Browse entries in the PDBbind-CN Database
HEADER 5IVJ_COMPLEX COMPND 5IVJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 72 GLU PHE VAL PRO PRO PRO GLU CYS PRO VAL PHE GLU PRO SEQRES 2 A 72 SER TRP GLU GLU PHE THR ASP PRO LEU SER PHE ILE GLY SEQRES 3 A 72 ARG ILE ARG PRO LEU ALA GLU LYS THR GLY ILE CYS LYS SEQRES 4 A 72 ILE ARG PRO PRO LYS ASP TRP GLN PRO PRO PHE ALA CYS SEQRES 5 A 72 GLU VAL LYS SER PHE ARG PHE THR PRO ARG VAL GLN ARG SEQRES 6 A 72 LEU ASN GLU LEU GLU ALA MET SEQRES 1 A 102 GLY PHE GLU GLN ALA VAL ARG GLU TYR THR LEU GLN SER SEQRES 2 A 102 PHE GLY GLU MET ALA ASP ASN PHE LYS SER ASP TYR PHE SEQRES 3 A 102 ASN MET PRO VAL HIS MET VAL PRO THR GLU LEU VAL GLU SEQRES 4 A 102 LYS GLU PHE TRP ARG LEU VAL SER SER ILE GLU GLU ASP SEQRES 5 A 102 VAL ILE VAL GLU TYR GLY ALA ASP ILE SER SER LYS ASP SEQRES 6 A 102 PHE GLY SER GLY PHE PRO VAL LYS ASP GLY ARG ARG LYS SEQRES 7 A 102 ILE LEU PRO GLU GLU GLU GLU TYR ALA LEU SER GLY TRP SEQRES 8 A 102 ASN LEU ASN ASN MET PRO VAL LEU GLU GLN SER SEQRES 1 A 122 LYS VAL PRO TRP LEU TYR VAL GLY MET CYS PHE SER SER SEQRES 2 A 122 PHE CYS TRP HIS ILE GLU ASP HIS TRP SER TYR SER ILE SEQRES 3 A 122 ASN TYR LEU HIS TRP GLY GLU PRO LYS THR TRP TYR GLY SEQRES 4 A 122 VAL PRO SER HIS ALA ALA GLU GLN LEU GLU GLU VAL MET SEQRES 5 A 122 ARG GLU LEU ALA PRO GLU LEU PHE GLU SER GLN PRO ASP SEQRES 6 A 122 LEU LEU HIS GLN LEU VAL THR ILE MET ASN PRO ASN VAL SEQRES 7 A 122 LEU MET GLU HIS GLY VAL PRO VAL TYR ARG THR ASN GLN SEQRES 8 A 122 CYS ALA GLY GLU PHE VAL VAL THR PHE PRO ARG ALA TYR SEQRES 9 A 122 HIS SER GLY PHE ASN GLN GLY TYR ASN PHE ALA GLU ALA SEQRES 10 A 122 VAL ASN PHE CYS THR HET MN A 1 1 HET UNN A 557 50 ATOM 1 N GLU A 12 -43.584 6.129 17.204 1.00 47.92 N ATOM 2 CA GLU A 12 -42.362 6.934 17.237 1.00 41.96 C ATOM 3 C GLU A 12 -41.406 6.515 16.120 1.00 22.49 C ATOM 4 O GLU A 12 -41.622 5.525 15.433 1.00 34.03 O ATOM 5 CB GLU A 12 -41.650 6.811 18.589 1.00 48.25 C ATOM 6 HN3 GLU A 12 -43.340 5.126 17.329 1.00 0.00 H ATOM 7 HN2 GLU A 12 -44.059 6.260 16.288 1.00 0.00 H ATOM 8 HN1 GLU A 12 -44.218 6.431 17.971 1.00 0.00 H ATOM 9 N PHE A 13 -40.367 7.316 15.957 1.00 35.55 N ATOM 10 CA PHE A 13 -39.381 7.088 14.911 1.00 24.07 C ATOM 11 C PHE A 13 -38.776 5.684 14.985 1.00 25.06 C ATOM 12 O PHE A 13 -38.391 5.209 16.063 1.00 28.09 O ATOM 13 CB PHE A 13 -38.293 8.136 15.049 1.00 32.42 C ATOM 14 CG PHE A 13 -37.333 8.138 13.945 1.00 21.34 C ATOM 15 CD1 PHE A 13 -37.727 8.562 12.686 1.00 18.02 C ATOM 16 CD2 PHE A 13 -36.026 7.736 14.152 1.00 18.03 C ATOM 17 CE1 PHE A 13 -36.850 8.573 11.629 1.00 20.67 C ATOM 18 CE2 PHE A 13 -35.129 7.763 13.096 1.00 22.07 C ATOM 19 CZ PHE A 13 -35.526 8.193 11.841 1.00 21.09 C ATOM 20 H PHE A 13 -40.251 8.131 16.593 1.00 0.00 H ATOM 21 N VAL A 14 -38.660 5.033 13.824 1.00 21.52 N ATOM 22 CA VAL A 14 -37.994 3.741 13.682 1.00 22.75 C ATOM 23 C VAL A 14 -36.627 3.988 13.039 1.00 22.90 C ATOM 24 O VAL A 14 -36.576 4.431 11.869 1.00 19.05 O ATOM 25 CB VAL A 14 -38.833 2.784 12.826 1.00 28.14 C ATOM 26 CG1 VAL A 14 -38.097 1.497 12.613 1.00 29.60 C ATOM 27 CG2 VAL A 14 -40.179 2.524 13.496 1.00 33.68 C ATOM 28 H VAL A 14 -39.067 5.471 12.973 1.00 0.00 H ATOM 29 N PRO A 15 -35.520 3.758 13.733 1.00 18.99 N ATOM 30 CA PRO A 15 -34.200 4.029 13.111 1.00 19.02 C ATOM 31 C PRO A 15 -33.976 3.176 11.871 1.00 18.28 C ATOM 32 O PRO A 15 -34.205 1.946 11.882 1.00 16.78 O ATOM 33 CB PRO A 15 -33.193 3.681 14.214 1.00 16.32 C ATOM 34 CG PRO A 15 -33.996 3.834 15.533 1.00 20.27 C ATOM 35 CD PRO A 15 -35.429 3.502 15.192 1.00 19.79 C ATOM 36 N PRO A 16 -33.530 3.785 10.762 1.00 15.86 N ATOM 37 CA PRO A 16 -33.078 2.992 9.602 1.00 16.39 C ATOM 38 C PRO A 16 -31.934 2.060 9.971 1.00 13.90 C ATOM 39 O PRO A 16 -31.236 2.241 10.994 1.00 15.06 O ATOM 40 CB PRO A 16 -32.587 4.048 8.608 1.00 12.67 C ATOM 41 CG PRO A 16 -33.398 5.320 8.972 1.00 12.79 C ATOM 42 CD PRO A 16 -33.519 5.233 10.514 1.00 13.85 C ATOM 43 N PRO A 17 -31.691 1.045 9.134 1.00 11.93 N ATOM 44 CA PRO A 17 -30.516 0.201 9.330 1.00 14.02 C ATOM 45 C PRO A 17 -29.230 0.982 9.240 1.00 14.99 C ATOM 46 O PRO A 17 -29.144 2.047 8.582 1.00 13.94 O ATOM 47 CB PRO A 17 -30.622 -0.821 8.184 1.00 15.93 C ATOM 48 CG PRO A 17 -31.428 -0.194 7.215 1.00 18.62 C ATOM 49 CD PRO A 17 -32.410 0.719 7.904 1.00 16.18 C ATOM 50 N GLU A 18 -28.227 0.463 9.944 1.00 13.66 N ATOM 51 CA GLU A 18 -26.900 1.086 9.936 1.00 13.15 C ATOM 52 C GLU A 18 -26.172 0.938 8.602 1.00 14.80 C ATOM 53 O GLU A 18 -26.181 -0.133 7.979 1.00 14.99 O ATOM 54 CB GLU A 18 -26.022 0.483 11.015 1.00 13.88 C ATOM 55 CG GLU A 18 -26.520 0.770 12.462 1.00 17.78 C ATOM 56 CD GLU A 18 -26.490 2.207 12.866 1.00 21.01 C ATOM 57 OE1 GLU A 18 -25.481 2.905 12.621 1.00 20.76 O ATOM 58 OE2 GLU A 18 -27.464 2.637 13.507 1.00 24.74 O ATOM 59 H GLU A 18 -28.387 -0.396 10.508 1.00 0.00 H ATOM 60 N CYS A 19 -25.510 2.036 8.175 1.00 11.85 N ATOM 61 CA CYS A 19 -24.632 2.009 7.017 1.00 13.57 C ATOM 62 C CYS A 19 -23.320 1.297 7.398 1.00 11.49 C ATOM 63 O CYS A 19 -22.987 1.051 8.584 1.00 16.64 O ATOM 64 CB CYS A 19 -24.395 3.469 6.538 1.00 14.29 C ATOM 65 SG CYS A 19 -23.131 4.328 7.434 1.00 15.74 S ATOM 66 H CYS A 19 -25.633 2.930 8.692 1.00 0.00 H ATOM 67 N PRO A 20 -22.526 0.923 6.393 1.00 11.14 N ATOM 68 CA PRO A 20 -21.240 0.269 6.656 1.00 13.26 C ATOM 69 C PRO A 20 -20.251 1.169 7.384 1.00 19.27 C ATOM 70 O PRO A 20 -20.173 2.369 7.133 1.00 14.58 O ATOM 71 CB PRO A 20 -20.725 -0.077 5.252 1.00 17.44 C ATOM 72 CG PRO A 20 -21.881 0.067 4.364 1.00 17.75 C ATOM 73 CD PRO A 20 -22.805 1.052 4.940 1.00 13.55 C ATOM 74 N VAL A 21 -19.486 0.574 8.302 1.00 14.80 N ATOM 75 CA VAL A 21 -18.354 1.216 8.942 1.00 13.26 C ATOM 76 C VAL A 21 -17.121 0.417 8.611 1.00 18.00 C ATOM 77 O VAL A 21 -17.095 -0.806 8.811 1.00 18.92 O ATOM 78 CB VAL A 21 -18.540 1.272 10.472 1.00 20.29 C ATOM 79 CG1 VAL A 21 -17.422 2.102 11.110 1.00 20.04 C ATOM 80 CG2 VAL A 21 -19.898 1.785 10.792 1.00 27.87 C ATOM 81 H VAL A 21 -19.714 -0.404 8.573 1.00 0.00 H ATOM 82 N PHE A 22 -16.097 1.091 8.139 1.00 14.22 N ATOM 83 CA PHE A 22 -14.825 0.475 7.824 1.00 17.53 C ATOM 84 C PHE A 22 -13.771 0.920 8.813 1.00 18.99 C ATOM 85 O PHE A 22 -13.776 2.057 9.282 1.00 18.08 O ATOM 86 CB PHE A 22 -14.394 0.808 6.380 1.00 20.25 C ATOM 87 CG PHE A 22 -15.375 0.356 5.379 1.00 18.53 C ATOM 88 CD1 PHE A 22 -15.433 -0.990 5.024 1.00 20.60 C ATOM 89 CD2 PHE A 22 -16.278 1.237 4.827 1.00 14.92 C ATOM 90 CE1 PHE A 22 -16.373 -1.423 4.068 1.00 18.48 C ATOM 91 CE2 PHE A 22 -17.210 0.821 3.913 1.00 14.97 C ATOM 92 CZ PHE A 22 -17.257 -0.531 3.541 1.00 15.31 C ATOM 93 H PHE A 22 -16.205 2.114 7.985 1.00 0.00 H ATOM 94 N GLU A 23 -12.883 -0.011 9.149 1.00 18.19 N ATOM 95 CA GLU A 23 -11.769 0.241 10.076 1.00 19.55 C ATOM 96 C GLU A 23 -10.481 -0.157 9.368 1.00 22.79 C ATOM 97 O GLU A 23 -9.936 -1.237 9.620 1.00 27.48 O ATOM 98 CB GLU A 23 -11.970 -0.512 11.393 1.00 23.81 C ATOM 99 CG GLU A 23 -13.262 -0.136 12.090 1.00 27.19 C ATOM 100 CD GLU A 23 -13.442 -0.784 13.451 1.00 56.29 C ATOM 101 OE1 GLU A 23 -12.706 -1.735 13.779 1.00 54.78 O ATOM 102 OE2 GLU A 23 -14.332 -0.341 14.201 1.00 49.97 O ATOM 103 H GLU A 23 -12.981 -0.961 8.737 1.00 0.00 H ATOM 104 N PRO A 24 -10.008 0.658 8.422 1.00 21.54 N ATOM 105 CA PRO A 24 -8.834 0.273 7.630 1.00 22.31 C ATOM 106 C PRO A 24 -7.605 0.040 8.486 1.00 29.13 C ATOM 107 O PRO A 24 -7.372 0.725 9.477 1.00 29.41 O ATOM 108 CB PRO A 24 -8.619 1.466 6.693 1.00 24.79 C ATOM 109 CG PRO A 24 -9.399 2.636 7.365 1.00 22.86 C ATOM 110 CD PRO A 24 -10.560 1.959 8.002 1.00 20.44 C ATOM 111 N SER A 25 -6.817 -0.951 8.080 1.00 29.69 N ATOM 112 CA SER A 25 -5.489 -1.109 8.656 1.00 37.15 C ATOM 113 C SER A 25 -4.606 0.057 8.221 1.00 28.33 C ATOM 114 O SER A 25 -4.965 0.849 7.346 1.00 29.83 O ATOM 115 CB SER A 25 -4.870 -2.420 8.187 1.00 34.27 C ATOM 116 OG SER A 25 -4.676 -2.343 6.787 1.00 34.21 O ATOM 117 HG SER A 25 -5.548 -2.200 6.341 1.00 0.00 H ATOM 118 H SER A 25 -7.149 -1.614 7.351 1.00 0.00 H ATOM 119 N TRP A 26 -3.408 0.151 8.811 1.00 31.70 N ATOM 120 CA TRP A 26 -2.499 1.207 8.377 1.00 28.55 C ATOM 121 C TRP A 26 -2.175 1.083 6.889 1.00 30.69 C ATOM 122 O TRP A 26 -2.029 2.097 6.193 1.00 34.60 O ATOM 123 CB TRP A 26 -1.220 1.188 9.223 1.00 35.96 C ATOM 124 CG TRP A 26 -1.350 1.970 10.495 1.00 38.19 C ATOM 125 CD1 TRP A 26 -1.456 1.474 11.770 1.00 57.09 C ATOM 126 CD2 TRP A 26 -1.418 3.392 10.611 1.00 44.94 C ATOM 127 NE1 TRP A 26 -1.564 2.506 12.670 1.00 49.42 N ATOM 128 CE2 TRP A 26 -1.543 3.695 11.985 1.00 39.10 C ATOM 129 CE3 TRP A 26 -1.371 4.446 9.686 1.00 41.70 C ATOM 130 CZ2 TRP A 26 -1.631 5.008 12.455 1.00 51.35 C ATOM 131 CZ3 TRP A 26 -1.454 5.756 10.159 1.00 49.64 C ATOM 132 CH2 TRP A 26 -1.583 6.021 11.528 1.00 45.92 C ATOM 133 HE1 TRP A 26 -1.648 2.403 13.701 1.00 0.00 H ATOM 134 H TRP A 26 -3.131 -0.513 9.562 1.00 0.00 H ATOM 135 N GLU A 27 -2.070 -0.151 6.381 1.00 34.64 N ATOM 136 CA GLU A 27 -1.798 -0.365 4.962 1.00 38.29 C ATOM 137 C GLU A 27 -2.944 0.147 4.091 1.00 30.94 C ATOM 138 O GLU A 27 -2.718 0.889 3.130 1.00 42.20 O ATOM 139 CB GLU A 27 -1.540 -1.851 4.697 1.00 44.93 C ATOM 140 H GLU A 27 -2.184 -0.973 7.008 1.00 0.00 H ATOM 141 N GLU A 28 -4.183 -0.244 4.410 1.00 36.82 N ATOM 142 CA GLU A 28 -5.340 0.267 3.675 1.00 37.34 C ATOM 143 C GLU A 28 -5.464 1.784 3.792 1.00 30.64 C ATOM 144 O GLU A 28 -5.932 2.445 2.858 1.00 35.84 O ATOM 145 CB GLU A 28 -6.614 -0.414 4.180 1.00 35.54 C ATOM 146 CG GLU A 28 -6.545 -1.948 4.046 1.00 34.38 C ATOM 147 CD GLU A 28 -7.599 -2.690 4.847 1.00 51.60 C ATOM 148 OE1 GLU A 28 -7.804 -2.379 6.042 1.00 53.89 O ATOM 149 OE2 GLU A 28 -8.217 -3.612 4.274 1.00 83.10 O ATOM 150 H GLU A 28 -4.325 -0.918 5.189 1.00 0.00 H ATOM 151 N PHE A 29 -5.060 2.356 4.925 1.00 28.13 N ATOM 152 CA PHE A 29 -5.233 3.787 5.148 1.00 32.58 C ATOM 153 C PHE A 29 -4.219 4.643 4.373 1.00 29.94 C ATOM 154 O PHE A 29 -4.274 5.870 4.447 1.00 32.53 O ATOM 155 CB PHE A 29 -5.166 4.042 6.657 1.00 29.49 C ATOM 156 CG PHE A 29 -5.787 5.353 7.101 1.00 29.60 C ATOM 157 CD1 PHE A 29 -7.142 5.595 6.950 1.00 26.77 C ATOM 158 CD2 PHE A 29 -4.995 6.328 7.696 1.00 29.89 C ATOM 159 CE1 PHE A 29 -7.698 6.803 7.386 1.00 24.00 C ATOM 160 CE2 PHE A 29 -5.530 7.541 8.106 1.00 27.83 C ATOM 161 CZ PHE A 29 -6.881 7.776 7.943 1.00 27.15 C ATOM 162 H PHE A 29 -4.614 1.773 5.662 1.00 0.00 H ATOM 163 N THR A 30 -3.302 4.040 3.608 1.00 42.40 N ATOM 164 CA THR A 30 -2.251 4.826 2.954 1.00 36.18 C ATOM 165 C THR A 30 -2.811 5.771 1.888 1.00 34.34 C ATOM 166 O THR A 30 -2.351 6.912 1.764 1.00 43.24 O ATOM 167 CB THR A 30 -1.204 3.903 2.326 1.00 65.82 C ATOM 168 OG1 THR A 30 -0.773 2.938 3.290 1.00 75.45 O ATOM 169 CG2 THR A 30 -0.005 4.710 1.873 1.00 61.93 C ATOM 170 HG1 THR A 30 -1.550 2.401 3.587 1.00 0.00 H ATOM 171 H THR A 30 -3.335 3.009 3.477 1.00 0.00 H ATOM 172 N ASP A 31 -3.798 5.334 1.114 1.00 35.95 N ATOM 173 CA ASP A 31 -4.277 6.117 -0.024 1.00 58.30 C ATOM 174 C ASP A 31 -5.792 6.207 0.003 1.00 33.27 C ATOM 175 O ASP A 31 -6.464 5.209 -0.325 1.00 33.83 O ATOM 176 CB ASP A 31 -3.808 5.516 -1.350 1.00 44.01 C ATOM 177 CG ASP A 31 -4.315 6.302 -2.562 1.00 75.35 C ATOM 178 OD1 ASP A 31 -4.729 7.473 -2.397 1.00 76.25 O ATOM 179 OD2 ASP A 31 -4.293 5.753 -3.685 1.00 85.21 O ATOM 180 H ASP A 31 -4.239 4.416 1.322 1.00 0.00 H ATOM 181 N PRO A 32 -6.351 7.378 0.315 1.00 31.35 N ATOM 182 CA PRO A 32 -7.820 7.516 0.391 1.00 27.07 C ATOM 183 C PRO A 32 -8.574 7.118 -0.874 1.00 29.26 C ATOM 184 O PRO A 32 -9.589 6.412 -0.799 1.00 23.51 O ATOM 185 CB PRO A 32 -8.012 9.009 0.682 1.00 23.10 C ATOM 186 CG PRO A 32 -6.683 9.487 1.201 1.00 29.86 C ATOM 187 CD PRO A 32 -5.627 8.611 0.657 1.00 56.45 C ATOM 188 N LEU A 33 -8.155 7.606 -2.046 1.00 24.53 N ATOM 189 CA LEU A 33 -8.928 7.304 -3.239 1.00 23.69 C ATOM 190 C LEU A 33 -8.873 5.830 -3.562 1.00 19.27 C ATOM 191 O LEU A 33 -9.848 5.262 -4.059 1.00 18.87 O ATOM 192 CB LEU A 33 -8.409 8.114 -4.427 1.00 24.54 C ATOM 193 CG LEU A 33 -9.304 9.323 -4.748 1.00 35.53 C ATOM 194 CD1 LEU A 33 -9.387 10.259 -3.567 1.00 32.60 C ATOM 195 CD2 LEU A 33 -8.750 10.031 -5.968 1.00 42.30 C ATOM 196 H LEU A 33 -7.295 8.189 -2.103 1.00 0.00 H ATOM 197 N SER A 34 -7.721 5.201 -3.296 1.00 21.96 N ATOM 198 CA SER A 34 -7.620 3.775 -3.535 1.00 21.23 C ATOM 199 C SER A 34 -8.516 3.010 -2.571 1.00 17.75 C ATOM 200 O SER A 34 -9.158 2.029 -2.953 1.00 19.82 O ATOM 201 CB SER A 34 -6.162 3.335 -3.400 1.00 32.44 C ATOM 202 OG SER A 34 -6.060 1.937 -3.258 1.00 69.14 O ATOM 203 HG SER A 34 -5.107 1.684 -3.173 1.00 0.00 H ATOM 204 H SER A 34 -6.908 5.730 -2.922 1.00 0.00 H ATOM 205 N PHE A 35 -8.556 3.445 -1.312 1.00 19.41 N ATOM 206 CA PHE A 35 -9.422 2.761 -0.359 1.00 18.02 C ATOM 207 C PHE A 35 -10.883 2.954 -0.712 1.00 17.55 C ATOM 208 O PHE A 35 -11.666 2.002 -0.668 1.00 14.92 O ATOM 209 CB PHE A 35 -9.155 3.254 1.052 1.00 20.98 C ATOM 210 CG PHE A 35 -9.948 2.516 2.102 1.00 21.06 C ATOM 211 CD1 PHE A 35 -9.600 1.216 2.429 1.00 23.80 C ATOM 212 CD2 PHE A 35 -11.032 3.103 2.740 1.00 19.32 C ATOM 213 CE1 PHE A 35 -10.295 0.514 3.397 1.00 26.40 C ATOM 214 CE2 PHE A 35 -11.746 2.351 3.747 1.00 19.18 C ATOM 215 CZ PHE A 35 -11.368 1.110 4.039 1.00 20.81 C ATOM 216 H PHE A 35 -7.980 4.258 -1.014 1.00 0.00 H ATOM 217 N ILE A 36 -11.279 4.185 -1.068 1.00 15.16 N ATOM 218 CA ILE A 36 -12.686 4.432 -1.399 1.00 17.22 C ATOM 219 C ILE A 36 -13.070 3.673 -2.658 1.00 19.14 C ATOM 220 O ILE A 36 -14.181 3.107 -2.757 1.00 17.80 O ATOM 221 CB ILE A 36 -12.895 5.957 -1.536 1.00 18.58 C ATOM 222 CG1 ILE A 36 -12.724 6.593 -0.161 1.00 22.20 C ATOM 223 CG2 ILE A 36 -14.289 6.246 -2.140 1.00 22.46 C ATOM 224 CD1 ILE A 36 -12.530 8.122 -0.197 1.00 24.93 C ATOM 225 H ILE A 36 -10.590 4.963 -1.109 1.00 0.00 H ATOM 226 N GLY A 37 -12.118 3.523 -3.578 1.00 19.00 N ATOM 227 CA GLY A 37 -12.380 2.713 -4.760 1.00 19.38 C ATOM 228 C GLY A 37 -12.605 1.242 -4.437 1.00 19.00 C ATOM 229 O GLY A 37 -13.439 0.579 -5.067 1.00 21.58 O ATOM 230 H GLY A 37 -11.193 3.982 -3.453 1.00 0.00 H ATOM 231 N ARG A 38 -11.868 0.717 -3.459 1.00 16.82 N ATOM 232 CA ARG A 38 -11.999 -0.689 -3.060 1.00 18.16 C ATOM 233 C ARG A 38 -13.295 -0.952 -2.302 1.00 20.03 C ATOM 234 O ARG A 38 -13.881 -2.028 -2.441 1.00 20.32 O ATOM 235 CB ARG A 38 -10.810 -1.109 -2.202 1.00 23.38 C ATOM 236 CG ARG A 38 -9.571 -1.330 -3.017 1.00 32.53 C ATOM 237 CD ARG A 38 -8.559 -2.199 -2.264 1.00 45.82 C ATOM 238 NE ARG A 38 -7.646 -2.829 -3.215 1.00 94.26 N ATOM 239 CZ ARG A 38 -6.566 -2.239 -3.719 1.00 81.50 C ATOM 240 NH1 ARG A 38 -6.253 -1.005 -3.355 1.00 81.46 N ATOM 241 NH2 ARG A 38 -5.796 -2.883 -4.585 1.00 69.65 N ATOM 242 HE ARG A 38 -7.854 -3.802 -3.517 1.00 0.00 H ATOM 243 HH12 ARG A 38 -5.408 -0.545 -3.750 1.00 0.00 H ATOM 244 HH11 ARG A 38 -6.852 -0.496 -2.674 1.00 0.00 H ATOM 245 HH22 ARG A 38 -4.952 -2.418 -4.977 1.00 0.00 H ATOM 246 HH21 ARG A 38 -6.036 -3.853 -4.873 1.00 0.00 H ATOM 247 H ARG A 38 -11.181 1.321 -2.964 1.00 0.00 H ATOM 248 N ILE A 39 -13.760 0.003 -1.483 1.00 17.99 N ATOM 249 CA ILE A 39 -14.989 -0.237 -0.720 1.00 18.06 C ATOM 250 C ILE A 39 -16.233 0.026 -1.546 1.00 14.12 C ATOM 251 O ILE A 39 -17.331 -0.366 -1.135 1.00 14.56 O ATOM 252 CB ILE A 39 -15.042 0.622 0.563 1.00 17.48 C ATOM 253 CG1 ILE A 39 -15.163 2.122 0.194 1.00 18.26 C ATOM 254 CG2 ILE A 39 -13.851 0.291 1.500 1.00 23.94 C ATOM 255 CD1 ILE A 39 -15.136 3.100 1.388 1.00 23.32 C ATOM 256 H ILE A 39 -13.253 0.906 -1.390 1.00 0.00 H ATOM 257 N ARG A 40 -16.083 0.617 -2.740 1.00 15.19 N ATOM 258 CA ARG A 40 -17.220 1.051 -3.542 1.00 15.35 C ATOM 259 C ARG A 40 -18.259 -0.023 -3.791 1.00 16.08 C ATOM 260 O ARG A 40 -19.457 0.305 -3.733 1.00 14.78 O ATOM 261 CB ARG A 40 -16.688 1.569 -4.904 1.00 16.94 C ATOM 262 CG ARG A 40 -17.776 1.987 -5.859 1.00 25.33 C ATOM 263 CD ARG A 40 -17.159 2.306 -7.217 1.00 28.35 C ATOM 264 NE ARG A 40 -18.190 2.596 -8.195 1.00 51.03 N ATOM 265 CZ ARG A 40 -18.012 2.521 -9.505 1.00 67.61 C ATOM 266 NH1 ARG A 40 -16.839 2.138 -9.992 1.00 84.45 N ATOM 267 NH2 ARG A 40 -19.014 2.820 -10.322 1.00 47.32 N ATOM 268 HE ARG A 40 -19.127 2.881 -7.846 1.00 0.00 H ATOM 269 HH12 ARG A 40 -16.697 2.079 -11.021 1.00 0.00 H ATOM 270 HH11 ARG A 40 -16.061 1.897 -9.345 1.00 0.00 H ATOM 271 HH22 ARG A 40 -18.880 2.763 -11.352 1.00 0.00 H ATOM 272 HH21 ARG A 40 -19.933 3.111 -9.933 1.00 0.00 H ATOM 273 H ARG A 40 -15.122 0.771 -3.107 1.00 0.00 H ATOM 274 N PRO A 41 -17.910 -1.289 -4.093 1.00 15.08 N ATOM 275 CA PRO A 41 -18.977 -2.265 -4.343 1.00 15.10 C ATOM 276 C PRO A 41 -19.971 -2.382 -3.213 1.00 15.64 C ATOM 277 O PRO A 41 -21.162 -2.608 -3.479 1.00 18.16 O ATOM 278 CB PRO A 41 -18.228 -3.584 -4.527 1.00 16.33 C ATOM 279 CG PRO A 41 -16.931 -3.200 -5.053 1.00 20.63 C ATOM 280 CD PRO A 41 -16.585 -1.887 -4.362 1.00 19.86 C ATOM 281 N LEU A 42 -19.555 -2.211 -1.944 1.00 13.77 N ATOM 282 CA LEU A 42 -20.553 -2.190 -0.882 1.00 13.27 C ATOM 283 C LEU A 42 -21.087 -0.786 -0.632 1.00 14.81 C ATOM 284 O LEU A 42 -22.307 -0.588 -0.565 1.00 14.18 O ATOM 285 CB LEU A 42 -19.946 -2.770 0.426 1.00 14.80 C ATOM 286 CG LEU A 42 -20.809 -2.701 1.703 1.00 15.67 C ATOM 287 CD1 LEU A 42 -22.091 -3.510 1.379 1.00 19.31 C ATOM 288 CD2 LEU A 42 -20.049 -3.268 2.879 1.00 19.99 C ATOM 289 H LEU A 42 -18.544 -2.096 -1.726 1.00 0.00 H ATOM 290 N ALA A 43 -20.194 0.193 -0.475 1.00 13.58 N ATOM 291 CA ALA A 43 -20.658 1.515 -0.040 1.00 14.69 C ATOM 292 C ALA A 43 -21.556 2.219 -1.067 1.00 15.27 C ATOM 293 O ALA A 43 -22.478 2.967 -0.680 1.00 13.14 O ATOM 294 CB ALA A 43 -19.432 2.341 0.324 1.00 15.77 C ATOM 295 H ALA A 43 -19.185 0.022 -0.658 1.00 0.00 H ATOM 296 N GLU A 44 -21.391 1.940 -2.361 1.00 14.38 N ATOM 297 CA GLU A 44 -22.296 2.602 -3.297 1.00 14.44 C ATOM 298 C GLU A 44 -23.711 2.032 -3.211 1.00 15.09 C ATOM 299 O GLU A 44 -24.655 2.698 -3.637 1.00 14.97 O ATOM 300 CB GLU A 44 -21.729 2.568 -4.721 1.00 18.37 C ATOM 301 CG GLU A 44 -21.999 1.348 -5.429 1.00 22.98 C ATOM 302 CD GLU A 44 -21.467 1.371 -6.879 1.00 56.13 C ATOM 303 OE1 GLU A 44 -21.007 2.438 -7.384 1.00 31.02 O ATOM 304 OE2 GLU A 44 -21.515 0.302 -7.514 1.00 30.96 O ATOM 305 H GLU A 44 -20.654 1.283 -2.687 1.00 0.00 H ATOM 306 N LYS A 45 -23.902 0.824 -2.607 1.00 12.20 N ATOM 307 CA LYS A 45 -25.221 0.276 -2.404 1.00 12.05 C ATOM 308 C LYS A 45 -25.901 0.841 -1.166 1.00 10.20 C ATOM 309 O LYS A 45 -27.117 0.625 -0.975 1.00 14.78 O ATOM 310 CB LYS A 45 -25.100 -1.283 -2.311 1.00 13.70 C ATOM 311 CG LYS A 45 -24.610 -1.882 -3.652 1.00 18.26 C ATOM 312 CD LYS A 45 -24.440 -3.402 -3.538 1.00 16.02 C ATOM 313 CE LYS A 45 -24.236 -4.038 -4.952 1.00 17.04 C ATOM 314 NZ LYS A 45 -22.944 -3.571 -5.557 1.00 18.93 N ATOM 315 HZ1 LYS A 45 -22.961 -2.535 -5.651 1.00 0.00 H ATOM 316 HZ2 LYS A 45 -22.153 -3.852 -4.942 1.00 0.00 H ATOM 317 HZ3 LYS A 45 -22.826 -4.004 -6.495 1.00 0.00 H ATOM 318 H LYS A 45 -23.074 0.283 -2.284 1.00 0.00 H ATOM 319 N THR A 46 -25.173 1.613 -0.353 1.00 12.51 N ATOM 320 CA THR A 46 -25.772 2.216 0.830 1.00 12.48 C ATOM 321 C THR A 46 -25.743 3.744 0.758 1.00 12.97 C ATOM 322 O THR A 46 -26.373 4.399 1.592 1.00 14.49 O ATOM 323 CB THR A 46 -25.086 1.716 2.130 1.00 14.73 C ATOM 324 OG1 THR A 46 -23.683 2.029 2.106 1.00 15.18 O ATOM 325 CG2 THR A 46 -25.242 0.182 2.181 1.00 14.89 C ATOM 326 HG1 THR A 46 -23.566 3.009 2.035 1.00 0.00 H ATOM 327 H THR A 46 -24.170 1.785 -0.567 1.00 0.00 H ATOM 328 N GLY A 47 -25.053 4.323 -0.239 1.00 11.56 N ATOM 329 CA GLY A 47 -24.978 5.793 -0.411 1.00 11.84 C ATOM 330 C GLY A 47 -23.952 6.461 0.469 1.00 10.90 C ATOM 331 O GLY A 47 -23.165 7.293 0.001 1.00 12.38 O ATOM 332 H GLY A 47 -24.551 3.715 -0.917 1.00 0.00 H ATOM 333 N ILE A 48 -23.941 6.107 1.751 1.00 12.64 N ATOM 334 CA ILE A 48 -22.986 6.682 2.688 1.00 13.13 C ATOM 335 C ILE A 48 -22.262 5.555 3.410 1.00 13.31 C ATOM 336 O ILE A 48 -22.744 4.415 3.499 1.00 12.99 O ATOM 337 CB ILE A 48 -23.627 7.602 3.736 1.00 15.86 C ATOM 338 CG1 ILE A 48 -24.667 6.860 4.554 1.00 16.68 C ATOM 339 CG2 ILE A 48 -24.236 8.843 3.041 1.00 18.36 C ATOM 340 CD1 ILE A 48 -25.155 7.690 5.815 1.00 22.44 C ATOM 341 H ILE A 48 -24.629 5.405 2.091 1.00 0.00 H ATOM 342 N CYS A 49 -21.055 5.873 3.851 1.00 10.63 N ATOM 343 CA CYS A 49 -20.327 4.941 4.724 1.00 10.76 C ATOM 344 C CYS A 49 -19.496 5.737 5.707 1.00 12.02 C ATOM 345 O CYS A 49 -19.241 6.925 5.523 1.00 11.27 O ATOM 346 CB CYS A 49 -19.439 3.942 3.954 1.00 14.52 C ATOM 347 SG CYS A 49 -18.096 4.692 3.101 1.00 17.47 S ATOM 348 H CYS A 49 -20.623 6.780 3.581 1.00 0.00 H ATOM 349 N LYS A 50 -19.073 5.073 6.776 1.00 11.55 N ATOM 350 CA LYS A 50 -18.269 5.696 7.816 1.00 12.80 C ATOM 351 C LYS A 50 -16.907 5.017 7.829 1.00 13.67 C ATOM 352 O LYS A 50 -16.796 3.794 7.608 1.00 16.65 O ATOM 353 CB LYS A 50 -18.991 5.554 9.165 1.00 15.50 C ATOM 354 CG LYS A 50 -18.316 6.258 10.352 1.00 17.78 C ATOM 355 CD LYS A 50 -19.368 6.361 11.515 1.00 17.70 C ATOM 356 CE LYS A 50 -19.750 4.982 11.983 1.00 19.20 C ATOM 357 NZ LYS A 50 -20.606 5.088 13.249 1.00 22.06 N ATOM 358 HZ1 LYS A 50 -20.063 5.568 13.994 1.00 0.00 H ATOM 359 HZ2 LYS A 50 -21.466 5.633 13.040 1.00 0.00 H ATOM 360 HZ3 LYS A 50 -20.868 4.134 13.570 1.00 0.00 H ATOM 361 H LYS A 50 -19.326 4.069 6.874 1.00 0.00 H ATOM 362 N ILE A 51 -15.858 5.809 8.035 1.00 11.17 N ATOM 363 CA ILE A 51 -14.500 5.296 8.007 1.00 12.78 C ATOM 364 C ILE A 51 -13.822 5.740 9.307 1.00 14.16 C ATOM 365 O ILE A 51 -13.756 6.947 9.606 1.00 16.35 O ATOM 366 CB ILE A 51 -13.710 5.789 6.789 1.00 15.04 C ATOM 367 CG1 ILE A 51 -14.321 5.219 5.493 1.00 17.80 C ATOM 368 CG2 ILE A 51 -12.251 5.341 6.965 1.00 17.11 C ATOM 369 CD1 ILE A 51 -13.727 5.798 4.216 1.00 23.20 C ATOM 370 H ILE A 51 -16.015 6.820 8.221 1.00 0.00 H ATOM 371 N ARG A 52 -13.400 4.763 10.118 1.00 13.98 N ATOM 372 CA ARG A 52 -12.672 5.009 11.359 1.00 16.19 C ATOM 373 C ARG A 52 -11.176 4.888 11.112 1.00 17.33 C ATOM 374 O ARG A 52 -10.705 3.776 10.781 1.00 21.27 O ATOM 375 CB ARG A 52 -13.084 3.976 12.400 1.00 16.15 C ATOM 376 CG ARG A 52 -14.517 4.117 12.820 1.00 18.47 C ATOM 377 CD ARG A 52 -14.799 3.168 14.014 1.00 24.93 C ATOM 378 NE ARG A 52 -16.149 3.390 14.527 1.00 23.22 N ATOM 379 CZ ARG A 52 -17.025 2.429 14.800 1.00 32.11 C ATOM 380 NH1 ARG A 52 -16.665 1.164 14.650 1.00 28.58 N ATOM 381 NH2 ARG A 52 -18.245 2.737 15.228 1.00 34.32 N ATOM 382 HE ARG A 52 -16.446 4.373 14.691 1.00 0.00 H ATOM 383 HH12 ARG A 52 -17.341 0.402 14.860 1.00 0.00 H ATOM 384 HH11 ARG A 52 -15.706 0.932 14.322 1.00 0.00 H ATOM 385 HH22 ARG A 52 -18.928 1.982 15.441 1.00 0.00 H ATOM 386 HH21 ARG A 52 -18.517 3.733 15.350 1.00 0.00 H ATOM 387 H ARG A 52 -13.601 3.778 9.851 1.00 0.00 H ATOM 388 N PRO A 53 -10.401 5.946 11.246 1.00 15.79 N ATOM 389 CA PRO A 53 -8.966 5.844 11.029 1.00 17.18 C ATOM 390 C PRO A 53 -8.320 4.982 12.099 1.00 21.49 C ATOM 391 O PRO A 53 -8.902 4.719 13.162 1.00 21.91 O ATOM 392 CB PRO A 53 -8.484 7.309 11.135 1.00 20.84 C ATOM 393 CG PRO A 53 -9.700 8.125 10.861 1.00 23.54 C ATOM 394 CD PRO A 53 -10.814 7.346 11.501 1.00 19.49 C ATOM 395 N PRO A 54 -7.105 4.536 11.846 1.00 23.68 N ATOM 396 CA PRO A 54 -6.365 3.775 12.854 1.00 27.00 C ATOM 397 C PRO A 54 -6.282 4.544 14.161 1.00 27.55 C ATOM 398 O PRO A 54 -6.268 5.775 14.176 1.00 25.27 O ATOM 399 CB PRO A 54 -4.990 3.596 12.211 1.00 27.08 C ATOM 400 CG PRO A 54 -5.222 3.681 10.755 1.00 31.87 C ATOM 401 CD PRO A 54 -6.368 4.664 10.579 1.00 22.94 C ATOM 402 N LYS A 55 -6.221 3.791 15.275 1.00 31.24 N ATOM 403 CA LYS A 55 -6.348 4.371 16.607 1.00 36.94 C ATOM 404 C LYS A 55 -5.332 5.487 16.833 1.00 29.75 C ATOM 405 O LYS A 55 -5.660 6.526 17.413 1.00 35.11 O ATOM 406 CB LYS A 55 -6.175 3.272 17.665 1.00 42.36 C ATOM 407 H LYS A 55 -6.079 2.765 15.183 1.00 0.00 H ATOM 408 N ASP A 56 -4.116 5.309 16.328 1.00 29.18 N ATOM 409 CA ASP A 56 -3.060 6.289 16.529 1.00 54.72 C ATOM 410 C ASP A 56 -3.125 7.475 15.572 1.00 59.15 C ATOM 411 O ASP A 56 -2.268 8.351 15.669 1.00 35.03 O ATOM 412 CB ASP A 56 -1.687 5.618 16.405 1.00 50.65 C ATOM 413 H ASP A 56 -3.915 4.450 15.777 1.00 0.00 H ATOM 414 N TRP A 57 -4.091 7.553 14.654 1.00 25.73 N ATOM 415 CA TRP A 57 -4.185 8.713 13.761 1.00 25.52 C ATOM 416 C TRP A 57 -5.053 9.783 14.414 1.00 24.35 C ATOM 417 O TRP A 57 -6.289 9.686 14.412 1.00 26.14 O ATOM 418 CB TRP A 57 -4.744 8.288 12.406 1.00 27.53 C ATOM 419 CG TRP A 57 -4.526 9.278 11.279 1.00 27.86 C ATOM 420 CD1 TRP A 57 -3.387 9.415 10.536 1.00 26.90 C ATOM 421 CD2 TRP A 57 -5.454 10.259 10.776 1.00 25.60 C ATOM 422 NE1 TRP A 57 -3.546 10.401 9.594 1.00 28.50 N ATOM 423 CE2 TRP A 57 -4.807 10.933 9.712 1.00 24.19 C ATOM 424 CE3 TRP A 57 -6.774 10.623 11.106 1.00 20.73 C ATOM 425 CZ2 TRP A 57 -5.421 11.963 8.985 1.00 23.63 C ATOM 426 CZ3 TRP A 57 -7.401 11.641 10.365 1.00 20.23 C ATOM 427 CH2 TRP A 57 -6.720 12.300 9.318 1.00 26.62 C ATOM 428 HE1 TRP A 57 -2.828 10.697 8.903 1.00 0.00 H ATOM 429 H TRP A 57 -4.785 6.783 14.571 1.00 0.00 H ATOM 430 N GLN A 58 -4.416 10.848 14.932 1.00 27.22 N ATOM 431 CA GLN A 58 -5.107 11.896 15.693 1.00 23.38 C ATOM 432 C GLN A 58 -4.603 13.286 15.321 1.00 23.69 C ATOM 433 O GLN A 58 -3.705 13.843 15.968 1.00 27.56 O ATOM 434 CB GLN A 58 -4.941 11.666 17.201 1.00 34.93 C ATOM 435 CG GLN A 58 -5.381 10.290 17.621 1.00 45.75 C ATOM 436 CD GLN A 58 -4.920 9.924 19.005 1.00 72.66 C ATOM 437 OE1 GLN A 58 -4.641 10.792 19.833 1.00 69.88 O ATOM 438 NE2 GLN A 58 -4.827 8.626 19.266 1.00 54.12 N ATOM 439 HE22 GLN A 58 -5.074 7.929 18.534 1.00 0.00 H ATOM 440 HE21 GLN A 58 -4.507 8.305 20.202 1.00 0.00 H ATOM 441 H GLN A 58 -3.390 10.933 14.787 1.00 0.00 H ATOM 442 N PRO A 59 -5.154 13.886 14.272 1.00 25.46 N ATOM 443 CA PRO A 59 -4.726 15.241 13.887 1.00 21.52 C ATOM 444 C PRO A 59 -5.036 16.264 14.962 1.00 33.77 C ATOM 445 O PRO A 59 -6.078 16.191 15.634 1.00 30.37 O ATOM 446 CB PRO A 59 -5.527 15.524 12.605 1.00 25.27 C ATOM 447 CG PRO A 59 -6.723 14.624 12.715 1.00 25.21 C ATOM 448 CD PRO A 59 -6.204 13.365 13.389 1.00 23.70 C ATOM 449 N PRO A 60 -4.145 17.232 15.153 1.00 24.65 N ATOM 450 CA PRO A 60 -4.443 18.356 16.041 1.00 25.21 C ATOM 451 C PRO A 60 -5.522 19.212 15.414 1.00 38.26 C ATOM 452 O PRO A 60 -5.814 19.108 14.226 1.00 40.01 O ATOM 453 CB PRO A 60 -3.108 19.102 16.106 1.00 24.29 C ATOM 454 CG PRO A 60 -2.558 18.903 14.720 1.00 56.47 C ATOM 455 CD PRO A 60 -2.922 17.471 14.357 1.00 35.79 C ATOM 456 N PHE A 61 -6.154 20.036 16.232 1.00 23.46 N ATOM 457 CA PHE A 61 -7.174 20.956 15.728 1.00 20.86 C ATOM 458 C PHE A 61 -6.506 22.293 15.446 1.00 27.66 C ATOM 459 O PHE A 61 -5.874 22.877 16.336 1.00 30.72 O ATOM 460 CB PHE A 61 -8.326 21.122 16.736 1.00 20.72 C ATOM 461 CG PHE A 61 -9.414 22.035 16.267 1.00 22.39 C ATOM 462 CD1 PHE A 61 -10.172 21.710 15.131 1.00 19.96 C ATOM 463 CD2 PHE A 61 -9.694 23.234 16.938 1.00 27.07 C ATOM 464 CE1 PHE A 61 -11.176 22.545 14.697 1.00 22.57 C ATOM 465 CE2 PHE A 61 -10.696 24.084 16.485 1.00 25.07 C ATOM 466 CZ PHE A 61 -11.447 23.734 15.350 1.00 23.69 C ATOM 467 H PHE A 61 -5.923 20.030 17.246 1.00 0.00 H ATOM 468 N ALA A 62 -6.636 22.783 14.212 1.00 23.72 N ATOM 469 CA ALA A 62 -5.754 23.850 13.745 1.00 25.82 C ATOM 470 C ALA A 62 -6.453 25.150 13.367 1.00 33.21 C ATOM 471 O ALA A 62 -5.828 25.989 12.710 1.00 44.74 O ATOM 472 CB ALA A 62 -4.928 23.354 12.551 1.00 28.43 C ATOM 473 H ALA A 62 -7.369 22.404 13.579 1.00 0.00 H ATOM 474 N CYS A 63 -7.721 25.345 13.727 1.00 27.84 N ATOM 475 CA CYS A 63 -8.348 26.628 13.441 1.00 29.48 C ATOM 476 C CYS A 63 -7.807 27.694 14.386 1.00 33.02 C ATOM 477 O CYS A 63 -7.344 27.401 15.489 1.00 31.48 O ATOM 478 CB CYS A 63 -9.865 26.581 13.627 1.00 29.04 C ATOM 479 SG CYS A 63 -10.751 25.655 12.418 1.00 29.48 S ATOM 480 H CYS A 63 -8.255 24.592 14.205 1.00 0.00 H ATOM 481 N GLU A 64 -7.929 28.945 13.956 1.00 39.49 N ATOM 482 CA GLU A 64 -7.518 30.097 14.762 1.00 47.69 C ATOM 483 C GLU A 64 -8.593 30.377 15.812 1.00 35.10 C ATOM 484 O GLU A 64 -9.492 31.190 15.601 1.00 45.34 O ATOM 485 CB GLU A 64 -7.281 31.303 13.858 1.00 39.76 C ATOM 486 H GLU A 64 -8.331 29.113 13.012 1.00 0.00 H ATOM 487 N VAL A 65 -8.488 29.708 16.970 1.00 36.85 N ATOM 488 CA VAL A 65 -9.584 29.673 17.945 1.00 31.12 C ATOM 489 C VAL A 65 -9.800 31.036 18.597 1.00 64.28 C ATOM 490 O VAL A 65 -10.938 31.411 18.913 1.00 40.53 O ATOM 491 CB VAL A 65 -9.325 28.592 19.010 1.00 39.18 C ATOM 492 CG1 VAL A 65 -10.296 28.735 20.184 1.00 45.37 C ATOM 493 CG2 VAL A 65 -9.432 27.194 18.416 1.00 43.71 C ATOM 494 H VAL A 65 -7.606 29.200 17.183 1.00 0.00 H ATOM 495 N LYS A 66 -8.727 31.799 18.811 1.00 52.62 N ATOM 496 CA LYS A 66 -8.861 33.089 19.483 1.00 75.91 C ATOM 497 C LYS A 66 -9.798 34.020 18.716 1.00 39.60 C ATOM 498 O LYS A 66 -10.658 34.679 19.311 1.00 67.08 O ATOM 499 CB LYS A 66 -7.480 33.726 19.664 1.00 62.70 C ATOM 500 H LYS A 66 -7.790 31.474 18.498 1.00 0.00 H ATOM 501 N SER A 67 -9.684 34.041 17.392 1.00 39.42 N ATOM 502 CA SER A 67 -10.420 34.967 16.551 1.00 48.82 C ATOM 503 C SER A 67 -11.679 34.365 15.934 1.00 34.53 C ATOM 504 O SER A 67 -12.397 35.076 15.221 1.00 32.83 O ATOM 505 CB SER A 67 -9.505 35.476 15.441 1.00 53.51 C ATOM 506 OG SER A 67 -8.785 34.401 14.874 1.00 63.61 O ATOM 507 HG SER A 67 -8.195 34.743 14.156 1.00 0.00 H ATOM 508 H SER A 67 -9.038 33.364 16.938 1.00 0.00 H ATOM 509 N PHE A 68 -11.961 33.079 16.173 1.00 28.42 N ATOM 510 CA PHE A 68 -13.074 32.423 15.493 1.00 24.89 C ATOM 511 C PHE A 68 -14.385 33.034 15.973 1.00 24.46 C ATOM 512 O PHE A 68 -14.770 32.872 17.137 1.00 32.76 O ATOM 513 CB PHE A 68 -13.026 30.917 15.745 1.00 22.92 C ATOM 514 CG PHE A 68 -13.791 30.097 14.740 1.00 22.10 C ATOM 515 CD1 PHE A 68 -15.174 30.070 14.759 1.00 21.64 C ATOM 516 CD2 PHE A 68 -13.109 29.292 13.841 1.00 28.27 C ATOM 517 CE1 PHE A 68 -15.882 29.265 13.859 1.00 22.79 C ATOM 518 CE2 PHE A 68 -13.788 28.507 12.936 1.00 24.18 C ATOM 519 CZ PHE A 68 -15.179 28.485 12.934 1.00 23.60 C ATOM 520 H PHE A 68 -11.382 32.542 16.849 1.00 0.00 H ATOM 521 N ARG A 69 -15.074 33.741 15.079 1.00 20.99 N ATOM 522 CA ARG A 69 -16.316 34.413 15.428 1.00 24.63 C ATOM 523 C ARG A 69 -17.293 34.240 14.283 1.00 32.42 C ATOM 524 O ARG A 69 -16.891 34.254 13.123 1.00 30.93 O ATOM 525 CB ARG A 69 -16.077 35.921 15.702 1.00 30.61 C ATOM 526 CG ARG A 69 -15.298 36.203 16.959 1.00 53.20 C ATOM 527 CD ARG A 69 -15.207 37.691 17.244 1.00 82.77 C ATOM 528 NE ARG A 69 -15.587 37.974 18.630 1.00 97.51 N ATOM 529 CZ ARG A 69 -14.763 37.884 19.671 1.00 90.76 C ATOM 530 NH1 ARG A 69 -13.497 37.523 19.488 1.00 83.50 N ATOM 531 NH2 ARG A 69 -15.205 38.151 20.897 1.00 69.21 N ATOM 532 HE ARG A 69 -16.568 38.265 18.813 1.00 0.00 H ATOM 533 HH12 ARG A 69 -12.853 37.453 20.302 1.00 0.00 H ATOM 534 HH11 ARG A 69 -13.150 37.311 18.531 1.00 0.00 H ATOM 535 HH22 ARG A 69 -14.560 38.080 21.709 1.00 0.00 H ATOM 536 HH21 ARG A 69 -16.196 38.431 21.043 1.00 0.00 H ATOM 537 H ARG A 69 -14.715 33.815 14.106 1.00 0.00 H ATOM 538 N PHE A 70 -18.581 34.107 14.598 1.00 20.71 N ATOM 539 CA PHE A 70 -19.528 33.891 13.518 1.00 17.83 C ATOM 540 C PHE A 70 -20.934 34.184 14.005 1.00 19.62 C ATOM 541 O PHE A 70 -21.216 34.117 15.203 1.00 22.06 O ATOM 542 CB PHE A 70 -19.437 32.441 13.000 1.00 20.85 C ATOM 543 CG PHE A 70 -19.693 31.390 14.060 1.00 17.16 C ATOM 544 CD1 PHE A 70 -18.717 31.035 15.002 1.00 21.78 C ATOM 545 CD2 PHE A 70 -20.936 30.789 14.129 1.00 14.34 C ATOM 546 CE1 PHE A 70 -18.969 30.059 15.994 1.00 21.46 C ATOM 547 CE2 PHE A 70 -21.193 29.760 15.110 1.00 15.20 C ATOM 548 CZ PHE A 70 -20.218 29.435 16.071 1.00 19.27 C ATOM 549 H PHE A 70 -18.899 34.156 15.587 1.00 0.00 H ATOM 550 N THR A 71 -21.835 34.432 13.040 1.00 18.26 N ATOM 551 CA THR A 71 -23.254 34.562 13.315 1.00 18.77 C ATOM 552 C THR A 71 -23.961 33.377 12.662 1.00 19.87 C ATOM 553 O THR A 71 -24.071 33.315 11.417 1.00 17.31 O ATOM 554 CB THR A 71 -23.819 35.905 12.813 1.00 22.27 C ATOM 555 OG1 THR A 71 -23.190 36.984 13.546 1.00 24.54 O ATOM 556 CG2 THR A 71 -25.328 35.989 13.070 1.00 25.46 C ATOM 557 HG1 THR A 71 -22.212 36.956 13.397 1.00 0.00 H ATOM 558 H THR A 71 -21.503 34.535 12.060 1.00 0.00 H ATOM 559 N PRO A 72 -24.396 32.402 13.447 1.00 16.63 N ATOM 560 CA PRO A 72 -25.031 31.199 12.891 1.00 13.32 C ATOM 561 C PRO A 72 -26.412 31.534 12.390 1.00 16.62 C ATOM 562 O PRO A 72 -26.956 32.615 12.652 1.00 21.31 O ATOM 563 CB PRO A 72 -25.101 30.244 14.090 1.00 14.27 C ATOM 564 CG PRO A 72 -25.317 31.243 15.292 1.00 15.47 C ATOM 565 CD PRO A 72 -24.390 32.419 14.928 1.00 16.38 C ATOM 566 N ARG A 73 -26.933 30.647 11.531 1.00 14.77 N ATOM 567 CA ARG A 73 -28.262 30.877 10.985 1.00 14.29 C ATOM 568 C ARG A 73 -29.319 30.233 11.862 1.00 15.59 C ATOM 569 O ARG A 73 -29.103 29.185 12.465 1.00 16.22 O ATOM 570 CB ARG A 73 -28.362 30.309 9.550 1.00 15.58 C ATOM 571 CG ARG A 73 -28.237 28.788 9.487 1.00 14.17 C ATOM 572 CD ARG A 73 -28.227 28.458 7.951 1.00 20.46 C ATOM 573 NE ARG A 73 -26.922 28.818 7.414 1.00 18.23 N ATOM 574 CZ ARG A 73 -26.589 28.775 6.115 1.00 19.41 C ATOM 575 NH1 ARG A 73 -27.507 28.471 5.232 1.00 21.02 N ATOM 576 NH2 ARG A 73 -25.358 29.080 5.732 1.00 26.29 N ATOM 577 HE ARG A 73 -26.194 29.132 8.087 1.00 0.00 H ATOM 578 HH12 ARG A 73 -27.264 28.434 4.221 1.00 0.00 H ATOM 579 HH11 ARG A 73 -28.479 28.267 5.541 1.00 0.00 H ATOM 580 HH22 ARG A 73 -25.103 29.046 4.724 1.00 0.00 H ATOM 581 HH21 ARG A 73 -24.646 29.354 6.439 1.00 0.00 H ATOM 582 H ARG A 73 -26.392 29.802 11.257 1.00 0.00 H ATOM 583 N VAL A 74 -30.480 30.862 11.930 1.00 16.57 N ATOM 584 CA VAL A 74 -31.557 30.303 12.727 1.00 17.54 C ATOM 585 C VAL A 74 -32.290 29.223 11.938 1.00 17.10 C ATOM 586 O VAL A 74 -32.516 29.360 10.708 1.00 18.92 O ATOM 587 CB VAL A 74 -32.492 31.434 13.171 1.00 24.70 C ATOM 588 CG1 VAL A 74 -33.588 30.907 13.970 1.00 26.72 C ATOM 589 CG2 VAL A 74 -31.679 32.385 14.031 1.00 30.33 C ATOM 590 H VAL A 74 -30.621 31.754 11.414 1.00 0.00 H ATOM 591 N GLN A 75 -32.586 28.112 12.603 1.00 15.86 N ATOM 592 CA GLN A 75 -33.340 27.005 12.018 1.00 16.09 C ATOM 593 C GLN A 75 -34.593 26.713 12.842 1.00 16.69 C ATOM 594 O GLN A 75 -34.498 26.298 14.007 1.00 17.17 O ATOM 595 CB GLN A 75 -32.471 25.756 11.937 1.00 14.30 C ATOM 596 CG GLN A 75 -31.198 25.934 11.083 1.00 12.57 C ATOM 597 CD GLN A 75 -30.506 24.615 10.837 1.00 11.52 C ATOM 598 OE1 GLN A 75 -30.293 23.831 11.761 1.00 12.31 O ATOM 599 NE2 GLN A 75 -30.115 24.346 9.568 1.00 15.55 N ATOM 600 HE22 GLN A 75 -30.310 25.029 8.808 1.00 0.00 H ATOM 601 HE21 GLN A 75 -29.620 23.457 9.354 1.00 0.00 H ATOM 602 H GLN A 75 -32.265 28.026 13.589 1.00 0.00 H ATOM 603 N ARG A 76 -35.754 26.818 12.211 1.00 12.94 N ATOM 604 CA ARG A 76 -37.043 26.560 12.855 1.00 19.70 C ATOM 605 C ARG A 76 -37.481 25.156 12.445 1.00 12.57 C ATOM 606 O ARG A 76 -37.823 24.929 11.279 1.00 13.95 O ATOM 607 CB ARG A 76 -38.085 27.609 12.443 1.00 32.44 C ATOM 608 CG ARG A 76 -37.641 29.083 12.618 1.00 17.63 C ATOM 609 CD ARG A 76 -38.777 30.102 12.412 1.00 55.50 C ATOM 610 NE ARG A 76 -39.287 30.118 11.043 1.00 35.82 N ATOM 611 CZ ARG A 76 -40.503 29.709 10.693 1.00 56.13 C ATOM 612 NH1 ARG A 76 -41.342 29.258 11.614 1.00 56.13 N ATOM 613 NH2 ARG A 76 -40.882 29.748 9.422 1.00 28.08 N ATOM 614 HE ARG A 76 -38.659 30.472 10.294 1.00 0.00 H ATOM 615 HH12 ARG A 76 -42.293 28.938 11.339 1.00 0.00 H ATOM 616 HH11 ARG A 76 -41.050 29.224 12.612 1.00 0.00 H ATOM 617 HH22 ARG A 76 -41.834 29.427 9.153 1.00 0.00 H ATOM 618 HH21 ARG A 76 -40.227 30.100 8.695 1.00 0.00 H ATOM 619 H ARG A 76 -35.749 27.097 11.209 1.00 0.00 H ATOM 620 N LEU A 77 -37.423 24.204 13.392 1.00 19.77 N ATOM 621 CA LEU A 77 -37.502 22.784 13.027 1.00 17.92 C ATOM 622 C LEU A 77 -38.774 22.458 12.274 1.00 20.13 C ATOM 623 O LEU A 77 -38.753 21.638 11.356 1.00 21.58 O ATOM 624 CB LEU A 77 -37.419 21.876 14.259 1.00 16.54 C ATOM 625 CG LEU A 77 -35.982 21.432 14.580 1.00 24.79 C ATOM 626 CD1 LEU A 77 -35.071 22.614 14.883 1.00 22.36 C ATOM 627 CD2 LEU A 77 -35.953 20.405 15.750 1.00 25.03 C ATOM 628 H LEU A 77 -37.321 24.475 14.391 1.00 0.00 H ATOM 629 N ASN A 78 -39.893 23.084 12.649 1.00 19.23 N ATOM 630 CA ASN A 78 -41.180 22.730 12.059 1.00 19.95 C ATOM 631 C ASN A 78 -41.631 23.727 10.990 1.00 20.72 C ATOM 632 O ASN A 78 -42.841 23.828 10.722 1.00 21.67 O ATOM 633 CB ASN A 78 -42.253 22.608 13.154 1.00 20.71 C ATOM 634 CG ASN A 78 -42.496 23.914 13.894 1.00 26.46 C ATOM 635 OD1 ASN A 78 -41.883 24.942 13.617 1.00 27.59 O ATOM 636 ND2 ASN A 78 -43.453 23.887 14.824 1.00 27.97 N ATOM 637 HD22 ASN A 78 -43.951 22.998 15.032 1.00 0.00 H ATOM 638 HD21 ASN A 78 -43.701 24.755 15.341 1.00 0.00 H ATOM 639 H ASN A 78 -39.846 23.832 13.370 1.00 0.00 H ATOM 640 N GLU A 79 -40.695 24.444 10.353 1.00 18.77 N ATOM 641 CA GLU A 79 -41.111 25.516 9.431 1.00 22.34 C ATOM 642 C GLU A 79 -41.971 25.025 8.269 1.00 24.23 C ATOM 643 O GLU A 79 -42.853 25.775 7.798 1.00 24.38 O ATOM 644 CB GLU A 79 -39.890 26.284 8.909 1.00 24.03 C ATOM 645 CG GLU A 79 -38.972 25.462 8.019 1.00 20.32 C ATOM 646 CD GLU A 79 -37.772 26.250 7.475 1.00 30.17 C ATOM 647 OE1 GLU A 79 -37.653 27.475 7.759 1.00 31.53 O ATOM 648 OE2 GLU A 79 -36.951 25.635 6.744 1.00 32.23 O ATOM 649 H GLU A 79 -39.686 24.246 10.508 1.00 0.00 H ATOM 650 N LEU A 80 -41.763 23.794 7.774 1.00 20.50 N ATOM 651 CA LEU A 80 -42.606 23.368 6.654 1.00 20.02 C ATOM 652 C LEU A 80 -43.991 22.960 7.124 1.00 25.11 C ATOM 653 O LEU A 80 -44.995 23.282 6.474 1.00 28.10 O ATOM 654 CB LEU A 80 -41.996 22.196 5.900 1.00 24.79 C ATOM 655 CG LEU A 80 -40.773 22.347 5.050 1.00 33.52 C ATOM 656 CD1 LEU A 80 -40.725 21.128 4.191 1.00 31.07 C ATOM 657 CD2 LEU A 80 -40.914 23.578 4.203 1.00 29.81 C ATOM 658 H LEU A 80 -41.033 23.168 8.170 1.00 0.00 H ATOM 659 N GLU A 81 -44.056 22.209 8.229 1.00 25.73 N ATOM 660 CA GLU A 81 -45.348 21.855 8.793 1.00 33.86 C ATOM 661 C GLU A 81 -46.160 23.105 9.098 1.00 45.84 C ATOM 662 O GLU A 81 -47.370 23.153 8.844 1.00 43.18 O ATOM 663 CB GLU A 81 -45.143 21.015 10.058 1.00 34.15 C ATOM 664 CG GLU A 81 -46.416 20.387 10.579 1.00 73.37 C ATOM 665 CD GLU A 81 -47.009 19.387 9.605 1.00 86.04 C ATOM 666 OE1 GLU A 81 -46.231 18.716 8.895 1.00 67.95 O ATOM 667 OE2 GLU A 81 -48.254 19.276 9.548 1.00 97.62 O ATOM 668 H GLU A 81 -43.182 21.878 8.685 1.00 0.00 H ATOM 669 N ALA A 82 -45.501 24.144 9.603 1.00 26.49 N ATOM 670 CA ALA A 82 -46.187 25.364 9.998 1.00 28.03 C ATOM 671 C ALA A 82 -46.835 26.095 8.822 1.00 40.13 C ATOM 672 O ALA A 82 -47.646 26.995 9.058 1.00 41.74 O ATOM 673 CB ALA A 82 -45.214 26.297 10.725 1.00 35.22 C ATOM 674 H ALA A 82 -44.469 24.082 9.718 1.00 0.00 H ATOM 675 N MET A 83 -46.516 25.738 7.575 1.00 34.81 N ATOM 676 CA MET A 83 -47.196 26.352 6.421 1.00 34.22 C ATOM 677 C MET A 83 -48.663 25.926 6.467 1.00 69.68 C ATOM 678 O MET A 83 -49.514 26.544 5.841 1.00 93.80 O ATOM 679 CB MET A 83 -46.577 25.940 5.086 1.00 36.61 C ATOM 680 CG MET A 83 -45.121 26.354 4.891 1.00 29.45 C ATOM 681 SD MET A 83 -44.349 25.449 3.526 1.00 34.11 S ATOM 682 CE MET A 83 -45.266 25.970 2.057 1.00 28.16 C ATOM 683 H MET A 83 -45.781 25.020 7.417 1.00 0.00 H TER 684 MET A 83 ATOM 685 N GLY A 353 -41.352 37.475 9.687 1.00 83.71 N ATOM 686 CA GLY A 353 -39.958 37.239 9.351 1.00 66.95 C ATOM 687 C GLY A 353 -38.965 37.716 10.400 1.00 80.30 C ATOM 688 O GLY A 353 -37.777 37.865 10.111 1.00 64.00 O ATOM 689 HN3 GLY A 353 -41.510 38.496 9.811 1.00 0.00 H ATOM 690 HN2 GLY A 353 -41.583 36.978 10.571 1.00 0.00 H ATOM 691 HN1 GLY A 353 -41.957 37.120 8.919 1.00 0.00 H ATOM 692 N PHE A 354 -39.449 37.940 11.629 1.00 93.19 N ATOM 693 CA PHE A 354 -38.647 38.528 12.698 1.00 57.93 C ATOM 694 C PHE A 354 -38.587 37.649 13.944 1.00 46.85 C ATOM 695 O PHE A 354 -38.317 38.160 15.034 1.00 76.48 O ATOM 696 CB PHE A 354 -39.180 39.918 13.075 1.00 74.30 C ATOM 697 CG PHE A 354 -39.027 40.964 11.984 1.00 92.92 C ATOM 698 CD1 PHE A 354 -39.965 41.066 10.962 1.00 82.94 C ATOM 699 CD2 PHE A 354 -37.954 41.851 11.994 1.00 67.57 C ATOM 700 CE1 PHE A 354 -39.838 42.025 9.964 1.00 45.65 C ATOM 701 CE2 PHE A 354 -37.811 42.816 11.004 1.00 58.31 C ATOM 702 CZ PHE A 354 -38.755 42.905 9.981 1.00 34.73 C ATOM 703 H PHE A 354 -40.437 37.684 11.830 1.00 0.00 H ATOM 704 N GLU A 355 -38.813 36.337 13.808 1.00 87.70 N ATOM 705 CA GLU A 355 -38.941 35.442 14.959 1.00100.40 C ATOM 706 C GLU A 355 -37.766 35.567 15.927 1.00106.17 C ATOM 707 O GLU A 355 -37.937 36.051 17.050 1.00 95.21 O ATOM 708 CB GLU A 355 -39.089 33.988 14.495 1.00 91.60 C ATOM 709 H GLU A 355 -38.901 35.939 12.851 1.00 0.00 H ATOM 710 N GLN A 356 -36.575 35.146 15.509 1.00135.06 N ATOM 711 CA GLN A 356 -35.383 35.275 16.333 1.00117.19 C ATOM 712 C GLN A 356 -34.527 36.448 15.843 1.00132.47 C ATOM 713 O GLN A 356 -34.899 37.191 14.931 1.00135.32 O ATOM 714 CB GLN A 356 -34.593 33.963 16.342 1.00 80.08 C ATOM 715 H GLN A 356 -36.494 34.713 14.567 1.00 0.00 H ATOM 716 N ALA A 357 -33.355 36.609 16.463 1.00 85.60 N ATOM 717 CA ALA A 357 -32.488 37.762 16.193 1.00 94.10 C ATOM 718 C ALA A 357 -31.065 37.380 16.623 1.00 92.50 C ATOM 719 O ALA A 357 -30.675 37.668 17.754 1.00 35.00 O ATOM 720 CB ALA A 357 -32.980 38.986 16.941 1.00 29.02 C ATOM 721 H ALA A 357 -33.048 35.897 17.157 1.00 0.00 H ATOM 722 N VAL A 358 -30.288 36.790 15.691 1.00 35.50 N ATOM 723 CA VAL A 358 -29.176 35.898 16.050 1.00 83.57 C ATOM 724 C VAL A 358 -27.979 36.672 16.604 1.00 37.04 C ATOM 725 O VAL A 358 -27.494 37.643 16.006 1.00 46.46 O ATOM 726 CB VAL A 358 -28.765 35.028 14.847 1.00 46.42 C ATOM 727 H VAL A 358 -30.482 36.972 14.686 1.00 0.00 H ATOM 728 N ARG A 359 -27.484 36.226 17.756 1.00 31.87 N ATOM 729 CA ARG A 359 -26.241 36.727 18.285 1.00 30.67 C ATOM 730 C ARG A 359 -25.053 36.326 17.417 1.00 23.92 C ATOM 731 O ARG A 359 -25.072 35.326 16.673 1.00 25.30 O ATOM 732 CB ARG A 359 -26.015 36.201 19.719 1.00 31.20 C ATOM 733 CG ARG A 359 -26.981 36.792 20.759 1.00 55.84 C ATOM 734 CD ARG A 359 -26.794 36.183 22.165 1.00 54.22 C ATOM 735 NE ARG A 359 -27.380 34.848 22.235 1.00 69.83 N ATOM 736 CZ ARG A 359 -27.243 34.002 23.253 1.00 72.15 C ATOM 737 NH1 ARG A 359 -26.536 34.330 24.328 1.00 40.46 N ATOM 738 NH2 ARG A 359 -27.822 32.817 23.186 1.00 36.43 N ATOM 739 HE ARG A 359 -27.950 34.533 21.424 1.00 0.00 H ATOM 740 HH12 ARG A 359 -26.441 33.655 25.113 1.00 0.00 H ATOM 741 HH11 ARG A 359 -26.078 35.262 24.385 1.00 0.00 H ATOM 742 HH22 ARG A 359 -27.724 32.145 23.974 1.00 0.00 H ATOM 743 HH21 ARG A 359 -28.376 32.556 22.346 1.00 0.00 H ATOM 744 H ARG A 359 -28.006 35.500 18.286 1.00 0.00 H ATOM 745 N GLU A 360 -23.996 37.127 17.540 1.00 26.10 N ATOM 746 CA GLU A 360 -22.660 36.694 17.179 1.00 21.88 C ATOM 747 C GLU A 360 -22.035 35.925 18.338 1.00 28.15 C ATOM 748 O GLU A 360 -22.207 36.279 19.518 1.00 28.82 O ATOM 749 CB GLU A 360 -21.782 37.893 16.823 1.00 25.25 C ATOM 750 CG GLU A 360 -20.403 37.462 16.294 1.00 29.70 C ATOM 751 CD GLU A 360 -19.481 38.613 15.920 1.00 69.20 C ATOM 752 OE1 GLU A 360 -19.718 39.250 14.875 1.00 63.48 O ATOM 753 OE2 GLU A 360 -18.504 38.872 16.660 1.00 71.89 O ATOM 754 H GLU A 360 -24.133 38.091 17.906 1.00 0.00 H ATOM 755 N TYR A 361 -21.309 34.858 17.994 1.00 23.44 N ATOM 756 CA TYR A 361 -20.660 34.018 18.982 1.00 16.46 C ATOM 757 C TYR A 361 -19.172 33.856 18.682 1.00 19.53 C ATOM 758 O TYR A 361 -18.732 33.964 17.532 1.00 21.77 O ATOM 759 CB TYR A 361 -21.275 32.609 18.924 1.00 17.08 C ATOM 760 CG TYR A 361 -22.713 32.504 19.357 1.00 16.75 C ATOM 761 CD1 TYR A 361 -23.076 32.314 20.723 1.00 18.21 C ATOM 762 CD2 TYR A 361 -23.721 32.604 18.406 1.00 19.58 C ATOM 763 CE1 TYR A 361 -24.429 32.171 21.072 1.00 22.66 C ATOM 764 CE2 TYR A 361 -25.043 32.462 18.743 1.00 17.49 C ATOM 765 CZ TYR A 361 -25.396 32.258 20.066 1.00 19.32 C ATOM 766 OH TYR A 361 -26.730 32.141 20.342 1.00 23.66 O ATOM 767 HH TYR A 361 -27.102 31.370 19.845 1.00 0.00 H ATOM 768 H TYR A 361 -21.206 34.622 16.986 1.00 0.00 H ATOM 769 N THR A 362 -18.436 33.445 19.709 1.00 20.14 N ATOM 770 CA THR A 362 -17.156 32.765 19.538 1.00 23.21 C ATOM 771 C THR A 362 -17.379 31.259 19.633 1.00 22.77 C ATOM 772 O THR A 362 -18.468 30.793 19.972 1.00 20.39 O ATOM 773 CB THR A 362 -16.161 33.189 20.611 1.00 22.59 C ATOM 774 OG1 THR A 362 -16.630 32.767 21.899 1.00 23.71 O ATOM 775 CG2 THR A 362 -16.026 34.711 20.625 1.00 24.79 C ATOM 776 HG1 THR A 362 -15.980 33.045 22.593 1.00 0.00 H ATOM 777 H THR A 362 -18.786 33.615 20.673 1.00 0.00 H ATOM 778 N LEU A 363 -16.367 30.476 19.345 1.00 20.79 N ATOM 779 CA LEU A 363 -16.534 29.057 19.535 1.00 23.42 C ATOM 780 C LEU A 363 -16.907 28.716 20.946 1.00 27.11 C ATOM 781 O LEU A 363 -17.727 27.876 21.189 1.00 23.59 O ATOM 782 CB LEU A 363 -15.289 28.265 19.187 1.00 31.90 C ATOM 783 CG LEU A 363 -15.063 27.939 17.760 1.00 30.85 C ATOM 784 CD1 LEU A 363 -13.706 27.332 17.568 1.00 31.48 C ATOM 785 CD2 LEU A 363 -16.160 27.072 17.168 1.00 32.48 C ATOM 786 H LEU A 363 -15.471 30.867 18.990 1.00 0.00 H ATOM 787 N GLN A 364 -16.256 29.386 21.880 1.00 23.38 N ATOM 788 CA GLN A 364 -16.544 29.155 23.280 1.00 24.31 C ATOM 789 C GLN A 364 -17.963 29.585 23.622 1.00 23.58 C ATOM 790 O GLN A 364 -18.690 28.849 24.285 1.00 23.51 O ATOM 791 CB GLN A 364 -15.533 29.902 24.143 1.00 26.15 C ATOM 792 CG GLN A 364 -15.817 29.730 25.630 1.00 47.27 C ATOM 793 CD GLN A 364 -15.100 30.745 26.482 1.00 77.35 C ATOM 794 OE1 GLN A 364 -13.870 30.783 26.521 1.00 79.69 O ATOM 795 NE2 GLN A 364 -15.866 31.588 27.162 1.00 79.06 N ATOM 796 HE22 GLN A 364 -16.902 31.517 27.098 1.00 0.00 H ATOM 797 HE21 GLN A 364 -15.431 32.320 27.759 1.00 0.00 H ATOM 798 H GLN A 364 -15.533 30.083 21.608 1.00 0.00 H ATOM 799 N SER A 365 -18.390 30.790 23.180 1.00 21.97 N ATOM 800 CA SER A 365 -19.704 31.213 23.647 1.00 19.23 C ATOM 801 C SER A 365 -20.815 30.430 22.943 1.00 18.81 C ATOM 802 O SER A 365 -21.879 30.184 23.533 1.00 20.64 O ATOM 803 CB SER A 365 -19.875 32.718 23.505 1.00 22.35 C ATOM 804 OG SER A 365 -19.970 33.141 22.163 1.00 21.34 O ATOM 805 HG SER A 365 -20.079 34.125 22.135 1.00 0.00 H ATOM 806 H SER A 365 -17.815 31.379 22.545 1.00 0.00 H ATOM 807 N PHE A 366 -20.579 29.980 21.710 1.00 16.82 N ATOM 808 CA PHE A 366 -21.572 29.113 21.071 1.00 13.40 C ATOM 809 C PHE A 366 -21.663 27.779 21.799 1.00 17.08 C ATOM 810 O PHE A 366 -22.756 27.234 21.973 1.00 17.44 O ATOM 811 CB PHE A 366 -21.195 28.917 19.580 1.00 15.55 C ATOM 812 CG PHE A 366 -22.197 28.160 18.792 1.00 13.15 C ATOM 813 CD1 PHE A 366 -22.117 26.748 18.716 1.00 15.35 C ATOM 814 CD2 PHE A 366 -23.231 28.816 18.109 1.00 16.88 C ATOM 815 CE1 PHE A 366 -23.008 26.015 18.038 1.00 14.60 C ATOM 816 CE2 PHE A 366 -24.156 28.051 17.368 1.00 16.98 C ATOM 817 CZ PHE A 366 -24.041 26.640 17.328 1.00 14.14 C ATOM 818 H PHE A 366 -19.705 30.240 21.210 1.00 0.00 H ATOM 819 N GLY A 367 -20.525 27.254 22.240 1.00 15.58 N ATOM 820 CA GLY A 367 -20.548 25.994 22.962 1.00 16.67 C ATOM 821 C GLY A 367 -21.308 26.103 24.276 1.00 20.30 C ATOM 822 O GLY A 367 -22.064 25.191 24.628 1.00 17.82 O ATOM 823 H GLY A 367 -19.623 27.742 22.069 1.00 0.00 H ATOM 824 N GLU A 368 -21.135 27.219 25.001 1.00 18.66 N ATOM 825 CA GLU A 368 -21.883 27.426 26.242 1.00 15.36 C ATOM 826 C GLU A 368 -23.376 27.485 25.953 1.00 20.02 C ATOM 827 O GLU A 368 -24.180 26.799 26.610 1.00 17.53 O ATOM 828 CB GLU A 368 -21.408 28.733 26.882 1.00 21.70 C ATOM 829 CG GLU A 368 -19.933 28.681 27.263 1.00 30.14 C ATOM 830 CD GLU A 368 -19.354 30.045 27.685 1.00 90.89 C ATOM 831 OE1 GLU A 368 -19.831 31.106 27.202 1.00 76.19 O ATOM 832 OE2 GLU A 368 -18.402 30.047 28.501 1.00 74.49 O ATOM 833 H GLU A 368 -20.463 27.944 24.678 1.00 0.00 H ATOM 834 N MET A 369 -23.755 28.226 24.891 1.00 18.03 N ATOM 835 CA MET A 369 -25.156 28.287 24.488 1.00 16.06 C ATOM 836 C MET A 369 -25.670 26.888 24.140 1.00 17.32 C ATOM 837 O MET A 369 -26.779 26.493 24.552 1.00 17.82 O ATOM 838 CB MET A 369 -25.301 29.260 23.293 1.00 14.70 C ATOM 839 CG MET A 369 -26.669 29.354 22.685 1.00 17.85 C ATOM 840 SD MET A 369 -27.133 28.021 21.562 1.00 18.44 S ATOM 841 CE MET A 369 -25.939 28.372 20.213 1.00 14.74 C ATOM 842 H MET A 369 -23.041 28.759 24.354 1.00 0.00 H ATOM 843 N ALA A 370 -24.877 26.123 23.385 1.00 15.20 N ATOM 844 CA ALA A 370 -25.369 24.849 22.873 1.00 11.71 C ATOM 845 C ALA A 370 -25.578 23.858 24.005 1.00 13.79 C ATOM 846 O ALA A 370 -26.594 23.127 24.042 1.00 14.35 O ATOM 847 CB ALA A 370 -24.383 24.269 21.837 1.00 13.18 C ATOM 848 H ALA A 370 -23.910 26.435 23.163 1.00 0.00 H ATOM 849 N ASP A 371 -24.621 23.822 24.918 1.00 15.95 N ATOM 850 CA ASP A 371 -24.702 22.875 26.026 1.00 19.16 C ATOM 851 C ASP A 371 -25.829 23.259 26.991 1.00 14.76 C ATOM 852 O ASP A 371 -26.589 22.398 27.429 1.00 18.42 O ATOM 853 CB ASP A 371 -23.364 22.845 26.766 1.00 17.71 C ATOM 854 CG ASP A 371 -22.303 21.974 26.086 1.00 23.89 C ATOM 855 OD1 ASP A 371 -22.581 21.199 25.129 1.00 20.53 O ATOM 856 OD2 ASP A 371 -21.137 22.066 26.542 1.00 28.56 O ATOM 857 H ASP A 371 -23.810 24.469 24.846 1.00 0.00 H ATOM 858 N ASN A 372 -25.968 24.546 27.295 1.00 18.41 N ATOM 859 CA ASN A 372 -27.102 24.996 28.100 1.00 19.01 C ATOM 860 C ASN A 372 -28.429 24.637 27.440 1.00 18.64 C ATOM 861 O ASN A 372 -29.358 24.186 28.116 1.00 18.77 O ATOM 862 CB ASN A 372 -27.018 26.505 28.331 1.00 19.38 C ATOM 863 CG ASN A 372 -25.924 26.872 29.321 1.00 32.67 C ATOM 864 OD1 ASN A 372 -25.498 26.038 30.120 1.00 33.51 O ATOM 865 ND2 ASN A 372 -25.476 28.116 29.284 1.00 31.56 N ATOM 866 HD22 ASN A 372 -25.864 28.788 28.592 1.00 0.00 H ATOM 867 HD21 ASN A 372 -24.735 28.422 29.947 1.00 0.00 H ATOM 868 H ASN A 372 -25.266 25.236 26.958 1.00 0.00 H ATOM 869 N PHE A 373 -28.542 24.817 26.109 1.00 15.41 N ATOM 870 CA PHE A 373 -29.793 24.461 25.452 1.00 14.72 C ATOM 871 C PHE A 373 -30.124 22.998 25.667 1.00 18.49 C ATOM 872 O PHE A 373 -31.272 22.647 25.982 1.00 15.93 O ATOM 873 CB PHE A 373 -29.709 24.781 23.936 1.00 13.51 C ATOM 874 CG PHE A 373 -30.863 24.237 23.176 1.00 13.51 C ATOM 875 CD1 PHE A 373 -32.050 24.937 23.103 1.00 23.09 C ATOM 876 CD2 PHE A 373 -30.777 22.968 22.561 1.00 16.19 C ATOM 877 CE1 PHE A 373 -33.142 24.394 22.380 1.00 22.52 C ATOM 878 CE2 PHE A 373 -31.878 22.400 21.892 1.00 17.65 C ATOM 879 CZ PHE A 373 -33.059 23.117 21.803 1.00 19.45 C ATOM 880 H PHE A 373 -27.748 25.204 25.559 1.00 0.00 H ATOM 881 N LYS A 374 -29.160 22.127 25.393 1.00 14.89 N ATOM 882 CA LYS A 374 -29.458 20.704 25.387 1.00 15.59 C ATOM 883 C LYS A 374 -29.701 20.182 26.796 1.00 14.81 C ATOM 884 O LYS A 374 -30.626 19.383 27.001 1.00 15.08 O ATOM 885 CB LYS A 374 -28.317 19.939 24.719 1.00 14.23 C ATOM 886 CG LYS A 374 -28.580 18.424 24.691 1.00 15.01 C ATOM 887 CD LYS A 374 -27.405 17.686 24.045 1.00 11.36 C ATOM 888 CE LYS A 374 -27.739 16.209 24.000 1.00 13.56 C ATOM 889 NZ LYS A 374 -26.600 15.478 23.359 1.00 17.29 N ATOM 890 HZ1 LYS A 374 -26.458 15.838 22.394 1.00 0.00 H ATOM 891 HZ2 LYS A 374 -25.735 15.628 23.917 1.00 0.00 H ATOM 892 HZ3 LYS A 374 -26.818 14.462 23.323 1.00 0.00 H ATOM 893 H LYS A 374 -28.197 22.461 25.184 1.00 0.00 H ATOM 894 N SER A 375 -28.859 20.578 27.755 1.00 13.91 N ATOM 895 CA SER A 375 -29.059 20.113 29.133 1.00 13.81 C ATOM 896 C SER A 375 -30.373 20.639 29.703 1.00 16.64 C ATOM 897 O SER A 375 -31.056 19.904 30.421 1.00 22.44 O ATOM 898 CB SER A 375 -27.863 20.495 29.991 1.00 21.17 C ATOM 899 OG SER A 375 -27.755 21.865 30.126 1.00 23.80 O ATOM 900 HG SER A 375 -27.644 22.276 29.232 1.00 0.00 H ATOM 901 H SER A 375 -28.067 21.212 27.527 1.00 0.00 H ATOM 902 N ASP A 376 -30.792 21.867 29.339 1.00 17.18 N ATOM 903 CA ASP A 376 -32.112 22.359 29.758 1.00 19.41 C ATOM 904 C ASP A 376 -33.252 21.601 29.084 1.00 18.65 C ATOM 905 O ASP A 376 -34.245 21.239 29.746 1.00 23.81 O ATOM 906 CB ASP A 376 -32.237 23.852 29.475 1.00 22.96 C ATOM 907 H ASP A 376 -30.177 22.471 28.757 1.00 0.00 H ATOM 908 N TYR A 377 -33.103 21.309 27.780 1.00 18.14 N ATOM 909 CA TYR A 377 -34.153 20.643 27.031 1.00 17.23 C ATOM 910 C TYR A 377 -34.432 19.255 27.602 1.00 17.33 C ATOM 911 O TYR A 377 -35.592 18.871 27.778 1.00 19.64 O ATOM 912 CB TYR A 377 -33.769 20.537 25.539 1.00 15.30 C ATOM 913 CG TYR A 377 -34.966 20.161 24.715 1.00 19.22 C ATOM 914 CD1 TYR A 377 -35.812 21.153 24.234 1.00 21.48 C ATOM 915 CD2 TYR A 377 -35.294 18.814 24.487 1.00 15.62 C ATOM 916 CE1 TYR A 377 -36.953 20.832 23.518 1.00 25.07 C ATOM 917 CE2 TYR A 377 -36.435 18.483 23.765 1.00 20.61 C ATOM 918 CZ TYR A 377 -37.250 19.517 23.288 1.00 22.54 C ATOM 919 OH TYR A 377 -38.412 19.228 22.597 1.00 25.53 O ATOM 920 HH TYR A 377 -38.859 20.072 22.337 1.00 0.00 H ATOM 921 H TYR A 377 -32.218 21.565 27.298 1.00 0.00 H ATOM 922 N PHE A 378 -33.381 18.482 27.854 1.00 16.27 N ATOM 923 CA PHE A 378 -33.549 17.111 28.323 1.00 14.12 C ATOM 924 C PHE A 378 -33.456 16.965 29.841 1.00 19.99 C ATOM 925 O PHE A 378 -33.714 15.872 30.345 1.00 19.47 O ATOM 926 CB PHE A 378 -32.516 16.231 27.665 1.00 13.77 C ATOM 927 CG PHE A 378 -32.749 16.082 26.197 1.00 13.69 C ATOM 928 CD1 PHE A 378 -33.715 15.188 25.743 1.00 19.66 C ATOM 929 CD2 PHE A 378 -32.055 16.859 25.284 1.00 13.87 C ATOM 930 CE1 PHE A 378 -33.949 15.015 24.371 1.00 18.21 C ATOM 931 CE2 PHE A 378 -32.279 16.713 23.875 1.00 15.08 C ATOM 932 CZ PHE A 378 -33.231 15.822 23.418 1.00 15.79 C ATOM 933 H PHE A 378 -32.423 18.861 27.715 1.00 0.00 H ATOM 934 N ASN A 379 -33.148 18.031 30.576 1.00 17.50 N ATOM 935 CA ASN A 379 -33.013 17.937 32.063 1.00 19.93 C ATOM 936 C ASN A 379 -31.984 16.890 32.491 1.00 17.32 C ATOM 937 O ASN A 379 -32.205 16.111 33.428 1.00 19.52 O ATOM 938 CB ASN A 379 -34.373 17.628 32.699 1.00 21.07 C ATOM 939 CG ASN A 379 -34.553 18.252 34.049 1.00 36.40 C ATOM 940 OD1 ASN A 379 -34.117 19.376 34.296 1.00 41.70 O ATOM 941 ND2 ASN A 379 -35.225 17.522 34.941 1.00 42.22 N ATOM 942 HD22 ASN A 379 -35.573 16.577 34.683 1.00 0.00 H ATOM 943 HD21 ASN A 379 -35.401 17.898 35.894 1.00 0.00 H ATOM 944 H ASN A 379 -32.998 18.947 30.107 1.00 0.00 H ATOM 945 N MET A 380 -30.854 16.845 31.799 1.00 19.20 N ATOM 946 CA MET A 380 -29.793 15.933 32.190 1.00 18.96 C ATOM 947 C MET A 380 -28.498 16.425 31.575 1.00 14.72 C ATOM 948 O MET A 380 -28.512 17.235 30.636 1.00 16.79 O ATOM 949 CB MET A 380 -30.114 14.485 31.777 1.00 29.06 C ATOM 950 CG MET A 380 -30.278 14.287 30.421 1.00 21.60 C ATOM 951 SD MET A 380 -30.638 12.503 29.974 1.00 25.62 S ATOM 952 CE MET A 380 -32.381 12.535 29.661 1.00 31.74 C ATOM 953 H MET A 380 -30.727 17.465 30.974 1.00 0.00 H ATOM 954 N PRO A 381 -27.353 15.924 32.045 1.00 14.81 N ATOM 955 CA PRO A 381 -26.077 16.365 31.466 1.00 16.73 C ATOM 956 C PRO A 381 -25.993 15.980 29.996 1.00 18.60 C ATOM 957 O PRO A 381 -26.537 14.958 29.583 1.00 17.86 O ATOM 958 CB PRO A 381 -25.034 15.613 32.300 1.00 18.87 C ATOM 959 CG PRO A 381 -25.721 15.257 33.626 1.00 20.17 C ATOM 960 CD PRO A 381 -27.168 15.017 33.195 1.00 16.52 C ATOM 961 N VAL A 382 -25.350 16.836 29.191 1.00 19.53 N ATOM 962 CA VAL A 382 -25.470 16.677 27.742 1.00 20.13 C ATOM 963 C VAL A 382 -24.927 15.336 27.272 1.00 18.90 C ATOM 964 O VAL A 382 -25.464 14.746 26.312 1.00 21.43 O ATOM 965 CB VAL A 382 -24.785 17.835 26.966 1.00 20.28 C ATOM 966 CG1 VAL A 382 -25.418 19.169 27.225 1.00 22.06 C ATOM 967 CG2 VAL A 382 -23.299 17.908 27.263 1.00 23.88 C ATOM 968 H VAL A 382 -24.773 17.603 29.591 1.00 0.00 H ATOM 969 N HIS A 383 -23.872 14.829 27.926 1.00 23.04 N ATOM 970 CA HIS A 383 -23.275 13.570 27.470 1.00 32.17 C ATOM 971 C HIS A 383 -24.090 12.352 27.874 1.00 31.21 C ATOM 972 O HIS A 383 -23.814 11.243 27.407 1.00 35.42 O ATOM 973 CB HIS A 383 -21.838 13.465 27.999 1.00 41.39 C ATOM 974 CG HIS A 383 -21.724 13.590 29.490 1.00 56.45 C ATOM 975 ND1 HIS A 383 -21.958 14.771 30.167 1.00 45.05 N ATOM 976 CD2 HIS A 383 -21.395 12.675 30.437 1.00 60.65 C ATOM 977 CE1 HIS A 383 -21.776 14.575 31.464 1.00 51.51 C ATOM 978 NE2 HIS A 383 -21.442 13.311 31.653 1.00 49.20 N ATOM 979 H HIS A 383 -23.480 15.326 28.751 1.00 0.00 H ATOM 980 N MET A 384 -25.089 12.520 28.724 1.00 22.10 N ATOM 981 CA MET A 384 -25.931 11.433 29.163 1.00 21.68 C ATOM 982 C MET A 384 -27.200 11.261 28.343 1.00 21.96 C ATOM 983 O MET A 384 -27.925 10.295 28.570 1.00 21.35 O ATOM 984 CB MET A 384 -26.319 11.642 30.630 1.00 20.43 C ATOM 985 CG MET A 384 -25.113 11.649 31.593 1.00 29.93 C ATOM 986 SD MET A 384 -24.425 9.961 31.776 1.00 36.71 S ATOM 987 CE MET A 384 -23.198 9.882 30.472 1.00 64.04 C ATOM 988 H MET A 384 -25.276 13.475 29.091 1.00 0.00 H ATOM 989 N VAL A 385 -27.478 12.140 27.377 1.00 15.22 N ATOM 990 CA VAL A 385 -28.728 11.982 26.636 1.00 16.74 C ATOM 991 C VAL A 385 -28.521 10.910 25.580 1.00 17.73 C ATOM 992 O VAL A 385 -27.617 11.054 24.743 1.00 18.73 O ATOM 993 CB VAL A 385 -29.121 13.317 25.963 1.00 16.41 C ATOM 994 CG1 VAL A 385 -30.483 13.150 25.292 1.00 16.83 C ATOM 995 CG2 VAL A 385 -29.157 14.474 27.033 1.00 13.87 C ATOM 996 H VAL A 385 -26.822 12.917 27.158 1.00 0.00 H ATOM 997 N PRO A 386 -29.306 9.825 25.583 1.00 19.50 N ATOM 998 CA PRO A 386 -29.161 8.782 24.540 1.00 17.89 C ATOM 999 C PRO A 386 -29.266 9.353 23.125 1.00 15.46 C ATOM 1000 O PRO A 386 -30.155 10.169 22.846 1.00 16.64 O ATOM 1001 CB PRO A 386 -30.334 7.836 24.820 1.00 24.53 C ATOM 1002 CG PRO A 386 -30.718 8.084 26.197 1.00 26.91 C ATOM 1003 CD PRO A 386 -30.419 9.554 26.515 1.00 19.65 C ATOM 1004 N THR A 387 -28.416 8.847 22.207 1.00 17.42 N ATOM 1005 CA THR A 387 -28.486 9.311 20.806 1.00 15.93 C ATOM 1006 C THR A 387 -29.834 8.961 20.206 1.00 16.82 C ATOM 1007 O THR A 387 -30.365 9.741 19.396 1.00 15.54 O ATOM 1008 CB THR A 387 -27.342 8.755 19.936 1.00 17.52 C ATOM 1009 OG1 THR A 387 -27.281 7.308 20.044 1.00 20.27 O ATOM 1010 CG2 THR A 387 -26.002 9.346 20.350 1.00 21.20 C ATOM 1011 HG1 THR A 387 -26.542 6.967 19.480 1.00 0.00 H ATOM 1012 H THR A 387 -27.713 8.132 22.485 1.00 0.00 H ATOM 1013 N GLU A 388 -30.429 7.831 20.617 1.00 17.61 N ATOM 1014 CA GLU A 388 -31.735 7.446 20.107 1.00 16.07 C ATOM 1015 C GLU A 388 -32.821 8.409 20.549 1.00 16.71 C ATOM 1016 O GLU A 388 -33.799 8.585 19.827 1.00 16.97 O ATOM 1017 CB GLU A 388 -32.120 6.046 20.606 1.00 21.26 C ATOM 1018 CG GLU A 388 -31.108 4.981 20.202 1.00 34.78 C ATOM 1019 CD GLU A 388 -29.924 4.830 21.177 1.00 57.96 C ATOM 1020 OE1 GLU A 388 -29.089 3.937 20.910 1.00 66.26 O ATOM 1021 OE2 GLU A 388 -29.816 5.580 22.192 1.00 24.12 O ATOM 1022 H GLU A 388 -29.949 7.222 21.310 1.00 0.00 H ATOM 1023 N LEU A 389 -32.711 8.968 21.763 1.00 16.00 N ATOM 1024 CA LEU A 389 -33.704 9.913 22.240 1.00 15.46 C ATOM 1025 C LEU A 389 -33.614 11.227 21.487 1.00 14.78 C ATOM 1026 O LEU A 389 -34.646 11.784 21.099 1.00 16.26 O ATOM 1027 CB LEU A 389 -33.525 10.153 23.749 1.00 17.73 C ATOM 1028 CG LEU A 389 -34.493 11.179 24.329 1.00 17.60 C ATOM 1029 CD1 LEU A 389 -35.918 10.775 24.088 1.00 26.89 C ATOM 1030 CD2 LEU A 389 -34.219 11.443 25.841 1.00 20.36 C ATOM 1031 H LEU A 389 -31.904 8.721 22.371 1.00 0.00 H ATOM 1032 N VAL A 390 -32.399 11.723 21.255 1.00 12.95 N ATOM 1033 CA VAL A 390 -32.276 12.961 20.489 1.00 11.67 C ATOM 1034 C VAL A 390 -32.892 12.761 19.107 1.00 14.75 C ATOM 1035 O VAL A 390 -33.585 13.640 18.589 1.00 15.73 O ATOM 1036 CB VAL A 390 -30.801 13.431 20.376 1.00 12.18 C ATOM 1037 CG1 VAL A 390 -30.700 14.768 19.544 1.00 16.02 C ATOM 1038 CG2 VAL A 390 -30.181 13.755 21.806 1.00 15.39 C ATOM 1039 H VAL A 390 -31.552 11.237 21.613 1.00 0.00 H ATOM 1040 N GLU A 391 -32.613 11.621 18.479 1.00 15.19 N ATOM 1041 CA GLU A 391 -33.123 11.333 17.142 1.00 13.38 C ATOM 1042 C GLU A 391 -34.656 11.297 17.124 1.00 12.96 C ATOM 1043 O GLU A 391 -35.291 11.890 16.239 1.00 15.33 O ATOM 1044 CB GLU A 391 -32.522 10.002 16.682 1.00 15.09 C ATOM 1045 CG GLU A 391 -33.012 9.545 15.319 1.00 13.21 C ATOM 1046 CD GLU A 391 -32.340 8.241 14.889 1.00 14.69 C ATOM 1047 OE1 GLU A 391 -32.504 7.226 15.605 1.00 17.20 O ATOM 1048 OE2 GLU A 391 -31.697 8.197 13.811 1.00 14.78 O ATOM 1049 H GLU A 391 -32.015 10.916 18.954 1.00 0.00 H ATOM 1050 N LYS A 392 -35.262 10.568 18.079 1.00 14.97 N ATOM 1051 CA LYS A 392 -36.720 10.495 18.139 1.00 18.71 C ATOM 1052 C LYS A 392 -37.339 11.866 18.387 1.00 16.33 C ATOM 1053 O LYS A 392 -38.350 12.223 17.764 1.00 20.13 O ATOM 1054 CB LYS A 392 -37.133 9.501 19.231 1.00 25.34 C ATOM 1055 CG LYS A 392 -38.632 9.334 19.394 1.00 41.99 C ATOM 1056 CD LYS A 392 -38.948 8.233 20.407 1.00 49.63 C ATOM 1057 CE LYS A 392 -38.195 8.450 21.708 1.00 33.94 C ATOM 1058 NZ LYS A 392 -38.594 7.484 22.792 1.00 60.61 N ATOM 1059 HZ1 LYS A 392 -39.609 7.591 22.994 1.00 0.00 H ATOM 1060 HZ2 LYS A 392 -38.403 6.512 22.476 1.00 0.00 H ATOM 1061 HZ3 LYS A 392 -38.045 7.684 23.652 1.00 0.00 H ATOM 1062 H LYS A 392 -34.689 10.054 18.778 1.00 0.00 H ATOM 1063 N GLU A 393 -36.708 12.668 19.253 1.00 16.95 N ATOM 1064 CA GLU A 393 -37.229 14.002 19.574 1.00 15.97 C ATOM 1065 C GLU A 393 -37.091 14.942 18.380 1.00 15.39 C ATOM 1066 O GLU A 393 -37.970 15.772 18.133 1.00 16.23 O ATOM 1067 CB GLU A 393 -36.478 14.583 20.779 1.00 18.43 C ATOM 1068 CG GLU A 393 -37.133 14.446 22.149 1.00 45.50 C ATOM 1069 CD GLU A 393 -38.551 15.032 22.193 1.00 49.60 C ATOM 1070 OE1 GLU A 393 -39.463 14.256 21.892 1.00 30.19 O ATOM 1071 OE2 GLU A 393 -38.762 16.240 22.499 1.00 40.45 O ATOM 1072 H GLU A 393 -35.832 12.340 19.707 1.00 0.00 H ATOM 1073 N PHE A 394 -35.979 14.834 17.652 1.00 13.39 N ATOM 1074 CA PHE A 394 -35.768 15.684 16.476 1.00 13.97 C ATOM 1075 C PHE A 394 -36.901 15.501 15.487 1.00 15.54 C ATOM 1076 O PHE A 394 -37.523 16.488 15.055 1.00 15.96 O ATOM 1077 CB PHE A 394 -34.422 15.361 15.837 1.00 13.09 C ATOM 1078 CG PHE A 394 -34.165 16.122 14.559 1.00 13.65 C ATOM 1079 CD1 PHE A 394 -33.835 17.475 14.588 1.00 14.86 C ATOM 1080 CD2 PHE A 394 -34.314 15.493 13.329 1.00 13.27 C ATOM 1081 CE1 PHE A 394 -33.609 18.202 13.389 1.00 13.99 C ATOM 1082 CE2 PHE A 394 -34.104 16.230 12.101 1.00 11.69 C ATOM 1083 CZ PHE A 394 -33.735 17.539 12.120 1.00 11.80 C ATOM 1084 H PHE A 394 -35.253 14.139 17.921 1.00 0.00 H ATOM 1085 N TRP A 395 -37.207 14.238 15.141 1.00 15.00 N ATOM 1086 CA TRP A 395 -38.223 14.027 14.111 1.00 15.70 C ATOM 1087 C TRP A 395 -39.615 14.336 14.642 1.00 16.82 C ATOM 1088 O TRP A 395 -40.472 14.782 13.871 1.00 19.84 O ATOM 1089 CB TRP A 395 -38.116 12.590 13.576 1.00 15.96 C ATOM 1090 CG TRP A 395 -36.875 12.444 12.754 1.00 16.20 C ATOM 1091 CD1 TRP A 395 -35.755 11.685 13.036 1.00 13.06 C ATOM 1092 CD2 TRP A 395 -36.591 13.129 11.548 1.00 13.77 C ATOM 1093 NE1 TRP A 395 -34.795 11.873 12.071 1.00 14.35 N ATOM 1094 CE2 TRP A 395 -35.287 12.757 11.140 1.00 11.49 C ATOM 1095 CE3 TRP A 395 -37.299 14.067 10.780 1.00 16.73 C ATOM 1096 CZ2 TRP A 395 -34.682 13.257 9.973 1.00 14.29 C ATOM 1097 CZ3 TRP A 395 -36.686 14.549 9.596 1.00 13.73 C ATOM 1098 CH2 TRP A 395 -35.391 14.161 9.232 1.00 12.75 C ATOM 1099 HE1 TRP A 395 -33.857 11.424 12.049 1.00 0.00 H ATOM 1100 H TRP A 395 -36.733 13.431 15.595 1.00 0.00 H ATOM 1101 N ARG A 396 -39.847 14.158 15.939 1.00 15.50 N ATOM 1102 CA ARG A 396 -41.128 14.603 16.503 1.00 16.10 C ATOM 1103 C ARG A 396 -41.279 16.117 16.354 1.00 21.16 C ATOM 1104 O ARG A 396 -42.339 16.620 15.949 1.00 19.69 O ATOM 1105 CB ARG A 396 -41.235 14.211 17.988 1.00 23.38 C ATOM 1106 CG ARG A 396 -42.593 14.567 18.589 1.00 23.40 C ATOM 1107 CD ARG A 396 -42.654 14.312 20.106 1.00 23.53 C ATOM 1108 NE ARG A 396 -41.847 15.271 20.861 1.00 25.00 N ATOM 1109 CZ ARG A 396 -42.233 16.529 21.113 1.00 27.17 C ATOM 1110 NH1 ARG A 396 -43.420 16.969 20.699 1.00 35.22 N ATOM 1111 NH2 ARG A 396 -41.459 17.337 21.808 1.00 32.21 N ATOM 1112 HE ARG A 396 -40.923 14.959 21.222 1.00 0.00 H ATOM 1113 HH12 ARG A 396 -43.711 17.947 20.899 1.00 0.00 H ATOM 1114 HH11 ARG A 396 -44.056 16.334 20.175 1.00 0.00 H ATOM 1115 HH22 ARG A 396 -41.765 18.312 22.000 1.00 0.00 H ATOM 1116 HH21 ARG A 396 -40.542 17.000 22.165 1.00 0.00 H ATOM 1117 H ARG A 396 -39.131 13.710 16.546 1.00 0.00 H ATOM 1118 N LEU A 397 -40.211 16.857 16.649 1.00 17.65 N ATOM 1119 CA LEU A 397 -40.270 18.317 16.585 1.00 17.73 C ATOM 1120 C LEU A 397 -40.458 18.818 15.161 1.00 14.27 C ATOM 1121 O LEU A 397 -41.100 19.869 14.950 1.00 19.74 O ATOM 1122 CB LEU A 397 -39.004 18.903 17.194 1.00 15.71 C ATOM 1123 CG LEU A 397 -38.958 18.733 18.724 1.00 18.99 C ATOM 1124 CD1 LEU A 397 -37.526 19.118 19.206 1.00 17.82 C ATOM 1125 CD2 LEU A 397 -40.043 19.602 19.406 1.00 21.03 C ATOM 1126 H LEU A 397 -39.324 16.391 16.928 1.00 0.00 H ATOM 1127 N VAL A 398 -39.839 18.158 14.188 1.00 14.19 N ATOM 1128 CA VAL A 398 -39.948 18.582 12.791 1.00 15.62 C ATOM 1129 C VAL A 398 -41.401 18.569 12.332 1.00 22.30 C ATOM 1130 O VAL A 398 -41.819 19.436 11.546 1.00 21.42 O ATOM 1131 CB VAL A 398 -39.050 17.676 11.927 1.00 18.39 C ATOM 1132 CG1 VAL A 398 -39.394 17.801 10.398 1.00 20.33 C ATOM 1133 CG2 VAL A 398 -37.583 18.059 12.199 1.00 16.99 C ATOM 1134 H VAL A 398 -39.265 17.323 14.424 1.00 0.00 H ATOM 1135 N SER A 399 -42.194 17.617 12.826 1.00 21.25 N ATOM 1136 CA SER A 399 -43.595 17.516 12.433 1.00 27.31 C ATOM 1137 C SER A 399 -44.571 18.125 13.417 1.00 23.65 C ATOM 1138 O SER A 399 -45.786 18.019 13.195 1.00 28.01 O ATOM 1139 CB SER A 399 -43.961 16.053 12.206 1.00 24.95 C ATOM 1140 OG SER A 399 -43.328 15.620 10.999 1.00 32.26 O ATOM 1141 HG SER A 399 -42.347 15.717 11.089 1.00 0.00 H ATOM 1142 H SER A 399 -41.805 16.932 13.506 1.00 0.00 H ATOM 1143 N SER A 400 -44.094 18.749 14.495 1.00 20.29 N ATOM 1144 CA SER A 400 -44.980 19.225 15.553 1.00 22.80 C ATOM 1145 C SER A 400 -45.573 20.587 15.237 1.00 37.29 C ATOM 1146 O SER A 400 -44.838 21.544 14.980 1.00 39.50 O ATOM 1147 CB SER A 400 -44.242 19.316 16.881 1.00 24.81 C ATOM 1148 OG SER A 400 -45.119 19.842 17.881 1.00 32.62 O ATOM 1149 HG SER A 400 -44.637 19.900 18.744 1.00 0.00 H ATOM 1150 H SER A 400 -43.069 18.900 14.584 1.00 0.00 H ATOM 1151 N ILE A 401 -46.902 20.680 15.300 1.00 41.40 N ATOM 1152 CA ILE A 401 -47.562 21.982 15.246 1.00 45.72 C ATOM 1153 C ILE A 401 -47.654 22.634 16.627 1.00 45.42 C ATOM 1154 O ILE A 401 -47.714 23.864 16.728 1.00 56.55 O ATOM 1155 CB ILE A 401 -48.960 21.845 14.615 1.00 45.99 C ATOM 1156 H ILE A 401 -47.475 19.816 15.389 1.00 0.00 H ATOM 1157 N GLU A 402 -47.644 21.844 17.697 1.00 35.26 N ATOM 1158 CA GLU A 402 -47.951 22.359 19.024 1.00 69.50 C ATOM 1159 C GLU A 402 -46.746 22.972 19.731 1.00 66.59 C ATOM 1160 O GLU A 402 -46.927 23.711 20.702 1.00 48.51 O ATOM 1161 CB GLU A 402 -48.548 21.239 19.887 1.00 45.91 C ATOM 1162 H GLU A 402 -47.412 20.837 17.583 1.00 0.00 H ATOM 1163 N GLU A 403 -45.532 22.701 19.259 1.00 41.48 N ATOM 1164 CA GLU A 403 -44.294 23.099 19.920 1.00 31.76 C ATOM 1165 C GLU A 403 -43.332 23.609 18.850 1.00 48.23 C ATOM 1166 O GLU A 403 -43.075 22.907 17.869 1.00 42.60 O ATOM 1167 CB GLU A 403 -43.685 21.897 20.677 1.00 37.21 C ATOM 1168 CG GLU A 403 -42.335 22.147 21.396 1.00 40.98 C ATOM 1169 CD GLU A 403 -41.859 20.910 22.191 1.00 79.41 C ATOM 1170 OE1 GLU A 403 -40.746 20.926 22.787 1.00 34.86 O ATOM 1171 OE2 GLU A 403 -42.612 19.912 22.216 1.00 43.20 O ATOM 1172 H GLU A 403 -45.461 22.174 18.365 1.00 0.00 H ATOM 1173 N ASP A 404 -42.818 24.829 19.012 1.00 32.27 N ATOM 1174 CA ASP A 404 -41.956 25.453 18.002 1.00 30.48 C ATOM 1175 C ASP A 404 -40.566 25.566 18.621 1.00 30.48 C ATOM 1176 O ASP A 404 -40.323 26.422 19.473 1.00 44.12 O ATOM 1177 CB ASP A 404 -42.455 26.837 17.563 1.00 30.75 C ATOM 1178 CG ASP A 404 -43.860 26.823 16.972 1.00 36.13 C ATOM 1179 OD1 ASP A 404 -44.356 25.757 16.567 1.00 46.20 O ATOM 1180 OD2 ASP A 404 -44.482 27.904 16.931 1.00 87.04 O ATOM 1181 H ASP A 404 -43.035 25.355 19.882 1.00 0.00 H ATOM 1182 N VAL A 405 -39.663 24.674 18.214 1.00 24.02 N ATOM 1183 CA VAL A 405 -38.283 24.671 18.681 1.00 21.01 C ATOM 1184 C VAL A 405 -37.431 25.357 17.618 1.00 19.77 C ATOM 1185 O VAL A 405 -37.578 25.097 16.399 1.00 20.83 O ATOM 1186 CB VAL A 405 -37.803 23.236 18.989 1.00 20.73 C ATOM 1187 CG1 VAL A 405 -36.282 23.194 19.164 1.00 20.17 C ATOM 1188 CG2 VAL A 405 -38.452 22.765 20.303 1.00 22.96 C ATOM 1189 H VAL A 405 -39.957 23.947 17.531 1.00 0.00 H ATOM 1190 N ILE A 406 -36.589 26.285 18.062 1.00 19.67 N ATOM 1191 CA ILE A 406 -35.706 27.045 17.183 1.00 19.74 C ATOM 1192 C ILE A 406 -34.267 26.874 17.655 1.00 18.13 C ATOM 1193 O ILE A 406 -33.973 27.063 18.838 1.00 20.81 O ATOM 1194 CB ILE A 406 -36.093 28.536 17.168 1.00 21.37 C ATOM 1195 CG1 ILE A 406 -37.557 28.662 16.728 1.00 32.07 C ATOM 1196 CG2 ILE A 406 -35.210 29.254 16.220 1.00 23.58 C ATOM 1197 CD1 ILE A 406 -38.074 30.120 16.670 1.00 43.62 C ATOM 1198 H ILE A 406 -36.558 26.478 19.083 1.00 0.00 H ATOM 1199 N VAL A 407 -33.366 26.501 16.742 1.00 17.74 N ATOM 1200 CA VAL A 407 -31.955 26.331 17.094 1.00 15.09 C ATOM 1201 C VAL A 407 -31.111 27.145 16.118 1.00 12.74 C ATOM 1202 O VAL A 407 -31.640 27.855 15.262 1.00 15.34 O ATOM 1203 CB VAL A 407 -31.522 24.837 17.101 1.00 11.77 C ATOM 1204 CG1 VAL A 407 -32.353 24.030 18.056 1.00 14.03 C ATOM 1205 CG2 VAL A 407 -31.553 24.259 15.670 1.00 13.50 C ATOM 1206 H VAL A 407 -33.672 26.328 15.763 1.00 0.00 H ATOM 1207 N GLU A 408 -29.784 27.072 16.265 1.00 12.34 N ATOM 1208 CA GLU A 408 -28.848 27.863 15.480 1.00 14.38 C ATOM 1209 C GLU A 408 -27.740 26.973 14.955 1.00 15.94 C ATOM 1210 O GLU A 408 -27.324 26.035 15.630 1.00 16.82 O ATOM 1211 CB GLU A 408 -28.221 28.979 16.360 1.00 17.93 C ATOM 1212 CG GLU A 408 -29.229 30.067 16.709 1.00 18.06 C ATOM 1213 CD GLU A 408 -28.598 31.145 17.560 1.00 25.42 C ATOM 1214 OE1 GLU A 408 -28.591 32.333 17.180 1.00 33.56 O ATOM 1215 OE2 GLU A 408 -28.068 30.800 18.586 1.00 26.92 O ATOM 1216 H GLU A 408 -29.401 26.417 16.976 1.00 0.00 H ATOM 1217 N TYR A 409 -27.328 27.183 13.704 1.00 11.59 N ATOM 1218 CA TYR A 409 -26.278 26.358 13.127 1.00 11.37 C ATOM 1219 C TYR A 409 -25.193 27.239 12.529 1.00 13.28 C ATOM 1220 O TYR A 409 -25.477 28.046 11.634 1.00 14.53 O ATOM 1221 CB TYR A 409 -26.905 25.433 12.046 1.00 11.10 C ATOM 1222 CG TYR A 409 -26.096 24.220 11.608 1.00 10.91 C ATOM 1223 CD1 TYR A 409 -24.885 23.880 12.235 1.00 10.74 C ATOM 1224 CD2 TYR A 409 -26.558 23.394 10.558 1.00 12.35 C ATOM 1225 CE1 TYR A 409 -24.197 22.712 11.884 1.00 10.99 C ATOM 1226 CE2 TYR A 409 -25.873 22.269 10.178 1.00 12.30 C ATOM 1227 CZ TYR A 409 -24.660 21.922 10.825 1.00 13.73 C ATOM 1228 OH TYR A 409 -23.992 20.764 10.476 1.00 12.96 O ATOM 1229 HH TYR A 409 -23.748 20.801 9.517 1.00 0.00 H ATOM 1230 H TYR A 409 -27.760 27.941 13.138 1.00 0.00 H ATOM 1231 N GLY A 410 -23.928 27.017 12.920 1.00 12.76 N ATOM 1232 CA GLY A 410 -22.858 27.754 12.256 1.00 13.29 C ATOM 1233 C GLY A 410 -22.449 27.026 10.998 1.00 17.92 C ATOM 1234 O GLY A 410 -21.408 26.377 10.944 1.00 15.51 O ATOM 1235 H GLY A 410 -23.716 26.337 13.677 1.00 0.00 H ATOM 1236 N ALA A 411 -23.239 27.199 9.950 1.00 14.04 N ATOM 1237 CA ALA A 411 -23.109 26.333 8.773 1.00 14.83 C ATOM 1238 C ALA A 411 -22.404 27.089 7.661 1.00 16.23 C ATOM 1239 O ALA A 411 -22.536 28.313 7.538 1.00 20.85 O ATOM 1240 CB ALA A 411 -24.498 25.865 8.323 1.00 17.76 C ATOM 1241 H ALA A 411 -23.956 27.953 9.961 1.00 0.00 H ATOM 1242 N ASP A 412 -21.633 26.339 6.848 1.00 17.47 N ATOM 1243 CA ASP A 412 -21.051 26.890 5.598 1.00 20.96 C ATOM 1244 C ASP A 412 -20.105 28.038 5.914 1.00 20.21 C ATOM 1245 O ASP A 412 -20.148 29.126 5.306 1.00 23.79 O ATOM 1246 CB ASP A 412 -22.131 27.356 4.622 1.00 29.56 C ATOM 1247 CG ASP A 412 -22.850 26.222 3.967 1.00 42.03 C ATOM 1248 OD1 ASP A 412 -22.337 25.091 4.027 1.00 44.13 O ATOM 1249 OD2 ASP A 412 -23.928 26.463 3.379 1.00 67.21 O ATOM 1250 H ASP A 412 -21.441 25.349 7.103 1.00 0.00 H ATOM 1251 N ILE A 413 -19.267 27.834 6.915 1.00 21.54 N ATOM 1252 CA ILE A 413 -18.225 28.793 7.222 1.00 19.53 C ATOM 1253 C ILE A 413 -16.997 28.413 6.394 1.00 20.10 C ATOM 1254 O ILE A 413 -16.539 27.275 6.440 1.00 19.93 O ATOM 1255 CB ILE A 413 -17.920 28.785 8.740 1.00 20.46 C ATOM 1256 CG1 ILE A 413 -19.162 29.167 9.576 1.00 24.05 C ATOM 1257 CG2 ILE A 413 -16.715 29.661 9.067 1.00 20.97 C ATOM 1258 CD1 ILE A 413 -18.961 28.943 11.083 1.00 20.00 C ATOM 1259 H ILE A 413 -19.357 26.973 7.491 1.00 0.00 H ATOM 1260 N SER A 414 -16.449 29.356 5.605 1.00 21.89 N ATOM 1261 CA SER A 414 -15.339 28.938 4.747 1.00 28.59 C ATOM 1262 C SER A 414 -14.080 28.657 5.558 1.00 24.34 C ATOM 1263 O SER A 414 -13.773 29.383 6.508 1.00 26.12 O ATOM 1264 CB SER A 414 -14.992 29.982 3.694 1.00 39.01 C ATOM 1265 OG SER A 414 -13.906 29.451 2.940 1.00 31.88 O ATOM 1266 HG SER A 414 -13.644 30.099 2.239 1.00 0.00 H ATOM 1267 H SER A 414 -16.798 30.336 5.605 1.00 0.00 H ATOM 1268 N SER A 415 -13.343 27.599 5.178 1.00 23.92 N ATOM 1269 CA SER A 415 -12.032 27.357 5.788 1.00 20.53 C ATOM 1270 C SER A 415 -11.045 28.495 5.504 1.00 49.08 C ATOM 1271 O SER A 415 -10.015 28.581 6.175 1.00 30.93 O ATOM 1272 CB SER A 415 -11.438 26.013 5.337 1.00 24.47 C ATOM 1273 OG SER A 415 -11.259 25.955 3.911 1.00 26.66 O ATOM 1274 HG SER A 415 -10.644 26.677 3.627 1.00 0.00 H ATOM 1275 H SER A 415 -13.704 26.950 4.449 1.00 0.00 H ATOM 1276 N LYS A 416 -11.331 29.378 4.548 1.00 25.52 N ATOM 1277 CA LYS A 416 -10.436 30.517 4.318 1.00 26.31 C ATOM 1278 C LYS A 416 -10.504 31.551 5.443 1.00 41.27 C ATOM 1279 O LYS A 416 -9.525 32.267 5.680 1.00 45.29 O ATOM 1280 CB LYS A 416 -10.762 31.174 2.975 1.00 38.46 C ATOM 1281 H LYS A 416 -12.186 29.260 3.967 1.00 0.00 H ATOM 1282 N ASP A 417 -11.628 31.624 6.162 1.00 38.01 N ATOM 1283 CA ASP A 417 -11.857 32.688 7.143 1.00 44.99 C ATOM 1284 C ASP A 417 -10.917 32.581 8.340 1.00 36.81 C ATOM 1285 O ASP A 417 -10.215 33.540 8.700 1.00 34.81 O ATOM 1286 CB ASP A 417 -13.308 32.631 7.619 1.00 34.35 C ATOM 1287 CG ASP A 417 -14.284 33.069 6.556 1.00 59.83 C ATOM 1288 OD1 ASP A 417 -13.862 33.203 5.387 1.00 68.46 O ATOM 1289 OD2 ASP A 417 -15.471 33.277 6.896 1.00 64.51 O ATOM 1290 H ASP A 417 -12.364 30.903 6.021 1.00 0.00 H ATOM 1291 N PHE A 418 -10.928 31.434 9.004 1.00 34.04 N ATOM 1292 CA PHE A 418 -10.085 31.236 10.173 1.00 32.91 C ATOM 1293 C PHE A 418 -9.215 30.005 10.013 1.00 36.26 C ATOM 1294 O PHE A 418 -8.658 29.514 11.004 1.00 33.63 O ATOM 1295 CB PHE A 418 -10.933 31.109 11.443 1.00 25.79 C ATOM 1296 CG PHE A 418 -11.983 32.164 11.573 1.00 31.98 C ATOM 1297 CD1 PHE A 418 -11.631 33.460 11.952 1.00 41.19 C ATOM 1298 CD2 PHE A 418 -13.322 31.857 11.330 1.00 37.02 C ATOM 1299 CE1 PHE A 418 -12.591 34.440 12.078 1.00 48.22 C ATOM 1300 CE2 PHE A 418 -14.285 32.824 11.446 1.00 28.26 C ATOM 1301 CZ PHE A 418 -13.925 34.121 11.844 1.00 32.03 C ATOM 1302 H PHE A 418 -11.549 30.663 8.684 1.00 0.00 H ATOM 1303 N GLY A 419 -9.109 29.476 8.806 1.00 26.87 N ATOM 1304 CA GLY A 419 -8.294 28.301 8.620 1.00 26.16 C ATOM 1305 C GLY A 419 -9.126 27.033 8.649 1.00 27.19 C ATOM 1306 O GLY A 419 -10.266 27.009 9.103 1.00 25.25 O ATOM 1307 H GLY A 419 -9.608 29.903 7.999 1.00 0.00 H ATOM 1308 N SER A 420 -8.550 25.982 8.092 1.00 25.01 N ATOM 1309 CA SER A 420 -9.107 24.652 8.212 1.00 20.68 C ATOM 1310 C SER A 420 -8.878 24.116 9.617 1.00 21.26 C ATOM 1311 O SER A 420 -7.955 24.537 10.318 1.00 25.66 O ATOM 1312 CB SER A 420 -8.440 23.777 7.154 1.00 23.60 C ATOM 1313 OG SER A 420 -8.653 22.404 7.324 1.00 22.96 O ATOM 1314 HG SER A 420 -9.624 22.215 7.287 1.00 0.00 H ATOM 1315 H SER A 420 -7.671 26.115 7.552 1.00 0.00 H ATOM 1316 N GLY A 421 -9.708 23.144 10.027 1.00 20.39 N ATOM 1317 CA GLY A 421 -9.400 22.441 11.269 1.00 18.06 C ATOM 1318 C GLY A 421 -8.207 21.515 11.179 1.00 20.74 C ATOM 1319 O GLY A 421 -7.688 21.082 12.210 1.00 22.22 O ATOM 1320 H GLY A 421 -10.552 22.897 9.472 1.00 0.00 H ATOM 1321 N PHE A 422 -7.813 21.136 9.959 1.00 21.35 N ATOM 1322 CA PHE A 422 -6.573 20.408 9.727 1.00 20.57 C ATOM 1323 C PHE A 422 -5.389 21.367 9.606 1.00 23.44 C ATOM 1324 O PHE A 422 -5.519 22.477 9.069 1.00 25.80 O ATOM 1325 CB PHE A 422 -6.658 19.603 8.429 1.00 18.67 C ATOM 1326 CG PHE A 422 -7.626 18.441 8.473 1.00 18.33 C ATOM 1327 CD1 PHE A 422 -7.242 17.195 8.960 1.00 21.04 C ATOM 1328 CD2 PHE A 422 -8.901 18.581 7.954 1.00 18.10 C ATOM 1329 CE1 PHE A 422 -8.148 16.130 8.984 1.00 22.67 C ATOM 1330 CE2 PHE A 422 -9.805 17.539 7.965 1.00 19.23 C ATOM 1331 CZ PHE A 422 -9.436 16.308 8.494 1.00 20.13 C ATOM 1332 H PHE A 422 -8.415 21.370 9.144 1.00 0.00 H ATOM 1333 N PRO A 423 -4.218 20.954 10.074 1.00 19.96 N ATOM 1334 CA PRO A 423 -3.002 21.736 9.792 1.00 24.15 C ATOM 1335 C PRO A 423 -2.694 21.776 8.299 1.00 22.60 C ATOM 1336 O PRO A 423 -2.841 20.783 7.583 1.00 25.78 O ATOM 1337 CB PRO A 423 -1.912 20.986 10.564 1.00 30.92 C ATOM 1338 CG PRO A 423 -2.409 19.604 10.709 1.00 41.24 C ATOM 1339 CD PRO A 423 -3.916 19.657 10.707 1.00 28.26 C ATOM 1340 N VAL A 424 -2.207 22.939 7.848 1.00 23.49 N ATOM 1341 CA VAL A 424 -1.934 23.192 6.440 1.00 23.74 C ATOM 1342 C VAL A 424 -0.597 23.923 6.367 1.00 24.26 C ATOM 1343 O VAL A 424 -0.340 24.852 7.146 1.00 30.67 O ATOM 1344 CB VAL A 424 -3.045 24.031 5.776 1.00 29.10 C ATOM 1345 CG1 VAL A 424 -2.611 24.510 4.418 1.00 31.86 C ATOM 1346 CG2 VAL A 424 -4.301 23.225 5.643 1.00 25.76 C ATOM 1347 H VAL A 424 -2.015 23.696 8.535 1.00 0.00 H ATOM 1348 N LYS A 425 0.232 23.504 5.411 1.00 31.34 N ATOM 1349 CA LYS A 425 1.535 24.125 5.174 1.00 61.50 C ATOM 1350 C LYS A 425 1.402 25.334 4.252 1.00 63.28 C ATOM 1351 O LYS A 425 1.959 25.377 3.158 1.00 99.15 O ATOM 1352 CB LYS A 425 2.497 23.111 4.577 1.00 45.87 C ATOM 1353 CG LYS A 425 3.040 22.117 5.550 1.00 47.75 C ATOM 1354 CD LYS A 425 3.810 21.058 4.792 1.00 79.18 C ATOM 1355 CE LYS A 425 4.816 20.377 5.679 1.00 91.98 C ATOM 1356 NZ LYS A 425 6.102 21.125 5.802 1.00 96.05 N ATOM 1357 HZ1 LYS A 425 6.533 21.227 4.861 1.00 0.00 H ATOM 1358 HZ2 LYS A 425 5.917 22.066 6.204 1.00 0.00 H ATOM 1359 HZ3 LYS A 425 6.748 20.601 6.426 1.00 0.00 H ATOM 1360 H LYS A 425 -0.058 22.706 4.811 1.00 0.00 H ATOM 1361 N ASP A 426 0.648 26.331 4.704 1.00 43.17 N ATOM 1362 CA ASP A 426 0.584 27.606 3.998 1.00 75.38 C ATOM 1363 C ASP A 426 1.283 28.743 4.745 1.00 77.08 C ATOM 1364 O ASP A 426 1.202 29.896 4.304 1.00 62.56 O ATOM 1365 CB ASP A 426 -0.870 27.986 3.686 1.00 73.83 C ATOM 1366 CG ASP A 426 -1.758 28.070 4.926 1.00 79.09 C ATOM 1367 OD1 ASP A 426 -1.245 28.238 6.057 1.00 63.63 O ATOM 1368 OD2 ASP A 426 -2.994 27.984 4.753 1.00 73.86 O ATOM 1369 H ASP A 426 0.095 26.200 5.575 1.00 0.00 H ATOM 1370 N GLY A 427 1.966 28.445 5.857 1.00111.63 N ATOM 1371 CA GLY A 427 2.744 29.419 6.629 1.00114.32 C ATOM 1372 C GLY A 427 1.870 30.486 7.282 1.00107.95 C ATOM 1373 O GLY A 427 2.328 31.606 7.520 1.00116.46 O ATOM 1374 H GLY A 427 1.943 27.461 6.194 1.00 0.00 H ATOM 1375 N ARG A 428 0.613 30.159 7.576 1.00 61.74 N ATOM 1376 CA ARG A 428 -0.247 31.050 8.344 1.00 73.68 C ATOM 1377 C ARG A 428 -0.242 30.730 9.830 1.00 79.69 C ATOM 1378 O ARG A 428 -0.351 31.643 10.653 1.00 60.44 O ATOM 1379 CB ARG A 428 -1.686 30.994 7.821 1.00 65.68 C ATOM 1380 H ARG A 428 0.236 29.246 7.250 1.00 0.00 H ATOM 1381 N ARG A 429 -0.108 29.456 10.184 1.00 46.74 N ATOM 1382 CA ARG A 429 0.025 29.011 11.560 1.00 40.82 C ATOM 1383 C ARG A 429 1.238 28.098 11.662 1.00 85.08 C ATOM 1384 O ARG A 429 1.662 27.481 10.680 1.00 67.40 O ATOM 1385 CB ARG A 429 -1.227 28.272 12.047 1.00 47.91 C ATOM 1386 CG ARG A 429 -2.332 29.183 12.543 1.00 74.47 C ATOM 1387 CD ARG A 429 -3.550 28.378 12.927 1.00 57.15 C ATOM 1388 NE ARG A 429 -3.178 27.226 13.740 1.00 61.71 N ATOM 1389 CZ ARG A 429 -3.396 27.127 15.046 1.00 44.47 C ATOM 1390 NH1 ARG A 429 -3.992 28.117 15.704 1.00 62.14 N ATOM 1391 NH2 ARG A 429 -3.010 26.033 15.698 1.00 60.34 N ATOM 1392 HE ARG A 429 -2.710 26.428 13.265 1.00 0.00 H ATOM 1393 HH12 ARG A 429 -4.160 28.034 16.727 1.00 0.00 H ATOM 1394 HH11 ARG A 429 -4.290 28.974 15.196 1.00 0.00 H ATOM 1395 HH22 ARG A 429 -3.178 25.951 16.721 1.00 0.00 H ATOM 1396 HH21 ARG A 429 -2.540 25.260 15.185 1.00 0.00 H ATOM 1397 H ARG A 429 -0.098 28.737 9.433 1.00 0.00 H ATOM 1398 N LYS A 430 1.798 28.024 12.865 1.00 66.61 N ATOM 1399 CA LYS A 430 2.896 27.105 13.116 1.00 71.38 C ATOM 1400 C LYS A 430 2.410 25.664 13.037 1.00 42.12 C ATOM 1401 O LYS A 430 1.297 25.333 13.472 1.00 38.43 O ATOM 1402 CB LYS A 430 3.524 27.373 14.484 1.00 68.03 C ATOM 1403 H LYS A 430 1.447 28.630 13.634 1.00 0.00 H ATOM 1404 N ILE A 431 3.254 24.815 12.455 1.00 44.04 N ATOM 1405 CA ILE A 431 3.078 23.368 12.437 1.00 45.40 C ATOM 1406 C ILE A 431 4.179 22.776 13.303 1.00 39.73 C ATOM 1407 O ILE A 431 5.366 22.942 12.996 1.00 42.53 O ATOM 1408 CB ILE A 431 3.173 22.807 11.005 1.00 63.64 C ATOM 1409 CG1 ILE A 431 2.272 23.579 10.035 1.00 56.83 C ATOM 1410 CG2 ILE A 431 2.899 21.314 10.986 1.00 45.38 C ATOM 1411 CD1 ILE A 431 0.847 23.621 10.452 1.00 54.47 C ATOM 1412 H ILE A 431 4.093 25.209 11.983 1.00 0.00 H ATOM 1413 N LEU A 432 3.807 22.077 14.364 1.00 44.21 N ATOM 1414 CA LEU A 432 4.805 21.340 15.111 1.00 42.67 C ATOM 1415 C LEU A 432 5.282 20.155 14.278 1.00 50.91 C ATOM 1416 O LEU A 432 4.580 19.711 13.376 1.00 36.31 O ATOM 1417 CB LEU A 432 4.236 20.861 16.443 1.00 55.82 C ATOM 1418 CG LEU A 432 3.749 21.974 17.367 1.00 56.84 C ATOM 1419 CD1 LEU A 432 3.165 21.353 18.622 1.00 38.00 C ATOM 1420 CD2 LEU A 432 4.885 22.942 17.692 1.00 57.09 C ATOM 1421 H LEU A 432 2.810 22.057 14.658 1.00 0.00 H ATOM 1422 N PRO A 433 6.489 19.650 14.536 1.00 36.49 N ATOM 1423 CA PRO A 433 6.962 18.462 13.801 1.00 34.18 C ATOM 1424 C PRO A 433 6.022 17.260 13.893 1.00 33.27 C ATOM 1425 O PRO A 433 5.805 16.569 12.883 1.00 36.18 O ATOM 1426 CB PRO A 433 8.327 18.179 14.453 1.00 36.43 C ATOM 1427 CG PRO A 433 8.791 19.525 14.915 1.00 38.43 C ATOM 1428 CD PRO A 433 7.531 20.180 15.439 1.00 41.22 C ATOM 1429 N GLU A 434 5.444 16.996 15.074 1.00 33.66 N ATOM 1430 CA GLU A 434 4.508 15.890 15.249 1.00 59.19 C ATOM 1431 C GLU A 434 3.229 16.074 14.442 1.00 40.82 C ATOM 1432 O GLU A 434 2.467 15.113 14.279 1.00 41.95 O ATOM 1433 CB GLU A 434 4.157 15.728 16.736 1.00 48.20 C ATOM 1434 H GLU A 434 5.670 17.599 15.891 1.00 0.00 H ATOM 1435 N GLU A 435 2.977 17.279 13.945 1.00 33.65 N ATOM 1436 CA GLU A 435 1.772 17.557 13.189 1.00 31.86 C ATOM 1437 C GLU A 435 1.996 17.564 11.687 1.00 24.45 C ATOM 1438 O GLU A 435 1.017 17.621 10.926 1.00 26.96 O ATOM 1439 CB GLU A 435 1.214 18.901 13.613 1.00 37.72 C ATOM 1440 CG GLU A 435 0.907 18.932 15.106 1.00 30.52 C ATOM 1441 CD GLU A 435 0.517 20.303 15.574 1.00 80.87 C ATOM 1442 OE1 GLU A 435 0.746 21.264 14.803 1.00 44.16 O ATOM 1443 OE2 GLU A 435 -0.014 20.411 16.706 1.00 51.64 O ATOM 1444 H GLU A 435 3.663 18.045 14.102 1.00 0.00 H ATOM 1445 N GLU A 436 3.245 17.529 11.252 1.00 23.29 N ATOM 1446 CA GLU A 436 3.513 17.646 9.816 1.00 22.54 C ATOM 1447 C GLU A 436 2.897 16.481 9.059 1.00 25.53 C ATOM 1448 O GLU A 436 2.398 16.656 7.946 1.00 24.75 O ATOM 1449 CB GLU A 436 5.035 17.738 9.558 1.00 23.82 C ATOM 1450 CG GLU A 436 5.372 18.017 8.091 1.00 25.98 C ATOM 1451 CD GLU A 436 6.858 18.212 7.828 1.00 28.35 C ATOM 1452 OE1 GLU A 436 7.656 17.647 8.607 1.00 28.00 O ATOM 1453 OE2 GLU A 436 7.229 18.917 6.844 1.00 28.34 O ATOM 1454 H GLU A 436 4.031 17.419 11.924 1.00 0.00 H ATOM 1455 N GLU A 437 2.909 15.288 9.659 1.00 24.53 N ATOM 1456 CA GLU A 437 2.296 14.123 9.030 1.00 27.15 C ATOM 1457 C GLU A 437 0.844 14.409 8.672 1.00 22.92 C ATOM 1458 O GLU A 437 0.356 13.984 7.610 1.00 25.76 O ATOM 1459 CB GLU A 437 2.395 12.926 9.983 1.00 35.62 C ATOM 1460 CG GLU A 437 1.440 11.781 9.701 1.00 79.24 C ATOM 1461 CD GLU A 437 1.299 10.807 10.871 1.00 73.39 C ATOM 1462 OE1 GLU A 437 1.688 11.169 12.006 1.00 63.98 O ATOM 1463 OE2 GLU A 437 0.795 9.681 10.648 1.00 67.11 O ATOM 1464 H GLU A 437 3.363 15.188 10.590 1.00 0.00 H ATOM 1465 N TYR A 438 0.151 15.182 9.513 1.00 20.45 N ATOM 1466 CA TYR A 438 -1.263 15.454 9.248 1.00 21.95 C ATOM 1467 C TYR A 438 -1.428 16.522 8.179 1.00 22.11 C ATOM 1468 O TYR A 438 -2.390 16.476 7.398 1.00 21.17 O ATOM 1469 CB TYR A 438 -1.950 15.853 10.557 1.00 21.75 C ATOM 1470 CG TYR A 438 -1.869 14.731 11.552 1.00 25.30 C ATOM 1471 CD1 TYR A 438 -2.640 13.588 11.383 1.00 22.54 C ATOM 1472 CD2 TYR A 438 -1.006 14.797 12.649 1.00 25.01 C ATOM 1473 CE1 TYR A 438 -2.570 12.523 12.279 1.00 26.18 C ATOM 1474 CE2 TYR A 438 -0.930 13.729 13.558 1.00 30.90 C ATOM 1475 CZ TYR A 438 -1.723 12.610 13.362 1.00 30.84 C ATOM 1476 OH TYR A 438 -1.674 11.549 14.229 1.00 29.24 O ATOM 1477 HH TYR A 438 -1.926 11.854 15.137 1.00 0.00 H ATOM 1478 H TYR A 438 0.613 15.588 10.351 1.00 0.00 H ATOM 1479 N ALA A 439 -0.486 17.475 8.123 1.00 20.84 N ATOM 1480 CA ALA A 439 -0.527 18.477 7.072 1.00 20.01 C ATOM 1481 C ALA A 439 -0.305 17.862 5.692 1.00 25.22 C ATOM 1482 O ALA A 439 -0.767 18.411 4.677 1.00 24.02 O ATOM 1483 CB ALA A 439 0.522 19.542 7.380 1.00 21.68 C ATOM 1484 H ALA A 439 0.274 17.497 8.832 1.00 0.00 H ATOM 1485 N LEU A 440 0.408 16.733 5.632 1.00 19.76 N ATOM 1486 CA LEU A 440 0.766 16.093 4.377 1.00 19.88 C ATOM 1487 C LEU A 440 -0.123 14.897 4.047 1.00 22.59 C ATOM 1488 O LEU A 440 -0.040 14.375 2.935 1.00 25.18 O ATOM 1489 CB LEU A 440 2.244 15.657 4.434 1.00 20.88 C ATOM 1490 CG LEU A 440 3.224 16.817 4.565 1.00 21.99 C ATOM 1491 CD1 LEU A 440 4.666 16.269 4.719 1.00 23.08 C ATOM 1492 CD2 LEU A 440 3.108 17.730 3.356 1.00 22.71 C ATOM 1493 H LEU A 440 0.720 16.294 6.521 1.00 0.00 H ATOM 1494 N SER A 441 -0.977 14.472 4.974 1.00 23.87 N ATOM 1495 CA SER A 441 -1.804 13.276 4.795 1.00 20.49 C ATOM 1496 C SER A 441 -2.802 13.420 3.660 1.00 21.31 C ATOM 1497 O SER A 441 -3.454 14.464 3.508 1.00 19.61 O ATOM 1498 CB SER A 441 -2.570 12.991 6.102 1.00 22.08 C ATOM 1499 OG SER A 441 -3.530 11.940 5.937 1.00 22.25 O ATOM 1500 HG SER A 441 -3.065 11.111 5.661 1.00 0.00 H ATOM 1501 H SER A 441 -1.061 15.010 5.860 1.00 0.00 H ATOM 1502 N GLY A 442 -2.997 12.323 2.895 1.00 20.70 N ATOM 1503 CA GLY A 442 -4.060 12.367 1.909 1.00 21.00 C ATOM 1504 C GLY A 442 -5.469 12.393 2.488 1.00 18.70 C ATOM 1505 O GLY A 442 -6.410 12.699 1.743 1.00 21.58 O ATOM 1506 H GLY A 442 -2.405 11.476 3.009 1.00 0.00 H ATOM 1507 N TRP A 443 -5.642 12.136 3.803 1.00 17.92 N ATOM 1508 CA TRP A 443 -6.953 12.227 4.455 1.00 17.74 C ATOM 1509 C TRP A 443 -7.211 13.606 5.052 1.00 20.70 C ATOM 1510 O TRP A 443 -8.317 13.887 5.512 1.00 19.72 O ATOM 1511 CB TRP A 443 -7.063 11.173 5.574 1.00 17.60 C ATOM 1512 CG TRP A 443 -7.102 9.768 5.046 1.00 18.61 C ATOM 1513 CD1 TRP A 443 -6.030 8.948 4.818 1.00 20.26 C ATOM 1514 CD2 TRP A 443 -8.273 9.025 4.684 1.00 18.41 C ATOM 1515 NE1 TRP A 443 -6.479 7.731 4.322 1.00 21.00 N ATOM 1516 CE2 TRP A 443 -7.841 7.758 4.246 1.00 19.05 C ATOM 1517 CE3 TRP A 443 -9.644 9.296 4.720 1.00 19.74 C ATOM 1518 CZ2 TRP A 443 -8.736 6.767 3.837 1.00 19.37 C ATOM 1519 CZ3 TRP A 443 -10.545 8.297 4.284 1.00 23.38 C ATOM 1520 CH2 TRP A 443 -10.063 7.050 3.858 1.00 22.73 C ATOM 1521 HE1 TRP A 443 -5.875 6.929 4.052 1.00 0.00 H ATOM 1522 H TRP A 443 -4.816 11.864 4.374 1.00 0.00 H ATOM 1523 N ASN A 444 -6.226 14.478 5.015 1.00 17.60 N ATOM 1524 CA ASN A 444 -6.458 15.896 5.283 1.00 15.68 C ATOM 1525 C ASN A 444 -7.332 16.469 4.168 1.00 17.95 C ATOM 1526 O ASN A 444 -7.006 16.332 2.986 1.00 21.60 O ATOM 1527 CB ASN A 444 -5.081 16.549 5.348 1.00 17.01 C ATOM 1528 CG ASN A 444 -5.102 18.034 5.606 1.00 20.67 C ATOM 1529 OD1 ASN A 444 -6.012 18.763 5.214 1.00 20.61 O ATOM 1530 ND2 ASN A 444 -4.041 18.500 6.255 1.00 22.00 N ATOM 1531 HD22 ASN A 444 -3.295 17.847 6.568 1.00 0.00 H ATOM 1532 HD21 ASN A 444 -3.956 19.518 6.450 1.00 0.00 H ATOM 1533 H ASN A 444 -5.264 14.152 4.791 1.00 0.00 H ATOM 1534 N LEU A 445 -8.494 17.025 4.510 1.00 15.64 N ATOM 1535 CA LEU A 445 -9.459 17.389 3.469 1.00 15.46 C ATOM 1536 C LEU A 445 -8.933 18.468 2.547 1.00 17.34 C ATOM 1537 O LEU A 445 -9.447 18.614 1.425 1.00 22.03 O ATOM 1538 CB LEU A 445 -10.776 17.867 4.080 1.00 18.14 C ATOM 1539 CG LEU A 445 -11.849 16.798 4.271 1.00 18.71 C ATOM 1540 CD1 LEU A 445 -11.361 15.641 5.021 1.00 21.41 C ATOM 1541 CD2 LEU A 445 -13.202 17.296 4.861 1.00 15.42 C ATOM 1542 H LEU A 445 -8.715 17.200 5.511 1.00 0.00 H ATOM 1543 N ASN A 446 -7.879 19.176 2.947 1.00 16.38 N ATOM 1544 CA ASN A 446 -7.250 20.161 2.065 1.00 18.92 C ATOM 1545 C ASN A 446 -6.420 19.523 0.960 1.00 19.92 C ATOM 1546 O ASN A 446 -6.049 20.214 -0.003 1.00 21.75 O ATOM 1547 CB ASN A 446 -6.370 21.097 2.880 1.00 21.77 C ATOM 1548 CG ASN A 446 -7.169 21.892 3.853 1.00 22.92 C ATOM 1549 OD1 ASN A 446 -7.835 22.863 3.458 1.00 24.05 O ATOM 1550 ND2 ASN A 446 -7.167 21.472 5.105 1.00 20.63 N ATOM 1551 HD22 ASN A 446 -6.588 20.652 5.377 1.00 0.00 H ATOM 1552 HD21 ASN A 446 -7.744 21.961 5.819 1.00 0.00 H ATOM 1553 H ASN A 446 -7.496 19.027 3.902 1.00 0.00 H ATOM 1554 N ASN A 447 -6.128 18.217 1.075 1.00 18.41 N ATOM 1555 CA ASN A 447 -5.281 17.491 0.133 1.00 19.06 C ATOM 1556 C ASN A 447 -6.069 16.521 -0.724 1.00 18.19 C ATOM 1557 O ASN A 447 -5.463 15.690 -1.423 1.00 20.38 O ATOM 1558 CB ASN A 447 -4.167 16.734 0.872 1.00 19.62 C ATOM 1559 CG ASN A 447 -3.230 17.665 1.666 1.00 27.53 C ATOM 1560 OD1 ASN A 447 -2.975 18.806 1.269 1.00 26.91 O ATOM 1561 ND2 ASN A 447 -2.729 17.182 2.809 1.00 20.36 N ATOM 1562 HD22 ASN A 447 -2.965 16.216 3.113 1.00 0.00 H ATOM 1563 HD21 ASN A 447 -2.104 17.773 3.393 1.00 0.00 H ATOM 1564 H ASN A 447 -6.528 17.694 1.880 1.00 0.00 H ATOM 1565 N MET A 448 -7.411 16.580 -0.673 1.00 20.17 N ATOM 1566 CA MET A 448 -8.249 15.776 -1.562 1.00 19.53 C ATOM 1567 C MET A 448 -8.289 16.386 -2.958 1.00 19.07 C ATOM 1568 O MET A 448 -8.225 17.609 -3.119 1.00 22.72 O ATOM 1569 CB MET A 448 -9.679 15.688 -1.018 1.00 23.52 C ATOM 1570 CG MET A 448 -9.871 14.909 0.334 1.00 25.30 C ATOM 1571 SD MET A 448 -9.560 13.148 0.253 1.00 36.22 S ATOM 1572 CE MET A 448 -10.906 12.526 -0.735 1.00 33.12 C ATOM 1573 H MET A 448 -7.865 17.213 0.016 1.00 0.00 H ATOM 1574 N PRO A 449 -8.329 15.557 -3.996 1.00 16.46 N ATOM 1575 CA PRO A 449 -8.395 16.089 -5.371 1.00 18.02 C ATOM 1576 C PRO A 449 -9.761 16.717 -5.606 1.00 20.20 C ATOM 1577 O PRO A 449 -10.792 16.171 -5.194 1.00 20.19 O ATOM 1578 CB PRO A 449 -8.163 14.861 -6.268 1.00 23.72 C ATOM 1579 CG PRO A 449 -8.404 13.659 -5.378 1.00 18.95 C ATOM 1580 CD PRO A 449 -8.245 14.086 -3.910 1.00 18.50 C ATOM 1581 N VAL A 450 -9.765 17.923 -6.175 1.00 19.07 N ATOM 1582 CA VAL A 450 -11.020 18.639 -6.368 1.00 22.01 C ATOM 1583 C VAL A 450 -11.240 19.067 -7.803 1.00 26.80 C ATOM 1584 O VAL A 450 -12.294 19.633 -8.107 1.00 27.54 O ATOM 1585 CB VAL A 450 -11.138 19.867 -5.438 1.00 18.92 C ATOM 1586 CG1 VAL A 450 -11.255 19.433 -4.024 1.00 22.13 C ATOM 1587 CG2 VAL A 450 -9.925 20.814 -5.647 1.00 22.72 C ATOM 1588 H VAL A 450 -8.870 18.354 -6.482 1.00 0.00 H ATOM 1589 N LEU A 451 -10.285 18.862 -8.693 1.00 23.08 N ATOM 1590 CA LEU A 451 -10.436 19.345 -10.068 1.00 23.34 C ATOM 1591 C LEU A 451 -11.036 18.251 -10.953 1.00 32.51 C ATOM 1592 O LEU A 451 -10.502 17.145 -11.046 1.00 34.89 O ATOM 1593 CB LEU A 451 -9.096 19.834 -10.605 1.00 23.56 C ATOM 1594 CG LEU A 451 -8.456 20.993 -9.861 1.00 33.40 C ATOM 1595 CD1 LEU A 451 -7.057 21.279 -10.389 1.00 45.59 C ATOM 1596 CD2 LEU A 451 -9.299 22.243 -9.913 1.00 42.47 C ATOM 1597 H LEU A 451 -9.421 18.355 -8.416 1.00 0.00 H ATOM 1598 N GLU A 452 -12.176 18.540 -11.566 1.00 35.13 N ATOM 1599 CA GLU A 452 -12.786 17.587 -12.483 1.00 57.34 C ATOM 1600 C GLU A 452 -12.213 17.810 -13.878 1.00 59.11 C ATOM 1601 O GLU A 452 -11.916 18.945 -14.262 1.00 42.29 O ATOM 1602 CB GLU A 452 -14.310 17.740 -12.498 1.00 56.30 C ATOM 1603 H GLU A 452 -12.638 19.455 -11.390 1.00 0.00 H ATOM 1604 N GLN A 453 -12.031 16.723 -14.621 1.00 42.79 N ATOM 1605 CA GLN A 453 -11.585 16.839 -16.008 1.00 59.08 C ATOM 1606 C GLN A 453 -12.668 17.485 -16.872 1.00 46.05 C ATOM 1607 O GLN A 453 -13.859 17.191 -16.731 1.00 78.24 O ATOM 1608 CB GLN A 453 -11.217 15.463 -16.566 1.00 53.52 C ATOM 1609 H GLN A 453 -12.207 15.783 -14.212 1.00 0.00 H ATOM 1610 N SER A 454 -12.251 18.381 -17.764 1.00 68.15 N ATOM 1611 CA SER A 454 -13.178 19.004 -18.712 1.00 87.05 C ATOM 1612 C SER A 454 -12.446 19.557 -19.941 1.00 39.49 C ATOM 1613 O SER A 454 -11.234 19.766 -19.926 1.00 82.54 O ATOM 1614 CB SER A 454 -13.993 20.117 -18.031 1.00 55.18 C ATOM 1615 OG SER A 454 -13.202 21.260 -17.750 1.00 97.67 O ATOM 1616 HG SER A 454 -13.763 21.949 -17.314 1.00 0.00 H ATOM 1617 H SER A 454 -11.245 18.644 -17.788 1.00 0.00 H TER 1618 SER A 454 ATOM 1619 N LYS A 467 -12.362 25.813 -4.604 1.00 61.10 N ATOM 1620 CA LYS A 467 -12.799 24.539 -4.028 1.00 38.26 C ATOM 1621 C LYS A 467 -11.947 24.215 -2.795 1.00 61.68 C ATOM 1622 O LYS A 467 -10.874 23.626 -2.897 1.00 31.57 O ATOM 1623 CB LYS A 467 -12.702 23.412 -5.058 1.00 20.00 C ATOM 1624 HN3 LYS A 467 -11.362 25.742 -4.882 1.00 0.00 H ATOM 1625 HN2 LYS A 467 -12.473 26.568 -3.897 1.00 0.00 H ATOM 1626 HN1 LYS A 467 -12.941 26.031 -5.440 1.00 0.00 H ATOM 1627 N VAL A 468 -12.432 24.646 -1.635 1.00 29.84 N ATOM 1628 CA VAL A 468 -11.765 24.449 -0.348 1.00 26.39 C ATOM 1629 C VAL A 468 -12.790 23.859 0.615 1.00 17.24 C ATOM 1630 O VAL A 468 -14.010 23.892 0.358 1.00 21.02 O ATOM 1631 CB VAL A 468 -11.181 25.772 0.194 1.00 25.76 C ATOM 1632 CG1 VAL A 468 -10.204 26.367 -0.820 1.00 39.69 C ATOM 1633 CG2 VAL A 468 -12.301 26.757 0.539 1.00 30.25 C ATOM 1634 H VAL A 468 -13.340 25.154 -1.643 1.00 0.00 H ATOM 1635 N PRO A 469 -12.345 23.311 1.733 1.00 19.32 N ATOM 1636 CA PRO A 469 -13.321 22.752 2.678 1.00 19.35 C ATOM 1637 C PRO A 469 -14.157 23.829 3.358 1.00 18.11 C ATOM 1638 O PRO A 469 -13.752 24.999 3.472 1.00 20.06 O ATOM 1639 CB PRO A 469 -12.461 22.001 3.677 1.00 19.83 C ATOM 1640 CG PRO A 469 -11.199 21.687 2.908 1.00 17.45 C ATOM 1641 CD PRO A 469 -10.964 22.893 2.031 1.00 21.10 C ATOM 1642 N TRP A 470 -15.360 23.426 3.765 1.00 15.06 N ATOM 1643 CA TRP A 470 -16.300 24.238 4.527 1.00 16.57 C ATOM 1644 C TRP A 470 -16.472 23.660 5.928 1.00 16.46 C ATOM 1645 O TRP A 470 -16.327 22.461 6.146 1.00 13.84 O ATOM 1646 CB TRP A 470 -17.669 24.299 3.842 1.00 16.60 C ATOM 1647 CG TRP A 470 -17.518 25.030 2.523 1.00 28.43 C ATOM 1648 CD1 TRP A 470 -17.009 24.518 1.354 1.00 50.70 C ATOM 1649 CD2 TRP A 470 -17.776 26.410 2.272 1.00 36.14 C ATOM 1650 NE1 TRP A 470 -16.960 25.501 0.387 1.00 46.31 N ATOM 1651 CE2 TRP A 470 -17.431 26.669 0.923 1.00 39.24 C ATOM 1652 CE3 TRP A 470 -18.297 27.448 3.043 1.00 30.11 C ATOM 1653 CZ2 TRP A 470 -17.584 27.925 0.342 1.00 46.22 C ATOM 1654 CZ3 TRP A 470 -18.448 28.703 2.464 1.00 30.01 C ATOM 1655 CH2 TRP A 470 -18.083 28.932 1.132 1.00 30.99 C ATOM 1656 HE1 TRP A 470 -16.621 25.375 -0.588 1.00 0.00 H ATOM 1657 H TRP A 470 -15.650 22.458 3.520 1.00 0.00 H ATOM 1658 N LEU A 471 -16.787 24.540 6.897 1.00 14.29 N ATOM 1659 CA LEU A 471 -16.874 24.194 8.307 1.00 12.24 C ATOM 1660 C LEU A 471 -18.309 24.292 8.805 1.00 12.23 C ATOM 1661 O LEU A 471 -19.092 25.156 8.371 1.00 14.53 O ATOM 1662 CB LEU A 471 -15.988 25.127 9.131 1.00 14.12 C ATOM 1663 CG LEU A 471 -14.537 25.229 8.666 1.00 18.39 C ATOM 1664 CD1 LEU A 471 -13.744 26.246 9.524 1.00 23.33 C ATOM 1665 CD2 LEU A 471 -13.843 23.866 8.718 1.00 23.13 C ATOM 1666 H LEU A 471 -16.979 25.524 6.621 1.00 0.00 H ATOM 1667 N TYR A 472 -18.625 23.459 9.804 1.00 12.23 N ATOM 1668 CA TYR A 472 -19.987 23.386 10.347 1.00 12.91 C ATOM 1669 C TYR A 472 -19.876 23.300 11.865 1.00 12.99 C ATOM 1670 O TYR A 472 -19.362 22.298 12.376 1.00 13.40 O ATOM 1671 CB TYR A 472 -20.730 22.151 9.809 1.00 11.41 C ATOM 1672 CG TYR A 472 -20.886 22.221 8.306 1.00 11.75 C ATOM 1673 CD1 TYR A 472 -21.987 22.874 7.756 1.00 12.69 C ATOM 1674 CD2 TYR A 472 -19.856 21.765 7.467 1.00 14.50 C ATOM 1675 CE1 TYR A 472 -22.086 23.002 6.360 1.00 15.14 C ATOM 1676 CE2 TYR A 472 -19.958 21.914 6.078 1.00 17.15 C ATOM 1677 CZ TYR A 472 -21.081 22.524 5.575 1.00 18.60 C ATOM 1678 OH TYR A 472 -21.191 22.709 4.203 1.00 23.77 O ATOM 1679 HH TYR A 472 -21.162 21.830 3.749 1.00 0.00 H ATOM 1680 H TYR A 472 -17.886 22.847 10.206 1.00 0.00 H ATOM 1681 N VAL A 473 -20.349 24.319 12.578 1.00 11.07 N ATOM 1682 CA VAL A 473 -20.326 24.312 14.041 1.00 12.13 C ATOM 1683 C VAL A 473 -21.735 23.985 14.492 1.00 13.98 C ATOM 1684 O VAL A 473 -22.634 24.801 14.339 1.00 13.52 O ATOM 1685 CB VAL A 473 -19.884 25.663 14.613 1.00 13.55 C ATOM 1686 CG1 VAL A 473 -19.756 25.504 16.151 1.00 12.03 C ATOM 1687 CG2 VAL A 473 -18.548 26.075 14.008 1.00 17.24 C ATOM 1688 H VAL A 473 -20.746 25.143 12.082 1.00 0.00 H ATOM 1689 N GLY A 474 -21.942 22.773 15.052 1.00 11.69 N ATOM 1690 CA GLY A 474 -23.278 22.297 15.335 1.00 13.22 C ATOM 1691 C GLY A 474 -23.698 22.494 16.797 1.00 12.44 C ATOM 1692 O GLY A 474 -22.870 22.649 17.704 1.00 12.08 O ATOM 1693 H GLY A 474 -21.126 22.171 15.284 1.00 0.00 H ATOM 1694 N MET A 475 -25.027 22.455 17.019 1.00 11.55 N ATOM 1695 CA MET A 475 -25.608 22.263 18.360 1.00 9.96 C ATOM 1696 C MET A 475 -26.711 21.229 18.209 1.00 12.68 C ATOM 1697 O MET A 475 -27.068 20.836 17.095 1.00 11.51 O ATOM 1698 CB MET A 475 -26.218 23.559 18.893 1.00 12.49 C ATOM 1699 CG MET A 475 -27.489 24.026 18.055 1.00 12.04 C ATOM 1700 SD MET A 475 -28.140 25.558 18.878 1.00 14.68 S ATOM 1701 CE MET A 475 -28.997 24.839 20.298 1.00 13.64 C ATOM 1702 H MET A 475 -25.670 22.565 16.209 1.00 0.00 H ATOM 1703 N CYS A 476 -27.250 20.773 19.333 1.00 13.12 N ATOM 1704 CA CYS A 476 -28.346 19.830 19.314 1.00 10.79 C ATOM 1705 C CYS A 476 -29.482 20.318 18.403 1.00 13.68 C ATOM 1706 O CYS A 476 -29.978 21.437 18.552 1.00 12.28 O ATOM 1707 CB CYS A 476 -28.828 19.659 20.780 1.00 13.60 C ATOM 1708 SG CYS A 476 -30.058 18.280 20.917 1.00 15.28 S ATOM 1709 H CYS A 476 -26.876 21.101 20.246 1.00 0.00 H ATOM 1710 N PHE A 477 -29.898 19.448 17.474 1.00 11.63 N ATOM 1711 CA PHE A 477 -31.031 19.574 16.562 1.00 12.39 C ATOM 1712 C PHE A 477 -30.692 20.445 15.355 1.00 11.30 C ATOM 1713 O PHE A 477 -31.537 20.575 14.479 1.00 13.64 O ATOM 1714 CB PHE A 477 -32.320 20.148 17.201 1.00 14.43 C ATOM 1715 CG PHE A 477 -32.908 19.351 18.329 1.00 13.09 C ATOM 1716 CD1 PHE A 477 -32.960 17.962 18.333 1.00 13.26 C ATOM 1717 CD2 PHE A 477 -33.454 20.041 19.420 1.00 13.27 C ATOM 1718 CE1 PHE A 477 -33.547 17.255 19.384 1.00 15.84 C ATOM 1719 CE2 PHE A 477 -34.016 19.352 20.501 1.00 14.90 C ATOM 1720 CZ PHE A 477 -34.052 17.959 20.488 1.00 15.67 C ATOM 1721 H PHE A 477 -29.344 18.572 17.392 1.00 0.00 H ATOM 1722 N SER A 478 -29.523 21.089 15.287 1.00 10.94 N ATOM 1723 CA SER A 478 -29.148 21.745 14.031 1.00 9.93 C ATOM 1724 C SER A 478 -29.013 20.699 12.929 1.00 11.53 C ATOM 1725 O SER A 478 -28.651 19.531 13.208 1.00 11.55 O ATOM 1726 CB SER A 478 -27.854 22.550 14.172 1.00 14.03 C ATOM 1727 OG SER A 478 -26.724 21.796 14.582 1.00 13.36 O ATOM 1728 HG SER A 478 -26.904 21.388 15.466 1.00 0.00 H ATOM 1729 H SER A 478 -28.890 21.124 16.111 1.00 0.00 H ATOM 1730 N SER A 479 -29.358 21.059 11.708 1.00 11.38 N ATOM 1731 CA SER A 479 -29.592 20.003 10.726 1.00 9.27 C ATOM 1732 C SER A 479 -29.313 20.447 9.300 1.00 13.01 C ATOM 1733 O SER A 479 -29.157 21.627 8.979 1.00 12.12 O ATOM 1734 CB SER A 479 -31.049 19.501 10.846 1.00 12.58 C ATOM 1735 OG SER A 479 -31.971 20.485 10.388 1.00 15.36 O ATOM 1736 HG SER A 479 -31.873 21.306 10.932 1.00 0.00 H ATOM 1737 H SER A 479 -29.460 22.062 11.453 1.00 0.00 H ATOM 1738 N PHE A 480 -29.229 19.449 8.450 1.00 7.99 N ATOM 1739 CA PHE A 480 -29.110 19.662 7.011 1.00 9.74 C ATOM 1740 C PHE A 480 -30.120 18.791 6.280 1.00 12.97 C ATOM 1741 O PHE A 480 -30.267 17.619 6.598 1.00 11.22 O ATOM 1742 CB PHE A 480 -27.669 19.402 6.489 1.00 12.28 C ATOM 1743 CG PHE A 480 -27.039 18.049 6.862 1.00 9.64 C ATOM 1744 CD1 PHE A 480 -26.503 17.825 8.123 1.00 11.06 C ATOM 1745 CD2 PHE A 480 -26.938 17.027 5.878 1.00 10.67 C ATOM 1746 CE1 PHE A 480 -25.854 16.593 8.444 1.00 12.66 C ATOM 1747 CE2 PHE A 480 -26.314 15.832 6.176 1.00 14.60 C ATOM 1748 CZ PHE A 480 -25.793 15.592 7.463 1.00 12.58 C ATOM 1749 H PHE A 480 -29.248 18.475 8.814 1.00 0.00 H ATOM 1750 N CYS A 481 -30.840 19.381 5.300 1.00 12.98 N ATOM 1751 CA CYS A 481 -31.907 18.603 4.663 1.00 13.64 C ATOM 1752 C CYS A 481 -31.390 17.798 3.494 1.00 13.27 C ATOM 1753 O CYS A 481 -30.208 17.869 3.136 1.00 12.27 O ATOM 1754 CB CYS A 481 -33.075 19.464 4.223 1.00 14.04 C ATOM 1755 SG CYS A 481 -32.613 20.737 3.109 1.00 22.42 S ATOM 1756 H CYS A 481 -30.643 20.359 5.006 1.00 0.00 H ATOM 1757 N TRP A 482 -32.299 17.019 2.888 1.00 10.15 N ATOM 1758 CA TRP A 482 -31.915 16.056 1.846 1.00 10.20 C ATOM 1759 C TRP A 482 -31.351 16.748 0.615 1.00 9.94 C ATOM 1760 O TRP A 482 -31.978 17.669 0.061 1.00 13.20 O ATOM 1761 CB TRP A 482 -33.136 15.226 1.443 1.00 10.37 C ATOM 1762 CG TRP A 482 -33.584 14.257 2.481 1.00 10.05 C ATOM 1763 CD1 TRP A 482 -34.677 14.383 3.265 1.00 11.29 C ATOM 1764 CD2 TRP A 482 -33.001 12.978 2.760 1.00 11.93 C ATOM 1765 NE1 TRP A 482 -34.784 13.276 4.093 1.00 12.32 N ATOM 1766 CE2 TRP A 482 -33.779 12.395 3.769 1.00 10.65 C ATOM 1767 CE3 TRP A 482 -31.882 12.300 2.256 1.00 12.52 C ATOM 1768 CZ2 TRP A 482 -33.490 11.120 4.306 1.00 11.73 C ATOM 1769 CZ3 TRP A 482 -31.597 11.025 2.766 1.00 10.59 C ATOM 1770 CH2 TRP A 482 -32.386 10.480 3.799 1.00 13.11 C ATOM 1771 HE1 TRP A 482 -35.502 13.136 4.833 1.00 0.00 H ATOM 1772 H TRP A 482 -33.299 17.098 3.162 1.00 0.00 H ATOM 1773 N HIS A 483 -30.167 16.298 0.192 1.00 9.64 N ATOM 1774 CA HIS A 483 -29.590 16.882 -1.024 1.00 8.49 C ATOM 1775 C HIS A 483 -28.550 15.945 -1.599 1.00 10.05 C ATOM 1776 O HIS A 483 -28.129 14.961 -0.946 1.00 10.00 O ATOM 1777 CB HIS A 483 -28.895 18.231 -0.728 1.00 11.72 C ATOM 1778 CG HIS A 483 -27.704 18.107 0.168 1.00 9.11 C ATOM 1779 ND1 HIS A 483 -27.852 17.879 1.521 1.00 9.89 N ATOM 1780 CD2 HIS A 483 -26.363 18.093 -0.066 1.00 8.57 C ATOM 1781 CE1 HIS A 483 -26.661 17.770 2.085 1.00 10.89 C ATOM 1782 NE2 HIS A 483 -25.733 17.903 1.156 1.00 10.09 N ATOM 1783 H HIS A 483 -29.665 15.551 0.713 1.00 0.00 H ATOM 1784 N ILE A 484 -28.216 16.212 -2.860 1.00 9.83 N ATOM 1785 CA ILE A 484 -27.015 15.663 -3.472 1.00 8.88 C ATOM 1786 C ILE A 484 -26.062 16.815 -3.788 1.00 11.46 C ATOM 1787 O ILE A 484 -26.404 18.008 -3.666 1.00 12.98 O ATOM 1788 CB ILE A 484 -27.320 14.819 -4.734 1.00 11.40 C ATOM 1789 CG1 ILE A 484 -28.199 15.640 -5.709 1.00 11.13 C ATOM 1790 CG2 ILE A 484 -28.066 13.494 -4.363 1.00 11.93 C ATOM 1791 CD1 ILE A 484 -28.569 14.879 -6.995 1.00 14.66 C ATOM 1792 H ILE A 484 -28.832 16.831 -3.425 1.00 0.00 H ATOM 1793 N GLU A 485 -24.818 16.459 -4.114 1.00 10.95 N ATOM 1794 CA GLU A 485 -23.811 17.480 -4.376 1.00 11.72 C ATOM 1795 C GLU A 485 -23.903 18.017 -5.799 1.00 14.00 C ATOM 1796 O GLU A 485 -24.342 17.338 -6.744 1.00 14.73 O ATOM 1797 CB GLU A 485 -22.387 16.961 -4.165 1.00 11.17 C ATOM 1798 CG GLU A 485 -22.192 16.336 -2.771 1.00 10.48 C ATOM 1799 CD GLU A 485 -22.614 17.281 -1.621 1.00 14.20 C ATOM 1800 OE1 GLU A 485 -22.408 18.520 -1.705 1.00 18.89 O ATOM 1801 OE2 GLU A 485 -23.166 16.771 -0.616 1.00 14.59 O ATOM 1802 H GLU A 485 -24.567 15.452 -4.181 1.00 0.00 H ATOM 1803 N ASP A 486 -23.388 19.239 -5.969 1.00 16.13 N ATOM 1804 CA ASP A 486 -23.169 19.753 -7.321 1.00 15.84 C ATOM 1805 C ASP A 486 -22.384 18.755 -8.174 1.00 18.60 C ATOM 1806 O ASP A 486 -21.394 18.160 -7.727 1.00 14.19 O ATOM 1807 CB ASP A 486 -22.419 21.099 -7.211 1.00 17.79 C ATOM 1808 H ASP A 486 -23.144 19.822 -5.143 1.00 0.00 H ATOM 1809 N HIS A 487 -22.791 18.606 -9.448 1.00 16.52 N ATOM 1810 CA HIS A 487 -22.125 17.715 -10.399 1.00 18.26 C ATOM 1811 C HIS A 487 -22.146 16.255 -9.950 1.00 16.95 C ATOM 1812 O HIS A 487 -21.332 15.449 -10.406 1.00 16.91 O ATOM 1813 CB HIS A 487 -20.673 18.169 -10.636 1.00 21.63 C ATOM 1814 CG HIS A 487 -20.568 19.628 -10.956 1.00 45.58 C ATOM 1815 ND1 HIS A 487 -21.334 20.226 -11.937 1.00 69.10 N ATOM 1816 CD2 HIS A 487 -19.824 20.617 -10.406 1.00 69.27 C ATOM 1817 CE1 HIS A 487 -21.051 21.515 -11.990 1.00 57.48 C ATOM 1818 NE2 HIS A 487 -20.139 21.778 -11.072 1.00 83.16 N ATOM 1819 H HIS A 487 -23.617 19.149 -9.772 1.00 0.00 H ATOM 1820 N TRP A 488 -23.075 15.922 -9.058 1.00 12.68 N ATOM 1821 CA TRP A 488 -23.165 14.570 -8.482 1.00 12.23 C ATOM 1822 C TRP A 488 -21.837 14.132 -7.845 1.00 11.47 C ATOM 1823 O TRP A 488 -21.492 12.948 -7.807 1.00 13.13 O ATOM 1824 CB TRP A 488 -23.635 13.571 -9.531 1.00 13.51 C ATOM 1825 CG TRP A 488 -25.071 13.707 -9.967 1.00 13.43 C ATOM 1826 CD1 TRP A 488 -25.992 14.664 -9.606 1.00 14.77 C ATOM 1827 CD2 TRP A 488 -25.712 12.871 -10.939 1.00 13.03 C ATOM 1828 NE1 TRP A 488 -27.185 14.437 -10.287 1.00 13.07 N ATOM 1829 CE2 TRP A 488 -27.034 13.338 -11.100 1.00 11.14 C ATOM 1830 CE3 TRP A 488 -25.292 11.759 -11.676 1.00 14.78 C ATOM 1831 CZ2 TRP A 488 -27.952 12.741 -12.002 1.00 14.65 C ATOM 1832 CZ3 TRP A 488 -26.209 11.151 -12.522 1.00 15.47 C ATOM 1833 CH2 TRP A 488 -27.519 11.644 -12.678 1.00 14.36 C ATOM 1834 HE1 TRP A 488 -28.050 15.006 -10.196 1.00 0.00 H ATOM 1835 H TRP A 488 -23.762 16.642 -8.757 1.00 0.00 H ATOM 1836 N SER A 489 -21.127 15.085 -7.228 1.00 13.34 N ATOM 1837 CA SER A 489 -19.809 14.795 -6.684 1.00 11.26 C ATOM 1838 C SER A 489 -19.865 13.844 -5.476 1.00 12.05 C ATOM 1839 O SER A 489 -20.839 13.826 -4.721 1.00 12.00 O ATOM 1840 CB SER A 489 -19.167 16.102 -6.170 1.00 13.38 C ATOM 1841 OG SER A 489 -17.775 15.953 -5.909 1.00 17.70 O ATOM 1842 HG SER A 489 -17.642 15.254 -5.221 1.00 0.00 H ATOM 1843 H SER A 489 -21.522 16.043 -7.137 1.00 0.00 H ATOM 1844 N TYR A 490 -18.768 13.112 -5.290 1.00 10.05 N ATOM 1845 CA TYR A 490 -18.478 12.554 -3.956 1.00 9.66 C ATOM 1846 C TYR A 490 -18.305 13.678 -2.930 1.00 9.54 C ATOM 1847 O TYR A 490 -17.875 14.792 -3.271 1.00 12.20 O ATOM 1848 CB TYR A 490 -17.140 11.789 -3.976 1.00 12.92 C ATOM 1849 CG TYR A 490 -17.078 10.445 -4.617 1.00 11.03 C ATOM 1850 CD1 TYR A 490 -16.876 10.331 -5.982 1.00 15.94 C ATOM 1851 CD2 TYR A 490 -17.165 9.306 -3.805 1.00 15.77 C ATOM 1852 CE1 TYR A 490 -16.792 9.053 -6.573 1.00 24.08 C ATOM 1853 CE2 TYR A 490 -17.068 8.043 -4.395 1.00 18.98 C ATOM 1854 CZ TYR A 490 -16.883 7.956 -5.745 1.00 20.29 C ATOM 1855 OH TYR A 490 -16.808 6.707 -6.345 1.00 29.79 O ATOM 1856 HH TYR A 490 -16.673 6.818 -7.320 1.00 0.00 H ATOM 1857 H TYR A 490 -18.118 12.935 -6.082 1.00 0.00 H ATOM 1858 N SER A 491 -18.567 13.378 -1.653 1.00 8.95 N ATOM 1859 CA SER A 491 -18.083 14.283 -0.616 1.00 9.94 C ATOM 1860 C SER A 491 -17.460 13.491 0.536 1.00 10.55 C ATOM 1861 O SER A 491 -17.728 12.280 0.720 1.00 12.05 O ATOM 1862 CB SER A 491 -19.193 15.186 -0.061 1.00 16.45 C ATOM 1863 OG SER A 491 -20.047 14.550 0.889 1.00 15.44 O ATOM 1864 HG SER A 491 -20.733 15.194 1.198 1.00 0.00 H ATOM 1865 H SER A 491 -19.102 12.521 -1.406 1.00 0.00 H ATOM 1866 N ILE A 492 -16.547 14.142 1.247 1.00 12.50 N ATOM 1867 CA ILE A 492 -15.964 13.546 2.455 1.00 8.84 C ATOM 1868 C ILE A 492 -16.111 14.541 3.584 1.00 11.12 C ATOM 1869 O ILE A 492 -16.042 15.758 3.369 1.00 11.57 O ATOM 1870 CB ILE A 492 -14.485 13.111 2.218 1.00 11.69 C ATOM 1871 CG1 ILE A 492 -13.930 12.395 3.467 1.00 13.68 C ATOM 1872 CG2 ILE A 492 -13.599 14.315 1.835 1.00 14.28 C ATOM 1873 CD1 ILE A 492 -12.689 11.539 3.146 1.00 17.97 C ATOM 1874 H ILE A 492 -16.240 15.088 0.943 1.00 0.00 H ATOM 1875 N ASN A 493 -16.390 14.015 4.777 1.00 10.74 N ATOM 1876 CA ASN A 493 -16.800 14.806 5.924 1.00 10.77 C ATOM 1877 C ASN A 493 -16.018 14.308 7.123 1.00 13.12 C ATOM 1878 O ASN A 493 -16.037 13.116 7.394 1.00 13.02 O ATOM 1879 CB ASN A 493 -18.314 14.606 6.122 1.00 11.83 C ATOM 1880 CG ASN A 493 -19.112 14.975 4.883 1.00 18.05 C ATOM 1881 OD1 ASN A 493 -19.628 16.088 4.808 1.00 17.48 O ATOM 1882 ND2 ASN A 493 -19.218 14.055 3.873 1.00 12.77 N ATOM 1883 HD22 ASN A 493 -18.769 13.122 3.970 1.00 0.00 H ATOM 1884 HD21 ASN A 493 -19.748 14.290 3.009 1.00 0.00 H ATOM 1885 H ASN A 493 -16.310 12.985 4.892 1.00 0.00 H ATOM 1886 N TYR A 494 -15.400 15.207 7.894 1.00 10.97 N ATOM 1887 CA TYR A 494 -14.669 14.786 9.088 1.00 10.58 C ATOM 1888 C TYR A 494 -15.196 15.524 10.318 1.00 11.96 C ATOM 1889 O TYR A 494 -15.352 16.761 10.282 1.00 12.67 O ATOM 1890 CB TYR A 494 -13.165 15.084 8.933 1.00 11.06 C ATOM 1891 CG TYR A 494 -12.276 14.610 10.081 1.00 13.66 C ATOM 1892 CD1 TYR A 494 -12.031 13.278 10.279 1.00 13.92 C ATOM 1893 CD2 TYR A 494 -11.694 15.547 10.962 1.00 16.16 C ATOM 1894 CE1 TYR A 494 -11.222 12.832 11.316 1.00 16.68 C ATOM 1895 CE2 TYR A 494 -10.879 15.130 11.971 1.00 17.45 C ATOM 1896 CZ TYR A 494 -10.646 13.763 12.143 1.00 17.90 C ATOM 1897 OH TYR A 494 -9.857 13.346 13.186 1.00 17.61 O ATOM 1898 HH TYR A 494 -9.789 12.358 13.172 1.00 0.00 H ATOM 1899 H TYR A 494 -15.439 16.215 7.643 1.00 0.00 H ATOM 1900 N LEU A 495 -15.461 14.782 11.379 1.00 11.96 N ATOM 1901 CA LEU A 495 -15.882 15.395 12.650 1.00 11.61 C ATOM 1902 C LEU A 495 -14.645 15.600 13.527 1.00 14.45 C ATOM 1903 O LEU A 495 -14.061 14.641 14.076 1.00 15.99 O ATOM 1904 CB LEU A 495 -16.947 14.562 13.344 1.00 11.37 C ATOM 1905 CG LEU A 495 -17.659 15.303 14.497 1.00 12.80 C ATOM 1906 CD1 LEU A 495 -18.548 16.452 13.928 1.00 15.43 C ATOM 1907 CD2 LEU A 495 -18.525 14.326 15.246 1.00 17.30 C ATOM 1908 H LEU A 495 -15.371 13.748 11.315 1.00 0.00 H ATOM 1909 N HIS A 496 -14.210 16.866 13.603 1.00 13.09 N ATOM 1910 CA HIS A 496 -12.996 17.187 14.377 1.00 13.65 C ATOM 1911 C HIS A 496 -13.161 16.885 15.854 1.00 17.54 C ATOM 1912 O HIS A 496 -12.236 16.362 16.482 1.00 18.61 O ATOM 1913 CB HIS A 496 -12.600 18.648 14.207 1.00 14.10 C ATOM 1914 CG HIS A 496 -11.998 18.913 12.869 1.00 14.99 C ATOM 1915 ND1 HIS A 496 -10.694 18.583 12.581 1.00 16.36 N ATOM 1916 CD2 HIS A 496 -12.527 19.421 11.730 1.00 14.55 C ATOM 1917 CE1 HIS A 496 -10.442 18.883 11.313 1.00 14.73 C ATOM 1918 NE2 HIS A 496 -11.526 19.418 10.784 1.00 17.86 N ATOM 1919 H HIS A 496 -14.730 17.623 13.115 1.00 0.00 H ATOM 1920 N TRP A 497 -14.299 17.266 16.439 1.00 14.36 N ATOM 1921 CA TRP A 497 -14.507 17.094 17.865 1.00 13.45 C ATOM 1922 C TRP A 497 -15.981 17.326 18.164 1.00 13.34 C ATOM 1923 O TRP A 497 -16.718 17.836 17.327 1.00 12.78 O ATOM 1924 CB TRP A 497 -13.619 18.031 18.709 1.00 15.72 C ATOM 1925 CG TRP A 497 -13.570 19.477 18.377 1.00 16.37 C ATOM 1926 CD1 TRP A 497 -12.529 20.097 17.742 1.00 16.32 C ATOM 1927 CD2 TRP A 497 -14.559 20.508 18.626 1.00 15.59 C ATOM 1928 NE1 TRP A 497 -12.790 21.448 17.620 1.00 18.31 N ATOM 1929 CE2 TRP A 497 -14.023 21.726 18.136 1.00 18.66 C ATOM 1930 CE3 TRP A 497 -15.848 20.525 19.200 1.00 15.79 C ATOM 1931 CZ2 TRP A 497 -14.716 22.956 18.198 1.00 16.40 C ATOM 1932 CZ3 TRP A 497 -16.536 21.775 19.274 1.00 14.77 C ATOM 1933 CH2 TRP A 497 -15.965 22.963 18.769 1.00 16.09 C ATOM 1934 HE1 TRP A 497 -12.145 22.147 17.199 1.00 0.00 H ATOM 1935 H TRP A 497 -15.051 17.694 15.862 1.00 0.00 H ATOM 1936 N GLY A 498 -16.389 16.950 19.377 1.00 15.88 N ATOM 1937 CA GLY A 498 -17.744 17.184 19.870 1.00 14.05 C ATOM 1938 C GLY A 498 -18.646 15.960 19.785 1.00 13.84 C ATOM 1939 O GLY A 498 -18.210 14.820 19.580 1.00 16.97 O ATOM 1940 H GLY A 498 -15.711 16.468 20.001 1.00 0.00 H ATOM 1941 N GLU A 499 -19.940 16.217 20.018 1.00 13.01 N ATOM 1942 CA GLU A 499 -20.953 15.174 20.068 1.00 10.60 C ATOM 1943 C GLU A 499 -21.248 14.689 18.659 1.00 11.57 C ATOM 1944 O GLU A 499 -20.934 15.382 17.692 1.00 12.93 O ATOM 1945 CB GLU A 499 -22.219 15.724 20.747 1.00 13.29 C ATOM 1946 CG GLU A 499 -21.952 16.027 22.272 1.00 19.72 C ATOM 1947 CD GLU A 499 -23.229 16.396 23.069 1.00 27.64 C ATOM 1948 OE1 GLU A 499 -23.354 17.565 23.492 1.00 23.76 O ATOM 1949 OE2 GLU A 499 -24.083 15.520 23.311 1.00 37.15 O ATOM 1950 H GLU A 499 -20.233 17.203 20.169 1.00 0.00 H ATOM 1951 N PRO A 500 -21.848 13.509 18.505 1.00 11.30 N ATOM 1952 CA PRO A 500 -21.989 12.938 17.152 1.00 11.00 C ATOM 1953 C PRO A 500 -22.865 13.744 16.209 1.00 11.36 C ATOM 1954 O PRO A 500 -23.757 14.512 16.595 1.00 11.36 O ATOM 1955 CB PRO A 500 -22.608 11.552 17.391 1.00 11.54 C ATOM 1956 CG PRO A 500 -22.274 11.283 18.847 1.00 15.68 C ATOM 1957 CD PRO A 500 -22.277 12.564 19.572 1.00 13.52 C ATOM 1958 N LYS A 501 -22.610 13.503 14.925 1.00 10.91 N ATOM 1959 CA LYS A 501 -23.456 13.986 13.838 1.00 10.33 C ATOM 1960 C LYS A 501 -24.221 12.777 13.312 1.00 9.42 C ATOM 1961 O LYS A 501 -23.600 11.780 12.934 1.00 11.29 O ATOM 1962 CB LYS A 501 -22.592 14.633 12.771 1.00 10.45 C ATOM 1963 CG LYS A 501 -23.362 15.185 11.522 1.00 12.65 C ATOM 1964 CD LYS A 501 -22.396 15.782 10.478 1.00 11.56 C ATOM 1965 CE LYS A 501 -21.584 16.969 11.032 1.00 10.76 C ATOM 1966 NZ LYS A 501 -22.462 18.237 11.187 1.00 10.35 N ATOM 1967 HZ1 LYS A 501 -22.847 18.506 10.259 1.00 0.00 H ATOM 1968 HZ2 LYS A 501 -23.244 18.038 11.844 1.00 0.00 H ATOM 1969 HZ3 LYS A 501 -21.882 19.015 11.562 1.00 0.00 H ATOM 1970 H LYS A 501 -21.767 12.943 14.685 1.00 0.00 H ATOM 1971 N THR A 502 -25.554 12.836 13.324 1.00 9.08 N ATOM 1972 CA THR A 502 -26.363 11.707 12.873 1.00 9.70 C ATOM 1973 C THR A 502 -26.709 11.890 11.397 1.00 7.97 C ATOM 1974 O THR A 502 -27.146 12.975 10.977 1.00 10.57 O ATOM 1975 CB THR A 502 -27.631 11.596 13.711 1.00 11.62 C ATOM 1976 OG1 THR A 502 -27.288 11.188 15.047 1.00 11.90 O ATOM 1977 CG2 THR A 502 -28.620 10.573 13.141 1.00 12.71 C ATOM 1978 HG1 THR A 502 -26.834 10.309 15.016 1.00 0.00 H ATOM 1979 H THR A 502 -26.025 13.700 13.660 1.00 0.00 H ATOM 1980 N TRP A 503 -26.498 10.832 10.603 1.00 7.83 N ATOM 1981 CA TRP A 503 -26.637 10.916 9.150 1.00 9.42 C ATOM 1982 C TRP A 503 -27.710 9.938 8.663 1.00 7.30 C ATOM 1983 O TRP A 503 -27.883 8.862 9.250 1.00 9.91 O ATOM 1984 CB TRP A 503 -25.357 10.430 8.437 1.00 9.96 C ATOM 1985 CG TRP A 503 -24.200 11.328 8.557 1.00 7.74 C ATOM 1986 CD1 TRP A 503 -23.420 11.545 9.691 1.00 10.12 C ATOM 1987 CD2 TRP A 503 -23.669 12.154 7.524 1.00 9.30 C ATOM 1988 NE1 TRP A 503 -22.441 12.469 9.409 1.00 10.65 N ATOM 1989 CE2 TRP A 503 -22.544 12.841 8.080 1.00 9.66 C ATOM 1990 CE3 TRP A 503 -24.017 12.356 6.168 1.00 9.68 C ATOM 1991 CZ2 TRP A 503 -21.780 13.738 7.341 1.00 10.20 C ATOM 1992 CZ3 TRP A 503 -23.260 13.235 5.416 1.00 11.28 C ATOM 1993 CH2 TRP A 503 -22.147 13.916 5.993 1.00 9.78 C ATOM 1994 HE1 TRP A 503 -21.738 12.830 10.085 1.00 0.00 H ATOM 1995 H TRP A 503 -26.227 9.924 11.033 1.00 0.00 H ATOM 1996 N TYR A 504 -28.334 10.298 7.544 1.00 10.18 N ATOM 1997 CA TYR A 504 -29.180 9.391 6.770 1.00 10.75 C ATOM 1998 C TYR A 504 -28.731 9.464 5.321 1.00 9.21 C ATOM 1999 O TYR A 504 -28.400 10.553 4.829 1.00 10.77 O ATOM 2000 CB TYR A 504 -30.678 9.767 6.863 1.00 10.61 C ATOM 2001 CG TYR A 504 -31.117 9.877 8.267 1.00 10.11 C ATOM 2002 CD1 TYR A 504 -31.319 8.737 9.041 1.00 9.27 C ATOM 2003 CD2 TYR A 504 -31.302 11.140 8.848 1.00 12.84 C ATOM 2004 CE1 TYR A 504 -31.665 8.880 10.378 1.00 9.00 C ATOM 2005 CE2 TYR A 504 -31.644 11.271 10.207 1.00 15.01 C ATOM 2006 CZ TYR A 504 -31.857 10.120 10.919 1.00 13.72 C ATOM 2007 OH TYR A 504 -32.213 10.225 12.255 1.00 13.46 O ATOM 2008 HH TYR A 504 -32.332 9.319 12.636 1.00 0.00 H ATOM 2009 H TYR A 504 -28.214 11.273 7.203 1.00 0.00 H ATOM 2010 N GLY A 505 -28.653 8.292 4.668 1.00 9.72 N ATOM 2011 CA GLY A 505 -28.180 8.238 3.280 1.00 9.52 C ATOM 2012 C GLY A 505 -29.042 7.306 2.463 1.00 9.70 C ATOM 2013 O GLY A 505 -29.632 6.357 2.978 1.00 11.71 O ATOM 2014 H GLY A 505 -28.931 7.414 5.151 1.00 0.00 H ATOM 2015 N VAL A 506 -29.149 7.641 1.171 1.00 10.40 N ATOM 2016 CA VAL A 506 -29.901 6.870 0.190 1.00 11.33 C ATOM 2017 C VAL A 506 -28.961 6.526 -0.962 1.00 12.77 C ATOM 2018 O VAL A 506 -28.325 7.426 -1.512 1.00 11.99 O ATOM 2019 CB VAL A 506 -31.117 7.658 -0.340 1.00 11.16 C ATOM 2020 CG1 VAL A 506 -31.787 6.908 -1.506 1.00 12.76 C ATOM 2021 CG2 VAL A 506 -32.157 7.893 0.797 1.00 12.32 C ATOM 2022 H VAL A 506 -28.666 8.504 0.848 1.00 0.00 H ATOM 2023 N PRO A 507 -28.820 5.256 -1.350 1.00 10.75 N ATOM 2024 CA PRO A 507 -27.953 4.917 -2.470 1.00 9.71 C ATOM 2025 C PRO A 507 -28.432 5.531 -3.771 1.00 11.89 C ATOM 2026 O PRO A 507 -29.620 5.798 -3.983 1.00 12.12 O ATOM 2027 CB PRO A 507 -28.013 3.378 -2.519 1.00 11.50 C ATOM 2028 CG PRO A 507 -29.396 3.055 -1.989 1.00 11.87 C ATOM 2029 CD PRO A 507 -29.514 4.066 -0.817 1.00 11.56 C ATOM 2030 N SER A 508 -27.468 5.808 -4.633 1.00 10.79 N ATOM 2031 CA SER A 508 -27.799 6.467 -5.905 1.00 13.00 C ATOM 2032 C SER A 508 -28.770 5.694 -6.772 1.00 13.11 C ATOM 2033 O SER A 508 -29.469 6.312 -7.600 1.00 13.86 O ATOM 2034 CB SER A 508 -26.547 6.761 -6.724 1.00 14.04 C ATOM 2035 OG SER A 508 -25.864 5.552 -7.047 1.00 16.42 O ATOM 2036 HG SER A 508 -25.055 5.763 -7.578 1.00 0.00 H ATOM 2037 H SER A 508 -26.482 5.561 -4.413 1.00 0.00 H ATOM 2038 N HIS A 509 -28.810 4.355 -6.659 1.00 11.30 N ATOM 2039 CA HIS A 509 -29.788 3.650 -7.480 1.00 13.07 C ATOM 2040 C HIS A 509 -31.213 3.981 -7.108 1.00 15.27 C ATOM 2041 O HIS A 509 -32.129 3.691 -7.901 1.00 18.27 O ATOM 2042 CB HIS A 509 -29.600 2.108 -7.438 1.00 15.04 C ATOM 2043 CG HIS A 509 -30.011 1.470 -6.143 1.00 16.16 C ATOM 2044 ND1 HIS A 509 -29.092 0.963 -5.248 1.00 20.43 N ATOM 2045 CD2 HIS A 509 -31.241 1.187 -5.627 1.00 18.61 C ATOM 2046 CE1 HIS A 509 -29.729 0.436 -4.216 1.00 15.01 C ATOM 2047 NE2 HIS A 509 -31.030 0.573 -4.413 1.00 19.33 N ATOM 2048 H HIS A 509 -28.172 3.845 -6.015 1.00 0.00 H ATOM 2049 N ALA A 510 -31.426 4.614 -5.953 1.00 12.83 N ATOM 2050 CA ALA A 510 -32.765 4.990 -5.532 1.00 13.26 C ATOM 2051 C ALA A 510 -32.974 6.498 -5.587 1.00 16.79 C ATOM 2052 O ALA A 510 -34.005 6.984 -5.098 1.00 17.19 O ATOM 2053 CB ALA A 510 -33.041 4.485 -4.109 1.00 14.29 C ATOM 2054 H ALA A 510 -30.617 4.843 -5.341 1.00 0.00 H ATOM 2055 N ALA A 511 -32.091 7.232 -6.285 1.00 13.13 N ATOM 2056 CA ALA A 511 -32.261 8.684 -6.357 1.00 12.96 C ATOM 2057 C ALA A 511 -33.595 9.085 -6.973 1.00 18.62 C ATOM 2058 O ALA A 511 -34.260 10.021 -6.488 1.00 16.50 O ATOM 2059 CB ALA A 511 -31.095 9.308 -7.123 1.00 13.40 C ATOM 2060 H ALA A 511 -31.294 6.772 -6.770 1.00 0.00 H ATOM 2061 N GLU A 512 -34.011 8.396 -8.046 1.00 18.30 N ATOM 2062 CA GLU A 512 -35.257 8.791 -8.694 1.00 20.74 C ATOM 2063 C GLU A 512 -36.442 8.459 -7.839 1.00 18.09 C ATOM 2064 O GLU A 512 -37.441 9.199 -7.868 1.00 24.73 O ATOM 2065 CB GLU A 512 -35.445 8.089 -10.030 1.00 22.32 C ATOM 2066 CG GLU A 512 -34.529 8.599 -11.032 1.00 22.84 C ATOM 2067 CD GLU A 512 -33.218 7.851 -11.018 1.00 43.76 C ATOM 2068 OE1 GLU A 512 -32.458 8.147 -11.947 1.00 28.60 O ATOM 2069 OE2 GLU A 512 -32.948 6.985 -10.118 1.00 31.59 O ATOM 2070 H GLU A 512 -33.456 7.595 -8.409 1.00 0.00 H ATOM 2071 N GLN A 513 -36.353 7.368 -7.079 1.00 21.91 N ATOM 2072 CA GLN A 513 -37.432 7.027 -6.170 1.00 24.07 C ATOM 2073 C GLN A 513 -37.594 8.119 -5.137 1.00 20.04 C ATOM 2074 O GLN A 513 -38.715 8.551 -4.848 1.00 22.04 O ATOM 2075 CB GLN A 513 -37.165 5.701 -5.466 1.00 21.02 C ATOM 2076 CG GLN A 513 -36.893 4.534 -6.423 1.00 60.14 C ATOM 2077 CD GLN A 513 -36.347 3.295 -5.723 1.00 49.37 C ATOM 2078 OE1 GLN A 513 -35.527 2.559 -6.289 1.00 53.68 O ATOM 2079 NE2 GLN A 513 -36.798 3.060 -4.484 1.00 36.50 N ATOM 2080 HE22 GLN A 513 -37.487 3.707 -4.050 1.00 0.00 H ATOM 2081 HE21 GLN A 513 -36.459 2.231 -3.956 1.00 0.00 H ATOM 2082 H GLN A 513 -35.511 6.761 -7.137 1.00 0.00 H ATOM 2083 N LEU A 514 -36.480 8.589 -4.581 1.00 15.37 N ATOM 2084 CA LEU A 514 -36.593 9.612 -3.550 1.00 14.06 C ATOM 2085 C LEU A 514 -37.188 10.879 -4.143 1.00 20.02 C ATOM 2086 O LEU A 514 -38.041 11.531 -3.523 1.00 17.07 O ATOM 2087 CB LEU A 514 -35.214 9.884 -2.929 1.00 16.21 C ATOM 2088 CG LEU A 514 -35.168 11.067 -1.926 1.00 14.49 C ATOM 2089 CD1 LEU A 514 -34.137 10.785 -0.884 1.00 18.11 C ATOM 2090 CD2 LEU A 514 -34.815 12.444 -2.585 1.00 16.80 C ATOM 2091 H LEU A 514 -35.548 8.233 -4.876 1.00 0.00 H ATOM 2092 N GLU A 515 -36.766 11.227 -5.350 1.00 19.28 N ATOM 2093 CA GLU A 515 -37.257 12.468 -5.960 1.00 19.99 C ATOM 2094 C GLU A 515 -38.751 12.373 -6.242 1.00 20.59 C ATOM 2095 O GLU A 515 -39.471 13.368 -6.074 1.00 22.32 O ATOM 2096 CB GLU A 515 -36.470 12.771 -7.238 1.00 21.03 C ATOM 2097 CG GLU A 515 -35.048 13.161 -6.903 1.00 16.46 C ATOM 2098 CD GLU A 515 -34.125 13.341 -8.110 1.00 19.33 C ATOM 2099 OE1 GLU A 515 -34.575 13.073 -9.263 1.00 26.91 O ATOM 2100 OE2 GLU A 515 -32.950 13.782 -7.950 1.00 20.56 O ATOM 2101 H GLU A 515 -36.091 10.624 -5.862 1.00 0.00 H ATOM 2102 N GLU A 516 -39.227 11.184 -6.585 1.00 24.63 N ATOM 2103 CA GLU A 516 -40.657 10.986 -6.816 1.00 26.44 C ATOM 2104 C GLU A 516 -41.451 11.128 -5.521 1.00 27.39 C ATOM 2105 O GLU A 516 -42.502 11.781 -5.508 1.00 28.89 O ATOM 2106 CB GLU A 516 -40.888 9.622 -7.468 1.00 28.27 C ATOM 2107 CG GLU A 516 -42.324 9.200 -7.592 1.00 51.15 C ATOM 2108 CD GLU A 516 -43.025 9.948 -8.686 1.00 68.80 C ATOM 2109 OE1 GLU A 516 -42.323 10.550 -9.528 1.00 96.95 O ATOM 2110 OE2 GLU A 516 -44.273 9.939 -8.699 1.00104.97 O ATOM 2111 H GLU A 516 -38.574 10.381 -6.691 1.00 0.00 H ATOM 2112 N VAL A 517 -40.953 10.567 -4.414 1.00 22.85 N ATOM 2113 CA VAL A 517 -41.657 10.721 -3.141 1.00 19.45 C ATOM 2114 C VAL A 517 -41.678 12.185 -2.737 1.00 21.86 C ATOM 2115 O VAL A 517 -42.679 12.704 -2.230 1.00 21.77 O ATOM 2116 CB VAL A 517 -41.010 9.848 -2.047 1.00 24.70 C ATOM 2117 CG1 VAL A 517 -41.654 10.103 -0.705 1.00 25.72 C ATOM 2118 CG2 VAL A 517 -41.100 8.376 -2.412 1.00 26.63 C ATOM 2119 H VAL A 517 -40.068 10.023 -4.458 1.00 0.00 H ATOM 2120 N MET A 518 -40.569 12.879 -2.961 1.00 18.08 N ATOM 2121 CA MET A 518 -40.521 14.302 -2.637 1.00 25.26 C ATOM 2122 C MET A 518 -41.592 15.077 -3.393 1.00 36.70 C ATOM 2123 O MET A 518 -42.329 15.871 -2.803 1.00 46.02 O ATOM 2124 CB MET A 518 -39.142 14.839 -2.963 1.00 25.51 C ATOM 2125 CG MET A 518 -38.140 14.478 -1.956 1.00 29.75 C ATOM 2126 SD MET A 518 -38.291 15.523 -0.488 1.00 42.58 S ATOM 2127 CE MET A 518 -36.981 14.718 0.444 1.00 34.06 C ATOM 2128 H MET A 518 -39.735 12.409 -3.367 1.00 0.00 H ATOM 2129 N ARG A 519 -41.712 14.840 -4.694 1.00 37.91 N ATOM 2130 CA ARG A 519 -42.715 15.561 -5.483 1.00 50.31 C ATOM 2131 C ARG A 519 -44.137 15.242 -5.015 1.00 46.96 C ATOM 2132 O ARG A 519 -44.989 16.133 -4.942 1.00 60.16 O ATOM 2133 CB ARG A 519 -42.550 15.233 -6.970 1.00 63.02 C ATOM 2134 H ARG A 519 -41.093 14.142 -5.154 1.00 0.00 H ATOM 2135 N GLU A 520 -44.406 13.979 -4.690 1.00 34.37 N ATOM 2136 CA GLU A 520 -45.711 13.587 -4.168 1.00 40.61 C ATOM 2137 C GLU A 520 -46.039 14.305 -2.861 1.00 42.83 C ATOM 2138 O GLU A 520 -47.180 14.723 -2.648 1.00 41.09 O ATOM 2139 CB GLU A 520 -45.743 12.072 -3.968 1.00 37.44 C ATOM 2140 CG GLU A 520 -47.064 11.502 -3.434 1.00 57.08 C ATOM 2141 CD GLU A 520 -46.950 10.038 -2.969 1.00 85.34 C ATOM 2142 OE1 GLU A 520 -47.830 9.581 -2.206 1.00 81.63 O ATOM 2143 OE2 GLU A 520 -45.982 9.344 -3.355 1.00 96.05 O ATOM 2144 H GLU A 520 -43.669 13.255 -4.811 1.00 0.00 H ATOM 2145 N LEU A 521 -45.056 14.470 -1.975 1.00 24.17 N ATOM 2146 CA LEU A 521 -45.347 14.880 -0.601 1.00 24.28 C ATOM 2147 C LEU A 521 -44.801 16.235 -0.206 1.00 41.25 C ATOM 2148 O LEU A 521 -45.258 16.787 0.802 1.00 30.40 O ATOM 2149 CB LEU A 521 -44.827 13.842 0.402 1.00 29.13 C ATOM 2150 CG LEU A 521 -45.386 12.435 0.212 1.00 37.19 C ATOM 2151 CD1 LEU A 521 -44.807 11.511 1.245 1.00 43.93 C ATOM 2152 CD2 LEU A 521 -46.915 12.425 0.284 1.00 43.89 C ATOM 2153 H LEU A 521 -44.071 14.305 -2.264 1.00 0.00 H ATOM 2154 N ALA A 522 -43.857 16.791 -0.945 1.00 38.27 N ATOM 2155 CA ALA A 522 -43.386 18.118 -0.599 1.00 42.69 C ATOM 2156 C ALA A 522 -44.487 19.142 -0.860 1.00 30.67 C ATOM 2157 O ALA A 522 -45.360 18.923 -1.709 1.00 38.78 O ATOM 2158 CB ALA A 522 -42.126 18.476 -1.393 1.00 43.98 C ATOM 2159 H ALA A 522 -43.458 16.285 -1.761 1.00 0.00 H ATOM 2160 N PRO A 523 -44.485 20.262 -0.122 1.00 32.38 N ATOM 2161 CA PRO A 523 -45.444 21.337 -0.399 1.00 36.59 C ATOM 2162 C PRO A 523 -45.453 21.694 -1.878 1.00 32.59 C ATOM 2163 O PRO A 523 -44.406 21.760 -2.522 1.00 45.26 O ATOM 2164 CB PRO A 523 -44.926 22.503 0.456 1.00 44.51 C ATOM 2165 CG PRO A 523 -44.132 21.878 1.516 1.00 32.18 C ATOM 2166 CD PRO A 523 -43.554 20.614 0.964 1.00 35.00 C ATOM 2167 N GLU A 524 -46.653 21.919 -2.417 1.00 47.53 N ATOM 2168 CA GLU A 524 -46.781 22.198 -3.846 1.00 78.31 C ATOM 2169 C GLU A 524 -45.991 23.443 -4.241 1.00 76.85 C ATOM 2170 O GLU A 524 -45.228 23.424 -5.220 1.00 47.76 O ATOM 2171 CB GLU A 524 -48.256 22.347 -4.213 1.00 69.04 C ATOM 2172 H GLU A 524 -47.502 21.896 -1.817 1.00 0.00 H ATOM 2173 N LEU A 525 -46.138 24.527 -3.465 1.00 53.81 N ATOM 2174 CA LEU A 525 -45.433 25.777 -3.750 1.00 43.99 C ATOM 2175 C LEU A 525 -43.946 25.559 -3.976 1.00 43.15 C ATOM 2176 O LEU A 525 -43.296 26.312 -4.713 1.00 41.09 O ATOM 2177 CB LEU A 525 -45.642 26.763 -2.598 1.00 46.27 C ATOM 2178 CG LEU A 525 -46.919 27.593 -2.670 1.00 69.82 C ATOM 2179 CD1 LEU A 525 -47.168 28.329 -1.364 1.00 66.32 C ATOM 2180 CD2 LEU A 525 -46.787 28.569 -3.811 1.00 60.59 C ATOM 2181 H LEU A 525 -46.769 24.478 -2.640 1.00 0.00 H ATOM 2182 N PHE A 526 -43.381 24.551 -3.348 1.00 26.20 N ATOM 2183 CA PHE A 526 -41.972 24.286 -3.508 1.00 27.62 C ATOM 2184 C PHE A 526 -41.717 23.136 -4.469 1.00 66.32 C ATOM 2185 O PHE A 526 -40.584 22.983 -4.928 1.00 33.96 O ATOM 2186 CB PHE A 526 -41.326 23.995 -2.164 1.00 30.20 C ATOM 2187 CG PHE A 526 -41.507 25.105 -1.156 1.00 22.95 C ATOM 2188 CD1 PHE A 526 -41.646 26.426 -1.569 1.00 24.40 C ATOM 2189 CD2 PHE A 526 -41.536 24.821 0.191 1.00 23.47 C ATOM 2190 CE1 PHE A 526 -41.813 27.458 -0.626 1.00 20.47 C ATOM 2191 CE2 PHE A 526 -41.691 25.845 1.145 1.00 22.25 C ATOM 2192 CZ PHE A 526 -41.838 27.162 0.712 1.00 22.03 C ATOM 2193 H PHE A 526 -43.954 23.940 -2.731 1.00 0.00 H ATOM 2194 N GLU A 527 -42.748 22.349 -4.797 1.00 61.65 N ATOM 2195 CA GLU A 527 -42.551 21.159 -5.623 1.00 90.18 C ATOM 2196 C GLU A 527 -42.119 21.534 -7.035 1.00 59.62 C ATOM 2197 O GLU A 527 -41.227 20.894 -7.610 1.00 54.01 O ATOM 2198 CB GLU A 527 -43.835 20.327 -5.652 1.00 77.27 C ATOM 2199 H GLU A 527 -43.703 22.587 -4.460 1.00 0.00 H ATOM 2200 N SER A 528 -42.741 22.581 -7.593 1.00 36.30 N ATOM 2201 CA SER A 528 -42.461 23.125 -8.920 1.00 36.77 C ATOM 2202 C SER A 528 -41.117 23.834 -9.026 1.00 30.86 C ATOM 2203 O SER A 528 -40.710 24.172 -10.137 1.00 31.03 O ATOM 2204 CB SER A 528 -43.565 24.102 -9.309 1.00 63.85 C ATOM 2205 OG SER A 528 -43.902 24.919 -8.203 1.00 61.34 O ATOM 2206 HG SER A 528 -43.103 25.428 -7.915 1.00 0.00 H ATOM 2207 H SER A 528 -43.486 23.046 -7.035 1.00 0.00 H ATOM 2208 N GLN A 529 -40.416 24.049 -7.920 1.00 23.88 N ATOM 2209 CA GLN A 529 -39.136 24.758 -7.937 1.00 17.23 C ATOM 2210 C GLN A 529 -38.030 23.897 -8.519 1.00 22.45 C ATOM 2211 O GLN A 529 -38.051 22.660 -8.356 1.00 22.82 O ATOM 2212 CB GLN A 529 -38.733 25.162 -6.509 1.00 17.20 C ATOM 2213 CG GLN A 529 -39.679 26.216 -5.957 1.00 20.05 C ATOM 2214 CD GLN A 529 -39.510 27.517 -6.695 1.00 20.23 C ATOM 2215 OE1 GLN A 529 -38.379 27.936 -6.911 1.00 21.78 O ATOM 2216 NE2 GLN A 529 -40.603 28.120 -7.144 1.00 22.84 N ATOM 2217 HE22 GLN A 529 -41.540 27.723 -6.932 1.00 0.00 H ATOM 2218 HE21 GLN A 529 -40.522 28.990 -7.708 1.00 0.00 H ATOM 2219 H GLN A 529 -40.788 23.703 -7.013 1.00 0.00 H ATOM 2220 N PRO A 530 -37.036 24.523 -9.170 1.00 24.42 N ATOM 2221 CA PRO A 530 -35.861 23.772 -9.639 1.00 20.78 C ATOM 2222 C PRO A 530 -35.178 23.072 -8.464 1.00 22.32 C ATOM 2223 O PRO A 530 -35.213 23.535 -7.324 1.00 19.74 O ATOM 2224 CB PRO A 530 -34.950 24.855 -10.225 1.00 26.46 C ATOM 2225 CG PRO A 530 -35.842 26.019 -10.521 1.00 28.82 C ATOM 2226 CD PRO A 530 -36.970 25.963 -9.533 1.00 27.97 C ATOM 2227 N ASP A 531 -34.500 21.946 -8.758 1.00 26.55 N ATOM 2228 CA ASP A 531 -33.885 21.147 -7.696 1.00 30.74 C ATOM 2229 C ASP A 531 -32.939 21.953 -6.808 1.00 19.33 C ATOM 2230 O ASP A 531 -32.901 21.746 -5.592 1.00 21.75 O ATOM 2231 CB ASP A 531 -33.114 19.973 -8.307 1.00 29.93 C ATOM 2232 CG ASP A 531 -34.024 18.859 -8.799 1.00 59.98 C ATOM 2233 OD1 ASP A 531 -35.259 19.030 -8.751 1.00 39.65 O ATOM 2234 OD2 ASP A 531 -33.500 17.812 -9.250 1.00 40.88 O ATOM 2235 H ASP A 531 -34.412 21.641 -9.748 1.00 0.00 H ATOM 2236 N LEU A 532 -32.157 22.871 -7.399 1.00 26.00 N ATOM 2237 CA LEU A 532 -31.149 23.585 -6.624 1.00 20.71 C ATOM 2238 C LEU A 532 -31.765 24.587 -5.637 1.00 24.92 C ATOM 2239 O LEU A 532 -31.095 25.020 -4.700 1.00 29.95 O ATOM 2240 CB LEU A 532 -30.171 24.324 -7.547 1.00 27.23 C ATOM 2241 H LEU A 532 -32.271 23.073 -8.413 1.00 0.00 H ATOM 2242 N LEU A 533 -33.037 24.924 -5.797 1.00 20.94 N ATOM 2243 CA LEU A 533 -33.742 25.695 -4.783 1.00 17.10 C ATOM 2244 C LEU A 533 -34.595 24.809 -3.882 1.00 14.79 C ATOM 2245 O LEU A 533 -34.668 25.038 -2.668 1.00 18.49 O ATOM 2246 CB LEU A 533 -34.616 26.743 -5.502 1.00 18.85 C ATOM 2247 CG LEU A 533 -33.811 27.852 -6.203 1.00 18.28 C ATOM 2248 CD1 LEU A 533 -34.738 28.712 -7.071 1.00 22.61 C ATOM 2249 CD2 LEU A 533 -33.132 28.728 -5.115 1.00 19.57 C ATOM 2250 H LEU A 533 -33.539 24.633 -6.660 1.00 0.00 H ATOM 2251 N HIS A 534 -35.253 23.801 -4.472 1.00 18.78 N ATOM 2252 CA HIS A 534 -36.036 22.887 -3.645 1.00 18.64 C ATOM 2253 C HIS A 534 -35.167 22.252 -2.575 1.00 19.58 C ATOM 2254 O HIS A 534 -35.614 22.065 -1.441 1.00 19.05 O ATOM 2255 CB HIS A 534 -36.694 21.812 -4.508 1.00 22.74 C ATOM 2256 CG HIS A 534 -37.717 21.019 -3.762 1.00 26.26 C ATOM 2257 ND1 HIS A 534 -38.207 19.809 -4.208 1.00 38.28 N ATOM 2258 CD2 HIS A 534 -38.270 21.225 -2.541 1.00 37.04 C ATOM 2259 CE1 HIS A 534 -39.055 19.331 -3.314 1.00 28.44 C ATOM 2260 NE2 HIS A 534 -39.117 20.172 -2.298 1.00 34.80 N ATOM 2261 H HIS A 534 -35.207 23.672 -5.503 1.00 0.00 H ATOM 2262 N GLN A 535 -33.889 21.994 -2.888 1.00 22.85 N ATOM 2263 CA GLN A 535 -32.991 21.389 -1.905 1.00 17.40 C ATOM 2264 C GLN A 535 -32.699 22.240 -0.681 1.00 17.55 C ATOM 2265 O GLN A 535 -32.031 21.764 0.246 1.00 20.76 O ATOM 2266 CB GLN A 535 -31.647 21.063 -2.534 1.00 24.19 C ATOM 2267 CG GLN A 535 -31.644 19.893 -3.352 1.00 50.16 C ATOM 2268 CD GLN A 535 -30.249 19.521 -3.746 1.00 30.60 C ATOM 2269 OE1 GLN A 535 -30.014 18.334 -3.991 1.00 16.84 O ATOM 2270 NE2 GLN A 535 -29.302 20.535 -3.841 1.00 27.08 N ATOM 2271 HE22 GLN A 535 -29.567 21.516 -3.620 1.00 0.00 H ATOM 2272 HE21 GLN A 535 -28.329 20.312 -4.133 1.00 0.00 H ATOM 2273 H GLN A 535 -33.533 22.226 -3.837 1.00 0.00 H ATOM 2274 N LEU A 536 -33.117 23.506 -0.666 1.00 18.21 N ATOM 2275 CA LEU A 536 -33.011 24.304 0.537 1.00 21.61 C ATOM 2276 C LEU A 536 -34.064 23.929 1.571 1.00 14.02 C ATOM 2277 O LEU A 536 -33.899 24.281 2.737 1.00 19.56 O ATOM 2278 CB LEU A 536 -33.153 25.800 0.194 1.00 16.90 C ATOM 2279 CG LEU A 536 -32.102 26.259 -0.820 1.00 20.20 C ATOM 2280 CD1 LEU A 536 -32.338 27.729 -1.092 1.00 23.35 C ATOM 2281 CD2 LEU A 536 -30.655 26.036 -0.369 1.00 26.79 C ATOM 2282 H LEU A 536 -33.523 23.924 -1.527 1.00 0.00 H ATOM 2283 N VAL A 537 -35.141 23.247 1.138 1.00 17.95 N ATOM 2284 CA VAL A 537 -36.293 22.966 1.996 1.00 23.48 C ATOM 2285 C VAL A 537 -36.795 21.533 1.834 1.00 21.79 C ATOM 2286 O VAL A 537 -37.972 21.248 2.069 1.00 22.68 O ATOM 2287 CB VAL A 537 -37.436 23.958 1.720 1.00 22.47 C ATOM 2288 CG1 VAL A 537 -37.023 25.360 2.241 1.00 24.49 C ATOM 2289 CG2 VAL A 537 -37.782 23.997 0.253 1.00 25.27 C ATOM 2290 H VAL A 537 -35.155 22.907 0.155 1.00 0.00 H ATOM 2291 N THR A 538 -35.921 20.618 1.472 1.00 20.48 N ATOM 2292 CA THR A 538 -36.319 19.215 1.308 1.00 19.59 C ATOM 2293 C THR A 538 -36.159 18.442 2.625 1.00 20.38 C ATOM 2294 O THR A 538 -35.353 17.532 2.720 1.00 21.62 O ATOM 2295 CB THR A 538 -35.488 18.583 0.198 1.00 17.75 C ATOM 2296 OG1 THR A 538 -34.143 19.064 0.378 1.00 21.57 O ATOM 2297 CG2 THR A 538 -36.029 18.960 -1.156 1.00 22.73 C ATOM 2298 HG1 THR A 538 -33.560 18.680 -0.323 1.00 0.00 H ATOM 2299 H THR A 538 -34.933 20.893 1.300 1.00 0.00 H ATOM 2300 N ILE A 539 -36.859 18.851 3.687 1.00 21.40 N ATOM 2301 CA ILE A 539 -36.804 18.090 4.939 1.00 16.57 C ATOM 2302 C ILE A 539 -37.870 17.008 4.886 1.00 18.07 C ATOM 2303 O ILE A 539 -39.019 17.263 4.507 1.00 22.82 O ATOM 2304 CB ILE A 539 -36.953 19.000 6.180 1.00 25.20 C ATOM 2305 CG1 ILE A 539 -36.854 18.158 7.457 1.00 30.87 C ATOM 2306 CG2 ILE A 539 -38.237 19.710 6.141 1.00 36.18 C ATOM 2307 CD1 ILE A 539 -36.395 18.929 8.726 1.00 46.14 C ATOM 2308 H ILE A 539 -37.443 19.709 3.626 1.00 0.00 H ATOM 2309 N MET A 540 -37.473 15.764 5.196 1.00 18.05 N ATOM 2310 CA MET A 540 -38.429 14.659 5.146 1.00 14.69 C ATOM 2311 C MET A 540 -37.977 13.580 6.111 1.00 16.13 C ATOM 2312 O MET A 540 -36.837 13.129 6.051 1.00 16.10 O ATOM 2313 CB MET A 540 -38.551 14.074 3.743 1.00 17.87 C ATOM 2314 CG MET A 540 -39.511 12.914 3.679 1.00 19.53 C ATOM 2315 SD MET A 540 -39.857 12.434 1.979 1.00 30.05 S ATOM 2316 CE MET A 540 -40.914 13.786 1.472 1.00 26.72 C ATOM 2317 H MET A 540 -36.486 15.586 5.472 1.00 0.00 H ATOM 2318 N ASN A 541 -38.900 13.161 6.974 1.00 16.03 N ATOM 2319 CA ASN A 541 -38.656 12.055 7.899 1.00 17.28 C ATOM 2320 C ASN A 541 -38.230 10.790 7.157 1.00 15.33 C ATOM 2321 O ASN A 541 -38.919 10.346 6.237 1.00 14.89 O ATOM 2322 CB ASN A 541 -39.954 11.853 8.689 1.00 14.70 C ATOM 2323 CG ASN A 541 -39.811 10.840 9.826 1.00 18.14 C ATOM 2324 OD1 ASN A 541 -39.260 9.761 9.649 1.00 18.40 O ATOM 2325 ND2 ASN A 541 -40.315 11.217 11.026 1.00 18.72 N ATOM 2326 HD22 ASN A 541 -40.775 12.144 11.129 1.00 0.00 H ATOM 2327 HD21 ASN A 541 -40.242 10.579 11.844 1.00 0.00 H ATOM 2328 H ASN A 541 -39.825 13.636 6.991 1.00 0.00 H ATOM 2329 N PRO A 542 -37.086 10.193 7.506 1.00 14.71 N ATOM 2330 CA PRO A 542 -36.663 8.957 6.816 1.00 15.65 C ATOM 2331 C PRO A 542 -37.708 7.867 6.799 1.00 20.07 C ATOM 2332 O PRO A 542 -37.724 7.080 5.844 1.00 19.40 O ATOM 2333 CB PRO A 542 -35.414 8.525 7.609 1.00 18.46 C ATOM 2334 CG PRO A 542 -34.905 9.857 8.218 1.00 19.08 C ATOM 2335 CD PRO A 542 -36.106 10.686 8.481 1.00 17.96 C ATOM 2336 N ASN A 543 -38.571 7.781 7.820 1.00 18.22 N ATOM 2337 CA ASN A 543 -39.596 6.737 7.799 1.00 19.14 C ATOM 2338 C ASN A 543 -40.622 6.943 6.692 1.00 19.15 C ATOM 2339 O ASN A 543 -41.196 5.961 6.212 1.00 21.77 O ATOM 2340 CB ASN A 543 -40.319 6.637 9.143 1.00 19.02 C ATOM 2341 CG ASN A 543 -39.441 6.118 10.287 1.00 21.33 C ATOM 2342 OD1 ASN A 543 -39.890 6.133 11.442 1.00 24.02 O ATOM 2343 ND2 ASN A 543 -38.245 5.604 9.997 1.00 20.91 N ATOM 2344 HD22 ASN A 543 -37.901 5.609 9.016 1.00 0.00 H ATOM 2345 HD21 ASN A 543 -37.656 5.198 10.752 1.00 0.00 H ATOM 2346 H ASN A 543 -38.513 8.447 8.617 1.00 0.00 H ATOM 2347 N VAL A 544 -40.913 8.188 6.309 1.00 19.52 N ATOM 2348 CA VAL A 544 -41.776 8.419 5.150 1.00 20.99 C ATOM 2349 C VAL A 544 -41.154 7.821 3.895 1.00 22.96 C ATOM 2350 O VAL A 544 -41.837 7.186 3.088 1.00 21.91 O ATOM 2351 CB VAL A 544 -42.051 9.920 4.964 1.00 24.66 C ATOM 2352 CG1 VAL A 544 -42.787 10.162 3.632 1.00 29.12 C ATOM 2353 CG2 VAL A 544 -42.804 10.478 6.176 1.00 27.48 C ATOM 2354 H VAL A 544 -40.525 8.996 6.836 1.00 0.00 H ATOM 2355 N LEU A 545 -39.861 8.107 3.655 1.00 18.74 N ATOM 2356 CA LEU A 545 -39.178 7.520 2.505 1.00 21.71 C ATOM 2357 C LEU A 545 -39.237 6.004 2.570 1.00 22.49 C ATOM 2358 O LEU A 545 -39.554 5.329 1.578 1.00 20.49 O ATOM 2359 CB LEU A 545 -37.718 8.006 2.469 1.00 19.10 C ATOM 2360 CG LEU A 545 -37.582 9.482 2.129 1.00 21.19 C ATOM 2361 CD1 LEU A 545 -36.173 9.962 2.420 1.00 21.59 C ATOM 2362 CD2 LEU A 545 -37.906 9.642 0.605 1.00 20.19 C ATOM 2363 H LEU A 545 -39.346 8.749 4.291 1.00 0.00 H ATOM 2364 N MET A 546 -38.976 5.447 3.761 1.00 18.97 N ATOM 2365 CA MET A 546 -38.932 4.002 3.907 1.00 19.72 C ATOM 2366 C MET A 546 -40.292 3.380 3.625 1.00 23.57 C ATOM 2367 O MET A 546 -40.368 2.337 2.974 1.00 23.64 O ATOM 2368 CB MET A 546 -38.432 3.623 5.309 1.00 18.73 C ATOM 2369 CG MET A 546 -36.913 3.929 5.460 1.00 19.36 C ATOM 2370 SD MET A 546 -36.474 4.151 7.195 1.00 23.32 S ATOM 2371 CE MET A 546 -36.556 2.493 7.831 1.00 33.52 C ATOM 2372 H MET A 546 -38.804 6.054 4.588 1.00 0.00 H ATOM 2373 N GLU A 547 -41.368 4.033 4.073 1.00 21.61 N ATOM 2374 CA GLU A 547 -42.702 3.508 3.792 1.00 21.34 C ATOM 2375 C GLU A 547 -42.995 3.462 2.303 1.00 40.30 C ATOM 2376 O GLU A 547 -43.771 2.608 1.849 1.00 34.12 O ATOM 2377 CB GLU A 547 -43.758 4.353 4.489 1.00 25.74 C ATOM 2378 CG GLU A 547 -43.810 4.228 5.993 1.00 50.74 C ATOM 2379 CD GLU A 547 -44.475 5.444 6.625 1.00 90.11 C ATOM 2380 OE1 GLU A 547 -44.266 5.678 7.837 1.00 71.30 O ATOM 2381 OE2 GLU A 547 -45.193 6.173 5.896 1.00 71.41 O ATOM 2382 H GLU A 547 -41.256 4.911 4.619 1.00 0.00 H ATOM 2383 N HIS A 548 -42.422 4.387 1.539 1.00 28.12 N ATOM 2384 CA HIS A 548 -42.572 4.417 0.095 1.00 24.31 C ATOM 2385 C HIS A 548 -41.520 3.602 -0.630 1.00 37.22 C ATOM 2386 O HIS A 548 -41.346 3.789 -1.837 1.00 40.25 O ATOM 2387 CB HIS A 548 -42.516 5.839 -0.415 1.00 25.51 C ATOM 2388 CG HIS A 548 -43.754 6.610 -0.139 1.00 30.08 C ATOM 2389 ND1 HIS A 548 -44.066 7.090 1.110 1.00 33.10 N ATOM 2390 CD2 HIS A 548 -44.796 6.932 -0.939 1.00 42.58 C ATOM 2391 CE1 HIS A 548 -45.234 7.704 1.065 1.00 35.17 C ATOM 2392 NE2 HIS A 548 -45.693 7.628 -0.170 1.00 40.06 N ATOM 2393 H HIS A 548 -41.842 5.120 1.995 1.00 0.00 H ATOM 2394 N GLY A 549 -40.803 2.735 0.072 1.00 23.86 N ATOM 2395 CA GLY A 549 -39.931 1.760 -0.560 1.00 30.90 C ATOM 2396 C GLY A 549 -38.537 2.258 -0.857 1.00 26.64 C ATOM 2397 O GLY A 549 -37.785 1.566 -1.551 1.00 30.17 O ATOM 2398 H GLY A 549 -40.867 2.754 1.110 1.00 0.00 H ATOM 2399 N VAL A 550 -38.167 3.426 -0.338 1.00 21.60 N ATOM 2400 CA VAL A 550 -36.843 4.007 -0.581 1.00 17.26 C ATOM 2401 C VAL A 550 -35.873 3.431 0.449 1.00 19.01 C ATOM 2402 O VAL A 550 -36.143 3.506 1.657 1.00 23.38 O ATOM 2403 CB VAL A 550 -36.859 5.552 -0.502 1.00 19.93 C ATOM 2404 CG1 VAL A 550 -35.457 6.058 -0.733 1.00 19.08 C ATOM 2405 CG2 VAL A 550 -37.842 6.177 -1.518 1.00 22.92 C ATOM 2406 H VAL A 550 -38.840 3.945 0.261 1.00 0.00 H ATOM 2407 N PRO A 551 -34.737 2.863 0.045 1.00 17.67 N ATOM 2408 CA PRO A 551 -33.759 2.365 1.040 1.00 15.22 C ATOM 2409 C PRO A 551 -33.086 3.552 1.704 1.00 16.53 C ATOM 2410 O PRO A 551 -32.562 4.447 1.031 1.00 17.34 O ATOM 2411 CB PRO A 551 -32.763 1.543 0.206 1.00 18.18 C ATOM 2412 CG PRO A 551 -32.936 2.060 -1.196 1.00 18.61 C ATOM 2413 CD PRO A 551 -34.349 2.525 -1.339 1.00 20.72 C ATOM 2414 N VAL A 552 -33.043 3.521 3.039 1.00 14.44 N ATOM 2415 CA VAL A 552 -32.369 4.557 3.823 1.00 12.68 C ATOM 2416 C VAL A 552 -31.470 3.871 4.818 1.00 12.50 C ATOM 2417 O VAL A 552 -31.880 2.870 5.442 1.00 14.64 O ATOM 2418 CB VAL A 552 -33.345 5.473 4.598 1.00 13.35 C ATOM 2419 CG1 VAL A 552 -32.562 6.568 5.363 1.00 14.77 C ATOM 2420 CG2 VAL A 552 -34.392 6.105 3.673 1.00 15.41 C ATOM 2421 H VAL A 552 -33.504 2.734 3.538 1.00 0.00 H ATOM 2422 N TYR A 553 -30.232 4.387 4.955 1.00 12.47 N ATOM 2423 CA TYR A 553 -29.286 3.930 5.968 1.00 12.95 C ATOM 2424 C TYR A 553 -28.914 5.068 6.878 1.00 12.92 C ATOM 2425 O TYR A 553 -29.026 6.225 6.505 1.00 13.53 O ATOM 2426 CB TYR A 553 -28.031 3.353 5.299 1.00 12.89 C ATOM 2427 CG TYR A 553 -28.369 2.144 4.467 1.00 10.35 C ATOM 2428 CD1 TYR A 553 -28.745 2.240 3.129 1.00 12.41 C ATOM 2429 CD2 TYR A 553 -28.279 0.903 5.048 1.00 15.09 C ATOM 2430 CE1 TYR A 553 -29.093 1.119 2.398 1.00 15.48 C ATOM 2431 CE2 TYR A 553 -28.595 -0.235 4.315 1.00 16.26 C ATOM 2432 CZ TYR A 553 -28.986 -0.099 3.003 1.00 16.87 C ATOM 2433 OH TYR A 553 -29.290 -1.268 2.321 1.00 24.12 O ATOM 2434 HH TYR A 553 -30.036 -1.731 2.779 1.00 0.00 H ATOM 2435 H TYR A 553 -29.937 5.146 4.308 1.00 0.00 H ATOM 2436 N ARG A 554 -28.535 4.739 8.111 1.00 10.32 N ATOM 2437 CA ARG A 554 -28.206 5.792 9.083 1.00 11.10 C ATOM 2438 C ARG A 554 -26.817 5.544 9.643 1.00 13.17 C ATOM 2439 O ARG A 554 -26.282 4.432 9.568 1.00 12.89 O ATOM 2440 CB ARG A 554 -29.198 5.835 10.262 1.00 13.24 C ATOM 2441 CG ARG A 554 -29.021 4.631 11.259 1.00 14.33 C ATOM 2442 CD ARG A 554 -30.003 4.759 12.473 1.00 14.75 C ATOM 2443 NE ARG A 554 -29.847 6.013 13.260 1.00 15.16 N ATOM 2444 CZ ARG A 554 -28.778 6.333 13.985 1.00 15.04 C ATOM 2445 NH1 ARG A 554 -27.737 5.510 14.096 1.00 14.91 N ATOM 2446 NH2 ARG A 554 -28.770 7.514 14.619 1.00 15.03 N ATOM 2447 HE ARG A 554 -30.635 6.692 13.242 1.00 0.00 H ATOM 2448 HH12 ARG A 554 -26.915 5.786 14.670 1.00 0.00 H ATOM 2449 HH11 ARG A 554 -27.746 4.591 13.609 1.00 0.00 H ATOM 2450 HH22 ARG A 554 -27.948 7.791 15.193 1.00 0.00 H ATOM 2451 HH21 ARG A 554 -29.586 8.154 14.537 1.00 0.00 H ATOM 2452 H ARG A 554 -28.472 3.738 8.386 1.00 0.00 H ATOM 2453 N THR A 555 -26.247 6.567 10.295 1.00 12.35 N ATOM 2454 CA THR A 555 -25.076 6.332 11.153 1.00 14.06 C ATOM 2455 C THR A 555 -24.942 7.483 12.125 1.00 14.22 C ATOM 2456 O THR A 555 -25.456 8.580 11.868 1.00 13.06 O ATOM 2457 CB THR A 555 -23.768 6.171 10.344 1.00 14.54 C ATOM 2458 OG1 THR A 555 -22.791 5.486 11.172 1.00 18.17 O ATOM 2459 CG2 THR A 555 -23.141 7.520 9.980 1.00 15.69 C ATOM 2460 HG1 THR A 555 -23.142 4.596 11.426 1.00 0.00 H ATOM 2461 H THR A 555 -26.633 7.527 10.194 1.00 0.00 H ATOM 2462 N ASN A 556 -24.310 7.229 13.294 1.00 11.64 N ATOM 2463 CA ASN A 556 -23.826 8.318 14.124 1.00 9.38 C ATOM 2464 C ASN A 556 -22.326 8.460 13.882 1.00 14.73 C ATOM 2465 O ASN A 556 -21.535 7.565 14.255 1.00 16.35 O ATOM 2466 CB ASN A 556 -24.051 8.015 15.614 1.00 10.97 C ATOM 2467 CG ASN A 556 -25.512 7.829 15.958 1.00 14.30 C ATOM 2468 OD1 ASN A 556 -26.345 8.588 15.525 1.00 14.63 O ATOM 2469 ND2 ASN A 556 -25.826 6.770 16.731 1.00 16.86 N ATOM 2470 HD22 ASN A 556 -25.075 6.142 17.082 1.00 0.00 H ATOM 2471 HD21 ASN A 556 -26.819 6.581 16.976 1.00 0.00 H ATOM 2472 H ASN A 556 -24.170 6.245 13.601 1.00 0.00 H ATOM 2473 N GLN A 557 -21.930 9.581 13.330 1.00 13.16 N ATOM 2474 CA GLN A 557 -20.517 9.873 13.140 1.00 11.52 C ATOM 2475 C GLN A 557 -19.947 10.480 14.409 1.00 13.02 C ATOM 2476 O GLN A 557 -20.419 11.537 14.834 1.00 13.23 O ATOM 2477 CB GLN A 557 -20.383 10.845 11.966 1.00 14.06 C ATOM 2478 CG GLN A 557 -18.944 11.325 11.710 1.00 13.71 C ATOM 2479 CD GLN A 557 -18.941 12.494 10.731 1.00 12.21 C ATOM 2480 OE1 GLN A 557 -19.955 13.233 10.620 1.00 11.46 O ATOM 2481 NE2 GLN A 557 -17.818 12.709 10.039 1.00 11.10 N ATOM 2482 HE22 GLN A 557 -17.003 12.074 10.160 1.00 0.00 H ATOM 2483 HE21 GLN A 557 -17.759 13.511 9.379 1.00 0.00 H ATOM 2484 H GLN A 557 -22.640 10.276 13.022 1.00 0.00 H ATOM 2485 N CYS A 558 -18.919 9.853 15.002 1.00 14.98 N ATOM 2486 CA CYS A 558 -18.353 10.340 16.246 1.00 14.57 C ATOM 2487 C CYS A 558 -17.063 11.082 15.944 1.00 15.00 C ATOM 2488 O CYS A 558 -16.538 11.052 14.819 1.00 14.76 O ATOM 2489 CB CYS A 558 -18.078 9.167 17.191 1.00 17.96 C ATOM 2490 SG CYS A 558 -19.641 8.375 17.680 1.00 23.39 S ATOM 2491 H CYS A 558 -18.520 9.000 14.560 1.00 0.00 H ATOM 2492 N ALA A 559 -16.593 11.820 16.940 1.00 15.99 N ATOM 2493 CA ALA A 559 -15.386 12.604 16.763 1.00 15.56 C ATOM 2494 C ALA A 559 -14.252 11.733 16.247 1.00 16.83 C ATOM 2495 O ALA A 559 -14.035 10.599 16.713 1.00 19.57 O ATOM 2496 CB ALA A 559 -14.980 13.267 18.109 1.00 18.40 C ATOM 2497 H ALA A 559 -17.092 11.837 17.852 1.00 0.00 H ATOM 2498 N GLY A 560 -13.535 12.278 15.268 1.00 15.97 N ATOM 2499 CA GLY A 560 -12.431 11.576 14.656 1.00 18.49 C ATOM 2500 C GLY A 560 -12.791 10.592 13.562 1.00 16.98 C ATOM 2501 O GLY A 560 -11.880 9.913 13.060 1.00 17.01 O ATOM 2502 H GLY A 560 -13.775 13.233 14.935 1.00 0.00 H ATOM 2503 N GLU A 561 -14.073 10.488 13.171 1.00 12.92 N ATOM 2504 CA GLU A 561 -14.521 9.584 12.108 1.00 13.31 C ATOM 2505 C GLU A 561 -14.889 10.367 10.851 1.00 12.93 C ATOM 2506 O GLU A 561 -15.333 11.523 10.929 1.00 14.13 O ATOM 2507 CB GLU A 561 -15.743 8.747 12.544 1.00 12.12 C ATOM 2508 CG GLU A 561 -15.376 7.899 13.766 1.00 14.47 C ATOM 2509 CD GLU A 561 -16.493 7.121 14.409 1.00 26.91 C ATOM 2510 OE1 GLU A 561 -16.148 6.219 15.245 1.00 23.93 O ATOM 2511 OE2 GLU A 561 -17.691 7.417 14.157 1.00 18.79 O ATOM 2512 H GLU A 561 -14.783 11.080 13.647 1.00 0.00 H ATOM 2513 N PHE A 562 -14.698 9.715 9.692 1.00 11.30 N ATOM 2514 CA PHE A 562 -15.056 10.248 8.379 1.00 10.39 C ATOM 2515 C PHE A 562 -16.397 9.684 7.929 1.00 12.49 C ATOM 2516 O PHE A 562 -16.702 8.505 8.148 1.00 12.75 O ATOM 2517 CB PHE A 562 -14.020 9.882 7.319 1.00 13.43 C ATOM 2518 CG PHE A 562 -12.678 10.577 7.468 1.00 13.68 C ATOM 2519 CD1 PHE A 562 -12.474 11.804 6.854 1.00 15.08 C ATOM 2520 CD2 PHE A 562 -11.633 9.991 8.185 1.00 13.09 C ATOM 2521 CE1 PHE A 562 -11.240 12.452 6.945 1.00 15.77 C ATOM 2522 CE2 PHE A 562 -10.392 10.609 8.294 1.00 16.26 C ATOM 2523 CZ PHE A 562 -10.198 11.849 7.673 1.00 16.88 C ATOM 2524 H PHE A 562 -14.267 8.769 9.732 1.00 0.00 H ATOM 2525 N VAL A 563 -17.148 10.489 7.180 1.00 9.92 N ATOM 2526 CA VAL A 563 -18.286 9.977 6.418 1.00 11.00 C ATOM 2527 C VAL A 563 -18.062 10.319 4.956 1.00 10.16 C ATOM 2528 O VAL A 563 -17.688 11.451 4.633 1.00 10.85 O ATOM 2529 CB VAL A 563 -19.636 10.545 6.916 1.00 11.76 C ATOM 2530 CG1 VAL A 563 -20.767 10.265 5.928 1.00 13.62 C ATOM 2531 CG2 VAL A 563 -20.033 9.907 8.223 1.00 12.83 C ATOM 2532 H VAL A 563 -16.920 11.503 7.136 1.00 0.00 H ATOM 2533 N VAL A 564 -18.158 9.316 4.090 1.00 9.54 N ATOM 2534 CA VAL A 564 -18.061 9.524 2.631 1.00 9.57 C ATOM 2535 C VAL A 564 -19.434 9.366 2.049 1.00 12.16 C ATOM 2536 O VAL A 564 -20.140 8.400 2.368 1.00 11.68 O ATOM 2537 CB VAL A 564 -17.072 8.568 1.953 1.00 11.12 C ATOM 2538 CG1 VAL A 564 -17.110 8.707 0.377 1.00 12.88 C ATOM 2539 CG2 VAL A 564 -15.663 8.917 2.472 1.00 16.13 C ATOM 2540 H VAL A 564 -18.306 8.352 4.452 1.00 0.00 H ATOM 2541 N THR A 565 -19.813 10.302 1.170 1.00 10.69 N ATOM 2542 CA THR A 565 -21.042 10.171 0.400 1.00 11.68 C ATOM 2543 C THR A 565 -20.670 9.902 -1.068 1.00 10.70 C ATOM 2544 O THR A 565 -19.765 10.528 -1.629 1.00 11.80 O ATOM 2545 CB THR A 565 -21.933 11.424 0.537 1.00 11.27 C ATOM 2546 OG1 THR A 565 -21.318 12.542 -0.100 1.00 13.67 O ATOM 2547 CG2 THR A 565 -22.183 11.773 1.991 1.00 14.57 C ATOM 2548 HG1 THR A 565 -21.187 12.342 -1.061 1.00 0.00 H ATOM 2549 H THR A 565 -19.216 11.142 1.034 1.00 0.00 H ATOM 2550 N PHE A 566 -21.360 8.959 -1.662 1.00 10.43 N ATOM 2551 CA PHE A 566 -21.055 8.519 -3.029 1.00 10.26 C ATOM 2552 C PHE A 566 -21.836 9.358 -4.045 1.00 10.34 C ATOM 2553 O PHE A 566 -22.738 10.121 -3.688 1.00 12.29 O ATOM 2554 CB PHE A 566 -21.321 7.002 -3.129 1.00 11.70 C ATOM 2555 CG PHE A 566 -20.138 6.177 -2.633 1.00 13.64 C ATOM 2556 CD1 PHE A 566 -19.842 6.128 -1.246 1.00 19.63 C ATOM 2557 CD2 PHE A 566 -19.322 5.526 -3.543 1.00 20.85 C ATOM 2558 CE1 PHE A 566 -18.707 5.418 -0.814 1.00 23.23 C ATOM 2559 CE2 PHE A 566 -18.188 4.830 -3.092 1.00 22.24 C ATOM 2560 CZ PHE A 566 -17.907 4.809 -1.779 1.00 20.08 C ATOM 2561 H PHE A 566 -22.146 8.510 -1.150 1.00 0.00 H ATOM 2562 N PRO A 567 -21.482 9.290 -5.338 1.00 11.13 N ATOM 2563 CA PRO A 567 -22.099 10.179 -6.332 1.00 10.62 C ATOM 2564 C PRO A 567 -23.596 9.985 -6.380 1.00 10.81 C ATOM 2565 O PRO A 567 -24.078 8.845 -6.483 1.00 11.34 O ATOM 2566 CB PRO A 567 -21.447 9.732 -7.644 1.00 14.44 C ATOM 2567 CG PRO A 567 -20.089 9.311 -7.226 1.00 14.51 C ATOM 2568 CD PRO A 567 -20.297 8.588 -5.885 1.00 12.62 C ATOM 2569 N ARG A 568 -24.328 11.099 -6.306 1.00 10.26 N ATOM 2570 CA ARG A 568 -25.791 11.101 -6.411 1.00 9.43 C ATOM 2571 C ARG A 568 -26.444 10.314 -5.272 1.00 11.22 C ATOM 2572 O ARG A 568 -27.579 9.867 -5.408 1.00 10.02 O ATOM 2573 CB ARG A 568 -26.274 10.560 -7.790 1.00 10.21 C ATOM 2574 CG ARG A 568 -27.621 11.192 -8.213 1.00 12.60 C ATOM 2575 CD ARG A 568 -28.245 10.353 -9.324 1.00 13.91 C ATOM 2576 NE ARG A 568 -29.507 10.941 -9.733 1.00 15.65 N ATOM 2577 CZ ARG A 568 -30.288 10.375 -10.653 1.00 16.80 C ATOM 2578 NH1 ARG A 568 -29.943 9.226 -11.200 1.00 23.03 N ATOM 2579 NH2 ARG A 568 -31.419 10.980 -10.990 1.00 25.84 N ATOM 2580 HE ARG A 568 -29.812 11.833 -9.294 1.00 0.00 H ATOM 2581 HH12 ARG A 568 -30.555 8.787 -11.918 1.00 0.00 H ATOM 2582 HH11 ARG A 568 -29.059 8.758 -10.914 1.00 0.00 H ATOM 2583 HH22 ARG A 568 -32.043 10.555 -11.706 1.00 0.00 H ATOM 2584 HH21 ARG A 568 -31.682 11.879 -10.539 1.00 0.00 H ATOM 2585 H ARG A 568 -23.839 12.006 -6.168 1.00 0.00 H ATOM 2586 N ALA A 569 -25.774 10.200 -4.138 1.00 10.40 N ATOM 2587 CA ALA A 569 -26.373 9.607 -2.933 1.00 9.60 C ATOM 2588 C ALA A 569 -26.999 10.712 -2.103 1.00 8.91 C ATOM 2589 O ALA A 569 -26.287 11.562 -1.550 1.00 11.43 O ATOM 2590 CB ALA A 569 -25.297 8.886 -2.127 1.00 12.73 C ATOM 2591 H ALA A 569 -24.792 10.541 -4.097 1.00 0.00 H ATOM 2592 N TYR A 570 -28.331 10.724 -2.006 1.00 9.87 N ATOM 2593 CA TYR A 570 -28.987 11.773 -1.214 1.00 9.70 C ATOM 2594 C TYR A 570 -28.645 11.571 0.257 1.00 9.93 C ATOM 2595 O TYR A 570 -28.533 10.443 0.715 1.00 10.58 O ATOM 2596 CB TYR A 570 -30.534 11.749 -1.380 1.00 11.35 C ATOM 2597 CG TYR A 570 -31.041 12.541 -2.545 1.00 8.81 C ATOM 2598 CD1 TYR A 570 -31.273 13.892 -2.421 1.00 10.60 C ATOM 2599 CD2 TYR A 570 -31.247 11.901 -3.772 1.00 10.84 C ATOM 2600 CE1 TYR A 570 -31.705 14.638 -3.498 1.00 12.66 C ATOM 2601 CE2 TYR A 570 -31.688 12.692 -4.903 1.00 12.76 C ATOM 2602 CZ TYR A 570 -31.892 14.036 -4.707 1.00 14.20 C ATOM 2603 OH TYR A 570 -32.355 14.794 -5.805 1.00 17.73 O ATOM 2604 HH TYR A 570 -33.229 14.438 -6.105 1.00 0.00 H ATOM 2605 H TYR A 570 -28.899 9.997 -2.487 1.00 0.00 H ATOM 2606 N HIS A 571 -28.442 12.683 0.970 1.00 8.09 N ATOM 2607 CA HIS A 571 -28.148 12.563 2.400 1.00 8.46 C ATOM 2608 C HIS A 571 -28.730 13.755 3.155 1.00 9.32 C ATOM 2609 O HIS A 571 -28.970 14.827 2.598 1.00 9.62 O ATOM 2610 CB HIS A 571 -26.627 12.386 2.654 1.00 9.44 C ATOM 2611 CG HIS A 571 -25.757 13.420 2.028 1.00 8.13 C ATOM 2612 ND1 HIS A 571 -25.500 13.417 0.657 1.00 8.67 N ATOM 2613 CD2 HIS A 571 -25.173 14.537 2.529 1.00 10.26 C ATOM 2614 CE1 HIS A 571 -24.728 14.462 0.374 1.00 11.96 C ATOM 2615 NE2 HIS A 571 -24.505 15.153 1.492 1.00 13.28 N ATOM 2616 H HIS A 571 -28.492 13.618 0.517 1.00 0.00 H ATOM 2617 N SER A 572 -28.913 13.524 4.456 1.00 8.15 N ATOM 2618 CA SER A 572 -29.448 14.541 5.367 1.00 7.70 C ATOM 2619 C SER A 572 -29.005 14.147 6.764 1.00 9.22 C ATOM 2620 O SER A 572 -28.457 13.075 6.981 1.00 10.85 O ATOM 2621 CB SER A 572 -30.974 14.641 5.319 1.00 6.84 C ATOM 2622 OG SER A 572 -31.565 13.439 5.785 1.00 9.05 O ATOM 2623 HG SER A 572 -32.551 13.521 5.747 1.00 0.00 H ATOM 2624 H SER A 572 -28.667 12.588 4.838 1.00 0.00 H ATOM 2625 N GLY A 573 -29.187 15.057 7.718 1.00 10.07 N ATOM 2626 CA GLY A 573 -28.782 14.650 9.067 1.00 8.54 C ATOM 2627 C GLY A 573 -29.004 15.756 10.067 1.00 9.68 C ATOM 2628 O GLY A 573 -29.583 16.797 9.783 1.00 10.38 O ATOM 2629 H GLY A 573 -29.590 15.995 7.520 1.00 0.00 H ATOM 2630 N PHE A 574 -28.587 15.490 11.303 1.00 7.71 N ATOM 2631 CA PHE A 574 -28.653 16.535 12.339 1.00 11.02 C ATOM 2632 C PHE A 574 -27.565 16.274 13.362 1.00 9.62 C ATOM 2633 O PHE A 574 -27.017 15.171 13.466 1.00 10.86 O ATOM 2634 CB PHE A 574 -30.056 16.546 13.014 1.00 10.14 C ATOM 2635 CG PHE A 574 -30.305 15.288 13.823 1.00 10.47 C ATOM 2636 CD1 PHE A 574 -29.923 15.232 15.150 1.00 13.43 C ATOM 2637 CD2 PHE A 574 -30.906 14.157 13.219 1.00 11.80 C ATOM 2638 CE1 PHE A 574 -30.100 14.045 15.876 1.00 14.88 C ATOM 2639 CE2 PHE A 574 -31.103 12.959 13.984 1.00 13.25 C ATOM 2640 CZ PHE A 574 -30.682 12.905 15.265 1.00 14.06 C ATOM 2641 H PHE A 574 -28.216 14.547 11.536 1.00 0.00 H ATOM 2642 N ASN A 575 -27.286 17.289 14.185 1.00 9.27 N ATOM 2643 CA ASN A 575 -26.232 17.173 15.195 1.00 9.02 C ATOM 2644 C ASN A 575 -26.807 16.850 16.568 1.00 9.64 C ATOM 2645 O ASN A 575 -27.887 17.327 16.950 1.00 11.00 O ATOM 2646 CB ASN A 575 -25.446 18.489 15.262 1.00 10.78 C ATOM 2647 CG ASN A 575 -24.714 18.733 13.974 1.00 10.71 C ATOM 2648 OD1 ASN A 575 -23.915 17.891 13.593 1.00 9.98 O ATOM 2649 ND2 ASN A 575 -24.999 19.862 13.295 1.00 12.71 N ATOM 2650 HD22 ASN A 575 -25.691 20.538 13.677 1.00 0.00 H ATOM 2651 HD21 ASN A 575 -24.527 20.057 12.389 1.00 0.00 H ATOM 2652 H ASN A 575 -27.825 18.175 14.107 1.00 0.00 H ATOM 2653 N GLN A 576 -26.148 15.908 17.269 1.00 9.48 N ATOM 2654 CA GLN A 576 -26.577 15.530 18.613 1.00 10.15 C ATOM 2655 C GLN A 576 -26.275 16.568 19.671 1.00 16.41 C ATOM 2656 O GLN A 576 -26.907 16.519 20.731 1.00 18.10 O ATOM 2657 CB GLN A 576 -25.879 14.250 19.000 1.00 10.93 C ATOM 2658 CG GLN A 576 -26.288 12.992 18.199 1.00 15.45 C ATOM 2659 CD GLN A 576 -27.550 12.314 18.761 1.00 14.24 C ATOM 2660 OE1 GLN A 576 -27.840 12.427 19.964 1.00 14.53 O ATOM 2661 NE2 GLN A 576 -28.281 11.619 17.904 1.00 13.47 N ATOM 2662 HE22 GLN A 576 -27.993 11.556 16.907 1.00 0.00 H ATOM 2663 HE21 GLN A 576 -29.143 11.136 18.228 1.00 0.00 H ATOM 2664 H GLN A 576 -25.320 15.442 16.846 1.00 0.00 H ATOM 2665 N GLY A 577 -25.332 17.472 19.405 1.00 13.06 N ATOM 2666 CA GLY A 577 -24.878 18.449 20.382 1.00 11.45 C ATOM 2667 C GLY A 577 -23.755 19.274 19.765 1.00 10.25 C ATOM 2668 O GLY A 577 -23.534 19.250 18.548 1.00 12.69 O ATOM 2669 H GLY A 577 -24.902 17.479 18.458 1.00 0.00 H ATOM 2670 N TYR A 578 -23.047 20.002 20.624 1.00 13.89 N ATOM 2671 CA TYR A 578 -21.983 20.908 20.209 1.00 12.44 C ATOM 2672 C TYR A 578 -20.866 20.154 19.516 1.00 12.36 C ATOM 2673 O TYR A 578 -20.321 19.213 20.085 1.00 13.64 O ATOM 2674 CB TYR A 578 -21.448 21.587 21.462 1.00 12.78 C ATOM 2675 CG TYR A 578 -20.293 22.561 21.262 1.00 13.13 C ATOM 2676 CD1 TYR A 578 -20.309 23.540 20.269 1.00 18.07 C ATOM 2677 CD2 TYR A 578 -19.193 22.519 22.114 1.00 16.27 C ATOM 2678 CE1 TYR A 578 -19.256 24.439 20.159 1.00 16.09 C ATOM 2679 CE2 TYR A 578 -18.137 23.415 21.996 1.00 19.14 C ATOM 2680 CZ TYR A 578 -18.178 24.374 21.026 1.00 20.88 C ATOM 2681 OH TYR A 578 -17.090 25.251 20.934 1.00 20.73 O ATOM 2682 HH TYR A 578 -17.246 25.892 20.195 1.00 0.00 H ATOM 2683 H TYR A 578 -23.262 19.921 21.638 1.00 0.00 H ATOM 2684 N ASN A 579 -20.570 20.505 18.266 1.00 12.51 N ATOM 2685 CA ASN A 579 -19.534 19.762 17.559 1.00 10.75 C ATOM 2686 C ASN A 579 -18.968 20.638 16.444 1.00 12.77 C ATOM 2687 O ASN A 579 -19.397 21.778 16.223 1.00 12.01 O ATOM 2688 CB ASN A 579 -20.051 18.396 17.010 1.00 12.41 C ATOM 2689 CG ASN A 579 -21.210 18.514 15.981 1.00 12.80 C ATOM 2690 OD1 ASN A 579 -21.484 19.588 15.413 1.00 12.41 O ATOM 2691 ND2 ASN A 579 -21.850 17.375 15.703 1.00 10.94 N ATOM 2692 HD22 ASN A 579 -21.591 16.499 16.200 1.00 0.00 H ATOM 2693 HD21 ASN A 579 -22.607 17.365 14.990 1.00 0.00 H ATOM 2694 H ASN A 579 -21.068 21.293 17.804 1.00 0.00 H ATOM 2695 N PHE A 580 -17.969 20.095 15.750 1.00 12.38 N ATOM 2696 CA PHE A 580 -17.254 20.872 14.732 1.00 13.00 C ATOM 2697 C PHE A 580 -16.879 19.938 13.598 1.00 12.55 C ATOM 2698 O PHE A 580 -16.092 19.006 13.831 1.00 13.93 O ATOM 2699 CB PHE A 580 -15.995 21.488 15.346 1.00 14.08 C ATOM 2700 CG PHE A 580 -15.344 22.515 14.480 1.00 16.99 C ATOM 2701 CD1 PHE A 580 -14.548 22.133 13.417 1.00 17.10 C ATOM 2702 CD2 PHE A 580 -15.498 23.870 14.749 1.00 20.08 C ATOM 2703 CE1 PHE A 580 -13.979 23.104 12.574 1.00 18.93 C ATOM 2704 CE2 PHE A 580 -14.889 24.830 13.953 1.00 19.56 C ATOM 2705 CZ PHE A 580 -14.119 24.452 12.890 1.00 20.59 C ATOM 2706 H PHE A 580 -17.693 19.109 15.932 1.00 0.00 H ATOM 2707 N ALA A 581 -17.399 20.193 12.390 1.00 10.21 N ATOM 2708 CA ALA A 581 -17.194 19.318 11.243 1.00 10.45 C ATOM 2709 C ALA A 581 -16.573 20.106 10.084 1.00 13.10 C ATOM 2710 O ALA A 581 -16.706 21.332 9.997 1.00 13.68 O ATOM 2711 CB ALA A 581 -18.537 18.690 10.808 1.00 12.37 C ATOM 2712 H ALA A 581 -17.973 21.051 12.266 1.00 0.00 H ATOM 2713 N GLU A 582 -15.894 19.364 9.170 1.00 14.19 N ATOM 2714 CA GLU A 582 -15.295 19.965 7.978 1.00 13.22 C ATOM 2715 C GLU A 582 -15.648 19.043 6.825 1.00 15.31 C ATOM 2716 O GLU A 582 -15.637 17.810 6.986 1.00 12.58 O ATOM 2717 CB GLU A 582 -13.780 20.123 8.211 1.00 13.96 C ATOM 2718 CG GLU A 582 -13.013 20.669 7.057 1.00 15.75 C ATOM 2719 CD GLU A 582 -11.697 21.275 7.471 1.00 18.12 C ATOM 2720 OE1 GLU A 582 -11.279 21.142 8.653 1.00 20.21 O ATOM 2721 OE2 GLU A 582 -11.075 21.910 6.579 1.00 23.39 O ATOM 2722 H GLU A 582 -15.797 18.340 9.322 1.00 0.00 H ATOM 2723 N ALA A 583 -16.002 19.640 5.687 1.00 12.27 N ATOM 2724 CA ALA A 583 -16.463 18.838 4.552 1.00 11.25 C ATOM 2725 C ALA A 583 -15.925 19.395 3.240 1.00 15.19 C ATOM 2726 O ALA A 583 -15.718 20.604 3.084 1.00 14.97 O ATOM 2727 CB ALA A 583 -17.994 18.795 4.480 1.00 17.18 C ATOM 2728 H ALA A 583 -15.951 20.676 5.605 1.00 0.00 H ATOM 2729 N VAL A 584 -15.730 18.510 2.263 1.00 12.92 N ATOM 2730 CA VAL A 584 -15.341 18.982 0.918 1.00 13.67 C ATOM 2731 C VAL A 584 -15.849 17.998 -0.110 1.00 13.30 C ATOM 2732 O VAL A 584 -15.927 16.805 0.142 1.00 13.36 O ATOM 2733 CB VAL A 584 -13.788 19.197 0.836 1.00 12.49 C ATOM 2734 CG1 VAL A 584 -13.001 17.916 0.759 1.00 17.93 C ATOM 2735 CG2 VAL A 584 -13.411 20.176 -0.333 1.00 14.61 C ATOM 2736 H VAL A 584 -15.851 17.493 2.446 1.00 0.00 H ATOM 2737 N ASN A 585 -16.176 18.511 -1.309 1.00 12.67 N ATOM 2738 CA ASN A 585 -16.469 17.632 -2.446 1.00 12.33 C ATOM 2739 C ASN A 585 -15.160 17.233 -3.106 1.00 15.59 C ATOM 2740 O ASN A 585 -14.254 18.054 -3.208 1.00 20.60 O ATOM 2741 CB ASN A 585 -17.344 18.378 -3.449 1.00 11.16 C ATOM 2742 CG ASN A 585 -18.805 18.563 -2.965 1.00 16.98 C ATOM 2743 OD1 ASN A 585 -19.189 18.014 -1.929 1.00 33.43 O ATOM 2744 ND2 ASN A 585 -19.578 19.265 -3.693 1.00 36.04 N ATOM 2745 HD22 ASN A 585 -19.214 19.711 -4.559 1.00 0.00 H ATOM 2746 HD21 ASN A 585 -20.574 19.393 -3.422 1.00 0.00 H ATOM 2747 H ASN A 585 -16.222 19.543 -1.432 1.00 0.00 H ATOM 2748 N PHE A 586 -15.044 15.975 -3.563 1.00 13.13 N ATOM 2749 CA PHE A 586 -13.788 15.558 -4.178 1.00 14.04 C ATOM 2750 C PHE A 586 -14.094 14.795 -5.448 1.00 16.95 C ATOM 2751 O PHE A 586 -15.231 14.339 -5.663 1.00 16.40 O ATOM 2752 CB PHE A 586 -12.906 14.722 -3.237 1.00 16.93 C ATOM 2753 CG PHE A 586 -13.455 13.377 -2.883 1.00 19.63 C ATOM 2754 CD1 PHE A 586 -14.287 13.223 -1.761 1.00 17.84 C ATOM 2755 CD2 PHE A 586 -13.086 12.251 -3.619 1.00 16.57 C ATOM 2756 CE1 PHE A 586 -14.768 11.943 -1.407 1.00 14.06 C ATOM 2757 CE2 PHE A 586 -13.558 10.965 -3.267 1.00 16.31 C ATOM 2758 CZ PHE A 586 -14.407 10.815 -2.153 1.00 17.76 C ATOM 2759 H PHE A 586 -15.838 15.308 -3.480 1.00 0.00 H ATOM 2760 N CYS A 587 -13.049 14.670 -6.297 1.00 17.40 N ATOM 2761 CA CYS A 587 -13.107 14.080 -7.641 1.00 19.36 C ATOM 2762 C CYS A 587 -12.235 12.828 -7.659 1.00 22.01 C ATOM 2763 O CYS A 587 -11.187 12.783 -6.997 1.00 29.75 O ATOM 2764 CB CYS A 587 -12.616 15.089 -8.723 1.00 25.02 C ATOM 2765 SG CYS A 587 -13.802 16.371 -9.099 1.00 93.22 S ATOM 2766 H CYS A 587 -12.126 15.021 -5.971 1.00 0.00 H ATOM 2767 N THR A 588 -12.653 11.807 -8.429 1.00 28.63 N ATOM 2768 CA THR A 588 -11.896 10.547 -8.514 1.00 41.08 C ATOM 2769 C THR A 588 -11.295 10.386 -9.905 1.00 49.37 C ATOM 2770 O THR A 588 -11.908 10.800 -10.887 1.00 45.26 O ATOM 2771 CB THR A 588 -12.775 9.296 -8.210 1.00 37.38 C ATOM 2772 OG1 THR A 588 -13.773 9.161 -9.229 1.00 55.72 O ATOM 2773 CG2 THR A 588 -13.458 9.438 -6.857 1.00 25.16 C ATOM 2774 HG1 THR A 588 -14.341 9.971 -9.242 1.00 0.00 H ATOM 2775 H THR A 588 -13.531 11.910 -8.977 1.00 0.00 H TER 2776 THR A 588 HETATM 2777 MN MN A 1 -23.584 17.238 1.388 1.00 12.08 MN HETATM 2778 O HOH 2 -43.272 26.929 -6.843 1.00 28.43 O HETATM 2779 O HOH 3 -13.280 31.331 19.112 1.00 37.44 O HETATM 2780 O HOH 4 -3.398 3.174 15.537 1.00 51.94 O HETATM 2781 O HOH 5 -28.039 38.628 13.880 1.00 47.07 O HETATM 2782 O HOH 6 -29.103 1.696 15.030 1.00 44.35 O HETATM 2783 O HOH 7 -0.330 11.746 16.279 1.00 44.52 O HETATM 2784 O HOH 8 -6.118 9.508 -2.445 1.00 35.03 O HETATM 2785 O HOH 9 -46.361 17.927 -3.940 1.00 43.40 O HETATM 2786 O HOH 10 -1.297 22.194 13.769 1.00 38.50 O HETATM 2787 O HOH 11 -25.411 9.915 24.630 1.00 35.07 O HETATM 2788 O HOH 12 -28.149 19.869 -13.566 1.00 31.06 O HETATM 2789 O HOH 13 -4.760 28.722 6.380 1.00 45.04 O HETATM 2790 O HOH 14 -38.915 29.771 7.810 1.00 37.62 O HETATM 2791 O HOH 15 -24.246 19.975 23.431 1.00 15.72 O HETATM 2792 O HOH 16 -17.631 32.174 6.042 1.00 39.01 O HETATM 2793 O HOH 17 -1.140 9.382 17.757 1.00 47.10 O HETATM 2794 O HOH 18 -34.304 0.123 13.716 1.00 38.10 O HETATM 2795 O HOH 19 -43.415 26.103 21.186 1.00 52.28 O HETATM 2796 O HOH 20 -25.007 6.074 20.211 1.00 37.86 O HETATM 2797 O HOH 21 -2.175 9.783 6.448 1.00 38.36 O HETATM 2798 O HOH 22 -43.558 27.566 13.429 1.00 55.86 O HETATM 2799 O HOH 23 -9.192 19.576 -0.983 1.00 26.05 O HETATM 2800 O HOH 24 -16.746 13.456 -7.594 1.00 18.50 O HETATM 2801 O HOH 25 -13.800 6.040 16.367 1.00 43.05 O HETATM 2802 O HOH 26 -5.449 2.560 0.295 1.00 47.94 O HETATM 2803 O HOH 27 -37.956 20.127 -7.687 1.00 38.33 O HETATM 2804 O HOH 28 -1.498 27.358 8.517 1.00 41.15 O HETATM 2805 O HOH 29 -21.109 20.816 2.382 1.00 33.95 O HETATM 2806 O HOH 30 -20.712 37.533 12.846 1.00 37.54 O HETATM 2807 O HOH 31 -21.530 2.660 13.732 1.00 53.43 O HETATM 2808 O HOH 32 -30.324 1.024 13.155 1.00 26.79 O HETATM 2809 O HOH 33 -22.762 19.224 0.821 1.00 14.16 O HETATM 2810 O HOH 34 -40.873 22.265 16.534 1.00 23.88 O HETATM 2811 O HOH 35 -39.323 3.725 -3.986 1.00 42.24 O HETATM 2812 O HOH 36 -32.935 20.152 7.932 1.00 32.71 O HETATM 2813 O HOH 37 -25.403 32.609 9.218 1.00 30.59 O HETATM 2814 O HOH 38 -24.758 36.175 25.081 1.00 42.44 O HETATM 2815 O HOH 39 -16.053 17.524 -7.213 1.00 39.93 O HETATM 2816 O HOH 40 -22.329 20.441 -3.565 1.00 20.90 O HETATM 2817 O HOH 41 -23.638 -1.277 -7.119 1.00 29.23 O HETATM 2818 O HOH 42 -21.548 16.559 1.825 1.00 16.09 O HETATM 2819 O HOH 43 -22.053 12.553 -2.703 1.00 15.45 O HETATM 2820 O HOH 44 -29.133 -1.075 -1.440 1.00 41.92 O HETATM 2821 O HOH 45 -1.163 14.186 0.508 1.00 50.46 O HETATM 2822 O HOH 46 -18.482 12.187 19.151 1.00 18.65 O HETATM 2823 O HOH 47 -32.451 22.165 12.519 1.00 14.95 O HETATM 2824 O HOH 48 -12.341 29.150 8.972 1.00 27.71 O HETATM 2825 O HOH 49 -35.666 28.017 9.488 1.00 29.40 O HETATM 2826 O HOH 50 -24.078 4.542 14.234 1.00 21.28 O HETATM 2827 O HOH 51 -6.694 1.142 15.378 1.00 49.23 O HETATM 2828 O HOH 52 -40.055 20.273 0.666 1.00 34.38 O HETATM 2829 O HOH 53 -44.816 15.543 15.898 1.00 33.81 O HETATM 2830 O HOH 54 -23.209 2.824 10.976 1.00 17.39 O HETATM 2831 O HOH 55 -12.288 37.645 14.388 1.00 49.81 O HETATM 2832 O HOH 56 -23.232 6.294 -6.153 1.00 14.38 O HETATM 2833 O HOH 57 -21.145 18.957 24.628 1.00 25.49 O HETATM 2834 O HOH 58 -40.974 14.186 11.275 1.00 25.96 O HETATM 2835 O HOH 59 -20.845 5.133 -7.115 1.00 34.30 O HETATM 2836 O HOH 60 -6.391 25.415 17.146 1.00 35.69 O HETATM 2837 O HOH 61 -22.729 -1.102 10.218 1.00 19.01 O HETATM 2838 O HOH 62 -33.722 1.076 4.568 1.00 23.96 O HETATM 2839 O HOH 63 1.538 26.566 8.102 1.00 36.55 O HETATM 2840 O HOH 64 -35.158 0.007 10.231 1.00 34.26 O HETATM 2841 O HOH 65 -28.368 5.967 17.941 1.00 20.64 O HETATM 2842 O HOH 66 -8.750 1.006 -5.441 1.00 39.92 O HETATM 2843 O HOH 67 -5.109 25.155 9.330 1.00 36.23 O HETATM 2844 O HOH 68 -1.106 10.450 8.382 1.00 54.36 O HETATM 2845 O HOH 69 -38.314 10.657 -10.002 1.00 38.94 O HETATM 2846 O HOH 70 -30.782 13.459 -9.576 1.00 23.05 O HETATM 2847 O HOH 71 -23.990 12.931 22.452 1.00 35.88 O HETATM 2848 O HOH 72 -8.042 7.846 15.412 1.00 44.21 O HETATM 2849 O HOH 73 -14.069 20.438 -10.040 1.00 52.38 O HETATM 2850 O HOH 74 -41.670 20.509 9.023 1.00 28.77 O HETATM 2851 O HOH 75 -34.437 5.251 -8.593 1.00 25.35 O HETATM 2852 O HOH 76 -9.275 10.611 13.595 1.00 30.48 O HETATM 2853 O HOH 77 -23.510 19.567 -13.489 1.00 35.37 O HETATM 2854 O HOH 78 -9.728 15.142 15.269 1.00 31.57 O HETATM 2855 O HOH 79 -40.326 10.609 16.725 1.00 27.63 O HETATM 2856 O HOH 80 -16.723 5.683 17.887 1.00 39.85 O HETATM 2857 O HOH 81 -24.590 13.358 -2.774 1.00 13.70 O HETATM 2858 O HOH 82 -26.748 19.973 -5.571 1.00 31.20 O HETATM 2859 O HOH 83 -6.145 12.402 -0.988 1.00 31.53 O HETATM 2860 O HOH 84 -36.715 12.257 -10.806 1.00 39.92 O HETATM 2861 O HOH 85 -9.030 1.654 11.481 1.00 26.52 O HETATM 2862 O HOH 86 -34.112 21.127 -11.367 1.00 36.45 O HETATM 2863 O HOH 87 -19.165 5.473 15.574 1.00 27.76 O HETATM 2864 O HOH 88 -19.370 19.566 -6.432 1.00 38.53 O HETATM 2865 O HOH 89 -1.303 -2.318 7.916 1.00 44.54 O HETATM 2866 O HOH 90 -43.298 28.478 8.192 1.00 35.12 O HETATM 2867 O HOH 91 -21.171 20.168 12.724 1.00 13.01 O HETATM 2868 O HOH 92 -37.909 29.193 -9.335 1.00 21.17 O HETATM 2869 O HOH 93 -27.312 -2.639 8.336 1.00 24.60 O HETATM 2870 O HOH 94 -39.531 22.064 8.729 1.00 25.46 O HETATM 2871 O HOH 95 -24.702 5.463 -3.859 1.00 12.26 O HETATM 2872 O HOH 96 -30.748 5.355 16.664 1.00 22.38 O HETATM 2873 O HOH 97 -30.428 5.844 -10.389 1.00 34.72 O HETATM 2874 O HOH 98 -32.962 27.941 8.357 1.00 36.77 O HETATM 2875 O HOH 99 1.445 11.996 5.992 1.00 33.15 O HETATM 2876 O HOH 100 -34.377 6.944 17.652 1.00 19.59 O HETATM 2877 O HOH 101 4.920 14.315 11.503 1.00 32.52 O HETATM 2878 O HOH 102 -4.780 7.255 -5.982 1.00 44.71 O HETATM 2879 O HOH 103 -31.445 17.399 -6.200 1.00 28.42 O HETATM 2880 O HOH 104 -34.332 21.564 32.515 1.00 44.10 O HETATM 2881 O HOH 105 -29.126 -3.753 3.580 1.00 40.10 O HETATM 2882 O HOH 106 -6.412 19.731 -2.962 1.00 37.21 O HETATM 2883 O HOH 107 -26.901 12.724 22.581 1.00 16.46 O HETATM 2884 O HOH 108 -23.261 32.037 25.110 1.00 26.49 O HETATM 2885 O HOH 109 -31.676 31.507 9.119 1.00 43.96 O HETATM 2886 O HOH 110 -8.793 17.756 14.466 1.00 24.38 O HETATM 2887 O HOH 111 -26.214 21.272 21.976 1.00 12.51 O HETATM 2888 O HOH 112 -22.056 31.060 7.219 1.00 46.83 O HETATM 2889 O HOH 113 -31.345 24.710 3.820 1.00 47.64 O HETATM 2890 O HOH 114 -2.950 21.274 2.608 1.00 37.22 O HETATM 2891 O HOH 115 -8.894 27.253 3.127 1.00 41.33 O HETATM 2892 O HOH 116 -35.487 24.441 9.369 1.00 37.74 O HETATM 2893 O HOH 117 -16.066 34.203 24.249 1.00 44.36 O HETATM 2894 O HOH 118 -21.446 35.564 22.130 1.00 31.02 O HETATM 2895 O HOH 119 -34.707 0.512 -4.541 1.00 51.78 O HETATM 2896 O HOH 120 -1.558 9.903 3.038 1.00 36.42 O HETATM 2897 O HOH 121 -14.929 9.511 19.156 1.00 25.17 O HETATM 2898 O HOH 122 -28.768 28.213 25.571 1.00 23.12 O HETATM 2899 O HOH 123 -12.500 8.241 16.490 1.00 47.67 O HETATM 2900 O HOH 124 -31.936 23.042 -10.216 1.00 35.32 O HETATM 2901 O HOH 125 -16.554 21.316 -1.451 1.00 29.34 O HETATM 2902 O HOH 126 -28.786 34.391 19.481 1.00 38.93 O HETATM 2903 O HOH 127 -8.971 22.092 -1.455 1.00 36.35 O HETATM 2904 O HOH 128 -26.457 2.622 -5.832 1.00 16.76 O HETATM 2905 O HOH 129 -26.424 7.214 23.406 1.00 29.90 O HETATM 2906 O HOH 130 -13.030 -2.582 7.945 1.00 31.85 O HETATM 2907 O HOH 131 -16.242 -2.604 10.845 1.00 48.21 O HETATM 2908 O HOH 132 -14.527 20.779 -4.013 1.00 29.83 O HETATM 2909 O HOH 133 -31.749 -1.124 -2.233 1.00 36.85 O HETATM 2910 O HOH 134 -19.221 18.776 22.685 1.00 17.67 O HETATM 2911 O HOH 135 -30.824 33.380 10.617 1.00 25.71 O HETATM 2912 O HOH 136 -14.214 0.929 -7.800 1.00 45.57 O HETATM 2913 O HOH 137 -5.705 27.941 10.614 1.00 58.13 O HETATM 2914 O HOH 138 -30.689 17.679 -8.702 1.00 34.91 O HETATM 2915 O HOH 139 -29.773 8.910 -3.823 1.00 11.83 O HETATM 2916 O HOH 140 -34.567 15.954 6.040 1.00 21.84 O HETATM 2917 O HOH 141 -7.107 25.570 4.085 1.00 41.45 O HETATM 2918 O HOH 142 -33.580 24.362 26.110 1.00 25.05 O HETATM 2919 O HOH 143 -20.211 17.227 7.597 1.00 15.22 O HETATM 2920 O HOH 144 -23.653 13.757 -5.323 1.00 12.61 O HETATM 2921 O HOH 145 -18.763 15.506 9.313 1.00 13.78 O HETATM 2922 O HOH 146 -40.517 18.101 2.193 1.00 36.48 O HETATM 2923 O HOH 147 -28.668 -2.151 11.087 1.00 27.29 O HETATM 2924 O HOH 148 -31.600 15.844 36.240 1.00 19.42 O HETATM 2925 O HOH 149 -19.773 18.963 0.738 1.00 31.86 O HETATM 2926 O HOH 150 -32.279 15.812 8.930 1.00 25.99 O HETATM 2927 O HOH 151 -24.678 29.780 8.964 1.00 22.28 O HETATM 2928 O HOH 152 -0.532 21.166 3.825 1.00 29.90 O HETATM 2929 O HOH 153 -24.585 39.268 14.689 1.00 31.80 O HETATM 2930 O HOH 154 -2.847 23.115 15.882 1.00 51.72 O HETATM 2931 O HOH 155 -6.101 26.538 6.571 1.00 35.34 O HETATM 2932 O HOH 156 -7.773 14.091 16.803 1.00 36.52 O HETATM 2933 O HOH 157 -14.806 19.328 -6.604 1.00 40.83 O HETATM 2934 O HOH 158 -21.785 35.080 10.167 1.00 28.86 O HETATM 2935 O HOH 159 -13.661 30.738 21.501 1.00 38.20 O HETATM 2936 O HOH 160 -15.474 11.576 -9.265 1.00 31.25 O HETATM 2937 O HOH 161 -41.603 14.325 6.746 1.00 28.07 O HETATM 2938 O HOH 162 -2.277 25.085 9.879 1.00 29.81 O HETATM 2939 O HOH 163 -36.417 26.905 20.947 1.00 28.28 O HETATM 2940 O HOH 164 -8.853 12.392 -8.770 1.00 36.49 O HETATM 2941 O HOH 165 -29.879 22.079 4.554 1.00 33.56 O HETATM 2942 O HOH 166 -1.426 24.766 12.457 1.00 34.90 O HETATM 2943 O HOH 167 -41.709 8.322 12.261 1.00 37.11 O HETATM 2944 O HOH 168 -14.478 15.403 21.035 1.00 20.69 O HETATM 2945 O HOH 169 -27.650 3.695 18.317 1.00 42.80 O HETATM 2946 O HOH 170 -7.717 23.691 0.597 1.00 39.89 O HETATM 2947 O HOH 171 -35.286 13.773 28.908 1.00 33.23 O HETATM 2948 O HOH 172 -9.748 17.940 17.003 1.00 32.29 O HETATM 2949 O HOH 173 -31.364 26.066 7.462 1.00 24.73 O HETATM 2950 O HOH 174 -3.204 20.744 -1.019 1.00 41.11 O HETATM 2951 O HOH 175 -28.501 34.768 11.205 1.00 27.20 O HETATM 2952 O HOH 176 -41.112 10.488 13.850 1.00 36.82 O HETATM 2953 O HOH 177 -38.248 20.110 27.026 1.00 48.01 O HETATM 2954 O HOH 178 -27.946 7.114 -10.341 1.00 29.28 O HETATM 2955 O HOH 179 -24.223 19.134 30.829 1.00 23.37 O HETATM 2956 O HOH 180 -24.691 23.111 30.250 1.00 40.33 O HETATM 2957 O HOH 181 -45.598 15.502 19.130 1.00 45.79 O HETATM 2958 O HOH 182 -32.736 10.604 -13.767 1.00 57.12 O HETATM 2959 O HOH 183 -9.811 2.943 15.498 1.00 51.95 O HETATM 2960 O HOH 184 -4.913 30.695 17.133 1.00 41.96 O HETATM 2961 O HOH 185 -21.913 30.568 3.186 1.00 46.71 O HETATM 2962 O HOH 186 -23.637 4.627 17.316 1.00 41.45 O HETATM 2963 O HOH 187 -27.037 -1.085 -6.405 1.00 37.55 O HETATM 2964 O HOH 188 -33.950 13.476 33.219 1.00 51.81 O HETATM 2965 O HOH 189 -24.580 39.044 19.994 1.00 43.62 O HETATM 2966 O HOH 190 -7.179 29.861 5.472 1.00 50.19 O HETATM 2967 O HOH 191 -30.610 27.815 5.626 1.00 32.55 O HETATM 2968 O HOH 192 -22.275 30.837 10.477 1.00 31.24 O HETATM 2969 O HOH 193 -2.966 -1.600 11.464 1.00 51.97 O HETATM 2970 O HOH 194 -13.028 -1.973 -6.978 1.00 48.90 O HETATM 2971 O HOH 195 -43.720 12.422 10.705 1.00 52.49 O HETATM 2972 O HOH 196 -41.353 16.958 6.739 1.00 47.94 O HETATM 2973 O HOH 197 -38.236 1.095 -7.322 1.00 52.31 O HETATM 2974 O HOH 198 0.000 18.393 0.000 1.00 52.70 O HETATM 2975 O HOH 199 -34.151 26.037 8.369 1.00 43.90 O HETATM 2976 O HOH 200 -23.847 29.466 2.102 1.00 49.15 O HETATM 2977 O HOH 201 -13.957 24.972 21.814 1.00 51.53 O HETATM 2978 O HOH 202 -15.032 31.445 0.601 1.00 50.86 O HETATM 2979 O HOH 203 -29.962 28.424 19.807 1.00 33.27 O HETATM 2980 O HOH 204 -34.785 23.069 11.268 1.00 37.70 O HETATM 2981 O HOH 205 -39.620 23.827 23.926 1.00 48.32 O HETATM 2982 O HOH 206 -29.532 27.599 -6.172 1.00 36.46 O HETATM 2983 O HOH 207 -30.442 27.326 27.635 1.00 37.98 O HETATM 2984 O HOH 208 0.000 16.017 0.000 1.00 47.63 O HETATM 2985 O HOH 209 -31.199 22.542 6.424 1.00 42.88 O HETATM 2986 O HOH 210 -50.643 28.254 9.981 1.00 59.56 O HETATM 2987 O HOH 211 -32.640 -1.206 2.803 1.00 41.69 O HETATM 2988 O HOH 212 -26.382 33.715 27.664 1.00 40.27 O HETATM 2989 O HOH 213 -33.448 17.698 7.834 1.00 36.43 O HETATM 2990 O HOH 214 -25.341 -3.048 9.561 1.00 39.28 O HETATM 2991 O HOH 215 -31.189 35.486 20.352 1.00 47.90 O HETATM 2992 O HOH 216 -23.080 34.544 24.147 1.00 41.67 O HETATM 2993 O HOH 217 -16.192 12.782 21.573 1.00 46.91 O HETATM 2994 O HOH 218 -11.416 12.490 18.131 1.00 46.88 O HETATM 2995 O HOH 219 -43.084 12.395 13.583 1.00 46.87 O HETATM 2996 O HOH 220 -21.507 21.240 29.980 1.00 52.07 O HETATM 2997 O HOH 221 -29.331 23.167 2.100 1.00 45.98 O HETATM 2998 O HOH 222 -14.705 3.498 17.789 1.00 49.76 O HETATM 2999 O HOH 223 -18.101 14.393 23.148 1.00 39.93 O HETATM 3000 O HOH 224 -18.686 21.232 1.105 1.00 44.47 O HETATM 3001 O HOH 225 -39.909 13.272 -9.889 1.00 53.01 O HETATM 3002 O HOH 226 -26.401 40.436 18.109 1.00 36.32 O HETATM 3003 O HOH 227 -40.731 5.478 -5.033 1.00 49.18 O HETATM 3004 O HOH 228 -44.138 6.173 -3.757 1.00 52.88 O HETATM 3005 O HOH 229 -25.618 2.004 -8.203 1.00 37.71 O HETATM 3006 O HOH 230 -11.064 1.471 14.819 1.00 52.02 O HETATM 3007 O HOH 231 -22.877 7.565 18.925 1.00 29.49 O HETATM 3008 O HOH 232 -30.321 26.931 3.239 1.00 38.72 O HETATM 3009 O HOH 233 -42.336 18.553 7.887 1.00 47.28 O HETATM 3010 O HOH 234 -38.097 16.371 26.394 1.00 54.35 O HETATM 3011 O HOH 235 -39.268 7.424 -10.700 1.00 57.74 O HETATM 3012 O HOH 236 -18.877 -3.119 11.307 1.00 31.37 O HETATM 3013 O HOH 237 -13.755 24.888 27.027 1.00 39.67 O HETATM 3014 O HOH 238 -9.041 1.024 14.285 1.00 52.77 O HETATM 3015 O HOH 239 -24.888 31.327 26.903 1.00 43.72 O HETATM 3016 O HOH 240 -38.601 5.422 -9.582 1.00 46.18 O HETATM 3017 O HOH 241 -39.414 4.287 20.676 1.00 38.94 O HETATM 3018 O HOH 242 4.090 25.887 7.974 1.00 56.66 O HETATM 3019 O HOH 243 -22.268 23.349 30.167 1.00 52.30 O HETATM 3020 O HOH 244 -20.224 19.371 29.435 1.00 47.66 O HETATM 3021 O HOH 245 -15.534 7.016 19.183 1.00 41.91 O HETATM 3022 O HOH 246 -46.502 28.261 13.414 1.00 48.58 O HETATM 3023 O HOH 247 -0.689 21.105 -1.233 1.00 45.10 O HETATM 3024 O HOH 248 -41.829 10.771 19.477 1.00 52.40 O HETATM 3025 O HOH 249 -24.896 35.808 27.833 1.00 27.02 O HETATM 3026 O HOH 250 -30.364 2.875 16.475 1.00 43.33 O HETATM 3027 O HOH 251 -32.483 -2.708 4.814 1.00 57.97 O HETATM 3028 O HOH 252 5.417 12.517 7.210 1.00 53.96 O HETATM 3029 O HOH 253 -38.351 22.979 25.997 1.00 52.65 O HETATM 3030 O HOH 254 -19.237 10.412 20.971 1.00 30.24 O HETATM 3031 O HOH 255 -19.801 17.048 26.606 1.00 38.69 O HETATM 3032 O HOH 256 4.267 12.538 5.142 1.00 40.08 O HETATM 3033 O HOH 257 -36.928 25.285 22.807 1.00 42.94 O HETATM 3034 O HOH 258 -42.956 14.265 4.434 1.00 42.68 O HETATM 3035 O HOH 259 -26.721 26.935 -6.920 1.00 37.28 O HETATM 3036 O HOH 260 -21.674 8.392 21.022 1.00 42.76 O HETATM 3037 N12 UNN A 261 -24.596 21.878 3.567 1.00 -0.20 N HETATM 3038 C11 UNN A 261 -24.977 21.747 4.840 1.00 0.13 C HETATM 3039 N10 UNN A 261 -24.682 20.804 5.647 1.00 -0.26 N HETATM 3040 C09 UNN A 261 -24.135 19.543 5.267 1.00 0.10 C HETATM 3041 C04 UNN A 261 -23.584 18.733 6.245 1.00 0.05 C HETATM 3042 C02 UNN A 261 -23.475 19.084 7.690 1.00 0.07 C HETATM 3043 O01 UNN A 261 -22.702 18.419 8.409 1.00 -0.56 O HETATM 3044 O03 UNN A 261 -24.156 20.046 8.111 1.00 -0.56 O HETATM 3045 C05 UNN A 261 -23.082 17.489 5.871 1.00 -0.03 C HETATM 3046 C06 UNN A 261 -23.153 17.104 4.531 1.00 0.00 C HETATM 3047 N07 UNN A 261 -23.702 17.887 3.561 1.00 -0.31 N HETATM 3048 C08 UNN A 261 -24.190 19.088 3.952 1.00 0.04 C HETATM 3049 H10 UNN A 261 -24.646 19.727 3.204 1.00 0.07 H HETATM 3050 H9 UNN A 261 -22.753 16.137 4.249 1.00 0.07 H HETATM 3051 H8 UNN A 261 -22.642 16.829 6.610 1.00 0.07 H HETATM 3052 H11 UNN A 261 -24.852 20.966 6.650 1.00 0.21 H HETATM 3053 C25 UNN A 261 -25.784 22.900 5.214 1.00 0.04 C HETATM 3054 C24 UNN A 261 -25.857 23.694 4.077 1.00 0.08 C HETATM 3055 N13 UNN A 261 -25.151 23.075 3.098 1.00 -0.21 N HETATM 3056 C14 UNN A 261 -24.939 23.440 1.868 1.00 0.10 C HETATM 3057 C15 UNN A 261 -24.247 22.546 0.942 1.00 -0.00 C HETATM 3058 N16 UNN A 261 -25.151 21.897 -0.031 1.00 0.24 N HETATM 3059 C17 UNN A 261 -25.122 22.581 -1.338 1.00 -0.03 C HETATM 3060 C18 UNN A 261 -26.176 23.695 -1.457 1.00 0.05 C HETATM 3061 C19 UNN A 261 -27.573 23.193 -1.246 1.00 0.26 C HETATM 3062 C22 UNN A 261 -27.588 21.837 -0.627 1.00 0.05 C HETATM 3063 C23 UNN A 261 -26.555 21.757 0.496 1.00 -0.03 C HETATM 3064 H19 UNN A 261 -26.651 20.785 1.001 1.00 0.08 H HETATM 3065 H20 UNN A 261 -26.748 22.565 1.217 1.00 0.08 H HETATM 3066 H5 UNN A 261 -27.350 21.085 -1.394 1.00 0.04 H HETATM 3067 H6 UNN A 261 -28.588 21.637 -0.215 1.00 0.04 H HETATM 3068 F20 UNN A 261 -28.254 23.169 -2.449 1.00 -0.21 F HETATM 3069 F21 UNN A 261 -28.265 24.071 -0.450 1.00 -0.21 F HETATM 3070 H17 UNN A 261 -26.109 24.137 -2.462 1.00 0.04 H HETATM 3071 H18 UNN A 261 -25.961 24.465 -0.702 1.00 0.04 H HETATM 3072 H3 UNN A 261 -25.308 21.837 -2.127 1.00 0.08 H HETATM 3073 H4 UNN A 261 -24.125 23.025 -1.479 1.00 0.08 H HETATM 3074 H16 UNN A 261 -24.800 20.964 -0.179 1.00 0.20 H HETATM 3075 H1 UNN A 261 -23.742 21.762 1.526 1.00 0.08 H HETATM 3076 H2 UNN A 261 -23.498 23.130 0.387 1.00 0.08 H HETATM 3077 H14 UNN A 261 -25.924 23.651 1.427 1.00 0.07 H HETATM 3078 H15 UNN A 261 -24.350 24.368 1.911 1.00 0.07 H HETATM 3079 C30 UNN A 261 -26.578 24.897 4.095 1.00 -0.04 C HETATM 3080 C29 UNN A 261 -27.211 25.270 5.270 1.00 -0.04 C HETATM 3081 C27 UNN A 261 -27.113 24.449 6.379 1.00 0.12 C HETATM 3082 C26 UNN A 261 -26.408 23.256 6.402 1.00 -0.03 C HETATM 3083 H7 UNN A 261 -26.348 22.640 7.292 1.00 0.06 H HETATM 3084 F28 UNN A 261 -27.730 24.835 7.501 1.00 -0.19 F HETATM 3085 H12 UNN A 261 -27.776 26.194 5.319 1.00 0.06 H HETATM 3086 H13 UNN A 261 -26.639 25.520 3.210 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 685 686 689 690 691 CONECT 689 685 CONECT 690 685 CONECT 691 685 CONECT 1619 1620 1624 1625 1626 CONECT 1624 1619 CONECT 1625 1619 CONECT 1626 1619 CONECT 1782 1780 1781 2777 CONECT 1801 1799 2777 CONECT 2615 2613 2614 2777 CONECT 2777 1782 1801 2615 CONECT 3037 3038 3055 CONECT 3038 3037 3039 3053 CONECT 3039 3038 3040 3052 CONECT 3040 3039 3041 3048 CONECT 3041 3040 3042 3045 CONECT 3042 3041 3043 3044 CONECT 3043 3042 CONECT 3044 3042 CONECT 3045 3041 3046 3051 CONECT 3046 3045 3047 3050 CONECT 3047 3046 3048 CONECT 3048 3040 3047 3049 CONECT 3049 3048 CONECT 3050 3046 CONECT 3051 3045 CONECT 3052 3039 CONECT 3053 3038 3054 3082 CONECT 3054 3053 3055 3079 CONECT 3055 3037 3054 3056 CONECT 3056 3055 3057 3077 3078 CONECT 3057 3056 3058 3075 3076 CONECT 3058 3057 3059 3063 3074 CONECT 3059 3058 3060 3072 3073 CONECT 3060 3059 3061 3070 3071 CONECT 3061 3060 3062 3068 3069 CONECT 3062 3061 3063 3066 3067 CONECT 3063 3058 3062 3064 3065 CONECT 3064 3063 CONECT 3065 3063 CONECT 3066 3062 CONECT 3067 3062 CONECT 3068 3061 CONECT 3069 3061 CONECT 3070 3060 CONECT 3071 3060 CONECT 3072 3059 CONECT 3073 3059 CONECT 3074 3058 CONECT 3075 3057 CONECT 3076 3057 CONECT 3077 3056 CONECT 3078 3056 CONECT 3079 3054 3080 3086 CONECT 3080 3079 3081 3085 CONECT 3081 3080 3082 3084 CONECT 3082 3053 3081 3083 CONECT 3083 3082 CONECT 3084 3081 CONECT 3085 3080 CONECT 3086 3079 MASTER 0 0 0 0 0 0 0 0 3083 3 66 24 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5ivj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5isl
RCSB PDB
PDBbind
330aa, >5ISL_1|Chain... *
5ivc
RCSB PDB
PDBbind
330aa, >5IVC_1|Chain... at 100%
5ive
RCSB PDB
PDBbind
330aa, >5IVE_1|Chain... at 100%
5ivf
RCSB PDB
PDBbind
330aa, >5IVF_1|Chain... at 100%
5ivv
RCSB PDB
PDBbind
330aa, >5IVV_1|Chain... at 100%
5ivy
RCSB PDB
PDBbind
330aa, >5IVY_1|Chain... at 100%
5iw0
RCSB PDB
PDBbind
330aa, >5IW0_1|Chain... at 100%
6bgu
RCSB PDB
PDBbind
330aa, >6BGU_1|Chain... at 100%
6bgv
RCSB PDB
PDBbind
330aa, >6BGV_1|Chain... at 100%
6bgw
RCSB PDB
PDBbind
330aa, >6BGW_1|Chain... at 100%
6bgx
RCSB PDB
PDBbind
330aa, >6BGX_1|Chain... at 100%
6bgy
RCSB PDB
PDBbind
330aa, >6BGY_1|Chain... at 100%
6bgz
RCSB PDB
PDBbind
330aa, >6BGZ_1|Chain... at 100%
6bh0
RCSB PDB
PDBbind
330aa, >6BH0_1|Chain... at 100%
6bh1
RCSB PDB
PDBbind
330aa, >6BH1_1|Chain... at 100%
6bh2
RCSB PDB
PDBbind
330aa, >6BH2_1|Chain... at 100%
6bh3
RCSB PDB
PDBbind
330aa, >6BH3_1|Chain... at 100%
6bh5
RCSB PDB
PDBbind
330aa, >6BH5_1|Chain... at 100%
6dq4
RCSB PDB
PDBbind
330aa, >6DQ4_1|Chain... at 100%
6dq5
RCSB PDB
PDBbind
330aa, >6DQ5_1|Chain... at 100%
6dq6
RCSB PDB
PDBbind
330aa, >6DQ6_1|Chain... at 100%
6dq8
RCSB PDB
PDBbind
330aa, >6DQ8_1|Chain... at 100%
6dqa
RCSB PDB
PDBbind
330aa, >6DQA_1|Chain... at 100%
6dqb
RCSB PDB
PDBbind
330aa, >6DQB_1|Chain... at 100%
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
5ivj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Lysine-specific demethylase 5A, Linked KDM5A Jmj Domain
Ligand Name
6ED
EC.Number
E.C.1.14.11
Resolution
1.57(Å)
Affinity (Kd/Ki/IC50)
Kd=0.046uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Chem Biol Vol. 23: pp. 769-781
Ligand Properties
Formula
C
2
0
H
2
1
F
3
N
5
O
2
Molecular Weight
420.408
Exact Mass
420.165
No. of atoms
51
No. of bonds
54
Polar Surface Area
84.48
LOGP Value
2.49 (
Computed with XLOGP3
)
3.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
Fc1ccc2c(c1)c(Nc1cnccc1C(=O)O)nn2CC[NH+]1CCC(CC1)(F)F
InChI String
InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P29375
Entrez Gene ID
NCBI Entrez Gene ID:
5927
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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