Browse entries in the PDBbind-CN Database
HEADER 2CBR_COMPLEX COMPND 2CBR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 PRO ASN PHE ALA GLY THR TRP LYS MET ARG SER SER GLU SEQRES 2 A 136 ASN PHE ASP GLU LEU LEU LYS ALA LEU GLY VAL ASN ALA SEQRES 3 A 136 MET LEU ARG LYS VAL ALA VAL ALA ALA ALA SER LYS PRO SEQRES 4 A 136 HIS VAL GLU ILE ARG GLN ASP GLY ASP GLN PHE TYR ILE SEQRES 5 A 136 LYS THR SER THR THR VAL ARG THR THR GLU ILE ASN PHE SEQRES 6 A 136 LYS VAL GLY GLU GLY PHE GLU GLU GLU THR VAL ASP GLY SEQRES 7 A 136 ARG LYS CYS ARG SER LEU PRO THR TRP GLU ASN GLU ASN SEQRES 8 A 136 LYS ILE HIS CYS THR GLN THR LEU LEU GLU GLY ASP GLY SEQRES 9 A 136 PRO LYS THR TYR TRP THR ARG GLU LEU ALA ASN ASP GLU SEQRES 10 A 136 LEU ILE LEU THR PHE GLY ALA ASP ASP VAL VAL CYS THR SEQRES 11 A 136 ARG ILE TYR VAL ARG GLU HET A A 80 50 ATOM 1 N PRO A 1 19.988 60.122 25.669 1.00 66.74 N ATOM 2 CA PRO A 1 19.198 61.326 25.326 1.00 66.74 C ATOM 3 C PRO A 1 18.793 61.360 23.853 1.00 66.74 C ATOM 4 O PRO A 1 19.541 60.921 22.980 1.00 66.74 O ATOM 5 CB PRO A 1 20.077 62.517 25.688 1.00101.16 C ATOM 6 CG PRO A 1 21.483 61.889 25.546 1.00101.16 C ATOM 7 CD PRO A 1 21.264 60.553 26.261 1.00101.16 C ATOM 8 HA PRO A 1 18.257 61.337 25.876 1.00 0.00 H ATOM 9 HD3 PRO A 1 22.065 59.847 26.044 1.00 0.00 H ATOM 10 HD2 PRO A 1 21.181 60.685 27.340 1.00 0.00 H ATOM 11 HG3 PRO A 1 22.245 62.491 26.041 1.00 0.00 H ATOM 12 HG2 PRO A 1 21.757 61.746 24.501 1.00 0.00 H ATOM 13 HB2 PRO A 1 19.935 63.346 24.995 1.00 0.00 H ATOM 14 HB3 PRO A 1 19.891 62.860 26.706 1.00 0.00 H ATOM 15 N ASN A 2 17.606 61.890 23.587 1.00 45.94 N ATOM 16 CA ASN A 2 17.093 61.972 22.229 1.00 45.94 C ATOM 17 C ASN A 2 17.168 63.387 21.650 1.00 45.94 C ATOM 18 O ASN A 2 16.435 64.276 22.073 1.00 45.94 O ATOM 19 CB ASN A 2 15.648 61.484 22.205 1.00 95.02 C ATOM 20 CG ASN A 2 15.021 61.610 20.842 1.00 95.02 C ATOM 21 OD1 ASN A 2 15.509 61.041 19.867 1.00 95.02 O ATOM 22 ND2 ASN A 2 13.930 62.364 20.761 1.00 95.02 N ATOM 23 HA ASN A 2 17.723 61.339 21.605 1.00 0.00 H ATOM 24 HB2 ASN A 2 15.627 60.436 22.504 1.00 0.00 H ATOM 25 HB3 ASN A 2 15.067 62.075 22.914 1.00 0.00 H ATOM 26 HD22 ASN A 2 13.553 62.826 21.613 1.00 0.00 H ATOM 27 HD21 ASN A 2 13.453 62.492 19.846 1.00 0.00 H ATOM 28 H ASN A 2 17.028 62.256 24.370 1.00 0.00 H ATOM 29 N PHE A 3 18.059 63.591 20.683 1.00 29.77 N ATOM 30 CA PHE A 3 18.215 64.895 20.044 1.00 29.77 C ATOM 31 C PHE A 3 17.342 64.980 18.794 1.00 29.77 C ATOM 32 O PHE A 3 17.206 66.045 18.181 1.00 29.77 O ATOM 33 CB PHE A 3 19.667 65.128 19.615 1.00 19.30 C ATOM 34 CG PHE A 3 20.644 65.222 20.748 1.00 19.30 C ATOM 35 CD1 PHE A 3 20.958 64.110 21.517 1.00 19.30 C ATOM 36 CD2 PHE A 3 21.292 66.423 21.014 1.00 19.30 C ATOM 37 CE1 PHE A 3 21.908 64.192 22.527 1.00 19.30 C ATOM 38 CE2 PHE A 3 22.241 66.511 22.022 1.00 19.30 C ATOM 39 CZ PHE A 3 22.549 65.393 22.777 1.00 19.30 C ATOM 40 HA PHE A 3 17.918 65.650 20.772 1.00 0.00 H ATOM 41 HB2 PHE A 3 19.969 64.301 18.973 1.00 0.00 H ATOM 42 HB3 PHE A 3 19.710 66.059 19.050 1.00 0.00 H ATOM 43 HD2 PHE A 3 21.051 67.307 20.423 1.00 0.00 H ATOM 44 HE2 PHE A 3 22.743 67.458 22.219 1.00 0.00 H ATOM 45 HZ PHE A 3 23.296 65.458 23.568 1.00 0.00 H ATOM 46 HE1 PHE A 3 22.149 63.311 23.122 1.00 0.00 H ATOM 47 HD1 PHE A 3 20.454 63.163 21.326 1.00 0.00 H ATOM 48 H PHE A 3 18.660 62.801 20.374 1.00 0.00 H ATOM 49 N ALA A 4 16.770 63.844 18.412 1.00 35.16 N ATOM 50 CA ALA A 4 15.935 63.768 17.223 1.00 35.16 C ATOM 51 C ALA A 4 14.679 64.623 17.275 1.00 35.16 C ATOM 52 O ALA A 4 14.071 64.821 18.332 1.00 35.16 O ATOM 53 CB ALA A 4 15.560 62.337 16.952 1.00 6.86 C ATOM 54 HA ALA A 4 16.540 64.175 16.413 1.00 0.00 H ATOM 55 HB1 ALA A 4 16.464 61.749 16.795 1.00 0.00 H ATOM 56 HB2 ALA A 4 15.010 61.939 17.805 1.00 0.00 H ATOM 57 HB3 ALA A 4 14.935 62.289 16.060 1.00 0.00 H ATOM 58 H ALA A 4 16.923 62.985 18.978 1.00 0.00 H ATOM 59 N GLY A 5 14.299 65.120 16.104 1.00 35.80 N ATOM 60 CA GLY A 5 13.122 65.950 15.993 1.00 35.80 C ATOM 61 C GLY A 5 13.400 67.180 15.163 1.00 35.80 C ATOM 62 O GLY A 5 14.414 67.274 14.471 1.00 35.80 O ATOM 63 HA3 GLY A 5 12.807 66.257 16.990 1.00 0.00 H ATOM 64 HA2 GLY A 5 12.324 65.376 15.522 1.00 0.00 H ATOM 65 H GLY A 5 14.858 64.908 15.253 1.00 0.00 H ATOM 66 N THR A 6 12.476 68.127 15.220 1.00 31.05 N ATOM 67 CA THR A 6 12.618 69.374 14.493 1.00 31.05 C ATOM 68 C THR A 6 12.704 70.503 15.533 1.00 31.05 C ATOM 69 O THR A 6 11.909 70.555 16.472 1.00 31.05 O ATOM 70 CB THR A 6 11.438 69.550 13.524 1.00 38.08 C ATOM 71 OG1 THR A 6 11.390 70.902 13.060 1.00 38.08 O ATOM 72 CG2 THR A 6 10.141 69.172 14.199 1.00 38.08 C ATOM 73 HA THR A 6 13.521 69.386 13.883 1.00 0.00 H ATOM 74 HB THR A 6 11.580 68.890 12.668 1.00 0.00 H ATOM 75 HG1 THR A 6 12.235 71.119 12.591 1.00 0.00 H ATOM 76 HG23 THR A 6 10.200 68.140 14.544 1.00 0.00 H ATOM 77 HG21 THR A 6 9.970 69.832 15.050 1.00 0.00 H ATOM 78 HG22 THR A 6 9.320 69.273 13.489 1.00 0.00 H ATOM 79 H THR A 6 11.627 67.973 15.801 1.00 0.00 H ATOM 80 N TRP A 7 13.697 71.381 15.379 1.00 27.42 N ATOM 81 CA TRP A 7 13.908 72.476 16.326 1.00 27.42 C ATOM 82 C TRP A 7 13.973 73.860 15.696 1.00 27.42 C ATOM 83 O TRP A 7 14.436 74.027 14.563 1.00 27.42 O ATOM 84 CB TRP A 7 15.220 72.291 17.093 1.00 15.47 C ATOM 85 CG TRP A 7 15.466 70.937 17.647 1.00 15.47 C ATOM 86 CD1 TRP A 7 15.812 69.812 16.950 1.00 15.47 C ATOM 87 CD2 TRP A 7 15.432 70.563 19.026 1.00 15.47 C ATOM 88 NE1 TRP A 7 15.999 68.758 17.815 1.00 15.47 N ATOM 89 CE2 TRP A 7 15.771 69.191 19.096 1.00 15.47 C ATOM 90 CE3 TRP A 7 15.147 71.254 20.214 1.00 15.47 C ATOM 91 CZ2 TRP A 7 15.833 68.496 20.305 1.00 15.47 C ATOM 92 CZ3 TRP A 7 15.210 70.563 21.420 1.00 15.47 C ATOM 93 CH2 TRP A 7 15.550 69.197 21.454 1.00 15.47 C ATOM 94 HA TRP A 7 13.033 72.430 16.975 1.00 0.00 H ATOM 95 HB2 TRP A 7 16.039 72.527 16.414 1.00 0.00 H ATOM 96 HB3 TRP A 7 15.223 72.997 17.924 1.00 0.00 H ATOM 97 HE1 TRP A 7 16.269 67.792 17.542 1.00 0.00 H ATOM 98 HD1 TRP A 7 15.923 69.758 15.867 1.00 0.00 H ATOM 99 HZ2 TRP A 7 16.096 67.439 20.337 1.00 0.00 H ATOM 100 HH2 TRP A 7 15.590 68.683 22.414 1.00 0.00 H ATOM 101 HZ3 TRP A 7 14.993 71.086 22.351 1.00 0.00 H ATOM 102 HE3 TRP A 7 14.882 72.311 20.192 1.00 0.00 H ATOM 103 H TRP A 7 14.337 71.284 14.565 1.00 0.00 H ATOM 104 N LYS A 8 13.532 74.855 16.461 1.00 23.29 N ATOM 105 CA LYS A 8 13.570 76.246 16.028 1.00 23.29 C ATOM 106 C LYS A 8 14.289 77.065 17.088 1.00 23.29 C ATOM 107 O LYS A 8 14.259 76.734 18.277 1.00 23.29 O ATOM 108 CB LYS A 8 12.154 76.796 15.798 1.00 57.33 C ATOM 109 CG LYS A 8 11.188 76.655 16.963 1.00 57.33 C ATOM 110 CD LYS A 8 9.802 77.190 16.590 1.00 57.33 C ATOM 111 CE LYS A 8 8.721 76.848 17.607 1.00 57.33 C ATOM 112 NZ LYS A 8 7.363 77.110 17.106 1.00 57.33 N ATOM 113 HA LYS A 8 14.103 76.311 15.080 1.00 0.00 H ATOM 114 HB2 LYS A 8 12.242 77.857 15.564 1.00 0.00 H ATOM 115 HB3 LYS A 8 11.726 76.271 14.944 1.00 0.00 H ATOM 116 HG2 LYS A 8 11.104 75.602 17.232 1.00 0.00 H ATOM 117 HG3 LYS A 8 11.571 77.217 17.815 1.00 0.00 H ATOM 118 HD2 LYS A 8 9.863 78.275 16.504 1.00 0.00 H ATOM 119 HD3 LYS A 8 9.516 76.766 15.627 1.00 0.00 H ATOM 120 HE2 LYS A 8 8.883 77.447 18.503 1.00 0.00 H ATOM 121 HE3 LYS A 8 8.802 75.791 17.859 1.00 0.00 H ATOM 122 HZ1 LYS A 8 7.270 78.119 16.870 1.00 0.00 H ATOM 123 HZ2 LYS A 8 7.192 76.537 16.255 1.00 0.00 H ATOM 124 HZ3 LYS A 8 6.670 76.859 17.840 1.00 0.00 H ATOM 125 H LYS A 8 13.147 74.632 17.401 1.00 0.00 H ATOM 126 N MET A 9 14.920 78.143 16.656 1.00 18.22 N ATOM 127 CA MET A 9 15.764 78.912 17.577 1.00 18.22 C ATOM 128 C MET A 9 15.009 79.888 18.474 1.00 18.22 C ATOM 129 O MET A 9 14.204 80.710 17.995 1.00 18.22 O ATOM 130 CB MET A 9 16.817 79.718 16.855 1.00 36.89 C ATOM 131 CG MET A 9 17.916 80.157 17.818 1.00 36.89 C ATOM 132 SD MET A 9 19.245 80.981 17.000 1.00 36.89 S ATOM 133 CE MET A 9 18.581 82.207 15.899 1.00 36.89 C ATOM 134 HA MET A 9 16.210 78.135 18.197 1.00 0.00 H ATOM 135 HB2 MET A 9 17.256 79.108 16.065 1.00 0.00 H ATOM 136 HB3 MET A 9 16.353 80.601 16.415 1.00 0.00 H ATOM 137 HG2 MET A 9 18.310 79.276 18.324 1.00 0.00 H ATOM 138 HG3 MET A 9 17.485 80.835 18.555 1.00 0.00 H ATOM 139 HE1 MET A 9 17.940 81.723 15.162 1.00 0.00 H ATOM 140 HE2 MET A 9 17.998 82.929 16.471 1.00 0.00 H ATOM 141 HE3 MET A 9 19.399 82.719 15.391 1.00 0.00 H ATOM 142 H MET A 9 14.818 78.445 15.666 1.00 0.00 H ATOM 143 N ARG A 10 15.362 79.734 19.752 1.00 23.76 N ATOM 144 CA ARG A 10 14.831 80.542 20.851 1.00 23.76 C ATOM 145 C ARG A 10 15.724 81.751 21.086 1.00 23.76 C ATOM 146 O ARG A 10 15.247 82.842 21.394 1.00 23.76 O ATOM 147 CB ARG A 10 14.732 79.739 22.148 1.00 51.61 C ATOM 148 CG ARG A 10 13.966 80.494 23.243 1.00 51.61 C ATOM 149 CD ARG A 10 13.548 79.603 24.412 1.00 51.61 C ATOM 150 NE ARG A 10 14.690 79.108 25.191 1.00 51.61 N ATOM 151 CZ ARG A 10 15.572 79.898 25.815 1.00 51.61 C ATOM 152 NH1 ARG A 10 15.463 81.232 25.761 1.00 51.61 N ATOM 153 NH2 ARG A 10 16.609 79.436 26.527 1.00 51.61 N ATOM 154 HA ARG A 10 13.829 80.862 20.566 1.00 0.00 H ATOM 155 HB2 ARG A 10 14.216 78.801 21.942 1.00 0.00 H ATOM 156 HB3 ARG A 10 15.739 79.527 22.507 1.00 0.00 H ATOM 157 HG2 ARG A 10 14.604 81.291 23.626 1.00 0.00 H ATOM 158 HG3 ARG A 10 13.069 80.929 22.801 1.00 0.00 H ATOM 159 HD2 ARG A 10 12.998 78.748 24.019 1.00 0.00 H ATOM 160 HD3 ARG A 10 12.899 80.178 25.073 1.00 0.00 H ATOM 161 HE ARG A 10 14.822 78.079 25.262 1.00 0.00 H ATOM 162 HH12 ARG A 10 16.157 81.831 26.252 1.00 0.00 H ATOM 163 HH11 ARG A 10 14.684 81.669 25.228 1.00 0.00 H ATOM 164 HH22 ARG A 10 17.260 80.102 26.989 1.00 0.00 H ATOM 165 HH21 ARG A 10 16.762 78.411 26.617 1.00 0.00 H ATOM 166 H ARG A 10 16.057 78.995 19.981 1.00 0.00 H ATOM 167 N SER A 11 17.029 81.561 20.951 1.00 21.93 N ATOM 168 CA SER A 11 17.936 82.678 21.124 1.00 21.93 C ATOM 169 C SER A 11 19.335 82.367 20.659 1.00 21.93 C ATOM 170 O SER A 11 19.796 81.224 20.719 1.00 21.93 O ATOM 171 CB SER A 11 17.987 83.133 22.577 1.00 22.91 C ATOM 172 OG SER A 11 18.544 82.141 23.402 1.00 22.91 O ATOM 173 HA SER A 11 17.539 83.480 20.502 1.00 0.00 H ATOM 174 HB2 SER A 11 16.975 83.351 22.917 1.00 0.00 H ATOM 175 HB3 SER A 11 18.595 84.035 22.646 1.00 0.00 H ATOM 176 HG SER A 11 19.466 81.942 23.101 1.00 0.00 H ATOM 177 H SER A 11 17.400 80.616 20.722 1.00 0.00 H ATOM 178 N SER A 12 19.998 83.415 20.185 1.00 21.61 N ATOM 179 CA SER A 12 21.361 83.335 19.695 1.00 21.61 C ATOM 180 C SER A 12 22.138 84.375 20.497 1.00 21.61 C ATOM 181 O SER A 12 21.567 85.344 20.987 1.00 21.61 O ATOM 182 CB SER A 12 21.396 83.660 18.198 1.00 14.87 C ATOM 183 OG SER A 12 22.701 83.547 17.672 1.00 14.87 O ATOM 184 HA SER A 12 21.789 82.340 19.814 1.00 0.00 H ATOM 185 HB2 SER A 12 21.041 84.680 18.049 1.00 0.00 H ATOM 186 HB3 SER A 12 20.740 82.968 17.670 1.00 0.00 H ATOM 187 HG SER A 12 22.686 83.763 16.706 1.00 0.00 H ATOM 188 H SER A 12 19.517 84.337 20.164 1.00 0.00 H ATOM 189 N GLU A 13 23.436 84.166 20.648 1.00 29.03 N ATOM 190 CA GLU A 13 24.248 85.101 21.399 1.00 29.03 C ATOM 191 C GLU A 13 25.670 85.082 20.838 1.00 29.03 C ATOM 192 O GLU A 13 26.333 84.050 20.835 1.00 29.03 O ATOM 193 CB GLU A 13 24.209 84.705 22.869 1.00 86.69 C ATOM 194 CG GLU A 13 24.709 85.750 23.823 1.00 86.69 C ATOM 195 CD GLU A 13 24.385 85.390 25.254 1.00 86.69 C ATOM 196 OE1 GLU A 13 23.180 85.214 25.544 1.00 86.69 O ATOM 197 OE2 GLU A 13 25.322 85.283 26.081 1.00 86.69 O ATOM 198 HA GLU A 13 23.867 86.118 21.311 1.00 0.00 H ATOM 199 HB2 GLU A 13 23.176 84.476 23.130 1.00 0.00 H ATOM 200 HB3 GLU A 13 24.821 83.812 22.995 1.00 0.00 H ATOM 201 HG2 GLU A 13 25.790 85.840 23.716 1.00 0.00 H ATOM 202 HG3 GLU A 13 24.240 86.704 23.582 1.00 0.00 H ATOM 203 H GLU A 13 23.876 83.324 20.224 1.00 0.00 H ATOM 204 N ASN A 14 26.111 86.231 20.331 1.00 19.76 N ATOM 205 CA ASN A 14 27.445 86.392 19.748 1.00 19.76 C ATOM 206 C ASN A 14 27.671 85.715 18.422 1.00 19.76 C ATOM 207 O ASN A 14 28.809 85.393 18.095 1.00 19.76 O ATOM 208 CB ASN A 14 28.551 85.918 20.690 1.00 34.29 C ATOM 209 CG ASN A 14 28.748 86.836 21.849 1.00 34.29 C ATOM 210 OD1 ASN A 14 28.817 88.052 21.683 1.00 34.29 O ATOM 211 ND2 ASN A 14 28.863 86.267 23.037 1.00 34.29 N ATOM 212 HA ASN A 14 27.491 87.468 19.582 1.00 0.00 H ATOM 213 HB2 ASN A 14 28.289 84.930 21.067 1.00 0.00 H ATOM 214 HB3 ASN A 14 29.484 85.856 20.130 1.00 0.00 H ATOM 215 HD22 ASN A 14 28.798 85.233 23.127 1.00 0.00 H ATOM 216 HD21 ASN A 14 29.019 86.853 23.882 1.00 0.00 H ATOM 217 H ASN A 14 25.477 87.055 20.350 1.00 0.00 H ATOM 218 N PHE A 15 26.618 85.495 17.646 1.00 27.61 N ATOM 219 CA PHE A 15 26.834 84.860 16.359 1.00 27.61 C ATOM 220 C PHE A 15 27.663 85.790 15.474 1.00 27.61 C ATOM 221 O PHE A 15 28.521 85.338 14.711 1.00 27.61 O ATOM 222 CB PHE A 15 25.514 84.532 15.665 1.00 23.56 C ATOM 223 CG PHE A 15 25.691 83.715 14.422 1.00 23.56 C ATOM 224 CD1 PHE A 15 26.284 82.461 14.489 1.00 23.56 C ATOM 225 CD2 PHE A 15 25.301 84.204 13.182 1.00 23.56 C ATOM 226 CE1 PHE A 15 26.489 81.704 13.343 1.00 23.56 C ATOM 227 CE2 PHE A 15 25.502 83.451 12.027 1.00 23.56 C ATOM 228 CZ PHE A 15 26.097 82.197 12.109 1.00 23.56 C ATOM 229 HA PHE A 15 27.365 83.923 16.525 1.00 0.00 H ATOM 230 HB2 PHE A 15 24.885 83.975 16.360 1.00 0.00 H ATOM 231 HB3 PHE A 15 25.020 85.466 15.399 1.00 0.00 H ATOM 232 HD2 PHE A 15 24.833 85.186 13.112 1.00 0.00 H ATOM 233 HE2 PHE A 15 25.193 83.845 11.059 1.00 0.00 H ATOM 234 HZ PHE A 15 26.254 81.605 11.207 1.00 0.00 H ATOM 235 HE1 PHE A 15 26.958 80.723 13.414 1.00 0.00 H ATOM 236 HD1 PHE A 15 26.593 82.065 15.456 1.00 0.00 H ATOM 237 H PHE A 15 25.663 85.770 17.952 1.00 0.00 H ATOM 238 N ASP A 16 27.425 87.093 15.588 1.00 30.63 N ATOM 239 CA ASP A 16 28.165 88.042 14.775 1.00 30.63 C ATOM 240 C ASP A 16 29.619 88.111 15.235 1.00 30.63 C ATOM 241 O ASP A 16 30.528 88.104 14.407 1.00 30.63 O ATOM 242 CB ASP A 16 27.498 89.423 14.821 1.00 65.03 C ATOM 243 CG ASP A 16 28.149 90.425 13.873 1.00 65.03 C ATOM 244 OD1 ASP A 16 29.243 90.935 14.191 1.00 65.03 O ATOM 245 OD2 ASP A 16 27.577 90.691 12.797 1.00 65.03 O ATOM 246 HA ASP A 16 28.155 87.703 13.739 1.00 0.00 H ATOM 247 HB2 ASP A 16 26.449 89.313 14.545 1.00 0.00 H ATOM 248 HB3 ASP A 16 27.567 89.810 15.838 1.00 0.00 H ATOM 249 H ASP A 16 26.708 87.433 16.260 1.00 0.00 H ATOM 250 N GLU A 17 29.843 88.163 16.546 1.00 29.16 N ATOM 251 CA GLU A 17 31.207 88.203 17.070 1.00 29.16 C ATOM 252 C GLU A 17 31.969 86.954 16.635 1.00 29.16 C ATOM 253 O GLU A 17 33.178 86.997 16.405 1.00 29.16 O ATOM 254 CB GLU A 17 31.197 88.281 18.595 1.00 46.63 C ATOM 255 CG GLU A 17 30.543 89.533 19.130 1.00 46.63 C ATOM 256 CD GLU A 17 31.137 90.791 18.521 1.00 46.63 C ATOM 257 OE1 GLU A 17 32.375 90.963 18.598 1.00 46.63 O ATOM 258 OE2 GLU A 17 30.363 91.605 17.966 1.00 46.63 O ATOM 259 HA GLU A 17 31.699 89.091 16.673 1.00 0.00 H ATOM 260 HB2 GLU A 17 30.656 87.417 18.981 1.00 0.00 H ATOM 261 HB3 GLU A 17 32.227 88.251 18.949 1.00 0.00 H ATOM 262 HG2 GLU A 17 29.478 89.500 18.900 1.00 0.00 H ATOM 263 HG3 GLU A 17 30.679 89.567 20.211 1.00 0.00 H ATOM 264 H GLU A 17 29.039 88.175 17.205 1.00 0.00 H ATOM 265 N LEU A 18 31.253 85.838 16.529 1.00 29.00 N ATOM 266 CA LEU A 18 31.854 84.584 16.113 1.00 29.00 C ATOM 267 C LEU A 18 32.353 84.757 14.691 1.00 29.00 C ATOM 268 O LEU A 18 33.502 84.438 14.379 1.00 29.00 O ATOM 269 CB LEU A 18 30.821 83.461 16.136 1.00 13.45 C ATOM 270 CG LEU A 18 31.368 82.077 15.758 1.00 13.45 C ATOM 271 CD1 LEU A 18 32.215 81.556 16.905 1.00 13.45 C ATOM 272 CD2 LEU A 18 30.223 81.119 15.467 1.00 13.45 C ATOM 273 HA LEU A 18 32.667 84.326 16.791 1.00 0.00 H ATOM 274 HB2 LEU A 18 30.408 83.400 17.143 1.00 0.00 H ATOM 275 HB3 LEU A 18 30.027 83.716 15.434 1.00 0.00 H ATOM 276 HG LEU A 18 31.979 82.157 14.859 1.00 0.00 H ATOM 277 HD21 LEU A 18 29.596 81.025 16.353 1.00 0.00 H ATOM 278 HD22 LEU A 18 29.629 81.506 14.639 1.00 0.00 H ATOM 279 HD23 LEU A 18 30.627 80.142 15.201 1.00 0.00 H ATOM 280 HD11 LEU A 18 33.041 82.243 17.086 1.00 0.00 H ATOM 281 HD12 LEU A 18 31.601 81.479 17.802 1.00 0.00 H ATOM 282 HD13 LEU A 18 32.609 80.573 16.647 1.00 0.00 H ATOM 283 H LEU A 18 30.237 85.865 16.750 1.00 0.00 H ATOM 284 N LEU A 19 31.473 85.245 13.825 1.00 30.76 N ATOM 285 CA LEU A 19 31.838 85.464 12.429 1.00 30.76 C ATOM 286 C LEU A 19 32.978 86.483 12.308 1.00 30.76 C ATOM 287 O LEU A 19 33.765 86.418 11.367 1.00 30.76 O ATOM 288 CB LEU A 19 30.619 85.921 11.622 1.00 27.26 C ATOM 289 CG LEU A 19 29.472 84.916 11.532 1.00 27.26 C ATOM 290 CD1 LEU A 19 28.324 85.550 10.772 1.00 27.26 C ATOM 291 CD2 LEU A 19 29.942 83.643 10.841 1.00 27.26 C ATOM 292 HA LEU A 19 32.191 84.517 12.020 1.00 0.00 H ATOM 293 HB2 LEU A 19 30.233 86.830 12.083 1.00 0.00 H ATOM 294 HB3 LEU A 19 30.952 86.142 10.608 1.00 0.00 H ATOM 295 HG LEU A 19 29.135 84.648 12.533 1.00 0.00 H ATOM 296 HD21 LEU A 19 30.287 83.883 9.835 1.00 0.00 H ATOM 297 HD22 LEU A 19 30.760 83.202 11.411 1.00 0.00 H ATOM 298 HD23 LEU A 19 29.115 82.936 10.784 1.00 0.00 H ATOM 299 HD11 LEU A 19 27.991 86.444 11.299 1.00 0.00 H ATOM 300 HD12 LEU A 19 28.658 85.820 9.770 1.00 0.00 H ATOM 301 HD13 LEU A 19 27.500 84.840 10.702 1.00 0.00 H ATOM 302 H LEU A 19 30.511 85.474 14.146 1.00 0.00 H ATOM 303 N LYS A 20 33.058 87.422 13.254 1.00 36.83 N ATOM 304 CA LYS A 20 34.137 88.408 13.263 1.00 36.83 C ATOM 305 C LYS A 20 35.415 87.632 13.486 1.00 36.83 C ATOM 306 O LYS A 20 36.338 87.676 12.676 1.00 36.83 O ATOM 307 CB LYS A 20 34.020 89.393 14.426 1.00 83.46 C ATOM 308 CG LYS A 20 33.061 90.528 14.256 1.00 83.46 C ATOM 309 CD LYS A 20 33.230 91.497 15.411 1.00 83.46 C ATOM 310 CE LYS A 20 32.334 92.711 15.268 1.00 83.46 C ATOM 311 NZ LYS A 20 32.522 93.653 16.410 1.00 83.46 N ATOM 312 HA LYS A 20 34.105 88.970 12.330 1.00 0.00 H ATOM 313 HB2 LYS A 20 33.711 88.829 15.306 1.00 0.00 H ATOM 314 HB3 LYS A 20 35.008 89.819 14.598 1.00 0.00 H ATOM 315 HG2 LYS A 20 33.265 91.041 13.316 1.00 0.00 H ATOM 316 HG3 LYS A 20 32.040 90.146 14.246 1.00 0.00 H ATOM 317 HD2 LYS A 20 32.983 90.984 16.340 1.00 0.00 H ATOM 318 HD3 LYS A 20 34.268 91.827 15.445 1.00 0.00 H ATOM 319 HE2 LYS A 20 31.294 92.386 15.242 1.00 0.00 H ATOM 320 HE3 LYS A 20 32.576 93.225 14.338 1.00 0.00 H ATOM 321 HZ1 LYS A 20 32.288 93.168 17.300 1.00 0.00 H ATOM 322 HZ2 LYS A 20 33.512 93.970 16.437 1.00 0.00 H ATOM 323 HZ3 LYS A 20 31.897 94.475 16.287 1.00 0.00 H ATOM 324 H LYS A 20 32.336 87.452 14.002 1.00 0.00 H ATOM 325 N ALA A 21 35.452 86.926 14.610 1.00 42.77 N ATOM 326 CA ALA A 21 36.605 86.128 14.995 1.00 42.77 C ATOM 327 C ALA A 21 37.104 85.210 13.882 1.00 42.77 C ATOM 328 O ALA A 21 38.291 84.902 13.820 1.00 42.77 O ATOM 329 CB ALA A 21 36.268 85.315 16.231 1.00 42.33 C ATOM 330 HA ALA A 21 37.418 86.823 15.207 1.00 0.00 H ATOM 331 HB1 ALA A 21 36.003 85.988 17.046 1.00 0.00 H ATOM 332 HB2 ALA A 21 35.427 84.657 16.013 1.00 0.00 H ATOM 333 HB3 ALA A 21 37.133 84.717 16.518 1.00 0.00 H ATOM 334 H ALA A 21 34.624 86.945 15.239 1.00 0.00 H ATOM 335 N LEU A 22 36.209 84.775 13.004 1.00 36.47 N ATOM 336 CA LEU A 22 36.599 83.896 11.907 1.00 36.47 C ATOM 337 C LEU A 22 36.968 84.674 10.644 1.00 36.47 C ATOM 338 O LEU A 22 37.242 84.082 9.596 1.00 36.47 O ATOM 339 CB LEU A 22 35.470 82.911 11.598 1.00 29.56 C ATOM 340 CG LEU A 22 35.084 82.039 12.789 1.00 29.56 C ATOM 341 CD1 LEU A 22 33.956 81.109 12.394 1.00 29.56 C ATOM 342 CD2 LEU A 22 36.300 81.258 13.260 1.00 29.56 C ATOM 343 HA LEU A 22 37.487 83.352 12.228 1.00 0.00 H ATOM 344 HB2 LEU A 22 34.593 83.477 11.285 1.00 0.00 H ATOM 345 HB3 LEU A 22 35.791 82.262 10.783 1.00 0.00 H ATOM 346 HG LEU A 22 34.738 82.665 13.612 1.00 0.00 H ATOM 347 HD21 LEU A 22 36.661 80.627 12.448 1.00 0.00 H ATOM 348 HD22 LEU A 22 37.084 81.954 13.557 1.00 0.00 H ATOM 349 HD23 LEU A 22 36.023 80.635 14.111 1.00 0.00 H ATOM 350 HD11 LEU A 22 33.094 81.698 12.081 1.00 0.00 H ATOM 351 HD12 LEU A 22 34.282 80.474 11.570 1.00 0.00 H ATOM 352 HD13 LEU A 22 33.683 80.488 13.247 1.00 0.00 H ATOM 353 H LEU A 22 35.215 85.065 13.099 1.00 0.00 H ATOM 354 N GLY A 23 36.953 86.001 10.755 1.00 48.98 N ATOM 355 CA GLY A 23 37.299 86.870 9.641 1.00 48.98 C ATOM 356 C GLY A 23 36.341 86.952 8.464 1.00 48.98 C ATOM 357 O GLY A 23 36.783 87.057 7.319 1.00 48.98 O ATOM 358 HA3 GLY A 23 38.259 86.530 9.253 1.00 0.00 H ATOM 359 HA2 GLY A 23 37.407 87.879 10.040 1.00 0.00 H ATOM 360 H GLY A 23 36.686 86.428 11.665 1.00 0.00 H ATOM 361 N VAL A 24 35.038 86.921 8.718 1.00 42.45 N ATOM 362 CA VAL A 24 34.075 87.002 7.627 1.00 42.45 C ATOM 363 C VAL A 24 33.765 88.455 7.272 1.00 42.45 C ATOM 364 O VAL A 24 33.621 89.307 8.152 1.00 42.45 O ATOM 365 CB VAL A 24 32.764 86.276 7.983 1.00 23.97 C ATOM 366 CG1 VAL A 24 31.792 86.331 6.813 1.00 23.97 C ATOM 367 CG2 VAL A 24 33.068 84.840 8.346 1.00 23.97 C ATOM 368 HA VAL A 24 34.529 86.513 6.765 1.00 0.00 H ATOM 369 HB VAL A 24 32.300 86.772 8.835 1.00 0.00 H ATOM 370 HG11 VAL A 24 31.569 87.371 6.576 1.00 0.00 H ATOM 371 HG12 VAL A 24 32.242 85.848 5.946 1.00 0.00 H ATOM 372 HG13 VAL A 24 30.871 85.813 7.082 1.00 0.00 H ATOM 373 HG21 VAL A 24 33.541 84.344 7.498 1.00 0.00 H ATOM 374 HG22 VAL A 24 33.741 84.818 9.203 1.00 0.00 H ATOM 375 HG23 VAL A 24 32.140 84.326 8.598 1.00 0.00 H ATOM 376 H VAL A 24 34.703 86.839 9.699 1.00 0.00 H ATOM 377 N ASN A 25 33.674 88.722 5.971 1.00 93.03 N ATOM 378 CA ASN A 25 33.382 90.057 5.465 1.00 93.03 C ATOM 379 C ASN A 25 32.097 90.633 6.036 1.00 93.03 C ATOM 380 O ASN A 25 31.048 89.993 5.990 1.00 93.03 O ATOM 381 CB ASN A 25 33.291 90.028 3.939 1.00101.16 C ATOM 382 CG ASN A 25 32.607 91.255 3.378 1.00101.16 C ATOM 383 OD1 ASN A 25 32.964 92.384 3.709 1.00101.16 O ATOM 384 ND2 ASN A 25 31.618 91.038 2.520 1.00101.16 N ATOM 385 HA ASN A 25 34.200 90.703 5.784 1.00 0.00 H ATOM 386 HB2 ASN A 25 34.299 89.971 3.529 1.00 0.00 H ATOM 387 HB3 ASN A 25 32.727 89.145 3.638 1.00 0.00 H ATOM 388 HD22 ASN A 25 31.351 90.065 2.270 1.00 0.00 H ATOM 389 HD21 ASN A 25 31.110 91.841 2.098 1.00 0.00 H ATOM 390 H ASN A 25 33.817 87.949 5.290 1.00 0.00 H ATOM 391 N ALA A 26 32.189 91.852 6.563 1.00 55.46 N ATOM 392 CA ALA A 26 31.042 92.537 7.148 1.00 55.46 C ATOM 393 C ALA A 26 29.762 92.395 6.315 1.00 55.46 C ATOM 394 O ALA A 26 28.666 92.291 6.874 1.00 55.46 O ATOM 395 CB ALA A 26 31.370 94.013 7.360 1.00 19.19 C ATOM 396 HA ALA A 26 30.844 92.056 8.106 1.00 0.00 H ATOM 397 HB1 ALA A 26 32.223 94.101 8.032 1.00 0.00 H ATOM 398 HB2 ALA A 26 31.612 94.471 6.401 1.00 0.00 H ATOM 399 HB3 ALA A 26 30.508 94.516 7.797 1.00 0.00 H ATOM 400 H ALA A 26 33.111 92.333 6.557 1.00 0.00 H ATOM 401 N MET A 27 29.883 92.392 4.988 1.00 50.57 N ATOM 402 CA MET A 27 28.690 92.246 4.161 1.00 50.57 C ATOM 403 C MET A 27 28.172 90.821 4.151 1.00 50.57 C ATOM 404 O MET A 27 26.971 90.591 3.976 1.00 50.57 O ATOM 405 CB MET A 27 28.932 92.713 2.728 1.00100.96 C ATOM 406 CG MET A 27 28.940 94.215 2.587 1.00100.96 C ATOM 407 SD MET A 27 28.782 94.704 0.878 1.00100.96 S ATOM 408 CE MET A 27 30.231 93.933 0.164 1.00100.96 C ATOM 409 HA MET A 27 27.931 92.884 4.614 1.00 0.00 H ATOM 410 HB2 MET A 27 29.896 92.328 2.396 1.00 0.00 H ATOM 411 HB3 MET A 27 28.143 92.309 2.094 1.00 0.00 H ATOM 412 HG2 MET A 27 29.878 94.605 2.983 1.00 0.00 H ATOM 413 HG3 MET A 27 28.107 94.630 3.154 1.00 0.00 H ATOM 414 HE1 MET A 27 31.125 94.326 0.648 1.00 0.00 H ATOM 415 HE2 MET A 27 30.179 92.855 0.314 1.00 0.00 H ATOM 416 HE3 MET A 27 30.268 94.151 -0.903 1.00 0.00 H ATOM 417 H MET A 27 30.819 92.493 4.546 1.00 0.00 H ATOM 418 N LEU A 28 29.075 89.861 4.327 1.00 41.17 N ATOM 419 CA LEU A 28 28.668 88.465 4.375 1.00 41.17 C ATOM 420 C LEU A 28 27.992 88.208 5.722 1.00 41.17 C ATOM 421 O LEU A 28 26.953 87.548 5.791 1.00 41.17 O ATOM 422 CB LEU A 28 29.877 87.547 4.186 1.00 43.09 C ATOM 423 CG LEU A 28 30.441 87.480 2.765 1.00 43.09 C ATOM 424 CD1 LEU A 28 31.670 86.591 2.760 1.00 43.09 C ATOM 425 CD2 LEU A 28 29.376 86.941 1.809 1.00 43.09 C ATOM 426 HA LEU A 28 27.968 88.252 3.567 1.00 0.00 H ATOM 427 HB2 LEU A 28 30.671 87.897 4.846 1.00 0.00 H ATOM 428 HB3 LEU A 28 29.582 86.539 4.478 1.00 0.00 H ATOM 429 HG LEU A 28 30.725 88.478 2.430 1.00 0.00 H ATOM 430 HD21 LEU A 28 29.077 85.942 2.126 1.00 0.00 H ATOM 431 HD22 LEU A 28 28.509 87.602 1.822 1.00 0.00 H ATOM 432 HD23 LEU A 28 29.785 86.896 0.800 1.00 0.00 H ATOM 433 HD11 LEU A 28 32.420 87.006 3.434 1.00 0.00 H ATOM 434 HD12 LEU A 28 31.394 85.590 3.093 1.00 0.00 H ATOM 435 HD13 LEU A 28 32.076 86.540 1.750 1.00 0.00 H ATOM 436 H LEU A 28 30.079 90.110 4.431 1.00 0.00 H ATOM 437 N ARG A 29 28.584 88.750 6.786 1.00 38.38 N ATOM 438 CA ARG A 29 28.032 88.618 8.130 1.00 38.38 C ATOM 439 C ARG A 29 26.609 89.169 8.152 1.00 38.38 C ATOM 440 O ARG A 29 25.712 88.586 8.764 1.00 38.38 O ATOM 441 CB ARG A 29 28.887 89.381 9.143 1.00 46.69 C ATOM 442 CG ARG A 29 30.268 88.801 9.357 1.00 46.69 C ATOM 443 CD ARG A 29 30.934 89.503 10.508 1.00 46.69 C ATOM 444 NE ARG A 29 31.261 90.880 10.179 1.00 46.69 N ATOM 445 CZ ARG A 29 31.475 91.822 11.088 1.00 46.69 C ATOM 446 NH1 ARG A 29 31.391 91.521 12.371 1.00 46.69 N ATOM 447 NH2 ARG A 29 31.783 93.056 10.723 1.00 46.69 N ATOM 448 HA ARG A 29 28.027 87.562 8.402 1.00 0.00 H ATOM 449 HB2 ARG A 29 28.998 90.407 8.792 1.00 0.00 H ATOM 450 HB3 ARG A 29 28.365 89.381 10.100 1.00 0.00 H ATOM 451 HG2 ARG A 29 30.185 87.737 9.579 1.00 0.00 H ATOM 452 HG3 ARG A 29 30.863 88.937 8.454 1.00 0.00 H ATOM 453 HD2 ARG A 29 31.852 88.973 10.763 1.00 0.00 H ATOM 454 HD3 ARG A 29 30.261 89.494 11.365 1.00 0.00 H ATOM 455 HE ARG A 29 31.331 91.142 9.175 1.00 0.00 H ATOM 456 HH12 ARG A 29 31.558 92.255 13.089 1.00 0.00 H ATOM 457 HH11 ARG A 29 31.158 90.550 12.663 1.00 0.00 H ATOM 458 HH22 ARG A 29 31.948 93.786 11.445 1.00 0.00 H ATOM 459 HH21 ARG A 29 31.860 93.296 9.714 1.00 0.00 H ATOM 460 H ARG A 29 29.467 89.284 6.654 1.00 0.00 H ATOM 461 N LYS A 30 26.413 90.300 7.480 1.00 37.49 N ATOM 462 CA LYS A 30 25.106 90.937 7.396 1.00 37.49 C ATOM 463 C LYS A 30 24.108 89.910 6.847 1.00 37.49 C ATOM 464 O LYS A 30 23.008 89.751 7.380 1.00 37.49 O ATOM 465 CB LYS A 30 25.192 92.158 6.474 1.00 83.12 C ATOM 466 CG LYS A 30 23.931 93.000 6.389 1.00 83.12 C ATOM 467 CD LYS A 30 24.147 94.195 5.466 1.00 83.12 C ATOM 468 CE LYS A 30 22.900 95.065 5.347 1.00 83.12 C ATOM 469 NZ LYS A 30 23.104 96.220 4.419 1.00 83.12 N ATOM 470 HA LYS A 30 24.776 91.275 8.378 1.00 0.00 H ATOM 471 HB2 LYS A 30 25.999 92.796 6.835 1.00 0.00 H ATOM 472 HB3 LYS A 30 25.430 91.806 5.470 1.00 0.00 H ATOM 473 HG2 LYS A 30 23.117 92.389 6.000 1.00 0.00 H ATOM 474 HG3 LYS A 30 23.671 93.358 7.385 1.00 0.00 H ATOM 475 HD2 LYS A 30 24.962 94.801 5.861 1.00 0.00 H ATOM 476 HD3 LYS A 30 24.416 93.829 4.475 1.00 0.00 H ATOM 477 HE2 LYS A 30 22.644 95.449 6.335 1.00 0.00 H ATOM 478 HE3 LYS A 30 22.079 94.453 4.972 1.00 0.00 H ATOM 479 HZ1 LYS A 30 23.881 96.814 4.773 1.00 0.00 H ATOM 480 HZ2 LYS A 30 23.342 95.864 3.471 1.00 0.00 H ATOM 481 HZ3 LYS A 30 22.230 96.782 4.370 1.00 0.00 H ATOM 482 H LYS A 30 27.220 90.745 6.998 1.00 0.00 H ATOM 483 N VAL A 31 24.511 89.197 5.797 1.00 33.96 N ATOM 484 CA VAL A 31 23.665 88.178 5.168 1.00 33.96 C ATOM 485 C VAL A 31 23.489 86.971 6.092 1.00 33.96 C ATOM 486 O VAL A 31 22.370 86.508 6.333 1.00 33.96 O ATOM 487 CB VAL A 31 24.291 87.684 3.846 1.00 36.11 C ATOM 488 CG1 VAL A 31 23.328 86.763 3.119 1.00 36.11 C ATOM 489 CG2 VAL A 31 24.663 88.859 2.982 1.00 36.11 C ATOM 490 HA VAL A 31 22.697 88.640 4.971 1.00 0.00 H ATOM 491 HB VAL A 31 25.196 87.120 4.071 1.00 0.00 H ATOM 492 HG11 VAL A 31 23.103 85.903 3.750 1.00 0.00 H ATOM 493 HG12 VAL A 31 22.408 87.303 2.898 1.00 0.00 H ATOM 494 HG13 VAL A 31 23.784 86.423 2.189 1.00 0.00 H ATOM 495 HG21 VAL A 31 23.770 89.443 2.760 1.00 0.00 H ATOM 496 HG22 VAL A 31 25.384 89.483 3.510 1.00 0.00 H ATOM 497 HG23 VAL A 31 25.104 88.500 2.052 1.00 0.00 H ATOM 498 H VAL A 31 25.460 89.369 5.409 1.00 0.00 H ATOM 499 N ALA A 32 24.612 86.468 6.601 1.00 29.22 N ATOM 500 CA ALA A 32 24.621 85.313 7.496 1.00 29.22 C ATOM 501 C ALA A 32 23.771 85.545 8.742 1.00 29.22 C ATOM 502 O ALA A 32 22.847 84.779 9.030 1.00 29.22 O ATOM 503 CB ALA A 32 26.053 84.985 7.894 1.00 23.12 C ATOM 504 HA ALA A 32 24.184 84.472 6.958 1.00 0.00 H ATOM 505 HB1 ALA A 32 26.634 84.756 7.000 1.00 0.00 H ATOM 506 HB2 ALA A 32 26.492 85.842 8.404 1.00 0.00 H ATOM 507 HB3 ALA A 32 26.055 84.123 8.561 1.00 0.00 H ATOM 508 H ALA A 32 25.518 86.914 6.352 1.00 0.00 H ATOM 509 N VAL A 33 24.086 86.602 9.482 1.00 30.14 N ATOM 510 CA VAL A 33 23.340 86.919 10.689 1.00 30.14 C ATOM 511 C VAL A 33 21.855 86.953 10.398 1.00 30.14 C ATOM 512 O VAL A 33 21.042 86.468 11.185 1.00 30.14 O ATOM 513 CB VAL A 33 23.747 88.281 11.266 1.00 10.95 C ATOM 514 CG1 VAL A 33 22.873 88.604 12.467 1.00 10.95 C ATOM 515 CG2 VAL A 33 25.222 88.262 11.670 1.00 10.95 C ATOM 516 HA VAL A 33 23.568 86.140 11.416 1.00 0.00 H ATOM 517 HB VAL A 33 23.608 89.051 10.507 1.00 0.00 H ATOM 518 HG11 VAL A 33 21.829 88.638 12.156 1.00 0.00 H ATOM 519 HG12 VAL A 33 23.003 87.833 13.227 1.00 0.00 H ATOM 520 HG13 VAL A 33 23.163 89.572 12.876 1.00 0.00 H ATOM 521 HG21 VAL A 33 25.381 87.492 12.425 1.00 0.00 H ATOM 522 HG22 VAL A 33 25.834 88.047 10.794 1.00 0.00 H ATOM 523 HG23 VAL A 33 25.498 89.234 12.078 1.00 0.00 H ATOM 524 H VAL A 33 24.878 87.212 9.194 1.00 0.00 H ATOM 525 N ALA A 34 21.511 87.535 9.258 1.00 24.93 N ATOM 526 CA ALA A 34 20.121 87.636 8.840 1.00 24.93 C ATOM 527 C ALA A 34 19.524 86.252 8.668 1.00 24.93 C ATOM 528 O ALA A 34 18.508 85.924 9.281 1.00 24.93 O ATOM 529 CB ALA A 34 20.024 88.405 7.533 1.00 38.59 C ATOM 530 HA ALA A 34 19.563 88.169 9.609 1.00 0.00 H ATOM 531 HB1 ALA A 34 20.431 89.407 7.671 1.00 0.00 H ATOM 532 HB2 ALA A 34 20.593 87.884 6.763 1.00 0.00 H ATOM 533 HB3 ALA A 34 18.979 88.474 7.230 1.00 0.00 H ATOM 534 H ALA A 34 22.254 87.930 8.646 1.00 0.00 H ATOM 535 N ALA A 35 20.163 85.437 7.835 1.00 31.22 N ATOM 536 CA ALA A 35 19.671 84.089 7.579 1.00 31.22 C ATOM 537 C ALA A 35 19.624 83.247 8.844 1.00 31.22 C ATOM 538 O ALA A 35 18.648 82.533 9.088 1.00 31.22 O ATOM 539 CB ALA A 35 20.542 83.407 6.538 1.00 33.39 C ATOM 540 HA ALA A 35 18.651 84.179 7.205 1.00 0.00 H ATOM 541 HB1 ALA A 35 20.516 83.981 5.612 1.00 0.00 H ATOM 542 HB2 ALA A 35 21.567 83.352 6.904 1.00 0.00 H ATOM 543 HB3 ALA A 35 20.166 82.401 6.354 1.00 0.00 H ATOM 544 H ALA A 35 21.027 85.766 7.359 1.00 0.00 H ATOM 545 N ALA A 36 20.678 83.346 9.650 1.00 33.22 N ATOM 546 CA ALA A 36 20.785 82.570 10.879 1.00 33.22 C ATOM 547 C ALA A 36 19.706 82.864 11.920 1.00 33.22 C ATOM 548 O ALA A 36 19.527 82.088 12.850 1.00 33.22 O ATOM 549 CB ALA A 36 22.176 82.756 11.486 1.00 24.10 C ATOM 550 HA ALA A 36 20.625 81.531 10.591 1.00 0.00 H ATOM 551 HB1 ALA A 36 22.929 82.415 10.776 1.00 0.00 H ATOM 552 HB2 ALA A 36 22.336 83.811 11.709 1.00 0.00 H ATOM 553 HB3 ALA A 36 22.251 82.174 12.405 1.00 0.00 H ATOM 554 H ALA A 36 21.448 83.997 9.395 1.00 0.00 H ATOM 555 N SER A 37 18.984 83.969 11.762 1.00 28.26 N ATOM 556 CA SER A 37 17.925 84.325 12.713 1.00 28.26 C ATOM 557 C SER A 37 16.741 83.364 12.684 1.00 28.26 C ATOM 558 O SER A 37 16.157 83.073 13.726 1.00 28.26 O ATOM 559 CB SER A 37 17.411 85.732 12.436 1.00 31.53 C ATOM 560 OG SER A 37 18.460 86.665 12.536 1.00 31.53 O ATOM 561 HA SER A 37 18.381 84.266 13.701 1.00 0.00 H ATOM 562 HB2 SER A 37 16.637 85.982 13.162 1.00 0.00 H ATOM 563 HB3 SER A 37 16.990 85.770 11.431 1.00 0.00 H ATOM 564 HG SER A 37 19.163 86.442 11.876 1.00 0.00 H ATOM 565 H SER A 37 19.173 84.592 10.951 1.00 0.00 H ATOM 566 N LYS A 38 16.376 82.897 11.490 1.00 35.32 N ATOM 567 CA LYS A 38 15.256 81.968 11.339 1.00 35.32 C ATOM 568 C LYS A 38 15.713 80.617 10.783 1.00 35.32 C ATOM 569 O LYS A 38 15.312 80.218 9.686 1.00 35.32 O ATOM 570 CB LYS A 38 14.177 82.532 10.402 1.00 81.71 C ATOM 571 CG LYS A 38 13.433 83.784 10.871 1.00 81.71 C ATOM 572 CD LYS A 38 14.252 85.059 10.716 1.00 81.71 C ATOM 573 CE LYS A 38 13.402 86.291 11.028 1.00 81.71 C ATOM 574 NZ LYS A 38 14.137 87.566 10.796 1.00 81.71 N ATOM 575 HA LYS A 38 14.841 81.831 12.337 1.00 0.00 H ATOM 576 HB2 LYS A 38 14.658 82.771 9.453 1.00 0.00 H ATOM 577 HB3 LYS A 38 13.436 81.748 10.245 1.00 0.00 H ATOM 578 HG2 LYS A 38 12.519 83.885 10.285 1.00 0.00 H ATOM 579 HG3 LYS A 38 13.177 83.662 11.923 1.00 0.00 H ATOM 580 HD2 LYS A 38 15.099 85.026 11.401 1.00 0.00 H ATOM 581 HD3 LYS A 38 14.618 85.127 9.691 1.00 0.00 H ATOM 582 HE2 LYS A 38 13.096 86.249 12.073 1.00 0.00 H ATOM 583 HE3 LYS A 38 12.518 86.276 10.391 1.00 0.00 H ATOM 584 HZ1 LYS A 38 14.979 87.595 11.405 1.00 0.00 H ATOM 585 HZ2 LYS A 38 14.427 87.621 9.799 1.00 0.00 H ATOM 586 HZ3 LYS A 38 13.516 88.369 11.022 1.00 0.00 H ATOM 587 H LYS A 38 16.900 83.201 10.645 1.00 0.00 H ATOM 588 N PRO A 39 16.566 79.900 11.523 1.00 31.24 N ATOM 589 CA PRO A 39 17.036 78.599 11.039 1.00 31.24 C ATOM 590 C PRO A 39 16.067 77.470 11.388 1.00 31.24 C ATOM 591 O PRO A 39 15.398 77.515 12.422 1.00 31.24 O ATOM 592 CB PRO A 39 18.353 78.447 11.775 1.00 25.87 C ATOM 593 CG PRO A 39 17.940 78.918 13.155 1.00 25.87 C ATOM 594 CD PRO A 39 17.227 80.232 12.800 1.00 25.87 C ATOM 595 HA PRO A 39 17.126 78.548 9.954 1.00 0.00 H ATOM 596 HD3 PRO A 39 16.497 80.504 13.563 1.00 0.00 H ATOM 597 HD2 PRO A 39 17.940 81.047 12.675 1.00 0.00 H ATOM 598 HG3 PRO A 39 18.804 79.089 13.797 1.00 0.00 H ATOM 599 HG2 PRO A 39 17.265 78.211 13.637 1.00 0.00 H ATOM 600 HB2 PRO A 39 18.693 77.412 11.786 1.00 0.00 H ATOM 601 HB3 PRO A 39 19.131 79.080 11.347 1.00 0.00 H ATOM 602 N HIS A 40 15.982 76.468 10.518 1.00 21.82 N ATOM 603 CA HIS A 40 15.142 75.307 10.782 1.00 21.82 C ATOM 604 C HIS A 40 16.097 74.124 10.991 1.00 21.82 C ATOM 605 O HIS A 40 16.989 73.881 10.174 1.00 21.82 O ATOM 606 CB HIS A 40 14.223 74.993 9.609 1.00 55.95 C ATOM 607 CG HIS A 40 13.259 73.893 9.901 1.00 55.95 C ATOM 608 ND1 HIS A 40 12.824 72.999 8.947 1.00 55.95 N ATOM 609 CD2 HIS A 40 12.657 73.524 11.062 1.00 55.95 C ATOM 610 CE1 HIS A 40 12.001 72.127 9.505 1.00 55.95 C ATOM 611 NE2 HIS A 40 11.883 72.424 10.785 1.00 55.95 N ATOM 612 HA HIS A 40 14.509 75.499 11.649 1.00 0.00 H ATOM 613 HB2 HIS A 40 13.659 75.892 9.359 1.00 0.00 H ATOM 614 HB3 HIS A 40 14.836 74.701 8.756 1.00 0.00 H ATOM 615 HD2 HIS A 40 12.768 74.010 12.031 1.00 0.00 H ATOM 616 HE1 HIS A 40 11.504 71.302 8.994 1.00 0.00 H ATOM 617 H HIS A 40 16.525 76.514 9.632 1.00 0.00 H ATOM 618 N VAL A 41 15.922 73.383 12.075 1.00 20.46 N ATOM 619 CA VAL A 41 16.824 72.273 12.329 1.00 20.46 C ATOM 620 C VAL A 41 16.154 70.919 12.437 1.00 20.46 C ATOM 621 O VAL A 41 15.238 70.727 13.236 1.00 20.46 O ATOM 622 CB VAL A 41 17.659 72.519 13.614 1.00 21.43 C ATOM 623 CG1 VAL A 41 18.548 71.315 13.894 1.00 21.43 C ATOM 624 CG2 VAL A 41 18.522 73.773 13.438 1.00 21.43 C ATOM 625 HA VAL A 41 17.464 72.238 11.447 1.00 0.00 H ATOM 626 HB VAL A 41 16.983 72.664 14.456 1.00 0.00 H ATOM 627 HG11 VAL A 41 17.926 70.430 14.033 1.00 0.00 H ATOM 628 HG12 VAL A 41 19.222 71.159 13.052 1.00 0.00 H ATOM 629 HG13 VAL A 41 19.130 71.497 14.797 1.00 0.00 H ATOM 630 HG21 VAL A 41 19.194 73.634 12.591 1.00 0.00 H ATOM 631 HG22 VAL A 41 17.878 74.633 13.255 1.00 0.00 H ATOM 632 HG23 VAL A 41 19.106 73.941 14.343 1.00 0.00 H ATOM 633 H VAL A 41 15.148 73.594 12.737 1.00 0.00 H ATOM 634 N GLU A 42 16.631 69.979 11.629 1.00 24.39 N ATOM 635 CA GLU A 42 16.105 68.622 11.634 1.00 24.39 C ATOM 636 C GLU A 42 17.191 67.674 12.148 1.00 24.39 C ATOM 637 O GLU A 42 18.328 67.687 11.669 1.00 24.39 O ATOM 638 CB GLU A 42 15.695 68.207 10.221 1.00 92.59 C ATOM 639 CG GLU A 42 15.085 66.815 10.130 1.00 92.59 C ATOM 640 CD GLU A 42 14.885 66.360 8.694 1.00 92.59 C ATOM 641 OE1 GLU A 42 14.221 67.088 7.927 1.00 92.59 O ATOM 642 OE2 GLU A 42 15.387 65.273 8.332 1.00 92.59 O ATOM 643 HA GLU A 42 15.228 68.577 12.280 1.00 0.00 H ATOM 644 HB2 GLU A 42 14.963 68.926 9.852 1.00 0.00 H ATOM 645 HB3 GLU A 42 16.581 68.234 9.586 1.00 0.00 H ATOM 646 HG2 GLU A 42 15.747 66.109 10.632 1.00 0.00 H ATOM 647 HG3 GLU A 42 14.118 66.823 10.632 1.00 0.00 H ATOM 648 H GLU A 42 17.402 70.219 10.974 1.00 0.00 H ATOM 649 N ILE A 43 16.842 66.864 13.139 1.00 22.44 N ATOM 650 CA ILE A 43 17.785 65.905 13.685 1.00 22.44 C ATOM 651 C ILE A 43 17.201 64.496 13.758 1.00 22.44 C ATOM 652 O ILE A 43 16.165 64.269 14.388 1.00 22.44 O ATOM 653 CB ILE A 43 18.258 66.285 15.115 1.00 9.95 C ATOM 654 CG1 ILE A 43 18.968 67.641 15.103 1.00 9.95 C ATOM 655 CG2 ILE A 43 19.201 65.194 15.647 1.00 9.95 C ATOM 656 CD1 ILE A 43 19.518 68.071 16.473 1.00 9.95 C ATOM 657 HA ILE A 43 18.630 65.925 12.997 1.00 0.00 H ATOM 658 HB ILE A 43 17.390 66.362 15.769 1.00 0.00 H ATOM 659 HG12 ILE A 43 19.800 67.586 14.401 1.00 0.00 H ATOM 660 HG13 ILE A 43 18.259 68.397 14.766 1.00 0.00 H ATOM 661 HD11 ILE A 43 18.697 68.143 17.186 1.00 0.00 H ATOM 662 HD12 ILE A 43 20.240 67.332 16.821 1.00 0.00 H ATOM 663 HD13 ILE A 43 20.006 69.041 16.379 1.00 0.00 H ATOM 664 HG21 ILE A 43 18.671 64.242 15.679 1.00 0.00 H ATOM 665 HG22 ILE A 43 20.065 65.109 14.988 1.00 0.00 H ATOM 666 HG23 ILE A 43 19.533 65.460 16.650 1.00 0.00 H ATOM 667 H ILE A 43 15.880 66.917 13.530 1.00 0.00 H ATOM 668 N ARG A 44 17.863 63.555 13.094 1.00 37.19 N ATOM 669 CA ARG A 44 17.446 62.160 13.138 1.00 37.19 C ATOM 670 C ARG A 44 18.581 61.473 13.877 1.00 37.19 C ATOM 671 O ARG A 44 19.748 61.691 13.567 1.00 37.19 O ATOM 672 CB ARG A 44 17.282 61.575 11.730 1.00 61.24 C ATOM 673 CG ARG A 44 16.245 62.294 10.900 1.00 61.24 C ATOM 674 CD ARG A 44 14.903 62.322 11.611 1.00 61.24 C ATOM 675 NE ARG A 44 14.025 63.339 11.042 1.00 61.24 N ATOM 676 CZ ARG A 44 12.862 63.704 11.570 1.00 61.24 C ATOM 677 NH1 ARG A 44 12.422 63.130 12.684 1.00 61.24 N ATOM 678 NH2 ARG A 44 12.147 64.662 10.995 1.00 61.24 N ATOM 679 HA ARG A 44 16.477 62.031 13.621 1.00 0.00 H ATOM 680 HB2 ARG A 44 18.241 61.637 11.216 1.00 0.00 H ATOM 681 HB3 ARG A 44 16.988 60.530 11.822 1.00 0.00 H ATOM 682 HG2 ARG A 44 16.576 63.317 10.723 1.00 0.00 H ATOM 683 HG3 ARG A 44 16.133 61.780 9.946 1.00 0.00 H ATOM 684 HD2 ARG A 44 15.064 62.541 12.667 1.00 0.00 H ATOM 685 HD3 ARG A 44 14.428 61.346 11.512 1.00 0.00 H ATOM 686 HE ARG A 44 14.330 63.809 10.166 1.00 0.00 H ATOM 687 HH12 ARG A 44 11.511 63.419 13.093 1.00 0.00 H ATOM 688 HH11 ARG A 44 12.989 62.391 13.147 1.00 0.00 H ATOM 689 HH22 ARG A 44 11.236 64.949 11.407 1.00 0.00 H ATOM 690 HH21 ARG A 44 12.497 65.126 10.133 1.00 0.00 H ATOM 691 H ARG A 44 18.696 63.820 12.531 1.00 0.00 H ATOM 692 N GLN A 45 18.237 60.672 14.874 1.00 40.54 N ATOM 693 CA GLN A 45 19.234 59.980 15.667 1.00 40.54 C ATOM 694 C GLN A 45 18.928 58.497 15.845 1.00 40.54 C ATOM 695 O GLN A 45 17.770 58.075 15.851 1.00 40.54 O ATOM 696 CB GLN A 45 19.361 60.661 17.032 1.00 31.48 C ATOM 697 CG GLN A 45 20.045 59.830 18.101 1.00 31.48 C ATOM 698 CD GLN A 45 20.111 60.554 19.434 1.00 31.48 C ATOM 699 OE1 GLN A 45 19.179 61.269 19.803 1.00 31.48 O ATOM 700 NE2 GLN A 45 21.197 60.351 20.178 1.00 31.48 N ATOM 701 HA GLN A 45 20.178 60.039 15.126 1.00 0.00 H ATOM 702 HB2 GLN A 45 19.932 61.580 16.900 1.00 0.00 H ATOM 703 HB3 GLN A 45 18.358 60.905 17.383 1.00 0.00 H ATOM 704 HG2 GLN A 45 19.490 58.901 18.233 1.00 0.00 H ATOM 705 HG3 GLN A 45 21.060 59.603 17.774 1.00 0.00 H ATOM 706 HE22 GLN A 45 21.961 59.739 19.827 1.00 0.00 H ATOM 707 HE21 GLN A 45 21.281 60.805 21.110 1.00 0.00 H ATOM 708 H GLN A 45 17.229 60.536 15.093 1.00 0.00 H ATOM 709 N ASP A 46 19.994 57.718 15.977 1.00 31.12 N ATOM 710 CA ASP A 46 19.919 56.279 16.162 1.00 31.12 C ATOM 711 C ASP A 46 21.150 55.946 16.991 1.00 31.12 C ATOM 712 O ASP A 46 22.199 55.607 16.442 1.00 31.12 O ATOM 713 CB ASP A 46 19.998 55.571 14.807 1.00 39.50 C ATOM 714 CG ASP A 46 19.748 54.076 14.910 1.00 39.50 C ATOM 715 OD1 ASP A 46 19.816 53.394 13.866 1.00 39.50 O ATOM 716 OD2 ASP A 46 19.476 53.581 16.025 1.00 39.50 O ATOM 717 HA ASP A 46 18.990 55.964 16.638 1.00 0.00 H ATOM 718 HB2 ASP A 46 19.251 56.005 14.143 1.00 0.00 H ATOM 719 HB3 ASP A 46 20.991 55.730 14.387 1.00 0.00 H ATOM 720 H ASP A 46 20.934 58.162 15.946 1.00 0.00 H ATOM 721 N GLY A 47 21.036 56.059 18.310 1.00 31.95 N ATOM 722 CA GLY A 47 22.187 55.789 19.149 1.00 31.95 C ATOM 723 C GLY A 47 23.239 56.837 18.844 1.00 31.95 C ATOM 724 O GLY A 47 22.920 58.022 18.815 1.00 31.95 O ATOM 725 HA3 GLY A 47 22.579 54.795 18.932 1.00 0.00 H ATOM 726 HA2 GLY A 47 21.902 55.844 20.200 1.00 0.00 H ATOM 727 H GLY A 47 20.130 56.339 18.736 1.00 0.00 H ATOM 728 N ASP A 48 24.480 56.424 18.597 1.00 31.34 N ATOM 729 CA ASP A 48 25.536 57.380 18.290 1.00 31.34 C ATOM 730 C ASP A 48 25.467 57.855 16.851 1.00 31.34 C ATOM 731 O ASP A 48 26.291 58.656 16.430 1.00 31.34 O ATOM 732 CB ASP A 48 26.923 56.783 18.528 1.00 46.64 C ATOM 733 CG ASP A 48 27.132 56.327 19.953 1.00 46.64 C ATOM 734 OD1 ASP A 48 26.488 56.883 20.872 1.00 46.64 O ATOM 735 OD2 ASP A 48 27.972 55.427 20.154 1.00 46.64 O ATOM 736 HA ASP A 48 25.378 58.225 18.961 1.00 0.00 H ATOM 737 HB2 ASP A 48 27.051 55.926 17.866 1.00 0.00 H ATOM 738 HB3 ASP A 48 27.672 57.539 18.291 1.00 0.00 H ATOM 739 H ASP A 48 24.698 55.408 18.623 1.00 0.00 H ATOM 740 N GLN A 49 24.501 57.359 16.088 1.00 26.30 N ATOM 741 CA GLN A 49 24.371 57.762 14.690 1.00 26.30 C ATOM 742 C GLN A 49 23.527 59.048 14.633 1.00 26.30 C ATOM 743 O GLN A 49 22.411 59.087 15.159 1.00 26.30 O ATOM 744 CB GLN A 49 23.700 56.641 13.887 1.00 71.28 C ATOM 745 CG GLN A 49 23.701 56.833 12.378 1.00 71.28 C ATOM 746 CD GLN A 49 25.082 56.712 11.775 1.00 71.28 C ATOM 747 OE1 GLN A 49 25.746 55.685 11.925 1.00 71.28 O ATOM 748 NE2 GLN A 49 25.521 57.755 11.079 1.00 71.28 N ATOM 749 HA GLN A 49 25.353 57.950 14.256 1.00 0.00 H ATOM 750 HB2 GLN A 49 24.221 55.709 14.109 1.00 0.00 H ATOM 751 HB3 GLN A 49 22.664 56.564 14.216 1.00 0.00 H ATOM 752 HG2 GLN A 49 23.057 56.077 11.930 1.00 0.00 H ATOM 753 HG3 GLN A 49 23.307 57.824 12.152 1.00 0.00 H ATOM 754 HE22 GLN A 49 24.925 58.601 10.979 1.00 0.00 H ATOM 755 HE21 GLN A 49 26.461 57.725 10.634 1.00 0.00 H ATOM 756 H GLN A 49 23.829 56.675 16.490 1.00 0.00 H ATOM 757 N PHE A 50 24.069 60.096 14.009 1.00 25.16 N ATOM 758 CA PHE A 50 23.373 61.380 13.903 1.00 25.16 C ATOM 759 C PHE A 50 23.250 61.971 12.508 1.00 25.16 C ATOM 760 O PHE A 50 24.182 61.911 11.696 1.00 25.16 O ATOM 761 CB PHE A 50 24.047 62.466 14.753 1.00 14.02 C ATOM 762 CG PHE A 50 23.777 62.369 16.222 1.00 14.02 C ATOM 763 CD1 PHE A 50 24.479 61.479 17.022 1.00 14.02 C ATOM 764 CD2 PHE A 50 22.829 63.196 16.814 1.00 14.02 C ATOM 765 CE1 PHE A 50 24.242 61.423 18.393 1.00 14.02 C ATOM 766 CE2 PHE A 50 22.586 63.144 18.183 1.00 14.02 C ATOM 767 CZ PHE A 50 23.290 62.261 18.974 1.00 14.02 C ATOM 768 HA PHE A 50 22.375 61.117 14.252 1.00 0.00 H ATOM 769 HB2 PHE A 50 25.124 62.397 14.600 1.00 0.00 H ATOM 770 HB3 PHE A 50 23.694 63.437 14.406 1.00 0.00 H ATOM 771 HD2 PHE A 50 22.267 63.896 16.196 1.00 0.00 H ATOM 772 HE2 PHE A 50 21.840 63.801 18.630 1.00 0.00 H ATOM 773 HZ PHE A 50 23.104 62.218 20.047 1.00 0.00 H ATOM 774 HE1 PHE A 50 24.801 60.723 19.014 1.00 0.00 H ATOM 775 HD1 PHE A 50 25.222 60.819 16.574 1.00 0.00 H ATOM 776 H PHE A 50 25.014 59.998 13.585 1.00 0.00 H ATOM 777 N TYR A 51 22.088 62.568 12.259 1.00 26.77 N ATOM 778 CA TYR A 51 21.809 63.269 11.012 1.00 26.77 C ATOM 779 C TYR A 51 21.306 64.633 11.450 1.00 26.77 C ATOM 780 O TYR A 51 20.344 64.719 12.217 1.00 26.77 O ATOM 781 CB TYR A 51 20.706 62.601 10.202 1.00 28.93 C ATOM 782 CG TYR A 51 20.283 63.443 9.013 1.00 28.93 C ATOM 783 CD1 TYR A 51 21.085 63.537 7.871 1.00 28.93 C ATOM 784 CD2 TYR A 51 19.104 64.197 9.056 1.00 28.93 C ATOM 785 CE1 TYR A 51 20.722 64.366 6.797 1.00 28.93 C ATOM 786 CE2 TYR A 51 18.734 65.026 7.995 1.00 28.93 C ATOM 787 CZ TYR A 51 19.545 65.105 6.870 1.00 28.93 C ATOM 788 OH TYR A 51 19.168 65.913 5.823 1.00 28.93 O ATOM 789 HA TYR A 51 22.698 63.291 10.382 1.00 0.00 H ATOM 790 HB3 TYR A 51 19.842 62.444 10.847 1.00 0.00 H ATOM 791 HB2 TYR A 51 21.068 61.639 9.841 1.00 0.00 H ATOM 792 HD2 TYR A 51 18.462 64.136 9.935 1.00 0.00 H ATOM 793 HE2 TYR A 51 17.814 65.608 8.049 1.00 0.00 H ATOM 794 HE1 TYR A 51 21.357 64.430 5.913 1.00 0.00 H ATOM 795 HD1 TYR A 51 22.006 62.958 7.814 1.00 0.00 H ATOM 796 HH TYR A 51 19.847 65.859 5.105 1.00 0.00 H ATOM 797 H TYR A 51 21.345 62.533 12.986 1.00 0.00 H ATOM 798 N ILE A 52 21.956 65.692 10.983 1.00 11.13 N ATOM 799 CA ILE A 52 21.536 67.039 11.346 1.00 11.13 C ATOM 800 C ILE A 52 21.463 67.956 10.141 1.00 11.13 C ATOM 801 O ILE A 52 22.481 68.241 9.509 1.00 11.13 O ATOM 802 CB ILE A 52 22.494 67.704 12.362 1.00 17.67 C ATOM 803 CG1 ILE A 52 22.535 66.905 13.665 1.00 17.67 C ATOM 804 CG2 ILE A 52 22.029 69.140 12.631 1.00 17.67 C ATOM 805 CD1 ILE A 52 23.411 67.556 14.734 1.00 17.67 C ATOM 806 HA ILE A 52 20.549 66.912 11.791 1.00 0.00 H ATOM 807 HB ILE A 52 23.501 67.722 11.945 1.00 0.00 H ATOM 808 HG12 ILE A 52 21.520 66.818 14.052 1.00 0.00 H ATOM 809 HG13 ILE A 52 22.927 65.911 13.451 1.00 0.00 H ATOM 810 HD11 ILE A 52 24.432 67.640 14.363 1.00 0.00 H ATOM 811 HD12 ILE A 52 23.024 68.549 14.964 1.00 0.00 H ATOM 812 HD13 ILE A 52 23.400 66.942 15.635 1.00 0.00 H ATOM 813 HG21 ILE A 52 22.037 69.704 11.698 1.00 0.00 H ATOM 814 HG22 ILE A 52 21.018 69.123 13.039 1.00 0.00 H ATOM 815 HG23 ILE A 52 22.703 69.611 13.347 1.00 0.00 H ATOM 816 H ILE A 52 22.772 65.559 10.352 1.00 0.00 H ATOM 817 N LYS A 53 20.257 68.418 9.826 1.00 23.74 N ATOM 818 CA LYS A 53 20.071 69.327 8.702 1.00 23.74 C ATOM 819 C LYS A 53 19.726 70.698 9.254 1.00 23.74 C ATOM 820 O LYS A 53 18.802 70.852 10.058 1.00 23.74 O ATOM 821 CB LYS A 53 18.951 68.843 7.784 1.00 47.04 C ATOM 822 CG LYS A 53 18.764 69.704 6.552 1.00 47.04 C ATOM 823 CD LYS A 53 17.756 69.079 5.612 1.00 47.04 C ATOM 824 CE LYS A 53 17.673 69.841 4.299 1.00 47.04 C ATOM 825 NZ LYS A 53 16.737 69.183 3.336 1.00 47.04 N ATOM 826 HA LYS A 53 20.988 69.368 8.115 1.00 0.00 H ATOM 827 HB2 LYS A 53 19.182 67.827 7.463 1.00 0.00 H ATOM 828 HB3 LYS A 53 18.019 68.841 8.349 1.00 0.00 H ATOM 829 HG2 LYS A 53 18.409 70.689 6.854 1.00 0.00 H ATOM 830 HG3 LYS A 53 19.719 69.805 6.037 1.00 0.00 H ATOM 831 HD2 LYS A 53 18.052 68.050 5.407 1.00 0.00 H ATOM 832 HD3 LYS A 53 16.776 69.085 6.088 1.00 0.00 H ATOM 833 HE2 LYS A 53 18.666 69.885 3.852 1.00 0.00 H ATOM 834 HE3 LYS A 53 17.321 70.853 4.499 1.00 0.00 H ATOM 835 HZ1 LYS A 53 17.070 68.218 3.135 1.00 0.00 H ATOM 836 HZ2 LYS A 53 15.785 69.143 3.753 1.00 0.00 H ATOM 837 HZ3 LYS A 53 16.707 69.732 2.453 1.00 0.00 H ATOM 838 H LYS A 53 19.434 68.126 10.390 1.00 0.00 H ATOM 839 N THR A 54 20.494 71.691 8.838 1.00 19.81 N ATOM 840 CA THR A 54 20.266 73.049 9.291 1.00 19.81 C ATOM 841 C THR A 54 19.939 73.895 8.069 1.00 19.81 C ATOM 842 O THR A 54 20.770 74.057 7.163 1.00 19.81 O ATOM 843 CB THR A 54 21.519 73.589 10.011 1.00 16.30 C ATOM 844 OG1 THR A 54 21.776 72.773 11.160 1.00 16.30 O ATOM 845 CG2 THR A 54 21.321 75.033 10.449 1.00 16.30 C ATOM 846 HA THR A 54 19.440 73.083 10.001 1.00 0.00 H ATOM 847 HB THR A 54 22.363 73.557 9.322 1.00 0.00 H ATOM 848 HG1 THR A 54 21.930 71.838 10.872 1.00 0.00 H ATOM 849 HG23 THR A 54 21.126 75.653 9.574 1.00 0.00 H ATOM 850 HG21 THR A 54 20.475 75.091 11.133 1.00 0.00 H ATOM 851 HG22 THR A 54 22.221 75.386 10.952 1.00 0.00 H ATOM 852 H THR A 54 21.272 71.495 8.177 1.00 0.00 H ATOM 853 N SER A 55 18.730 74.440 8.038 1.00 49.62 N ATOM 854 CA SER A 55 18.329 75.238 6.896 1.00 49.62 C ATOM 855 C SER A 55 17.984 76.690 7.155 1.00 49.62 C ATOM 856 O SER A 55 17.388 77.044 8.172 1.00 49.62 O ATOM 857 CB SER A 55 17.149 74.572 6.194 1.00 48.30 C ATOM 858 OG SER A 55 17.531 73.313 5.677 1.00 48.30 O ATOM 859 HA SER A 55 19.226 75.273 6.278 1.00 0.00 H ATOM 860 HB2 SER A 55 16.811 75.209 5.377 1.00 0.00 H ATOM 861 HB3 SER A 55 16.336 74.436 6.907 1.00 0.00 H ATOM 862 HG SER A 55 18.268 73.434 5.027 1.00 0.00 H ATOM 863 H SER A 55 18.072 74.295 8.830 1.00 0.00 H ATOM 864 N THR A 56 18.391 77.523 6.207 1.00 45.77 N ATOM 865 CA THR A 56 18.113 78.950 6.215 1.00 45.77 C ATOM 866 C THR A 56 17.797 79.193 4.753 1.00 45.77 C ATOM 867 O THR A 56 17.849 78.262 3.943 1.00 45.77 O ATOM 868 CB THR A 56 19.330 79.811 6.581 1.00 26.26 C ATOM 869 OG1 THR A 56 20.313 79.708 5.544 1.00 26.26 O ATOM 870 CG2 THR A 56 19.923 79.374 7.909 1.00 26.26 C ATOM 871 HA THR A 56 17.343 79.208 6.942 1.00 0.00 H ATOM 872 HB THR A 56 19.010 80.848 6.680 1.00 0.00 H ATOM 873 HG1 THR A 56 20.592 78.763 5.448 1.00 0.00 H ATOM 874 HG23 THR A 56 19.166 79.457 8.689 1.00 0.00 H ATOM 875 HG21 THR A 56 20.257 78.339 7.834 1.00 0.00 H ATOM 876 HG22 THR A 56 20.771 80.013 8.155 1.00 0.00 H ATOM 877 H THR A 56 18.940 77.134 5.414 1.00 0.00 H ATOM 878 N THR A 57 17.498 80.436 4.404 1.00 49.36 N ATOM 879 CA THR A 57 17.164 80.765 3.031 1.00 49.36 C ATOM 880 C THR A 57 18.359 80.739 2.084 1.00 49.36 C ATOM 881 O THR A 57 18.254 80.281 0.952 1.00 49.36 O ATOM 882 CB THR A 57 16.537 82.167 2.950 1.00 63.36 C ATOM 883 OG1 THR A 57 15.337 82.205 3.735 1.00 63.36 O ATOM 884 CG2 THR A 57 16.197 82.523 1.511 1.00 63.36 C ATOM 885 HA THR A 57 16.463 79.992 2.716 1.00 0.00 H ATOM 886 HB THR A 57 17.259 82.888 3.333 1.00 0.00 H ATOM 887 HG1 THR A 57 14.937 83.109 3.680 1.00 0.00 H ATOM 888 HG23 THR A 57 17.104 82.496 0.907 1.00 0.00 H ATOM 889 HG21 THR A 57 15.478 81.803 1.120 1.00 0.00 H ATOM 890 HG22 THR A 57 15.766 83.524 1.478 1.00 0.00 H ATOM 891 H THR A 57 17.503 81.186 5.124 1.00 0.00 H ATOM 892 N VAL A 58 19.503 81.211 2.564 1.00 39.96 N ATOM 893 CA VAL A 58 20.707 81.306 1.743 1.00 39.96 C ATOM 894 C VAL A 58 21.715 80.163 1.834 1.00 39.96 C ATOM 895 O VAL A 58 22.665 80.116 1.046 1.00 39.96 O ATOM 896 CB VAL A 58 21.448 82.607 2.084 1.00 44.71 C ATOM 897 CG1 VAL A 58 20.517 83.795 1.934 1.00 44.71 C ATOM 898 CG2 VAL A 58 21.974 82.534 3.488 1.00 44.71 C ATOM 899 HA VAL A 58 20.323 81.266 0.724 1.00 0.00 H ATOM 900 HB VAL A 58 22.284 82.733 1.396 1.00 0.00 H ATOM 901 HG11 VAL A 58 20.159 83.847 0.906 1.00 0.00 H ATOM 902 HG12 VAL A 58 19.670 83.679 2.610 1.00 0.00 H ATOM 903 HG13 VAL A 58 21.056 84.710 2.179 1.00 0.00 H ATOM 904 HG21 VAL A 58 21.142 82.398 4.180 1.00 0.00 H ATOM 905 HG22 VAL A 58 22.661 81.692 3.574 1.00 0.00 H ATOM 906 HG23 VAL A 58 22.499 83.459 3.726 1.00 0.00 H ATOM 907 H VAL A 58 19.543 81.523 3.555 1.00 0.00 H ATOM 908 N ARG A 59 21.521 79.247 2.782 1.00 48.49 N ATOM 909 CA ARG A 59 22.472 78.144 2.965 1.00 48.49 C ATOM 910 C ARG A 59 21.895 77.026 3.826 1.00 48.49 C ATOM 911 O ARG A 59 21.284 77.284 4.859 1.00 48.49 O ATOM 912 CB ARG A 59 23.754 78.687 3.624 1.00 42.64 C ATOM 913 CG ARG A 59 24.783 77.663 4.101 1.00 42.64 C ATOM 914 CD ARG A 59 25.991 78.431 4.719 1.00 42.64 C ATOM 915 NE ARG A 59 26.966 77.577 5.411 1.00 42.64 N ATOM 916 CZ ARG A 59 27.785 76.696 4.820 1.00 42.64 C ATOM 917 NH1 ARG A 59 27.765 76.538 3.498 1.00 42.64 N ATOM 918 NH2 ARG A 59 28.608 75.948 5.554 1.00 42.64 N ATOM 919 HA ARG A 59 22.692 77.725 1.983 1.00 0.00 H ATOM 920 HB2 ARG A 59 24.247 79.334 2.898 1.00 0.00 H ATOM 921 HB3 ARG A 59 23.453 79.277 4.490 1.00 0.00 H ATOM 922 HG2 ARG A 59 24.335 77.014 4.853 1.00 0.00 H ATOM 923 HG3 ARG A 59 25.122 77.061 3.258 1.00 0.00 H ATOM 924 HD2 ARG A 59 25.604 79.156 5.435 1.00 0.00 H ATOM 925 HD3 ARG A 59 26.508 78.956 3.916 1.00 0.00 H ATOM 926 HE ARG A 59 27.026 77.663 6.446 1.00 0.00 H ATOM 927 HH12 ARG A 59 28.404 75.852 3.047 1.00 0.00 H ATOM 928 HH11 ARG A 59 27.111 77.100 2.917 1.00 0.00 H ATOM 929 HH22 ARG A 59 29.242 75.265 5.092 1.00 0.00 H ATOM 930 HH21 ARG A 59 28.616 76.047 6.589 1.00 0.00 H ATOM 931 H ARG A 59 20.687 79.314 3.399 1.00 0.00 H ATOM 932 N THR A 60 22.086 75.782 3.392 1.00 39.87 N ATOM 933 CA THR A 60 21.625 74.626 4.147 1.00 39.87 C ATOM 934 C THR A 60 22.767 73.636 4.225 1.00 39.87 C ATOM 935 O THR A 60 23.388 73.326 3.204 1.00 39.87 O ATOM 936 CB THR A 60 20.447 73.941 3.468 1.00 40.08 C ATOM 937 OG1 THR A 60 19.311 74.811 3.508 1.00 40.08 O ATOM 938 CG2 THR A 60 20.113 72.646 4.161 1.00 40.08 C ATOM 939 HA THR A 60 21.304 74.961 5.133 1.00 0.00 H ATOM 940 HB THR A 60 20.714 73.722 2.434 1.00 0.00 H ATOM 941 HG1 THR A 60 18.543 74.369 3.067 1.00 0.00 H ATOM 942 HG23 THR A 60 20.979 71.985 4.130 1.00 0.00 H ATOM 943 HG21 THR A 60 19.846 72.849 5.198 1.00 0.00 H ATOM 944 HG22 THR A 60 19.273 72.171 3.655 1.00 0.00 H ATOM 945 H THR A 60 22.578 75.632 2.488 1.00 0.00 H ATOM 946 N THR A 61 23.038 73.149 5.436 1.00 17.68 N ATOM 947 CA THR A 61 24.098 72.174 5.653 1.00 17.68 C ATOM 948 C THR A 61 23.504 70.868 6.185 1.00 17.68 C ATOM 949 O THR A 61 22.588 70.869 7.020 1.00 17.68 O ATOM 950 CB THR A 61 25.177 72.689 6.662 1.00 14.21 C ATOM 951 OG1 THR A 61 24.606 72.837 7.968 1.00 14.21 O ATOM 952 CG2 THR A 61 25.730 74.036 6.202 1.00 14.21 C ATOM 953 HA THR A 61 24.584 72.009 4.691 1.00 0.00 H ATOM 954 HB THR A 61 25.985 71.959 6.701 1.00 0.00 H ATOM 955 HG1 THR A 61 24.264 71.961 8.279 1.00 0.00 H ATOM 956 HG23 THR A 61 26.166 73.928 5.209 1.00 0.00 H ATOM 957 HG21 THR A 61 24.922 74.767 6.169 1.00 0.00 H ATOM 958 HG22 THR A 61 26.496 74.371 6.902 1.00 0.00 H ATOM 959 H THR A 61 22.477 73.474 6.249 1.00 0.00 H ATOM 960 N GLU A 62 24.017 69.756 5.672 1.00 34.99 N ATOM 961 CA GLU A 62 23.580 68.430 6.093 1.00 34.99 C ATOM 962 C GLU A 62 24.787 67.638 6.558 1.00 34.99 C ATOM 963 O GLU A 62 25.642 67.281 5.754 1.00 34.99 O ATOM 964 CB GLU A 62 22.921 67.669 4.943 1.00 51.99 C ATOM 965 CG GLU A 62 21.422 67.830 4.818 1.00 51.99 C ATOM 966 CD GLU A 62 20.886 67.127 3.589 1.00 51.99 C ATOM 967 OE1 GLU A 62 21.240 67.565 2.474 1.00 51.99 O ATOM 968 OE2 GLU A 62 20.133 66.136 3.727 1.00 51.99 O ATOM 969 HA GLU A 62 22.853 68.551 6.896 1.00 0.00 H ATOM 970 HB2 GLU A 62 23.373 68.012 4.012 1.00 0.00 H ATOM 971 HB3 GLU A 62 23.133 66.609 5.079 1.00 0.00 H ATOM 972 HG2 GLU A 62 20.946 67.408 5.703 1.00 0.00 H ATOM 973 HG3 GLU A 62 21.184 68.892 4.750 1.00 0.00 H ATOM 974 H GLU A 62 24.756 69.833 4.945 1.00 0.00 H ATOM 975 N ILE A 63 24.876 67.372 7.852 1.00 18.43 N ATOM 976 CA ILE A 63 25.994 66.592 8.333 1.00 18.43 C ATOM 977 C ILE A 63 25.492 65.268 8.851 1.00 18.43 C ATOM 978 O ILE A 63 24.347 65.136 9.286 1.00 18.43 O ATOM 979 CB ILE A 63 26.821 67.327 9.422 1.00 14.73 C ATOM 980 CG1 ILE A 63 25.949 67.688 10.624 1.00 14.73 C ATOM 981 CG2 ILE A 63 27.479 68.543 8.814 1.00 14.73 C ATOM 982 CD1 ILE A 63 26.737 68.326 11.773 1.00 14.73 C ATOM 983 HA ILE A 63 26.670 66.433 7.493 1.00 0.00 H ATOM 984 HB ILE A 63 27.602 66.663 9.793 1.00 0.00 H ATOM 985 HG12 ILE A 63 25.182 68.391 10.297 1.00 0.00 H ATOM 986 HG13 ILE A 63 25.474 66.779 10.993 1.00 0.00 H ATOM 987 HD11 ILE A 63 27.502 67.630 12.118 1.00 0.00 H ATOM 988 HD12 ILE A 63 27.210 69.243 11.422 1.00 0.00 H ATOM 989 HD13 ILE A 63 26.058 68.557 12.593 1.00 0.00 H ATOM 990 HG21 ILE A 63 28.138 68.231 8.004 1.00 0.00 H ATOM 991 HG22 ILE A 63 26.712 69.212 8.424 1.00 0.00 H ATOM 992 HG23 ILE A 63 28.060 69.060 9.578 1.00 0.00 H ATOM 993 H ILE A 63 24.152 67.719 8.513 1.00 0.00 H ATOM 994 N ASN A 64 26.369 64.280 8.774 1.00 30.58 N ATOM 995 CA ASN A 64 26.064 62.926 9.189 1.00 30.58 C ATOM 996 C ASN A 64 27.302 62.410 9.910 1.00 30.58 C ATOM 997 O ASN A 64 28.418 62.579 9.419 1.00 30.58 O ATOM 998 CB ASN A 64 25.759 62.097 7.936 1.00 64.14 C ATOM 999 CG ASN A 64 25.557 60.637 8.237 1.00 64.14 C ATOM 1000 OD1 ASN A 64 24.716 60.270 9.057 1.00 64.14 O ATOM 1001 ND2 ASN A 64 26.324 59.784 7.564 1.00 64.14 N ATOM 1002 HA ASN A 64 25.199 62.868 9.850 1.00 0.00 H ATOM 1003 HB2 ASN A 64 24.852 62.486 7.473 1.00 0.00 H ATOM 1004 HB3 ASN A 64 26.592 62.197 7.240 1.00 0.00 H ATOM 1005 HD22 ASN A 64 27.022 60.140 6.880 1.00 0.00 H ATOM 1006 HD21 ASN A 64 26.226 58.761 7.722 1.00 0.00 H ATOM 1007 H ASN A 64 27.318 64.484 8.400 1.00 0.00 H ATOM 1008 N PHE A 65 27.125 61.814 11.082 1.00 17.57 N ATOM 1009 CA PHE A 65 28.285 61.300 11.806 1.00 17.57 C ATOM 1010 C PHE A 65 27.929 60.270 12.853 1.00 17.57 C ATOM 1011 O PHE A 65 26.759 60.073 13.179 1.00 17.57 O ATOM 1012 CB PHE A 65 29.069 62.428 12.489 1.00 11.01 C ATOM 1013 CG PHE A 65 28.270 63.199 13.495 1.00 11.01 C ATOM 1014 CD1 PHE A 65 27.564 64.341 13.124 1.00 11.01 C ATOM 1015 CD2 PHE A 65 28.201 62.776 14.815 1.00 11.01 C ATOM 1016 CE1 PHE A 65 26.804 65.048 14.061 1.00 11.01 C ATOM 1017 CE2 PHE A 65 27.449 63.470 15.752 1.00 11.01 C ATOM 1018 CZ PHE A 65 26.751 64.607 15.379 1.00 11.01 C ATOM 1019 HA PHE A 65 28.900 60.819 11.045 1.00 0.00 H ATOM 1020 HB2 PHE A 65 29.929 61.991 12.996 1.00 0.00 H ATOM 1021 HB3 PHE A 65 29.414 63.120 11.721 1.00 0.00 H ATOM 1022 HD2 PHE A 65 28.747 61.883 15.121 1.00 0.00 H ATOM 1023 HE2 PHE A 65 27.407 63.120 16.783 1.00 0.00 H ATOM 1024 HZ PHE A 65 26.162 65.154 16.116 1.00 0.00 H ATOM 1025 HE1 PHE A 65 26.256 65.941 13.760 1.00 0.00 H ATOM 1026 HD1 PHE A 65 27.604 64.688 12.091 1.00 0.00 H ATOM 1027 H PHE A 65 26.170 61.714 11.481 1.00 0.00 H ATOM 1028 N LYS A 66 28.959 59.619 13.382 1.00 14.10 N ATOM 1029 CA LYS A 66 28.787 58.601 14.410 1.00 14.10 C ATOM 1030 C LYS A 66 29.688 59.080 15.551 1.00 14.10 C ATOM 1031 O LYS A 66 30.888 59.244 15.353 1.00 14.10 O ATOM 1032 CB LYS A 66 29.260 57.252 13.859 1.00 55.17 C ATOM 1033 CG LYS A 66 28.669 56.015 14.516 1.00 55.17 C ATOM 1034 CD LYS A 66 29.097 55.838 15.959 1.00 55.17 C ATOM 1035 CE LYS A 66 28.529 54.537 16.525 1.00 55.17 C ATOM 1036 NZ LYS A 66 28.970 53.360 15.720 1.00 55.17 N ATOM 1037 HA LYS A 66 27.755 58.468 14.735 1.00 0.00 H ATOM 1038 HB2 LYS A 66 29.008 57.219 12.799 1.00 0.00 H ATOM 1039 HB3 LYS A 66 30.343 57.206 13.976 1.00 0.00 H ATOM 1040 HG2 LYS A 66 27.582 56.092 14.485 1.00 0.00 H ATOM 1041 HG3 LYS A 66 28.986 55.138 13.951 1.00 0.00 H ATOM 1042 HD2 LYS A 66 30.185 55.808 16.010 1.00 0.00 H ATOM 1043 HD3 LYS A 66 28.730 56.678 16.549 1.00 0.00 H ATOM 1044 HE2 LYS A 66 27.440 54.589 16.512 1.00 0.00 H ATOM 1045 HE3 LYS A 66 28.874 54.415 17.552 1.00 0.00 H ATOM 1046 HZ1 LYS A 66 28.639 53.468 14.740 1.00 0.00 H ATOM 1047 HZ2 LYS A 66 30.008 53.302 15.732 1.00 0.00 H ATOM 1048 HZ3 LYS A 66 28.569 52.492 16.129 1.00 0.00 H ATOM 1049 H LYS A 66 29.919 59.843 13.052 1.00 0.00 H ATOM 1050 N VAL A 67 29.124 59.342 16.726 1.00 25.37 N ATOM 1051 CA VAL A 67 29.960 59.810 17.826 1.00 25.37 C ATOM 1052 C VAL A 67 31.074 58.810 18.077 1.00 25.37 C ATOM 1053 O VAL A 67 30.828 57.614 18.259 1.00 25.37 O ATOM 1054 CB VAL A 67 29.172 60.012 19.127 1.00 16.74 C ATOM 1055 CG1 VAL A 67 30.112 60.531 20.209 1.00 16.74 C ATOM 1056 CG2 VAL A 67 28.044 61.007 18.899 1.00 16.74 C ATOM 1057 HA VAL A 67 30.363 60.779 17.530 1.00 0.00 H ATOM 1058 HB VAL A 67 28.744 59.061 19.444 1.00 0.00 H ATOM 1059 HG11 VAL A 67 30.910 59.807 20.373 1.00 0.00 H ATOM 1060 HG12 VAL A 67 30.542 61.481 19.890 1.00 0.00 H ATOM 1061 HG13 VAL A 67 29.554 60.675 21.134 1.00 0.00 H ATOM 1062 HG21 VAL A 67 28.462 61.961 18.579 1.00 0.00 H ATOM 1063 HG22 VAL A 67 27.375 60.625 18.128 1.00 0.00 H ATOM 1064 HG23 VAL A 67 27.490 61.145 19.827 1.00 0.00 H ATOM 1065 H VAL A 67 28.100 59.215 16.859 1.00 0.00 H ATOM 1066 N GLY A 68 32.303 59.312 18.076 1.00 25.75 N ATOM 1067 CA GLY A 68 33.451 58.454 18.278 1.00 25.75 C ATOM 1068 C GLY A 68 34.188 58.255 16.967 1.00 25.75 C ATOM 1069 O GLY A 68 35.290 57.725 16.956 1.00 25.75 O ATOM 1070 HA3 GLY A 68 33.117 57.487 18.655 1.00 0.00 H ATOM 1071 HA2 GLY A 68 34.122 58.914 19.003 1.00 0.00 H ATOM 1072 H GLY A 68 32.442 60.332 17.929 1.00 0.00 H ATOM 1073 N GLU A 69 33.583 58.674 15.860 1.00 22.34 N ATOM 1074 CA GLU A 69 34.203 58.539 14.544 1.00 22.34 C ATOM 1075 C GLU A 69 34.298 59.876 13.836 1.00 22.34 C ATOM 1076 O GLU A 69 33.303 60.582 13.700 1.00 22.34 O ATOM 1077 CB GLU A 69 33.403 57.583 13.663 1.00 53.82 C ATOM 1078 CG GLU A 69 33.536 56.124 14.029 1.00 53.82 C ATOM 1079 CD GLU A 69 32.666 55.235 13.162 1.00 53.82 C ATOM 1080 OE1 GLU A 69 32.700 55.390 11.919 1.00 53.82 O ATOM 1081 OE2 GLU A 69 31.956 54.373 13.725 1.00 53.82 O ATOM 1082 HA GLU A 69 35.206 58.145 14.706 1.00 0.00 H ATOM 1083 HB2 GLU A 69 32.350 57.856 13.734 1.00 0.00 H ATOM 1084 HB3 GLU A 69 33.740 57.707 12.634 1.00 0.00 H ATOM 1085 HG2 GLU A 69 34.577 55.824 13.906 1.00 0.00 H ATOM 1086 HG3 GLU A 69 33.242 55.995 15.071 1.00 0.00 H ATOM 1087 H GLU A 69 32.642 59.110 15.933 1.00 0.00 H ATOM 1088 N GLY A 70 35.491 60.220 13.370 1.00 18.72 N ATOM 1089 CA GLY A 70 35.663 61.480 12.678 1.00 18.72 C ATOM 1090 C GLY A 70 34.900 61.537 11.369 1.00 18.72 C ATOM 1091 O GLY A 70 34.615 60.502 10.767 1.00 18.72 O ATOM 1092 HA3 GLY A 70 36.724 61.622 12.470 1.00 0.00 H ATOM 1093 HA2 GLY A 70 35.309 62.284 13.324 1.00 0.00 H ATOM 1094 H GLY A 70 36.303 59.584 13.502 1.00 0.00 H ATOM 1095 N PHE A 71 34.559 62.749 10.932 1.00 32.57 N ATOM 1096 CA PHE A 71 33.834 62.952 9.676 1.00 32.57 C ATOM 1097 C PHE A 71 34.212 64.306 9.091 1.00 32.57 C ATOM 1098 O PHE A 71 34.902 65.098 9.736 1.00 32.57 O ATOM 1099 CB PHE A 71 32.307 62.888 9.890 1.00 19.77 C ATOM 1100 CG PHE A 71 31.757 63.964 10.802 1.00 19.77 C ATOM 1101 CD1 PHE A 71 32.017 63.945 12.174 1.00 19.77 C ATOM 1102 CD2 PHE A 71 31.000 65.016 10.281 1.00 19.77 C ATOM 1103 CE1 PHE A 71 31.529 64.954 13.009 1.00 19.77 C ATOM 1104 CE2 PHE A 71 30.512 66.027 11.111 1.00 19.77 C ATOM 1105 CZ PHE A 71 30.778 65.996 12.475 1.00 19.77 C ATOM 1106 HA PHE A 71 34.111 62.154 8.987 1.00 0.00 H ATOM 1107 HB2 PHE A 71 31.822 62.984 8.918 1.00 0.00 H ATOM 1108 HB3 PHE A 71 32.064 61.917 10.322 1.00 0.00 H ATOM 1109 HD2 PHE A 71 30.787 65.048 9.212 1.00 0.00 H ATOM 1110 HE2 PHE A 71 29.922 66.841 10.689 1.00 0.00 H ATOM 1111 HZ PHE A 71 30.399 66.786 13.124 1.00 0.00 H ATOM 1112 HE1 PHE A 71 31.737 64.924 14.079 1.00 0.00 H ATOM 1113 HD1 PHE A 71 32.608 63.133 12.599 1.00 0.00 H ATOM 1114 H PHE A 71 34.817 63.579 11.503 1.00 0.00 H ATOM 1115 N GLU A 72 33.772 64.573 7.866 1.00 31.88 N ATOM 1116 CA GLU A 72 34.073 65.849 7.236 1.00 31.88 C ATOM 1117 C GLU A 72 32.833 66.711 7.155 1.00 31.88 C ATOM 1118 O GLU A 72 31.762 66.242 6.786 1.00 31.88 O ATOM 1119 CB GLU A 72 34.632 65.658 5.834 1.00 86.75 C ATOM 1120 CG GLU A 72 35.914 64.884 5.799 1.00 86.75 C ATOM 1121 CD GLU A 72 36.608 65.007 4.466 1.00 86.75 C ATOM 1122 OE1 GLU A 72 35.970 64.716 3.430 1.00 86.75 O ATOM 1123 OE2 GLU A 72 37.796 65.397 4.458 1.00 86.75 O ATOM 1124 HA GLU A 72 34.824 66.342 7.853 1.00 0.00 H ATOM 1125 HB2 GLU A 72 33.891 65.126 5.237 1.00 0.00 H ATOM 1126 HB3 GLU A 72 34.810 66.641 5.397 1.00 0.00 H ATOM 1127 HG2 GLU A 72 36.576 65.263 6.578 1.00 0.00 H ATOM 1128 HG3 GLU A 72 35.697 63.833 5.988 1.00 0.00 H ATOM 1129 H GLU A 72 33.208 63.865 7.354 1.00 0.00 H ATOM 1130 N GLU A 73 32.983 67.975 7.525 1.00 18.70 N ATOM 1131 CA GLU A 73 31.883 68.925 7.471 1.00 18.70 C ATOM 1132 C GLU A 73 32.526 70.279 7.182 1.00 18.70 C ATOM 1133 O GLU A 73 33.687 70.346 6.777 1.00 18.70 O ATOM 1134 CB GLU A 73 31.129 68.963 8.809 1.00 29.36 C ATOM 1135 CG GLU A 73 31.887 69.607 9.960 1.00 29.36 C ATOM 1136 CD GLU A 73 31.039 69.724 11.215 1.00 29.36 C ATOM 1137 OE1 GLU A 73 29.846 70.090 11.092 1.00 29.36 O ATOM 1138 OE2 GLU A 73 31.563 69.477 12.326 1.00 29.36 O ATOM 1139 HA GLU A 73 31.154 68.651 6.708 1.00 0.00 H ATOM 1140 HB2 GLU A 73 30.204 69.520 8.660 1.00 0.00 H ATOM 1141 HB3 GLU A 73 30.892 67.938 9.092 1.00 0.00 H ATOM 1142 HG2 GLU A 73 32.765 69.001 10.185 1.00 0.00 H ATOM 1143 HG3 GLU A 73 32.204 70.605 9.657 1.00 0.00 H ATOM 1144 H GLU A 73 33.913 68.296 7.863 1.00 0.00 H ATOM 1145 N GLU A 74 31.781 71.357 7.377 1.00 35.46 N ATOM 1146 CA GLU A 74 32.335 72.680 7.159 1.00 35.46 C ATOM 1147 C GLU A 74 32.293 73.451 8.461 1.00 35.46 C ATOM 1148 O GLU A 74 31.492 73.153 9.354 1.00 35.46 O ATOM 1149 CB GLU A 74 31.533 73.444 6.112 1.00 52.98 C ATOM 1150 CG GLU A 74 31.568 72.836 4.744 1.00 52.98 C ATOM 1151 CD GLU A 74 30.654 73.559 3.791 1.00 52.98 C ATOM 1152 OE1 GLU A 74 29.439 73.630 4.076 1.00 52.98 O ATOM 1153 OE2 GLU A 74 31.146 74.056 2.759 1.00 52.98 O ATOM 1154 HA GLU A 74 33.360 72.572 6.805 1.00 0.00 H ATOM 1155 HB2 GLU A 74 30.495 73.486 6.441 1.00 0.00 H ATOM 1156 HB3 GLU A 74 31.933 74.456 6.046 1.00 0.00 H ATOM 1157 HG2 GLU A 74 32.588 72.884 4.361 1.00 0.00 H ATOM 1158 HG3 GLU A 74 31.256 71.794 4.812 1.00 0.00 H ATOM 1159 H GLU A 74 30.794 71.254 7.688 1.00 0.00 H ATOM 1160 N THR A 75 33.172 74.439 8.569 1.00 26.96 N ATOM 1161 CA THR A 75 33.208 75.283 9.746 1.00 26.96 C ATOM 1162 C THR A 75 32.037 76.263 9.604 1.00 26.96 C ATOM 1163 O THR A 75 31.293 76.211 8.622 1.00 26.96 O ATOM 1164 CB THR A 75 34.543 76.034 9.831 1.00 27.14 C ATOM 1165 OG1 THR A 75 34.793 76.682 8.581 1.00 27.14 O ATOM 1166 CG2 THR A 75 35.684 75.071 10.146 1.00 27.14 C ATOM 1167 HA THR A 75 33.120 74.696 10.660 1.00 0.00 H ATOM 1168 HB THR A 75 34.485 76.772 10.631 1.00 0.00 H ATOM 1169 HG1 THR A 75 34.836 76.003 7.862 1.00 0.00 H ATOM 1170 HG23 THR A 75 35.490 74.579 11.099 1.00 0.00 H ATOM 1171 HG21 THR A 75 35.754 74.322 9.357 1.00 0.00 H ATOM 1172 HG22 THR A 75 36.620 75.626 10.206 1.00 0.00 H ATOM 1173 H THR A 75 33.846 74.610 7.796 1.00 0.00 H ATOM 1174 N VAL A 76 31.855 77.138 10.584 1.00 27.06 N ATOM 1175 CA VAL A 76 30.750 78.087 10.528 1.00 27.06 C ATOM 1176 C VAL A 76 30.919 79.047 9.355 1.00 27.06 C ATOM 1177 O VAL A 76 29.935 79.476 8.752 1.00 27.06 O ATOM 1178 CB VAL A 76 30.631 78.895 11.842 1.00 35.00 C ATOM 1179 CG1 VAL A 76 29.459 79.836 11.760 1.00 35.00 C ATOM 1180 CG2 VAL A 76 30.439 77.961 13.013 1.00 35.00 C ATOM 1181 HA VAL A 76 29.836 77.509 10.391 1.00 0.00 H ATOM 1182 HB VAL A 76 31.549 79.466 11.984 1.00 0.00 H ATOM 1183 HG11 VAL A 76 29.604 80.523 10.926 1.00 0.00 H ATOM 1184 HG12 VAL A 76 28.545 79.263 11.605 1.00 0.00 H ATOM 1185 HG13 VAL A 76 29.383 80.401 12.689 1.00 0.00 H ATOM 1186 HG21 VAL A 76 29.528 77.380 12.867 1.00 0.00 H ATOM 1187 HG22 VAL A 76 31.294 77.288 13.083 1.00 0.00 H ATOM 1188 HG23 VAL A 76 30.357 78.543 13.931 1.00 0.00 H ATOM 1189 H VAL A 76 32.504 77.147 11.397 1.00 0.00 H ATOM 1190 N ASP A 77 32.171 79.373 9.037 1.00 31.61 N ATOM 1191 CA ASP A 77 32.481 80.273 7.933 1.00 31.61 C ATOM 1192 C ASP A 77 32.737 79.563 6.604 1.00 31.61 C ATOM 1193 O ASP A 77 33.437 80.091 5.744 1.00 31.61 O ATOM 1194 CB ASP A 77 33.685 81.162 8.272 1.00 45.63 C ATOM 1195 CG ASP A 77 34.893 80.373 8.743 1.00 45.63 C ATOM 1196 OD1 ASP A 77 36.004 80.941 8.751 1.00 45.63 O ATOM 1197 OD2 ASP A 77 34.739 79.198 9.130 1.00 45.63 O ATOM 1198 HA ASP A 77 31.586 80.881 7.801 1.00 0.00 H ATOM 1199 HB2 ASP A 77 33.963 81.724 7.381 1.00 0.00 H ATOM 1200 HB3 ASP A 77 33.394 81.855 9.061 1.00 0.00 H ATOM 1201 H ASP A 77 32.952 78.972 9.594 1.00 0.00 H ATOM 1202 N GLY A 78 32.191 78.361 6.440 1.00 40.85 N ATOM 1203 CA GLY A 78 32.347 77.650 5.183 1.00 40.85 C ATOM 1204 C GLY A 78 33.613 76.868 4.881 1.00 40.85 C ATOM 1205 O GLY A 78 33.625 76.097 3.926 1.00 40.85 O ATOM 1206 HA3 GLY A 78 32.244 78.392 4.391 1.00 0.00 H ATOM 1207 HA2 GLY A 78 31.522 76.940 5.123 1.00 0.00 H ATOM 1208 H GLY A 78 31.650 77.928 7.216 1.00 0.00 H ATOM 1209 N ARG A 79 34.674 77.063 5.659 1.00 35.57 N ATOM 1210 CA ARG A 79 35.927 76.329 5.443 1.00 35.57 C ATOM 1211 C ARG A 79 35.681 74.823 5.642 1.00 35.57 C ATOM 1212 O ARG A 79 34.988 74.419 6.578 1.00 35.57 O ATOM 1213 CB ARG A 79 36.983 76.814 6.436 1.00 75.30 C ATOM 1214 CG ARG A 79 37.359 78.281 6.303 1.00 75.30 C ATOM 1215 CD ARG A 79 38.139 78.733 7.531 1.00 75.30 C ATOM 1216 NE ARG A 79 39.431 79.334 7.211 1.00 75.30 N ATOM 1217 CZ ARG A 79 40.429 78.699 6.602 1.00 75.30 C ATOM 1218 NH1 ARG A 79 40.295 77.429 6.236 1.00 75.30 N ATOM 1219 NH2 ARG A 79 41.571 79.328 6.368 1.00 75.30 N ATOM 1220 HA ARG A 79 36.281 76.506 4.427 1.00 0.00 H ATOM 1221 HB2 ARG A 79 36.601 76.652 7.444 1.00 0.00 H ATOM 1222 HB3 ARG A 79 37.884 76.218 6.291 1.00 0.00 H ATOM 1223 HG2 ARG A 79 37.975 78.417 5.414 1.00 0.00 H ATOM 1224 HG3 ARG A 79 36.453 78.879 6.211 1.00 0.00 H ATOM 1225 HD2 ARG A 79 38.310 77.867 8.170 1.00 0.00 H ATOM 1226 HD3 ARG A 79 37.540 79.468 8.069 1.00 0.00 H ATOM 1227 HE ARG A 79 39.581 80.328 7.478 1.00 0.00 H ATOM 1228 HH12 ARG A 79 41.080 76.939 5.760 1.00 0.00 H ATOM 1229 HH11 ARG A 79 39.405 76.924 6.425 1.00 0.00 H ATOM 1230 HH22 ARG A 79 42.350 78.831 5.892 1.00 0.00 H ATOM 1231 HH21 ARG A 79 41.688 80.319 6.660 1.00 0.00 H ATOM 1232 H ARG A 79 34.615 77.750 6.437 1.00 0.00 H ATOM 1233 N LYS A 80 36.229 73.988 4.766 1.00 40.05 N ATOM 1234 CA LYS A 80 36.027 72.551 4.906 1.00 40.05 C ATOM 1235 C LYS A 80 36.970 72.039 5.999 1.00 40.05 C ATOM 1236 O LYS A 80 38.148 72.406 6.035 1.00 40.05 O ATOM 1237 CB LYS A 80 36.285 71.851 3.574 1.00100.39 C ATOM 1238 CG LYS A 80 35.735 70.444 3.526 1.00100.39 C ATOM 1239 CD LYS A 80 35.777 69.877 2.122 1.00100.39 C ATOM 1240 CE LYS A 80 35.119 68.507 2.076 1.00100.39 C ATOM 1241 NZ LYS A 80 35.096 67.948 0.697 1.00100.39 N ATOM 1242 HA LYS A 80 34.997 72.336 5.190 1.00 0.00 H ATOM 1243 HB2 LYS A 80 35.818 72.433 2.780 1.00 0.00 H ATOM 1244 HB3 LYS A 80 37.361 71.809 3.407 1.00 0.00 H ATOM 1245 HG2 LYS A 80 36.330 69.809 4.182 1.00 0.00 H ATOM 1246 HG3 LYS A 80 34.702 70.456 3.872 1.00 0.00 H ATOM 1247 HD2 LYS A 80 35.249 70.551 1.448 1.00 0.00 H ATOM 1248 HD3 LYS A 80 36.815 69.786 1.803 1.00 0.00 H ATOM 1249 HE2 LYS A 80 34.095 68.596 2.438 1.00 0.00 H ATOM 1250 HE3 LYS A 80 35.674 67.827 2.723 1.00 0.00 H ATOM 1251 HZ1 LYS A 80 34.562 68.587 0.074 1.00 0.00 H ATOM 1252 HZ2 LYS A 80 36.070 67.854 0.346 1.00 0.00 H ATOM 1253 HZ3 LYS A 80 34.639 67.014 0.711 1.00 0.00 H ATOM 1254 H LYS A 80 36.802 74.359 3.981 1.00 0.00 H ATOM 1255 N CYS A 81 36.453 71.201 6.894 1.00 34.84 N ATOM 1256 CA CYS A 81 37.256 70.694 8.008 1.00 34.84 C ATOM 1257 C CYS A 81 37.072 69.217 8.356 1.00 34.84 C ATOM 1258 O CYS A 81 36.184 68.527 7.853 1.00 34.84 O ATOM 1259 CB CYS A 81 36.947 71.496 9.276 1.00 30.03 C ATOM 1260 SG CYS A 81 35.256 71.188 9.920 1.00 30.03 S ATOM 1261 HA CYS A 81 38.283 70.808 7.661 1.00 0.00 H ATOM 1262 HB2 CYS A 81 37.045 72.558 9.049 1.00 0.00 H ATOM 1263 HB3 CYS A 81 37.668 71.222 10.046 1.00 0.00 H ATOM 1264 HG CYS A 81 35.118 69.849 10.224 1.00 0.00 H ATOM 1265 H CYS A 81 35.462 70.901 6.800 1.00 0.00 H ATOM 1266 N ARG A 82 37.921 68.768 9.269 1.00 30.61 N ATOM 1267 CA ARG A 82 37.917 67.407 9.775 1.00 30.61 C ATOM 1268 C ARG A 82 37.292 67.521 11.160 1.00 30.61 C ATOM 1269 O ARG A 82 37.755 68.314 11.982 1.00 30.61 O ATOM 1270 CB ARG A 82 39.358 66.909 9.893 1.00 88.48 C ATOM 1271 CG ARG A 82 39.490 65.480 10.326 1.00 88.48 C ATOM 1272 CD ARG A 82 38.823 64.598 9.312 1.00 88.48 C ATOM 1273 NE ARG A 82 38.903 63.191 9.673 1.00 88.48 N ATOM 1274 CZ ARG A 82 38.343 62.217 8.965 1.00 88.48 C ATOM 1275 NH1 ARG A 82 37.665 62.509 7.861 1.00 88.48 N ATOM 1276 NH2 ARG A 82 38.458 60.956 9.357 1.00 88.48 N ATOM 1277 HA ARG A 82 37.377 66.713 9.131 1.00 0.00 H ATOM 1278 HB2 ARG A 82 39.836 67.015 8.919 1.00 0.00 H ATOM 1279 HB3 ARG A 82 39.876 67.534 10.620 1.00 0.00 H ATOM 1280 HG2 ARG A 82 40.545 65.217 10.402 1.00 0.00 H ATOM 1281 HG3 ARG A 82 39.013 65.347 11.297 1.00 0.00 H ATOM 1282 HD2 ARG A 82 39.309 64.742 8.347 1.00 0.00 H ATOM 1283 HD3 ARG A 82 37.774 64.882 9.235 1.00 0.00 H ATOM 1284 HE ARG A 82 39.428 62.934 10.533 1.00 0.00 H ATOM 1285 HH12 ARG A 82 37.225 61.748 7.304 1.00 0.00 H ATOM 1286 HH11 ARG A 82 37.574 63.498 7.553 1.00 0.00 H ATOM 1287 HH22 ARG A 82 38.018 60.196 8.800 1.00 0.00 H ATOM 1288 HH21 ARG A 82 38.988 60.727 10.222 1.00 0.00 H ATOM 1289 H ARG A 82 38.631 69.428 9.645 1.00 0.00 H ATOM 1290 N SER A 83 36.244 66.748 11.424 1.00 19.41 N ATOM 1291 CA SER A 83 35.576 66.816 12.727 1.00 19.41 C ATOM 1292 C SER A 83 35.677 65.550 13.580 1.00 19.41 C ATOM 1293 O SER A 83 35.688 64.441 13.056 1.00 19.41 O ATOM 1294 CB SER A 83 34.111 67.213 12.526 1.00 32.47 C ATOM 1295 OG SER A 83 34.028 68.530 12.004 1.00 32.47 O ATOM 1296 HA SER A 83 36.113 67.574 13.298 1.00 0.00 H ATOM 1297 HB2 SER A 83 33.592 67.171 13.483 1.00 0.00 H ATOM 1298 HB3 SER A 83 33.642 66.519 11.829 1.00 0.00 H ATOM 1299 HG SER A 83 33.077 68.775 11.879 1.00 0.00 H ATOM 1300 H SER A 83 35.894 66.089 10.700 1.00 0.00 H ATOM 1301 N LEU A 84 35.753 65.746 14.898 1.00 22.10 N ATOM 1302 CA LEU A 84 35.881 64.671 15.889 1.00 22.10 C ATOM 1303 C LEU A 84 34.829 64.751 16.995 1.00 22.10 C ATOM 1304 O LEU A 84 35.061 65.359 18.049 1.00 22.10 O ATOM 1305 CB LEU A 84 37.260 64.727 16.546 1.00 45.34 C ATOM 1306 CG LEU A 84 38.465 64.314 15.711 1.00 45.34 C ATOM 1307 CD1 LEU A 84 39.747 64.784 16.375 1.00 45.34 C ATOM 1308 CD2 LEU A 84 38.445 62.802 15.531 1.00 45.34 C ATOM 1309 HA LEU A 84 35.737 63.737 15.345 1.00 0.00 H ATOM 1310 HB2 LEU A 84 37.425 65.755 16.868 1.00 0.00 H ATOM 1311 HB3 LEU A 84 37.231 64.075 17.419 1.00 0.00 H ATOM 1312 HG LEU A 84 38.420 64.781 14.727 1.00 0.00 H ATOM 1313 HD21 LEU A 84 38.490 62.320 16.508 1.00 0.00 H ATOM 1314 HD22 LEU A 84 37.526 62.510 15.023 1.00 0.00 H ATOM 1315 HD23 LEU A 84 39.305 62.497 14.934 1.00 0.00 H ATOM 1316 HD11 LEU A 84 39.730 65.870 16.467 1.00 0.00 H ATOM 1317 HD12 LEU A 84 39.827 64.336 17.365 1.00 0.00 H ATOM 1318 HD13 LEU A 84 40.601 64.482 15.768 1.00 0.00 H ATOM 1319 H LEU A 84 35.719 66.726 15.246 1.00 0.00 H ATOM 1320 N PRO A 85 33.657 64.147 16.770 1.00 18.01 N ATOM 1321 CA PRO A 85 32.554 64.137 17.741 1.00 18.01 C ATOM 1322 C PRO A 85 32.851 63.218 18.932 1.00 18.01 C ATOM 1323 O PRO A 85 33.369 62.120 18.756 1.00 18.01 O ATOM 1324 CB PRO A 85 31.388 63.629 16.903 1.00 29.75 C ATOM 1325 CG PRO A 85 32.090 62.609 16.017 1.00 29.75 C ATOM 1326 CD PRO A 85 33.255 63.459 15.531 1.00 29.75 C ATOM 1327 HA PRO A 85 32.366 65.109 18.197 1.00 0.00 H ATOM 1328 HD3 PRO A 85 34.063 62.841 15.139 1.00 0.00 H ATOM 1329 HD2 PRO A 85 32.938 64.168 14.766 1.00 0.00 H ATOM 1330 HG3 PRO A 85 31.456 62.279 15.194 1.00 0.00 H ATOM 1331 HG2 PRO A 85 32.428 61.741 16.584 1.00 0.00 H ATOM 1332 HB2 PRO A 85 30.623 63.162 17.523 1.00 0.00 H ATOM 1333 HB3 PRO A 85 30.939 64.429 16.315 1.00 0.00 H ATOM 1334 N THR A 86 32.497 63.657 20.134 1.00 25.35 N ATOM 1335 CA THR A 86 32.743 62.877 21.345 1.00 25.35 C ATOM 1336 C THR A 86 31.683 63.168 22.391 1.00 25.35 C ATOM 1337 O THR A 86 31.181 64.284 22.456 1.00 25.35 O ATOM 1338 CB THR A 86 34.081 63.265 21.984 1.00 27.22 C ATOM 1339 OG1 THR A 86 35.140 63.022 21.061 1.00 27.22 O ATOM 1340 CG2 THR A 86 34.324 62.470 23.240 1.00 27.22 C ATOM 1341 HA THR A 86 32.737 61.828 21.048 1.00 0.00 H ATOM 1342 HB THR A 86 34.046 64.324 22.240 1.00 0.00 H ATOM 1343 HG1 THR A 86 36.003 63.274 21.477 1.00 0.00 H ATOM 1344 HG23 THR A 86 33.515 62.654 23.947 1.00 0.00 H ATOM 1345 HG21 THR A 86 34.360 61.408 22.995 1.00 0.00 H ATOM 1346 HG22 THR A 86 35.272 62.774 23.683 1.00 0.00 H ATOM 1347 H THR A 86 32.031 64.583 20.216 1.00 0.00 H ATOM 1348 N TRP A 87 31.340 62.185 23.217 1.00 19.79 N ATOM 1349 CA TRP A 87 30.376 62.443 24.279 1.00 19.79 C ATOM 1350 C TRP A 87 31.126 63.110 25.421 1.00 19.79 C ATOM 1351 O TRP A 87 31.876 62.442 26.134 1.00 19.79 O ATOM 1352 CB TRP A 87 29.746 61.158 24.811 1.00 25.64 C ATOM 1353 CG TRP A 87 28.799 60.530 23.887 1.00 25.64 C ATOM 1354 CD1 TRP A 87 28.986 59.396 23.163 1.00 25.64 C ATOM 1355 CD2 TRP A 87 27.505 61.025 23.540 1.00 25.64 C ATOM 1356 NE1 TRP A 87 27.883 59.145 22.379 1.00 25.64 N ATOM 1357 CE2 TRP A 87 26.958 60.133 22.594 1.00 25.64 C ATOM 1358 CE3 TRP A 87 26.753 62.136 23.939 1.00 25.64 C ATOM 1359 CZ2 TRP A 87 25.691 60.319 22.036 1.00 25.64 C ATOM 1360 CZ3 TRP A 87 25.496 62.321 23.387 1.00 25.64 C ATOM 1361 CH2 TRP A 87 24.979 61.417 22.443 1.00 25.64 C ATOM 1362 HA TRP A 87 29.577 63.067 23.880 1.00 0.00 H ATOM 1363 HB2 TRP A 87 30.544 60.446 25.020 1.00 0.00 H ATOM 1364 HB3 TRP A 87 29.219 61.392 25.736 1.00 0.00 H ATOM 1365 HE1 TRP A 87 27.770 58.339 21.731 1.00 0.00 H ATOM 1366 HD1 TRP A 87 29.881 58.774 23.198 1.00 0.00 H ATOM 1367 HZ2 TRP A 87 25.285 59.619 21.306 1.00 0.00 H ATOM 1368 HH2 TRP A 87 23.988 61.593 22.025 1.00 0.00 H ATOM 1369 HZ3 TRP A 87 24.899 63.181 23.689 1.00 0.00 H ATOM 1370 HE3 TRP A 87 27.149 62.842 24.670 1.00 0.00 H ATOM 1371 H TRP A 87 31.757 61.239 23.106 1.00 0.00 H ATOM 1372 N GLU A 88 30.951 64.417 25.594 1.00 28.04 N ATOM 1373 CA GLU A 88 31.631 65.101 26.688 1.00 28.04 C ATOM 1374 C GLU A 88 31.034 64.537 27.978 1.00 28.04 C ATOM 1375 O GLU A 88 31.739 64.319 28.965 1.00 28.04 O ATOM 1376 CB GLU A 88 31.423 66.616 26.604 1.00 48.11 C ATOM 1377 CG GLU A 88 32.186 67.399 27.666 1.00 48.11 C ATOM 1378 CD GLU A 88 32.104 68.902 27.465 1.00 48.11 C ATOM 1379 OE1 GLU A 88 32.593 69.393 26.426 1.00 48.11 O ATOM 1380 OE2 GLU A 88 31.548 69.596 28.343 1.00 48.11 O ATOM 1381 HA GLU A 88 32.708 64.937 26.646 1.00 0.00 H ATOM 1382 HB2 GLU A 88 31.753 66.955 25.622 1.00 0.00 H ATOM 1383 HB3 GLU A 88 30.359 66.825 26.720 1.00 0.00 H ATOM 1384 HG2 GLU A 88 31.770 67.155 28.644 1.00 0.00 H ATOM 1385 HG3 GLU A 88 33.234 67.100 27.633 1.00 0.00 H ATOM 1386 H GLU A 88 30.331 64.950 24.951 1.00 0.00 H ATOM 1387 N ASN A 89 29.726 64.303 27.946 1.00 18.18 N ATOM 1388 CA ASN A 89 28.989 63.719 29.061 1.00 18.18 C ATOM 1389 C ASN A 89 27.789 63.003 28.450 1.00 18.18 C ATOM 1390 O ASN A 89 27.650 62.959 27.226 1.00 18.18 O ATOM 1391 CB ASN A 89 28.526 64.777 30.074 1.00 38.35 C ATOM 1392 CG ASN A 89 27.483 65.716 29.510 1.00 38.35 C ATOM 1393 OD1 ASN A 89 26.440 65.281 29.008 1.00 38.35 O ATOM 1394 ND2 ASN A 89 27.749 67.018 29.604 1.00 38.35 N ATOM 1395 HA ASN A 89 29.631 63.037 29.618 1.00 0.00 H ATOM 1396 HB2 ASN A 89 28.104 64.268 30.940 1.00 0.00 H ATOM 1397 HB3 ASN A 89 29.391 65.363 30.384 1.00 0.00 H ATOM 1398 HD22 ASN A 89 28.640 67.337 30.035 1.00 0.00 H ATOM 1399 HD21 ASN A 89 27.065 67.716 29.247 1.00 0.00 H ATOM 1400 H ASN A 89 29.202 64.549 27.082 1.00 0.00 H ATOM 1401 N GLU A 90 26.917 62.453 29.287 1.00 31.36 N ATOM 1402 CA GLU A 90 25.771 61.703 28.795 1.00 31.36 C ATOM 1403 C GLU A 90 24.859 62.426 27.799 1.00 31.36 C ATOM 1404 O GLU A 90 24.393 61.812 26.840 1.00 31.36 O ATOM 1405 CB GLU A 90 24.957 61.193 29.982 1.00 98.96 C ATOM 1406 CG GLU A 90 23.840 60.252 29.603 1.00 98.96 C ATOM 1407 CD GLU A 90 23.203 59.617 30.817 1.00 98.96 C ATOM 1408 OE1 GLU A 90 22.694 60.366 31.678 1.00 98.96 O ATOM 1409 OE2 GLU A 90 23.217 58.371 30.912 1.00 98.96 O ATOM 1410 HA GLU A 90 26.197 60.886 28.213 1.00 0.00 H ATOM 1411 HB2 GLU A 90 25.631 60.670 30.660 1.00 0.00 H ATOM 1412 HB3 GLU A 90 24.523 62.052 30.494 1.00 0.00 H ATOM 1413 HG2 GLU A 90 23.079 60.809 29.056 1.00 0.00 H ATOM 1414 HG3 GLU A 90 24.242 59.466 28.964 1.00 0.00 H ATOM 1415 H GLU A 90 27.055 62.560 30.312 1.00 0.00 H ATOM 1416 N ASN A 91 24.616 63.722 28.002 1.00 33.02 N ATOM 1417 CA ASN A 91 23.726 64.480 27.114 1.00 33.02 C ATOM 1418 C ASN A 91 24.416 65.551 26.273 1.00 33.02 C ATOM 1419 O ASN A 91 23.748 66.411 25.694 1.00 33.02 O ATOM 1420 CB ASN A 91 22.643 65.174 27.941 1.00 63.82 C ATOM 1421 CG ASN A 91 21.926 64.229 28.869 1.00 63.82 C ATOM 1422 OD1 ASN A 91 21.371 63.219 28.436 1.00 63.82 O ATOM 1423 ND2 ASN A 91 21.925 64.554 30.157 1.00 63.82 N ATOM 1424 HA ASN A 91 23.320 63.739 26.425 1.00 0.00 H ATOM 1425 HB2 ASN A 91 23.108 65.961 28.535 1.00 0.00 H ATOM 1426 HB3 ASN A 91 21.914 65.616 27.261 1.00 0.00 H ATOM 1427 HD22 ASN A 91 22.408 65.418 30.476 1.00 0.00 H ATOM 1428 HD21 ASN A 91 21.441 63.944 30.847 1.00 0.00 H ATOM 1429 H ASN A 91 25.066 64.205 28.806 1.00 0.00 H ATOM 1430 N LYS A 92 25.741 65.500 26.190 1.00 26.21 N ATOM 1431 CA LYS A 92 26.474 66.519 25.460 1.00 26.21 C ATOM 1432 C LYS A 92 27.514 65.969 24.495 1.00 26.21 C ATOM 1433 O LYS A 92 28.313 65.105 24.840 1.00 26.21 O ATOM 1434 CB LYS A 92 27.136 67.450 26.474 1.00 19.83 C ATOM 1435 CG LYS A 92 27.764 68.694 25.902 1.00 19.83 C ATOM 1436 CD LYS A 92 28.294 69.542 27.036 1.00 19.83 C ATOM 1437 CE LYS A 92 28.922 70.823 26.544 1.00 19.83 C ATOM 1438 NZ LYS A 92 29.422 71.582 27.720 1.00 19.83 N ATOM 1439 HA LYS A 92 25.756 67.051 24.836 1.00 0.00 H ATOM 1440 HB2 LYS A 92 26.377 67.757 27.193 1.00 0.00 H ATOM 1441 HB3 LYS A 92 27.915 66.887 26.988 1.00 0.00 H ATOM 1442 HG2 LYS A 92 28.583 68.418 25.237 1.00 0.00 H ATOM 1443 HG3 LYS A 92 27.017 69.257 25.342 1.00 0.00 H ATOM 1444 HD2 LYS A 92 27.470 69.789 27.705 1.00 0.00 H ATOM 1445 HD3 LYS A 92 29.044 68.970 27.582 1.00 0.00 H ATOM 1446 HE2 LYS A 92 28.179 71.417 26.011 1.00 0.00 H ATOM 1447 HE3 LYS A 92 29.751 70.594 25.874 1.00 0.00 H ATOM 1448 HZ1 LYS A 92 28.628 71.796 28.356 1.00 0.00 H ATOM 1449 HZ2 LYS A 92 30.128 71.010 28.225 1.00 0.00 H ATOM 1450 HZ3 LYS A 92 29.859 72.469 27.398 1.00 0.00 H ATOM 1451 H LYS A 92 26.257 64.724 26.652 1.00 0.00 H ATOM 1452 N ILE A 93 27.489 66.479 23.273 1.00 19.39 N ATOM 1453 CA ILE A 93 28.435 66.056 22.262 1.00 19.39 C ATOM 1454 C ILE A 93 29.427 67.189 22.069 1.00 19.39 C ATOM 1455 O ILE A 93 29.027 68.337 21.911 1.00 19.39 O ATOM 1456 CB ILE A 93 27.749 65.808 20.904 1.00 6.16 C ATOM 1457 CG1 ILE A 93 26.650 64.759 21.049 1.00 6.16 C ATOM 1458 CG2 ILE A 93 28.791 65.386 19.868 1.00 6.16 C ATOM 1459 CD1 ILE A 93 25.950 64.447 19.739 1.00 6.16 C ATOM 1460 HA ILE A 93 28.905 65.129 22.589 1.00 0.00 H ATOM 1461 HB ILE A 93 27.281 66.731 20.561 1.00 0.00 H ATOM 1462 HG12 ILE A 93 27.095 63.841 21.433 1.00 0.00 H ATOM 1463 HG13 ILE A 93 25.910 65.127 21.759 1.00 0.00 H ATOM 1464 HD11 ILE A 93 25.492 65.355 19.348 1.00 0.00 H ATOM 1465 HD12 ILE A 93 26.677 64.068 19.021 1.00 0.00 H ATOM 1466 HD13 ILE A 93 25.180 63.695 19.910 1.00 0.00 H ATOM 1467 HG21 ILE A 93 29.534 66.176 19.759 1.00 0.00 H ATOM 1468 HG22 ILE A 93 29.280 64.470 20.199 1.00 0.00 H ATOM 1469 HG23 ILE A 93 28.300 65.212 18.911 1.00 0.00 H ATOM 1470 H ILE A 93 26.776 67.197 23.035 1.00 0.00 H ATOM 1471 N HIS A 94 30.714 66.870 22.092 1.00 21.09 N ATOM 1472 CA HIS A 94 31.743 67.873 21.883 1.00 21.09 C ATOM 1473 C HIS A 94 32.357 67.556 20.539 1.00 21.09 C ATOM 1474 O HIS A 94 32.602 66.392 20.239 1.00 21.09 O ATOM 1475 CB HIS A 94 32.831 67.783 22.935 1.00 30.96 C ATOM 1476 CG HIS A 94 33.910 68.795 22.746 1.00 30.96 C ATOM 1477 ND1 HIS A 94 33.818 70.082 23.235 1.00 30.96 N ATOM 1478 CD2 HIS A 94 35.059 68.746 22.031 1.00 30.96 C ATOM 1479 CE1 HIS A 94 34.863 70.780 22.828 1.00 30.96 C ATOM 1480 NE2 HIS A 94 35.632 69.996 22.096 1.00 30.96 N ATOM 1481 HA HIS A 94 31.311 68.872 21.937 1.00 0.00 H ATOM 1482 HB2 HIS A 94 32.380 67.935 23.916 1.00 0.00 H ATOM 1483 HB3 HIS A 94 33.275 66.789 22.891 1.00 0.00 H ATOM 1484 HD2 HIS A 94 35.456 67.879 21.503 1.00 0.00 H ATOM 1485 HE1 HIS A 94 35.058 71.828 23.058 1.00 0.00 H ATOM 1486 H HIS A 94 30.992 65.882 22.263 1.00 0.00 H ATOM 1487 N CYS A 95 32.621 68.564 19.723 1.00 19.96 N ATOM 1488 CA CYS A 95 33.203 68.275 18.426 1.00 19.96 C ATOM 1489 C CYS A 95 34.357 69.196 18.078 1.00 19.96 C ATOM 1490 O CYS A 95 34.176 70.403 17.952 1.00 19.96 O ATOM 1491 CB CYS A 95 32.132 68.358 17.342 1.00 17.85 C ATOM 1492 SG CYS A 95 32.709 67.793 15.724 1.00 17.85 S ATOM 1493 HA CYS A 95 33.605 67.263 18.480 1.00 0.00 H ATOM 1494 HB2 CYS A 95 31.810 69.395 17.252 1.00 0.00 H ATOM 1495 HB3 CYS A 95 31.286 67.741 17.643 1.00 0.00 H ATOM 1496 HG CYS A 95 31.683 67.901 14.808 1.00 0.00 H ATOM 1497 H CYS A 95 32.415 69.543 20.006 1.00 0.00 H ATOM 1498 N THR A 96 35.542 68.614 17.919 1.00 20.16 N ATOM 1499 CA THR A 96 36.748 69.359 17.576 1.00 20.16 C ATOM 1500 C THR A 96 36.889 69.406 16.067 1.00 20.16 C ATOM 1501 O THR A 96 36.588 68.431 15.379 1.00 20.16 O ATOM 1502 CB THR A 96 38.012 68.680 18.149 1.00 28.30 C ATOM 1503 OG1 THR A 96 38.031 68.814 19.573 1.00 28.30 O ATOM 1504 CG2 THR A 96 39.260 69.301 17.568 1.00 28.30 C ATOM 1505 HA THR A 96 36.656 70.359 17.999 1.00 0.00 H ATOM 1506 HB THR A 96 37.988 67.624 17.881 1.00 0.00 H ATOM 1507 HG1 THR A 96 38.843 68.377 19.934 1.00 0.00 H ATOM 1508 HG23 THR A 96 39.244 69.198 16.483 1.00 0.00 H ATOM 1509 HG21 THR A 96 39.296 70.358 17.834 1.00 0.00 H ATOM 1510 HG22 THR A 96 40.137 68.794 17.970 1.00 0.00 H ATOM 1511 H THR A 96 35.612 67.584 18.045 1.00 0.00 H ATOM 1512 N GLN A 97 37.354 70.535 15.549 1.00 23.09 N ATOM 1513 CA GLN A 97 37.542 70.676 14.114 1.00 23.09 C ATOM 1514 C GLN A 97 38.972 71.094 13.781 1.00 23.09 C ATOM 1515 O GLN A 97 39.552 71.953 14.444 1.00 23.09 O ATOM 1516 CB GLN A 97 36.588 71.728 13.549 1.00 30.89 C ATOM 1517 CG GLN A 97 35.124 71.493 13.849 1.00 30.89 C ATOM 1518 CD GLN A 97 34.254 72.596 13.294 1.00 30.89 C ATOM 1519 OE1 GLN A 97 34.506 73.775 13.539 1.00 30.89 O ATOM 1520 NE2 GLN A 97 33.220 72.223 12.551 1.00 30.89 N ATOM 1521 HA GLN A 97 37.336 69.704 13.666 1.00 0.00 H ATOM 1522 HB2 GLN A 97 36.867 72.696 13.965 1.00 0.00 H ATOM 1523 HB3 GLN A 97 36.712 71.750 12.466 1.00 0.00 H ATOM 1524 HG2 GLN A 97 34.820 70.546 13.404 1.00 0.00 H ATOM 1525 HG3 GLN A 97 34.988 71.446 14.929 1.00 0.00 H ATOM 1526 HE22 GLN A 97 33.046 71.214 12.371 1.00 0.00 H ATOM 1527 HE21 GLN A 97 32.583 72.940 12.149 1.00 0.00 H ATOM 1528 H GLN A 97 37.587 71.330 16.178 1.00 0.00 H ATOM 1529 N THR A 98 39.542 70.472 12.759 1.00 30.89 N ATOM 1530 CA THR A 98 40.875 70.833 12.304 1.00 30.89 C ATOM 1531 C THR A 98 40.677 71.109 10.822 1.00 30.89 C ATOM 1532 O THR A 98 40.143 70.266 10.109 1.00 30.89 O ATOM 1533 CB THR A 98 41.902 69.685 12.527 1.00 46.93 C ATOM 1534 OG1 THR A 98 41.375 68.461 12.012 1.00 46.93 O ATOM 1535 CG2 THR A 98 42.211 69.517 14.009 1.00 46.93 C ATOM 1536 HA THR A 98 41.284 71.682 12.851 1.00 0.00 H ATOM 1537 HB THR A 98 42.823 69.941 12.004 1.00 0.00 H ATOM 1538 HG1 THR A 98 41.199 68.561 11.043 1.00 0.00 H ATOM 1539 HG23 THR A 98 42.613 70.450 14.403 1.00 0.00 H ATOM 1540 HG21 THR A 98 41.296 69.260 14.543 1.00 0.00 H ATOM 1541 HG22 THR A 98 42.944 68.721 14.138 1.00 0.00 H ATOM 1542 H THR A 98 39.026 69.711 12.273 1.00 0.00 H ATOM 1543 N LEU A 99 41.057 72.305 10.374 1.00 43.29 N ATOM 1544 CA LEU A 99 40.894 72.688 8.971 1.00 43.29 C ATOM 1545 C LEU A 99 41.651 71.753 8.046 1.00 43.29 C ATOM 1546 O LEU A 99 42.784 71.382 8.351 1.00 43.29 O ATOM 1547 CB LEU A 99 41.397 74.116 8.752 1.00 47.97 C ATOM 1548 CG LEU A 99 40.601 75.266 9.364 1.00 47.97 C ATOM 1549 CD1 LEU A 99 41.366 76.564 9.201 1.00 47.97 C ATOM 1550 CD2 LEU A 99 39.243 75.357 8.691 1.00 47.97 C ATOM 1551 HA LEU A 99 39.831 72.625 8.738 1.00 0.00 H ATOM 1552 HB2 LEU A 99 42.406 74.169 9.160 1.00 0.00 H ATOM 1553 HB3 LEU A 99 41.432 74.284 7.676 1.00 0.00 H ATOM 1554 HG LEU A 99 40.454 75.084 10.428 1.00 0.00 H ATOM 1555 HD21 LEU A 99 39.379 75.536 7.624 1.00 0.00 H ATOM 1556 HD22 LEU A 99 38.703 74.422 8.838 1.00 0.00 H ATOM 1557 HD23 LEU A 99 38.676 76.178 9.129 1.00 0.00 H ATOM 1558 HD11 LEU A 99 42.329 76.483 9.706 1.00 0.00 H ATOM 1559 HD12 LEU A 99 41.526 76.760 8.141 1.00 0.00 H ATOM 1560 HD13 LEU A 99 40.792 77.380 9.640 1.00 0.00 H ATOM 1561 H LEU A 99 41.480 72.984 11.039 1.00 0.00 H ATOM 1562 N LEU A 100 41.040 71.363 6.926 1.00 53.63 N ATOM 1563 CA LEU A 100 41.727 70.481 5.978 1.00 53.63 C ATOM 1564 C LEU A 100 42.831 71.272 5.292 1.00 53.63 C ATOM 1565 O LEU A 100 44.002 70.889 5.330 1.00 53.63 O ATOM 1566 CB LEU A 100 40.774 69.924 4.912 1.00 33.65 C ATOM 1567 CG LEU A 100 39.708 68.894 5.294 1.00 33.65 C ATOM 1568 CD1 LEU A 100 39.010 68.408 4.036 1.00 33.65 C ATOM 1569 CD2 LEU A 100 40.344 67.722 6.007 1.00 33.65 C ATOM 1570 HA LEU A 100 42.133 69.636 6.534 1.00 0.00 H ATOM 1571 HB2 LEU A 100 40.247 70.777 4.485 1.00 0.00 H ATOM 1572 HB3 LEU A 100 41.396 69.462 4.145 1.00 0.00 H ATOM 1573 HG LEU A 100 38.984 69.359 5.962 1.00 0.00 H ATOM 1574 HD21 LEU A 100 41.075 67.252 5.350 1.00 0.00 H ATOM 1575 HD22 LEU A 100 40.840 68.074 6.911 1.00 0.00 H ATOM 1576 HD23 LEU A 100 39.573 66.998 6.272 1.00 0.00 H ATOM 1577 HD11 LEU A 100 38.540 69.253 3.533 1.00 0.00 H ATOM 1578 HD12 LEU A 100 39.741 67.949 3.371 1.00 0.00 H ATOM 1579 HD13 LEU A 100 38.250 67.674 4.304 1.00 0.00 H ATOM 1580 H LEU A 100 40.072 71.686 6.725 1.00 0.00 H ATOM 1581 N GLU A 101 42.447 72.374 4.658 1.00 94.75 N ATOM 1582 CA GLU A 101 43.407 73.232 3.983 1.00 94.75 C ATOM 1583 C GLU A 101 43.516 74.600 4.634 1.00 94.75 C ATOM 1584 O GLU A 101 42.516 75.209 5.023 1.00 94.75 O ATOM 1585 CB GLU A 101 43.052 73.397 2.503 1.00101.16 C ATOM 1586 CG GLU A 101 43.648 72.334 1.595 1.00101.16 C ATOM 1587 CD GLU A 101 43.369 72.601 0.125 1.00101.16 C ATOM 1588 OE1 GLU A 101 43.622 73.742 -0.329 1.00101.16 O ATOM 1589 OE2 GLU A 101 42.911 71.671 -0.577 1.00101.16 O ATOM 1590 HA GLU A 101 44.375 72.739 4.070 1.00 0.00 H ATOM 1591 HB2 GLU A 101 41.967 73.360 2.406 1.00 0.00 H ATOM 1592 HB3 GLU A 101 43.413 74.371 2.172 1.00 0.00 H ATOM 1593 HG2 GLU A 101 44.727 72.309 1.747 1.00 0.00 H ATOM 1594 HG3 GLU A 101 43.222 71.367 1.862 1.00 0.00 H ATOM 1595 H GLU A 101 41.439 72.628 4.644 1.00 0.00 H ATOM 1596 N GLY A 102 44.751 75.074 4.747 1.00 69.44 N ATOM 1597 CA GLY A 102 44.996 76.366 5.348 1.00 69.44 C ATOM 1598 C GLY A 102 45.097 76.283 6.856 1.00 69.44 C ATOM 1599 O GLY A 102 45.222 75.201 7.435 1.00 69.44 O ATOM 1600 HA3 GLY A 102 44.177 77.036 5.087 1.00 0.00 H ATOM 1601 HA2 GLY A 102 45.931 76.765 4.954 1.00 0.00 H ATOM 1602 H GLY A 102 45.552 74.509 4.399 1.00 0.00 H ATOM 1603 N ASP A 103 45.051 77.447 7.489 1.00 77.43 N ATOM 1604 CA ASP A 103 45.128 77.553 8.937 1.00 77.43 C ATOM 1605 C ASP A 103 44.176 78.653 9.380 1.00 77.43 C ATOM 1606 O ASP A 103 43.809 79.522 8.588 1.00 77.43 O ATOM 1607 CB ASP A 103 46.564 77.874 9.367 1.00101.16 C ATOM 1608 CG ASP A 103 47.167 79.024 8.578 1.00101.16 C ATOM 1609 OD1 ASP A 103 46.616 80.146 8.634 1.00101.16 O ATOM 1610 OD2 ASP A 103 48.195 78.801 7.897 1.00101.16 O ATOM 1611 HA ASP A 103 44.845 76.609 9.403 1.00 0.00 H ATOM 1612 HB2 ASP A 103 46.561 78.139 10.424 1.00 0.00 H ATOM 1613 HB3 ASP A 103 47.180 76.987 9.218 1.00 0.00 H ATOM 1614 H ASP A 103 44.956 78.318 6.928 1.00 0.00 H ATOM 1615 N GLY A 104 43.763 78.604 10.639 1.00 55.61 N ATOM 1616 CA GLY A 104 42.848 79.610 11.141 1.00 55.61 C ATOM 1617 C GLY A 104 42.621 79.481 12.631 1.00 55.61 C ATOM 1618 O GLY A 104 43.420 78.866 13.339 1.00 55.61 O ATOM 1619 HA3 GLY A 104 41.892 79.502 10.629 1.00 0.00 H ATOM 1620 HA2 GLY A 104 43.261 80.597 10.932 1.00 0.00 H ATOM 1621 H GLY A 104 44.095 77.844 11.266 1.00 0.00 H ATOM 1622 N PRO A 105 41.532 80.067 13.141 1.00 49.79 N ATOM 1623 CA PRO A 105 41.202 80.011 14.567 1.00 49.79 C ATOM 1624 C PRO A 105 40.820 78.590 14.965 1.00 49.79 C ATOM 1625 O PRO A 105 40.224 77.864 14.169 1.00 49.79 O ATOM 1626 CB PRO A 105 40.008 80.966 14.670 1.00 55.21 C ATOM 1627 CG PRO A 105 40.193 81.895 13.466 1.00 55.21 C ATOM 1628 CD PRO A 105 40.516 80.857 12.427 1.00 55.21 C ATOM 1629 HA PRO A 105 42.024 80.288 15.227 1.00 0.00 H ATOM 1630 HD3 PRO A 105 39.643 80.255 12.174 1.00 0.00 H ATOM 1631 HD2 PRO A 105 40.920 81.307 11.520 1.00 0.00 H ATOM 1632 HG3 PRO A 105 41.013 82.598 13.612 1.00 0.00 H ATOM 1633 HG2 PRO A 105 39.282 82.445 13.228 1.00 0.00 H ATOM 1634 HB2 PRO A 105 39.066 80.422 14.602 1.00 0.00 H ATOM 1635 HB3 PRO A 105 40.036 81.527 15.604 1.00 0.00 H ATOM 1636 N LYS A 106 41.171 78.183 16.182 1.00 37.04 N ATOM 1637 CA LYS A 106 40.794 76.851 16.643 1.00 37.04 C ATOM 1638 C LYS A 106 39.290 76.852 16.894 1.00 37.04 C ATOM 1639 O LYS A 106 38.800 77.564 17.771 1.00 37.04 O ATOM 1640 CB LYS A 106 41.550 76.471 17.920 1.00 81.66 C ATOM 1641 CG LYS A 106 42.859 75.741 17.657 1.00 81.66 C ATOM 1642 CD LYS A 106 42.583 74.424 16.930 1.00 81.66 C ATOM 1643 CE LYS A 106 43.857 73.652 16.609 1.00 81.66 C ATOM 1644 NZ LYS A 106 43.564 72.372 15.887 1.00 81.66 N ATOM 1645 HA LYS A 106 41.054 76.112 15.885 1.00 0.00 H ATOM 1646 HB2 LYS A 106 41.769 77.383 18.476 1.00 0.00 H ATOM 1647 HB3 LYS A 106 40.910 75.826 18.521 1.00 0.00 H ATOM 1648 HG2 LYS A 106 43.504 76.366 17.040 1.00 0.00 H ATOM 1649 HG3 LYS A 106 43.355 75.534 18.605 1.00 0.00 H ATOM 1650 HD2 LYS A 106 41.948 73.803 17.562 1.00 0.00 H ATOM 1651 HD3 LYS A 106 42.063 74.642 15.997 1.00 0.00 H ATOM 1652 HE2 LYS A 106 44.375 73.422 17.540 1.00 0.00 H ATOM 1653 HE3 LYS A 106 44.498 74.272 15.982 1.00 0.00 H ATOM 1654 HZ1 LYS A 106 42.958 71.771 16.481 1.00 0.00 H ATOM 1655 HZ2 LYS A 106 43.075 72.583 14.994 1.00 0.00 H ATOM 1656 HZ3 LYS A 106 44.456 71.876 15.687 1.00 0.00 H ATOM 1657 H LYS A 106 41.714 78.814 16.805 1.00 0.00 H ATOM 1658 N THR A 107 38.560 76.063 16.109 1.00 30.37 N ATOM 1659 CA THR A 107 37.113 75.992 16.241 1.00 30.37 C ATOM 1660 C THR A 107 36.588 74.633 16.671 1.00 30.37 C ATOM 1661 O THR A 107 37.233 73.608 16.479 1.00 30.37 O ATOM 1662 CB THR A 107 36.422 76.338 14.927 1.00 13.73 C ATOM 1663 OG1 THR A 107 36.737 75.347 13.944 1.00 13.73 O ATOM 1664 CG2 THR A 107 36.882 77.683 14.441 1.00 13.73 C ATOM 1665 HA THR A 107 36.884 76.715 17.024 1.00 0.00 H ATOM 1666 HB THR A 107 35.345 76.365 15.090 1.00 0.00 H ATOM 1667 HG1 THR A 107 36.424 74.462 14.258 1.00 0.00 H ATOM 1668 HG23 THR A 107 36.643 78.439 15.189 1.00 0.00 H ATOM 1669 HG21 THR A 107 37.959 77.660 14.277 1.00 0.00 H ATOM 1670 HG22 THR A 107 36.376 77.922 13.506 1.00 0.00 H ATOM 1671 H THR A 107 39.034 75.485 15.386 1.00 0.00 H ATOM 1672 N TYR A 108 35.394 74.651 17.249 1.00 21.78 N ATOM 1673 CA TYR A 108 34.714 73.449 17.703 1.00 21.78 C ATOM 1674 C TYR A 108 33.260 73.840 17.943 1.00 21.78 C ATOM 1675 O TYR A 108 32.913 75.019 17.966 1.00 21.78 O ATOM 1676 CB TYR A 108 35.292 72.957 19.027 1.00 21.22 C ATOM 1677 CG TYR A 108 35.034 73.929 20.151 1.00 21.22 C ATOM 1678 CD1 TYR A 108 35.803 75.085 20.289 1.00 21.22 C ATOM 1679 CD2 TYR A 108 33.955 73.751 21.021 1.00 21.22 C ATOM 1680 CE1 TYR A 108 35.508 76.037 21.253 1.00 21.22 C ATOM 1681 CE2 TYR A 108 33.651 74.705 21.990 1.00 21.22 C ATOM 1682 CZ TYR A 108 34.434 75.845 22.094 1.00 21.22 C ATOM 1683 OH TYR A 108 34.139 76.808 23.025 1.00 21.22 O ATOM 1684 HA TYR A 108 34.825 72.658 16.962 1.00 0.00 H ATOM 1685 HB3 TYR A 108 36.368 72.826 18.915 1.00 0.00 H ATOM 1686 HB2 TYR A 108 34.835 72.000 19.277 1.00 0.00 H ATOM 1687 HD2 TYR A 108 33.342 72.853 20.940 1.00 0.00 H ATOM 1688 HE2 TYR A 108 32.805 74.557 22.661 1.00 0.00 H ATOM 1689 HE1 TYR A 108 36.123 76.932 21.345 1.00 0.00 H ATOM 1690 HD1 TYR A 108 36.653 75.243 19.625 1.00 0.00 H ATOM 1691 HH TYR A 108 34.798 77.544 22.957 1.00 0.00 H ATOM 1692 H TYR A 108 34.922 75.568 17.384 1.00 0.00 H ATOM 1693 N TRP A 109 32.406 72.847 18.112 1.00 14.06 N ATOM 1694 CA TRP A 109 31.017 73.119 18.412 1.00 14.06 C ATOM 1695 C TRP A 109 30.619 72.065 19.409 1.00 14.06 C ATOM 1696 O TRP A 109 31.305 71.057 19.543 1.00 14.06 O ATOM 1697 CB TRP A 109 30.128 73.061 17.157 1.00 10.94 C ATOM 1698 CG TRP A 109 30.118 71.770 16.384 1.00 10.94 C ATOM 1699 CD1 TRP A 109 30.702 71.535 15.162 1.00 10.94 C ATOM 1700 CD2 TRP A 109 29.417 70.568 16.726 1.00 10.94 C ATOM 1701 NE1 TRP A 109 30.400 70.265 14.723 1.00 10.94 N ATOM 1702 CE2 TRP A 109 29.613 69.650 15.662 1.00 10.94 C ATOM 1703 CE3 TRP A 109 28.638 70.176 17.826 1.00 10.94 C ATOM 1704 CZ2 TRP A 109 29.057 68.365 15.668 1.00 10.94 C ATOM 1705 CZ3 TRP A 109 28.085 68.899 17.831 1.00 10.94 C ATOM 1706 CH2 TRP A 109 28.299 68.008 16.753 1.00 10.94 C ATOM 1707 HA TRP A 109 30.889 74.128 18.804 1.00 0.00 H ATOM 1708 HB2 TRP A 109 29.104 73.265 17.470 1.00 0.00 H ATOM 1709 HB3 TRP A 109 30.463 73.847 16.480 1.00 0.00 H ATOM 1710 HE1 TRP A 109 30.717 69.842 13.827 1.00 0.00 H ATOM 1711 HD1 TRP A 109 31.317 72.252 14.618 1.00 0.00 H ATOM 1712 HZ2 TRP A 109 29.221 67.674 14.841 1.00 0.00 H ATOM 1713 HH2 TRP A 109 27.851 67.015 16.786 1.00 0.00 H ATOM 1714 HZ3 TRP A 109 27.478 68.580 18.678 1.00 0.00 H ATOM 1715 HE3 TRP A 109 28.470 70.858 18.659 1.00 0.00 H ATOM 1716 H TRP A 109 32.734 71.864 18.029 1.00 0.00 H ATOM 1717 N THR A 110 29.548 72.310 20.148 1.00 17.77 N ATOM 1718 CA THR A 110 29.073 71.334 21.117 1.00 17.77 C ATOM 1719 C THR A 110 27.566 71.408 21.146 1.00 17.77 C ATOM 1720 O THR A 110 26.999 72.488 21.202 1.00 17.77 O ATOM 1721 CB THR A 110 29.618 71.595 22.557 1.00 9.60 C ATOM 1722 OG1 THR A 110 29.132 72.852 23.056 1.00 9.60 O ATOM 1723 CG2 THR A 110 31.134 71.600 22.551 1.00 9.60 C ATOM 1724 HA THR A 110 29.431 70.351 20.812 1.00 0.00 H ATOM 1725 HB THR A 110 29.266 70.795 23.208 1.00 0.00 H ATOM 1726 HG1 THR A 110 28.143 72.835 23.083 1.00 0.00 H ATOM 1727 HG23 THR A 110 31.498 70.645 22.172 1.00 0.00 H ATOM 1728 HG21 THR A 110 31.491 72.406 21.910 1.00 0.00 H ATOM 1729 HG22 THR A 110 31.500 71.752 23.567 1.00 0.00 H ATOM 1730 H THR A 110 29.040 73.211 20.035 1.00 0.00 H ATOM 1731 N ARG A 111 26.914 70.262 21.060 1.00 20.49 N ATOM 1732 CA ARG A 111 25.470 70.254 21.120 1.00 20.49 C ATOM 1733 C ARG A 111 25.093 69.535 22.401 1.00 20.49 C ATOM 1734 O ARG A 111 25.562 68.432 22.678 1.00 20.49 O ATOM 1735 CB ARG A 111 24.862 69.595 19.872 1.00 17.53 C ATOM 1736 CG ARG A 111 24.910 70.475 18.617 1.00 17.53 C ATOM 1737 CD ARG A 111 24.050 69.885 17.513 1.00 17.53 C ATOM 1738 NE ARG A 111 23.940 70.743 16.327 1.00 17.53 N ATOM 1739 CZ ARG A 111 24.917 70.959 15.446 1.00 17.53 C ATOM 1740 NH1 ARG A 111 26.108 70.383 15.594 1.00 17.53 N ATOM 1741 NH2 ARG A 111 24.700 71.753 14.407 1.00 17.53 N ATOM 1742 HA ARG A 111 25.069 71.268 21.130 1.00 0.00 H ATOM 1743 HB2 ARG A 111 25.411 68.676 19.668 1.00 0.00 H ATOM 1744 HB3 ARG A 111 23.820 69.355 20.084 1.00 0.00 H ATOM 1745 HG2 ARG A 111 24.542 71.471 18.864 1.00 0.00 H ATOM 1746 HG3 ARG A 111 25.940 70.546 18.269 1.00 0.00 H ATOM 1747 HD2 ARG A 111 23.049 69.716 17.910 1.00 0.00 H ATOM 1748 HD3 ARG A 111 24.485 68.933 17.210 1.00 0.00 H ATOM 1749 HE ARG A 111 23.030 71.219 16.161 1.00 0.00 H ATOM 1750 HH12 ARG A 111 26.861 70.560 14.899 1.00 0.00 H ATOM 1751 HH11 ARG A 111 26.285 69.756 16.404 1.00 0.00 H ATOM 1752 HH22 ARG A 111 25.459 71.925 13.717 1.00 0.00 H ATOM 1753 HH21 ARG A 111 23.771 72.204 14.282 1.00 0.00 H ATOM 1754 H ARG A 111 27.437 69.370 20.950 1.00 0.00 H ATOM 1755 N GLU A 112 24.261 70.194 23.194 1.00 33.17 N ATOM 1756 CA GLU A 112 23.841 69.672 24.484 1.00 33.17 C ATOM 1757 C GLU A 112 22.329 69.640 24.664 1.00 33.17 C ATOM 1758 O GLU A 112 21.628 70.599 24.350 1.00 33.17 O ATOM 1759 CB GLU A 112 24.465 70.534 25.567 1.00 38.75 C ATOM 1760 CG GLU A 112 24.106 70.153 26.957 1.00 38.75 C ATOM 1761 CD GLU A 112 24.811 71.033 27.955 1.00 38.75 C ATOM 1762 OE1 GLU A 112 24.675 70.757 29.166 1.00 38.75 O ATOM 1763 OE2 GLU A 112 25.497 71.998 27.527 1.00 38.75 O ATOM 1764 HA GLU A 112 24.176 68.637 24.548 1.00 0.00 H ATOM 1765 HB2 GLU A 112 25.549 70.470 25.468 1.00 0.00 H ATOM 1766 HB3 GLU A 112 24.146 71.564 25.405 1.00 0.00 H ATOM 1767 HG2 GLU A 112 23.029 70.256 27.089 1.00 0.00 H ATOM 1768 HG3 GLU A 112 24.394 69.116 27.129 1.00 0.00 H ATOM 1769 H GLU A 112 23.896 71.117 22.883 1.00 0.00 H ATOM 1770 N LEU A 113 21.825 68.533 25.182 1.00 26.11 N ATOM 1771 CA LEU A 113 20.395 68.417 25.389 1.00 26.11 C ATOM 1772 C LEU A 113 20.132 68.667 26.869 1.00 26.11 C ATOM 1773 O LEU A 113 20.531 67.882 27.719 1.00 26.11 O ATOM 1774 CB LEU A 113 19.924 67.027 24.968 1.00 43.15 C ATOM 1775 CG LEU A 113 18.413 66.860 24.865 1.00 43.15 C ATOM 1776 CD1 LEU A 113 17.859 67.850 23.847 1.00 43.15 C ATOM 1777 CD2 LEU A 113 18.089 65.438 24.447 1.00 43.15 C ATOM 1778 HA LEU A 113 19.845 69.142 24.788 1.00 0.00 H ATOM 1779 HB2 LEU A 113 20.356 66.805 23.992 1.00 0.00 H ATOM 1780 HB3 LEU A 113 20.294 66.309 25.700 1.00 0.00 H ATOM 1781 HG LEU A 113 17.954 67.057 25.834 1.00 0.00 H ATOM 1782 HD21 LEU A 113 18.545 65.233 23.478 1.00 0.00 H ATOM 1783 HD22 LEU A 113 18.482 64.744 25.190 1.00 0.00 H ATOM 1784 HD23 LEU A 113 17.008 65.320 24.374 1.00 0.00 H ATOM 1785 HD11 LEU A 113 18.091 68.866 24.166 1.00 0.00 H ATOM 1786 HD12 LEU A 113 18.313 67.661 22.874 1.00 0.00 H ATOM 1787 HD13 LEU A 113 16.778 67.729 23.775 1.00 0.00 H ATOM 1788 H LEU A 113 22.454 67.746 25.441 1.00 0.00 H ATOM 1789 N ALA A 114 19.476 69.777 27.177 1.00 46.92 N ATOM 1790 CA ALA A 114 19.196 70.114 28.563 1.00 46.92 C ATOM 1791 C ALA A 114 17.785 70.629 28.783 1.00 46.92 C ATOM 1792 O ALA A 114 17.426 71.705 28.304 1.00 46.92 O ATOM 1793 CB ALA A 114 20.189 71.143 29.041 1.00 21.06 C ATOM 1794 HA ALA A 114 19.287 69.192 29.137 1.00 0.00 H ATOM 1795 HB1 ALA A 114 21.197 70.737 28.962 1.00 0.00 H ATOM 1796 HB2 ALA A 114 20.107 72.039 28.425 1.00 0.00 H ATOM 1797 HB3 ALA A 114 19.978 71.395 30.080 1.00 0.00 H ATOM 1798 H ALA A 114 19.158 70.414 26.419 1.00 0.00 H ATOM 1799 N ASN A 115 16.989 69.862 29.516 1.00 62.04 N ATOM 1800 CA ASN A 115 15.619 70.255 29.823 1.00 62.04 C ATOM 1801 C ASN A 115 14.792 70.438 28.563 1.00 62.04 C ATOM 1802 O ASN A 115 14.073 71.427 28.414 1.00 62.04 O ATOM 1803 CB ASN A 115 15.617 71.556 30.625 1.00 99.62 C ATOM 1804 CG ASN A 115 16.545 71.501 31.817 1.00 99.62 C ATOM 1805 OD1 ASN A 115 16.429 70.621 32.667 1.00 99.62 O ATOM 1806 ND2 ASN A 115 17.475 72.445 31.886 1.00 99.62 N ATOM 1807 HA ASN A 115 15.170 69.454 30.411 1.00 0.00 H ATOM 1808 HB2 ASN A 115 15.933 72.370 29.973 1.00 0.00 H ATOM 1809 HB3 ASN A 115 14.604 71.748 30.979 1.00 0.00 H ATOM 1810 HD22 ASN A 115 17.536 73.170 31.143 1.00 0.00 H ATOM 1811 HD21 ASN A 115 18.143 72.460 32.683 1.00 0.00 H ATOM 1812 H ASN A 115 17.351 68.958 29.881 1.00 0.00 H ATOM 1813 N ASP A 116 14.905 69.475 27.659 1.00 66.80 N ATOM 1814 CA ASP A 116 14.177 69.490 26.397 1.00 66.80 C ATOM 1815 C ASP A 116 14.566 70.688 25.517 1.00 66.80 C ATOM 1816 O ASP A 116 13.872 71.024 24.554 1.00 66.80 O ATOM 1817 CB ASP A 116 12.666 69.477 26.660 1.00100.91 C ATOM 1818 CG ASP A 116 11.868 68.959 25.470 1.00100.91 C ATOM 1819 OD1 ASP A 116 11.921 69.579 24.387 1.00100.91 O ATOM 1820 OD2 ASP A 116 11.189 67.921 25.620 1.00100.91 O ATOM 1821 HA ASP A 116 14.452 68.590 25.847 1.00 0.00 H ATOM 1822 HB2 ASP A 116 12.467 68.837 27.520 1.00 0.00 H ATOM 1823 HB3 ASP A 116 12.341 70.493 26.882 1.00 0.00 H ATOM 1824 H ASP A 116 15.540 68.676 27.859 1.00 0.00 H ATOM 1825 N GLU A 117 15.671 71.344 25.866 1.00 30.67 N ATOM 1826 CA GLU A 117 16.175 72.455 25.065 1.00 30.67 C ATOM 1827 C GLU A 117 17.523 72.045 24.487 1.00 30.67 C ATOM 1828 O GLU A 117 18.340 71.436 25.166 1.00 30.67 O ATOM 1829 CB GLU A 117 16.377 73.724 25.886 1.00 46.29 C ATOM 1830 CG GLU A 117 15.127 74.373 26.398 1.00 46.29 C ATOM 1831 CD GLU A 117 15.408 75.778 26.885 1.00 46.29 C ATOM 1832 OE1 GLU A 117 16.353 75.945 27.689 1.00 46.29 O ATOM 1833 OE2 GLU A 117 14.689 76.713 26.461 1.00 46.29 O ATOM 1834 HA GLU A 117 15.439 72.672 24.291 1.00 0.00 H ATOM 1835 HB2 GLU A 117 17.000 73.472 26.744 1.00 0.00 H ATOM 1836 HB3 GLU A 117 16.899 74.448 25.260 1.00 0.00 H ATOM 1837 HG2 GLU A 117 14.391 74.414 25.595 1.00 0.00 H ATOM 1838 HG3 GLU A 117 14.730 73.782 27.223 1.00 0.00 H ATOM 1839 H GLU A 117 16.184 71.060 26.725 1.00 0.00 H ATOM 1840 N LEU A 118 17.752 72.379 23.228 1.00 22.81 N ATOM 1841 CA LEU A 118 19.006 72.042 22.584 1.00 22.81 C ATOM 1842 C LEU A 118 19.953 73.244 22.601 1.00 22.81 C ATOM 1843 O LEU A 118 19.725 74.218 21.891 1.00 22.81 O ATOM 1844 CB LEU A 118 18.733 71.600 21.147 1.00 28.18 C ATOM 1845 CG LEU A 118 19.925 71.143 20.310 1.00 28.18 C ATOM 1846 CD1 LEU A 118 20.640 70.017 21.035 1.00 28.18 C ATOM 1847 CD2 LEU A 118 19.444 70.668 18.947 1.00 28.18 C ATOM 1848 HA LEU A 118 19.482 71.226 23.127 1.00 0.00 H ATOM 1849 HB2 LEU A 118 18.027 70.771 21.189 1.00 0.00 H ATOM 1850 HB3 LEU A 118 18.273 72.441 20.628 1.00 0.00 H ATOM 1851 HG LEU A 118 20.615 71.975 20.167 1.00 0.00 H ATOM 1852 HD21 LEU A 118 18.753 69.835 19.077 1.00 0.00 H ATOM 1853 HD22 LEU A 118 18.937 71.487 18.437 1.00 0.00 H ATOM 1854 HD23 LEU A 118 20.299 70.343 18.354 1.00 0.00 H ATOM 1855 HD11 LEU A 118 20.988 70.374 22.004 1.00 0.00 H ATOM 1856 HD12 LEU A 118 19.952 69.184 21.179 1.00 0.00 H ATOM 1857 HD13 LEU A 118 21.492 69.687 20.441 1.00 0.00 H ATOM 1858 H LEU A 118 17.022 72.891 22.692 1.00 0.00 H ATOM 1859 N ILE A 119 20.997 73.177 23.429 1.00 15.32 N ATOM 1860 CA ILE A 119 21.995 74.244 23.518 1.00 15.32 C ATOM 1861 C ILE A 119 23.156 73.987 22.531 1.00 15.32 C ATOM 1862 O ILE A 119 23.912 73.022 22.681 1.00 15.32 O ATOM 1863 CB ILE A 119 22.611 74.371 24.958 1.00 23.93 C ATOM 1864 CG1 ILE A 119 21.569 74.836 25.983 1.00 23.93 C ATOM 1865 CG2 ILE A 119 23.734 75.386 24.948 1.00 23.93 C ATOM 1866 CD1 ILE A 119 20.491 73.835 26.289 1.00 23.93 C ATOM 1867 HA ILE A 119 21.472 75.168 23.272 1.00 0.00 H ATOM 1868 HB ILE A 119 22.976 73.383 25.240 1.00 0.00 H ATOM 1869 HG12 ILE A 119 22.089 75.069 26.912 1.00 0.00 H ATOM 1870 HG13 ILE A 119 21.094 75.738 25.598 1.00 0.00 H ATOM 1871 HD11 ILE A 119 19.947 73.598 25.375 1.00 0.00 H ATOM 1872 HD12 ILE A 119 20.943 72.928 26.690 1.00 0.00 H ATOM 1873 HD13 ILE A 119 19.804 74.256 27.023 1.00 0.00 H ATOM 1874 HG21 ILE A 119 24.508 75.063 24.252 1.00 0.00 H ATOM 1875 HG22 ILE A 119 23.344 76.355 24.636 1.00 0.00 H ATOM 1876 HG23 ILE A 119 24.156 75.469 25.950 1.00 0.00 H ATOM 1877 H ILE A 119 21.106 72.337 24.032 1.00 0.00 H ATOM 1878 N LEU A 120 23.290 74.850 21.526 1.00 21.69 N ATOM 1879 CA LEU A 120 24.359 74.729 20.536 1.00 21.69 C ATOM 1880 C LEU A 120 25.427 75.761 20.857 1.00 21.69 C ATOM 1881 O LEU A 120 25.110 76.909 21.157 1.00 21.69 O ATOM 1882 CB LEU A 120 23.826 74.975 19.117 1.00 7.48 C ATOM 1883 CG LEU A 120 24.852 75.038 17.978 1.00 7.48 C ATOM 1884 CD1 LEU A 120 25.698 73.770 17.928 1.00 7.48 C ATOM 1885 CD2 LEU A 120 24.126 75.243 16.665 1.00 7.48 C ATOM 1886 HA LEU A 120 24.770 73.720 20.575 1.00 0.00 H ATOM 1887 HB2 LEU A 120 23.129 74.170 18.885 1.00 0.00 H ATOM 1888 HB3 LEU A 120 23.291 75.925 19.128 1.00 0.00 H ATOM 1889 HG LEU A 120 25.526 75.876 18.157 1.00 0.00 H ATOM 1890 HD21 LEU A 120 23.441 74.412 16.496 1.00 0.00 H ATOM 1891 HD22 LEU A 120 23.564 76.176 16.704 1.00 0.00 H ATOM 1892 HD23 LEU A 120 24.852 75.288 15.853 1.00 0.00 H ATOM 1893 HD11 LEU A 120 26.231 73.653 18.871 1.00 0.00 H ATOM 1894 HD12 LEU A 120 25.050 72.909 17.766 1.00 0.00 H ATOM 1895 HD13 LEU A 120 26.415 73.845 17.111 1.00 0.00 H ATOM 1896 H LEU A 120 22.613 75.635 21.443 1.00 0.00 H ATOM 1897 N THR A 121 26.689 75.349 20.795 1.00 20.26 N ATOM 1898 CA THR A 121 27.798 76.243 21.085 1.00 20.26 C ATOM 1899 C THR A 121 28.851 76.232 19.995 1.00 20.26 C ATOM 1900 O THR A 121 29.285 75.174 19.560 1.00 20.26 O ATOM 1901 CB THR A 121 28.494 75.863 22.414 1.00 10.16 C ATOM 1902 OG1 THR A 121 27.595 76.087 23.505 1.00 10.16 O ATOM 1903 CG2 THR A 121 29.749 76.701 22.624 1.00 10.16 C ATOM 1904 HA THR A 121 27.360 77.239 21.154 1.00 0.00 H ATOM 1905 HB THR A 121 28.775 74.811 22.368 1.00 0.00 H ATOM 1906 HG1 THR A 121 26.786 75.529 23.384 1.00 0.00 H ATOM 1907 HG23 THR A 121 30.438 76.535 21.796 1.00 0.00 H ATOM 1908 HG21 THR A 121 29.477 77.756 22.666 1.00 0.00 H ATOM 1909 HG22 THR A 121 30.226 76.410 23.560 1.00 0.00 H ATOM 1910 H THR A 121 26.888 74.363 20.533 1.00 0.00 H ATOM 1911 N PHE A 122 29.256 77.413 19.553 1.00 22.23 N ATOM 1912 CA PHE A 122 30.294 77.533 18.544 1.00 22.23 C ATOM 1913 C PHE A 122 31.452 78.282 19.165 1.00 22.23 C ATOM 1914 O PHE A 122 31.274 79.371 19.710 1.00 22.23 O ATOM 1915 CB PHE A 122 29.803 78.313 17.330 1.00 12.15 C ATOM 1916 CG PHE A 122 28.853 77.553 16.463 1.00 12.15 C ATOM 1917 CD1 PHE A 122 29.247 76.364 15.866 1.00 12.15 C ATOM 1918 CD2 PHE A 122 27.585 78.053 16.194 1.00 12.15 C ATOM 1919 CE1 PHE A 122 28.403 75.685 15.009 1.00 12.15 C ATOM 1920 CE2 PHE A 122 26.726 77.374 15.332 1.00 12.15 C ATOM 1921 CZ PHE A 122 27.142 76.184 14.736 1.00 12.15 C ATOM 1922 HA PHE A 122 30.586 76.537 18.211 1.00 0.00 H ATOM 1923 HB2 PHE A 122 29.301 79.214 17.682 1.00 0.00 H ATOM 1924 HB3 PHE A 122 30.668 78.592 16.729 1.00 0.00 H ATOM 1925 HD2 PHE A 122 27.260 78.983 16.660 1.00 0.00 H ATOM 1926 HE2 PHE A 122 25.733 77.772 15.124 1.00 0.00 H ATOM 1927 HZ PHE A 122 26.477 75.649 14.058 1.00 0.00 H ATOM 1928 HE1 PHE A 122 28.731 74.754 14.547 1.00 0.00 H ATOM 1929 HD1 PHE A 122 30.237 75.960 16.076 1.00 0.00 H ATOM 1930 H PHE A 122 28.820 78.275 19.938 1.00 0.00 H ATOM 1931 N GLY A 123 32.638 77.691 19.099 1.00 17.78 N ATOM 1932 CA GLY A 123 33.811 78.342 19.641 1.00 17.78 C ATOM 1933 C GLY A 123 34.787 78.672 18.530 1.00 17.78 C ATOM 1934 O GLY A 123 34.999 77.870 17.621 1.00 17.78 O ATOM 1935 HA3 GLY A 123 34.293 77.678 20.358 1.00 0.00 H ATOM 1936 HA2 GLY A 123 33.513 79.262 20.144 1.00 0.00 H ATOM 1937 H GLY A 123 32.725 76.755 18.655 1.00 0.00 H ATOM 1938 N ALA A 124 35.349 79.871 18.579 1.00 35.90 N ATOM 1939 CA ALA A 124 36.343 80.317 17.609 1.00 35.90 C ATOM 1940 C ALA A 124 37.366 80.969 18.528 1.00 35.90 C ATOM 1941 O ALA A 124 37.259 82.153 18.852 1.00 35.90 O ATOM 1942 CB ALA A 124 35.740 81.332 16.653 1.00 24.80 C ATOM 1943 HA ALA A 124 36.747 79.530 16.972 1.00 0.00 H ATOM 1944 HB1 ALA A 124 34.906 80.876 16.120 1.00 0.00 H ATOM 1945 HB2 ALA A 124 35.385 82.194 17.217 1.00 0.00 H ATOM 1946 HB3 ALA A 124 36.498 81.651 15.938 1.00 0.00 H ATOM 1947 H ALA A 124 35.070 80.521 19.341 1.00 0.00 H ATOM 1948 N ASP A 125 38.340 80.176 18.968 1.00 46.41 N ATOM 1949 CA ASP A 125 39.345 80.641 19.913 1.00 46.41 C ATOM 1950 C ASP A 125 38.638 81.122 21.178 1.00 46.41 C ATOM 1951 O ASP A 125 37.841 80.388 21.760 1.00 46.41 O ATOM 1952 CB ASP A 125 40.203 81.759 19.317 1.00 60.98 C ATOM 1953 CG ASP A 125 41.144 81.256 18.243 1.00 60.98 C ATOM 1954 OD1 ASP A 125 41.866 80.272 18.504 1.00 60.98 O ATOM 1955 OD2 ASP A 125 41.175 81.851 17.148 1.00 60.98 O ATOM 1956 HA ASP A 125 40.017 79.817 20.151 1.00 0.00 H ATOM 1957 HB2 ASP A 125 39.545 82.511 18.882 1.00 0.00 H ATOM 1958 HB3 ASP A 125 40.792 82.211 20.115 1.00 0.00 H ATOM 1959 H ASP A 125 38.385 79.195 18.626 1.00 0.00 H ATOM 1960 N ASP A 126 38.905 82.355 21.597 1.00 68.26 N ATOM 1961 CA ASP A 126 38.293 82.889 22.809 1.00 68.26 C ATOM 1962 C ASP A 126 36.802 83.186 22.707 1.00 68.26 C ATOM 1963 O ASP A 126 36.104 83.213 23.720 1.00 68.26 O ATOM 1964 CB ASP A 126 39.025 84.157 23.246 1.00100.97 C ATOM 1965 CG ASP A 126 40.477 83.902 23.567 1.00100.97 C ATOM 1966 OD1 ASP A 126 40.751 83.057 24.447 1.00100.97 O ATOM 1967 OD2 ASP A 126 41.344 84.545 22.940 1.00100.97 O ATOM 1968 HA ASP A 126 38.390 82.093 23.548 1.00 0.00 H ATOM 1969 HB2 ASP A 126 38.968 84.890 22.441 1.00 0.00 H ATOM 1970 HB3 ASP A 126 38.535 84.556 24.134 1.00 0.00 H ATOM 1971 H ASP A 126 39.561 82.949 21.051 1.00 0.00 H ATOM 1972 N VAL A 127 36.315 83.403 21.491 1.00 34.77 N ATOM 1973 CA VAL A 127 34.907 83.725 21.273 1.00 34.77 C ATOM 1974 C VAL A 127 33.975 82.510 21.376 1.00 34.77 C ATOM 1975 O VAL A 127 34.258 81.441 20.837 1.00 34.77 O ATOM 1976 CB VAL A 127 34.716 84.400 19.890 1.00 31.42 C ATOM 1977 CG1 VAL A 127 33.290 84.935 19.746 1.00 31.42 C ATOM 1978 CG2 VAL A 127 35.733 85.517 19.724 1.00 31.42 C ATOM 1979 HA VAL A 127 34.630 84.410 22.075 1.00 0.00 H ATOM 1980 HB VAL A 127 34.875 83.660 19.106 1.00 0.00 H ATOM 1981 HG11 VAL A 127 32.583 84.111 19.839 1.00 0.00 H ATOM 1982 HG12 VAL A 127 33.098 85.669 20.528 1.00 0.00 H ATOM 1983 HG13 VAL A 127 33.176 85.405 18.769 1.00 0.00 H ATOM 1984 HG21 VAL A 127 35.590 86.257 20.512 1.00 0.00 H ATOM 1985 HG22 VAL A 127 36.739 85.103 19.790 1.00 0.00 H ATOM 1986 HG23 VAL A 127 35.596 85.989 18.751 1.00 0.00 H ATOM 1987 H VAL A 127 36.953 83.342 20.672 1.00 0.00 H ATOM 1988 N VAL A 128 32.861 82.693 22.080 1.00 26.53 N ATOM 1989 CA VAL A 128 31.877 81.634 22.263 1.00 26.53 C ATOM 1990 C VAL A 128 30.478 82.112 21.859 1.00 26.53 C ATOM 1991 O VAL A 128 29.988 83.127 22.344 1.00 26.53 O ATOM 1992 CB VAL A 128 31.815 81.157 23.745 1.00 18.55 C ATOM 1993 CG1 VAL A 128 30.850 79.992 23.880 1.00 18.55 C ATOM 1994 CG2 VAL A 128 33.183 80.749 24.224 1.00 18.55 C ATOM 1995 HA VAL A 128 32.191 80.806 21.628 1.00 0.00 H ATOM 1996 HB VAL A 128 31.461 81.984 24.360 1.00 0.00 H ATOM 1997 HG11 VAL A 128 29.856 80.307 23.564 1.00 0.00 H ATOM 1998 HG12 VAL A 128 31.188 79.167 23.253 1.00 0.00 H ATOM 1999 HG13 VAL A 128 30.816 79.669 24.920 1.00 0.00 H ATOM 2000 HG21 VAL A 128 33.556 79.934 23.604 1.00 0.00 H ATOM 2001 HG22 VAL A 128 33.860 81.600 24.153 1.00 0.00 H ATOM 2002 HG23 VAL A 128 33.120 80.419 25.261 1.00 0.00 H ATOM 2003 H VAL A 128 32.687 83.622 22.514 1.00 0.00 H ATOM 2004 N CYS A 129 29.845 81.366 20.968 1.00 18.50 N ATOM 2005 CA CYS A 129 28.509 81.686 20.507 1.00 18.50 C ATOM 2006 C CYS A 129 27.544 80.645 21.071 1.00 18.50 C ATOM 2007 O CYS A 129 27.784 79.445 20.953 1.00 18.50 O ATOM 2008 CB CYS A 129 28.475 81.665 18.980 1.00 22.32 C ATOM 2009 SG CYS A 129 26.814 81.726 18.276 1.00 22.32 S ATOM 2010 HA CYS A 129 28.218 82.680 20.846 1.00 0.00 H ATOM 2011 HB2 CYS A 129 28.957 80.749 18.640 1.00 0.00 H ATOM 2012 HB3 CYS A 129 29.034 82.526 18.613 1.00 0.00 H ATOM 2013 HG CYS A 129 26.187 82.887 18.680 1.00 0.00 H ATOM 2014 H CYS A 129 30.321 80.524 20.587 1.00 0.00 H ATOM 2015 N THR A 130 26.460 81.095 21.693 1.00 13.93 N ATOM 2016 CA THR A 130 25.485 80.170 22.258 1.00 13.93 C ATOM 2017 C THR A 130 24.117 80.304 21.600 1.00 13.93 C ATOM 2018 O THR A 130 23.529 81.383 21.609 1.00 13.93 O ATOM 2019 CB THR A 130 25.296 80.404 23.756 1.00 18.05 C ATOM 2020 OG1 THR A 130 26.556 80.315 24.413 1.00 18.05 O ATOM 2021 CG2 THR A 130 24.369 79.358 24.343 1.00 18.05 C ATOM 2022 HA THR A 130 25.886 79.173 22.075 1.00 0.00 H ATOM 2023 HB THR A 130 24.862 81.393 23.900 1.00 0.00 H ATOM 2024 HG1 THR A 130 26.432 80.467 25.383 1.00 0.00 H ATOM 2025 HG23 THR A 130 23.399 79.415 23.848 1.00 0.00 H ATOM 2026 HG21 THR A 130 24.798 78.368 24.191 1.00 0.00 H ATOM 2027 HG22 THR A 130 24.245 79.542 25.410 1.00 0.00 H ATOM 2028 H THR A 130 26.305 82.120 21.778 1.00 0.00 H ATOM 2029 N ARG A 131 23.611 79.207 21.038 1.00 14.29 N ATOM 2030 CA ARG A 131 22.299 79.214 20.399 1.00 14.29 C ATOM 2031 C ARG A 131 21.385 78.178 21.060 1.00 14.29 C ATOM 2032 O ARG A 131 21.699 76.989 21.087 1.00 14.29 O ATOM 2033 CB ARG A 131 22.454 78.955 18.898 1.00 20.73 C ATOM 2034 CG ARG A 131 23.207 80.083 18.203 1.00 20.73 C ATOM 2035 CD ARG A 131 23.755 79.680 16.850 1.00 20.73 C ATOM 2036 NE ARG A 131 22.747 79.554 15.806 1.00 20.73 N ATOM 2037 CZ ARG A 131 22.157 80.578 15.197 1.00 20.73 C ATOM 2038 NH1 ARG A 131 22.467 81.827 15.526 1.00 20.73 N ATOM 2039 NH2 ARG A 131 21.266 80.349 14.243 1.00 20.73 N ATOM 2040 HA ARG A 131 21.835 80.192 20.527 1.00 0.00 H ATOM 2041 HB2 ARG A 131 23.003 78.024 18.755 1.00 0.00 H ATOM 2042 HB3 ARG A 131 21.464 78.864 18.451 1.00 0.00 H ATOM 2043 HG2 ARG A 131 22.526 80.923 18.067 1.00 0.00 H ATOM 2044 HG3 ARG A 131 24.038 80.390 18.838 1.00 0.00 H ATOM 2045 HD2 ARG A 131 24.257 78.718 16.958 1.00 0.00 H ATOM 2046 HD3 ARG A 131 24.478 80.433 16.537 1.00 0.00 H ATOM 2047 HE ARG A 131 22.469 78.595 15.516 1.00 0.00 H ATOM 2048 HH12 ARG A 131 22.001 82.622 15.045 1.00 0.00 H ATOM 2049 HH11 ARG A 131 23.176 82.009 16.265 1.00 0.00 H ATOM 2050 HH22 ARG A 131 20.801 81.146 13.763 1.00 0.00 H ATOM 2051 HH21 ARG A 131 21.031 79.372 13.974 1.00 0.00 H ATOM 2052 H ARG A 131 24.163 78.326 21.055 1.00 0.00 H ATOM 2053 N ILE A 132 20.266 78.641 21.620 1.00 18.32 N ATOM 2054 CA ILE A 132 19.309 77.758 22.294 1.00 18.32 C ATOM 2055 C ILE A 132 18.167 77.359 21.346 1.00 18.32 C ATOM 2056 O ILE A 132 17.585 78.209 20.672 1.00 18.32 O ATOM 2057 CB ILE A 132 18.663 78.450 23.517 1.00 24.08 C ATOM 2058 CG1 ILE A 132 19.723 79.140 24.379 1.00 24.08 C ATOM 2059 CG2 ILE A 132 17.926 77.410 24.362 1.00 24.08 C ATOM 2060 CD1 ILE A 132 20.628 78.204 25.125 1.00 24.08 C ATOM 2061 HA ILE A 132 19.873 76.881 22.611 1.00 0.00 H ATOM 2062 HB ILE A 132 17.963 79.203 23.155 1.00 0.00 H ATOM 2063 HG12 ILE A 132 20.338 79.762 23.729 1.00 0.00 H ATOM 2064 HG13 ILE A 132 19.212 79.771 25.106 1.00 0.00 H ATOM 2065 HD11 ILE A 132 20.033 77.581 25.793 1.00 0.00 H ATOM 2066 HD12 ILE A 132 21.160 77.572 24.414 1.00 0.00 H ATOM 2067 HD13 ILE A 132 21.345 78.782 25.708 1.00 0.00 H ATOM 2068 HG21 ILE A 132 17.150 76.938 23.759 1.00 0.00 H ATOM 2069 HG22 ILE A 132 18.633 76.654 24.703 1.00 0.00 H ATOM 2070 HG23 ILE A 132 17.471 77.900 25.223 1.00 0.00 H ATOM 2071 H ILE A 132 20.066 79.661 21.577 1.00 0.00 H ATOM 2072 N TYR A 133 17.848 76.072 21.284 1.00 28.60 N ATOM 2073 CA TYR A 133 16.756 75.621 20.430 1.00 28.60 C ATOM 2074 C TYR A 133 15.696 74.909 21.244 1.00 28.60 C ATOM 2075 O TYR A 133 15.986 74.315 22.279 1.00 28.60 O ATOM 2076 CB TYR A 133 17.240 74.666 19.335 1.00 13.86 C ATOM 2077 CG TYR A 133 18.049 75.298 18.231 1.00 13.86 C ATOM 2078 CD1 TYR A 133 19.397 75.641 18.415 1.00 13.86 C ATOM 2079 CD2 TYR A 133 17.473 75.520 16.981 1.00 13.86 C ATOM 2080 CE1 TYR A 133 20.147 76.181 17.364 1.00 13.86 C ATOM 2081 CE2 TYR A 133 18.199 76.052 15.939 1.00 13.86 C ATOM 2082 CZ TYR A 133 19.529 76.374 16.130 1.00 13.86 C ATOM 2083 OH TYR A 133 20.230 76.860 15.057 1.00 13.86 O ATOM 2084 HA TYR A 133 16.340 76.515 19.965 1.00 0.00 H ATOM 2085 HB3 TYR A 133 16.364 74.200 18.884 1.00 0.00 H ATOM 2086 HB2 TYR A 133 17.856 73.900 19.806 1.00 0.00 H ATOM 2087 HD2 TYR A 133 16.424 75.267 16.825 1.00 0.00 H ATOM 2088 HE2 TYR A 133 17.728 76.218 14.970 1.00 0.00 H ATOM 2089 HE1 TYR A 133 21.195 76.446 17.508 1.00 0.00 H ATOM 2090 HD1 TYR A 133 19.865 75.485 19.387 1.00 0.00 H ATOM 2091 HH TYR A 133 21.163 77.048 15.331 1.00 0.00 H ATOM 2092 H TYR A 133 18.381 75.380 21.849 1.00 0.00 H ATOM 2093 N VAL A 134 14.464 74.973 20.763 1.00 23.42 N ATOM 2094 CA VAL A 134 13.344 74.326 21.427 1.00 23.42 C ATOM 2095 C VAL A 134 12.667 73.424 20.406 1.00 23.42 C ATOM 2096 O VAL A 134 12.769 73.674 19.201 1.00 23.42 O ATOM 2097 CB VAL A 134 12.342 75.381 21.957 1.00 34.69 C ATOM 2098 CG1 VAL A 134 11.039 74.716 22.374 1.00 34.69 C ATOM 2099 CG2 VAL A 134 12.948 76.099 23.145 1.00 34.69 C ATOM 2100 HA VAL A 134 13.694 73.746 22.281 1.00 0.00 H ATOM 2101 HB VAL A 134 12.130 76.096 21.162 1.00 0.00 H ATOM 2102 HG11 VAL A 134 10.600 74.210 21.514 1.00 0.00 H ATOM 2103 HG12 VAL A 134 11.239 73.990 23.162 1.00 0.00 H ATOM 2104 HG13 VAL A 134 10.348 75.474 22.744 1.00 0.00 H ATOM 2105 HG21 VAL A 134 13.167 75.377 23.932 1.00 0.00 H ATOM 2106 HG22 VAL A 134 13.869 76.594 22.838 1.00 0.00 H ATOM 2107 HG23 VAL A 134 12.242 76.841 23.518 1.00 0.00 H ATOM 2108 H VAL A 134 14.292 75.502 19.884 1.00 0.00 H ATOM 2109 N ARG A 135 11.995 72.375 20.876 1.00 39.06 N ATOM 2110 CA ARG A 135 11.310 71.470 19.962 1.00 39.06 C ATOM 2111 C ARG A 135 10.094 72.103 19.338 1.00 39.06 C ATOM 2112 O ARG A 135 9.119 72.397 20.021 1.00 39.06 O ATOM 2113 CB ARG A 135 10.881 70.174 20.647 1.00 38.00 C ATOM 2114 CG ARG A 135 11.995 69.170 20.809 1.00 38.00 C ATOM 2115 CD ARG A 135 11.451 67.758 20.716 1.00 38.00 C ATOM 2116 NE ARG A 135 12.510 66.757 20.726 1.00 38.00 N ATOM 2117 CZ ARG A 135 13.278 66.493 21.777 1.00 38.00 C ATOM 2118 NH1 ARG A 135 13.113 67.154 22.917 1.00 38.00 N ATOM 2119 NH2 ARG A 135 14.219 65.565 21.684 1.00 38.00 N ATOM 2120 HA ARG A 135 12.038 71.243 19.183 1.00 0.00 H ATOM 2121 HB2 ARG A 135 10.494 70.420 21.636 1.00 0.00 H ATOM 2122 HB3 ARG A 135 10.090 69.717 20.052 1.00 0.00 H ATOM 2123 HG2 ARG A 135 12.734 69.323 20.023 1.00 0.00 H ATOM 2124 HG3 ARG A 135 12.467 69.310 21.782 1.00 0.00 H ATOM 2125 HD2 ARG A 135 10.884 67.660 19.790 1.00 0.00 H ATOM 2126 HD3 ARG A 135 10.791 67.579 21.565 1.00 0.00 H ATOM 2127 HE ARG A 135 12.675 66.214 19.854 1.00 0.00 H ATOM 2128 HH12 ARG A 135 13.719 66.940 23.735 1.00 0.00 H ATOM 2129 HH11 ARG A 135 12.378 67.885 22.992 1.00 0.00 H ATOM 2130 HH22 ARG A 135 14.824 65.354 22.503 1.00 0.00 H ATOM 2131 HH21 ARG A 135 14.353 65.048 20.792 1.00 0.00 H ATOM 2132 H ARG A 135 11.959 72.201 21.901 1.00 0.00 H ATOM 2133 N GLU A 136 10.164 72.309 18.031 1.00101.16 N ATOM 2134 CA GLU A 136 9.065 72.896 17.290 1.00101.16 C ATOM 2135 C GLU A 136 7.892 71.925 17.337 1.00101.16 C ATOM 2136 O GLU A 136 6.795 72.342 17.765 1.00 58.05 O ATOM 2137 CB GLU A 136 9.498 73.150 15.847 1.00101.16 C ATOM 2138 CG GLU A 136 8.442 73.779 14.962 1.00101.16 C ATOM 2139 CD GLU A 136 8.979 74.120 13.582 1.00101.16 C ATOM 2140 OE1 GLU A 136 9.893 74.973 13.493 1.00101.16 O ATOM 2141 OE2 GLU A 136 8.492 73.534 12.589 1.00101.16 O ATOM 2142 HA GLU A 136 8.769 73.849 17.728 1.00 0.00 H ATOM 2143 OXT GLU A 136 8.089 70.754 16.954 1.00 65.30 O ATOM 2144 HB2 GLU A 136 10.363 73.813 15.865 1.00 0.00 H ATOM 2145 HB3 GLU A 136 9.783 72.195 15.406 1.00 0.00 H ATOM 2146 HG2 GLU A 136 7.613 73.080 14.854 1.00 0.00 H ATOM 2147 HG3 GLU A 136 8.085 74.693 15.436 1.00 0.00 H ATOM 2148 H GLU A 136 11.031 72.042 17.523 1.00 0.00 H TER 2149 GLU A 136 HETATM 2150 O HOH 1 25.464 71.995 11.542 1.00 27.91 O HETATM 2151 O HOH 2 23.491 70.892 9.866 1.00 16.53 O HETATM 2152 O HOH 3 22.363 73.399 13.958 1.00 15.62 O HETATM 2153 O HOH 4 24.612 75.515 9.027 1.00 39.51 O HETATM 2154 O HOH 5 27.908 71.317 13.356 1.00 29.43 O HETATM 2155 O HOH 6 27.281 78.177 8.572 1.00 38.34 O HETATM 2156 O HOH 7 21.344 82.178 23.129 1.00 30.94 O HETATM 2157 O HOH 8 26.564 73.296 23.967 1.00 17.44 O HETATM 2158 C1 A A 80 29.076 81.955 5.470 1.00 -0.04 C HETATM 2159 C2 A A 80 29.393 82.331 4.009 1.00 -0.08 C HETATM 2160 C3 A A 80 28.465 83.473 3.493 1.00 -0.09 C HETATM 2161 C4 A A 80 27.004 83.007 3.391 1.00 -0.06 C HETATM 2162 C5 A A 80 26.534 82.256 4.697 1.00 -0.06 C HETATM 2163 C6 A A 80 25.159 82.075 4.984 1.00 -0.03 C HETATM 2164 C7 A A 80 24.738 81.432 6.156 1.00 0.02 C HETATM 2165 C8 A A 80 25.680 80.939 7.110 1.00 0.14 C HETATM 2166 C9 A A 80 27.062 81.126 6.881 1.00 0.02 C HETATM 2167 C10 A A 80 27.533 81.775 5.702 1.00 -0.04 C HETATM 2168 H7 A A 80 27.776 80.770 7.614 1.00 0.10 H HETATM 2169 N11 A A 80 25.285 80.239 8.301 1.00 -0.20 N HETATM 2170 C12 A A 80 24.004 79.995 8.707 1.00 0.25 C HETATM 2171 C13 A A 80 23.755 79.212 9.955 1.00 0.06 C HETATM 2172 C14 A A 80 24.839 78.747 10.741 1.00 -0.04 C HETATM 2173 C15 A A 80 24.588 77.972 11.892 1.00 -0.04 C HETATM 2174 C16 A A 80 23.255 77.658 12.265 1.00 0.01 C HETATM 2175 C17 A A 80 22.172 78.130 11.487 1.00 -0.04 C HETATM 2176 C18 A A 80 22.416 78.898 10.338 1.00 -0.04 C HETATM 2177 H12 A A 80 21.585 79.254 9.739 1.00 0.07 H HETATM 2178 H11 A A 80 21.154 77.898 11.778 1.00 0.07 H HETATM 2179 C19 A A 80 22.998 76.848 13.432 1.00 0.07 C HETATM 2180 O25 A A 80 23.259 75.616 13.409 1.00 -0.56 O HETATM 2181 O26 A A 80 22.295 77.300 14.345 1.00 -0.56 O HETATM 2182 H10 A A 80 25.416 77.615 12.494 1.00 0.07 H HETATM 2183 H9 A A 80 25.858 78.986 10.458 1.00 0.07 H HETATM 2184 O24 A A 80 23.030 80.396 8.050 1.00 -0.36 O HETATM 2185 H8 A A 80 26.018 79.898 8.889 1.00 0.25 H HETATM 2186 H6 A A 80 23.677 81.306 6.342 1.00 0.08 H HETATM 2187 H5 A A 80 24.417 82.441 4.283 1.00 0.09 H HETATM 2188 C22 A A 80 26.102 84.218 3.113 1.00 -0.09 C HETATM 2189 H19 A A 80 25.056 83.887 3.040 1.00 0.01 H HETATM 2190 H20 A A 80 26.404 84.691 2.167 1.00 0.01 H HETATM 2191 H21 A A 80 26.200 84.944 3.933 1.00 0.01 H HETATM 2192 C23 A A 80 26.894 82.064 2.186 1.00 -0.09 C HETATM 2193 H22 A A 80 27.530 81.182 2.352 1.00 0.01 H HETATM 2194 H23 A A 80 27.225 82.589 1.278 1.00 0.01 H HETATM 2195 H24 A A 80 25.848 81.745 2.064 1.00 0.01 H HETATM 2196 H3 A A 80 28.809 83.791 2.498 1.00 0.01 H HETATM 2197 H4 A A 80 28.522 84.322 4.190 1.00 0.01 H HETATM 2198 H1 A A 80 29.253 81.444 3.374 1.00 0.02 H HETATM 2199 H2 A A 80 30.439 82.666 3.946 1.00 0.02 H HETATM 2200 C20 A A 80 29.636 83.062 6.371 1.00 -0.08 C HETATM 2201 H13 A A 80 29.424 82.821 7.423 1.00 0.01 H HETATM 2202 H14 A A 80 29.162 84.020 6.112 1.00 0.01 H HETATM 2203 H15 A A 80 30.723 83.139 6.224 1.00 0.01 H HETATM 2204 C21 A A 80 29.801 80.662 5.844 1.00 -0.08 C HETATM 2205 H16 A A 80 29.427 79.838 5.218 1.00 0.01 H HETATM 2206 H17 A A 80 29.616 80.431 6.903 1.00 0.01 H HETATM 2207 H18 A A 80 30.881 80.787 5.679 1.00 0.01 H CONECT 2158 2159 2167 2200 2204 CONECT 2159 2158 2160 2198 2199 CONECT 2160 2159 2161 2196 2197 CONECT 2161 2160 2162 2188 2192 CONECT 2162 2161 2163 2167 CONECT 2163 2162 2164 2187 CONECT 2164 2163 2165 2186 CONECT 2165 2164 2166 2169 CONECT 2166 2165 2167 2168 CONECT 2167 2158 2162 2166 CONECT 2168 2166 CONECT 2169 2165 2170 2185 CONECT 2170 2169 2171 2184 CONECT 2171 2170 2172 2176 CONECT 2172 2171 2173 2183 CONECT 2173 2172 2174 2182 CONECT 2174 2173 2175 2179 CONECT 2175 2174 2176 2178 CONECT 2176 2171 2175 2177 CONECT 2177 2176 CONECT 2178 2175 CONECT 2179 2174 2180 2181 CONECT 2180 2179 CONECT 2181 2179 CONECT 2182 2173 CONECT 2183 2172 CONECT 2184 2170 CONECT 2185 2169 CONECT 2186 2164 CONECT 2187 2163 CONECT 2188 2161 2189 2190 2191 CONECT 2189 2188 CONECT 2190 2188 CONECT 2191 2188 CONECT 2192 2161 2193 2194 2195 CONECT 2193 2192 CONECT 2194 2192 CONECT 2195 2192 CONECT 2196 2160 CONECT 2197 2160 CONECT 2198 2159 CONECT 2199 2159 CONECT 2200 2158 2201 2202 2203 CONECT 2201 2200 CONECT 2202 2200 CONECT 2203 2200 CONECT 2204 2158 2205 2206 2207 CONECT 2205 2204 CONECT 2206 2204 CONECT 2207 2204 MASTER 0 0 0 0 0 0 0 0 2206 1 50 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2cbr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1cbr
RCSB PDB
PDBbind
136aa, >1CBR_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2cbr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
crabp-i
Ligand Name
A80
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=140nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Acta Crystallogr., Sect.D v55 pp. 1850-7, 1999
Ligand Properties
Formula
C
2
2
H
2
5
NO
3
Molecular Weight
351.439
Exact Mass
351.183
No. of atoms
51
No. of bonds
53
Polar Surface Area
66.4
LOGP Value
6.49 (
Computed with XLOGP3
)
5.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
O=C(c1ccc(cc1)C(=O)O)Nc1ccc2c(c1)C(C)(C)CCC2(C)C
InChI String
InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
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UniProtKB AC
UniProt accession number (AC):
P62964
Entrez Gene ID
NCBI Entrez Gene ID:
282201
ASD
Information of known allosteric effects of PDB entries
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