19.214 1.00 30.02 N ATOM 760 NH2 ARG A 124 63.601 5.026 20.386 1.00 29.27 N ATOM 761 HE ARG A 124 61.318 5.106 21.354 1.00 0.00 H ATOM 762 HH12 ARG A 124 63.754 3.128 18.754 1.00 0.00 H ATOM 763 HH11 ARG A 124 62.058 2.564 18.978 1.00 0.00 H ATOM 764 HH22 ARG A 124 64.527 4.925 19.923 1.00 0.00 H ATOM 765 HH21 ARG A 124 63.445 5.789 21.075 1.00 0.00 H ATOM 766 H ARG A 124 58.121 6.713 20.430 1.00 0.00 H ATOM 767 N ILE A 125 55.957 5.879 18.531 1.00 21.89 N ATOM 768 CA ILE A 125 54.611 5.828 17.969 1.00 20.58 C ATOM 769 C ILE A 125 54.138 7.156 17.366 1.00 19.81 C ATOM 770 O ILE A 125 52.997 7.265 16.890 1.00 21.07 O ATOM 771 CB ILE A 125 53.611 5.391 19.064 1.00 18.83 C ATOM 772 CG1 ILE A 125 52.405 4.675 18.472 1.00 22.28 C ATOM 773 CG2 ILE A 125 53.180 6.564 19.946 1.00 21.78 C ATOM 774 CD1 ILE A 125 51.466 4.106 19.527 1.00 24.31 C ATOM 775 H ILE A 125 56.128 6.506 19.343 1.00 0.00 H ATOM 776 N GLY A 126 55.015 8.157 17.365 1.00 19.92 N ATOM 777 CA GLY A 126 54.643 9.492 16.918 1.00 21.20 C ATOM 778 C GLY A 126 54.096 9.546 15.498 1.00 20.48 C ATOM 779 O GLY A 126 53.347 10.478 15.124 1.00 20.76 O ATOM 780 H GLY A 126 55.987 7.982 17.691 1.00 0.00 H ATOM 781 N GLY A 127 54.470 8.553 14.702 1.00 19.54 N ATOM 782 CA GLY A 127 54.085 8.508 13.298 1.00 20.97 C ATOM 783 C GLY A 127 52.878 7.645 12.999 1.00 19.10 C ATOM 784 O GLY A 127 52.605 7.344 11.830 1.00 18.24 O ATOM 785 H GLY A 127 55.054 7.786 15.091 1.00 0.00 H ATOM 786 N ILE A 128 52.132 7.266 14.040 1.00 17.72 N ATOM 787 CA ILE A 128 51.082 6.280 13.874 1.00 19.00 C ATOM 788 C ILE A 128 49.969 6.744 12.900 1.00 14.65 C ATOM 789 O ILE A 128 49.410 5.925 12.173 1.00 16.18 O ATOM 790 CB ILE A 128 50.476 5.870 15.248 1.00 16.80 C ATOM 791 CG1 ILE A 128 49.403 4.806 15.072 1.00 21.23 C ATOM 792 CG2 ILE A 128 49.896 7.037 15.990 1.00 18.05 C ATOM 793 CD1 ILE A 128 49.913 3.514 14.595 1.00 22.30 C ATOM 794 H ILE A 128 52.306 7.682 14.977 1.00 0.00 H ATOM 795 N LYS A 129 49.668 8.037 12.874 1.00 16.23 N ATOM 796 CA LYS A 129 48.670 8.589 11.968 1.00 19.20 C ATOM 797 C LYS A 129 49.091 8.346 10.519 1.00 19.51 C ATOM 798 O LYS A 129 48.272 7.984 9.666 1.00 18.39 O ATOM 799 CB LYS A 129 48.485 10.085 12.217 1.00 23.07 C ATOM 800 CG LYS A 129 47.504 10.787 11.307 1.00 28.93 C ATOM 801 CD LYS A 129 47.415 12.272 11.656 1.00 37.14 C ATOM 802 CE LYS A 129 46.729 13.070 10.560 1.00 43.44 C ATOM 803 NZ LYS A 129 45.271 12.787 10.514 1.00 47.51 N ATOM 804 HZ1 LYS A 129 45.121 11.775 10.329 1.00 0.00 H ATOM 805 HZ2 LYS A 129 44.841 13.041 11.426 1.00 0.00 H ATOM 806 HZ3 LYS A 129 44.834 13.348 9.755 1.00 0.00 H ATOM 807 H LYS A 129 50.163 8.680 13.525 1.00 0.00 H ATOM 808 N THR A 130 50.371 8.548 10.246 1.00 17.82 N ATOM 809 CA THR A 130 50.891 8.316 8.898 1.00 18.07 C ATOM 810 C THR A 130 50.748 6.841 8.537 1.00 19.58 C ATOM 811 O THR A 130 50.306 6.496 7.432 1.00 20.47 O ATOM 812 CB THR A 130 52.364 8.751 8.787 1.00 18.51 C ATOM 813 OG1 THR A 130 52.448 10.159 8.993 1.00 19.21 O ATOM 814 CG2 THR A 130 52.933 8.415 7.418 1.00 21.05 C ATOM 815 HG1 THR A 130 52.100 10.381 9.893 1.00 0.00 H ATOM 816 H THR A 130 51.013 8.875 10.997 1.00 0.00 H ATOM 817 N LEU A 131 51.114 5.957 9.460 1.00 18.54 N ATOM 818 CA LEU A 131 50.986 4.532 9.174 1.00 18.28 C ATOM 819 C LEU A 131 49.525 4.157 8.846 1.00 19.10 C ATOM 820 O LEU A 131 49.251 3.529 7.825 1.00 19.19 O ATOM 821 CB LEU A 131 51.490 3.703 10.345 1.00 16.22 C ATOM 822 CG LEU A 131 52.892 4.065 10.843 1.00 16.39 C ATOM 823 CD1 LEU A 131 53.270 3.124 11.999 1.00 18.31 C ATOM 824 CD2 LEU A 131 53.967 4.067 9.757 1.00 15.95 C ATOM 825 H LEU A 131 51.488 6.278 10.376 1.00 0.00 H ATOM 826 N LYS A 132 48.580 4.557 9.697 1.00 20.11 N ATOM 827 CA LYS A 132 47.179 4.194 9.484 1.00 21.41 C ATOM 828 C LYS A 132 46.639 4.700 8.158 1.00 20.65 C ATOM 829 O LYS A 132 45.935 3.986 7.464 1.00 23.37 O ATOM 830 CB LYS A 132 46.309 4.724 10.619 1.00 26.08 C ATOM 831 CG LYS A 132 46.668 4.154 11.990 1.00 30.43 C ATOM 832 CD LYS A 132 46.194 2.721 12.187 1.00 35.73 C ATOM 833 CE LYS A 132 44.674 2.600 12.406 1.00 39.17 C ATOM 834 NZ LYS A 132 44.245 2.840 13.820 1.00 40.89 N ATOM 835 HZ1 LYS A 132 44.703 2.144 14.443 1.00 0.00 H ATOM 836 HZ2 LYS A 132 44.523 3.800 14.107 1.00 0.00 H ATOM 837 HZ3 LYS A 132 43.212 2.742 13.889 1.00 0.00 H ATOM 838 H LYS A 132 48.842 5.134 10.522 1.00 0.00 H ATOM 839 N GLU A 133 46.929 5.940 7.804 1.00 18.73 N ATOM 840 CA GLU A 133 46.292 6.495 6.638 1.00 19.61 C ATOM 841 C GLU A 133 46.915 5.949 5.343 1.00 18.60 C ATOM 842 O GLU A 133 46.286 6.011 4.305 1.00 19.64 O ATOM 843 CB GLU A 133 46.351 8.016 6.678 1.00 22.81 C ATOM 844 CG GLU A 133 47.695 8.594 6.392 1.00 23.09 C ATOM 845 CD GLU A 133 47.788 10.071 6.736 1.00 27.80 C ATOM 846 OE1 GLU A 133 46.761 10.661 7.126 1.00 31.01 O ATOM 847 OE2 GLU A 133 48.893 10.643 6.609 1.00 27.53 O ATOM 848 H GLU A 133 47.605 6.504 8.357 1.00 0.00 H ATOM 849 N ARG A 134 48.121 5.390 5.430 1.00 17.94 N ATOM 850 CA ARG A 134 48.758 4.767 4.262 1.00 18.96 C ATOM 851 C ARG A 134 48.500 3.269 4.144 1.00 18.72 C ATOM 852 O ARG A 134 48.955 2.623 3.177 1.00 18.93 O ATOM 853 CB ARG A 134 50.260 5.007 4.301 1.00 18.00 C ATOM 854 CG ARG A 134 50.607 6.452 4.088 1.00 20.90 C ATOM 855 CD ARG A 134 52.065 6.675 3.965 1.00 20.44 C ATOM 856 NE ARG A 134 52.318 8.105 3.818 1.00 22.25 N ATOM 857 CZ ARG A 134 53.444 8.634 3.358 1.00 24.31 C ATOM 858 NH1 ARG A 134 54.458 7.853 2.992 1.00 23.66 N ATOM 859 NH2 ARG A 134 53.554 9.958 3.265 1.00 27.87 N ATOM 860 HE ARG A 134 51.558 8.759 4.095 1.00 0.00 H ATOM 861 HH12 ARG A 134 55.337 8.277 2.632 1.00 0.00 H ATOM 862 HH11 ARG A 134 54.371 6.819 3.066 1.00 0.00 H ATOM 863 HH22 ARG A 134 54.433 10.383 2.906 1.00 0.00 H ATOM 864 HH21 ARG A 134 52.761 10.567 3.552 1.00 0.00 H ATOM 865 H ARG A 134 48.621 5.395 6.342 1.00 0.00 H ATOM 866 N GLY A 136 47.778 2.708 5.102 1.00 16.31 N ATOM 867 CA GLY A 136 47.474 1.285 5.055 1.00 17.08 C ATOM 868 C GLY A 136 48.652 0.404 5.458 1.00 18.61 C ATOM 869 O GLY A 136 48.773 -0.732 4.999 1.00 19.86 O ATOM 870 H GLY A 136 47.427 3.287 5.892 1.00 0.00 H ATOM 871 N ILE A 137 49.520 0.966 6.295 1.00 16.74 N ATOM 872 CA ILE A 137 50.663 0.261 6.883 1.00 15.66 C ATOM 873 C ILE A 137 50.247 -0.365 8.204 1.00 16.44 C ATOM 874 O ILE A 137 49.739 0.318 9.066 1.00 17.62 O ATOM 875 CB ILE A 137 51.844 1.216 7.127 1.00 15.76 C ATOM 876 CG1 ILE A 137 52.381 1.732 5.791 1.00 17.87 C ATOM 877 CG2 ILE A 137 52.984 0.486 7.895 1.00 15.66 C ATOM 878 CD1 ILE A 137 53.274 2.937 5.876 1.00 18.10 C ATOM 879 H ILE A 137 49.379 1.965 6.547 1.00 0.00 H ATOM 880 N LYS A 138 50.454 -1.668 8.362 1.00 16.28 N ATOM 881 CA LYS A 138 49.971 -2.337 9.567 1.00 17.29 C ATOM 882 C LYS A 138 50.885 -1.991 10.743 1.00 18.14 C ATOM 883 O LYS A 138 52.096 -2.151 10.641 1.00 20.30 O ATOM 884 CB LYS A 138 49.911 -3.841 9.355 1.00 20.29 C ATOM 885 CG LYS A 138 48.934 -4.290 8.323 1.00 28.67 C ATOM 886 CD LYS A 138 49.003 -5.796 8.176 1.00 37.45 C ATOM 887 CE LYS A 138 48.212 -6.299 6.994 1.00 44.54 C ATOM 888 NZ LYS A 138 48.980 -6.261 5.713 1.00 47.74 N ATOM 889 HZ1 LYS A 138 49.263 -5.281 5.509 1.00 0.00 H ATOM 890 HZ2 LYS A 138 49.828 -6.857 5.801 1.00 0.00 H ATOM 891 HZ3 LYS A 138 48.382 -6.619 4.941 1.00 0.00 H ATOM 892 H LYS A 138 50.958 -2.209 7.631 1.00 0.00 H ATOM 893 N ALA A 139 50.306 -1.498 11.831 1.00 16.93 N ATOM 894 CA ALA A 139 51.073 -1.081 13.004 1.00 16.28 C ATOM 895 C ALA A 139 50.845 -2.080 14.130 1.00 15.91 C ATOM 896 O ALA A 139 49.801 -2.054 14.792 1.00 17.03 O ATOM 897 CB ALA A 139 50.677 0.317 13.446 1.00 17.06 C ATOM 898 H ALA A 139 49.270 -1.405 11.850 1.00 0.00 H ATOM 899 N HIS A 140 51.812 -2.977 14.316 1.00 14.83 N ATOM 900 CA HIS A 140 51.692 -4.048 15.303 1.00 13.17 C ATOM 901 C HIS A 140 52.088 -3.560 16.669 1.00 14.08 C ATOM 902 O HIS A 140 52.993 -2.720 16.801 1.00 13.83 O ATOM 903 CB HIS A 140 52.562 -5.247 14.905 1.00 13.51 C ATOM 904 CG HIS A 140 52.259 -5.781 13.540 1.00 14.90 C ATOM 905 ND1 HIS A 140 51.291 -6.733 13.323 1.00 17.16 N ATOM 906 CD2 HIS A 140 52.777 -5.494 12.319 1.00 14.31 C ATOM 907 CE1 HIS A 140 51.223 -7.009 12.030 1.00 20.05 C ATOM 908 NE2 HIS A 140 52.116 -6.271 11.399 1.00 16.19 N ATOM 909 H HIS A 140 52.677 -2.913 13.742 1.00 0.00 H ATOM 910 N SER A 141 51.400 -4.067 17.689 1.00 15.64 N ATOM 911 CA SER A 141 51.772 -3.770 19.069 1.00 15.54 C ATOM 912 C SER A 141 51.106 -4.747 20.006 1.00 15.12 C ATOM 913 O SER A 141 50.204 -5.482 19.609 1.00 16.39 O ATOM 914 CB SER A 141 51.346 -2.350 19.466 1.00 14.98 C ATOM 915 OG SER A 141 49.934 -2.319 19.655 1.00 17.14 O ATOM 916 HG SER A 141 49.684 -2.954 20.372 1.00 0.00 H ATOM 917 H SER A 141 50.585 -4.684 17.500 1.00 0.00 H ATOM 918 N THR A 142 51.520 -4.729 21.265 1.00 15.93 N ATOM 919 CA THR A 142 50.782 -5.436 22.299 1.00 15.96 C ATOM 920 C THR A 142 49.465 -4.726 22.579 1.00 15.46 C ATOM 921 O THR A 142 49.266 -3.560 22.219 1.00 14.09 O ATOM 922 CB THR A 142 51.575 -5.530 23.614 1.00 16.03 C ATOM 923 OG1 THR A 142 51.757 -4.216 24.140 1.00 14.42 O ATOM 924 CG2 THR A 142 52.894 -6.225 23.415 1.00 14.31 C ATOM 925 HG1 THR A 142 52.267 -4.269 24.987 1.00 0.00 H ATOM 926 H THR A 142 52.382 -4.204 21.516 1.00 0.00 H ATOM 927 N ALA A 143 48.543 -5.423 23.229 1.00 15.45 N ATOM 928 CA ALA A 143 47.288 -4.793 23.622 1.00 16.03 C ATOM 929 C ALA A 143 47.535 -3.642 24.603 1.00 17.22 C ATOM 930 O ALA A 143 46.872 -2.580 24.546 1.00 17.26 O ATOM 931 CB ALA A 143 46.329 -5.829 24.237 1.00 19.69 C ATOM 932 H ALA A 143 48.716 -6.422 23.459 1.00 0.00 H ATOM 933 N LEU A 144 48.505 -3.828 25.495 1.00 15.92 N ATOM 934 CA LEU A 144 48.789 -2.800 26.486 1.00 15.60 C ATOM 935 C LEU A 144 49.312 -1.530 25.819 1.00 14.61 C ATOM 936 O LEU A 144 48.908 -0.430 26.174 1.00 16.56 O ATOM 937 CB LEU A 144 49.782 -3.350 27.532 1.00 13.99 C ATOM 938 CG LEU A 144 50.218 -2.398 28.649 1.00 16.84 C ATOM 939 CD1 LEU A 144 49.023 -1.847 29.439 1.00 19.97 C ATOM 940 CD2 LEU A 144 51.176 -3.128 29.604 1.00 17.75 C ATOM 941 H LEU A 144 49.060 -4.707 25.484 1.00 0.00 H ATOM 942 N THR A 145 50.189 -1.688 24.838 1.00 15.67 N ATOM 943 CA THR A 145 50.725 -0.552 24.081 1.00 16.40 C ATOM 944 C THR A 145 49.605 0.170 23.356 1.00 16.33 C ATOM 945 O THR A 145 49.557 1.392 23.321 1.00 17.32 O ATOM 946 CB THR A 145 51.810 -1.008 23.087 1.00 14.94 C ATOM 947 OG1 THR A 145 52.958 -1.464 23.815 1.00 14.06 O ATOM 948 CG2 THR A 145 52.233 0.136 22.143 1.00 14.69 C ATOM 949 HG1 THR A 145 53.308 -0.725 24.373 1.00 0.00 H ATOM 950 H THR A 145 50.507 -2.648 24.597 1.00 0.00 H ATOM 951 N ALA A 146 48.668 -0.583 22.818 1.00 15.61 N ATOM 952 CA ALA A 146 47.552 0.035 22.122 1.00 17.29 C ATOM 953 C ALA A 146 46.660 0.818 23.102 1.00 18.83 C ATOM 954 O ALA A 146 46.229 1.938 22.816 1.00 19.49 O ATOM 955 CB ALA A 146 46.763 -1.010 21.393 1.00 16.64 C ATOM 956 H ALA A 146 48.727 -1.619 22.891 1.00 0.00 H ATOM 957 N GLU A 147 46.425 0.239 24.271 1.00 20.22 N ATOM 958 CA GLU A 147 45.605 0.880 25.298 1.00 22.90 C ATOM 959 C GLU A 147 46.250 2.202 25.734 1.00 23.08 C ATOM 960 O GLU A 147 45.570 3.228 25.854 1.00 24.28 O ATOM 961 CB GLU A 147 45.423 -0.057 26.508 1.00 23.52 C ATOM 962 CG GLU A 147 44.398 0.442 27.525 1.00 25.32 C ATOM 963 CD GLU A 147 44.126 -0.542 28.646 1.00 25.85 C ATOM 964 OE1 GLU A 147 44.993 -1.411 28.868 1.00 25.76 O ATOM 965 OE2 GLU A 147 43.047 -0.440 29.298 1.00 21.32 O ATOM 966 H GLU A 147 46.835 -0.697 24.463 1.00 0.00 H ATOM 967 N LEU A 148 47.556 2.151 25.976 1.00 21.38 N ATOM 968 CA LEU A 148 48.296 3.317 26.435 1.00 21.12 C ATOM 969 C LEU A 148 48.339 4.382 25.353 1.00 20.66 C ATOM 970 O LEU A 148 48.186 5.565 25.653 1.00 21.61 O ATOM 971 CB LEU A 148 49.720 2.927 26.858 1.00 18.00 C ATOM 972 CG LEU A 148 49.818 2.067 28.124 1.00 18.55 C ATOM 973 CD1 LEU A 148 51.217 1.600 28.404 1.00 18.55 C ATOM 974 CD2 LEU A 148 49.258 2.819 29.322 1.00 22.26 C ATOM 975 H LEU A 148 48.063 1.254 25.834 1.00 0.00 H ATOM 976 N ALA A 149 48.529 3.961 24.103 1.00 19.20 N ATOM 977 CA ALA A 149 48.446 4.882 22.976 1.00 20.71 C ATOM 978 C ALA A 149 47.110 5.627 23.003 1.00 24.44 C ATOM 979 O ALA A 149 47.077 6.861 22.925 1.00 24.14 O ATOM 980 CB ALA A 149 48.626 4.120 21.624 1.00 22.24 C ATOM 981 H ALA A 149 48.740 2.958 23.928 1.00 0.00 H ATOM 982 N LYS A 150 46.017 4.879 23.146 1.00 26.29 N ATOM 983 CA LYS A 150 44.665 5.470 23.129 1.00 29.77 C ATOM 984 C LYS A 150 44.497 6.432 24.287 1.00 31.41 C ATOM 985 O LYS A 150 43.956 7.524 24.128 1.00 32.61 O ATOM 986 CB LYS A 150 43.577 4.377 23.182 1.00 30.93 C ATOM 987 CG LYS A 150 42.137 4.921 23.163 1.00 36.19 C ATOM 988 CD LYS A 150 41.103 3.823 22.926 1.00 38.10 C ATOM 989 H LYS A 150 46.119 3.852 23.273 1.00 0.00 H ATOM 990 N LYS A 151 44.973 6.013 25.452 1.00 31.73 N ATOM 991 CA LYS A 151 44.919 6.825 26.664 1.00 35.02 C ATOM 992 C LYS A 151 45.608 8.166 26.428 1.00 33.12 C ATOM 993 O LYS A 151 45.135 9.206 26.874 1.00 35.60 O ATOM 994 CB LYS A 151 45.587 6.075 27.830 1.00 36.76 C ATOM 995 CG LYS A 151 45.332 6.645 29.208 1.00 42.43 C ATOM 996 CD LYS A 151 46.125 5.885 30.279 1.00 43.28 C ATOM 997 H LYS A 151 45.402 5.067 25.504 1.00 0.00 H ATOM 998 N ASN A 152 46.726 8.128 25.710 1.00 29.31 N ATOM 999 CA ASN A 152 47.529 9.317 25.480 1.00 28.00 C ATOM 1000 C ASN A 152 47.153 10.072 24.187 1.00 27.15 C ATOM 1001 O ASN A 152 47.822 11.015 23.789 1.00 27.77 O ATOM 1002 CB ASN A 152 48.988 8.923 25.482 1.00 26.76 C ATOM 1003 CG ASN A 152 49.406 8.318 26.826 1.00 28.22 C ATOM 1004 OD1 ASN A 152 48.884 8.691 27.863 1.00 32.70 O ATOM 1005 ND2 ASN A 152 50.286 7.370 26.797 1.00 28.37 N ATOM 1006 HD22 ASN A 152 50.709 7.080 25.892 1.00 0.00 H ATOM 1007 HD21 ASN A 152 50.571 6.898 27.679 1.00 0.00 H ATOM 1008 H ASN A 152 47.034 7.223 25.302 1.00 0.00 H ATOM 1009 N GLY A 153 46.062 9.676 23.560 1.00 26.86 N ATOM 1010 CA GLY A 153 45.509 10.470 22.466 1.00 29.19 C ATOM 1011 C GLY A 153 46.085 10.168 21.097 1.00 29.73 C ATOM 1012 O GLY A 153 45.894 10.934 20.142 1.00 30.12 O ATOM 1013 H GLY A 153 45.593 8.793 23.846 1.00 0.00 H ATOM 1014 N TYR A 170 46.776 9.045 20.995 1.00 30.52 N ATOM 1015 CA TYR A 170 47.281 8.570 19.720 1.00 34.15 C ATOM 1016 C TYR A 170 46.293 7.617 19.087 1.00 31.39 C ATOM 1017 O TYR A 170 45.538 6.952 19.781 1.00 29.67 O ATOM 1018 CB TYR A 170 48.608 7.858 19.891 1.00 37.99 C ATOM 1019 CG TYR A 170 49.778 8.767 20.150 1.00 45.19 C ATOM 1020 CD1 TYR A 170 50.229 9.645 19.181 1.00 48.60 C ATOM 1021 CD2 TYR A 170 50.457 8.719 21.359 1.00 49.29 C ATOM 1022 CE1 TYR A 170 51.309 10.465 19.411 1.00 52.45 C ATOM 1023 CE2 TYR A 170 51.539 9.538 21.600 1.00 52.40 C ATOM 1024 CZ TYR A 170 51.958 10.412 20.620 1.00 54.22 C ATOM 1025 OH TYR A 170 53.040 11.220 20.849 1.00 56.45 O ATOM 1026 HH TYR A 170 53.206 11.781 20.051 1.00 0.00 H ATOM 1027 H TYR A 170 46.963 8.487 21.852 1.00 0.00 H ATOM 1028 N GLU A 171 46.330 7.527 17.767 1.00 30.52 N ATOM 1029 CA GLU A 171 45.543 6.534 17.076 1.00 28.81 C ATOM 1030 C GLU A 171 46.079 5.174 17.498 1.00 23.73 C ATOM 1031 O GLU A 171 47.239 5.052 17.914 1.00 21.35 O ATOM 1032 CB GLU A 171 45.603 6.755 15.571 1.00 30.99 C ATOM 1033 CG GLU A 171 44.860 8.013 15.146 1.00 35.91 C ATOM 1034 CD GLU A 171 44.977 8.300 13.656 1.00 40.53 C ATOM 1035 OE1 GLU A 171 45.048 7.335 12.868 1.00 37.48 O ATOM 1036 OE2 GLU A 171 44.993 9.494 13.279 1.00 46.13 O ATOM 1037 H GLU A 171 46.932 8.178 17.223 1.00 0.00 H ATOM 1038 N GLU A 172 45.214 4.165 17.451 1.00 23.01 N ATOM 1039 CA GLU A 172 45.549 2.867 18.020 1.00 23.69 C ATOM 1040 C GLU A 172 46.264 1.927 17.058 1.00 20.58 C ATOM 1041 O GLU A 172 45.769 1.645 15.958 1.00 19.93 O ATOM 1042 CB GLU A 172 44.298 2.154 18.491 1.00 31.42 C ATOM 1043 CG GLU A 172 44.017 2.212 19.961 1.00 36.68 C ATOM 1044 CD GLU A 172 42.788 1.386 20.271 1.00 39.74 C ATOM 1045 OE1 GLU A 172 42.922 0.145 20.428 1.00 38.06 O ATOM 1046 OE2 GLU A 172 41.695 1.981 20.307 1.00 42.06 O ATOM 1047 H GLU A 172 44.286 4.305 17.002 1.00 0.00 H ATOM 1048 N PRO A 173 47.395 1.380 17.491 1.00 19.35 N ATOM 1049 CA PRO A 173 47.970 0.243 16.769 1.00 18.67 C ATOM 1050 C PRO A 173 47.131 -1.023 17.006 1.00 19.37 C ATOM 1051 O PRO A 173 46.104 -0.971 17.692 1.00 20.25 O ATOM 1052 CB PRO A 173 49.374 0.135 17.354 1.00 18.76 C ATOM 1053 CG PRO A 173 49.261 0.737 18.701 1.00 20.02 C ATOM 1054 CD PRO A 173 48.219 1.781 18.644 1.00 18.99 C ATOM 1055 N LEU A 174 47.555 -2.148 16.447 1.00 18.43 N ATOM 1056 CA LEU A 174 46.670 -3.317 16.324 1.00 19.13 C ATOM 1057 C LEU A 174 46.408 -4.088 17.605 1.00 17.42 C ATOM 1058 O LEU A 174 45.388 -4.769 17.726 1.00 17.76 O ATOM 1059 CB LEU A 174 47.255 -4.286 15.309 1.00 20.18 C ATOM 1060 CG LEU A 174 47.131 -3.818 13.860 1.00 21.50 C ATOM 1061 CD1 LEU A 174 48.086 -4.624 13.010 1.00 22.72 C ATOM 1062 CD2 LEU A 174 45.716 -3.993 13.395 1.00 23.40 C ATOM 1063 H LEU A 174 48.530 -2.205 16.089 1.00 0.00 H ATOM 1064 N GLY A 175 47.323 -3.999 18.559 1.00 16.67 N ATOM 1065 CA GLY A 175 47.218 -4.776 19.776 1.00 18.50 C ATOM 1066 C GLY A 175 47.217 -6.281 19.538 1.00 17.57 C ATOM 1067 O GLY A 175 46.592 -7.028 20.271 1.00 19.85 O ATOM 1068 H GLY A 175 48.132 -3.359 18.431 1.00 0.00 H ATOM 1069 N ASP A 176 47.933 -6.721 18.522 1.00 17.80 N ATOM 1070 CA ASP A 176 47.936 -8.126 18.126 1.00 20.25 C ATOM 1071 C ASP A 176 49.061 -8.951 18.722 1.00 19.79 C ATOM 1072 O ASP A 176 49.006 -10.178 18.664 1.00 23.10 O ATOM 1073 CB ASP A 176 48.008 -8.252 16.605 1.00 21.13 C ATOM 1074 CG ASP A 176 49.213 -7.530 15.995 1.00 19.93 C ATOM 1075 OD1 ASP A 176 49.668 -6.501 16.553 1.00 16.57 O ATOM 1076 OD2 ASP A 176 49.679 -7.983 14.917 1.00 21.93 O ATOM 1077 H ASP A 176 48.514 -6.046 17.986 1.00 0.00 H ATOM 1078 N LEU A 177 50.080 -8.300 19.266 1.00 17.51 N ATOM 1079 CA LEU A 177 51.244 -9.026 19.784 1.00 19.09 C ATOM 1080 C LEU A 177 50.971 -9.566 21.183 1.00 20.60 C ATOM 1081 O LEU A 177 50.445 -8.858 22.032 1.00 21.06 O ATOM 1082 CB LEU A 177 52.482 -8.127 19.806 1.00 17.36 C ATOM 1083 CG LEU A 177 52.864 -7.508 18.462 1.00 17.31 C ATOM 1084 CD1 LEU A 177 54.017 -6.568 18.663 1.00 16.05 C ATOM 1085 CD2 LEU A 177 53.182 -8.596 17.431 1.00 16.94 C ATOM 1086 H LEU A 177 50.053 -7.262 19.326 1.00 0.00 H ATOM 1087 N GLN A 178 51.307 -10.835 21.396 1.00 20.87 N ATOM 1088 CA GLN A 178 51.220 -11.466 22.712 1.00 23.03 C ATOM 1089 C GLN A 178 52.537 -11.293 23.484 1.00 21.07 C ATOM 1090 O GLN A 178 53.352 -10.455 23.143 1.00 23.27 O ATOM 1091 CB GLN A 178 50.874 -12.946 22.552 1.00 29.68 C ATOM 1092 CG GLN A 178 49.688 -13.187 21.639 1.00 37.21 C ATOM 1093 CD GLN A 178 48.496 -12.362 22.045 1.00 44.34 C ATOM 1094 OE1 GLN A 178 48.021 -12.448 23.181 1.00 46.94 O ATOM 1095 NE2 GLN A 178 48.011 -11.535 21.126 1.00 46.84 N ATOM 1096 HE22 GLN A 178 48.444 -11.496 20.181 1.00 0.00 H ATOM 1097 HE21 GLN A 178 47.198 -10.926 21.351 1.00 0.00 H ATOM 1098 H GLN A 178 51.646 -11.402 20.593 1.00 0.00 H ATOM 1099 N THR A 179 52.749 -12.081 24.527 1.00 20.00 N ATOM 1100 CA THR A 179 54.000 -11.967 25.280 1.00 19.30 C ATOM 1101 C THR A 179 55.158 -12.430 24.402 1.00 18.88 C ATOM 1102 O THR A 179 56.232 -11.834 24.388 1.00 18.54 O ATOM 1103 CB THR A 179 53.955 -12.781 26.566 1.00 23.58 C ATOM 1104 OG1 THR A 179 53.056 -12.134 27.465 1.00 25.85 O ATOM 1105 CG2 THR A 179 55.339 -12.862 27.203 1.00 22.24 C ATOM 1106 HG1 THR A 179 52.156 -12.090 27.055 1.00 0.00 H ATOM 1107 H THR A 179 52.030 -12.778 24.810 1.00 0.00 H ATOM 1108 N VAL A 180 54.916 -13.518 23.680 1.00 19.37 N ATOM 1109 CA VAL A 180 55.809 -13.964 22.625 1.00 20.17 C ATOM 1110 C VAL A 180 55.013 -14.085 21.331 1.00 20.02 C ATOM 1111 O VAL A 180 54.038 -14.807 21.300 1.00 20.35 O ATOM 1112 CB VAL A 180 56.443 -15.326 22.955 1.00 22.76 C ATOM 1113 CG1 VAL A 180 57.276 -15.824 21.775 1.00 24.11 C ATOM 1114 CG2 VAL A 180 57.289 -15.239 24.220 1.00 23.01 C ATOM 1115 H VAL A 180 54.057 -14.070 23.877 1.00 0.00 H ATOM 1116 N THR A 181 55.425 -13.397 20.276 1.00 18.99 N ATOM 1117 CA THR A 181 54.768 -13.553 18.979 1.00 20.50 C ATOM 1118 C THR A 181 55.819 -13.790 17.922 1.00 19.74 C ATOM 1119 O THR A 181 56.835 -13.119 17.895 1.00 18.90 O ATOM 1120 CB THR A 181 53.919 -12.322 18.631 1.00 19.50 C ATOM 1121 OG1 THR A 181 52.840 -12.228 19.567 1.00 19.28 O ATOM 1122 CG2 THR A 181 53.355 -12.400 17.215 1.00 21.46 C ATOM 1123 HG1 THR A 181 52.285 -13.046 19.512 1.00 0.00 H ATOM 1124 H THR A 181 56.225 -12.739 20.372 1.00 0.00 H ATOM 1125 N ASN A 182 55.592 -14.788 17.084 1.00 21.01 N ATOM 1126 CA ASN A 182 56.500 -15.055 15.975 1.00 21.86 C ATOM 1127 C ASN A 182 55.815 -14.712 14.674 1.00 23.75 C ATOM 1128 O ASN A 182 54.725 -15.209 14.387 1.00 23.18 O ATOM 1129 CB ASN A 182 56.975 -16.499 15.997 1.00 25.00 C ATOM 1130 CG ASN A 182 58.184 -16.676 16.901 1.00 28.57 C ATOM 1131 OD1 ASN A 182 59.314 -16.356 16.517 1.00 31.04 O ATOM 1132 ND2 ASN A 182 57.950 -17.143 18.113 1.00 28.65 N ATOM 1133 HD22 ASN A 182 56.982 -17.400 18.393 1.00 0.00 H ATOM 1134 HD21 ASN A 182 58.734 -17.254 18.788 1.00 0.00 H ATOM 1135 H ASN A 182 54.755 -15.390 17.218 1.00 0.00 H ATOM 1136 N LEU A 183 56.459 -13.803 13.941 1.00 24.24 N ATOM 1137 CA LEU A 183 56.007 -13.307 12.653 1.00 25.46 C ATOM 1138 C LEU A 183 56.988 -13.735 11.559 1.00 25.97 C ATOM 1139 O LEU A 183 58.159 -14.010 11.827 1.00 26.38 O ATOM 1140 CB LEU A 183 55.899 -11.784 12.684 1.00 25.27 C ATOM 1141 CG LEU A 183 55.021 -11.167 13.770 1.00 27.39 C ATOM 1142 CD1 LEU A 183 55.178 -9.644 13.757 1.00 28.75 C ATOM 1143 CD2 LEU A 183 53.591 -11.568 13.537 1.00 29.76 C ATOM 1144 H LEU A 183 57.350 -13.422 14.319 1.00 0.00 H ATOM 1145 N LYS A 184 56.512 -13.765 10.326 1.00 25.00 N ATOM 1146 CA LYS A 184 57.382 -14.004 9.188 1.00 26.88 C ATOM 1147 C LYS A 184 56.952 -13.120 8.032 1.00 28.74 C ATOM 1148 O LYS A 184 55.784 -13.097 7.656 1.00 28.39 O ATOM 1149 CB LYS A 184 57.362 -15.478 8.769 1.00 32.58 C ATOM 1150 CG LYS A 184 58.483 -15.849 7.782 1.00 37.29 C ATOM 1151 CD LYS A 184 58.622 -17.350 7.609 1.00 41.93 C ATOM 1152 CE LYS A 184 59.380 -17.709 6.342 1.00 45.61 C ATOM 1153 H LYS A 184 55.495 -13.615 10.168 1.00 0.00 H ATOM 1154 N PHE A 185 57.906 -12.391 7.472 1.00 29.18 N ATOM 1155 CA PHE A 185 57.640 -11.501 6.351 1.00 29.99 C ATOM 1156 C PHE A 185 58.546 -11.945 5.223 1.00 32.36 C ATOM 1157 O PHE A 185 59.747 -11.686 5.248 1.00 32.27 O ATOM 1158 CB PHE A 185 57.899 -10.039 6.731 1.00 27.95 C ATOM 1159 CG PHE A 185 57.172 -9.576 7.964 1.00 26.66 C ATOM 1160 CD1 PHE A 185 55.909 -9.032 7.881 1.00 26.96 C ATOM 1161 CD2 PHE A 185 57.773 -9.647 9.206 1.00 26.07 C ATOM 1162 CE1 PHE A 185 55.263 -8.594 8.985 1.00 25.78 C ATOM 1163 CE2 PHE A 185 57.126 -9.204 10.319 1.00 26.64 C ATOM 1164 CZ PHE A 185 55.852 -8.677 10.208 1.00 26.93 C ATOM 1165 H PHE A 185 58.875 -12.457 7.845 1.00 0.00 H ATOM 1166 N GLY A 186 57.979 -12.650 4.245 1.00 35.05 N ATOM 1167 CA GLY A 186 58.777 -13.275 3.219 1.00 37.59 C ATOM 1168 C GLY A 186 59.683 -14.275 3.902 1.00 38.62 C ATOM 1169 O GLY A 186 59.200 -15.147 4.621 1.00 40.92 O ATOM 1170 H GLY A 186 56.944 -12.751 4.221 1.00 0.00 H ATOM 1171 N ASN A 187 60.991 -14.119 3.714 1.00 36.11 N ATOM 1172 CA ASN A 187 61.973 -15.003 4.319 1.00 36.07 C ATOM 1173 C ASN A 187 62.392 -14.545 5.716 1.00 32.13 C ATOM 1174 O ASN A 187 63.087 -15.273 6.417 1.00 32.96 O ATOM 1175 CB ASN A 187 63.217 -15.097 3.429 1.00 37.80 C ATOM 1176 H ASN A 187 61.322 -13.337 3.113 1.00 0.00 H ATOM 1177 N MET A 188 61.972 -13.345 6.107 1.00 27.01 N ATOM 1178 CA MET A 188 62.450 -12.695 7.335 1.00 24.75 C ATOM 1179 C MET A 188 61.626 -13.088 8.562 1.00 24.69 C ATOM 1180 O MET A 188 60.443 -12.788 8.643 1.00 26.18 O ATOM 1181 CB MET A 188 62.418 -11.164 7.164 1.00 23.36 C ATOM 1182 CG MET A 188 62.830 -10.337 8.390 1.00 24.23 C ATOM 1183 SD MET A 188 64.562 -10.448 8.813 1.00 30.96 S ATOM 1184 CE MET A 188 65.340 -9.575 7.449 1.00 24.75 C ATOM 1185 H MET A 188 61.275 -12.845 5.518 1.00 0.00 H ATOM 1186 N LYS A 189 62.284 -13.716 9.531 1.00 23.45 N ATOM 1187 CA LYS A 189 61.638 -14.149 10.772 1.00 22.67 C ATOM 1188 C LYS A 189 61.816 -13.089 11.834 1.00 20.18 C ATOM 1189 O LYS A 189 62.912 -12.555 12.007 1.00 21.92 O ATOM 1190 CB LYS A 189 62.217 -15.490 11.261 1.00 25.81 C ATOM 1191 CG LYS A 189 61.915 -16.667 10.344 1.00 30.51 C ATOM 1192 CD LYS A 189 62.617 -17.923 10.846 1.00 35.29 C ATOM 1193 CE LYS A 189 62.123 -19.168 10.132 1.00 39.95 C ATOM 1194 NZ LYS A 189 62.678 -20.380 10.810 1.00 42.39 N ATOM 1195 HZ1 LYS A 189 63.717 -20.349 10.778 1.00 0.00 H ATOM 1196 HZ2 LYS A 189 62.361 -20.397 11.800 1.00 0.00 H ATOM 1197 HZ3 LYS A 189 62.340 -21.234 10.322 1.00 0.00 H ATOM 1198 H LYS A 189 63.298 -13.908 9.403 1.00 0.00 H ATOM 1199 N VAL A 190 60.742 -12.798 12.555 1.00 20.05 N ATOM 1200 CA VAL A 190 60.753 -11.751 13.573 1.00 20.49 C ATOM 1201 C VAL A 190 60.017 -12.278 14.798 1.00 21.83 C ATOM 1202 O VAL A 190 58.885 -12.758 14.690 1.00 23.43 O ATOM 1203 CB VAL A 190 60.099 -10.435 13.059 1.00 18.38 C ATOM 1204 CG1 VAL A 190 60.151 -9.328 14.120 1.00 16.44 C ATOM 1205 CG2 VAL A 190 60.777 -9.966 11.760 1.00 20.70 C ATOM 1206 H VAL A 190 59.865 -13.332 12.390 1.00 0.00 H ATOM 1207 N GLU A 191 60.672 -12.212 15.959 1.00 18.75 N ATOM 1208 CA GLU A 191 60.019 -12.546 17.212 1.00 18.32 C ATOM 1209 C GLU A 191 59.911 -11.288 18.040 1.00 18.16 C ATOM 1210 O GLU A 191 60.865 -10.510 18.120 1.00 18.24 O ATOM 1211 CB GLU A 191 60.789 -13.609 17.989 1.00 19.95 C ATOM 1212 CG GLU A 191 60.093 -14.023 19.294 1.00 19.23 C ATOM 1213 CD GLU A 191 60.811 -15.156 19.996 1.00 22.98 C ATOM 1214 OE1 GLU A 191 61.786 -14.879 20.714 1.00 23.45 O ATOM 1215 OE2 GLU A 191 60.416 -16.321 19.807 1.00 26.33 O ATOM 1216 H GLU A 191 61.669 -11.916 15.966 1.00 0.00 H ATOM 1217 N THR A 192 58.732 -11.079 18.623 1.00 16.88 N ATOM 1218 CA THR A 192 58.533 -10.026 19.609 1.00 14.91 C ATOM 1219 C THR A 192 58.362 -10.651 20.986 1.00 14.64 C ATOM 1220 O THR A 192 57.772 -11.732 21.135 1.00 17.21 O ATOM 1221 CB THR A 192 57.309 -9.113 19.278 1.00 14.49 C ATOM 1222 OG1 THR A 192 56.083 -9.830 19.429 1.00 14.49 O ATOM 1223 CG2 THR A 192 57.418 -8.601 17.879 1.00 16.84 C ATOM 1224 HG1 THR A 192 56.001 -10.148 20.363 1.00 0.00 H ATOM 1225 H THR A 192 57.928 -11.687 18.366 1.00 0.00 H ATOM 1226 N PHE A 193 58.911 -9.972 21.989 1.00 14.65 N ATOM 1227 CA PHE A 193 58.960 -10.506 23.342 1.00 14.22 C ATOM 1228 C PHE A 193 58.700 -9.400 24.340 1.00 13.88 C ATOM 1229 O PHE A 193 59.348 -8.364 24.309 1.00 14.38 O ATOM 1230 CB PHE A 193 60.306 -11.158 23.596 1.00 15.92 C ATOM 1231 CG PHE A 193 60.489 -11.685 25.005 1.00 15.67 C ATOM 1232 CD1 PHE A 193 59.516 -12.465 25.615 1.00 17.56 C ATOM 1233 CD2 PHE A 193 61.643 -11.413 25.697 1.00 17.23 C ATOM 1234 CE1 PHE A 193 59.687 -12.968 26.895 1.00 20.61 C ATOM 1235 CE2 PHE A 193 61.836 -11.913 26.993 1.00 18.03 C ATOM 1236 CZ PHE A 193 60.843 -12.697 27.593 1.00 19.16 C ATOM 1237 H PHE A 193 59.317 -9.033 21.801 1.00 0.00 H ATOM 1238 N TYR A 194 57.712 -9.618 25.199 1.00 15.43 N ATOM 1239 CA TYR A 194 57.460 -8.706 26.315 1.00 15.41 C ATOM 1240 C TYR A 194 58.176 -9.235 27.553 1.00 13.85 C ATOM 1241 O TYR A 194 57.767 -10.255 28.102 1.00 13.67 O ATOM 1242 CB TYR A 194 55.971 -8.575 26.617 1.00 17.17 C ATOM 1243 CG TYR A 194 55.707 -7.732 27.843 1.00 15.83 C ATOM 1244 CD1 TYR A 194 56.035 -6.378 27.870 1.00 15.32 C ATOM 1245 CD2 TYR A 194 55.165 -8.298 28.985 1.00 17.56 C ATOM 1246 CE1 TYR A 194 55.781 -5.595 29.032 1.00 15.79 C ATOM 1247 CE2 TYR A 194 54.929 -7.544 30.128 1.00 17.45 C ATOM 1248 CZ TYR A 194 55.246 -6.206 30.151 1.00 16.55 C ATOM 1249 OH TYR A 194 54.982 -5.489 31.313 1.00 17.98 O ATOM 1250 HH TYR A 194 55.259 -4.547 31.188 1.00 0.00 H ATOM 1251 H TYR A 194 57.105 -10.454 25.076 1.00 0.00 H ATOM 1252 N PRO A 195 59.257 -8.561 27.995 1.00 14.85 N ATOM 1253 CA PRO A 195 60.057 -9.138 29.097 1.00 16.32 C ATOM 1254 C PRO A 195 59.610 -8.729 30.488 1.00 17.54 C ATOM 1255 O PRO A 195 60.151 -9.230 31.486 1.00 17.73 O ATOM 1256 CB PRO A 195 61.446 -8.570 28.849 1.00 15.19 C ATOM 1257 CG PRO A 195 61.169 -7.209 28.305 1.00 15.27 C ATOM 1258 CD PRO A 195 59.894 -7.355 27.444 1.00 14.55 C ATOM 1259 N GLY A 196 58.671 -7.795 30.543 1.00 16.04 N ATOM 1260 CA GLY A 196 58.277 -7.165 31.784 1.00 16.95 C ATOM 1261 C GLY A 196 58.463 -5.657 31.738 1.00 15.28 C ATOM 1262 O GLY A 196 58.914 -5.089 30.734 1.00 14.64 O ATOM 1263 H GLY A 196 58.201 -7.505 29.662 1.00 0.00 H ATOM 1264 N LYS A 197 58.097 -5.002 32.837 1.00 14.73 N ATOM 1265 CA LYS A 197 58.180 -3.556 32.922 1.00 15.10 C ATOM 1266 C LYS A 197 59.619 -3.086 33.073 1.00 16.56 C ATOM 1267 O LYS A 197 60.439 -3.745 33.725 1.00 16.82 O ATOM 1268 CB LYS A 197 57.358 -3.046 34.107 1.00 16.07 C ATOM 1269 CG LYS A 197 55.923 -3.576 34.106 1.00 19.93 C ATOM 1270 CD LYS A 197 55.081 -3.072 35.264 1.00 24.37 C ATOM 1271 CE LYS A 197 53.933 -4.083 35.506 1.00 29.75 C ATOM 1272 NZ LYS A 197 52.986 -3.730 36.586 1.00 33.99 N ATOM 1273 HZ1 LYS A 197 53.502 -3.652 37.486 1.00 0.00 H ATOM 1274 HZ2 LYS A 197 52.533 -2.820 36.365 1.00 0.00 H ATOM 1275 HZ3 LYS A 197 52.260 -4.470 36.664 1.00 0.00 H ATOM 1276 H LYS A 197 57.743 -5.539 33.654 1.00 0.00 H ATOM 1277 N GLY A 198 59.909 -1.918 32.523 1.00 15.01 N ATOM 1278 CA GLY A 198 61.229 -1.336 32.702 1.00 15.16 C ATOM 1279 C GLY A 198 61.225 0.134 32.403 1.00 13.76 C ATOM 1280 O GLY A 198 60.813 0.939 33.231 1.00 13.46 O ATOM 1281 H GLY A 198 59.192 -1.416 31.962 1.00 0.00 H ATOM 1282 N HIS A 199 61.694 0.477 31.206 1.00 12.84 N ATOM 1283 CA HIS A 199 61.654 1.836 30.717 1.00 14.40 C ATOM 1284 C HIS A 199 60.219 2.363 30.729 1.00 14.22 C ATOM 1285 O HIS A 199 59.976 3.513 31.098 1.00 14.17 O ATOM 1286 CB HIS A 199 62.218 1.918 29.309 1.00 15.30 C ATOM 1287 CG HIS A 199 61.854 3.189 28.614 1.00 15.38 C ATOM 1288 ND1 HIS A 199 62.437 4.388 28.939 1.00 16.02 N ATOM 1289 CD2 HIS A 199 60.946 3.458 27.646 1.00 13.82 C ATOM 1290 CE1 HIS A 199 61.923 5.344 28.187 1.00 17.20 C ATOM 1291 NE2 HIS A 199 61.010 4.809 27.403 1.00 14.04 N ATOM 1292 H HIS A 199 62.105 -0.261 30.599 1.00 0.00 H ATOM 1293 N THR A 200 59.286 1.490 30.330 1.00 15.08 N ATOM 1294 CA THR A 200 57.846 1.716 30.499 1.00 14.02 C ATOM 1295 C THR A 200 57.176 0.405 30.896 1.00 14.37 C ATOM 1296 O THR A 200 57.812 -0.649 30.877 1.00 15.29 O ATOM 1297 CB THR A 200 57.153 2.220 29.212 1.00 14.11 C ATOM 1298 OG1 THR A 200 57.395 1.281 28.165 1.00 12.84 O ATOM 1299 CG2 THR A 200 57.606 3.618 28.814 1.00 14.75 C ATOM 1300 HG1 THR A 200 56.955 1.594 27.335 1.00 0.00 H ATOM 1301 H THR A 200 59.597 0.607 29.877 1.00 0.00 H ATOM 1302 N GLU A 201 55.892 0.452 31.243 1.00 15.04 N ATOM 1303 CA GLU A 201 55.226 -0.767 31.659 1.00 15.72 C ATOM 1304 C GLU A 201 55.009 -1.704 30.467 1.00 14.51 C ATOM 1305 O GLU A 201 54.884 -2.915 30.654 1.00 15.52 O ATOM 1306 CB GLU A 201 53.894 -0.467 32.358 1.00 16.67 C ATOM 1307 CG GLU A 201 52.741 -0.118 31.480 1.00 17.87 C ATOM 1308 CD GLU A 201 51.434 -0.021 32.265 1.00 21.31 C ATOM 1309 OE1 GLU A 201 51.140 -0.914 33.089 1.00 24.45 O ATOM 1310 OE2 GLU A 201 50.715 0.969 32.072 1.00 21.72 O ATOM 1311 H GLU A 201 55.372 1.352 31.216 1.00 0.00 H ATOM 1312 N ASP A 202 55.024 -1.156 29.260 1.00 12.96 N ATOM 1313 CA ASP A 202 54.636 -1.928 28.084 1.00 15.14 C ATOM 1314 C ASP A 202 55.776 -2.296 27.130 1.00 15.29 C ATOM 1315 O ASP A 202 55.556 -3.055 26.179 1.00 15.84 O ATOM 1316 CB ASP A 202 53.573 -1.159 27.295 1.00 13.65 C ATOM 1317 CG ASP A 202 54.060 0.174 26.768 1.00 15.05 C ATOM 1318 OD1 ASP A 202 54.731 0.913 27.516 1.00 13.47 O ATOM 1319 OD2 ASP A 202 53.717 0.513 25.610 1.00 15.96 O ATOM 1320 H ASP A 202 55.316 -0.164 29.150 1.00 0.00 H ATOM 1321 N ASN A 203 56.984 -1.822 27.405 1.00 14.88 N ATOM 1322 CA ASN A 203 58.084 -2.005 26.454 1.00 12.05 C ATOM 1323 C ASN A 203 58.348 -3.455 26.032 1.00 11.46 C ATOM 1324 O ASN A 203 58.387 -4.393 26.848 1.00 12.20 O ATOM 1325 CB ASN A 203 59.393 -1.364 26.961 1.00 12.93 C ATOM 1326 CG ASN A 203 59.809 -1.752 28.393 1.00 12.22 C ATOM 1327 OD1 ASN A 203 60.538 -0.974 29.035 1.00 15.38 O ATOM 1328 ND2 ASN A 203 59.442 -2.922 28.862 1.00 13.73 N ATOM 1329 HD22 ASN A 203 58.832 -3.542 28.293 1.00 0.00 H ATOM 1330 HD21 ASN A 203 59.762 -3.229 29.803 1.00 0.00 H ATOM 1331 H ASN A 203 57.151 -1.318 28.299 1.00 0.00 H ATOM 1332 N ILE A 204 58.510 -3.626 24.725 1.00 12.82 N ATOM 1333 CA ILE A 204 58.848 -4.931 24.165 1.00 12.51 C ATOM 1334 C ILE A 204 60.205 -4.865 23.477 1.00 10.88 C ATOM 1335 O ILE A 204 60.692 -3.788 23.130 1.00 12.78 O ATOM 1336 CB ILE A 204 57.759 -5.467 23.149 1.00 11.72 C ATOM 1337 CG1 ILE A 204 57.591 -4.522 21.950 1.00 13.14 C ATOM 1338 CG2 ILE A 204 56.457 -5.745 23.886 1.00 12.07 C ATOM 1339 CD1 ILE A 204 56.755 -5.166 20.786 1.00 16.64 C ATOM 1340 H ILE A 204 58.394 -2.813 24.087 1.00 0.00 H ATOM 1341 N VAL A 205 60.821 -6.035 23.289 1.00 12.09 N ATOM 1342 CA VAL A 205 62.024 -6.132 22.468 1.00 12.99 C ATOM 1343 C VAL A 205 61.694 -6.961 21.236 1.00 13.75 C ATOM 1344 O VAL A 205 60.688 -7.652 21.213 1.00 13.01 O ATOM 1345 CB VAL A 205 63.210 -6.749 23.247 1.00 14.26 C ATOM 1346 CG1 VAL A 205 63.514 -5.877 24.476 1.00 14.06 C ATOM 1347 CG2 VAL A 205 62.919 -8.193 23.644 1.00 15.59 C ATOM 1348 H VAL A 205 60.437 -6.892 23.735 1.00 0.00 H ATOM 1349 N VAL A 206 62.533 -6.830 20.215 1.00 14.57 N ATOM 1350 CA VAL A 206 62.366 -7.535 18.945 1.00 16.68 C ATOM 1351 C VAL A 206 63.653 -8.301 18.614 1.00 15.64 C ATOM 1352 O VAL A 206 64.759 -7.755 18.687 1.00 16.07 O ATOM 1353 CB VAL A 206 61.989 -6.538 17.817 1.00 14.40 C ATOM 1354 CG1 VAL A 206 61.795 -7.252 16.457 1.00 17.56 C ATOM 1355 CG2 VAL A 206 60.724 -5.788 18.190 1.00 15.55 C ATOM 1356 H VAL A 206 63.349 -6.195 20.324 1.00 0.00 H ATOM 1357 N TRP A 207 63.478 -9.568 18.254 1.00 14.88 N ATOM 1358 CA TRP A 207 64.557 -10.507 17.962 1.00 16.22 C ATOM 1359 C TRP A 207 64.456 -11.012 16.528 1.00 18.98 C ATOM 1360 O TRP A 207 63.375 -11.408 16.071 1.00 19.80 O ATOM 1361 CB TRP A 207 64.486 -11.683 18.948 1.00 16.06 C ATOM 1362 CG TRP A 207 65.455 -12.799 18.799 1.00 17.40 C ATOM 1363 CD1 TRP A 207 65.183 -14.075 18.427 1.00 17.52 C ATOM 1364 CD2 TRP A 207 66.850 -12.763 19.108 1.00 18.93 C ATOM 1365 NE1 TRP A 207 66.312 -14.838 18.479 1.00 19.17 N ATOM 1366 CE2 TRP A 207 67.357 -14.056 18.888 1.00 18.99 C ATOM 1367 CE3 TRP A 207 67.712 -11.768 19.560 1.00 19.29 C ATOM 1368 CZ2 TRP A 207 68.701 -14.374 19.073 1.00 21.71 C ATOM 1369 CZ3 TRP A 207 69.055 -12.090 19.759 1.00 20.41 C ATOM 1370 CH2 TRP A 207 69.526 -13.372 19.520 1.00 22.20 C ATOM 1371 HE1 TRP A 207 66.369 -15.850 18.246 1.00 0.00 H ATOM 1372 H TRP A 207 62.501 -9.916 18.174 1.00 0.00 H ATOM 1373 N LEU A 208 65.596 -11.003 15.841 1.00 19.21 N ATOM 1374 CA LEU A 208 65.725 -11.590 14.522 1.00 19.09 C ATOM 1375 C LEU A 208 66.555 -12.863 14.667 1.00 20.96 C ATOM 1376 O LEU A 208 67.784 -12.803 14.730 1.00 21.56 O ATOM 1377 CB LEU A 208 66.382 -10.624 13.569 1.00 20.01 C ATOM 1378 CG LEU A 208 65.755 -9.225 13.522 1.00 20.38 C ATOM 1379 CD1 LEU A 208 66.512 -8.399 12.493 1.00 23.08 C ATOM 1380 CD2 LEU A 208 64.246 -9.238 13.234 1.00 17.71 C ATOM 1381 H LEU A 208 66.431 -10.555 16.270 1.00 0.00 H ATOM 1382 N PRO A 212 65.882 -14.014 14.793 1.00 22.61 N ATOM 1383 CA PRO A 212 66.631 -15.239 15.086 1.00 23.18 C ATOM 1384 C PRO A 212 67.582 -15.661 13.973 1.00 25.33 C ATOM 1385 O PRO A 212 68.486 -16.447 14.225 1.00 25.86 O ATOM 1386 CB PRO A 212 65.529 -16.288 15.278 1.00 24.10 C ATOM 1387 CG PRO A 212 64.358 -15.771 14.512 1.00 23.99 C ATOM 1388 CD PRO A 212 64.430 -14.268 14.716 1.00 21.66 C ATOM 1389 N GLN A 213 67.385 -15.171 12.758 1.00 25.06 N ATOM 1390 CA GLN A 213 68.270 -15.581 11.681 1.00 26.98 C ATOM 1391 C GLN A 213 69.600 -14.853 11.764 1.00 26.51 C ATOM 1392 O GLN A 213 70.562 -15.297 11.173 1.00 30.13 O ATOM 1393 CB GLN A 213 67.620 -15.343 10.316 1.00 27.29 C ATOM 1394 CG GLN A 213 66.392 -16.206 10.072 1.00 27.87 C ATOM 1395 CD GLN A 213 65.423 -15.606 9.070 1.00 28.01 C ATOM 1396 OE1 GLN A 213 65.166 -14.400 9.076 1.00 26.40 O ATOM 1397 NE2 GLN A 213 64.875 -16.455 8.199 1.00 28.45 N ATOM 1398 HE22 GLN A 213 65.122 -17.465 8.232 1.00 0.00 H ATOM 1399 HE21 GLN A 213 64.201 -16.107 7.487 1.00 0.00 H ATOM 1400 H GLN A 213 66.609 -14.503 12.578 1.00 0.00 H ATOM 1401 N TYR A 214 69.647 -13.749 12.502 1.00 24.56 N ATOM 1402 CA TYR A 214 70.858 -12.926 12.631 1.00 30.98 C ATOM 1403 C TYR A 214 71.370 -12.791 14.071 1.00 29.28 C ATOM 1404 O TYR A 214 72.429 -12.236 14.303 1.00 24.68 O ATOM 1405 CB TYR A 214 70.574 -11.528 12.078 1.00 30.86 C ATOM 1406 CG TYR A 214 70.012 -11.557 10.672 1.00 32.79 C ATOM 1407 CD1 TYR A 214 70.854 -11.619 9.582 1.00 36.20 C ATOM 1408 CD2 TYR A 214 68.647 -11.542 10.446 1.00 31.13 C ATOM 1409 CE1 TYR A 214 70.363 -11.652 8.304 1.00 37.68 C ATOM 1410 CE2 TYR A 214 68.141 -11.578 9.159 1.00 32.18 C ATOM 1411 CZ TYR A 214 69.005 -11.629 8.095 1.00 35.13 C ATOM 1412 OH TYR A 214 68.536 -11.671 6.810 1.00 36.61 O ATOM 1413 HH TYR A 214 67.974 -12.477 6.691 1.00 0.00 H ATOM 1414 H TYR A 214 68.789 -13.454 13.011 1.00 0.00 H ATOM 1415 N ASN A 218 70.578 -13.263 15.026 1.00 27.84 N ATOM 1416 CA ASN A 218 70.824 -13.047 16.453 1.00 26.34 C ATOM 1417 C ASN A 218 71.015 -11.556 16.738 1.00 23.52 C ATOM 1418 O ASN A 218 71.915 -11.133 17.466 1.00 23.31 O ATOM 1419 CB ASN A 218 72.005 -13.904 16.927 1.00 30.06 C ATOM 1420 CG ASN A 218 71.621 -15.376 17.064 1.00 31.02 C ATOM 1421 OD1 ASN A 218 70.577 -15.802 16.562 1.00 31.40 O ATOM 1422 ND2 ASN A 218 72.434 -16.143 17.759 1.00 33.89 N ATOM 1423 HD22 ASN A 218 73.304 -15.744 18.165 1.00 0.00 H ATOM 1424 HD21 ASN A 218 72.206 -17.148 17.902 1.00 0.00 H ATOM 1425 H ASN A 218 69.741 -13.814 14.747 1.00 0.00 H ATOM 1426 N ILE A 219 70.106 -10.774 16.169 1.00 21.07 N ATOM 1427 CA ILE A 219 70.051 -9.339 16.403 1.00 21.04 C ATOM 1428 C ILE A 219 68.863 -9.003 17.293 1.00 19.77 C ATOM 1429 O ILE A 219 67.734 -9.427 17.052 1.00 19.40 O ATOM 1430 CB ILE A 219 69.949 -8.547 15.090 1.00 21.71 C ATOM 1431 CG1 ILE A 219 71.253 -8.680 14.305 1.00 24.06 C ATOM 1432 CG2 ILE A 219 69.652 -7.089 15.384 1.00 20.32 C ATOM 1433 CD1 ILE A 219 71.173 -8.139 12.881 1.00 25.63 C ATOM 1434 H ILE A 219 69.406 -11.204 15.531 1.00 0.00 H ATOM 1435 N LEU A 220 69.150 -8.252 18.346 1.00 19.50 N ATOM 1436 CA LEU A 220 68.132 -7.802 19.289 1.00 16.77 C ATOM 1437 C LEU A 220 67.926 -6.296 19.194 1.00 17.03 C ATOM 1438 O LEU A 220 68.890 -5.529 19.272 1.00 18.66 O ATOM 1439 CB LEU A 220 68.537 -8.163 20.714 1.00 18.19 C ATOM 1440 CG LEU A 220 67.561 -7.748 21.811 1.00 18.12 C ATOM 1441 CD1 LEU A 220 66.344 -8.665 21.827 1.00 18.21 C ATOM 1442 CD2 LEU A 220 68.303 -7.762 23.166 1.00 20.83 C ATOM 1443 H LEU A 220 70.139 -7.973 18.506 1.00 0.00 H ATOM 1444 N VAL A 221 66.672 -5.895 19.014 1.00 15.75 N ATOM 1445 CA VAL A 221 66.257 -4.512 19.108 1.00 15.93 C ATOM 1446 C VAL A 221 65.789 -4.311 20.536 1.00 15.11 C ATOM 1447 O VAL A 221 64.730 -4.822 20.921 1.00 15.90 O ATOM 1448 CB VAL A 221 65.123 -4.171 18.140 1.00 15.88 C ATOM 1449 CG1 VAL A 221 64.921 -2.649 18.080 1.00 18.46 C ATOM 1450 CG2 VAL A 221 65.432 -4.691 16.763 1.00 16.79 C ATOM 1451 H VAL A 221 65.952 -6.612 18.794 1.00 0.00 H ATOM 1452 N GLY A 222 66.577 -3.578 21.311 1.00 17.04 N ATOM 1453 CA GLY A 222 66.306 -3.431 22.725 1.00 16.10 C ATOM 1454 C GLY A 222 65.298 -2.348 23.004 1.00 15.07 C ATOM 1455 O GLY A 222 64.631 -2.359 24.049 1.00 14.68 O ATOM 1456 H GLY A 222 67.403 -3.101 20.896 1.00 0.00 H ATOM 1457 N GLY A 223 65.176 -1.395 22.080 1.00 16.15 N ATOM 1458 CA GLY A 223 64.354 -0.221 22.317 1.00 15.48 C ATOM 1459 C GLY A 223 64.806 0.537 23.562 1.00 15.98 C ATOM 1460 O GLY A 223 65.985 0.457 23.969 1.00 14.78 O ATOM 1461 H GLY A 223 65.678 -1.494 21.174 1.00 0.00 H ATOM 1462 N CYS A 224 63.891 1.272 24.195 1.00 15.42 N ATOM 1463 CA CYS A 224 64.326 2.181 25.238 1.00 15.69 C ATOM 1464 C CYS A 224 64.578 1.445 26.566 1.00 14.86 C ATOM 1465 O CYS A 224 65.128 2.020 27.496 1.00 14.45 O ATOM 1466 CB CYS A 224 63.320 3.303 25.361 1.00 17.60 C ATOM 1467 SG CYS A 224 63.177 4.194 23.757 1.00 21.98 S ATOM 1468 H CYS A 224 62.884 1.195 23.945 1.00 0.00 H ATOM 1469 N LEU A 225 64.201 0.168 26.615 1.00 14.79 N ATOM 1470 CA LEU A 225 64.601 -0.741 27.690 1.00 15.63 C ATOM 1471 C LEU A 225 66.123 -0.872 27.810 1.00 16.39 C ATOM 1472 O LEU A 225 66.642 -1.172 28.881 1.00 18.28 O ATOM 1473 CB LEU A 225 64.002 -2.141 27.454 1.00 15.45 C ATOM 1474 CG LEU A 225 64.184 -3.215 28.526 1.00 16.82 C ATOM 1475 CD1 LEU A 225 63.266 -2.934 29.726 1.00 18.08 C ATOM 1476 CD2 LEU A 225 63.954 -4.612 27.981 1.00 18.65 C ATOM 1477 H LEU A 225 63.595 -0.200 25.854 1.00 0.00 H ATOM 1478 N VAL A 226 66.826 -0.688 26.701 1.00 16.13 N ATOM 1479 CA VAL A 226 68.277 -0.926 26.666 1.00 16.42 C ATOM 1480 C VAL A 226 69.008 0.370 26.399 1.00 16.70 C ATOM 1481 O VAL A 226 68.775 1.014 25.387 1.00 17.73 O ATOM 1482 CB VAL A 226 68.667 -1.970 25.591 1.00 15.95 C ATOM 1483 CG1 VAL A 226 70.178 -2.124 25.541 1.00 18.33 C ATOM 1484 CG2 VAL A 226 67.993 -3.302 25.879 1.00 16.16 C ATOM 1485 H VAL A 226 66.341 -0.369 25.838 1.00 0.00 H ATOM 1486 N LYS A 227 69.870 0.762 27.344 1.00 16.69 N ATOM 1487 CA LYS A 227 70.677 1.974 27.223 1.00 18.38 C ATOM 1488 C LYS A 227 71.958 1.749 26.416 1.00 20.30 C ATOM 1489 O LYS A 227 72.574 0.692 26.498 1.00 20.86 O ATOM 1490 CB LYS A 227 71.024 2.498 28.633 1.00 18.98 C ATOM 1491 CG LYS A 227 69.827 2.602 29.550 1.00 19.47 C ATOM 1492 CD LYS A 227 68.706 3.464 28.980 1.00 21.90 C ATOM 1493 CE LYS A 227 69.125 4.913 28.797 1.00 24.69 C ATOM 1494 NZ LYS A 227 67.944 5.722 28.355 1.00 24.59 N ATOM 1495 HZ1 LYS A 227 67.587 5.347 27.453 1.00 0.00 H ATOM 1496 HZ2 LYS A 227 67.197 5.665 29.076 1.00 0.00 H ATOM 1497 HZ3 LYS A 227 68.232 6.714 28.230 1.00 0.00 H ATOM 1498 H LYS A 227 69.970 0.180 28.200 1.00 0.00 H ATOM 1499 N SER A 228 72.363 2.747 25.632 1.00 20.66 N ATOM 1500 CA SER A 228 73.621 2.687 24.913 1.00 21.32 C ATOM 1501 C SER A 228 74.819 3.027 25.821 1.00 21.53 C ATOM 1502 O SER A 228 74.657 3.556 26.914 1.00 21.70 O ATOM 1503 CB SER A 228 73.587 3.646 23.728 1.00 23.74 C ATOM 1504 OG SER A 228 73.780 4.974 24.179 1.00 27.76 O ATOM 1505 HG SER A 228 74.658 5.043 24.631 1.00 0.00 H ATOM 1506 H SER A 228 71.762 3.590 25.533 1.00 0.00 H ATOM 1507 N THR A 229 76.020 2.736 25.351 1.00 23.17 N ATOM 1508 CA THR A 229 77.227 2.976 26.157 1.00 26.03 C ATOM 1509 C THR A 229 77.354 4.444 26.520 1.00 29.19 C ATOM 1510 O THR A 229 77.790 4.801 27.625 1.00 28.96 O ATOM 1511 CB THR A 229 78.461 2.502 25.410 1.00 28.47 C ATOM 1512 OG1 THR A 229 78.310 1.104 25.146 1.00 28.90 O ATOM 1513 CG2 THR A 229 79.743 2.738 26.226 1.00 31.34 C ATOM 1514 HG1 THR A 229 78.220 0.615 26.002 1.00 0.00 H ATOM 1515 H THR A 229 76.113 2.331 24.397 1.00 0.00 H ATOM 1516 N SER A 230 76.942 5.305 25.601 1.00 30.83 N ATOM 1517 CA SER A 230 77.048 6.739 25.817 1.00 34.48 C ATOM 1518 C SER A 230 76.083 7.226 26.899 1.00 31.81 C ATOM 1519 O SER A 230 76.293 8.290 27.479 1.00 34.95 O ATOM 1520 CB SER A 230 76.784 7.483 24.510 1.00 37.75 C ATOM 1521 OG SER A 230 75.413 7.383 24.184 1.00 38.09 O ATOM 1522 HG SER A 230 75.169 6.429 24.078 1.00 0.00 H ATOM 1523 H SER A 230 76.537 4.950 24.712 1.00 0.00 H ATOM 1524 N ALA A 231 75.044 6.446 27.184 1.00 27.44 N ATOM 1525 CA ALA A 231 74.073 6.825 28.207 1.00 27.54 C ATOM 1526 C ALA A 231 74.670 6.630 29.601 1.00 29.36 C ATOM 1527 O ALA A 231 75.034 5.516 29.973 1.00 30.21 O ATOM 1528 CB ALA A 231 72.780 6.016 28.066 1.00 25.14 C ATOM 1529 H ALA A 231 74.921 5.551 26.669 1.00 0.00 H ATOM 1530 N LYS A 232 74.752 7.714 30.363 1.00 30.28 N ATOM 1531 CA LYS A 232 75.366 7.687 31.691 1.00 31.44 C ATOM 1532 C LYS A 232 74.312 7.748 32.809 1.00 30.83 C ATOM 1533 O LYS A 232 74.635 7.877 33.985 1.00 31.96 O ATOM 1534 CB LYS A 232 76.352 8.838 31.817 1.00 34.41 C ATOM 1535 CG LYS A 232 77.490 8.814 30.786 1.00 37.75 C ATOM 1536 CD LYS A 232 78.065 7.412 30.581 1.00 40.13 C ATOM 1537 CE LYS A 232 79.284 7.399 29.657 1.00 45.31 C ATOM 1538 NZ LYS A 232 79.786 6.007 29.408 1.00 46.34 N ATOM 1539 HZ1 LYS A 232 80.058 5.571 30.312 1.00 0.00 H ATOM 1540 HZ2 LYS A 232 79.034 5.443 28.963 1.00 0.00 H ATOM 1541 HZ3 LYS A 232 80.612 6.045 28.777 1.00 0.00 H ATOM 1542 H LYS A 232 74.367 8.611 30.005 1.00 0.00 H ATOM 1543 N ASP A 233 73.047 7.672 32.431 1.00 30.36 N ATOM 1544 CA ASP A 233 71.958 7.601 33.397 1.00 30.14 C ATOM 1545 C ASP A 233 70.787 6.954 32.678 1.00 27.66 C ATOM 1546 O ASP A 233 70.913 6.604 31.502 1.00 25.77 O ATOM 1547 CB ASP A 233 71.620 8.994 33.940 1.00 34.20 C ATOM 1548 CG ASP A 233 71.291 9.985 32.836 1.00 34.92 C ATOM 1549 OD1 ASP A 233 70.312 9.758 32.117 1.00 31.07 O ATOM 1550 OD2 ASP A 233 72.015 10.977 32.677 1.00 39.14 O ATOM 1551 H ASP A 233 72.823 7.663 31.415 1.00 0.00 H ATOM 1552 N LEU A 234 69.663 6.763 33.366 1.00 26.79 N ATOM 1553 CA LEU A 234 68.577 5.999 32.783 1.00 24.90 C ATOM 1554 C LEU A 234 67.739 6.833 31.823 1.00 26.36 C ATOM 1555 O LEU A 234 66.829 6.306 31.189 1.00 25.21 O ATOM 1556 CB LEU A 234 67.687 5.423 33.878 1.00 23.16 C ATOM 1557 CG LEU A 234 68.361 4.339 34.722 1.00 24.35 C ATOM 1558 CD1 LEU A 234 67.541 4.045 35.963 1.00 24.92 C ATOM 1559 CD2 LEU A 234 68.561 3.091 33.865 1.00 23.53 C ATOM 1560 H LEU A 234 69.564 7.162 34.321 1.00 0.00 H ATOM 1561 N GLY A 235 68.043 8.125 31.731 1.00 29.44 N ATOM 1562 CA GLY A 235 67.342 9.004 30.818 1.00 29.56 C ATOM 1563 C GLY A 235 65.933 9.289 31.297 1.00 29.10 C ATOM 1564 O GLY A 235 65.694 9.574 32.466 1.00 28.19 O ATOM 1565 H GLY A 235 68.801 8.513 32.328 1.00 0.00 H ATOM 1566 N ASN A 236 64.977 9.206 30.387 1.00 29.89 N ATOM 1567 CA ASN A 236 63.619 9.584 30.730 1.00 32.83 C ATOM 1568 C ASN A 236 62.887 8.503 31.511 1.00 28.83 C ATOM 1569 O ASN A 236 62.475 7.516 30.913 1.00 28.26 O ATOM 1570 CB ASN A 236 62.847 9.898 29.454 1.00 36.14 C ATOM 1571 CG ASN A 236 61.459 10.360 29.738 1.00 39.92 C ATOM 1572 OD1 ASN A 236 61.186 10.932 30.799 1.00 41.40 O ATOM 1573 ND2 ASN A 236 60.552 10.082 28.825 1.00 40.78 N ATOM 1574 HD22 ASN A 236 60.829 9.599 27.947 1.00 0.00 H ATOM 1575 HD21 ASN A 236 59.558 10.346 28.982 1.00 0.00 H ATOM 1576 H ASN A 236 65.198 8.871 29.428 1.00 0.00 H ATOM 1577 N VAL A 237 62.708 8.700 32.820 1.00 27.65 N ATOM 1578 CA VAL A 237 62.169 7.655 33.703 1.00 27.22 C ATOM 1579 C VAL A 237 60.790 8.007 34.284 1.00 27.89 C ATOM 1580 O VAL A 237 60.312 7.361 35.224 1.00 25.41 O ATOM 1581 CB VAL A 237 63.141 7.352 34.882 1.00 37.63 C ATOM 1582 CG1 VAL A 237 64.400 6.711 34.370 1.00 36.92 C ATOM 1583 CG2 VAL A 237 63.470 8.617 35.659 1.00 40.19 C ATOM 1584 H VAL A 237 62.958 9.623 33.228 1.00 0.00 H ATOM 1585 N ALA A 238 60.154 9.024 33.707 1.00 29.22 N ATOM 1586 CA ALA A 238 58.841 9.472 34.146 1.00 29.95 C ATOM 1587 C ALA A 238 57.836 8.314 34.234 1.00 25.09 C ATOM 1588 O ALA A 238 57.044 8.245 35.158 1.00 25.08 O ATOM 1589 CB ALA A 238 58.319 10.557 33.190 1.00 31.94 C ATOM 1590 H ALA A 238 60.612 9.516 32.914 1.00 0.00 H ATOM 1591 N ASP A 239 57.894 7.403 33.275 1.00 22.63 N ATOM 1592 CA ASP A 239 56.930 6.302 33.195 1.00 20.62 C ATOM 1593 C ASP A 239 57.582 4.948 33.443 1.00 19.02 C ATOM 1594 O ASP A 239 57.077 3.921 32.997 1.00 17.60 O ATOM 1595 CB ASP A 239 56.252 6.317 31.818 1.00 20.19 C ATOM 1596 CG ASP A 239 55.470 7.592 31.575 1.00 21.27 C ATOM 1597 OD1 ASP A 239 54.826 8.105 32.522 1.00 21.53 O ATOM 1598 OD2 ASP A 239 55.505 8.089 30.439 1.00 22.89 O ATOM 1599 H ASP A 239 58.645 7.471 32.558 1.00 0.00 H ATOM 1600 N ALA A 240 58.711 4.943 34.144 1.00 19.49 N ATOM 1601 CA ALA A 240 59.491 3.719 34.314 1.00 17.09 C ATOM 1602 C ALA A 240 59.221 3.004 35.640 1.00 17.61 C ATOM 1603 O ALA A 240 58.634 3.565 36.581 1.00 17.35 O ATOM 1604 CB ALA A 240 60.977 4.030 34.188 1.00 17.38 C ATOM 1605 H ALA A 240 59.045 5.826 34.580 1.00 0.00 H ATOM 1606 N TYR A 241 59.674 1.753 35.671 1.00 16.97 N ATOM 1607 CA TYR A 241 59.571 0.849 36.806 1.00 18.57 C ATOM 1608 C TYR A 241 60.973 0.353 37.170 1.00 19.22 C ATOM 1609 O TYR A 241 61.374 -0.721 36.763 1.00 19.43 O ATOM 1610 CB TYR A 241 58.648 -0.316 36.445 1.00 16.31 C ATOM 1611 CG TYR A 241 57.245 0.162 36.177 1.00 16.96 C ATOM 1612 CD1 TYR A 241 56.914 0.795 34.987 1.00 13.55 C ATOM 1613 CD2 TYR A 241 56.256 0.032 37.153 1.00 18.21 C ATOM 1614 CE1 TYR A 241 55.643 1.274 34.771 1.00 13.97 C ATOM 1615 CE2 TYR A 241 54.980 0.483 36.941 1.00 17.45 C ATOM 1616 CZ TYR A 241 54.669 1.102 35.739 1.00 17.64 C ATOM 1617 OH TYR A 241 53.414 1.586 35.499 1.00 17.30 O ATOM 1618 HH TYR A 241 53.384 1.990 34.595 1.00 0.00 H ATOM 1619 H TYR A 241 60.140 1.392 34.814 1.00 0.00 H ATOM 1620 N VAL A 242 61.720 1.152 37.924 1.00 19.48 N ATOM 1621 CA VAL A 242 63.149 0.907 38.088 1.00 23.66 C ATOM 1622 C VAL A 242 63.460 -0.334 38.918 1.00 25.97 C ATOM 1623 O VAL A 242 64.568 -0.851 38.831 1.00 26.91 O ATOM 1624 CB VAL A 242 63.856 2.123 38.714 1.00 26.26 C ATOM 1625 CG1 VAL A 242 63.822 3.278 37.720 1.00 27.68 C ATOM 1626 CG2 VAL A 242 63.214 2.519 40.022 1.00 28.45 C ATOM 1627 H VAL A 242 61.280 1.963 38.404 1.00 0.00 H ATOM 1628 N ASN A 243 62.489 -0.819 39.696 1.00 25.88 N ATOM 1629 CA ASN A 243 62.664 -2.025 40.499 1.00 28.59 C ATOM 1630 C ASN A 243 62.414 -3.287 39.675 1.00 28.55 C ATOM 1631 O ASN A 243 62.937 -4.339 40.004 1.00 35.41 O ATOM 1632 CB ASN A 243 61.730 -1.992 41.723 1.00 31.28 C ATOM 1633 CG ASN A 243 62.185 -2.916 42.843 1.00 34.07 C ATOM 1634 OD1 ASN A 243 63.361 -2.931 43.216 1.00 35.68 O ATOM 1635 ND2 ASN A 243 61.253 -3.700 43.382 1.00 35.12 N ATOM 1636 HD22 ASN A 243 60.273 -3.655 43.037 1.00 0.00 H ATOM 1637 HD21 ASN A 243 61.505 -4.357 44.148 1.00 0.00 H ATOM 1638 H ASN A 243 61.577 -0.320 39.731 1.00 0.00 H ATOM 1639 N GLU A 244 61.611 -3.178 38.609 1.00 20.96 N ATOM 1640 CA GLU A 244 61.302 -4.336 37.755 1.00 21.02 C ATOM 1641 C GLU A 244 62.205 -4.371 36.521 1.00 17.96 C ATOM 1642 O GLU A 244 62.394 -5.410 35.909 1.00 17.76 O ATOM 1643 CB GLU A 244 59.827 -4.321 37.330 1.00 23.32 C ATOM 1644 CG GLU A 244 58.903 -4.264 38.535 1.00 27.45 C ATOM 1645 CD GLU A 244 57.450 -4.202 38.180 1.00 30.73 C ATOM 1646 OE1 GLU A 244 57.009 -4.950 37.282 1.00 32.33 O ATOM 1647 OE2 GLU A 244 56.741 -3.412 38.827 1.00 29.50 O ATOM 1648 H GLU A 244 61.196 -2.253 38.379 1.00 0.00 H ATOM 1649 N TRP A 245 62.814 -3.234 36.206 1.00 16.34 N ATOM 1650 CA TRP A 245 63.589 -3.084 34.984 1.00 16.40 C ATOM 1651 C TRP A 245 64.759 -4.091 34.973 1.00 16.49 C ATOM 1652 O TRP A 245 65.062 -4.691 33.936 1.00 17.30 O ATOM 1653 CB TRP A 245 64.046 -1.626 34.887 1.00 15.72 C ATOM 1654 CG TRP A 245 64.589 -1.128 33.582 1.00 14.61 C ATOM 1655 CD1 TRP A 245 65.127 -1.860 32.540 1.00 15.03 C ATOM 1656 CD2 TRP A 245 64.678 0.242 33.193 1.00 16.21 C ATOM 1657 NE1 TRP A 245 65.550 -1.017 31.551 1.00 16.05 N ATOM 1658 CE2 TRP A 245 65.273 0.278 31.917 1.00 15.73 C ATOM 1659 CE3 TRP A 245 64.304 1.447 33.800 1.00 15.62 C ATOM 1660 CZ2 TRP A 245 65.506 1.461 31.245 1.00 15.07 C ATOM 1661 CZ3 TRP A 245 64.534 2.628 33.119 1.00 15.60 C ATOM 1662 CH2 TRP A 245 65.134 2.623 31.861 1.00 16.71 C ATOM 1663 HE1 TRP A 245 66.008 -1.309 30.664 1.00 0.00 H ATOM 1664 H TRP A 245 62.734 -2.424 36.854 1.00 0.00 H ATOM 1665 N SER A 246 65.396 -4.318 36.123 1.00 17.88 N ATOM 1666 CA SER A 246 66.505 -5.288 36.165 1.00 19.28 C ATOM 1667 C SER A 246 66.021 -6.704 35.836 1.00 18.28 C ATOM 1668 O SER A 246 66.660 -7.429 35.073 1.00 18.28 O ATOM 1669 CB SER A 246 67.192 -5.291 37.535 1.00 22.32 C ATOM 1670 OG SER A 246 67.864 -4.071 37.728 1.00 24.75 O ATOM 1671 HG SER A 246 67.212 -3.327 37.688 1.00 0.00 H ATOM 1672 H SER A 246 65.111 -3.813 36.986 1.00 0.00 H ATOM 1673 N THR A 247 64.894 -7.092 36.412 1.00 18.62 N ATOM 1674 CA THR A 247 64.340 -8.422 36.169 1.00 20.26 C ATOM 1675 C THR A 247 63.978 -8.583 34.684 1.00 18.80 C ATOM 1676 O THR A 247 64.229 -9.629 34.081 1.00 19.09 O ATOM 1677 CB THR A 247 63.117 -8.673 37.066 1.00 21.92 C ATOM 1678 OG1 THR A 247 63.538 -8.640 38.426 1.00 24.77 O ATOM 1679 CG2 THR A 247 62.486 -10.008 36.787 1.00 22.40 C ATOM 1680 HG1 THR A 247 63.929 -7.753 38.628 1.00 0.00 H ATOM 1681 H THR A 247 64.394 -6.439 37.049 1.00 0.00 H ATOM 1682 N SER A 248 63.428 -7.534 34.093 1.00 16.71 N ATOM 1683 CA SER A 248 63.040 -7.575 32.695 1.00 15.89 C ATOM 1684 C SER A 248 64.266 -7.739 31.812 1.00 16.02 C ATOM 1685 O SER A 248 64.255 -8.531 30.855 1.00 16.06 O ATOM 1686 CB SER A 248 62.237 -6.316 32.368 1.00 16.02 C ATOM 1687 OG SER A 248 61.072 -6.302 33.204 1.00 16.70 O ATOM 1688 HG SER A 248 60.536 -5.493 33.008 1.00 0.00 H ATOM 1689 H SER A 248 63.271 -6.664 34.641 1.00 0.00 H ATOM 1690 N ILE A 249 65.351 -7.050 32.162 1.00 15.70 N ATOM 1691 CA ILE A 249 66.620 -7.207 31.427 1.00 16.39 C ATOM 1692 C ILE A 249 67.115 -8.637 31.588 1.00 18.20 C ATOM 1693 O ILE A 249 67.530 -9.274 30.610 1.00 20.00 O ATOM 1694 CB ILE A 249 67.692 -6.196 31.896 1.00 15.04 C ATOM 1695 CG1 ILE A 249 67.343 -4.765 31.416 1.00 16.36 C ATOM 1696 CG2 ILE A 249 69.097 -6.590 31.398 1.00 15.97 C ATOM 1697 CD1 ILE A 249 67.586 -4.514 29.902 1.00 23.46 C ATOM 1698 H ILE A 249 65.303 -6.392 32.966 1.00 0.00 H ATOM 1699 N GLU A 250 67.057 -9.160 32.805 1.00 17.22 N ATOM 1700 CA GLU A 250 67.493 -10.524 33.039 1.00 20.46 C ATOM 1701 C GLU A 250 66.648 -11.497 32.222 1.00 20.05 C ATOM 1702 O GLU A 250 67.167 -12.496 31.726 1.00 19.91 O ATOM 1703 CB GLU A 250 67.424 -10.860 34.517 1.00 22.77 C ATOM 1704 CG GLU A 250 68.447 -10.079 35.367 1.00 25.06 C ATOM 1705 CD GLU A 250 69.866 -10.630 35.260 1.00 32.37 C ATOM 1706 OE1 GLU A 250 70.089 -11.568 34.456 1.00 34.34 O ATOM 1707 OE2 GLU A 250 70.753 -10.132 36.003 1.00 35.54 O ATOM 1708 H GLU A 250 66.697 -8.589 33.596 1.00 0.00 H ATOM 1709 N ASN A 251 65.357 -11.211 32.073 1.00 19.33 N ATOM 1710 CA ASN A 251 64.494 -12.069 31.257 1.00 20.62 C ATOM 1711 C ASN A 251 64.943 -12.076 29.805 1.00 18.28 C ATOM 1712 O ASN A 251 64.891 -13.111 29.165 1.00 19.90 O ATOM 1713 CB ASN A 251 63.030 -11.642 31.362 1.00 18.70 C ATOM 1714 CG ASN A 251 62.410 -12.007 32.709 1.00 21.95 C ATOM 1715 OD1 ASN A 251 62.908 -12.891 33.424 1.00 25.21 O ATOM 1716 ND2 ASN A 251 61.316 -11.316 33.067 1.00 20.85 N ATOM 1717 HD22 ASN A 251 60.934 -10.584 32.435 1.00 0.00 H ATOM 1718 HD21 ASN A 251 60.851 -11.513 33.976 1.00 0.00 H ATOM 1719 H ASN A 251 64.957 -10.372 32.539 1.00 0.00 H ATOM 1720 N VAL A 252 65.388 -10.933 29.292 1.00 17.66 N ATOM 1721 CA VAL A 252 65.943 -10.856 27.925 1.00 18.35 C ATOM 1722 C VAL A 252 67.237 -11.668 27.820 1.00 18.36 C ATOM 1723 O VAL A 252 67.408 -12.478 26.898 1.00 19.36 O ATOM 1724 CB VAL A 252 66.174 -9.382 27.510 1.00 17.25 C ATOM 1725 CG1 VAL A 252 66.865 -9.273 26.157 1.00 16.97 C ATOM 1726 CG2 VAL A 252 64.841 -8.642 27.465 1.00 16.57 C ATOM 1727 H VAL A 252 65.344 -10.069 29.869 1.00 0.00 H ATOM 1728 N LEU A 253 68.138 -11.493 28.781 1.00 18.07 N ATOM 1729 CA LEU A 253 69.385 -12.241 28.788 1.00 21.58 C ATOM 1730 C LEU A 253 69.160 -13.749 28.884 1.00 24.75 C ATOM 1731 O LEU A 253 69.946 -14.531 28.332 1.00 25.57 O ATOM 1732 CB LEU A 253 70.274 -11.781 29.950 1.00 23.63 C ATOM 1733 CG LEU A 253 70.878 -10.388 29.805 1.00 23.94 C ATOM 1734 CD1 LEU A 253 71.240 -9.860 31.158 1.00 23.73 C ATOM 1735 CD2 LEU A 253 72.135 -10.399 28.896 1.00 25.48 C ATOM 1736 H LEU A 253 67.948 -10.809 29.541 1.00 0.00 H ATOM 1737 N LYS A 254 68.099 -14.164 29.588 1.00 23.31 N ATOM 1738 CA LYS A 254 67.793 -15.581 29.719 1.00 25.98 C ATOM 1739 C LYS A 254 67.238 -16.154 28.416 1.00 24.55 C ATOM 1740 O LYS A 254 67.544 -17.295 28.076 1.00 27.47 O ATOM 1741 CB LYS A 254 66.795 -15.821 30.852 1.00 30.79 C ATOM 1742 CG LYS A 254 67.426 -15.632 32.215 1.00 39.97 C ATOM 1743 CD LYS A 254 66.387 -15.555 33.317 1.00 45.67 C ATOM 1744 CE LYS A 254 67.035 -15.459 34.692 1.00 50.37 C ATOM 1745 NZ LYS A 254 65.971 -15.230 35.705 1.00 52.59 N ATOM 1746 HZ1 LYS A 254 65.471 -14.345 35.487 1.00 0.00 H ATOM 1747 HZ2 LYS A 254 65.299 -16.023 35.685 1.00 0.00 H ATOM 1748 HZ3 LYS A 254 66.402 -15.163 36.649 1.00 0.00 H ATOM 1749 H LYS A 254 67.484 -13.463 30.048 1.00 0.00 H ATOM 1750 N ARG A 255 66.430 -15.371 27.707 1.00 22.78 N ATOM 1751 CA ARG A 255 65.773 -15.850 26.495 1.00 22.98 C ATOM 1752 C ARG A 255 66.739 -15.903 25.322 1.00 23.02 C ATOM 1753 O ARG A 255 66.722 -16.856 24.558 1.00 25.08 O ATOM 1754 CB ARG A 255 64.571 -14.968 26.135 1.00 21.16 C ATOM 1755 CG ARG A 255 63.719 -15.595 25.043 1.00 21.30 C ATOM 1756 CD ARG A 255 62.430 -14.836 24.750 1.00 21.76 C ATOM 1757 NE ARG A 255 61.734 -15.519 23.670 1.00 23.75 N ATOM 1758 CZ ARG A 255 61.004 -16.618 23.830 1.00 26.88 C ATOM 1759 NH1 ARG A 255 60.831 -17.146 25.035 1.00 27.64 N ATOM 1760 NH2 ARG A 255 60.428 -17.186 22.786 1.00 28.12 N ATOM 1761 HE ARG A 255 61.813 -15.122 22.712 1.00 0.00 H ATOM 1762 HH12 ARG A 255 60.258 -18.006 25.148 1.00 0.00 H ATOM 1763 HH11 ARG A 255 61.269 -16.700 25.866 1.00 0.00 H ATOM 1764 HH22 ARG A 255 59.857 -18.046 22.911 1.00 0.00 H ATOM 1765 HH21 ARG A 255 60.546 -16.773 21.839 1.00 0.00 H ATOM 1766 H ARG A 255 66.262 -14.395 28.024 1.00 0.00 H ATOM 1767 N TYR A 256 67.590 -14.889 25.213 1.00 21.71 N ATOM 1768 CA TYR A 256 68.555 -14.771 24.114 1.00 23.01 C ATOM 1769 C TYR A 256 69.981 -14.867 24.640 1.00 24.46 C ATOM 1770 O TYR A 256 70.591 -13.853 24.983 1.00 23.14 O ATOM 1771 CB TYR A 256 68.331 -13.449 23.363 1.00 20.94 C ATOM 1772 CG TYR A 256 66.889 -13.251 22.980 1.00 20.41 C ATOM 1773 CD1 TYR A 256 66.240 -14.152 22.135 1.00 21.69 C ATOM 1774 CD2 TYR A 256 66.159 -12.187 23.482 1.00 19.13 C ATOM 1775 CE1 TYR A 256 64.907 -13.984 21.803 1.00 21.30 C ATOM 1776 CE2 TYR A 256 64.820 -12.018 23.156 1.00 19.32 C ATOM 1777 CZ TYR A 256 64.206 -12.917 22.320 1.00 21.20 C ATOM 1778 OH TYR A 256 62.883 -12.743 22.003 1.00 22.32 O ATOM 1779 HH TYR A 256 62.592 -13.469 21.396 1.00 0.00 H ATOM 1780 H TYR A 256 67.571 -14.145 25.939 1.00 0.00 H ATOM 1781 N ARG A 257 70.515 -16.089 24.693 1.00 27.01 N ATOM 1782 CA ARG A 257 71.817 -16.341 25.315 1.00 30.27 C ATOM 1783 C ARG A 257 73.015 -16.069 24.400 1.00 31.16 C ATOM 1784 O ARG A 257 74.151 -15.982 24.874 1.00 31.32 O ATOM 1785 CB ARG A 257 71.887 -17.787 25.816 1.00 33.28 C ATOM 1786 CG ARG A 257 70.910 -18.077 26.962 1.00 36.33 C ATOM 1787 CD ARG A 257 71.511 -17.771 28.305 1.00 39.64 C ATOM 1788 NE ARG A 257 72.203 -18.932 28.875 1.00 45.07 N ATOM 1789 HE ARG A 257 72.232 -19.830 28.350 1.00 0.00 H ATOM 1790 H ARG A 257 69.991 -16.887 24.280 1.00 0.00 H ATOM 1791 N ASN A 258 72.764 -15.906 23.103 1.00 29.11 N ATOM 1792 CA ASN A 258 73.840 -15.693 22.135 1.00 31.11 C ATOM 1793 C ASN A 258 73.469 -14.550 21.190 1.00 28.33 C ATOM 1794 O ASN A 258 72.758 -14.768 20.215 1.00 29.06 O ATOM 1795 CB ASN A 258 74.090 -16.985 21.355 1.00 34.80 C ATOM 1796 CG ASN A 258 75.137 -16.838 20.270 1.00 38.80 C ATOM 1797 OD1 ASN A 258 76.131 -16.139 20.431 1.00 40.28 O ATOM 1798 ND2 ASN A 258 74.927 -17.535 19.162 1.00 40.31 N ATOM 1799 HD22 ASN A 258 74.069 -18.115 19.068 1.00 0.00 H ATOM 1800 HD21 ASN A 258 75.620 -17.501 18.387 1.00 0.00 H ATOM 1801 H ASN A 258 71.779 -15.931 22.770 1.00 0.00 H ATOM 1802 N ILE A 259 73.953 -13.341 21.487 1.00 25.12 N ATOM 1803 CA ILE A 259 73.521 -12.133 20.782 1.00 23.52 C ATOM 1804 C ILE A 259 74.661 -11.551 19.967 1.00 25.28 C ATOM 1805 O ILE A 259 75.783 -11.392 20.464 1.00 26.28 O ATOM 1806 CB ILE A 259 72.988 -11.077 21.748 1.00 23.55 C ATOM 1807 CG1 ILE A 259 71.802 -11.641 22.525 1.00 22.58 C ATOM 1808 CG2 ILE A 259 72.528 -9.836 20.982 1.00 23.52 C ATOM 1809 CD1 ILE A 259 71.324 -10.748 23.648 1.00 19.67 C ATOM 1810 H ILE A 259 74.660 -13.255 22.244 1.00 0.00 H ATOM 1811 N ASN A 260 74.394 -11.291 18.685 1.00 25.75 N ATOM 1812 CA ASN A 260 75.421 -10.740 17.799 1.00 29.68 C ATOM 1813 C ASN A 260 75.479 -9.220 17.873 1.00 29.25 C ATOM 1814 O ASN A 260 76.564 -8.644 17.911 1.00 31.67 O ATOM 1815 CB ASN A 260 75.178 -11.183 16.360 1.00 33.83 C ATOM 1816 CG ASN A 260 75.710 -12.574 16.088 1.00 39.47 C ATOM 1817 OD1 ASN A 260 76.681 -13.007 16.710 1.00 40.38 O ATOM 1818 ND2 ASN A 260 75.071 -13.288 15.170 1.00 42.37 N ATOM 1819 HD22 ASN A 260 74.255 -12.881 14.670 1.00 0.00 H ATOM 1820 HD21 ASN A 260 75.386 -14.255 14.951 1.00 0.00 H ATOM 1821 H ASN A 260 73.443 -11.483 18.310 1.00 0.00 H ATOM 1822 N ALA A 261 74.308 -8.589 17.882 1.00 26.12 N ATOM 1823 CA ALA A 261 74.173 -7.132 17.993 1.00 25.58 C ATOM 1824 C ALA A 261 72.936 -6.769 18.783 1.00 22.70 C ATOM 1825 O ALA A 261 71.911 -7.433 18.681 1.00 21.88 O ATOM 1826 CB ALA A 261 74.096 -6.497 16.634 1.00 27.38 C ATOM 1827 H ALA A 261 73.441 -9.159 17.806 1.00 0.00 H ATOM 1828 N VAL A 262 73.039 -5.688 19.545 1.00 20.74 N ATOM 1829 CA VAL A 262 71.924 -5.127 20.290 1.00 18.24 C ATOM 1830 C VAL A 262 71.756 -3.682 19.844 1.00 18.67 C ATOM 1831 O VAL A 262 72.704 -2.887 19.906 1.00 22.33 O ATOM 1832 CB VAL A 262 72.164 -5.172 21.829 1.00 19.23 C ATOM 1833 CG1 VAL A 262 71.038 -4.484 22.565 1.00 17.36 C ATOM 1834 CG2 VAL A 262 72.308 -6.597 22.306 1.00 19.75 C ATOM 1835 H VAL A 262 73.964 -5.218 19.613 1.00 0.00 H ATOM 1836 N VAL A 263 70.563 -3.356 19.374 1.00 17.87 N ATOM 1837 CA VAL A 263 70.231 -2.001 18.983 1.00 17.60 C ATOM 1838 C VAL A 263 69.500 -1.276 20.134 1.00 17.31 C ATOM 1839 O VAL A 263 68.398 -1.655 20.511 1.00 17.00 O ATOM 1840 CB VAL A 263 69.353 -2.003 17.710 1.00 17.37 C ATOM 1841 CG1 VAL A 263 69.117 -0.586 17.227 1.00 19.18 C ATOM 1842 CG2 VAL A 263 70.022 -2.799 16.614 1.00 19.63 C ATOM 1843 H VAL A 263 69.839 -4.097 19.282 1.00 0.00 H ATOM 1844 N PRO A 264 70.122 -0.231 20.710 1.00 17.70 N ATOM 1845 CA PRO A 264 69.415 0.465 21.785 1.00 18.18 C ATOM 1846 C PRO A 264 68.413 1.458 21.204 1.00 17.58 C ATOM 1847 O PRO A 264 68.497 1.780 20.016 1.00 19.11 O ATOM 1848 CB PRO A 264 70.556 1.160 22.543 1.00 18.12 C ATOM 1849 CG PRO A 264 71.485 1.561 21.443 1.00 19.72 C ATOM 1850 CD PRO A 264 71.420 0.404 20.424 1.00 19.67 C ATOM 1851 N GLY A 265 67.435 1.890 21.994 1.00 18.24 N ATOM 1852 CA GLY A 265 66.479 2.874 21.525 1.00 18.73 C ATOM 1853 C GLY A 265 67.113 4.190 21.093 1.00 19.84 C ATOM 1854 O GLY A 265 66.583 4.890 20.227 1.00 19.52 O ATOM 1855 H GLY A 265 67.355 1.517 22.962 1.00 0.00 H ATOM 1856 N HIS A 266 68.235 4.535 21.731 1.00 21.18 N ATOM 1857 CA HIS A 266 69.036 5.723 21.420 1.00 23.84 C ATOM 1858 C HIS A 266 70.510 5.360 21.524 1.00 23.49 C ATOM 1859 O HIS A 266 70.896 4.697 22.472 1.00 23.22 O ATOM 1860 CB HIS A 266 68.744 6.883 22.386 1.00 24.53 C ATOM 1861 CG HIS A 266 67.288 7.178 22.546 1.00 25.39 C ATOM 1862 ND1 HIS A 266 66.634 8.115 21.776 1.00 28.01 N ATOM 1863 CD2 HIS A 266 66.349 6.634 23.357 1.00 25.33 C ATOM 1864 CE1 HIS A 266 65.356 8.141 22.108 1.00 27.82 C ATOM 1865 NE2 HIS A 266 65.158 7.253 23.065 1.00 25.98 N ATOM 1866 H HIS A 266 68.563 3.918 22.502 1.00 0.00 H ATOM 1867 N GLY A 267 71.320 5.786 20.560 1.00 23.27 N ATOM 1868 CA GLY A 267 72.765 5.656 20.668 1.00 25.12 C ATOM 1869 C GLY A 267 73.321 4.572 19.773 1.00 26.90 C ATOM 1870 O GLY A 267 72.607 4.043 18.924 1.00 26.01 O ATOM 1871 H GLY A 267 70.911 6.222 19.709 1.00 0.00 H ATOM 1872 N GLU A 268 74.583 4.207 19.988 1.00 26.96 N ATOM 1873 CA GLU A 268 75.279 3.336 19.046 1.00 27.58 C ATOM 1874 C GLU A 268 74.925 1.880 19.271 1.00 23.62 C ATOM 1875 O GLU A 268 74.634 1.468 20.386 1.00 22.15 O ATOM 1876 CB GLU A 268 76.797 3.547 19.141 1.00 30.85 C ATOM 1877 CG GLU A 268 77.231 4.955 18.779 1.00 35.19 C ATOM 1878 CD GLU A 268 77.023 5.275 17.305 1.00 38.31 C ATOM 1879 H GLU A 268 75.079 4.546 20.837 1.00 0.00 H ATOM 1880 N VAL A 280 74.897 1.116 18.180 1.00 25.16 N ATOM 1881 CA VAL A 280 74.692 -0.317 18.250 1.00 24.77 C ATOM 1882 C VAL A 280 75.834 -0.936 19.045 1.00 25.43 C ATOM 1883 O VAL A 280 76.980 -0.551 18.873 1.00 24.08 O ATOM 1884 CB VAL A 280 74.633 -0.958 16.863 1.00 27.90 C ATOM 1885 CG1 VAL A 280 74.707 -2.486 16.985 1.00 27.67 C ATOM 1886 CG2 VAL A 280 73.356 -0.515 16.143 1.00 29.15 C ATOM 1887 H VAL A 280 75.026 1.562 17.249 1.00 0.00 H ATOM 1888 N GLY A 281 75.503 -1.896 19.899 1.00 24.99 N ATOM 1889 CA GLY A 281 76.487 -2.575 20.735 1.00 26.32 C ATOM 1890 C GLY A 281 76.211 -4.067 20.761 1.00 26.11 C ATOM 1891 O GLY A 281 75.702 -4.629 19.789 1.00 27.71 O ATOM 1892 H GLY A 281 74.504 -2.175 19.975 1.00 0.00 H ATOM 1893 N ASP A 282 76.562 -4.722 21.861 1.00 25.41 N ATOM 1894 CA ASP A 282 76.253 -6.133 22.011 1.00 25.62 C ATOM 1895 C ASP A 282 75.623 -6.376 23.363 1.00 23.84 C ATOM 1896 O ASP A 282 75.003 -5.482 23.924 1.00 23.03 O ATOM 1897 CB ASP A 282 77.509 -6.996 21.797 1.00 29.06 C ATOM 1898 CG ASP A 282 78.631 -6.710 22.796 1.00 30.32 C ATOM 1899 OD1 ASP A 282 78.416 -6.092 23.862 1.00 28.12 O ATOM 1900 OD2 ASP A 282 79.755 -7.152 22.502 1.00 32.15 O ATOM 1901 H ASP A 282 77.063 -4.220 22.622 1.00 0.00 H ATOM 1902 N LYS A 283 75.741 -7.599 23.859 1.00 25.94 N ATOM 1903 CA LYS A 283 75.158 -7.994 25.130 1.00 26.32 C ATOM 1904 C LYS A 283 75.594 -7.036 26.234 1.00 25.34 C ATOM 1905 O LYS A 283 74.864 -6.829 27.207 1.00 23.92 O ATOM 1906 CB LYS A 283 75.568 -9.436 25.446 1.00 31.67 C ATOM 1907 CG LYS A 283 75.219 -9.958 26.813 1.00 33.42 C ATOM 1908 CD LYS A 283 75.877 -11.324 27.026 1.00 37.20 C ATOM 1909 CE LYS A 283 75.990 -11.695 28.507 1.00 40.24 C ATOM 1910 NZ LYS A 283 76.870 -12.888 28.705 1.00 42.82 N ATOM 1911 HZ1 LYS A 283 76.473 -13.700 28.190 1.00 0.00 H ATOM 1912 HZ2 LYS A 283 77.822 -12.679 28.343 1.00 0.00 H ATOM 1913 HZ3 LYS A 283 76.925 -13.112 29.719 1.00 0.00 H ATOM 1914 H LYS A 283 76.274 -8.307 23.315 1.00 0.00 H ATOM 1915 N GLY A 284 76.778 -6.444 26.059 1.00 23.14 N ATOM 1916 CA GLY A 284 77.310 -5.474 27.009 1.00 22.62 C ATOM 1917 C GLY A 284 76.365 -4.321 27.327 1.00 20.00 C ATOM 1918 O GLY A 284 76.401 -3.767 28.441 1.00 21.32 O ATOM 1919 H GLY A 284 77.340 -6.683 25.217 1.00 0.00 H ATOM 1920 N LEU A 285 75.527 -3.940 26.363 1.00 19.96 N ATOM 1921 CA LEU A 285 74.552 -2.871 26.599 1.00 19.84 C ATOM 1922 C LEU A 285 73.519 -3.294 27.633 1.00 18.47 C ATOM 1923 O LEU A 285 73.030 -2.458 28.398 1.00 17.43 O ATOM 1924 CB LEU A 285 73.837 -2.474 25.296 1.00 19.53 C ATOM 1925 CG LEU A 285 74.705 -1.896 24.179 1.00 23.23 C ATOM 1926 CD1 LEU A 285 73.802 -1.338 23.076 1.00 21.79 C ATOM 1927 CD2 LEU A 285 75.627 -0.816 24.688 1.00 24.90 C ATOM 1928 H LEU A 285 75.565 -4.406 25.434 1.00 0.00 H ATOM 1929 N LEU A 286 73.145 -4.575 27.629 1.00 18.39 N ATOM 1930 CA LEU A 286 72.235 -5.090 28.659 1.00 16.58 C ATOM 1931 C LEU A 286 72.862 -5.025 30.057 1.00 18.20 C ATOM 1932 O LEU A 286 72.198 -4.639 31.040 1.00 15.41 O ATOM 1933 CB LEU A 286 71.820 -6.524 28.326 1.00 19.10 C ATOM 1934 CG LEU A 286 71.110 -6.627 26.968 1.00 22.56 C ATOM 1935 CD1 LEU A 286 70.877 -8.081 26.533 1.00 26.72 C ATOM 1936 CD2 LEU A 286 69.820 -5.916 27.079 1.00 21.95 C ATOM 1937 H LEU A 286 73.501 -5.214 26.890 1.00 0.00 H ATOM 1938 N LEU A 287 74.149 -5.369 30.138 1.00 19.56 N ATOM 1939 CA LEU A 287 74.869 -5.322 31.393 1.00 20.38 C ATOM 1940 C LEU A 287 75.048 -3.869 31.832 1.00 20.45 C ATOM 1941 O LEU A 287 74.953 -3.554 33.022 1.00 19.88 O ATOM 1942 CB LEU A 287 76.231 -6.031 31.269 1.00 22.71 C ATOM 1943 CG LEU A 287 76.161 -7.474 30.761 1.00 25.10 C ATOM 1944 CD1 LEU A 287 77.544 -8.105 30.718 1.00 28.88 C ATOM 1945 CD2 LEU A 287 75.230 -8.309 31.627 1.00 27.54 C ATOM 1946 H LEU A 287 74.647 -5.678 29.279 1.00 0.00 H ATOM 1947 N HIS A 288 75.287 -2.984 30.867 1.00 19.37 N ATOM 1948 CA HIS A 288 75.389 -1.549 31.162 1.00 21.48 C ATOM 1949 C HIS A 288 74.083 -1.058 31.794 1.00 19.56 C ATOM 1950 O HIS A 288 74.089 -0.314 32.786 1.00 19.71 O ATOM 1951 CB HIS A 288 75.728 -0.782 29.872 1.00 22.16 C ATOM 1952 CG HIS A 288 75.727 0.710 30.007 1.00 23.15 C ATOM 1953 ND1 HIS A 288 76.499 1.385 30.932 1.00 22.82 N ATOM 1954 CD2 HIS A 288 75.088 1.662 29.281 1.00 22.23 C ATOM 1955 CE1 HIS A 288 76.310 2.685 30.788 1.00 23.77 C ATOM 1956 NE2 HIS A 288 75.468 2.882 29.786 1.00 23.33 N ATOM 1957 H HIS A 288 75.403 -3.314 29.888 1.00 0.00 H ATOM 1958 N THR A 289 72.959 -1.461 31.210 1.00 18.34 N ATOM 1959 CA THR A 289 71.658 -1.061 31.717 1.00 16.02 C ATOM 1960 C THR A 289 71.464 -1.547 33.154 1.00 16.16 C ATOM 1961 O THR A 289 70.989 -0.783 33.996 1.00 17.58 O ATOM 1962 CB THR A 289 70.516 -1.584 30.813 1.00 16.08 C ATOM 1963 OG1 THR A 289 70.680 -1.060 29.496 1.00 17.71 O ATOM 1964 CG2 THR A 289 69.171 -1.144 31.343 1.00 14.52 C ATOM 1965 HG1 THR A 289 71.553 -1.353 29.132 1.00 0.00 H ATOM 1966 H THR A 289 73.012 -2.075 30.373 1.00 0.00 H ATOM 1967 N LEU A 290 71.838 -2.795 33.451 1.00 16.26 N ATOM 1968 CA LEU A 290 71.792 -3.293 34.821 1.00 17.88 C ATOM 1969 C LEU A 290 72.615 -2.427 35.771 1.00 20.38 C ATOM 1970 O LEU A 290 72.174 -2.165 36.879 1.00 20.68 O ATOM 1971 CB LEU A 290 72.288 -4.746 34.898 1.00 21.02 C ATOM 1972 CG LEU A 290 71.366 -5.781 34.237 1.00 20.14 C ATOM 1973 CD1 LEU A 290 71.982 -7.152 34.224 1.00 20.51 C ATOM 1974 CD2 LEU A 290 70.018 -5.789 34.958 1.00 19.02 C ATOM 1975 H LEU A 290 72.168 -3.423 32.691 1.00 0.00 H ATOM 1976 N ASP A 291 73.802 -1.989 35.347 1.00 20.19 N ATOM 1977 CA ASP A 291 74.660 -1.200 36.237 1.00 22.27 C ATOM 1978 C ASP A 291 74.027 0.169 36.490 1.00 22.49 C ATOM 1979 O ASP A 291 74.103 0.704 37.596 1.00 22.92 O ATOM 1980 CB ASP A 291 76.049 -1.016 35.663 1.00 23.70 C ATOM 1981 CG ASP A 291 77.018 -0.479 36.685 1.00 25.98 C ATOM 1982 OD1 ASP A 291 77.116 -1.077 37.779 1.00 25.52 O ATOM 1983 OD2 ASP A 291 77.648 0.558 36.424 1.00 27.44 O ATOM 1984 H ASP A 291 74.120 -2.208 34.381 1.00 0.00 H ATOM 1985 N LEU A 292 73.400 0.728 35.460 1.00 22.18 N ATOM 1986 CA LEU A 292 72.738 2.023 35.592 1.00 21.96 C ATOM 1987 C LEU A 292 71.567 1.968 36.551 1.00 22.75 C ATOM 1988 O LEU A 292 71.196 2.985 37.134 1.00 24.29 O ATOM 1989 CB LEU A 292 72.260 2.521 34.236 1.00 21.21 C ATOM 1990 CG LEU A 292 73.342 2.989 33.280 1.00 20.19 C ATOM 1991 CD1 LEU A 292 72.722 3.308 31.929 1.00 20.17 C ATOM 1992 CD2 LEU A 292 74.094 4.212 33.849 1.00 21.38 C ATOM 1993 H LEU A 292 73.381 0.235 34.545 1.00 0.00 H ATOM 1994 N LEU A 293 71.002 0.777 36.729 1.00 20.00 N ATOM 1995 CA LEU A 293 69.866 0.575 37.617 1.00 20.51 C ATOM 1996 C LEU A 293 70.238 0.407 39.097 1.00 22.40 C ATOM 1997 O LEU A 293 69.355 0.357 39.960 1.00 21.46 O ATOM 1998 CB LEU A 293 69.072 -0.654 37.162 1.00 18.77 C ATOM 1999 CG LEU A 293 68.252 -0.403 35.901 1.00 16.89 C ATOM 2000 CD1 LEU A 293 67.891 -1.713 35.206 1.00 17.57 C ATOM 2001 CD2 LEU A 293 66.992 0.377 36.300 1.00 16.79 C ATOM 2002 H LEU A 293 71.386 -0.041 36.214 1.00 0.00 H ATOM 2003 N LYS A 294 71.530 0.334 39.396 1.00 24.66 N ATOM 2004 CA LYS A 294 71.954 0.121 40.772 1.00 29.91 C ATOM 2005 C LYS A 294 72.012 1.438 41.547 1.00 32.96 C ATOM 2006 O LYS A 294 72.043 2.539 41.002 1.00 32.90 O ATOM 2007 CB LYS A 294 73.295 -0.629 40.785 1.00 32.27 C ATOM 2008 CG LYS A 294 73.070 -2.114 40.408 1.00 34.57 C ATOM 2009 CD LYS A 294 74.311 -2.868 40.111 1.00 39.32 C ATOM 2010 CE LYS A 294 74.002 -4.237 39.515 1.00 40.32 C ATOM 2011 OXT LYS A 294 71.998 1.432 42.766 1.00 36.27 O ATOM 2012 H LYS A 294 72.242 0.429 38.644 1.00 0.00 H TER 2013 LYS A 294 HETATM 2014 ZN ZN A 1 63.490 6.342 24.229 1.00 26.13 ZN HETATM 2015 ZN ZN A 2 59.842 5.777 26.063 1.00 20.28 ZN HETATM 2016 O HOH 3 83.239 -0.680 6.956 1.00 59.38 O HETATM 2017 O HOH 4 63.338 15.866 8.738 1.00 51.44 O HETATM 2018 O HOH 5 71.369 4.519 11.709 1.00 31.10 O HETATM 2019 O HOH 6 76.412 -5.284 5.451 1.00 46.46 O HETATM 2020 O HOH 7 69.183 -4.278 1.966 1.00 42.74 O HETATM 2021 O HOH 8 73.233 3.873 14.664 1.00 57.08 O HETATM 2022 O HOH 9 70.081 -3.362 -0.902 1.00 50.53 O HETATM 2023 O HOH 10 73.458 6.074 15.197 1.00 45.57 O HETATM 2024 O HOH 11 63.314 6.022 15.806 1.00 27.96 O HETATM 2025 O HOH 12 72.933 8.114 17.293 1.00 35.36 O HETATM 2026 O HOH 13 72.950 10.565 15.887 1.00 40.37 O HETATM 2027 O HOH 14 63.858 0.579 17.985 1.00 25.61 O HETATM 2028 O HOH 15 70.482 7.001 18.066 1.00 25.00 O HETATM 2029 O HOH 16 55.278 16.335 6.005 1.00 42.24 O HETATM 2030 O HOH 17 49.618 14.400 9.283 1.00 45.40 O HETATM 2031 O HOH 18 64.584 -10.881 4.164 1.00 45.79 O HETATM 2032 O HOH 19 65.667 -4.198 -2.248 1.00 35.57 O HETATM 2033 O HOH 20 65.465 9.545 -0.827 1.00 38.23 O HETATM 2034 O HOH 21 67.378 6.175 -3.310 1.00 37.69 O HETATM 2035 O HOH 22 62.664 -12.222 2.779 1.00 31.48 O HETATM 2036 O HOH 23 60.427 -15.151 0.010 1.00 44.86 O HETATM 2037 O HOH 24 54.516 -5.463 -0.586 1.00 28.95 O HETATM 2038 O HOH 25 53.990 4.614 28.998 1.00 39.34 O HETATM 2039 O HOH 26 54.251 12.858 18.584 1.00 42.99 O HETATM 2040 O HOH 27 57.391 14.269 19.195 1.00 39.41 O HETATM 2041 O HOH 28 43.281 -1.486 14.627 1.00 46.04 O HETATM 2042 O HOH 29 59.955 16.959 12.679 1.00 38.86 O HETATM 2043 O HOH 30 54.794 16.020 12.241 1.00 33.08 O HETATM 2044 O HOH 31 46.130 -2.657 9.786 1.00 32.56 O HETATM 2045 O HOH 32 53.006 14.166 14.208 1.00 25.43 O HETATM 2046 O HOH 33 50.734 10.416 14.583 1.00 20.29 O HETATM 2047 O HOH 34 52.069 -6.756 27.479 1.00 17.58 O HETATM 2048 O HOH 35 53.408 15.466 8.249 1.00 39.98 O HETATM 2049 O HOH 36 57.548 14.844 5.852 1.00 38.39 O HETATM 2050 O HOH 37 47.670 -6.293 28.321 1.00 31.13 O HETATM 2051 O HOH 38 41.528 5.615 26.888 1.00 39.12 O HETATM 2052 O HOH 39 49.951 11.879 8.676 1.00 36.27 O HETATM 2053 O HOH 40 62.402 11.031 2.368 1.00 38.70 O HETATM 2054 O HOH 41 59.665 7.329 -1.961 1.00 20.52 O HETATM 2055 O HOH 42 57.716 13.914 3.219 1.00 42.14 O HETATM 2056 O HOH 43 60.348 12.514 1.305 1.00 37.39 O HETATM 2057 O HOH 44 54.274 10.106 -0.257 1.00 27.72 O HETATM 2058 O HOH 45 66.099 6.998 -0.859 1.00 27.96 O HETATM 2059 O HOH 46 57.241 6.547 -0.859 1.00 20.69 O HETATM 2060 O HOH 47 54.396 5.516 1.333 1.00 13.85 O HETATM 2061 O HOH 48 44.046 -3.687 21.272 1.00 28.96 O HETATM 2062 O HOH 49 69.093 4.356 -4.059 1.00 45.42 O HETATM 2063 O HOH 50 54.094 -17.019 26.036 1.00 46.64 O HETATM 2064 O HOH 51 62.085 -4.751 -5.494 1.00 49.05 O HETATM 2065 O HOH 52 56.318 -3.905 -2.053 1.00 17.45 O HETATM 2066 O HOH 53 56.935 -10.717 32.550 1.00 53.21 O HETATM 2067 O HOH 54 51.302 -7.225 30.210 1.00 27.60 O HETATM 2068 O HOH 55 55.584 -8.243 34.197 1.00 33.99 O HETATM 2069 O HOH 56 50.216 -2.993 4.736 1.00 16.67 O HETATM 2070 O HOH 57 51.932 -7.266 5.480 1.00 31.45 O HETATM 2071 O HOH 58 51.388 -8.687 8.416 1.00 31.17 O HETATM 2072 O HOH 59 53.950 -3.072 21.732 1.00 11.91 O HETATM 2073 O HOH 60 61.111 0.536 23.206 1.00 14.97 O HETATM 2074 O HOH 61 54.458 3.682 26.855 1.00 21.35 O HETATM 2075 O HOH 62 52.897 5.961 27.450 1.00 34.11 O HETATM 2076 O HOH 63 67.391 7.974 37.245 1.00 40.43 O HETATM 2077 O HOH 64 65.732 6.148 38.465 1.00 48.79 O HETATM 2078 O HOH 65 52.601 12.865 16.844 1.00 32.74 O HETATM 2079 O HOH 66 67.103 3.317 39.731 1.00 35.18 O HETATM 2080 O HOH 67 45.475 8.114 10.258 1.00 30.09 O HETATM 2081 O HOH 68 59.919 -7.900 38.153 1.00 30.90 O HETATM 2082 O HOH 69 71.557 -6.578 38.716 1.00 29.32 O HETATM 2083 O HOH 70 66.094 -11.468 37.537 1.00 38.25 O HETATM 2084 O HOH 71 43.390 6.270 8.563 1.00 37.95 O HETATM 2085 O HOH 72 45.745 -0.408 14.063 1.00 21.88 O HETATM 2086 O HOH 73 43.206 5.315 13.413 1.00 45.62 O HETATM 2087 O HOH 74 63.314 -18.944 27.782 1.00 55.58 O HETATM 2088 O HOH 75 54.635 7.325 -0.618 1.00 23.67 O HETATM 2089 O HOH 76 47.187 0.663 9.561 1.00 38.70 O HETATM 2090 O HOH 77 46.692 -6.977 4.039 1.00 45.85 O HETATM 2091 O HOH 78 50.316 -7.949 3.014 1.00 50.47 O HETATM 2092 O HOH 79 48.800 -6.445 2.258 1.00 47.54 O HETATM 2093 O HOH 80 47.499 -0.956 11.903 1.00 17.16 O HETATM 2094 O HOH 81 53.175 -4.319 26.334 1.00 12.44 O HETATM 2095 O HOH 82 48.861 -8.187 24.109 1.00 22.23 O HETATM 2096 O HOH 83 49.522 -6.511 26.329 1.00 16.27 O HETATM 2097 O HOH 84 44.253 -2.658 23.594 1.00 27.66 O HETATM 2098 O HOH 85 46.211 -4.418 27.585 1.00 38.84 O HETATM 2099 O HOH 86 75.636 -7.223 35.440 1.00 39.00 O HETATM 2100 O HOH 87 42.987 3.164 26.760 1.00 33.06 O HETATM 2101 O HOH 88 43.165 2.638 28.983 1.00 38.77 O HETATM 2102 O HOH 89 41.912 9.856 25.648 1.00 49.28 O HETATM 2103 O HOH 90 40.174 7.901 25.213 1.00 47.20 O HETATM 2104 O HOH 91 49.916 12.389 24.468 1.00 32.61 O HETATM 2105 O HOH 92 52.023 6.202 29.430 1.00 38.44 O HETATM 2106 O HOH 93 42.866 6.651 20.014 1.00 38.29 O HETATM 2107 O HOH 94 48.174 9.682 16.185 1.00 38.98 O HETATM 2108 O HOH 95 42.485 4.594 16.717 1.00 38.58 O HETATM 2109 O HOH 96 43.933 -1.832 19.013 1.00 24.83 O HETATM 2110 O HOH 97 44.856 -7.672 14.221 1.00 43.12 O HETATM 2111 O HOH 98 46.177 -9.430 21.412 1.00 37.56 O HETATM 2112 O HOH 99 43.878 -5.953 21.180 1.00 32.50 O HETATM 2113 O HOH 100 49.551 -10.443 14.179 1.00 40.07 O HETATM 2114 O HOH 101 55.555 -9.651 22.068 1.00 19.76 O HETATM 2115 O HOH 102 46.752 -9.708 24.246 1.00 44.96 O HETATM 2116 O HOH 103 52.688 -15.429 24.374 1.00 25.84 O HETATM 2117 O HOH 104 50.428 -13.231 26.105 1.00 36.36 O HETATM 2118 O HOH 105 52.246 -9.048 26.601 1.00 36.07 O HETATM 2119 O HOH 106 51.845 -9.818 30.618 1.00 40.81 O HETATM 2120 O HOH 107 51.230 -14.804 19.126 1.00 33.54 O HETATM 2121 O HOH 108 51.384 -16.282 21.780 1.00 42.52 O HETATM 2122 O HOH 109 53.796 -17.441 21.366 1.00 45.43 O HETATM 2123 O HOH 110 52.991 -16.223 17.656 1.00 26.72 O HETATM 2124 O HOH 111 59.269 -15.889 13.591 1.00 37.93 O HETATM 2125 O HOH 112 55.732 -18.149 18.746 1.00 39.33 O HETATM 2126 O HOH 113 53.061 -10.897 6.931 1.00 54.20 O HETATM 2127 O HOH 114 65.519 -13.267 11.540 1.00 21.75 O HETATM 2128 O HOH 115 63.349 -17.312 20.601 1.00 38.91 O HETATM 2129 O HOH 116 57.596 -11.732 30.245 1.00 36.59 O HETATM 2130 O HOH 117 52.036 -5.709 32.572 1.00 44.80 O HETATM 2131 O HOH 118 57.446 -6.700 35.154 1.00 19.69 O HETATM 2132 O HOH 119 54.742 -5.256 38.757 1.00 38.38 O HETATM 2133 O HOH 120 59.793 6.407 31.109 1.00 20.96 O HETATM 2134 O HOH 121 64.772 5.452 29.564 1.00 30.51 O HETATM 2135 O HOH 122 54.777 3.092 31.627 1.00 17.21 O HETATM 2136 O HOH 123 50.763 -1.672 33.458 1.00 10.94 O HETATM 2137 O HOH 124 61.877 -1.749 24.518 1.00 13.85 O HETATM 2138 O HOH 125 66.743 -17.615 18.213 1.00 30.79 O HETATM 2139 O HOH 126 66.262 -18.851 12.683 1.00 37.89 O HETATM 2140 O HOH 127 71.225 -17.094 13.831 1.00 35.99 O HETATM 2141 O HOH 128 68.824 -17.921 16.545 1.00 35.80 O HETATM 2142 O HOH 129 66.156 -12.901 6.186 1.00 43.39 O HETATM 2143 O HOH 130 74.032 -11.358 12.348 1.00 41.58 O HETATM 2144 O HOH 131 65.783 0.149 19.491 1.00 19.51 O HETATM 2145 O HOH 132 66.295 4.567 26.595 1.00 24.78 O HETATM 2146 O HOH 133 68.219 3.592 24.639 1.00 15.20 O HETATM 2147 O HOH 134 69.227 8.069 27.090 1.00 43.02 O HETATM 2148 O HOH 135 70.553 5.079 25.494 1.00 20.15 O HETATM 2149 O HOH 136 76.710 4.303 22.574 1.00 38.58 O HETATM 2150 O HOH 137 76.173 1.819 22.542 1.00 20.86 O HETATM 2151 O HOH 138 78.355 0.313 21.730 1.00 40.24 O HETATM 2152 O HOH 139 78.392 -0.793 27.206 1.00 40.37 O HETATM 2153 O HOH 140 77.765 10.801 26.967 1.00 41.93 O HETATM 2154 O HOH 141 74.006 10.471 29.490 1.00 39.42 O HETATM 2155 O HOH 142 73.899 6.988 36.653 1.00 34.41 O HETATM 2156 O HOH 143 78.142 4.391 32.719 1.00 30.36 O HETATM 2157 O HOH 144 71.192 9.194 29.436 1.00 37.29 O HETATM 2158 O HOH 145 69.556 7.565 36.149 1.00 31.54 O HETATM 2159 O HOH 146 62.858 11.507 33.548 1.00 37.93 O HETATM 2160 O HOH 147 67.290 10.100 34.722 1.00 41.32 O HETATM 2161 O HOH 148 61.058 5.928 38.469 1.00 45.35 O HETATM 2162 O HOH 149 60.974 11.784 35.526 1.00 40.73 O HETATM 2163 O HOH 150 54.398 10.954 32.655 1.00 39.50 O HETATM 2164 O HOH 151 60.303 3.701 38.710 1.00 28.96 O HETATM 2165 O HOH 152 53.812 4.445 34.860 1.00 48.56 O HETATM 2166 O HOH 153 65.788 -2.821 38.981 1.00 35.80 O HETATM 2167 O HOH 154 66.884 0.888 40.260 1.00 32.41 O HETATM 2168 O HOH 155 64.192 -5.749 39.045 1.00 37.77 O HETATM 2169 O HOH 156 59.963 -8.008 35.291 1.00 21.72 O HETATM 2170 O HOH 157 70.518 -3.892 38.247 1.00 17.47 O HETATM 2171 O HOH 158 64.636 -12.718 35.497 1.00 43.11 O HETATM 2172 O HOH 159 73.529 -10.813 34.849 1.00 39.49 O HETATM 2173 O HOH 160 70.040 -8.541 37.911 1.00 35.73 O HETATM 2174 O HOH 161 74.096 -7.012 38.002 1.00 35.91 O HETATM 2175 O HOH 162 63.051 -15.078 29.688 1.00 26.85 O HETATM 2176 O HOH 163 59.396 -10.387 34.977 1.00 32.04 O HETATM 2177 O HOH 164 59.610 -12.436 35.578 1.00 43.63 O HETATM 2178 O HOH 165 72.877 -13.824 28.127 1.00 39.26 O HETATM 2179 O HOH 166 68.446 -19.101 29.393 1.00 36.88 O HETATM 2180 O HOH 167 65.093 -19.164 24.337 1.00 49.84 O HETATM 2181 O HOH 168 69.099 -18.386 23.924 1.00 29.47 O HETATM 2182 O HOH 169 58.774 -19.483 23.546 1.00 43.65 O HETATM 2183 O HOH 170 61.693 -16.560 27.636 1.00 25.01 O HETATM 2184 O HOH 171 73.009 -12.802 25.902 1.00 28.26 O HETATM 2185 O HOH 172 70.519 -16.503 21.301 1.00 33.18 O HETATM 2186 O HOH 173 75.143 -12.984 23.958 1.00 30.63 O HETATM 2187 O HOH 174 76.720 -10.177 22.549 1.00 26.54 O HETATM 2188 O HOH 175 78.694 -12.193 20.486 1.00 46.42 O HETATM 2189 O HOH 176 79.045 -9.402 18.615 1.00 46.55 O HETATM 2190 O HOH 177 75.682 2.260 15.655 1.00 37.06 O HETATM 2191 O HOH 178 77.477 -2.382 14.421 1.00 48.81 O HETATM 2192 O HOH 179 78.172 -3.133 23.786 1.00 34.08 O HETATM 2193 O HOH 180 80.291 -9.121 20.597 1.00 49.27 O HETATM 2194 O HOH 181 79.060 -2.689 26.482 1.00 33.47 O HETATM 2195 O HOH 182 80.247 -6.995 28.197 1.00 33.55 O HETATM 2196 O HOH 183 76.518 -4.933 35.017 1.00 18.02 O HETATM 2197 O HOH 184 74.308 2.927 38.987 1.00 34.30 O HETATM 2198 O HOH 185 76.951 -3.599 39.533 1.00 36.64 O HETATM 2199 O HOH 186 76.945 -3.749 37.380 1.00 49.34 O HETATM 2200 O HOH 187 76.689 0.357 40.195 1.00 25.93 O HETATM 2201 O HOH 188 69.870 3.757 39.464 1.00 35.48 O HETATM 2202 O HOH 189 71.476 5.712 36.507 1.00 30.84 O HETATM 2203 O HOH 190 45.810 9.902 2.433 1.00 38.44 O HETATM 2204 N01 OK A 3 53.672 10.370 29.728 1.00 0.23 N HETATM 2205 C02 OK A 3 54.290 11.592 29.356 1.00 0.00 C HETATM 2206 C03 OK A 3 55.370 11.329 28.307 1.00 0.01 C HETATM 2207 C04 OK A 3 55.043 11.274 26.959 1.00 -0.05 C HETATM 2208 C05 OK A 3 56.039 11.025 25.998 1.00 -0.05 C HETATM 2209 C06 OK A 3 57.367 10.861 26.389 1.00 0.04 C HETATM 2210 C07 OK A 3 57.665 10.884 27.739 1.00 -0.05 C HETATM 2211 C08 OK A 3 56.697 11.133 28.702 1.00 -0.05 C HETATM 2212 H OK A 3 56.969 11.175 29.757 1.00 0.06 H HETATM 2213 H OK A 3 58.691 10.701 28.057 1.00 0.07 H HETATM 2214 C09 OK A 3 58.440 10.540 25.329 1.00 0.17 C HETATM 2215 O10 OK A 3 58.216 10.738 24.139 1.00 -0.39 O HETATM 2216 N11 OK A 3 59.705 9.933 25.685 1.00 -0.44 N HETATM 2217 C12 OK A 3 60.650 9.529 24.663 1.00 -0.22 C HETATM 2218 C13 OK A 3 61.689 10.492 24.247 1.00 -0.16 C HETATM 2219 C14 OK A 3 62.960 10.326 25.057 1.00 -0.13 C HETATM 2220 C15 OK A 3 63.394 9.080 25.463 1.00 0.05 C HETATM 2221 O16 OK A 3 62.627 7.890 25.072 1.00 -0.18 O HETATM 2222 O19 OK A 3 61.093 8.042 26.964 1.00 -0.87 O HETATM 2223 H OK A 3 61.377 7.179 27.274 1.00 -0.13 H HETATM 2224 O18 OK A 3 60.447 6.774 24.677 1.00 -0.87 O HETATM 2225 H3 OK A 3 60.631 6.707 23.747 1.00 -0.13 H HETATM 2226 C20 OK A 3 64.568 8.934 26.215 1.00 -0.08 C HETATM 2227 C21 OK A 3 65.271 10.074 26.587 1.00 -0.16 C HETATM 2228 C22 OK A 3 64.831 11.348 26.174 1.00 -0.17 C HETATM 2229 C23 OK A 3 63.664 11.477 25.398 1.00 -0.17 C HETATM 2230 H OK A 3 63.319 12.458 25.071 1.00 -0.02 H HETATM 2231 H OK A 3 65.396 12.236 26.457 1.00 0.03 H HETATM 2232 H OK A 3 66.167 9.982 27.201 1.00 0.01 H HETATM 2233 C24 OK A 3 64.970 7.551 26.687 1.00 -0.02 C HETATM 2234 O25 OK A 3 65.493 7.475 27.829 1.00 -0.60 O HETATM 2235 O26 OK A 3 64.724 6.488 26.051 1.00 -0.60 O HETATM 2236 H OK A 3 61.308 11.501 24.407 1.00 -0.00 H HETATM 2237 H OK A 3 61.924 10.314 23.198 1.00 -0.00 H HETATM 2238 H OK A 3 60.162 9.432 23.693 1.00 -0.18 H HETATM 2239 H OK A 3 59.934 9.788 26.668 1.00 0.15 H HETATM 2240 H OK A 3 55.772 10.960 24.943 1.00 0.07 H HETATM 2241 H OK A 3 54.010 11.424 26.644 1.00 0.06 H HETATM 2242 H OK A 3 54.746 12.047 30.235 1.00 0.10 H HETATM 2243 H OK A 3 53.539 12.263 28.939 1.00 0.10 H HETATM 2244 H OK A 3 52.953 10.553 30.428 1.00 0.20 H HETATM 2245 H OK A 3 53.247 9.941 28.906 1.00 0.20 H HETATM 2246 H OK A 3 54.374 9.740 30.117 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 258 259 263 264 265 CONECT 263 258 CONECT 264 258 CONECT 265 258 CONECT 716 714 715 2015 CONECT 730 729 732 2015 CONECT 748 746 2014 CONECT 1291 1289 1290 2015 CONECT 1467 1466 2014 CONECT 1865 1863 1864 2014 CONECT 2014 748 1467 1865 CONECT 2015 716 730 1291 CONECT 2204 2205 2244 2245 2246 CONECT 2205 2204 2206 2242 2243 CONECT 2206 2205 2207 2211 CONECT 2207 2206 2208 2241 CONECT 2208 2207 2209 2240 CONECT 2209 2208 2210 2214 CONECT 2210 2209 2211 2213 CONECT 2211 2206 2210 2212 CONECT 2212 2211 CONECT 2213 2210 CONECT 2214 2209 2215 2216 CONECT 2215 2214 CONECT 2216 2214 2217 2239 CONECT 2217 0 2216 2218 2238 CONECT 2218 2217 2219 2236 2237 CONECT 2219 2218 2220 2229 CONECT 2220 2219 2221 2226 CONECT 2221 0 2220 CONECT 2222 0 2223 CONECT 2223 2222 CONECT 2224 0 2225 CONECT 2225 2224 CONECT 2226 2220 2227 2233 CONECT 2227 2226 2228 2232 CONECT 2228 2227 2229 2231 CONECT 2229 2219 2228 2230 CONECT 2230 2229 CONECT 2231 2228 CONECT 2232 2227 CONECT 2233 2226 2234 2235 CONECT 2234 2233 CONECT 2235 2233 CONECT 2236 2218 CONECT 2237 2218 CONECT 2238 2217 CONECT 2239 2216 CONECT 2240 2208 CONECT 2241 2207 CONECT 2242 2205 CONECT 2243 2205 CONECT 2244 2204 CONECT 2245 2204 CONECT 2246 2204 MASTER 0 0 0 0 0 0 0 0 2244 2 59 18 END
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Structure:
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Related entries of code: 5fqb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
227aa, >4C1C_1|Chain... *
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RCSB PDB
PDBbind
227aa, >4C1H_1|Chain... at 100%
4nq6
RCSB PDB
PDBbind
222aa, >4NQ6_1|Chain... at 100%
4tyt
RCSB PDB
PDBbind
227aa, >4TYT_1|Chain... at 100%
5jmx
RCSB PDB
PDBbind
227aa, >5JMX_1|Chain... at 100%
6eum
RCSB PDB
PDBbind
227aa, >6EUM_1|Chain... at 100%
6ewe
RCSB PDB
PDBbind
227aa, >6EWE_1|Chain... at 100%
6f2n
RCSB PDB
PDBbind
227aa, >6F2N_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5fqc
RCSB PDB
PDBbind
OK3
5j8x
RCSB PDB
PDBbind
OK3
5ne1
RCSB PDB
PDBbind
OK3
Entry Information
PDB ID
5fqb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bacillus cereus Metallo-Beta-Lactamase, Bc II
Ligand Name
OK3
EC.Number
E.C.3.5.2.6
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=0.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Commun. Vol. 7: pp. 1-8
Ligand Properties
Formula
C
1
7
H
1
9
BN
2
O
6
Molecular Weight
358.154
Exact Mass
358.134
No. of atoms
45
No. of bonds
47
Polar Surface Area
143.73
LOGP Value
-0.70 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
Canonical SMILES
[NH3+]Cc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(c2O[B]1(O)O)C(=O)O
InChI String
InChI=1S/C17H18BN2O6/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)26-18(14,24)25/h1-7,14,24-25H,8-9,19H2,(H,20,21)(H,22,23)/p+1/t14-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P04190
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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